NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1958 | 1b9r | cing | 1-original | 10 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 2H PRO 1 2H PRO 1 4.198 15.038 -5.250 2 1H PRO 1 1H PRO 1 4.941 13.585 -5.489 3 HA PRO 1 HA PRO 1 4.741 15.066 -3.249 4 1HB PRO 1 1HB PRO 1 3.784 12.327 -2.633 5 2HB PRO 1 2HB PRO 1 3.470 13.835 -1.807 6 1HG PRO 1 1HG PRO 1 1.596 12.880 -3.272 7 2HG PRO 1 2HG PRO 1 2.009 14.595 -3.466 8 1HD PRO 1 1HD PRO 1 2.991 12.260 -5.117 9 2HD PRO 1 2HD PRO 1 2.167 13.713 -5.685 10 H ARG 2 H ARG 2 5.483 13.339 -1.426 11 HA ARG 2 HA ARG 2 7.939 12.064 -2.493 12 1HB ARG 2 1HB ARG 2 8.592 13.892 -1.102 13 2HB ARG 2 2HB ARG 2 7.375 13.500 0.103 14 1HG ARG 2 1HG ARG 2 9.445 11.462 -0.458 15 2HG ARG 2 2HG ARG 2 9.917 12.916 0.406 16 1HD ARG 2 1HD ARG 2 7.872 12.435 1.894 17 2HD ARG 2 2HD ARG 2 7.966 10.810 1.215 18 HE ARG 2 HE ARG 2 10.488 11.256 2.061 19 1HH1 ARG 2 1HH1 ARG 2 7.379 11.570 3.597 20 2HH1 ARG 2 2HH1 ARG 2 7.982 11.210 5.180 21 1HH2 ARG 2 1HH2 ARG 2 11.291 10.788 4.140 22 2HH2 ARG 2 2HH2 ARG 2 10.205 10.767 5.489 23 H VAL 3 H VAL 3 8.560 9.980 -1.244 24 HA VAL 3 HA VAL 3 6.406 9.010 0.403 25 HB VAL 3 HB VAL 3 6.666 8.305 -2.419 26 1HG1 VAL 3 1HG1 VAL 3 7.438 6.230 -1.090 27 2HG1 VAL 3 2HG1 VAL 3 5.736 6.119 -0.646 28 3HG1 VAL 3 3HG1 VAL 3 6.210 6.101 -2.354 29 1HG2 VAL 3 1HG2 VAL 3 4.705 8.808 -0.393 30 2HG2 VAL 3 2HG2 VAL 3 4.601 8.987 -2.149 31 3HG2 VAL 3 3HG2 VAL 3 4.304 7.415 -1.400 32 H VAL 4 H VAL 4 6.754 6.736 1.083 33 HA VAL 4 HA VAL 4 9.485 5.842 0.969 34 HB VAL 4 HB VAL 4 8.395 6.977 3.514 35 1HG1 VAL 4 1HG1 VAL 4 9.939 4.527 3.198 36 2HG1 VAL 4 2HG1 VAL 4 10.774 5.731 4.184 37 3HG1 VAL 4 3HG1 VAL 4 9.157 5.189 4.637 38 1HG2 VAL 4 1HG2 VAL 4 10.723 7.342 1.721 39 2HG2 VAL 4 2HG2 VAL 4 9.762 8.547 2.584 40 3HG2 VAL 4 3HG2 VAL 4 10.979 7.604 3.447 41 H PHE 5 H PHE 5 9.244 3.911 0.451 42 HA PHE 5 HA PHE 5 7.051 2.247 1.440 43 1HB PHE 5 1HB PHE 5 9.207 1.937 -0.623 44 2HB PHE 5 2HB PHE 5 8.221 0.578 -0.123 45 HD1 PHE 5 HD1 PHE 5 6.837 4.026 -0.550 46 HD2 PHE 5 HD2 PHE 5 7.350 0.143 -2.205 47 HE1 PHE 5 HE1 PHE 5 5.281 4.577 -2.351 48 HE2 PHE 5 HE2 PHE 5 5.779 0.665 -3.964 49 HZ PHE 5 HZ PHE 5 4.713 2.882 -4.056 50 H ILE 6 H ILE 6 7.738 -0.060 1.940 51 HA ILE 6 HA ILE 6 10.301 -0.397 3.194 52 HB ILE 6 HB ILE 6 7.872 -1.050 4.803 53 1HG1 ILE 6 1HG1 ILE 6 7.921 1.409 4.126 54 2HG1 ILE 6 2HG1 ILE 6 7.889 1.082 5.854 55 1HG2 ILE 6 1HG2 ILE 6 10.792 -0.798 5.180 56 2HG2 ILE 6 2HG2 ILE 6 9.733 -0.520 6.563 57 3HG2 ILE 6 3HG2 ILE 6 9.692 -2.064 5.710 58 1HD1 ILE 6 1HD1 ILE 6 10.577 1.265 4.849 59 2HD1 ILE 6 2HD1 ILE 6 9.642 2.715 4.496 60 3HD1 ILE 6 3HD1 ILE 6 9.800 2.149 6.160 61 H ASP 7 H ASP 7 10.590 -2.704 3.886 62 HA ASP 7 HA ASP 7 8.713 -4.676 3.163 63 1HB ASP 7 1HB ASP 7 9.026 -4.442 0.926 64 2HB ASP 7 2HB ASP 7 10.664 -3.836 1.095 65 H GLU 8 H GLU 8 9.770 -6.867 3.051 66 HA GLU 8 HA GLU 8 11.547 -7.058 5.335 67 1HB GLU 8 1HB GLU 8 9.343 -8.490 4.509 68 2HB GLU 8 2HB GLU 8 10.678 -9.568 4.138 69 1HG GLU 8 1HG GLU 8 10.785 -8.311 6.789 70 2HG GLU 8 2HG GLU 8 9.441 -9.422 6.531 71 H GLN 9 H GLN 9 12.327 -6.508 2.346 72 HA GLN 9 HA GLN 9 14.455 -8.541 2.231 73 1HB GLN 9 1HB GLN 9 13.398 -6.863 -0.055 74 2HB GLN 9 2HB GLN 9 14.607 -8.131 -0.163 75 1HG GLN 9 1HG GLN 9 11.943 -8.829 0.944 76 2HG GLN 9 2HG GLN 9 12.090 -8.561 -0.792 77 1HE2 GLN 9 2HE2 GLN 9 11.330 -10.977 -0.153 78 2HE2 GLN 9 1HE2 GLN 9 12.609 -12.130 -0.292 79 H SER 10 H SER 10 13.643 -5.154 2.086 80 HA SER 10 HA SER 10 16.499 -4.503 2.400 81 1HB SER 10 1HB SER 10 15.216 -3.806 0.195 82 2HB SER 10 2HB SER 10 14.620 -2.499 1.219 83 HG SER 10 HG SER 10 17.299 -2.865 1.492 84 H GLY 11 H GLY 11 13.343 -4.317 3.674 85 1HA GLY 11 1HA GLY 11 12.558 -3.411 5.632 86 2HA GLY 11 2HA GLY 11 14.225 -3.092 6.060 87 H GLU 12 H GLU 12 13.161 -1.757 3.119 88 HA GLU 12 HA GLU 12 11.855 0.543 3.771 89 1HB GLU 12 1HB GLU 12 13.374 1.452 5.222 90 2HB GLU 12 2HB GLU 12 14.754 0.714 4.419 91 1HG GLU 12 1HG GLU 12 14.516 2.317 2.573 92 2HG GLU 12 2HG GLU 12 13.170 3.074 3.422 93 H TYR 13 H TYR 13 11.539 1.869 2.086 94 HA TYR 13 HA TYR 13 13.197 1.669 -0.279 95 1HB TYR 13 1HB TYR 13 10.370 0.695 -0.109 96 2HB TYR 13 2HB TYR 13 11.098 1.167 -1.643 97 HD1 TYR 13 HD1 TYR 13 11.486 -1.087 1.261 98 HD2 TYR 13 HD2 TYR 13 12.469 -0.319 -2.795 99 HE1 TYR 13 HE1 TYR 13 12.492 -3.336 1.096 100 HE2 TYR 13 HE2 TYR 13 13.461 -2.545 -3.001 101 HH TYR 13 HH TYR 13 13.060 -4.975 -0.631 102 H ALA 14 H ALA 14 13.268 3.887 0.938 103 HA ALA 14 HA ALA 14 11.228 5.746 0.827 104 1HB ALA 14 1HB ALA 14 14.200 6.136 0.531 105 2HB ALA 14 2HB ALA 14 13.051 7.463 0.709 106 3HB ALA 14 3HB ALA 14 13.234 6.275 2.000 107 H VAL 15 H VAL 15 10.287 6.942 -0.684 108 HA VAL 15 HA VAL 15 11.468 7.322 -3.286 109 HB VAL 15 HB VAL 15 10.376 5.034 -3.228 110 1HG1 VAL 15 1HG1 VAL 15 7.895 6.716 -3.143 111 2HG1 VAL 15 2HG1 VAL 15 7.929 5.102 -3.888 112 3HG1 VAL 15 3HG1 VAL 15 8.326 5.292 -2.186 113 1HG2 VAL 15 1HG2 VAL 15 10.447 7.043 -5.260 114 2HG2 VAL 15 2HG2 VAL 15 10.681 5.302 -5.403 115 3HG2 VAL 15 3HG2 VAL 15 9.054 5.980 -5.491 116 H ASP 16 H ASP 16 9.033 7.828 -4.549 117 HA ASP 16 HA ASP 16 7.640 9.862 -3.109 118 1HB ASP 16 1HB ASP 16 8.904 10.624 -5.679 119 2HB ASP 16 2HB ASP 16 8.264 11.670 -4.419 120 H ALA 17 H ALA 17 5.935 10.720 -4.443 121 HA ALA 17 HA ALA 17 5.294 9.090 -6.773 122 1HB ALA 17 1HB ALA 17 4.423 8.423 -4.330 123 2HB ALA 17 2HB ALA 17 3.119 9.513 -4.868 124 3HB ALA 17 3HB ALA 17 3.538 8.082 -5.834 125 H GLN 18 H GLN 18 2.957 9.897 -7.502 126 HA GLN 18 HA GLN 18 2.855 12.824 -7.353 127 1HB GLN 18 1HB GLN 18 2.695 11.206 -9.903 128 2HB GLN 18 2HB GLN 18 2.440 12.942 -9.779 129 1HG GLN 18 1HG GLN 18 5.000 11.607 -8.967 130 2HG GLN 18 2HG GLN 18 4.695 12.201 -10.598 131 1HE2 GLN 18 2HE2 GLN 18 6.624 13.504 -10.074 132 2HE2 GLN 18 1HE2 GLN 18 6.389 15.019 -9.277 133 H ASP 19 H ASP 19 0.820 13.634 -7.187 134 HA ASP 19 HA ASP 19 -1.258 12.110 -6.350 135 1HB ASP 19 1HB ASP 19 -1.840 14.511 -8.012 136 2HB ASP 19 2HB ASP 19 -2.684 13.941 -6.596 137 H GLY 20 H GLY 20 -2.124 10.427 -7.174 138 1HA GLY 20 1HA GLY 20 -3.787 9.719 -8.883 139 2HA GLY 20 2HA GLY 20 -2.671 10.381 -10.072 140 H GLN 21 H GLN 21 -0.637 9.177 -7.859 141 HA GLN 21 HA GLN 21 -0.538 6.562 -9.210 142 1HB GLN 21 1HB GLN 21 1.621 8.225 -7.915 143 2HB GLN 21 2HB GLN 21 1.860 6.552 -8.401 144 1HG GLN 21 1HG GLN 21 1.727 7.052 -10.656 145 2HG GLN 21 2HG GLN 21 0.880 8.567 -10.367 146 1HE2 GLN 21 2HE2 GLN 21 3.478 7.994 -8.273 147 2HE2 GLN 21 1HE2 GLN 21 4.622 9.034 -9.026 148 H SER 22 H SER 22 -0.213 4.693 -7.991 149 HA SER 22 HA SER 22 -1.164 4.912 -5.245 150 1HB SER 22 1HB SER 22 -2.038 2.823 -5.541 151 2HB SER 22 2HB SER 22 -1.804 3.179 -7.250 152 HG SER 22 HG SER 22 -0.737 1.334 -7.061 153 H LEU 23 H LEU 23 -0.151 3.213 -3.689 154 HA LEU 23 HA LEU 23 2.719 3.755 -3.613 155 1HB LEU 23 1HB LEU 23 0.867 2.410 -1.642 156 2HB LEU 23 2HB LEU 23 2.583 2.644 -1.377 157 HG LEU 23 HG LEU 23 2.052 4.563 -0.374 158 1HD1 LEU 23 1HD1 LEU 23 2.775 5.414 -2.592 159 2HD1 LEU 23 2HD1 LEU 23 1.079 5.514 -3.063 160 3HD1 LEU 23 3HD1 LEU 23 1.685 6.503 -1.734 161 1HD2 LEU 23 1HD2 LEU 23 -0.456 3.550 -0.756 162 2HD2 LEU 23 2HD2 LEU 23 -0.075 5.007 0.160 163 3HD2 LEU 23 3HD2 LEU 23 -0.574 5.132 -1.527 164 H MET 24 H MET 24 1.052 1.625 -5.263 165 HA MET 24 HA MET 24 2.785 -0.666 -4.668 166 1HB MET 24 1HB MET 24 1.021 -1.975 -5.123 167 2HB MET 24 2HB MET 24 0.042 -0.519 -5.185 168 1HG MET 24 1HG MET 24 -0.474 -1.542 -7.175 169 2HG MET 24 2HG MET 24 0.794 -0.417 -7.661 170 1HE MET 24 1HE MET 24 -0.271 -2.501 -9.286 171 2HE MET 24 2HE MET 24 1.017 -3.532 -9.908 172 3HE MET 24 3HE MET 24 -0.088 -4.146 -8.678 173 H GLU 25 H GLU 25 1.934 1.739 -6.994 174 HA GLU 25 HA GLU 25 3.533 0.584 -9.114 175 1HB GLU 25 1HB GLU 25 2.406 3.374 -9.097 176 2HB GLU 25 2HB GLU 25 2.769 2.351 -10.480 177 1HG GLU 25 1HG GLU 25 0.742 1.320 -8.610 178 2HG GLU 25 2HG GLU 25 0.298 2.758 -9.527 179 H VAL 26 H VAL 26 3.839 3.234 -6.754 180 HA VAL 26 HA VAL 26 6.110 4.409 -7.817 181 HB VAL 26 HB VAL 26 6.407 3.914 -4.931 182 1HG1 VAL 26 1HG1 VAL 26 7.627 5.479 -6.461 183 2HG1 VAL 26 2HG1 VAL 26 6.173 6.461 -6.472 184 3HG1 VAL 26 3HG1 VAL 26 7.023 6.174 -4.963 185 1HG2 VAL 26 1HG2 VAL 26 3.923 4.047 -5.185 186 2HG2 VAL 26 2HG2 VAL 26 4.687 5.272 -4.173 187 3HG2 VAL 26 3HG2 VAL 26 4.168 5.680 -5.808 188 H ALA 27 H ALA 27 5.843 1.768 -5.569 189 HA ALA 27 HA ALA 27 8.192 0.816 -5.032 190 1HB ALA 27 1HB ALA 27 5.696 -0.425 -5.466 191 2HB ALA 27 2HB ALA 27 6.929 -1.447 -6.207 192 3HB ALA 27 3HB ALA 27 7.048 -1.015 -4.498 193 H THR 28 H THR 28 6.773 -0.547 -7.947 194 HA THR 28 HA THR 28 9.049 -1.595 -9.037 195 HB THR 28 HB THR 28 7.800 -2.059 -10.859 196 HG1 THR 28 HG1 THR 28 8.034 -0.031 -11.796 197 1HG2 THR 28 1HG2 THR 28 6.154 -2.090 -8.875 198 2HG2 THR 28 2HG2 THR 28 5.455 -0.673 -9.659 199 3HG2 THR 28 3HG2 THR 28 5.534 -2.210 -10.522 200 H GLN 29 H GLN 29 7.934 1.704 -9.052 201 HA GLN 29 HA GLN 29 9.917 2.609 -10.927 202 1HB GLN 29 1HB GLN 29 8.351 4.263 -8.944 203 2HB GLN 29 2HB GLN 29 9.197 4.854 -10.366 204 1HG GLN 29 1HG GLN 29 7.595 3.180 -11.607 205 2HG GLN 29 2HG GLN 29 6.614 3.404 -10.159 206 1HE2 GLN 29 2HE2 GLN 29 6.565 5.854 -9.506 207 2HE2 GLN 29 1HE2 GLN 29 6.135 6.922 -10.794 208 H ASN 30 H ASN 30 9.679 2.262 -7.480 209 HA ASN 30 HA ASN 30 12.185 3.646 -6.990 210 1HB ASN 30 1HB ASN 30 11.035 2.107 -4.780 211 2HB ASN 30 2HB ASN 30 11.475 3.796 -4.840 212 1HD2 ASN 30 2HD2 ASN 30 9.039 2.359 -3.841 213 2HD2 ASN 30 1HD2 ASN 30 7.729 3.096 -4.618 214 H GLY 31 H GLY 31 11.570 0.739 -8.248 215 1HA GLY 31 1HA GLY 31 12.951 -1.105 -8.541 216 2HA GLY 31 2HA GLY 31 14.103 -0.368 -7.434 217 H VAL 32 H VAL 32 11.150 -0.314 -6.002 218 HA VAL 32 HA VAL 32 11.710 -1.997 -3.897 219 HB VAL 32 HB VAL 32 8.968 -1.369 -4.918 220 1HG1 VAL 32 1HG1 VAL 32 9.208 -2.851 -2.907 221 2HG1 VAL 32 2HG1 VAL 32 9.856 -1.433 -2.072 222 3HG1 VAL 32 3HG1 VAL 32 8.211 -1.402 -2.721 223 1HG2 VAL 32 1HG2 VAL 32 10.962 0.401 -3.586 224 2HG2 VAL 32 2HG2 VAL 32 9.981 0.713 -5.020 225 3HG2 VAL 32 3HG2 VAL 32 9.228 0.685 -3.424 226 HA PRO 33 HA PRO 33 11.294 -6.238 -4.884 227 1HB PRO 33 1HB PRO 33 9.031 -6.444 -3.043 228 2HB PRO 33 2HB PRO 33 10.627 -7.186 -2.932 229 1HG PRO 33 1HG PRO 33 9.646 -4.788 -1.626 230 2HG PRO 33 2HG PRO 33 11.174 -5.634 -1.369 231 1HD PRO 33 1HD PRO 33 10.971 -3.164 -2.498 232 2HD PRO 33 2HD PRO 33 12.298 -4.281 -2.818 233 H GLY 34 H GLY 34 8.510 -4.139 -4.867 234 1HA GLY 34 1HA GLY 34 6.527 -4.190 -6.048 235 2HA GLY 34 2HA GLY 34 7.556 -4.758 -7.358 236 H ILE 35 H ILE 35 7.068 -6.472 -4.374 237 HA ILE 35 HA ILE 35 6.434 -8.901 -5.657 238 HB ILE 35 HB ILE 35 5.995 -8.069 -2.789 239 1HG1 ILE 35 1HG1 ILE 35 8.151 -9.791 -4.029 240 2HG1 ILE 35 2HG1 ILE 35 8.349 -8.087 -3.635 241 1HG2 ILE 35 1HG2 ILE 35 5.779 -10.773 -4.096 242 2HG2 ILE 35 2HG2 ILE 35 5.912 -10.529 -2.354 243 3HG2 ILE 35 3HG2 ILE 35 4.520 -9.891 -3.230 244 1HD1 ILE 35 1HD1 ILE 35 7.747 -8.735 -1.253 245 2HD1 ILE 35 2HD1 ILE 35 7.990 -10.403 -1.771 246 3HD1 ILE 35 3HD1 ILE 35 9.321 -9.250 -1.859 247 H VAL 36 H VAL 36 4.723 -8.200 -7.104 248 HA VAL 36 HA VAL 36 2.139 -8.813 -6.021 249 HB VAL 36 HB VAL 36 1.824 -6.601 -5.462 250 1HG1 VAL 36 1HG1 VAL 36 4.020 -6.125 -7.118 251 2HG1 VAL 36 2HG1 VAL 36 2.721 -5.118 -7.755 252 3HG1 VAL 36 3HG1 VAL 36 3.201 -4.973 -6.064 253 1HG2 VAL 36 1HG2 VAL 36 0.383 -7.519 -7.583 254 2HG2 VAL 36 2HG2 VAL 36 0.040 -6.035 -6.695 255 3HG2 VAL 36 3HG2 VAL 36 0.970 -5.971 -8.192 256 H ALA 37 H ALA 37 2.586 -6.774 -8.858 257 HA ALA 37 HA ALA 37 1.921 -7.165 -11.024 258 1HB ALA 37 1HB ALA 37 4.337 -8.168 -10.607 259 2HB ALA 37 2HB ALA 37 3.512 -9.674 -11.008 260 3HB ALA 37 3HB ALA 37 3.516 -8.339 -12.159 261 H GLU 38 H GLU 38 -0.104 -7.976 -9.461 262 HA GLU 38 HA GLU 38 -0.830 -10.697 -10.230 263 1HB GLU 38 1HB GLU 38 -2.161 -8.706 -8.389 264 2HB GLU 38 2HB GLU 38 -2.789 -10.313 -8.726 265 1HG GLU 38 1HG GLU 38 -1.447 -11.232 -7.225 266 2HG GLU 38 2HG GLU 38 -0.031 -10.446 -7.919 267 H CYS 39 H CYS 39 -2.938 -7.859 -9.936 268 HA CYS 39 HA CYS 39 -4.063 -8.544 -12.564 269 1HB CYS 39 1HB CYS 39 -6.123 -7.592 -11.858 270 2HB CYS 39 2HB CYS 39 -5.553 -8.577 -10.515 271 H GLY 40 H GLY 40 -2.221 -6.209 -10.925 272 1HA GLY 40 1HA GLY 40 -1.210 -4.297 -11.727 273 2HA GLY 40 2HA GLY 40 -1.957 -4.614 -13.285 274 H GLY 41 H GLY 41 -3.902 -4.386 -10.409 275 1HA GLY 41 1HA GLY 41 -5.102 -2.551 -9.562 276 2HA GLY 41 2HA GLY 41 -4.556 -1.592 -10.929 277 H SER 42 H SER 42 -5.565 -4.419 -12.232 278 HA SER 42 HA SER 42 -7.813 -3.330 -13.484 279 1HB SER 42 1HB SER 42 -6.341 -5.483 -14.001 280 2HB SER 42 2HB SER 42 -7.649 -6.290 -13.136 281 HG SER 42 HG SER 42 -7.649 -5.589 -15.639 282 H CYS 43 H CYS 43 -7.457 -4.599 -10.353 283 HA CYS 43 HA CYS 43 -8.924 -4.765 -8.616 284 1HB CYS 43 1HB CYS 43 -10.118 -2.899 -10.222 285 2HB CYS 43 2HB CYS 43 -11.368 -4.135 -10.127 286 HG CYS 43 HG CYS 43 -10.224 -3.090 -7.458 287 H VAL 44 H VAL 44 -8.258 -7.024 -10.030 288 HA VAL 44 HA VAL 44 -10.771 -8.562 -9.956 289 HB VAL 44 HB VAL 44 -9.770 -8.334 -12.257 290 1HG1 VAL 44 1HG1 VAL 44 -7.444 -9.261 -10.829 291 2HG1 VAL 44 2HG1 VAL 44 -7.823 -10.333 -12.177 292 3HG1 VAL 44 3HG1 VAL 44 -7.573 -8.611 -12.463 293 1HG2 VAL 44 1HG2 VAL 44 -11.108 -10.378 -11.147 294 2HG2 VAL 44 2HG2 VAL 44 -10.598 -10.361 -12.835 295 3HG2 VAL 44 3HG2 VAL 44 -9.635 -11.219 -11.631 296 H CYS 45 H CYS 45 -7.750 -8.086 -8.578 297 HA CYS 45 HA CYS 45 -7.812 -10.783 -7.401 298 1HB CYS 45 1HB CYS 45 -5.557 -11.027 -7.579 299 2HB CYS 45 2HB CYS 45 -5.787 -9.931 -8.934 300 H ALA 46 H ALA 46 -6.638 -10.839 -5.232 301 HA ALA 46 HA ALA 46 -6.907 -8.374 -3.700 302 1HB ALA 46 1HB ALA 46 -9.022 -10.099 -3.748 303 2HB ALA 46 2HB ALA 46 -8.138 -10.641 -2.321 304 3HB ALA 46 3HB ALA 46 -8.667 -8.963 -2.446 305 H THR 47 H THR 47 -4.590 -9.721 -4.447 306 HA THR 47 HA THR 47 -3.720 -10.991 -1.938 307 HB THR 47 HB THR 47 -1.729 -11.631 -3.611 308 HG1 THR 47 HG1 THR 47 -2.268 -11.145 -5.566 309 1HG2 THR 47 1HG2 THR 47 -4.046 -12.983 -2.648 310 2HG2 THR 47 2HG2 THR 47 -3.701 -13.506 -4.295 311 3HG2 THR 47 3HG2 THR 47 -2.458 -13.636 -3.050 312 H CYS 48 H CYS 48 -3.535 -8.166 -3.703 313 HA CYS 48 HA CYS 48 -0.822 -7.425 -3.136 314 1HB CYS 48 1HB CYS 48 -1.624 -5.141 -3.839 315 2HB CYS 48 2HB CYS 48 -1.882 -6.411 -5.033 316 H ARG 49 H ARG 49 -1.668 -8.293 -0.778 317 HA ARG 49 HA ARG 49 -2.935 -6.365 0.864 318 1HB ARG 49 1HB ARG 49 -2.618 -8.930 1.203 319 2HB ARG 49 2HB ARG 49 -1.093 -8.466 1.946 320 1HG ARG 49 1HG ARG 49 -2.334 -8.413 3.815 321 2HG ARG 49 2HG ARG 49 -2.760 -6.800 3.237 322 1HD ARG 49 1HD ARG 49 -4.581 -8.302 1.918 323 2HD ARG 49 2HD ARG 49 -4.382 -9.255 3.388 324 HE ARG 49 HE ARG 49 -5.354 -7.545 4.608 325 1HH1 ARG 49 1HH1 ARG 49 -4.810 -6.543 1.318 326 2HH1 ARG 49 2HH1 ARG 49 -5.783 -5.116 1.454 327 1HH2 ARG 49 1HH2 ARG 49 -6.637 -5.669 4.799 328 2HH2 ARG 49 2HH2 ARG 49 -6.822 -4.619 3.434 329 H ILE 50 H ILE 50 -1.622 -4.482 0.190 330 HA ILE 50 HA ILE 50 1.071 -4.349 1.287 331 HB ILE 50 HB ILE 50 -0.422 -2.021 0.107 332 1HG1 ILE 50 1HG1 ILE 50 -0.704 -3.688 -1.566 333 2HG1 ILE 50 2HG1 ILE 50 0.667 -2.713 -2.083 334 1HG2 ILE 50 1HG2 ILE 50 2.448 -2.763 0.531 335 2HG2 ILE 50 2HG2 ILE 50 1.993 -1.564 -0.678 336 3HG2 ILE 50 3HG2 ILE 50 1.591 -1.301 1.019 337 1HD1 ILE 50 1HD1 ILE 50 1.379 -5.033 -0.451 338 2HD1 ILE 50 2HD1 ILE 50 0.628 -5.419 -2.000 339 3HD1 ILE 50 3HD1 ILE 50 2.089 -4.431 -1.949 340 H GLU 51 H GLU 51 1.586 -2.306 2.638 341 HA GLU 51 HA GLU 51 -0.669 -1.598 4.364 342 1HB GLU 51 1HB GLU 51 1.787 -3.069 5.188 343 2HB GLU 51 2HB GLU 51 1.088 -1.908 6.309 344 1HG GLU 51 1HG GLU 51 -0.934 -3.101 6.444 345 2HG GLU 51 2HG GLU 51 -0.530 -4.092 5.042 346 H ILE 52 H ILE 52 -0.780 0.502 4.477 347 HA ILE 52 HA ILE 52 1.349 2.294 3.844 348 HB ILE 52 HB ILE 52 -1.302 2.748 5.235 349 1HG1 ILE 52 1HG1 ILE 52 -1.206 1.886 2.806 350 2HG1 ILE 52 2HG1 ILE 52 -2.207 3.295 3.150 351 1HG2 ILE 52 1HG2 ILE 52 0.517 4.471 5.644 352 2HG2 ILE 52 2HG2 ILE 52 0.386 4.861 3.930 353 3HG2 ILE 52 3HG2 ILE 52 -1.010 5.065 4.991 354 1HD1 ILE 52 1HD1 ILE 52 0.589 3.398 2.067 355 2HD1 ILE 52 2HD1 ILE 52 -0.886 3.525 1.102 356 3HD1 ILE 52 3HD1 ILE 52 -0.513 4.759 2.308 357 H GLU 53 H GLU 53 2.611 3.627 5.361 358 HA GLU 53 HA GLU 53 3.169 2.284 7.773 359 1HB GLU 53 1HB GLU 53 4.777 3.836 8.087 360 2HB GLU 53 2HB GLU 53 4.308 4.433 6.506 361 1HG GLU 53 1HG GLU 53 4.125 6.383 7.584 362 2HG GLU 53 2HG GLU 53 2.565 5.743 8.050 363 H ASP 54 H ASP 54 2.635 3.114 10.060 364 HA ASP 54 HA ASP 54 -0.213 3.460 10.185 365 1HB ASP 54 1HB ASP 54 1.277 2.056 11.749 366 2HB ASP 54 2HB ASP 54 1.606 3.577 12.574 367 H ALA 55 H ALA 55 1.464 5.733 9.219 368 HA ALA 55 HA ALA 55 0.545 7.806 11.077 369 1HB ALA 55 1HB ALA 55 2.832 7.770 9.119 370 2HB ALA 55 2HB ALA 55 2.241 9.246 9.877 371 3HB ALA 55 3HB ALA 55 2.914 7.953 10.874 372 H TRP 56 H TRP 56 0.498 6.530 7.875 373 HA TRP 56 HA TRP 56 -0.982 8.844 6.890 374 1HB TRP 56 1HB TRP 56 0.387 6.632 5.405 375 2HB TRP 56 2HB TRP 56 -0.363 8.051 4.683 376 HD1 TRP 56 HD1 TRP 56 2.332 7.242 7.269 377 HE1 TRP 56 HE1 TRP 56 4.117 9.062 7.202 378 HE3 TRP 56 HE3 TRP 56 0.211 10.223 3.685 379 HZ2 TRP 56 HZ2 TRP 56 4.606 11.412 5.787 380 HZ3 TRP 56 HZ3 TRP 56 1.477 12.235 3.009 381 HH2 TRP 56 HH2 TRP 56 3.607 12.799 4.034 382 H VAL 57 H VAL 57 -1.814 5.956 8.149 383 HA VAL 57 HA VAL 57 -3.595 5.029 6.156 384 HB VAL 57 HB VAL 57 -3.842 4.715 9.144 385 1HG1 VAL 57 1HG1 VAL 57 -5.831 4.217 7.814 386 2HG1 VAL 57 2HG1 VAL 57 -4.888 3.081 6.852 387 3HG1 VAL 57 3HG1 VAL 57 -5.155 2.768 8.568 388 1HG2 VAL 57 1HG2 VAL 57 -1.659 4.117 7.916 389 2HG2 VAL 57 2HG2 VAL 57 -2.368 2.945 9.031 390 3HG2 VAL 57 3HG2 VAL 57 -2.585 2.753 7.289 391 H GLU 58 H GLU 58 -3.721 7.292 8.786 392 HA GLU 58 HA GLU 58 -6.524 7.883 8.419 393 1HB GLU 58 1HB GLU 58 -4.384 9.242 10.078 394 2HB GLU 58 2HB GLU 58 -6.080 9.705 10.080 395 1HG GLU 58 1HG GLU 58 -6.519 7.256 10.747 396 2HG GLU 58 2HG GLU 58 -4.804 7.224 11.154 397 H ILE 59 H ILE 59 -3.750 8.499 6.775 398 HA ILE 59 HA ILE 59 -4.571 11.181 5.833 399 HB ILE 59 HB ILE 59 -1.996 9.660 5.668 400 1HG1 ILE 59 1HG1 ILE 59 -2.168 12.557 6.194 401 2HG1 ILE 59 2HG1 ILE 59 -2.811 11.489 7.436 402 1HG2 ILE 59 1HG2 ILE 59 -3.060 11.469 3.649 403 2HG2 ILE 59 2HG2 ILE 59 -1.484 11.961 4.271 404 3HG2 ILE 59 3HG2 ILE 59 -1.694 10.356 3.569 405 1HD1 ILE 59 1HD1 ILE 59 -0.254 10.585 6.506 406 2HD1 ILE 59 2HD1 ILE 59 -0.179 12.257 7.066 407 3HD1 ILE 59 3HD1 ILE 59 -0.784 10.995 8.136 408 H VAL 60 H VAL 60 -3.931 7.909 4.938 409 HA VAL 60 HA VAL 60 -4.445 8.341 2.130 410 HB VAL 60 HB VAL 60 -3.823 5.831 3.671 411 1HG1 VAL 60 1HG1 VAL 60 -4.948 5.752 1.322 412 2HG1 VAL 60 2HG1 VAL 60 -3.335 6.182 0.751 413 3HG1 VAL 60 3HG1 VAL 60 -3.577 4.704 1.683 414 1HG2 VAL 60 1HG2 VAL 60 -2.179 8.000 3.365 415 2HG2 VAL 60 2HG2 VAL 60 -1.636 6.330 3.568 416 3HG2 VAL 60 3HG2 VAL 60 -1.765 7.020 1.954 417 H GLY 61 H GLY 61 -5.902 6.659 4.870 418 1HA GLY 61 1HA GLY 61 -8.170 6.221 5.215 419 2HA GLY 61 2HA GLY 61 -8.506 6.923 3.640 420 H GLU 62 H GLU 62 -7.498 3.992 5.311 421 HA GLU 62 HA GLU 62 -7.081 2.250 3.291 422 1HB GLU 62 1HB GLU 62 -8.825 1.480 5.614 423 2HB GLU 62 2HB GLU 62 -7.634 0.502 4.768 424 1HG GLU 62 1HG GLU 62 -5.864 1.996 5.683 425 2HG GLU 62 2HG GLU 62 -7.108 2.789 6.649 426 H ALA 63 H ALA 63 -8.580 0.472 2.625 427 HA ALA 63 HA ALA 63 -10.646 1.563 1.046 428 1HB ALA 63 1HB ALA 63 -9.560 -1.140 1.518 429 2HB ALA 63 2HB ALA 63 -11.205 -1.045 0.880 430 3HB ALA 63 3HB ALA 63 -9.871 -0.285 0.006 431 H ASN 64 H ASN 64 -12.840 1.357 1.121 432 HA ASN 64 HA ASN 64 -14.158 1.599 3.511 433 1HB ASN 64 1HB ASN 64 -16.196 0.976 2.025 434 2HB ASN 64 2HB ASN 64 -15.268 2.403 1.598 435 1HD2 ASN 64 1HD2 ASN 64 -16.873 1.196 -0.238 436 2HD2 ASN 64 2HD2 ASN 64 -15.908 0.435 -1.453 437 HA PRO 65 HA PRO 65 -15.061 -2.427 5.015 438 1HB PRO 65 1HB PRO 65 -17.965 -2.014 4.887 439 2HB PRO 65 2HB PRO 65 -16.914 -2.144 6.300 440 1HG PRO 65 1HG PRO 65 -18.052 0.193 5.588 441 2HG PRO 65 2HG PRO 65 -16.436 0.120 6.318 442 1HD PRO 65 1HD PRO 65 -17.191 0.424 3.429 443 2HD PRO 65 2HD PRO 65 -15.937 1.286 4.346 444 H ASP 66 H ASP 66 -15.779 -1.712 1.888 445 HA ASP 66 HA ASP 66 -17.274 -4.136 1.292 446 1HB ASP 66 1HB ASP 66 -16.260 -1.908 -0.489 447 2HB ASP 66 2HB ASP 66 -17.190 -3.291 -1.058 448 H GLU 67 H GLU 67 -14.202 -2.638 0.280 449 HA GLU 67 HA GLU 67 -13.246 -5.087 -0.887 450 1HB GLU 67 1HB GLU 67 -11.430 -2.799 -0.254 451 2HB GLU 67 2HB GLU 67 -11.441 -3.862 -1.655 452 1HG GLU 67 1HG GLU 67 -13.154 -1.481 -1.083 453 2HG GLU 67 2HG GLU 67 -12.165 -1.832 -2.500 454 H ASN 68 H ASN 68 -13.172 -3.632 2.218 455 HA ASN 68 HA ASN 68 -10.865 -5.135 3.132 456 1HB ASN 68 1HB ASN 68 -11.500 -2.788 3.924 457 2HB ASN 68 2HB ASN 68 -12.778 -3.563 4.854 458 1HD2 ASN 68 2HD2 ASN 68 -12.260 -4.777 6.644 459 2HD2 ASN 68 1HD2 ASN 68 -10.684 -4.774 7.352 460 H ASP 69 H ASP 69 -14.299 -5.456 3.037 461 HA ASP 69 HA ASP 69 -14.502 -7.377 5.158 462 1HB ASP 69 1HB ASP 69 -16.441 -6.039 4.614 463 2HB ASP 69 2HB ASP 69 -16.415 -6.605 2.946 464 H LEU 70 H LEU 70 -14.747 -7.590 1.609 465 HA LEU 70 HA LEU 70 -15.013 -10.324 1.357 466 1HB LEU 70 1HB LEU 70 -14.617 -10.031 -0.868 467 2HB LEU 70 2HB LEU 70 -14.929 -8.367 -0.411 468 HG LEU 70 HG LEU 70 -12.348 -8.218 -0.117 469 1HD1 LEU 70 1HD1 LEU 70 -12.722 -10.820 -1.486 470 2HD1 LEU 70 2HD1 LEU 70 -11.410 -9.781 -2.043 471 3HD1 LEU 70 3HD1 LEU 70 -11.470 -10.300 -0.358 472 1HD2 LEU 70 1HD2 LEU 70 -14.098 -7.944 -2.417 473 2HD2 LEU 70 2HD2 LEU 70 -12.828 -6.873 -1.827 474 3HD2 LEU 70 3HD2 LEU 70 -12.420 -8.230 -2.877 475 H LEU 71 H LEU 71 -12.102 -8.425 1.887 476 HA LEU 71 HA LEU 71 -10.315 -10.645 1.557 477 1HB LEU 71 1HB LEU 71 -10.068 -7.868 1.692 478 2HB LEU 71 2HB LEU 71 -9.253 -8.454 3.130 479 HG LEU 71 HG LEU 71 -7.870 -8.115 0.985 480 1HD1 LEU 71 1HD1 LEU 71 -7.580 -9.745 3.177 481 2HD1 LEU 71 2HD1 LEU 71 -7.311 -10.846 1.826 482 3HD1 LEU 71 3HD1 LEU 71 -6.333 -9.387 1.983 483 1HD2 LEU 71 1HD2 LEU 71 -9.636 -9.436 -0.346 484 2HD2 LEU 71 2HD2 LEU 71 -7.930 -9.735 -0.681 485 3HD2 LEU 71 3HD2 LEU 71 -8.846 -10.867 0.315 486 H GLN 72 H GLN 72 -12.012 -9.135 4.208 487 HA GLN 72 HA GLN 72 -10.532 -10.491 6.263 488 1HB GLN 72 1HB GLN 72 -12.949 -8.731 6.179 489 2HB GLN 72 2HB GLN 72 -12.646 -9.693 7.620 490 1HG GLN 72 1HG GLN 72 -10.206 -8.479 6.999 491 2HG GLN 72 2HG GLN 72 -11.434 -7.234 6.776 492 1HE2 GLN 72 2HE2 GLN 72 -9.845 -9.327 9.030 493 2HE2 GLN 72 1HE2 GLN 72 -10.472 -8.600 10.467 494 H SER 73 H SER 73 -13.093 -11.306 4.174 495 HA SER 73 HA SER 73 -14.656 -13.031 5.677 496 1HB SER 73 1HB SER 73 -14.970 -12.299 3.245 497 2HB SER 73 2HB SER 73 -13.862 -13.604 2.824 498 HG SER 73 HG SER 73 -16.417 -13.820 3.157 499 H THR 74 H THR 74 -11.487 -13.531 4.260 500 HA THR 74 HA THR 74 -11.296 -16.303 4.448 501 HB THR 74 HB THR 74 -8.855 -15.959 4.519 502 HG1 THR 74 HG1 THR 74 -8.284 -13.598 4.396 503 1HG2 THR 74 1HG2 THR 74 -10.479 -15.253 2.453 504 2HG2 THR 74 2HG2 THR 74 -9.517 -13.793 2.681 505 3HG2 THR 74 3HG2 THR 74 -8.719 -15.338 2.385 506 H GLY 75 H GLY 75 -10.301 -13.848 6.834 507 1HA GLY 75 1HA GLY 75 -10.919 -14.245 9.174 508 2HA GLY 75 2HA GLY 75 -10.548 -15.941 8.905 509 H GLU 76 H GLU 76 -8.457 -13.608 7.479 510 HA GLU 76 HA GLU 76 -6.325 -14.433 9.294 511 1HB GLU 76 1HB GLU 76 -6.346 -13.041 6.622 512 2HB GLU 76 2HB GLU 76 -4.889 -13.162 7.598 513 1HG GLU 76 1HG GLU 76 -5.212 -15.652 7.585 514 2HG GLU 76 2HG GLU 76 -6.487 -15.403 6.394 515 HA PRO 77 HA PRO 77 -6.307 -10.684 11.605 516 1HB PRO 77 1HB PRO 77 -3.641 -10.516 12.197 517 2HB PRO 77 2HB PRO 77 -4.763 -11.608 13.016 518 1HG PRO 77 1HG PRO 77 -2.834 -12.178 10.803 519 2HG PRO 77 2HG PRO 77 -3.222 -13.154 12.233 520 1HD PRO 77 1HD PRO 77 -4.233 -13.709 9.792 521 2HD PRO 77 2HD PRO 77 -5.147 -14.006 11.285 522 H MET 78 H MET 78 -5.734 -8.497 11.490 523 HA MET 78 HA MET 78 -3.978 -7.615 9.342 524 1HB MET 78 1HB MET 78 -6.939 -7.155 9.409 525 2HB MET 78 2HB MET 78 -5.884 -5.937 8.707 526 1HG MET 78 1HG MET 78 -5.208 -7.331 6.982 527 2HG MET 78 2HG MET 78 -5.704 -8.790 7.837 528 1HE MET 78 1HE MET 78 -7.156 -5.407 7.140 529 2HE MET 78 2HE MET 78 -8.624 -5.681 6.203 530 3HE MET 78 3HE MET 78 -8.625 -5.960 7.944 531 H THR 79 H THR 79 -3.306 -5.431 9.543 532 HA THR 79 HA THR 79 -3.697 -4.358 12.252 533 HB THR 79 HB THR 79 -1.552 -3.417 12.143 534 HG1 THR 79 HG1 THR 79 -1.321 -3.986 9.392 535 1HG2 THR 79 1HG2 THR 79 -1.785 -6.149 11.347 536 2HG2 THR 79 2HG2 THR 79 -0.376 -5.419 10.579 537 3HG2 THR 79 3HG2 THR 79 -0.547 -5.371 12.334 538 H ALA 80 H ALA 80 -2.955 -1.803 12.032 539 HA ALA 80 HA ALA 80 -5.184 -0.626 10.619 540 1HB ALA 80 1HB ALA 80 -4.629 0.111 12.884 541 2HB ALA 80 2HB ALA 80 -3.059 0.678 12.315 542 3HB ALA 80 3HB ALA 80 -4.537 1.443 11.732 543 H GLY 81 H GLY 81 -4.996 -0.232 8.514 544 1HA GLY 81 1HA GLY 81 -4.023 1.441 6.968 545 2HA GLY 81 2HA GLY 81 -2.451 0.918 7.548 546 H THR 82 H THR 82 -4.262 -1.801 7.409 547 HA THR 82 HA THR 82 -2.949 -2.715 5.030 548 HB THR 82 HB THR 82 -5.076 -4.411 6.145 549 HG1 THR 82 HG1 THR 82 -4.425 -4.450 8.145 550 1HG2 THR 82 1HG2 THR 82 -2.284 -4.691 5.256 551 2HG2 THR 82 2HG2 THR 82 -2.818 -5.782 6.534 552 3HG2 THR 82 3HG2 THR 82 -3.674 -5.743 4.993 553 H ARG 83 H ARG 83 -3.696 -2.062 3.102 554 HA ARG 83 HA ARG 83 -6.375 -2.756 2.320 555 1HB ARG 83 1HB ARG 83 -6.861 -0.415 1.470 556 2HB ARG 83 2HB ARG 83 -6.984 -0.651 3.207 557 1HG ARG 83 1HG ARG 83 -5.571 1.016 3.527 558 2HG ARG 83 2HG ARG 83 -4.325 0.129 2.647 559 1HD ARG 83 1HD ARG 83 -4.827 2.424 1.766 560 2HD ARG 83 2HD ARG 83 -4.954 1.125 0.583 561 HE ARG 83 HE ARG 83 -7.484 1.331 1.361 562 1HH1 ARG 83 1HH1 ARG 83 -5.184 3.825 0.589 563 2HH1 ARG 83 2HH1 ARG 83 -6.383 4.929 0.005 564 1HH2 ARG 83 1HH2 ARG 83 -9.069 2.770 0.595 565 2HH2 ARG 83 2HH2 ARG 83 -8.594 4.332 0.015 566 H LEU 84 H LEU 84 -6.689 -2.721 0.060 567 HA LEU 84 HA LEU 84 -4.539 -3.478 -1.492 568 1HB LEU 84 1HB LEU 84 -7.130 -2.211 -2.380 569 2HB LEU 84 2HB LEU 84 -6.006 -3.030 -3.447 570 HG LEU 84 HG LEU 84 -6.383 -5.032 -1.757 571 1HD1 LEU 84 1HD1 LEU 84 -8.322 -3.092 -0.923 572 2HD1 LEU 84 2HD1 LEU 84 -9.132 -4.534 -1.536 573 3HD1 LEU 84 3HD1 LEU 84 -7.952 -4.673 -0.233 574 1HD2 LEU 84 1HD2 LEU 84 -7.574 -4.183 -4.243 575 2HD2 LEU 84 2HD2 LEU 84 -7.088 -5.796 -3.721 576 3HD2 LEU 84 3HD2 LEU 84 -8.690 -5.182 -3.311 577 H SER 85 H SER 85 -2.791 -2.093 -1.301 578 HA SER 85 HA SER 85 -2.782 0.665 -1.552 579 1HB SER 85 1HB SER 85 -0.759 -0.218 -0.815 580 2HB SER 85 2HB SER 85 -0.723 -1.452 -2.075 581 HG SER 85 HG SER 85 0.732 0.044 -2.717 582 H CYS 86 H CYS 86 -2.446 -1.798 -4.089 583 HA CYS 86 HA CYS 86 -1.922 -0.182 -6.259 584 1HB CYS 86 1HB CYS 86 -2.478 -1.982 -7.597 585 2HB CYS 86 2HB CYS 86 -2.218 -2.790 -6.055 586 H GLN 87 H GLN 87 -4.848 -0.517 -4.453 587 HA GLN 87 HA GLN 87 -6.454 0.813 -6.480 588 1HB GLN 87 1HB GLN 87 -7.520 -1.001 -5.321 589 2HB GLN 87 2HB GLN 87 -7.126 -0.302 -3.758 590 1HG GLN 87 1HG GLN 87 -8.856 1.131 -3.809 591 2HG GLN 87 2HG GLN 87 -8.721 1.403 -5.545 592 1HE2 GLN 87 2HE2 GLN 87 -10.509 -0.033 -3.126 593 2HE2 GLN 87 1HE2 GLN 87 -11.480 -1.081 -4.097 594 H VAL 88 H VAL 88 -4.311 1.855 -4.203 595 HA VAL 88 HA VAL 88 -5.884 4.182 -3.417 596 HB VAL 88 HB VAL 88 -3.097 3.443 -2.549 597 1HG1 VAL 88 1HG1 VAL 88 -5.046 5.548 -1.921 598 2HG1 VAL 88 2HG1 VAL 88 -4.165 4.861 -0.558 599 3HG1 VAL 88 3HG1 VAL 88 -3.285 5.584 -1.901 600 1HG2 VAL 88 1HG2 VAL 88 -5.758 2.721 -1.327 601 2HG2 VAL 88 2HG2 VAL 88 -4.497 1.623 -1.886 602 3HG2 VAL 88 3HG2 VAL 88 -4.223 2.626 -0.463 603 H PHE 89 H PHE 89 -4.852 6.341 -3.596 604 HA PHE 89 HA PHE 89 -2.706 6.531 -5.522 605 1HB PHE 89 1HB PHE 89 -5.382 7.740 -6.172 606 2HB PHE 89 2HB PHE 89 -3.928 7.744 -7.181 607 HD1 PHE 89 HD1 PHE 89 -3.116 5.717 -8.202 608 HD2 PHE 89 HD2 PHE 89 -6.710 5.774 -5.925 609 HE1 PHE 89 HE1 PHE 89 -3.718 3.502 -9.114 610 HE2 PHE 89 HE2 PHE 89 -7.342 3.573 -6.848 611 HZ PHE 89 HZ PHE 89 -5.842 2.430 -8.445 612 H ILE 90 H ILE 90 -1.578 8.277 -5.521 613 HA ILE 90 HA ILE 90 -1.456 9.927 -3.299 614 HB ILE 90 HB ILE 90 -0.273 10.203 -6.056 615 1HG1 ILE 90 1HG1 ILE 90 0.176 8.247 -4.291 616 2HG1 ILE 90 2HG1 ILE 90 1.451 8.899 -5.318 617 1HG2 ILE 90 1HG2 ILE 90 0.105 11.818 -3.588 618 2HG2 ILE 90 2HG2 ILE 90 1.479 11.493 -4.643 619 3HG2 ILE 90 3HG2 ILE 90 0.071 12.337 -5.269 620 1HD1 ILE 90 1HD1 ILE 90 0.862 9.744 -2.499 621 2HD1 ILE 90 2HD1 ILE 90 2.182 8.693 -3.005 622 3HD1 ILE 90 3HD1 ILE 90 2.155 10.391 -3.512 623 H ASP 91 H ASP 91 -1.886 12.072 -2.941 624 HA ASP 91 HA ASP 91 -3.066 13.828 -4.811 625 1HB ASP 91 1HB ASP 91 -5.007 14.024 -2.940 626 2HB ASP 91 2HB ASP 91 -5.129 12.977 -4.339 627 HA PRO 92 HA PRO 92 -0.884 16.594 -2.103 628 1HB PRO 92 1HB PRO 92 -3.257 18.393 -2.105 629 2HB PRO 92 2HB PRO 92 -1.583 18.738 -2.558 630 1HG PRO 92 1HG PRO 92 -3.422 18.467 -4.448 631 2HG PRO 92 2HG PRO 92 -1.814 17.747 -4.665 632 1HD PRO 92 1HD PRO 92 -4.382 16.432 -3.857 633 2HD PRO 92 2HD PRO 92 -3.154 15.862 -5.009 634 H SER 93 H SER 93 -2.903 14.631 -0.982 635 HA SER 93 HA SER 93 -3.382 15.783 1.648 636 1HB SER 93 1HB SER 93 -4.847 13.464 1.443 637 2HB SER 93 2HB SER 93 -5.475 15.079 1.142 638 HG SER 93 HG SER 93 -4.293 13.434 -0.823 639 H MET 94 H MET 94 -1.958 13.264 -0.234 640 HA MET 94 HA MET 94 -0.837 11.990 2.155 641 1HB MET 94 1HB MET 94 -1.757 10.750 -0.445 642 2HB MET 94 2HB MET 94 -0.901 9.888 0.814 643 1HG MET 94 1HG MET 94 -2.732 9.627 2.048 644 2HG MET 94 2HG MET 94 -3.252 11.288 1.788 645 1HE MET 94 1HE MET 94 -2.748 7.925 -0.149 646 2HE MET 94 2HE MET 94 -3.911 8.090 -1.464 647 3HE MET 94 3HE MET 94 -2.496 9.142 -1.401 648 H ASP 95 H ASP 95 0.536 14.017 1.151 649 HA ASP 95 HA ASP 95 2.387 13.089 -0.815 650 1HB ASP 95 1HB ASP 95 2.781 15.721 0.479 651 2HB ASP 95 2HB ASP 95 2.855 15.312 -1.219 652 H GLY 96 H GLY 96 4.419 12.352 -0.333 653 1HA GLY 96 1HA GLY 96 6.316 12.002 0.956 654 2HA GLY 96 2HA GLY 96 5.621 13.015 2.213 655 H LEU 97 H LEU 97 3.957 10.385 0.655 656 HA LEU 97 HA LEU 97 3.079 9.219 3.043 657 1HB LEU 97 1HB LEU 97 3.134 8.255 0.212 658 2HB LEU 97 2HB LEU 97 2.579 7.219 1.501 659 HG LEU 97 HG LEU 97 1.301 9.876 1.347 660 1HD1 LEU 97 1HD1 LEU 97 1.696 8.974 -1.032 661 2HD1 LEU 97 2HD1 LEU 97 0.501 7.749 -0.610 662 3HD1 LEU 97 3HD1 LEU 97 0.061 9.454 -0.591 663 1HD2 LEU 97 1HD2 LEU 97 0.799 7.868 2.901 664 2HD2 LEU 97 2HD2 LEU 97 -0.556 8.701 2.143 665 3HD2 LEU 97 3HD2 LEU 97 0.016 7.169 1.485 666 H ILE 98 H ILE 98 3.442 7.188 3.897 667 HA ILE 98 HA ILE 98 6.058 6.009 3.302 668 HB ILE 98 HB ILE 98 4.872 6.149 6.052 669 1HG1 ILE 98 1HG1 ILE 98 6.664 7.711 6.604 670 2HG1 ILE 98 2HG1 ILE 98 7.246 7.643 4.941 671 1HG2 ILE 98 1HG2 ILE 98 7.128 4.695 4.879 672 2HG2 ILE 98 2HG2 ILE 98 7.469 5.511 6.405 673 3HG2 ILE 98 3HG2 ILE 98 6.161 4.333 6.309 674 1HD1 ILE 98 1HD1 ILE 98 4.442 8.300 5.123 675 2HD1 ILE 98 2HD1 ILE 98 5.474 9.467 5.958 676 3HD1 ILE 98 3HD1 ILE 98 5.743 9.104 4.255 677 H VAL 99 H VAL 99 5.781 4.045 2.502 678 HA VAL 99 HA VAL 99 3.357 2.634 3.160 679 HB VAL 99 HB VAL 99 5.174 1.419 1.227 680 1HG1 VAL 99 1HG1 VAL 99 2.340 1.656 1.923 681 2HG1 VAL 99 2HG1 VAL 99 2.675 1.624 0.185 682 3HG1 VAL 99 3HG1 VAL 99 3.233 0.301 1.209 683 1HG2 VAL 99 1HG2 VAL 99 3.685 3.994 0.697 684 2HG2 VAL 99 2HG2 VAL 99 5.432 3.763 0.633 685 3HG2 VAL 99 3HG2 VAL 99 4.390 2.959 -0.542 686 H ARG 100 H ARG 100 3.756 0.089 2.981 687 HA ARG 100 HA ARG 100 6.091 -0.895 4.302 688 1HB ARG 100 1HB ARG 100 3.737 -0.134 5.896 689 2HB ARG 100 2HB ARG 100 4.323 -1.764 6.197 690 1HG ARG 100 1HG ARG 100 6.403 -1.006 6.939 691 2HG ARG 100 2HG ARG 100 6.170 0.590 6.226 692 1HD ARG 100 1HD ARG 100 5.006 1.350 7.991 693 2HD ARG 100 2HD ARG 100 4.143 -0.173 8.202 694 HE ARG 100 HE ARG 100 6.863 -0.414 8.987 695 1HH1 ARG 100 1HH1 ARG 100 3.788 0.855 10.011 696 2HH1 ARG 100 2HH1 ARG 100 4.149 0.727 11.700 697 1HH2 ARG 100 1HH2 ARG 100 7.351 -0.591 11.212 698 2HH2 ARG 100 2HH2 ARG 100 6.175 -0.095 12.383 699 H VAL 101 H VAL 101 6.142 -3.186 4.438 700 HA VAL 101 HA VAL 101 3.953 -4.520 2.977 701 HB VAL 101 HB VAL 101 6.876 -5.286 3.010 702 1HG1 VAL 101 1HG1 VAL 101 5.374 -7.212 2.839 703 2HG1 VAL 101 2HG1 VAL 101 4.568 -6.460 1.462 704 3HG1 VAL 101 3HG1 VAL 101 6.259 -6.946 1.337 705 1HG2 VAL 101 1HG2 VAL 101 6.060 -3.199 1.687 706 2HG2 VAL 101 2HG2 VAL 101 7.113 -4.375 0.900 707 3HG2 VAL 101 3HG2 VAL 101 5.378 -4.393 0.582 708 HA PRO 102 HA PRO 102 3.478 -6.906 6.698 709 1HB PRO 102 1HB PRO 102 1.751 -8.747 5.756 710 2HB PRO 102 2HB PRO 102 1.269 -7.071 6.053 711 1HG PRO 102 1HG PRO 102 2.032 -8.392 3.474 712 2HG PRO 102 2HG PRO 102 0.677 -7.296 3.808 713 1HD PRO 102 1HD PRO 102 2.984 -6.459 2.651 714 2HD PRO 102 2HD PRO 102 2.009 -5.417 3.705 715 H LEU 103 H LEU 103 3.339 -9.390 7.179 716 HA LEU 103 HA LEU 103 5.850 -10.502 6.316 717 1HB LEU 103 1HB LEU 103 5.733 -11.776 8.170 718 2HB LEU 103 2HB LEU 103 4.480 -10.641 8.635 719 HG LEU 103 HG LEU 103 3.968 -13.301 7.298 720 1HD1 LEU 103 1HD1 LEU 103 3.740 -12.490 10.191 721 2HD1 LEU 103 2HD1 LEU 103 3.129 -13.997 9.508 722 3HD1 LEU 103 3HD1 LEU 103 4.861 -13.666 9.506 723 1HD2 LEU 103 1HD2 LEU 103 2.163 -11.171 8.416 724 2HD2 LEU 103 2HD2 LEU 103 2.189 -11.836 6.783 725 3HD2 LEU 103 3HD2 LEU 103 1.630 -12.827 8.129 726 HA PRO 104 HA PRO 104 4.836 -13.629 3.384 727 1HB PRO 104 1HB PRO 104 4.944 -15.779 5.446 728 2HB PRO 104 2HB PRO 104 5.794 -15.659 3.901 729 1HG PRO 104 1HG PRO 104 7.078 -15.212 6.189 730 2HG PRO 104 2HG PRO 104 7.412 -14.228 4.752 731 1HD PRO 104 1HD PRO 104 5.828 -13.549 7.192 732 2HD PRO 104 2HD PRO 104 6.884 -12.517 6.206 733 H ALA 105 H ALA 105 2.661 -12.947 3.110 734 HA ALA 105 HA ALA 105 0.690 -14.760 4.344 735 1HB ALA 105 1HB ALA 105 0.825 -12.059 4.804 736 2HB ALA 105 2HB ALA 105 -0.385 -12.176 3.527 737 3HB ALA 105 3HB ALA 105 -0.601 -13.072 5.031 Start of MODEL 2 1 2H PRO 1 2H PRO 1 4.020 15.017 -5.177 2 1H PRO 1 1H PRO 1 4.735 13.553 -5.424 3 HA PRO 1 HA PRO 1 4.654 15.059 -3.201 4 1HB PRO 1 1HB PRO 1 3.643 12.371 -2.482 5 2HB PRO 1 2HB PRO 1 3.372 13.916 -1.703 6 1HG PRO 1 1HG PRO 1 1.451 12.918 -3.101 7 2HG PRO 1 2HG PRO 1 1.865 14.627 -3.337 8 1HD PRO 1 1HD PRO 1 2.777 12.256 -4.967 9 2HD PRO 1 2HD PRO 1 1.961 13.715 -5.536 10 H ARG 2 H ARG 2 5.419 13.298 -1.373 11 HA ARG 2 HA ARG 2 7.752 11.909 -2.579 12 1HB ARG 2 1HB ARG 2 8.731 13.607 -1.275 13 2HB ARG 2 2HB ARG 2 7.492 13.492 -0.031 14 1HG ARG 2 1HG ARG 2 8.416 11.531 0.866 15 2HG ARG 2 2HG ARG 2 9.415 11.255 -0.561 16 1HD ARG 2 1HD ARG 2 10.663 13.322 -0.015 17 2HD ARG 2 2HD ARG 2 9.739 13.436 1.481 18 HE ARG 2 HE ARG 2 11.210 10.967 1.005 19 1HH1 ARG 2 1HH1 ARG 2 11.050 14.045 2.639 20 2HH1 ARG 2 2HH1 ARG 2 12.202 13.601 3.852 21 1HH2 ARG 2 1HH2 ARG 2 12.729 10.383 2.595 22 2HH2 ARG 2 2HH2 ARG 2 13.158 11.523 3.827 23 H VAL 3 H VAL 3 8.421 9.898 -1.197 24 HA VAL 3 HA VAL 3 6.331 8.965 0.527 25 HB VAL 3 HB VAL 3 6.348 8.324 -2.318 26 1HG1 VAL 3 1HG1 VAL 3 7.123 6.179 -1.023 27 2HG1 VAL 3 2HG1 VAL 3 5.406 6.102 -0.647 28 3HG1 VAL 3 3HG1 VAL 3 5.940 6.147 -2.333 29 1HG2 VAL 3 1HG2 VAL 3 4.495 8.548 -0.059 30 2HG2 VAL 3 2HG2 VAL 3 4.402 9.217 -1.702 31 3HG2 VAL 3 3HG2 VAL 3 4.034 7.514 -1.414 32 H VAL 4 H VAL 4 6.648 6.716 1.212 33 HA VAL 4 HA VAL 4 9.337 5.730 0.868 34 HB VAL 4 HB VAL 4 8.420 6.809 3.499 35 1HG1 VAL 4 1HG1 VAL 4 9.914 4.346 3.026 36 2HG1 VAL 4 2HG1 VAL 4 10.776 5.499 4.048 37 3HG1 VAL 4 3HG1 VAL 4 9.166 4.946 4.508 38 1HG2 VAL 4 1HG2 VAL 4 10.669 7.174 1.611 39 2HG2 VAL 4 2HG2 VAL 4 9.766 8.376 2.536 40 3HG2 VAL 4 3HG2 VAL 4 10.998 7.392 3.330 41 H PHE 5 H PHE 5 9.048 3.811 0.338 42 HA PHE 5 HA PHE 5 6.859 2.182 1.385 43 1HB PHE 5 1HB PHE 5 8.923 1.852 -0.770 44 2HB PHE 5 2HB PHE 5 7.921 0.512 -0.247 45 HD1 PHE 5 HD1 PHE 5 6.591 3.991 -0.531 46 HD2 PHE 5 HD2 PHE 5 6.975 0.147 -2.321 47 HE1 PHE 5 HE1 PHE 5 4.972 4.612 -2.250 48 HE2 PHE 5 HE2 PHE 5 5.345 0.736 -3.993 49 HZ PHE 5 HZ PHE 5 4.302 2.967 -3.971 50 H ILE 6 H ILE 6 7.535 -0.164 1.774 51 HA ILE 6 HA ILE 6 10.120 -0.596 2.918 52 HB ILE 6 HB ILE 6 7.877 -1.302 4.717 53 1HG1 ILE 6 1HG1 ILE 6 7.650 1.154 3.926 54 2HG1 ILE 6 2HG1 ILE 6 7.625 0.827 5.651 55 1HG2 ILE 6 1HG2 ILE 6 10.180 -1.976 5.103 56 2HG2 ILE 6 2HG2 ILE 6 10.662 -0.284 5.139 57 3HG2 ILE 6 3HG2 ILE 6 9.588 -0.920 6.384 58 1HD1 ILE 6 1HD1 ILE 6 10.248 1.404 4.448 59 2HD1 ILE 6 2HD1 ILE 6 9.101 2.737 4.537 60 3HD1 ILE 6 3HD1 ILE 6 9.580 1.889 6.008 61 H ASP 7 H ASP 7 10.388 -2.932 3.514 62 HA ASP 7 HA ASP 7 8.363 -4.796 2.911 63 1HB ASP 7 1HB ASP 7 9.063 -3.883 0.607 64 2HB ASP 7 2HB ASP 7 10.530 -4.828 0.839 65 H GLU 8 H GLU 8 9.282 -7.036 2.642 66 HA GLU 8 HA GLU 8 11.133 -7.460 4.807 67 1HB GLU 8 1HB GLU 8 9.646 -9.141 5.002 68 2HB GLU 8 2HB GLU 8 9.175 -9.046 3.315 69 1HG GLU 8 1HG GLU 8 10.050 -11.189 3.584 70 2HG GLU 8 2HG GLU 8 11.337 -10.278 2.799 71 H GLN 9 H GLN 9 11.414 -7.112 1.445 72 HA GLN 9 HA GLN 9 13.799 -8.766 1.233 73 1HB GLN 9 1HB GLN 9 12.686 -6.942 -0.890 74 2HB GLN 9 2HB GLN 9 13.734 -8.339 -1.101 75 1HG GLN 9 1HG GLN 9 11.582 -9.465 0.110 76 2HG GLN 9 2HG GLN 9 10.825 -8.183 -0.834 77 1HE2 GLN 9 2HE2 GLN 9 12.250 -11.263 -0.892 78 2HE2 GLN 9 1HE2 GLN 9 12.193 -11.520 -2.599 79 H SER 10 H SER 10 13.312 -5.924 2.604 80 HA SER 10 HA SER 10 16.019 -5.111 2.434 81 1HB SER 10 1HB SER 10 15.160 -4.278 0.221 82 2HB SER 10 2HB SER 10 14.071 -3.216 1.111 83 HG SER 10 HG SER 10 16.513 -2.906 2.103 84 H GLY 11 H GLY 11 12.700 -4.382 3.303 85 1HA GLY 11 1HA GLY 11 11.914 -3.670 5.366 86 2HA GLY 11 2HA GLY 11 13.573 -3.463 5.892 87 H GLU 12 H GLU 12 12.710 -2.015 2.934 88 HA GLU 12 HA GLU 12 11.551 0.370 3.633 89 1HB GLU 12 1HB GLU 12 13.215 1.070 5.085 90 2HB GLU 12 2HB GLU 12 14.501 0.345 4.129 91 1HG GLU 12 1HG GLU 12 14.241 2.064 2.433 92 2HG GLU 12 2HG GLU 12 12.908 2.777 3.339 93 H TYR 13 H TYR 13 11.258 1.675 1.945 94 HA TYR 13 HA TYR 13 12.888 1.445 -0.435 95 1HB TYR 13 1HB TYR 13 10.040 0.547 -0.244 96 2HB TYR 13 2HB TYR 13 10.751 1.032 -1.781 97 HD1 TYR 13 HD1 TYR 13 11.132 -1.285 1.069 98 HD2 TYR 13 HD2 TYR 13 12.067 -0.461 -2.989 99 HE1 TYR 13 HE1 TYR 13 12.058 -3.566 0.833 100 HE2 TYR 13 HE2 TYR 13 12.969 -2.716 -3.268 101 HH TYR 13 HH TYR 13 14.059 -4.515 -1.281 102 H ALA 14 H ALA 14 13.045 3.657 0.778 103 HA ALA 14 HA ALA 14 11.073 5.578 0.754 104 1HB ALA 14 1HB ALA 14 14.044 5.715 0.505 105 2HB ALA 14 2HB ALA 14 13.087 7.183 0.304 106 3HB ALA 14 3HB ALA 14 12.999 6.272 1.811 107 H VAL 15 H VAL 15 10.174 6.937 -0.702 108 HA VAL 15 HA VAL 15 11.215 7.224 -3.356 109 HB VAL 15 HB VAL 15 10.074 4.968 -3.249 110 1HG1 VAL 15 1HG1 VAL 15 7.618 6.698 -3.110 111 2HG1 VAL 15 2HG1 VAL 15 7.612 5.047 -3.769 112 3HG1 VAL 15 3HG1 VAL 15 8.084 5.324 -2.099 113 1HG2 VAL 15 1HG2 VAL 15 10.108 6.977 -5.284 114 2HG2 VAL 15 2HG2 VAL 15 10.312 5.234 -5.429 115 3HG2 VAL 15 3HG2 VAL 15 8.693 5.934 -5.463 116 H ASP 16 H ASP 16 8.736 7.778 -4.522 117 HA ASP 16 HA ASP 16 7.456 9.867 -3.065 118 1HB ASP 16 1HB ASP 16 8.675 10.582 -5.672 119 2HB ASP 16 2HB ASP 16 8.102 11.650 -4.400 120 H ALA 17 H ALA 17 5.745 10.780 -4.390 121 HA ALA 17 HA ALA 17 5.000 9.134 -6.678 122 1HB ALA 17 1HB ALA 17 4.163 8.576 -4.167 123 2HB ALA 17 2HB ALA 17 2.845 9.604 -4.801 124 3HB ALA 17 3HB ALA 17 3.315 8.124 -5.661 125 H GLN 18 H GLN 18 2.544 9.967 -7.152 126 HA GLN 18 HA GLN 18 2.486 12.883 -7.114 127 1HB GLN 18 1HB GLN 18 2.171 11.333 -9.686 128 2HB GLN 18 2HB GLN 18 2.180 13.080 -9.493 129 1HG GLN 18 1HG GLN 18 4.546 12.862 -8.665 130 2HG GLN 18 2HG GLN 18 4.484 11.180 -9.188 131 1HE2 GLN 18 2HE2 GLN 18 2.882 11.620 -11.493 132 2HE2 GLN 18 1HE2 GLN 18 3.859 12.435 -12.661 133 H ASP 19 H ASP 19 0.477 13.601 -6.707 134 HA ASP 19 HA ASP 19 -1.633 12.167 -5.915 135 1HB ASP 19 1HB ASP 19 -1.889 14.620 -7.636 136 2HB ASP 19 2HB ASP 19 -3.115 14.000 -6.544 137 H GLY 20 H GLY 20 -2.385 10.382 -6.737 138 1HA GLY 20 1HA GLY 20 -4.094 9.626 -8.375 139 2HA GLY 20 2HA GLY 20 -3.074 10.357 -9.606 140 H GLN 21 H GLN 21 -0.973 9.086 -7.392 141 HA GLN 21 HA GLN 21 -0.816 6.566 -8.915 142 1HB GLN 21 1HB GLN 21 1.341 8.165 -7.536 143 2HB GLN 21 2HB GLN 21 1.590 6.554 -8.195 144 1HG GLN 21 1HG GLN 21 1.393 7.274 -10.383 145 2HG GLN 21 2HG GLN 21 0.518 8.732 -9.925 146 1HE2 GLN 21 2HE2 GLN 21 3.173 8.065 -7.942 147 2HE2 GLN 21 1HE2 GLN 21 4.273 9.193 -8.633 148 H SER 22 H SER 22 -0.623 4.638 -7.840 149 HA SER 22 HA SER 22 -1.445 4.672 -5.051 150 1HB SER 22 1HB SER 22 -2.281 2.564 -5.421 151 2HB SER 22 2HB SER 22 -2.236 3.109 -7.095 152 HG SER 22 HG SER 22 -0.487 1.898 -7.464 153 H LEU 23 H LEU 23 -0.419 2.818 -3.671 154 HA LEU 23 HA LEU 23 2.450 3.355 -3.632 155 1HB LEU 23 1HB LEU 23 0.620 1.869 -1.753 156 2HB LEU 23 2HB LEU 23 2.362 1.890 -1.551 157 HG LEU 23 HG LEU 23 1.775 3.586 -0.138 158 1HD1 LEU 23 1HD1 LEU 23 3.113 4.376 -2.282 159 2HD1 LEU 23 2HD1 LEU 23 1.686 5.391 -2.488 160 3HD1 LEU 23 3HD1 LEU 23 2.641 5.496 -1.010 161 1HD2 LEU 23 1HD2 LEU 23 -0.518 4.068 -2.008 162 2HD2 LEU 23 2HD2 LEU 23 -0.551 3.623 -0.302 163 3HD2 LEU 23 3HD2 LEU 23 -0.071 5.251 -0.780 164 H MET 24 H MET 24 0.784 1.445 -5.484 165 HA MET 24 HA MET 24 2.529 -0.897 -5.193 166 1HB MET 24 1HB MET 24 0.867 -2.207 -6.039 167 2HB MET 24 2HB MET 24 -0.152 -0.911 -5.433 168 1HG MET 24 1HG MET 24 -0.999 -1.144 -7.530 169 2HG MET 24 2HG MET 24 0.234 0.081 -7.832 170 1HE MET 24 1HE MET 24 -0.815 -0.880 -10.042 171 2HE MET 24 2HE MET 24 0.324 -1.746 -11.073 172 3HE MET 24 3HE MET 24 -0.946 -2.629 -10.226 173 H GLU 25 H GLU 25 1.670 1.799 -7.153 174 HA GLU 25 HA GLU 25 3.199 0.877 -9.434 175 1HB GLU 25 1HB GLU 25 1.134 2.166 -9.826 176 2HB GLU 25 2HB GLU 25 1.820 3.525 -8.948 177 1HG GLU 25 1HG GLU 25 3.737 3.168 -10.787 178 2HG GLU 25 2HG GLU 25 2.340 2.579 -11.688 179 H VAL 26 H VAL 26 3.497 3.307 -6.853 180 HA VAL 26 HA VAL 26 5.815 4.505 -7.807 181 HB VAL 26 HB VAL 26 6.025 3.876 -4.948 182 1HG1 VAL 26 1HG1 VAL 26 7.260 5.517 -6.424 183 2HG1 VAL 26 2HG1 VAL 26 5.818 6.514 -6.324 184 3HG1 VAL 26 3HG1 VAL 26 6.698 6.101 -4.863 185 1HG2 VAL 26 1HG2 VAL 26 3.552 4.031 -5.247 186 2HG2 VAL 26 2HG2 VAL 26 4.302 5.197 -4.157 187 3HG2 VAL 26 3HG2 VAL 26 3.815 5.693 -5.782 188 H ALA 27 H ALA 27 5.419 1.805 -5.648 189 HA ALA 27 HA ALA 27 7.739 0.783 -5.086 190 1HB ALA 27 1HB ALA 27 5.222 -0.354 -5.459 191 2HB ALA 27 2HB ALA 27 6.335 -1.380 -6.365 192 3HB ALA 27 3HB ALA 27 6.606 -1.085 -4.644 193 H THR 28 H THR 28 6.328 -0.497 -8.049 194 HA THR 28 HA THR 28 8.607 -1.579 -9.096 195 HB THR 28 HB THR 28 7.391 -2.015 -10.946 196 HG1 THR 28 HG1 THR 28 7.657 -0.065 -11.941 197 1HG2 THR 28 1HG2 THR 28 5.693 -2.111 -9.064 198 2HG2 THR 28 2HG2 THR 28 5.082 -0.583 -9.699 199 3HG2 THR 28 3HG2 THR 28 5.073 -2.027 -10.713 200 H GLN 29 H GLN 29 7.589 1.757 -9.092 201 HA GLN 29 HA GLN 29 9.637 2.591 -10.932 202 1HB GLN 29 1HB GLN 29 7.742 4.097 -9.150 203 2HB GLN 29 2HB GLN 29 9.025 4.917 -10.024 204 1HG GLN 29 1HG GLN 29 6.812 3.285 -11.243 205 2HG GLN 29 2HG GLN 29 6.930 5.044 -11.232 206 1HE2 GLN 29 2HE2 GLN 29 9.264 5.730 -12.032 207 2HE2 GLN 29 1HE2 GLN 29 9.706 5.041 -13.554 208 H ASN 30 H ASN 30 9.294 2.259 -7.491 209 HA ASN 30 HA ASN 30 11.826 3.562 -6.949 210 1HB ASN 30 1HB ASN 30 10.614 2.042 -4.764 211 2HB ASN 30 2HB ASN 30 11.076 3.726 -4.811 212 1HD2 ASN 30 2HD2 ASN 30 8.625 2.300 -3.849 213 2HD2 ASN 30 1HD2 ASN 30 7.324 3.050 -4.628 214 H GLY 31 H GLY 31 11.148 0.721 -8.277 215 1HA GLY 31 1HA GLY 31 12.397 -1.202 -8.568 216 2HA GLY 31 2HA GLY 31 13.621 -0.505 -7.512 217 H VAL 32 H VAL 32 10.492 -0.509 -6.248 218 HA VAL 32 HA VAL 32 11.128 -2.154 -4.048 219 HB VAL 32 HB VAL 32 8.425 -1.321 -4.982 220 1HG1 VAL 32 1HG1 VAL 32 8.672 -2.943 -3.053 221 2HG1 VAL 32 2HG1 VAL 32 9.309 -1.550 -2.151 222 3HG1 VAL 32 3HG1 VAL 32 7.668 -1.498 -2.814 223 1HG2 VAL 32 1HG2 VAL 32 10.524 0.280 -3.603 224 2HG2 VAL 32 2HG2 VAL 32 9.545 0.694 -5.011 225 3HG2 VAL 32 3HG2 VAL 32 8.809 0.641 -3.408 226 HA PRO 33 HA PRO 33 10.009 -6.219 -5.393 227 1HB PRO 33 1HB PRO 33 8.948 -7.042 -2.952 228 2HB PRO 33 2HB PRO 33 10.657 -7.113 -3.383 229 1HG PRO 33 1HG PRO 33 9.191 -5.074 -1.766 230 2HG PRO 33 2HG PRO 33 10.817 -5.736 -1.531 231 1HD PRO 33 1HD PRO 33 10.441 -3.311 -2.582 232 2HD PRO 33 2HD PRO 33 11.742 -4.376 -3.144 233 H GLY 34 H GLY 34 7.788 -7.546 -4.217 234 1HA GLY 34 1HA GLY 34 5.584 -7.862 -4.835 235 2HA GLY 34 2HA GLY 34 5.392 -6.368 -3.936 236 H ILE 35 H ILE 35 7.241 -6.267 -6.879 237 HA ILE 35 HA ILE 35 6.000 -4.225 -8.111 238 HB ILE 35 HB ILE 35 6.585 -6.496 -9.943 239 1HG1 ILE 35 1HG1 ILE 35 8.647 -5.215 -8.146 240 2HG1 ILE 35 2HG1 ILE 35 8.311 -6.931 -8.350 241 1HG2 ILE 35 1HG2 ILE 35 6.185 -3.870 -10.323 242 2HG2 ILE 35 2HG2 ILE 35 7.939 -3.885 -10.156 243 3HG2 ILE 35 3HG2 ILE 35 7.163 -4.869 -11.397 244 1HD1 ILE 35 1HD1 ILE 35 9.064 -6.638 -10.752 245 2HD1 ILE 35 2HD1 ILE 35 9.678 -5.063 -10.254 246 3HD1 ILE 35 3HD1 ILE 35 10.308 -6.531 -9.507 247 H VAL 36 H VAL 36 4.424 -4.090 -9.885 248 HA VAL 36 HA VAL 36 1.911 -4.639 -9.427 249 HB VAL 36 HB VAL 36 2.907 -3.669 -11.576 250 1HG1 VAL 36 1HG1 VAL 36 3.903 -6.081 -12.043 251 2HG1 VAL 36 2HG1 VAL 36 2.350 -6.293 -12.852 252 3HG1 VAL 36 3HG1 VAL 36 3.437 -4.997 -13.353 253 1HG2 VAL 36 1HG2 VAL 36 0.440 -4.060 -10.944 254 2HG2 VAL 36 2HG2 VAL 36 0.836 -3.748 -12.634 255 3HG2 VAL 36 3HG2 VAL 36 0.514 -5.396 -12.094 256 H ALA 37 H ALA 37 0.556 -6.282 -9.099 257 HA ALA 37 HA ALA 37 1.561 -8.974 -9.115 258 1HB ALA 37 1HB ALA 37 -0.401 -7.606 -7.704 259 2HB ALA 37 2HB ALA 37 -1.290 -8.773 -8.683 260 3HB ALA 37 3HB ALA 37 -0.019 -9.324 -7.591 261 H GLU 38 H GLU 38 -0.839 -10.352 -9.747 262 HA GLU 38 HA GLU 38 -0.488 -10.682 -12.536 263 1HB GLU 38 1HB GLU 38 -2.400 -12.258 -12.359 264 2HB GLU 38 2HB GLU 38 -1.131 -12.565 -11.182 265 1HG GLU 38 1HG GLU 38 -2.645 -11.022 -9.671 266 2HG GLU 38 2HG GLU 38 -3.898 -11.579 -10.780 267 H CYS 39 H CYS 39 -3.318 -9.525 -10.681 268 HA CYS 39 HA CYS 39 -4.805 -8.757 -12.943 269 1HB CYS 39 1HB CYS 39 -6.392 -8.036 -11.459 270 2HB CYS 39 2HB CYS 39 -5.439 -9.031 -10.368 271 H GLY 40 H GLY 40 -2.461 -7.062 -10.961 272 1HA GLY 40 1HA GLY 40 -1.743 -4.840 -11.054 273 2HA GLY 40 2HA GLY 40 -1.298 -5.407 -12.655 274 H GLY 41 H GLY 41 -3.914 -3.854 -10.828 275 1HA GLY 41 1HA GLY 41 -4.932 -1.833 -11.536 276 2HA GLY 41 2HA GLY 41 -4.434 -2.186 -13.181 277 H SER 42 H SER 42 -5.900 -4.730 -11.364 278 HA SER 42 HA SER 42 -8.486 -4.205 -12.656 279 1HB SER 42 1HB SER 42 -6.858 -6.034 -13.721 280 2HB SER 42 2HB SER 42 -7.588 -7.036 -12.467 281 HG SER 42 HG SER 42 -8.700 -6.981 -14.555 282 H CYS 43 H CYS 43 -6.945 -4.550 -9.828 283 HA CYS 43 HA CYS 43 -7.460 -5.405 -7.746 284 1HB CYS 43 1HB CYS 43 -9.620 -4.503 -6.943 285 2HB CYS 43 2HB CYS 43 -8.689 -3.310 -7.843 286 HG CYS 43 HG CYS 43 -11.117 -4.776 -9.125 287 H VAL 44 H VAL 44 -7.757 -7.409 -9.767 288 HA VAL 44 HA VAL 44 -10.164 -8.864 -8.937 289 HB VAL 44 HB VAL 44 -8.206 -9.507 -11.147 290 1HG1 VAL 44 1HG1 VAL 44 -10.570 -10.906 -10.041 291 2HG1 VAL 44 2HG1 VAL 44 -10.393 -10.884 -11.796 292 3HG1 VAL 44 3HG1 VAL 44 -9.111 -11.558 -10.789 293 1HG2 VAL 44 1HG2 VAL 44 -10.756 -7.967 -11.063 294 2HG2 VAL 44 2HG2 VAL 44 -9.277 -7.646 -11.966 295 3HG2 VAL 44 3HG2 VAL 44 -10.377 -8.918 -12.499 296 H CYS 45 H CYS 45 -6.910 -8.638 -8.170 297 HA CYS 45 HA CYS 45 -6.876 -11.389 -7.119 298 1HB CYS 45 1HB CYS 45 -4.633 -11.585 -7.580 299 2HB CYS 45 2HB CYS 45 -5.118 -10.519 -8.892 300 H ALA 46 H ALA 46 -4.698 -11.100 -5.402 301 HA ALA 46 HA ALA 46 -5.172 -8.893 -3.608 302 1HB ALA 46 1HB ALA 46 -6.087 -11.667 -2.919 303 2HB ALA 46 2HB ALA 46 -5.675 -10.486 -1.679 304 3HB ALA 46 3HB ALA 46 -6.982 -10.152 -2.813 305 H THR 47 H THR 47 -2.997 -10.376 -5.117 306 HA THR 47 HA THR 47 -1.272 -11.317 -2.982 307 HB THR 47 HB THR 47 0.263 -11.196 -5.285 308 HG1 THR 47 HG1 THR 47 -1.078 -11.990 -6.910 309 1HG2 THR 47 1HG2 THR 47 -1.092 -13.265 -3.758 310 2HG2 THR 47 2HG2 THR 47 -0.861 -13.679 -5.456 311 3HG2 THR 47 3HG2 THR 47 0.527 -13.241 -4.460 312 H CYS 48 H CYS 48 -2.151 -8.357 -3.860 313 HA CYS 48 HA CYS 48 0.512 -7.155 -3.885 314 1HB CYS 48 1HB CYS 48 -0.814 -5.012 -4.191 315 2HB CYS 48 2HB CYS 48 -0.949 -6.189 -5.493 316 H ARG 49 H ARG 49 -0.181 -8.455 -1.502 317 HA ARG 49 HA ARG 49 -1.353 -6.948 0.489 318 1HB ARG 49 1HB ARG 49 -0.533 -9.313 0.678 319 2HB ARG 49 2HB ARG 49 1.097 -8.677 0.856 320 1HG ARG 49 1HG ARG 49 0.784 -8.321 3.019 321 2HG ARG 49 2HG ARG 49 -0.678 -7.382 2.705 322 1HD ARG 49 1HD ARG 49 -1.827 -9.654 2.386 323 2HD ARG 49 2HD ARG 49 -0.402 -10.336 3.167 324 HE ARG 49 HE ARG 49 -2.549 -8.976 4.434 325 1HH1 ARG 49 1HH1 ARG 49 0.897 -9.458 4.585 326 2HH1 ARG 49 2HH1 ARG 49 0.996 -9.151 6.287 327 1HH2 ARG 49 1HH2 ARG 49 -2.432 -8.576 6.675 328 2HH2 ARG 49 2HH2 ARG 49 -0.899 -8.650 7.476 329 H ILE 50 H ILE 50 -0.961 -4.918 1.033 330 HA ILE 50 HA ILE 50 1.763 -4.107 1.670 331 HB ILE 50 HB ILE 50 0.066 -2.737 -0.408 332 1HG1 ILE 50 1HG1 ILE 50 2.861 -2.770 -0.965 333 2HG1 ILE 50 2HG1 ILE 50 2.391 -4.384 -0.441 334 1HG2 ILE 50 1HG2 ILE 50 0.742 -1.059 1.257 335 2HG2 ILE 50 2HG2 ILE 50 2.425 -1.535 1.035 336 3HG2 ILE 50 3HG2 ILE 50 1.530 -0.808 -0.300 337 1HD1 ILE 50 1HD1 ILE 50 0.397 -3.684 -2.201 338 2HD1 ILE 50 2HD1 ILE 50 1.853 -3.002 -2.928 339 3HD1 ILE 50 3HD1 ILE 50 1.780 -4.722 -2.547 340 H GLU 51 H GLU 51 1.842 -2.263 3.080 341 HA GLU 51 HA GLU 51 -0.743 -1.378 4.135 342 1HB GLU 51 1HB GLU 51 1.466 -2.654 5.737 343 2HB GLU 51 2HB GLU 51 0.204 -1.670 6.470 344 1HG GLU 51 1HG GLU 51 -1.054 -3.474 6.597 345 2HG GLU 51 2HG GLU 51 -1.121 -3.495 4.836 346 H ILE 52 H ILE 52 -0.811 0.699 4.682 347 HA ILE 52 HA ILE 52 1.346 2.455 4.066 348 HB ILE 52 HB ILE 52 -1.224 2.939 5.584 349 1HG1 ILE 52 1HG1 ILE 52 -1.263 2.183 3.115 350 2HG1 ILE 52 2HG1 ILE 52 -2.195 3.610 3.562 351 1HG2 ILE 52 1HG2 ILE 52 0.612 4.579 6.038 352 2HG2 ILE 52 2HG2 ILE 52 0.565 5.007 4.329 353 3HG2 ILE 52 3HG2 ILE 52 -0.853 5.272 5.344 354 1HD1 ILE 52 1HD1 ILE 52 -0.406 5.034 2.750 355 2HD1 ILE 52 2HD1 ILE 52 0.529 3.602 2.295 356 3HD1 ILE 52 3HD1 ILE 52 -1.002 3.956 1.489 357 H GLU 53 H GLU 53 2.679 3.723 5.555 358 HA GLU 53 HA GLU 53 3.367 2.303 7.886 359 1HB GLU 53 1HB GLU 53 5.021 3.826 8.122 360 2HB GLU 53 2HB GLU 53 4.457 4.460 6.588 361 1HG GLU 53 1HG GLU 53 4.378 6.388 7.710 362 2HG GLU 53 2HG GLU 53 2.848 5.763 8.285 363 H ASP 54 H ASP 54 3.024 3.125 10.222 364 HA ASP 54 HA ASP 54 0.195 3.503 10.559 365 1HB ASP 54 1HB ASP 54 2.308 2.432 12.113 366 2HB ASP 54 2HB ASP 54 1.564 3.717 13.060 367 H ALA 55 H ALA 55 1.886 5.768 9.556 368 HA ALA 55 HA ALA 55 1.082 7.803 11.509 369 1HB ALA 55 1HB ALA 55 3.564 7.550 10.753 370 2HB ALA 55 2HB ALA 55 3.004 8.339 9.276 371 3HB ALA 55 3HB ALA 55 2.842 9.156 10.831 372 H TRP 56 H TRP 56 0.857 6.595 8.290 373 HA TRP 56 HA TRP 56 -0.686 8.925 7.448 374 1HB TRP 56 1HB TRP 56 0.589 6.765 5.814 375 2HB TRP 56 2HB TRP 56 -0.193 8.214 5.194 376 HD1 TRP 56 HD1 TRP 56 2.653 7.352 7.614 377 HE1 TRP 56 HE1 TRP 56 4.457 9.150 7.411 378 HE3 TRP 56 HE3 TRP 56 0.336 10.291 4.172 379 HZ2 TRP 56 HZ2 TRP 56 4.855 11.518 5.939 380 HZ3 TRP 56 HZ3 TRP 56 1.537 12.299 3.373 381 HH2 TRP 56 HH2 TRP 56 3.718 12.900 4.229 382 H VAL 57 H VAL 57 -1.472 6.033 8.697 383 HA VAL 57 HA VAL 57 -3.303 5.102 6.758 384 HB VAL 57 HB VAL 57 -3.475 4.791 9.753 385 1HG1 VAL 57 1HG1 VAL 57 -5.477 4.305 8.320 386 2HG1 VAL 57 2HG1 VAL 57 -4.525 3.026 7.568 387 3HG1 VAL 57 3HG1 VAL 57 -4.888 2.951 9.294 388 1HG2 VAL 57 1HG2 VAL 57 -1.316 4.196 8.580 389 2HG2 VAL 57 2HG2 VAL 57 -2.077 2.924 9.548 390 3HG2 VAL 57 3HG2 VAL 57 -2.228 2.915 7.788 391 H GLU 58 H GLU 58 -3.379 7.374 9.384 392 HA GLU 58 HA GLU 58 -6.185 7.960 9.041 393 1HB GLU 58 1HB GLU 58 -4.011 9.195 10.737 394 2HB GLU 58 2HB GLU 58 -5.639 9.857 10.662 395 1HG GLU 58 1HG GLU 58 -6.576 7.964 11.677 396 2HG GLU 58 2HG GLU 58 -5.125 6.998 11.405 397 H ILE 59 H ILE 59 -3.463 8.561 7.340 398 HA ILE 59 HA ILE 59 -4.305 11.241 6.413 399 HB ILE 59 HB ILE 59 -1.710 9.756 6.254 400 1HG1 ILE 59 1HG1 ILE 59 -1.943 12.645 6.796 401 2HG1 ILE 59 2HG1 ILE 59 -2.538 11.548 8.038 402 1HG2 ILE 59 1HG2 ILE 59 -2.783 11.657 4.295 403 2HG2 ILE 59 2HG2 ILE 59 -1.150 12.000 4.867 404 3HG2 ILE 59 3HG2 ILE 59 -1.518 10.441 4.126 405 1HD1 ILE 59 1HD1 ILE 59 0.057 10.804 6.991 406 2HD1 ILE 59 2HD1 ILE 59 0.035 12.403 7.738 407 3HD1 ILE 59 3HD1 ILE 59 -0.490 10.996 8.658 408 H VAL 60 H VAL 60 -3.608 7.973 5.502 409 HA VAL 60 HA VAL 60 -4.028 8.424 2.684 410 HB VAL 60 HB VAL 60 -3.420 5.970 4.316 411 1HG1 VAL 60 1HG1 VAL 60 -3.866 6.246 1.354 412 2HG1 VAL 60 2HG1 VAL 60 -2.962 4.909 2.065 413 3HG1 VAL 60 3HG1 VAL 60 -4.663 5.143 2.482 414 1HG2 VAL 60 1HG2 VAL 60 -1.753 7.997 3.690 415 2HG2 VAL 60 2HG2 VAL 60 -1.240 6.314 3.851 416 3HG2 VAL 60 3HG2 VAL 60 -1.568 6.981 2.254 417 H GLY 61 H GLY 61 -5.458 6.253 5.110 418 1HA GLY 61 1HA GLY 61 -7.534 5.199 5.089 419 2HA GLY 61 2HA GLY 61 -8.133 6.769 4.546 420 H GLU 62 H GLU 62 -6.370 3.966 3.342 421 HA GLU 62 HA GLU 62 -6.582 4.311 0.663 422 1HB GLU 62 1HB GLU 62 -6.598 1.810 2.327 423 2HB GLU 62 2HB GLU 62 -6.556 1.749 0.572 424 1HG GLU 62 1HG GLU 62 -4.528 3.342 0.819 425 2HG GLU 62 2HG GLU 62 -4.493 2.752 2.480 426 H ALA 63 H ALA 63 -8.306 1.463 0.906 427 HA ALA 63 HA ALA 63 -10.548 2.707 -0.334 428 1HB ALA 63 1HB ALA 63 -9.456 0.007 -0.232 429 2HB ALA 63 2HB ALA 63 -11.221 0.075 -0.227 430 3HB ALA 63 3HB ALA 63 -10.311 0.834 -1.536 431 H ASN 64 H ASN 64 -12.673 1.292 0.206 432 HA ASN 64 HA ASN 64 -13.371 2.074 2.895 433 1HB ASN 64 1HB ASN 64 -15.657 1.072 1.747 434 2HB ASN 64 2HB ASN 64 -15.172 2.758 1.701 435 1HD2 ASN 64 2HD2 ASN 64 -14.381 -0.247 -0.019 436 2HD2 ASN 64 1HD2 ASN 64 -14.518 0.426 -1.605 437 HA PRO 65 HA PRO 65 -13.907 -1.877 4.709 438 1HB PRO 65 1HB PRO 65 -16.834 -1.599 4.925 439 2HB PRO 65 2HB PRO 65 -15.617 -1.675 6.202 440 1HG PRO 65 1HG PRO 65 -16.893 0.613 5.628 441 2HG PRO 65 2HG PRO 65 -15.184 0.602 6.107 442 1HD PRO 65 1HD PRO 65 -16.375 0.826 3.363 443 2HD PRO 65 2HD PRO 65 -15.026 1.740 4.066 444 H ASP 66 H ASP 66 -15.268 -1.312 1.713 445 HA ASP 66 HA ASP 66 -16.522 -3.924 1.438 446 1HB ASP 66 1HB ASP 66 -16.059 -1.877 -0.737 447 2HB ASP 66 2HB ASP 66 -17.221 -3.201 -0.733 448 H GLU 67 H GLU 67 -13.865 -2.107 -0.093 449 HA GLU 67 HA GLU 67 -12.836 -4.245 -1.604 450 1HB GLU 67 1HB GLU 67 -11.188 -2.016 -0.405 451 2HB GLU 67 2HB GLU 67 -10.864 -2.920 -1.878 452 1HG GLU 67 1HG GLU 67 -13.413 -1.438 -1.768 453 2HG GLU 67 2HG GLU 67 -11.937 -0.479 -1.862 454 H ASN 68 H ASN 68 -12.652 -3.437 1.734 455 HA ASN 68 HA ASN 68 -10.480 -5.297 2.283 456 1HB ASN 68 1HB ASN 68 -10.369 -3.321 3.595 457 2HB ASN 68 2HB ASN 68 -12.081 -3.399 3.995 458 1HD2 ASN 68 2HD2 ASN 68 -9.582 -5.900 4.099 459 2HD2 ASN 68 1HD2 ASN 68 -9.734 -6.225 5.789 460 H ASP 69 H ASP 69 -13.950 -5.092 2.463 461 HA ASP 69 HA ASP 69 -14.533 -7.106 4.279 462 1HB ASP 69 1HB ASP 69 -16.295 -5.721 3.374 463 2HB ASP 69 2HB ASP 69 -15.988 -6.319 1.746 464 H LEU 70 H LEU 70 -13.950 -7.352 0.785 465 HA LEU 70 HA LEU 70 -14.351 -10.059 0.430 466 1HB LEU 70 1HB LEU 70 -12.703 -9.896 -1.428 467 2HB LEU 70 2HB LEU 70 -13.939 -8.652 -1.460 468 HG LEU 70 HG LEU 70 -12.014 -7.340 -0.103 469 1HD1 LEU 70 1HD1 LEU 70 -10.713 -9.629 -1.288 470 2HD1 LEU 70 2HD1 LEU 70 -10.058 -8.116 -1.914 471 3HD1 LEU 70 3HD1 LEU 70 -10.075 -8.419 -0.177 472 1HD2 LEU 70 1HD2 LEU 70 -13.236 -7.161 -2.560 473 2HD2 LEU 70 2HD2 LEU 70 -12.119 -5.982 -1.872 474 3HD2 LEU 70 3HD2 LEU 70 -11.522 -7.225 -2.971 475 H LEU 71 H LEU 71 -11.514 -8.384 1.696 476 HA LEU 71 HA LEU 71 -9.885 -10.725 1.872 477 1HB LEU 71 1HB LEU 71 -9.707 -7.908 2.816 478 2HB LEU 71 2HB LEU 71 -8.714 -9.094 3.639 479 HG LEU 71 HG LEU 71 -8.536 -8.104 0.825 480 1HD1 LEU 71 1HD1 LEU 71 -6.793 -8.331 3.212 481 2HD1 LEU 71 2HD1 LEU 71 -6.036 -8.454 1.624 482 3HD1 LEU 71 3HD1 LEU 71 -6.964 -7.016 2.050 483 1HD2 LEU 71 1HD2 LEU 71 -7.921 -10.857 1.774 484 2HD2 LEU 71 2HD2 LEU 71 -8.521 -10.309 0.209 485 3HD2 LEU 71 3HD2 LEU 71 -6.822 -10.089 0.628 486 H GLN 72 H GLN 72 -11.949 -8.938 4.104 487 HA GLN 72 HA GLN 72 -11.326 -10.230 6.477 488 1HB GLN 72 1HB GLN 72 -13.825 -8.931 5.447 489 2HB GLN 72 2HB GLN 72 -13.828 -9.730 7.013 490 1HG GLN 72 1HG GLN 72 -11.554 -7.992 6.781 491 2HG GLN 72 2HG GLN 72 -13.045 -7.116 6.434 492 1HE2 GLN 72 2HE2 GLN 72 -11.081 -8.524 8.831 493 2HE2 GLN 72 1HE2 GLN 72 -12.096 -8.196 10.190 494 H SER 73 H SER 73 -13.546 -11.210 3.913 495 HA SER 73 HA SER 73 -14.800 -13.342 5.182 496 1HB SER 73 1HB SER 73 -15.742 -13.716 3.161 497 2HB SER 73 2HB SER 73 -14.912 -12.237 2.681 498 HG SER 73 HG SER 73 -14.461 -14.812 1.918 499 H THR 74 H THR 74 -11.587 -13.095 3.890 500 HA THR 74 HA THR 74 -10.895 -15.707 3.393 501 HB THR 74 HB THR 74 -8.605 -15.082 3.888 502 HG1 THR 74 HG1 THR 74 -8.099 -13.503 5.214 503 1HG2 THR 74 1HG2 THR 74 -10.320 -13.123 2.488 504 2HG2 THR 74 2HG2 THR 74 -8.665 -12.641 2.867 505 3HG2 THR 74 3HG2 THR 74 -8.964 -14.081 1.893 506 H GLY 75 H GLY 75 -10.778 -14.038 6.535 507 1HA GLY 75 1HA GLY 75 -11.690 -15.487 8.397 508 2HA GLY 75 2HA GLY 75 -10.539 -16.685 7.823 509 H GLU 76 H GLU 76 -8.516 -14.633 7.230 510 HA GLU 76 HA GLU 76 -7.612 -14.183 9.990 511 1HB GLU 76 1HB GLU 76 -6.176 -14.707 7.413 512 2HB GLU 76 2HB GLU 76 -5.352 -13.834 8.698 513 1HG GLU 76 1HG GLU 76 -6.386 -15.971 10.040 514 2HG GLU 76 2HG GLU 76 -6.005 -16.670 8.467 515 HA PRO 77 HA PRO 77 -8.353 -9.852 9.244 516 1HB PRO 77 1HB PRO 77 -7.105 -8.943 11.497 517 2HB PRO 77 2HB PRO 77 -8.734 -9.630 11.491 518 1HG PRO 77 1HG PRO 77 -6.133 -10.931 12.201 519 2HG PRO 77 2HG PRO 77 -7.703 -11.046 13.019 520 1HD PRO 77 1HD PRO 77 -6.808 -12.985 11.379 521 2HD PRO 77 2HD PRO 77 -8.531 -12.570 11.489 522 H MET 78 H MET 78 -6.755 -7.813 9.847 523 HA MET 78 HA MET 78 -4.178 -8.415 8.555 524 1HB MET 78 1HB MET 78 -5.825 -5.916 8.142 525 2HB MET 78 2HB MET 78 -4.310 -6.318 7.345 526 1HG MET 78 1HG MET 78 -5.310 -8.030 6.080 527 2HG MET 78 2HG MET 78 -6.765 -8.019 7.075 528 1HE MET 78 1HE MET 78 -8.233 -5.800 7.323 529 2HE MET 78 2HE MET 78 -6.946 -4.598 7.230 530 3HE MET 78 3HE MET 78 -8.303 -4.524 6.107 531 H THR 79 H THR 79 -3.056 -5.903 8.699 532 HA THR 79 HA THR 79 -2.736 -5.582 11.605 533 HB THR 79 HB THR 79 -0.514 -4.916 11.238 534 HG1 THR 79 HG1 THR 79 -0.720 -4.806 8.460 535 1HG2 THR 79 1HG2 THR 79 -1.313 -7.331 10.170 536 2HG2 THR 79 2HG2 THR 79 -0.299 -6.618 8.914 537 3HG2 THR 79 3HG2 THR 79 0.339 -6.837 10.544 538 H ALA 80 H ALA 80 -1.368 -3.105 11.478 539 HA ALA 80 HA ALA 80 -3.646 -1.336 11.273 540 1HB ALA 80 1HB ALA 80 -0.850 -1.046 12.304 541 2HB ALA 80 2HB ALA 80 -1.864 0.374 12.037 542 3HB ALA 80 3HB ALA 80 -2.380 -0.881 13.165 543 H GLY 81 H GLY 81 -4.076 0.042 9.655 544 1HA GLY 81 1HA GLY 81 -3.764 1.355 7.785 545 2HA GLY 81 2HA GLY 81 -2.033 1.123 7.970 546 H THR 82 H THR 82 -3.750 -1.786 7.913 547 HA THR 82 HA THR 82 -2.579 -2.523 5.408 548 HB THR 82 HB THR 82 -4.615 -4.274 6.661 549 HG1 THR 82 HG1 THR 82 -2.375 -3.281 7.999 550 1HG2 THR 82 1HG2 THR 82 -2.585 -4.643 4.861 551 2HG2 THR 82 2HG2 THR 82 -1.907 -5.259 6.366 552 3HG2 THR 82 3HG2 THR 82 -3.426 -5.910 5.754 553 H ARG 83 H ARG 83 -3.438 -2.312 3.460 554 HA ARG 83 HA ARG 83 -6.156 -2.840 2.876 555 1HB ARG 83 1HB ARG 83 -5.408 -0.063 3.478 556 2HB ARG 83 2HB ARG 83 -6.256 -0.269 1.952 557 1HG ARG 83 1HG ARG 83 -7.695 -1.803 3.767 558 2HG ARG 83 2HG ARG 83 -7.275 -0.333 4.648 559 1HD ARG 83 1HD ARG 83 -8.280 -0.062 1.869 560 2HD ARG 83 2HD ARG 83 -9.437 -0.493 3.124 561 HE ARG 83 HE ARG 83 -8.400 2.077 2.660 562 1HH1 ARG 83 1HH1 ARG 83 -9.026 -0.126 5.290 563 2HH1 ARG 83 2HH1 ARG 83 -9.280 1.130 6.456 564 1HH2 ARG 83 1HH2 ARG 83 -8.740 3.739 4.196 565 2HH2 ARG 83 2HH2 ARG 83 -9.115 3.327 5.835 566 H LEU 84 H LEU 84 -6.628 -2.701 0.603 567 HA LEU 84 HA LEU 84 -4.672 -3.578 -1.085 568 1HB LEU 84 1HB LEU 84 -7.171 -2.010 -1.674 569 2HB LEU 84 2HB LEU 84 -6.132 -2.609 -2.953 570 HG LEU 84 HG LEU 84 -7.454 -4.361 -0.881 571 1HD1 LEU 84 1HD1 LEU 84 -8.442 -3.218 -3.376 572 2HD1 LEU 84 2HD1 LEU 84 -8.578 -4.973 -3.296 573 3HD1 LEU 84 3HD1 LEU 84 -9.319 -3.974 -2.046 574 1HD2 LEU 84 1HD2 LEU 84 -5.962 -5.001 -3.423 575 2HD2 LEU 84 2HD2 LEU 84 -5.426 -5.332 -1.776 576 3HD2 LEU 84 3HD2 LEU 84 -6.830 -6.173 -2.431 577 H SER 85 H SER 85 -2.947 -2.727 -2.050 578 HA SER 85 HA SER 85 -2.440 0.118 -1.743 579 1HB SER 85 1HB SER 85 -0.394 -0.709 -1.332 580 2HB SER 85 2HB SER 85 -0.827 -2.286 -1.991 581 HG SER 85 HG SER 85 -0.135 -0.030 -3.565 582 H CYS 86 H CYS 86 -3.071 -2.214 -4.284 583 HA CYS 86 HA CYS 86 -2.475 -0.298 -6.379 584 1HB CYS 86 1HB CYS 86 -2.664 -2.046 -7.881 585 2HB CYS 86 2HB CYS 86 -2.148 -2.895 -6.429 586 H GLN 87 H GLN 87 -4.721 0.063 -4.377 587 HA GLN 87 HA GLN 87 -6.839 0.510 -6.369 588 1HB GLN 87 1HB GLN 87 -6.947 -0.975 -3.868 589 2HB GLN 87 2HB GLN 87 -8.160 0.295 -3.941 590 1HG GLN 87 1HG GLN 87 -7.822 -1.548 -6.259 591 2HG GLN 87 2HG GLN 87 -8.695 -2.092 -4.828 592 1HE2 GLN 87 2HE2 GLN 87 -9.908 -1.897 -7.298 593 2HE2 GLN 87 1HE2 GLN 87 -11.081 -0.629 -7.259 594 H VAL 88 H VAL 88 -4.776 1.886 -4.058 595 HA VAL 88 HA VAL 88 -6.516 4.232 -3.800 596 HB VAL 88 HB VAL 88 -4.139 3.490 -2.101 597 1HG1 VAL 88 1HG1 VAL 88 -6.054 5.729 -2.205 598 2HG1 VAL 88 2HG1 VAL 88 -5.571 5.154 -0.610 599 3HG1 VAL 88 3HG1 VAL 88 -4.352 5.708 -1.755 600 1HG2 VAL 88 1HG2 VAL 88 -6.511 2.135 -2.140 601 2HG2 VAL 88 2HG2 VAL 88 -5.439 2.257 -0.750 602 3HG2 VAL 88 3HG2 VAL 88 -6.814 3.349 -0.899 603 H PHE 89 H PHE 89 -5.375 6.347 -3.862 604 HA PHE 89 HA PHE 89 -2.798 6.278 -5.203 605 1HB PHE 89 1HB PHE 89 -5.192 7.611 -6.457 606 2HB PHE 89 2HB PHE 89 -3.547 7.584 -7.096 607 HD1 PHE 89 HD1 PHE 89 -6.554 5.606 -6.452 608 HD2 PHE 89 HD2 PHE 89 -2.626 5.623 -8.098 609 HE1 PHE 89 HE1 PHE 89 -7.020 3.460 -7.557 610 HE2 PHE 89 HE2 PHE 89 -3.080 3.466 -9.215 611 HZ PHE 89 HZ PHE 89 -5.284 2.382 -8.948 612 H ILE 90 H ILE 90 -1.580 8.031 -5.088 613 HA ILE 90 HA ILE 90 -1.611 9.675 -2.936 614 HB ILE 90 HB ILE 90 -0.424 10.056 -5.672 615 1HG1 ILE 90 1HG1 ILE 90 0.101 8.194 -3.764 616 2HG1 ILE 90 2HG1 ILE 90 1.272 8.756 -4.951 617 1HG2 ILE 90 1HG2 ILE 90 0.024 11.647 -3.169 618 2HG2 ILE 90 2HG2 ILE 90 1.201 11.549 -4.477 619 3HG2 ILE 90 3HG2 ILE 90 -0.391 12.239 -4.773 620 1HD1 ILE 90 1HD1 ILE 90 2.015 10.475 -3.300 621 2HD1 ILE 90 2HD1 ILE 90 0.944 9.702 -2.124 622 3HD1 ILE 90 3HD1 ILE 90 2.294 8.797 -2.802 623 H ASP 91 H ASP 91 -1.748 12.037 -2.829 624 HA ASP 91 HA ASP 91 -3.160 13.686 -4.558 625 1HB ASP 91 1HB ASP 91 -5.365 13.458 -3.950 626 2HB ASP 91 2HB ASP 91 -4.869 11.877 -3.369 627 HA PRO 92 HA PRO 92 -1.441 16.523 -1.588 628 1HB PRO 92 1HB PRO 92 -3.932 18.105 -1.409 629 2HB PRO 92 2HB PRO 92 -2.346 18.581 -2.030 630 1HG PRO 92 1HG PRO 92 -4.421 18.184 -3.682 631 2HG PRO 92 2HG PRO 92 -2.771 17.723 -4.145 632 1HD PRO 92 1HD PRO 92 -4.999 15.999 -3.117 633 2HD PRO 92 2HD PRO 92 -3.865 15.684 -4.449 634 H SER 93 H SER 93 -2.500 14.260 -0.490 635 HA SER 93 HA SER 93 -3.281 15.125 2.182 636 1HB SER 93 1HB SER 93 -5.222 13.935 2.195 637 2HB SER 93 2HB SER 93 -5.101 14.032 0.432 638 HG SER 93 HG SER 93 -5.372 11.872 1.460 639 H MET 94 H MET 94 -2.050 12.660 0.009 640 HA MET 94 HA MET 94 -0.663 11.308 2.210 641 1HB MET 94 1HB MET 94 -1.639 10.350 -0.482 642 2HB MET 94 2HB MET 94 -0.520 9.423 0.497 643 1HG MET 94 1HG MET 94 -2.106 8.950 2.098 644 2HG MET 94 2HG MET 94 -3.099 10.339 1.671 645 1HE MET 94 1HE MET 94 -1.357 7.476 0.158 646 2HE MET 94 2HE MET 94 -2.641 6.302 -0.132 647 3HE MET 94 3HE MET 94 -2.163 7.418 -1.411 648 H ASP 95 H ASP 95 0.427 13.639 1.255 649 HA ASP 95 HA ASP 95 2.337 12.987 -0.742 650 1HB ASP 95 1HB ASP 95 2.414 15.577 0.709 651 2HB ASP 95 2HB ASP 95 2.608 15.269 -1.001 652 H GLY 96 H GLY 96 4.328 12.279 -0.292 653 1HA GLY 96 1HA GLY 96 6.265 11.910 0.957 654 2HA GLY 96 2HA GLY 96 5.639 13.024 2.169 655 H LEU 97 H LEU 97 3.721 10.455 0.883 656 HA LEU 97 HA LEU 97 3.168 9.446 3.467 657 1HB LEU 97 1HB LEU 97 1.434 8.360 2.528 658 2HB LEU 97 2HB LEU 97 1.739 9.519 1.250 659 HG LEU 97 HG LEU 97 3.346 7.280 0.665 660 1HD1 LEU 97 1HD1 LEU 97 1.828 6.107 2.302 661 2HD1 LEU 97 2HD1 LEU 97 0.507 6.430 1.180 662 3HD1 LEU 97 3HD1 LEU 97 1.869 5.430 0.676 663 1HD2 LEU 97 1HD2 LEU 97 2.293 8.839 -0.911 664 2HD2 LEU 97 2HD2 LEU 97 1.929 7.160 -1.304 665 3HD2 LEU 97 3HD2 LEU 97 0.714 8.164 -0.512 666 H ILE 98 H ILE 98 3.508 7.437 4.326 667 HA ILE 98 HA ILE 98 5.875 6.079 3.254 668 HB ILE 98 HB ILE 98 4.974 6.172 6.110 669 1HG1 ILE 98 1HG1 ILE 98 6.954 7.571 6.493 670 2HG1 ILE 98 2HG1 ILE 98 7.306 7.537 4.766 671 1HG2 ILE 98 1HG2 ILE 98 6.507 4.252 4.883 672 2HG2 ILE 98 2HG2 ILE 98 7.701 5.334 5.600 673 3HG2 ILE 98 3HG2 ILE 98 6.460 4.597 6.612 674 1HD1 ILE 98 1HD1 ILE 98 4.609 8.363 5.370 675 2HD1 ILE 98 2HD1 ILE 98 5.831 9.437 6.053 676 3HD1 ILE 98 3HD1 ILE 98 5.807 9.104 4.321 677 H VAL 99 H VAL 99 5.689 4.048 2.633 678 HA VAL 99 HA VAL 99 3.250 2.669 3.343 679 HB VAL 99 HB VAL 99 4.989 1.381 1.389 680 1HG1 VAL 99 1HG1 VAL 99 2.161 1.770 2.114 681 2HG1 VAL 99 2HG1 VAL 99 2.497 1.586 0.381 682 3HG1 VAL 99 3HG1 VAL 99 2.995 0.328 1.515 683 1HG2 VAL 99 1HG2 VAL 99 3.549 3.978 0.823 684 2HG2 VAL 99 2HG2 VAL 99 5.289 3.711 0.740 685 3HG2 VAL 99 3HG2 VAL 99 4.216 2.899 -0.401 686 H ARG 100 H ARG 100 3.680 0.113 3.286 687 HA ARG 100 HA ARG 100 6.087 -0.729 4.623 688 1HB ARG 100 1HB ARG 100 3.621 -0.096 6.156 689 2HB ARG 100 2HB ARG 100 4.447 -1.585 6.583 690 1HG ARG 100 1HG ARG 100 5.963 0.984 6.425 691 2HG ARG 100 2HG ARG 100 5.004 0.597 7.846 692 1HD ARG 100 1HD ARG 100 6.762 -1.558 6.894 693 2HD ARG 100 2HD ARG 100 7.592 -0.123 7.497 694 HE ARG 100 HE ARG 100 6.182 -2.063 9.041 695 1HH1 ARG 100 1HH1 ARG 100 7.055 1.307 8.891 696 2HH1 ARG 100 2HH1 ARG 100 6.938 1.546 10.602 697 1HH2 ARG 100 1HH2 ARG 100 6.023 -1.754 11.294 698 2HH2 ARG 100 2HH2 ARG 100 6.352 -0.193 11.968 699 H VAL 101 H VAL 101 6.316 -2.982 4.628 700 HA VAL 101 HA VAL 101 3.999 -4.589 3.825 701 HB VAL 101 HB VAL 101 6.643 -5.112 2.516 702 1HG1 VAL 101 1HG1 VAL 101 3.791 -5.837 1.942 703 2HG1 VAL 101 2HG1 VAL 101 5.089 -6.064 0.769 704 3HG1 VAL 101 3HG1 VAL 101 5.141 -6.909 2.315 705 1HG2 VAL 101 1HG2 VAL 101 5.560 -2.713 2.133 706 2HG2 VAL 101 2HG2 VAL 101 6.357 -3.613 0.844 707 3HG2 VAL 101 3HG2 VAL 101 4.598 -3.632 0.977 708 HA PRO 102 HA PRO 102 6.414 -6.551 7.238 709 1HB PRO 102 1HB PRO 102 4.319 -7.071 8.835 710 2HB PRO 102 2HB PRO 102 5.075 -5.474 8.777 711 1HG PRO 102 1HG PRO 102 2.580 -6.437 7.431 712 2HG PRO 102 2HG PRO 102 2.871 -4.910 8.285 713 1HD PRO 102 1HD PRO 102 2.949 -5.145 5.568 714 2HD PRO 102 2HD PRO 102 3.899 -3.948 6.470 715 H LEU 103 H LEU 103 5.801 -8.704 8.410 716 HA LEU 103 HA LEU 103 5.396 -10.662 6.338 717 1HB LEU 103 1HB LEU 103 5.519 -11.554 9.147 718 2HB LEU 103 2HB LEU 103 6.384 -12.143 7.741 719 HG LEU 103 HG LEU 103 7.066 -9.705 9.383 720 1HD1 LEU 103 1HD1 LEU 103 8.205 -12.457 9.115 721 2HD1 LEU 103 2HD1 LEU 103 9.243 -11.102 9.560 722 3HD1 LEU 103 3HD1 LEU 103 7.861 -11.524 10.572 723 1HD2 LEU 103 1HD2 LEU 103 7.813 -10.495 6.660 724 2HD2 LEU 103 2HD2 LEU 103 7.900 -8.921 7.452 725 3HD2 LEU 103 3HD2 LEU 103 9.173 -10.112 7.714 726 HA PRO 104 HA PRO 104 0.984 -10.995 6.815 727 1HB PRO 104 1HB PRO 104 1.535 -13.717 5.740 728 2HB PRO 104 2HB PRO 104 0.385 -12.497 5.180 729 1HG PRO 104 1HG PRO 104 2.636 -12.949 3.839 730 2HG PRO 104 2HG PRO 104 2.014 -11.300 4.037 731 1HD PRO 104 1HD PRO 104 4.273 -12.656 5.447 732 2HD PRO 104 2HD PRO 104 4.127 -10.969 4.909 733 H ALA 105 H ALA 105 0.740 -11.108 9.043 734 HA ALA 105 HA ALA 105 0.512 -13.819 10.116 735 1HB ALA 105 1HB ALA 105 2.632 -12.125 10.801 736 2HB ALA 105 2HB ALA 105 1.524 -12.085 12.172 737 3HB ALA 105 3HB ALA 105 2.156 -13.625 11.595 Start of MODEL 3 1 2H PRO 1 2H PRO 1 4.218 14.960 -5.372 2 1H PRO 1 1H PRO 1 4.943 13.494 -5.578 3 HA PRO 1 HA PRO 1 4.831 15.037 -3.394 4 1HB PRO 1 1HB PRO 1 3.769 12.398 -2.595 5 2HB PRO 1 2HB PRO 1 3.474 13.980 -1.906 6 1HG PRO 1 1HG PRO 1 1.609 12.902 -3.318 7 2HG PRO 1 2HG PRO 1 2.010 14.606 -3.595 8 1HD PRO 1 1HD PRO 1 2.982 12.198 -5.127 9 2HD PRO 1 2HD PRO 1 2.177 13.634 -5.763 10 H ARG 2 H ARG 2 5.527 13.270 -1.510 11 HA ARG 2 HA ARG 2 7.887 11.865 -2.642 12 1HB ARG 2 1HB ARG 2 8.893 13.535 -1.380 13 2HB ARG 2 2HB ARG 2 7.575 13.594 -0.218 14 1HG ARG 2 1HG ARG 2 8.329 11.592 0.845 15 2HG ARG 2 2HG ARG 2 9.530 11.316 -0.419 16 1HD ARG 2 1HD ARG 2 11.006 12.658 0.574 17 2HD ARG 2 2HD ARG 2 9.812 13.940 0.765 18 HE ARG 2 HE ARG 2 9.367 13.187 2.911 19 1HH1 ARG 2 1HH1 ARG 2 11.537 11.011 1.270 20 2HH1 ARG 2 2HH1 ARG 2 11.974 10.154 2.710 21 1HH2 ARG 2 1HH2 ARG 2 9.937 12.064 4.813 22 2HH2 ARG 2 2HH2 ARG 2 11.063 10.752 4.723 23 H VAL 3 H VAL 3 8.560 9.894 -1.180 24 HA VAL 3 HA VAL 3 6.445 8.978 0.525 25 HB VAL 3 HB VAL 3 6.505 8.286 -2.304 26 1HG1 VAL 3 1HG1 VAL 3 7.292 6.171 -0.968 27 2HG1 VAL 3 2HG1 VAL 3 5.575 6.079 -0.601 28 3HG1 VAL 3 3HG1 VAL 3 6.113 6.100 -2.283 29 1HG2 VAL 3 1HG2 VAL 3 4.641 8.574 -0.067 30 2HG2 VAL 3 2HG2 VAL 3 4.542 9.157 -1.740 31 3HG2 VAL 3 3HG2 VAL 3 4.196 7.464 -1.374 32 H VAL 4 H VAL 4 6.759 6.796 1.299 33 HA VAL 4 HA VAL 4 9.433 5.763 1.004 34 HB VAL 4 HB VAL 4 8.524 6.968 3.589 35 1HG1 VAL 4 1HG1 VAL 4 10.046 4.485 3.199 36 2HG1 VAL 4 2HG1 VAL 4 10.831 5.670 4.248 37 3HG1 VAL 4 3HG1 VAL 4 9.209 5.087 4.632 38 1HG2 VAL 4 1HG2 VAL 4 10.821 7.184 1.714 39 2HG2 VAL 4 2HG2 VAL 4 9.893 8.460 2.508 40 3HG2 VAL 4 3HG2 VAL 4 11.088 7.537 3.422 41 H PHE 5 H PHE 5 9.121 3.819 0.563 42 HA PHE 5 HA PHE 5 6.883 2.274 1.629 43 1HB PHE 5 1HB PHE 5 9.040 1.789 -0.399 44 2HB PHE 5 2HB PHE 5 7.984 0.502 0.141 45 HD1 PHE 5 HD1 PHE 5 6.734 3.984 -0.424 46 HD2 PHE 5 HD2 PHE 5 7.134 0.045 -1.968 47 HE1 PHE 5 HE1 PHE 5 5.188 4.523 -2.233 48 HE2 PHE 5 HE2 PHE 5 5.600 0.553 -3.748 49 HZ PHE 5 HZ PHE 5 4.577 2.798 -3.896 50 H ILE 6 H ILE 6 7.570 -0.067 2.218 51 HA ILE 6 HA ILE 6 10.126 -0.358 3.491 52 HB ILE 6 HB ILE 6 7.631 -0.790 5.097 53 1HG1 ILE 6 1HG1 ILE 6 7.987 1.638 4.493 54 2HG1 ILE 6 2HG1 ILE 6 8.030 1.306 6.220 55 1HG2 ILE 6 1HG2 ILE 6 10.512 -1.130 5.443 56 2HG2 ILE 6 2HG2 ILE 6 9.642 -0.477 6.832 57 3HG2 ILE 6 3HG2 ILE 6 9.166 -2.027 6.139 58 1HD1 ILE 6 1HD1 ILE 6 10.618 1.140 4.939 59 2HD1 ILE 6 2HD1 ILE 6 9.862 2.719 4.781 60 3HD1 ILE 6 3HD1 ILE 6 10.124 2.024 6.382 61 H ASP 7 H ASP 7 10.398 -2.616 4.314 62 HA ASP 7 HA ASP 7 8.515 -4.624 3.673 63 1HB ASP 7 1HB ASP 7 9.557 -3.720 1.421 64 2HB ASP 7 2HB ASP 7 10.864 -4.820 1.852 65 H GLU 8 H GLU 8 10.144 -6.787 3.203 66 HA GLU 8 HA GLU 8 11.774 -6.834 5.647 67 1HB GLU 8 1HB GLU 8 10.392 -8.524 6.175 68 2HB GLU 8 2HB GLU 8 9.776 -8.638 4.535 69 1HG GLU 8 1HG GLU 8 10.695 -10.723 4.935 70 2HG GLU 8 2HG GLU 8 11.944 -9.896 4.010 71 H GLN 9 H GLN 9 12.104 -6.665 2.376 72 HA GLN 9 HA GLN 9 14.371 -8.479 2.167 73 1HB GLN 9 1HB GLN 9 12.832 -6.789 0.232 74 2HB GLN 9 2HB GLN 9 14.436 -7.361 -0.201 75 1HG GLN 9 1HG GLN 9 13.666 -9.679 0.268 76 2HG GLN 9 2HG GLN 9 12.041 -9.036 0.501 77 1HE2 GLN 9 2HE2 GLN 9 14.657 -8.621 -1.867 78 2HE2 GLN 9 1HE2 GLN 9 13.662 -8.846 -3.261 79 H SER 10 H SER 10 13.690 -5.024 2.209 80 HA SER 10 HA SER 10 16.564 -4.538 2.624 81 1HB SER 10 1HB SER 10 15.734 -3.836 0.328 82 2HB SER 10 2HB SER 10 14.744 -2.631 1.149 83 HG SER 10 HG SER 10 17.471 -2.694 0.723 84 H GLY 11 H GLY 11 13.565 -4.428 3.950 85 1HA GLY 11 1HA GLY 11 12.690 -3.431 5.809 86 2HA GLY 11 2HA GLY 11 14.341 -3.011 6.226 87 H GLU 12 H GLU 12 13.198 -1.868 3.229 88 HA GLU 12 HA GLU 12 11.804 0.410 3.798 89 1HB GLU 12 1HB GLU 12 13.400 1.351 5.205 90 2HB GLU 12 2HB GLU 12 14.745 0.777 4.225 91 1HG GLU 12 1HG GLU 12 14.204 2.390 2.494 92 2HG GLU 12 2HG GLU 12 12.811 2.941 3.423 93 H TYR 13 H TYR 13 11.389 1.635 2.065 94 HA TYR 13 HA TYR 13 12.981 1.329 -0.341 95 1HB TYR 13 1HB TYR 13 10.140 0.399 -0.038 96 2HB TYR 13 2HB TYR 13 10.831 0.789 -1.612 97 HD1 TYR 13 HD1 TYR 13 11.431 -1.308 1.403 98 HD2 TYR 13 HD2 TYR 13 12.014 -0.836 -2.771 99 HE1 TYR 13 HE1 TYR 13 12.447 -3.553 1.307 100 HE2 TYR 13 HE2 TYR 13 13.012 -3.056 -2.913 101 HH TYR 13 HH TYR 13 13.981 -4.730 -1.624 102 H ALA 14 H ALA 14 13.077 3.554 0.899 103 HA ALA 14 HA ALA 14 11.157 5.508 0.816 104 1HB ALA 14 1HB ALA 14 14.116 5.757 0.333 105 2HB ALA 14 2HB ALA 14 13.036 7.131 0.581 106 3HB ALA 14 3HB ALA 14 13.253 5.937 1.862 107 H VAL 15 H VAL 15 10.379 6.981 -0.639 108 HA VAL 15 HA VAL 15 11.399 7.225 -3.284 109 HB VAL 15 HB VAL 15 10.280 4.968 -3.203 110 1HG1 VAL 15 1HG1 VAL 15 7.788 6.666 -3.096 111 2HG1 VAL 15 2HG1 VAL 15 7.823 4.989 -3.681 112 3HG1 VAL 15 3HG1 VAL 15 8.284 5.346 -2.028 113 1HG2 VAL 15 1HG2 VAL 15 10.392 6.976 -5.205 114 2HG2 VAL 15 2HG2 VAL 15 10.499 5.235 -5.392 115 3HG2 VAL 15 3HG2 VAL 15 8.927 6.026 -5.435 116 H ASP 16 H ASP 16 8.929 7.735 -4.489 117 HA ASP 16 HA ASP 16 7.601 9.826 -3.080 118 1HB ASP 16 1HB ASP 16 8.767 10.512 -5.716 119 2HB ASP 16 2HB ASP 16 8.233 11.585 -4.435 120 H ALA 17 H ALA 17 5.882 10.677 -4.456 121 HA ALA 17 HA ALA 17 5.147 8.936 -6.678 122 1HB ALA 17 1HB ALA 17 4.303 8.467 -4.154 123 2HB ALA 17 2HB ALA 17 2.996 9.487 -4.806 124 3HB ALA 17 3HB ALA 17 3.443 7.978 -5.629 125 H GLN 18 H GLN 18 2.743 9.754 -7.300 126 HA GLN 18 HA GLN 18 2.738 12.684 -7.313 127 1HB GLN 18 1HB GLN 18 2.226 11.111 -9.825 128 2HB GLN 18 2HB GLN 18 2.446 12.847 -9.658 129 1HG GLN 18 1HG GLN 18 4.591 10.844 -9.046 130 2HG GLN 18 2HG GLN 18 4.379 11.599 -10.622 131 1HE2 GLN 18 2HE2 GLN 18 6.377 11.704 -8.245 132 2HE2 GLN 18 1HE2 GLN 18 6.701 13.395 -8.099 133 H ASP 19 H ASP 19 0.750 13.593 -7.200 134 HA ASP 19 HA ASP 19 -1.404 12.277 -6.190 135 1HB ASP 19 1HB ASP 19 -1.685 14.609 -8.056 136 2HB ASP 19 2HB ASP 19 -2.773 14.153 -6.759 137 H GLY 20 H GLY 20 -2.259 10.497 -6.903 138 1HA GLY 20 1HA GLY 20 -4.039 9.762 -8.472 139 2HA GLY 20 2HA GLY 20 -3.005 10.370 -9.754 140 H GLN 21 H GLN 21 -0.931 9.053 -7.528 141 HA GLN 21 HA GLN 21 -1.053 6.438 -8.893 142 1HB GLN 21 1HB GLN 21 1.374 7.848 -7.778 143 2HB GLN 21 2HB GLN 21 1.374 6.286 -8.586 144 1HG GLN 21 1HG GLN 21 1.010 7.213 -10.666 145 2HG GLN 21 2HG GLN 21 0.324 8.689 -9.997 146 1HE2 GLN 21 2HE2 GLN 21 3.098 7.728 -8.344 147 2HE2 GLN 21 1HE2 GLN 21 4.213 8.793 -9.104 148 H SER 22 H SER 22 -0.469 4.581 -7.679 149 HA SER 22 HA SER 22 -1.067 4.943 -4.847 150 1HB SER 22 1HB SER 22 -1.968 2.787 -4.807 151 2HB SER 22 2HB SER 22 -2.390 3.343 -6.426 152 HG SER 22 HG SER 22 -1.487 1.421 -6.808 153 H LEU 23 H LEU 23 -0.093 3.052 -3.480 154 HA LEU 23 HA LEU 23 2.769 3.435 -3.603 155 1HB LEU 23 1HB LEU 23 1.083 1.825 -1.688 156 2HB LEU 23 2HB LEU 23 2.788 2.187 -1.490 157 HG LEU 23 HG LEU 23 1.926 3.818 -0.155 158 1HD1 LEU 23 1HD1 LEU 23 1.824 4.995 -2.922 159 2HD1 LEU 23 2HD1 LEU 23 1.664 5.959 -1.453 160 3HD1 LEU 23 3HD1 LEU 23 3.149 5.060 -1.762 161 1HD2 LEU 23 1HD2 LEU 23 -0.417 3.068 -0.600 162 2HD2 LEU 23 2HD2 LEU 23 -0.237 4.804 -0.341 163 3HD2 LEU 23 3HD2 LEU 23 -0.447 4.173 -1.975 164 H MET 24 H MET 24 0.861 1.503 -5.302 165 HA MET 24 HA MET 24 2.457 -0.931 -5.078 166 1HB MET 24 1HB MET 24 -0.163 -0.723 -5.443 167 2HB MET 24 2HB MET 24 0.312 -0.576 -7.129 168 1HG MET 24 1HG MET 24 1.761 -2.741 -6.318 169 2HG MET 24 2HG MET 24 0.277 -2.913 -5.382 170 1HE MET 24 1HE MET 24 2.024 -2.487 -8.518 171 2HE MET 24 2HE MET 24 1.389 -3.877 -9.399 172 3HE MET 24 3HE MET 24 0.775 -2.260 -9.742 173 H GLU 25 H GLU 25 1.780 1.754 -7.212 174 HA GLU 25 HA GLU 25 3.474 0.722 -9.308 175 1HB GLU 25 1HB GLU 25 2.897 2.706 -10.549 176 2HB GLU 25 2HB GLU 25 1.433 2.060 -9.822 177 1HG GLU 25 1HG GLU 25 1.256 4.337 -9.463 178 2HG GLU 25 2HG GLU 25 1.876 3.732 -7.928 179 H VAL 26 H VAL 26 3.704 3.228 -6.796 180 HA VAL 26 HA VAL 26 6.056 4.404 -7.656 181 HB VAL 26 HB VAL 26 6.148 3.679 -4.806 182 1HG1 VAL 26 1HG1 VAL 26 6.559 6.046 -6.532 183 2HG1 VAL 26 2HG1 VAL 26 6.371 6.244 -4.789 184 3HG1 VAL 26 3HG1 VAL 26 7.647 5.227 -5.428 185 1HG2 VAL 26 1HG2 VAL 26 3.731 3.930 -5.117 186 2HG2 VAL 26 2HG2 VAL 26 4.479 5.141 -4.072 187 3HG2 VAL 26 3HG2 VAL 26 4.032 5.562 -5.731 188 H ALA 27 H ALA 27 5.666 1.663 -5.490 189 HA ALA 27 HA ALA 27 8.008 0.709 -4.949 190 1HB ALA 27 1HB ALA 27 5.513 -0.475 -5.282 191 2HB ALA 27 2HB ALA 27 6.629 -1.493 -6.195 192 3HB ALA 27 3HB ALA 27 6.920 -1.180 -4.481 193 H THR 28 H THR 28 6.601 -0.573 -7.915 194 HA THR 28 HA THR 28 8.878 -1.650 -8.980 195 HB THR 28 HB THR 28 7.651 -2.073 -10.822 196 HG1 THR 28 HG1 THR 28 6.725 -0.524 -12.070 197 1HG2 THR 28 1HG2 THR 28 5.973 -2.206 -8.933 198 2HG2 THR 28 2HG2 THR 28 5.352 -0.665 -9.527 199 3HG2 THR 28 3HG2 THR 28 5.331 -2.087 -10.571 200 H GLN 29 H GLN 29 7.850 1.684 -8.976 201 HA GLN 29 HA GLN 29 9.869 2.549 -10.833 202 1HB GLN 29 1HB GLN 29 8.114 4.101 -8.934 203 2HB GLN 29 2HB GLN 29 9.221 4.845 -10.078 204 1HG GLN 29 1HG GLN 29 7.535 2.960 -11.427 205 2HG GLN 29 2HG GLN 29 6.561 4.103 -10.502 206 1HE2 GLN 29 2HE2 GLN 29 8.856 3.721 -13.089 207 2HE2 GLN 29 1HE2 GLN 29 8.635 5.286 -13.787 208 H ASN 30 H ASN 30 9.590 2.235 -7.388 209 HA ASN 30 HA ASN 30 12.067 3.650 -6.861 210 1HB ASN 30 1HB ASN 30 10.900 2.061 -4.690 211 2HB ASN 30 2HB ASN 30 11.323 3.751 -4.716 212 1HD2 ASN 30 2HD2 ASN 30 8.882 2.333 -3.759 213 2HD2 ASN 30 1HD2 ASN 30 7.589 3.082 -4.564 214 H GLY 31 H GLY 31 11.509 0.723 -8.121 215 1HA GLY 31 1HA GLY 31 13.039 -1.021 -8.438 216 2HA GLY 31 2HA GLY 31 14.031 -0.351 -7.148 217 H VAL 32 H VAL 32 11.151 -0.266 -5.826 218 HA VAL 32 HA VAL 32 11.447 -2.209 -3.924 219 HB VAL 32 HB VAL 32 8.768 -1.357 -4.950 220 1HG1 VAL 32 1HG1 VAL 32 9.820 -2.155 -2.296 221 2HG1 VAL 32 2HG1 VAL 32 8.438 -1.069 -2.411 222 3HG1 VAL 32 3HG1 VAL 32 8.353 -2.672 -3.133 223 1HG2 VAL 32 1HG2 VAL 32 10.806 0.323 -3.566 224 2HG2 VAL 32 2HG2 VAL 32 9.814 0.702 -4.976 225 3HG2 VAL 32 3HG2 VAL 32 9.077 0.631 -3.373 226 HA PRO 33 HA PRO 33 10.371 -6.063 -5.784 227 1HB PRO 33 1HB PRO 33 8.995 -6.895 -3.330 228 2HB PRO 33 2HB PRO 33 10.540 -7.449 -3.985 229 1HG PRO 33 1HG PRO 33 10.438 -5.934 -1.750 230 2HG PRO 33 2HG PRO 33 11.742 -5.750 -2.940 231 1HD PRO 33 1HD PRO 33 9.218 -4.160 -2.648 232 2HD PRO 33 2HD PRO 33 10.882 -3.580 -2.771 233 H GLY 34 H GLY 34 8.087 -3.802 -5.298 234 1HA GLY 34 1HA GLY 34 5.771 -3.703 -5.544 235 2HA GLY 34 2HA GLY 34 6.220 -4.479 -7.053 236 H ILE 35 H ILE 35 6.507 -5.992 -3.901 237 HA ILE 35 HA ILE 35 5.768 -8.088 -3.284 238 HB ILE 35 HB ILE 35 3.215 -6.555 -3.749 239 1HG1 ILE 35 1HG1 ILE 35 3.402 -6.287 -1.224 240 2HG1 ILE 35 2HG1 ILE 35 5.051 -6.883 -1.379 241 1HG2 ILE 35 1HG2 ILE 35 3.731 -9.243 -2.612 242 2HG2 ILE 35 2HG2 ILE 35 2.545 -8.227 -1.795 243 3HG2 ILE 35 3HG2 ILE 35 2.332 -8.635 -3.498 244 1HD1 ILE 35 1HD1 ILE 35 4.435 -4.708 -3.213 245 2HD1 ILE 35 2HD1 ILE 35 4.279 -4.268 -1.512 246 3HD1 ILE 35 3HD1 ILE 35 5.801 -4.922 -2.118 247 H VAL 36 H VAL 36 2.913 -7.574 -5.257 248 HA VAL 36 HA VAL 36 3.737 -9.114 -7.488 249 HB VAL 36 HB VAL 36 1.881 -10.944 -6.767 250 1HG1 VAL 36 1HG1 VAL 36 4.778 -10.811 -6.910 251 2HG1 VAL 36 2HG1 VAL 36 4.213 -12.062 -5.802 252 3HG1 VAL 36 3HG1 VAL 36 3.673 -12.061 -7.481 253 1HG2 VAL 36 1HG2 VAL 36 1.626 -10.034 -4.523 254 2HG2 VAL 36 2HG2 VAL 36 2.335 -11.647 -4.463 255 3HG2 VAL 36 3HG2 VAL 36 3.355 -10.227 -4.235 256 H ALA 37 H ALA 37 2.454 -8.582 -9.126 257 HA ALA 37 HA ALA 37 -0.235 -7.543 -8.517 258 1HB ALA 37 1HB ALA 37 1.906 -6.587 -10.248 259 2HB ALA 37 2HB ALA 37 0.343 -6.676 -11.059 260 3HB ALA 37 3HB ALA 37 0.517 -5.727 -9.582 261 H GLU 38 H GLU 38 -1.732 -9.033 -8.924 262 HA GLU 38 HA GLU 38 -1.322 -10.951 -11.087 263 1HB GLU 38 1HB GLU 38 -2.028 -11.659 -8.766 264 2HB GLU 38 2HB GLU 38 -3.576 -10.890 -9.085 265 1HG GLU 38 1HG GLU 38 -3.367 -13.413 -9.451 266 2HG GLU 38 2HG GLU 38 -4.168 -12.451 -10.691 267 H CYS 39 H CYS 39 -4.144 -9.120 -9.885 268 HA CYS 39 HA CYS 39 -5.621 -9.322 -12.244 269 1HB CYS 39 1HB CYS 39 -7.078 -7.660 -11.324 270 2HB CYS 39 2HB CYS 39 -6.507 -8.663 -9.995 271 H GLY 40 H GLY 40 -3.230 -6.927 -11.250 272 1HA GLY 40 1HA GLY 40 -1.911 -5.691 -12.753 273 2HA GLY 40 2HA GLY 40 -3.065 -6.048 -14.026 274 H GLY 41 H GLY 41 -4.073 -4.762 -10.923 275 1HA GLY 41 1HA GLY 41 -4.670 -2.595 -10.317 276 2HA GLY 41 2HA GLY 41 -4.112 -2.032 -11.884 277 H SER 42 H SER 42 -6.559 -4.453 -11.025 278 HA SER 42 HA SER 42 -8.637 -2.729 -12.147 279 1HB SER 42 1HB SER 42 -9.563 -4.844 -13.292 280 2HB SER 42 2HB SER 42 -8.175 -4.057 -14.043 281 HG SER 42 HG SER 42 -7.867 -6.308 -13.895 282 H CYS 43 H CYS 43 -7.786 -3.749 -9.460 283 HA CYS 43 HA CYS 43 -8.645 -4.767 -7.594 284 1HB CYS 43 1HB CYS 43 -11.310 -4.118 -7.627 285 2HB CYS 43 2HB CYS 43 -10.016 -3.058 -7.081 286 HG CYS 43 HG CYS 43 -11.611 -1.894 -8.871 287 H VAL 44 H VAL 44 -8.284 -6.851 -8.953 288 HA VAL 44 HA VAL 44 -10.801 -8.358 -8.840 289 HB VAL 44 HB VAL 44 -8.786 -8.924 -10.994 290 1HG1 VAL 44 1HG1 VAL 44 -10.980 -10.303 -10.086 291 2HG1 VAL 44 2HG1 VAL 44 -11.617 -9.425 -11.477 292 3HG1 VAL 44 3HG1 VAL 44 -10.227 -10.493 -11.670 293 1HG2 VAL 44 1HG2 VAL 44 -10.944 -6.858 -10.964 294 2HG2 VAL 44 2HG2 VAL 44 -9.316 -6.772 -11.635 295 3HG2 VAL 44 3HG2 VAL 44 -10.563 -7.704 -12.463 296 H CYS 45 H CYS 45 -7.854 -8.016 -7.566 297 HA CYS 45 HA CYS 45 -7.713 -10.847 -6.843 298 1HB CYS 45 1HB CYS 45 -5.525 -11.168 -7.452 299 2HB CYS 45 2HB CYS 45 -6.014 -10.040 -8.709 300 H ALA 46 H ALA 46 -5.628 -10.890 -5.154 301 HA ALA 46 HA ALA 46 -5.860 -8.636 -3.316 302 1HB ALA 46 1HB ALA 46 -7.614 -10.557 -2.892 303 2HB ALA 46 2HB ALA 46 -6.235 -11.330 -2.110 304 3HB ALA 46 3HB ALA 46 -6.795 -9.753 -1.552 305 H THR 47 H THR 47 -3.801 -10.105 -5.008 306 HA THR 47 HA THR 47 -1.960 -11.194 -3.076 307 HB THR 47 HB THR 47 -2.100 -12.066 -5.394 308 HG1 THR 47 HG1 THR 47 -0.188 -12.517 -4.476 309 1HG2 THR 47 1HG2 THR 47 -1.334 -9.289 -6.070 310 2HG2 THR 47 2HG2 THR 47 -0.617 -10.597 -7.012 311 3HG2 THR 47 3HG2 THR 47 -2.371 -10.427 -6.931 312 H CYS 48 H CYS 48 -2.678 -8.110 -4.367 313 HA CYS 48 HA CYS 48 -0.075 -6.958 -3.913 314 1HB CYS 48 1HB CYS 48 -1.142 -4.832 -4.472 315 2HB CYS 48 2HB CYS 48 -1.569 -6.065 -5.654 316 H ARG 49 H ARG 49 -0.614 -8.180 -1.628 317 HA ARG 49 HA ARG 49 -2.043 -6.611 0.266 318 1HB ARG 49 1HB ARG 49 -1.286 -9.147 0.290 319 2HB ARG 49 2HB ARG 49 0.117 -8.484 1.119 320 1HG ARG 49 1HG ARG 49 -1.232 -7.618 2.877 321 2HG ARG 49 2HG ARG 49 -2.716 -7.992 1.998 322 1HD ARG 49 1HD ARG 49 -1.803 -10.432 2.061 323 2HD ARG 49 2HD ARG 49 -0.818 -9.831 3.394 324 HE ARG 49 HE ARG 49 -3.568 -9.157 3.714 325 1HH1 ARG 49 1HH1 ARG 49 -1.262 -11.743 4.065 326 2HH1 ARG 49 2HH1 ARG 49 -2.157 -12.545 5.312 327 1HH2 ARG 49 1HH2 ARG 49 -4.755 -10.205 5.353 328 2HH2 ARG 49 2HH2 ARG 49 -4.144 -11.670 6.044 329 H ILE 50 H ILE 50 -1.322 -4.529 0.376 330 HA ILE 50 HA ILE 50 1.477 -4.138 1.222 331 HB ILE 50 HB ILE 50 0.780 -3.060 -0.967 332 1HG1 ILE 50 1HG1 ILE 50 1.510 -0.807 0.797 333 2HG1 ILE 50 2HG1 ILE 50 2.522 -2.241 0.949 334 1HG2 ILE 50 1HG2 ILE 50 -0.974 -1.539 0.932 335 2HG2 ILE 50 2HG2 ILE 50 -0.432 -0.833 -0.589 336 3HG2 ILE 50 3HG2 ILE 50 -1.399 -2.307 -0.597 337 1HD1 ILE 50 1HD1 ILE 50 2.130 -1.687 -1.812 338 2HD1 ILE 50 2HD1 ILE 50 2.646 -0.213 -0.994 339 3HD1 ILE 50 3HD1 ILE 50 3.623 -1.676 -0.874 340 H GLU 51 H GLU 51 1.698 -2.057 2.597 341 HA GLU 51 HA GLU 51 -0.646 -1.539 4.238 342 1HB GLU 51 1HB GLU 51 1.716 -3.090 5.117 343 2HB GLU 51 2HB GLU 51 1.111 -1.884 6.245 344 1HG GLU 51 1HG GLU 51 -1.167 -2.946 5.938 345 2HG GLU 51 2HG GLU 51 -0.326 -4.268 5.128 346 H ILE 52 H ILE 52 -0.781 0.586 4.398 347 HA ILE 52 HA ILE 52 1.361 2.391 3.909 348 HB ILE 52 HB ILE 52 -1.340 2.795 5.213 349 1HG1 ILE 52 1HG1 ILE 52 -1.091 2.061 2.735 350 2HG1 ILE 52 2HG1 ILE 52 -2.164 3.403 3.127 351 1HG2 ILE 52 1HG2 ILE 52 0.265 4.524 5.891 352 2HG2 ILE 52 2HG2 ILE 52 0.570 4.889 4.192 353 3HG2 ILE 52 3HG2 ILE 52 -1.030 5.169 4.882 354 1HD1 ILE 52 1HD1 ILE 52 -0.392 4.970 2.528 355 2HD1 ILE 52 2HD1 ILE 52 0.640 3.607 2.084 356 3HD1 ILE 52 3HD1 ILE 52 -0.847 3.919 1.184 357 H GLU 53 H GLU 53 2.632 3.611 5.449 358 HA GLU 53 HA GLU 53 3.099 2.253 7.869 359 1HB GLU 53 1HB GLU 53 4.746 3.753 8.216 360 2HB GLU 53 2HB GLU 53 4.321 4.366 6.630 361 1HG GLU 53 1HG GLU 53 4.187 6.317 7.709 362 2HG GLU 53 2HG GLU 53 2.598 5.727 8.156 363 H ASP 54 H ASP 54 2.566 3.041 10.146 364 HA ASP 54 HA ASP 54 -0.264 3.463 10.278 365 1HB ASP 54 1HB ASP 54 1.755 3.315 12.521 366 2HB ASP 54 2HB ASP 54 0.006 3.221 12.705 367 H ALA 55 H ALA 55 1.490 5.735 9.371 368 HA ALA 55 HA ALA 55 0.572 7.770 11.274 369 1HB ALA 55 1HB ALA 55 3.087 7.518 10.688 370 2HB ALA 55 2HB ALA 55 2.633 8.275 9.157 371 3HB ALA 55 3HB ALA 55 2.369 9.127 10.680 372 H TRP 56 H TRP 56 0.519 6.577 8.054 373 HA TRP 56 HA TRP 56 -0.869 8.946 7.093 374 1HB TRP 56 1HB TRP 56 0.394 6.660 5.626 375 2HB TRP 56 2HB TRP 56 -0.317 8.089 4.880 376 HD1 TRP 56 HD1 TRP 56 2.378 7.269 7.477 377 HE1 TRP 56 HE1 TRP 56 4.214 9.036 7.341 378 HE3 TRP 56 HE3 TRP 56 0.313 10.164 3.827 379 HZ2 TRP 56 HZ2 TRP 56 4.738 11.350 5.850 380 HZ3 TRP 56 HZ3 TRP 56 1.600 12.137 3.069 381 HH2 TRP 56 HH2 TRP 56 3.740 12.717 4.049 382 H VAL 57 H VAL 57 -1.667 5.842 8.098 383 HA VAL 57 HA VAL 57 -3.548 5.051 6.242 384 HB VAL 57 HB VAL 57 -3.975 4.884 9.211 385 1HG1 VAL 57 1HG1 VAL 57 -4.926 3.432 6.792 386 2HG1 VAL 57 2HG1 VAL 57 -4.960 2.664 8.382 387 3HG1 VAL 57 3HG1 VAL 57 -5.862 4.160 8.094 388 1HG2 VAL 57 1HG2 VAL 57 -1.863 3.855 7.552 389 2HG2 VAL 57 2HG2 VAL 57 -2.018 3.859 9.307 390 3HG2 VAL 57 3HG2 VAL 57 -2.749 2.560 8.362 391 H GLU 58 H GLU 58 -3.795 7.297 8.924 392 HA GLU 58 HA GLU 58 -6.543 7.928 8.361 393 1HB GLU 58 1HB GLU 58 -4.920 9.808 9.985 394 2HB GLU 58 2HB GLU 58 -6.518 9.145 10.299 395 1HG GLU 58 1HG GLU 58 -4.977 6.929 10.545 396 2HG GLU 58 2HG GLU 58 -3.877 8.182 11.120 397 H ILE 59 H ILE 59 -3.723 8.554 6.864 398 HA ILE 59 HA ILE 59 -4.428 11.264 5.950 399 HB ILE 59 HB ILE 59 -1.925 9.638 5.848 400 1HG1 ILE 59 1HG1 ILE 59 -2.026 12.558 6.301 401 2HG1 ILE 59 2HG1 ILE 59 -2.694 11.521 7.555 402 1HG2 ILE 59 1HG2 ILE 59 -2.841 11.456 3.759 403 2HG2 ILE 59 2HG2 ILE 59 -1.252 11.858 4.408 404 3HG2 ILE 59 3HG2 ILE 59 -1.550 10.255 3.734 405 1HD1 ILE 59 1HD1 ILE 59 -0.131 10.594 6.630 406 2HD1 ILE 59 2HD1 ILE 59 -0.062 12.249 7.236 407 3HD1 ILE 59 3HD1 ILE 59 -0.687 10.960 8.263 408 H VAL 60 H VAL 60 -3.836 7.985 4.942 409 HA VAL 60 HA VAL 60 -4.396 8.564 2.158 410 HB VAL 60 HB VAL 60 -3.857 5.921 3.504 411 1HG1 VAL 60 1HG1 VAL 60 -4.908 6.114 1.141 412 2HG1 VAL 60 2HG1 VAL 60 -3.276 6.574 0.650 413 3HG1 VAL 60 3HG1 VAL 60 -3.561 5.008 1.410 414 1HG2 VAL 60 1HG2 VAL 60 -2.122 8.106 3.324 415 2HG2 VAL 60 2HG2 VAL 60 -1.688 6.422 3.632 416 3HG2 VAL 60 3HG2 VAL 60 -1.658 7.048 1.987 417 H GLY 61 H GLY 61 -5.837 6.910 4.895 418 1HA GLY 61 1HA GLY 61 -8.103 6.569 5.309 419 2HA GLY 61 2HA GLY 61 -8.459 7.249 3.731 420 H GLU 62 H GLU 62 -7.524 4.319 5.443 421 HA GLU 62 HA GLU 62 -7.325 2.499 3.440 422 1HB GLU 62 1HB GLU 62 -8.166 2.420 6.260 423 2HB GLU 62 2HB GLU 62 -8.770 1.088 5.284 424 1HG GLU 62 1HG GLU 62 -6.425 0.661 4.553 425 2HG GLU 62 2HG GLU 62 -5.905 1.878 5.717 426 H ALA 63 H ALA 63 -8.731 1.154 2.407 427 HA ALA 63 HA ALA 63 -10.919 2.249 1.173 428 1HB ALA 63 1HB ALA 63 -10.001 -0.561 1.538 429 2HB ALA 63 2HB ALA 63 -11.566 -0.251 0.785 430 3HB ALA 63 3HB ALA 63 -10.095 0.416 0.072 431 H ASN 64 H ASN 64 -13.188 1.606 1.225 432 HA ASN 64 HA ASN 64 -14.285 1.874 3.820 433 1HB ASN 64 1HB ASN 64 -16.283 2.298 2.693 434 2HB ASN 64 2HB ASN 64 -15.090 2.775 1.502 435 1HD2 ASN 64 2HD2 ASN 64 -15.158 1.890 -0.440 436 2HD2 ASN 64 1HD2 ASN 64 -16.129 0.532 -0.888 437 HA PRO 65 HA PRO 65 -15.690 -2.137 5.001 438 1HB PRO 65 1HB PRO 65 -18.409 -1.792 3.853 439 2HB PRO 65 2HB PRO 65 -17.925 -2.190 5.505 440 1HG PRO 65 1HG PRO 65 -18.816 0.252 4.882 441 2HG PRO 65 2HG PRO 65 -17.510 0.021 6.059 442 1HD PRO 65 1HD PRO 65 -17.358 0.935 3.219 443 2HD PRO 65 2HD PRO 65 -16.396 1.449 4.613 444 H ASP 66 H ASP 66 -16.027 -1.250 1.712 445 HA ASP 66 HA ASP 66 -16.813 -3.786 0.675 446 1HB ASP 66 1HB ASP 66 -15.547 -1.356 -0.599 447 2HB ASP 66 2HB ASP 66 -15.978 -2.800 -1.510 448 H GLU 67 H GLU 67 -13.725 -2.138 1.167 449 HA GLU 67 HA GLU 67 -12.172 -4.236 -0.025 450 1HB GLU 67 1HB GLU 67 -11.338 -1.941 0.035 451 2HB GLU 67 2HB GLU 67 -11.357 -1.960 1.792 452 1HG GLU 67 1HG GLU 67 -9.770 -4.054 0.433 453 2HG GLU 67 2HG GLU 67 -9.161 -2.401 0.371 454 H ASN 68 H ASN 68 -12.566 -3.102 3.333 455 HA ASN 68 HA ASN 68 -11.145 -5.074 4.629 456 1HB ASN 68 1HB ASN 68 -12.030 -3.157 5.827 457 2HB ASN 68 2HB ASN 68 -13.682 -3.688 5.525 458 1HD2 ASN 68 2HD2 ASN 68 -11.113 -5.900 6.309 459 2HD2 ASN 68 1HD2 ASN 68 -11.680 -6.312 7.889 460 H ASP 69 H ASP 69 -14.390 -5.180 3.307 461 HA ASP 69 HA ASP 69 -15.108 -7.688 4.455 462 1HB ASP 69 1HB ASP 69 -16.792 -6.063 3.655 463 2HB ASP 69 2HB ASP 69 -16.229 -6.303 2.004 464 H LEU 70 H LEU 70 -13.685 -6.660 1.398 465 HA LEU 70 HA LEU 70 -13.750 -9.119 0.055 466 1HB LEU 70 1HB LEU 70 -12.782 -6.558 -0.455 467 2HB LEU 70 2HB LEU 70 -11.355 -7.575 -0.503 468 HG LEU 70 HG LEU 70 -12.067 -7.539 -2.717 469 1HD1 LEU 70 1HD1 LEU 70 -11.890 -9.872 -1.546 470 2HD1 LEU 70 2HD1 LEU 70 -13.616 -9.951 -1.903 471 3HD1 LEU 70 3HD1 LEU 70 -12.452 -9.744 -3.212 472 1HD2 LEU 70 1HD2 LEU 70 -14.554 -6.879 -1.616 473 2HD2 LEU 70 2HD2 LEU 70 -14.113 -6.929 -3.323 474 3HD2 LEU 70 3HD2 LEU 70 -14.818 -8.350 -2.553 475 H LEU 71 H LEU 71 -11.306 -7.690 2.182 476 HA LEU 71 HA LEU 71 -9.566 -9.972 1.997 477 1HB LEU 71 1HB LEU 71 -9.566 -7.382 3.460 478 2HB LEU 71 2HB LEU 71 -8.589 -8.682 4.115 479 HG LEU 71 HG LEU 71 -7.259 -8.797 2.129 480 1HD1 LEU 71 1HD1 LEU 71 -9.394 -8.170 0.708 481 2HD1 LEU 71 2HD1 LEU 71 -8.689 -6.556 0.803 482 3HD1 LEU 71 3HD1 LEU 71 -7.764 -7.884 0.103 483 1HD2 LEU 71 1HD2 LEU 71 -7.579 -6.359 3.634 484 2HD2 LEU 71 2HD2 LEU 71 -6.106 -7.131 3.043 485 3HD2 LEU 71 3HD2 LEU 71 -7.000 -6.023 2.002 486 H GLN 72 H GLN 72 -12.003 -8.772 4.222 487 HA GLN 72 HA GLN 72 -11.481 -10.480 6.387 488 1HB GLN 72 1HB GLN 72 -13.844 -8.917 5.448 489 2HB GLN 72 2HB GLN 72 -14.091 -10.127 6.702 490 1HG GLN 72 1HG GLN 72 -11.802 -8.488 7.301 491 2HG GLN 72 2HG GLN 72 -13.234 -7.498 7.026 492 1HE2 GLN 72 2HE2 GLN 72 -15.263 -8.770 8.050 493 2HE2 GLN 72 1HE2 GLN 72 -15.043 -9.133 9.724 494 H SER 73 H SER 73 -12.917 -11.055 3.314 495 HA SER 73 HA SER 73 -14.463 -13.338 3.962 496 1HB SER 73 1HB SER 73 -15.112 -12.705 1.886 497 2HB SER 73 2HB SER 73 -13.546 -11.984 1.514 498 HG SER 73 HG SER 73 -12.762 -14.018 1.003 499 H THR 74 H THR 74 -11.102 -12.859 3.064 500 HA THR 74 HA THR 74 -10.385 -15.500 2.525 501 HB THR 74 HB THR 74 -8.105 -14.812 2.915 502 HG1 THR 74 HG1 THR 74 -8.842 -12.320 3.911 503 1HG2 THR 74 1HG2 THR 74 -9.661 -12.477 1.830 504 2HG2 THR 74 2HG2 THR 74 -7.931 -12.755 1.628 505 3HG2 THR 74 3HG2 THR 74 -9.093 -13.868 0.908 506 H GLY 75 H GLY 75 -10.102 -13.711 5.603 507 1HA GLY 75 1HA GLY 75 -10.906 -14.895 7.615 508 2HA GLY 75 2HA GLY 75 -10.119 -16.330 6.974 509 H GLU 76 H GLU 76 -8.192 -13.726 6.281 510 HA GLU 76 HA GLU 76 -6.408 -14.390 8.496 511 1HB GLU 76 1HB GLU 76 -5.970 -12.862 5.928 512 2HB GLU 76 2HB GLU 76 -4.739 -13.049 7.169 513 1HG GLU 76 1HG GLU 76 -4.200 -14.728 5.700 514 2HG GLU 76 2HG GLU 76 -5.190 -15.582 6.883 515 HA PRO 77 HA PRO 77 -7.096 -10.744 10.847 516 1HB PRO 77 1HB PRO 77 -4.497 -10.090 11.521 517 2HB PRO 77 2HB PRO 77 -5.476 -11.307 12.347 518 1HG PRO 77 1HG PRO 77 -3.383 -11.662 10.243 519 2HG PRO 77 2HG PRO 77 -3.707 -12.644 11.684 520 1HD PRO 77 1HD PRO 77 -4.487 -13.431 9.237 521 2HD PRO 77 2HD PRO 77 -5.470 -13.764 10.678 522 H MET 78 H MET 78 -5.834 -8.456 11.145 523 HA MET 78 HA MET 78 -4.828 -7.396 8.660 524 1HB MET 78 1HB MET 78 -7.603 -6.793 9.626 525 2HB MET 78 2HB MET 78 -6.697 -5.580 8.732 526 1HG MET 78 1HG MET 78 -6.431 -7.923 7.250 527 2HG MET 78 2HG MET 78 -8.114 -7.893 7.776 528 1HE MET 78 1HE MET 78 -8.850 -5.291 8.181 529 2HE MET 78 2HE MET 78 -7.875 -4.014 7.453 530 3HE MET 78 3HE MET 78 -9.375 -4.529 6.680 531 H THR 79 H THR 79 -4.376 -5.018 8.859 532 HA THR 79 HA THR 79 -3.993 -4.181 11.647 533 HB THR 79 HB THR 79 -1.749 -3.173 10.556 534 HG1 THR 79 HG1 THR 79 -2.032 -5.693 9.298 535 1HG2 THR 79 1HG2 THR 79 -2.183 -5.843 11.829 536 2HG2 THR 79 2HG2 THR 79 -0.576 -5.309 11.335 537 3HG2 THR 79 3HG2 THR 79 -1.489 -4.377 12.522 538 H ALA 80 H ALA 80 -2.858 -1.790 11.380 539 HA ALA 80 HA ALA 80 -4.971 -0.213 10.235 540 1HB ALA 80 1HB ALA 80 -2.495 0.436 11.797 541 2HB ALA 80 2HB ALA 80 -3.486 1.702 11.072 542 3HB ALA 80 3HB ALA 80 -4.184 0.613 12.271 543 H GLY 81 H GLY 81 -5.030 0.644 8.265 544 1HA GLY 81 1HA GLY 81 -4.204 1.774 6.390 545 2HA GLY 81 2HA GLY 81 -2.571 1.425 6.922 546 H THR 82 H THR 82 -4.316 -1.395 7.092 547 HA THR 82 HA THR 82 -2.958 -2.518 4.843 548 HB THR 82 HB THR 82 -5.164 -4.052 6.068 549 HG1 THR 82 HG1 THR 82 -2.882 -3.396 7.609 550 1HG2 THR 82 1HG2 THR 82 -2.465 -4.531 5.067 551 2HG2 THR 82 2HG2 THR 82 -2.873 -5.425 6.532 552 3HG2 THR 82 3HG2 THR 82 -3.877 -5.586 5.092 553 H ARG 83 H ARG 83 -3.631 -1.880 2.870 554 HA ARG 83 HA ARG 83 -6.285 -2.665 2.024 555 1HB ARG 83 1HB ARG 83 -6.632 -0.360 2.841 556 2HB ARG 83 2HB ARG 83 -5.384 0.209 1.742 557 1HG ARG 83 1HG ARG 83 -7.247 -1.250 0.203 558 2HG ARG 83 2HG ARG 83 -8.161 -0.172 1.254 559 1HD ARG 83 1HD ARG 83 -5.824 1.074 0.008 560 2HD ARG 83 2HD ARG 83 -7.040 0.518 -1.140 561 HE ARG 83 HE ARG 83 -7.898 2.172 1.116 562 1HH1 ARG 83 1HH1 ARG 83 -7.293 1.883 -2.313 563 2HH1 ARG 83 2HH1 ARG 83 -8.215 3.290 -2.716 564 1HH2 ARG 83 1HH2 ARG 83 -9.100 4.020 0.584 565 2HH2 ARG 83 2HH2 ARG 83 -9.238 4.505 -1.073 566 H LEU 84 H LEU 84 -6.488 -2.856 -0.251 567 HA LEU 84 HA LEU 84 -4.402 -3.862 -1.653 568 1HB LEU 84 1HB LEU 84 -6.582 -2.181 -2.892 569 2HB LEU 84 2HB LEU 84 -5.635 -3.420 -3.693 570 HG LEU 84 HG LEU 84 -7.808 -3.764 -1.647 571 1HD1 LEU 84 1HD1 LEU 84 -8.209 -3.651 -4.169 572 2HD1 LEU 84 2HD1 LEU 84 -7.409 -5.222 -4.238 573 3HD1 LEU 84 3HD1 LEU 84 -8.886 -5.024 -3.294 574 1HD2 LEU 84 1HD2 LEU 84 -5.548 -5.601 -2.308 575 2HD2 LEU 84 2HD2 LEU 84 -6.295 -5.254 -0.748 576 3HD2 LEU 84 3HD2 LEU 84 -7.136 -6.265 -1.925 577 H SER 85 H SER 85 -2.537 -3.117 -2.354 578 HA SER 85 HA SER 85 -1.758 -0.419 -2.109 579 1HB SER 85 1HB SER 85 -0.024 -1.779 -3.922 580 2HB SER 85 2HB SER 85 0.254 -1.393 -2.226 581 HG SER 85 HG SER 85 0.083 -3.751 -3.164 582 H CYS 86 H CYS 86 -3.311 -2.136 -4.657 583 HA CYS 86 HA CYS 86 -2.615 -0.074 -6.616 584 1HB CYS 86 1HB CYS 86 -3.287 -1.558 -8.299 585 2HB CYS 86 2HB CYS 86 -2.518 -2.599 -7.104 586 H GLN 87 H GLN 87 -4.432 0.473 -4.380 587 HA GLN 87 HA GLN 87 -6.773 1.249 -5.977 588 1HB GLN 87 1HB GLN 87 -6.724 -0.099 -3.301 589 2HB GLN 87 2HB GLN 87 -8.066 0.949 -3.740 590 1HG GLN 87 1HG GLN 87 -7.357 -1.039 -5.770 591 2HG GLN 87 2HG GLN 87 -7.939 -1.710 -4.247 592 1HE2 GLN 87 2HE2 GLN 87 -8.712 0.676 -6.736 593 2HE2 GLN 87 1HE2 GLN 87 -10.427 0.525 -6.600 594 H VAL 88 H VAL 88 -4.406 2.118 -3.605 595 HA VAL 88 HA VAL 88 -5.809 4.588 -2.947 596 HB VAL 88 HB VAL 88 -3.439 3.149 -1.801 597 1HG1 VAL 88 1HG1 VAL 88 -2.891 5.582 -2.051 598 2HG1 VAL 88 2HG1 VAL 88 -4.237 5.923 -0.963 599 3HG1 VAL 88 3HG1 VAL 88 -2.865 4.967 -0.402 600 1HG2 VAL 88 1HG2 VAL 88 -5.845 2.700 -1.134 601 2HG2 VAL 88 2HG2 VAL 88 -4.702 3.031 0.169 602 3HG2 VAL 88 3HG2 VAL 88 -5.816 4.289 -0.368 603 H PHE 89 H PHE 89 -5.447 6.310 -4.233 604 HA PHE 89 HA PHE 89 -2.826 6.502 -5.545 605 1HB PHE 89 1HB PHE 89 -5.390 7.823 -6.400 606 2HB PHE 89 2HB PHE 89 -3.879 7.768 -7.301 607 HD1 PHE 89 HD1 PHE 89 -3.540 4.801 -6.164 608 HD2 PHE 89 HD2 PHE 89 -6.448 6.864 -8.479 609 HE1 PHE 89 HE1 PHE 89 -4.242 2.657 -7.172 610 HE2 PHE 89 HE2 PHE 89 -7.157 4.737 -9.509 611 HZ PHE 89 HZ PHE 89 -6.053 2.626 -8.856 612 H ILE 90 H ILE 90 -1.561 8.132 -5.276 613 HA ILE 90 HA ILE 90 -1.554 9.830 -3.164 614 HB ILE 90 HB ILE 90 -0.275 10.024 -5.878 615 1HG1 ILE 90 1HG1 ILE 90 0.116 8.242 -3.880 616 2HG1 ILE 90 2HG1 ILE 90 1.364 8.722 -5.026 617 1HG2 ILE 90 1HG2 ILE 90 0.176 11.743 -3.463 618 2HG2 ILE 90 2HG2 ILE 90 1.396 11.493 -4.703 619 3HG2 ILE 90 3HG2 ILE 90 -0.138 12.250 -5.116 620 1HD1 ILE 90 1HD1 ILE 90 2.089 10.474 -3.413 621 2HD1 ILE 90 2HD1 ILE 90 0.915 9.814 -2.270 622 3HD1 ILE 90 3HD1 ILE 90 2.260 8.816 -2.815 623 H ASP 91 H ASP 91 -1.567 12.172 -3.118 624 HA ASP 91 HA ASP 91 -2.782 13.897 -4.905 625 1HB ASP 91 1HB ASP 91 -5.023 13.856 -4.396 626 2HB ASP 91 2HB ASP 91 -4.689 12.233 -3.812 627 HA PRO 92 HA PRO 92 -0.954 16.578 -1.863 628 1HB PRO 92 1HB PRO 92 -3.312 18.359 -1.767 629 2HB PRO 92 2HB PRO 92 -1.665 18.707 -2.304 630 1HG PRO 92 1HG PRO 92 -3.674 18.504 -4.064 631 2HG PRO 92 2HG PRO 92 -2.051 17.898 -4.447 632 1HD PRO 92 1HD PRO 92 -4.473 16.375 -3.550 633 2HD PRO 92 2HD PRO 92 -3.306 15.967 -4.828 634 H SER 93 H SER 93 -2.313 14.406 -0.831 635 HA SER 93 HA SER 93 -3.102 15.330 1.821 636 1HB SER 93 1HB SER 93 -5.136 14.310 1.738 637 2HB SER 93 2HB SER 93 -4.924 14.416 -0.016 638 HG SER 93 HG SER 93 -4.892 12.332 -0.037 639 H MET 94 H MET 94 -1.756 12.903 -0.291 640 HA MET 94 HA MET 94 -0.666 11.401 1.973 641 1HB MET 94 1HB MET 94 -1.581 10.510 -0.769 642 2HB MET 94 2HB MET 94 -0.604 9.500 0.278 643 1HG MET 94 1HG MET 94 -2.324 9.042 1.666 644 2HG MET 94 2HG MET 94 -3.064 10.622 1.448 645 1HE MET 94 1HE MET 94 -1.872 8.805 -1.601 646 2HE MET 94 2HE MET 94 -2.313 7.299 -0.795 647 3HE MET 94 3HE MET 94 -3.243 7.862 -2.184 648 H ASP 95 H ASP 95 0.559 13.658 1.050 649 HA ASP 95 HA ASP 95 2.518 12.919 -0.883 650 1HB ASP 95 1HB ASP 95 1.909 15.494 0.564 651 2HB ASP 95 2HB ASP 95 3.242 15.313 -0.552 652 H GLY 96 H GLY 96 4.486 12.208 -0.381 653 1HA GLY 96 1HA GLY 96 6.373 11.795 0.918 654 2HA GLY 96 2HA GLY 96 5.751 12.949 2.091 655 H LEU 97 H LEU 97 3.743 10.367 0.897 656 HA LEU 97 HA LEU 97 3.380 9.495 3.558 657 1HB LEU 97 1HB LEU 97 1.599 8.188 2.894 658 2HB LEU 97 2HB LEU 97 1.552 9.571 1.834 659 HG LEU 97 HG LEU 97 1.013 7.274 0.869 660 1HD1 LEU 97 1HD1 LEU 97 2.824 9.300 -0.329 661 2HD1 LEU 97 2HD1 LEU 97 2.407 7.845 -1.234 662 3HD1 LEU 97 3HD1 LEU 97 1.135 8.928 -0.678 663 1HD2 LEU 97 1HD2 LEU 97 3.073 6.203 1.902 664 2HD2 LEU 97 2HD2 LEU 97 2.718 5.817 0.221 665 3HD2 LEU 97 3HD2 LEU 97 3.985 6.976 0.607 666 H ILE 98 H ILE 98 3.410 7.277 4.241 667 HA ILE 98 HA ILE 98 5.866 6.018 3.283 668 HB ILE 98 HB ILE 98 4.756 6.047 6.062 669 1HG1 ILE 98 1HG1 ILE 98 6.783 7.355 6.589 670 2HG1 ILE 98 2HG1 ILE 98 7.216 7.340 4.878 671 1HG2 ILE 98 1HG2 ILE 98 5.949 3.933 5.319 672 2HG2 ILE 98 2HG2 ILE 98 7.408 4.921 5.239 673 3HG2 ILE 98 3HG2 ILE 98 6.555 4.728 6.772 674 1HD1 ILE 98 1HD1 ILE 98 4.523 8.256 5.310 675 2HD1 ILE 98 2HD1 ILE 98 5.698 9.244 6.172 676 3HD1 ILE 98 3HD1 ILE 98 5.836 9.021 4.428 677 H VAL 99 H VAL 99 5.829 3.964 2.672 678 HA VAL 99 HA VAL 99 3.394 2.468 3.250 679 HB VAL 99 HB VAL 99 4.909 1.611 0.927 680 1HG1 VAL 99 1HG1 VAL 99 2.234 1.655 2.041 681 2HG1 VAL 99 2HG1 VAL 99 2.272 1.958 0.303 682 3HG1 VAL 99 3HG1 VAL 99 2.998 0.489 0.950 683 1HG2 VAL 99 1HG2 VAL 99 3.403 4.227 0.934 684 2HG2 VAL 99 2HG2 VAL 99 5.120 4.007 0.601 685 3HG2 VAL 99 3HG2 VAL 99 3.917 3.365 -0.516 686 H ARG 100 H ARG 100 3.537 0.227 3.637 687 HA ARG 100 HA ARG 100 6.233 -0.858 3.935 688 1HB ARG 100 1HB ARG 100 4.431 -1.574 6.144 689 2HB ARG 100 2HB ARG 100 6.148 -1.196 6.166 690 1HG ARG 100 1HG ARG 100 5.538 1.214 5.924 691 2HG ARG 100 2HG ARG 100 3.851 0.744 6.137 692 1HD ARG 100 1HD ARG 100 5.757 1.314 8.124 693 2HD ARG 100 2HD ARG 100 4.104 0.747 8.342 694 HE ARG 100 HE ARG 100 5.264 -1.564 7.996 695 1HH1 ARG 100 1HH1 ARG 100 6.486 1.173 9.788 696 2HH1 ARG 100 2HH1 ARG 100 7.438 0.200 10.855 697 1HH2 ARG 100 1HH2 ARG 100 6.511 -2.836 9.400 698 2HH2 ARG 100 2HH2 ARG 100 7.453 -2.075 10.638 699 H VAL 101 H VAL 101 6.363 -3.128 3.985 700 HA VAL 101 HA VAL 101 4.041 -4.439 2.748 701 HB VAL 101 HB VAL 101 6.965 -5.209 2.722 702 1HG1 VAL 101 1HG1 VAL 101 4.913 -6.968 2.580 703 2HG1 VAL 101 2HG1 VAL 101 5.104 -6.542 0.879 704 3HG1 VAL 101 3HG1 VAL 101 6.471 -7.191 1.784 705 1HG2 VAL 101 1HG2 VAL 101 5.311 -3.563 0.989 706 2HG2 VAL 101 2HG2 VAL 101 7.066 -3.726 1.062 707 3HG2 VAL 101 3HG2 VAL 101 6.113 -4.874 0.125 708 HA PRO 102 HA PRO 102 3.182 -6.589 6.555 709 1HB PRO 102 1HB PRO 102 2.317 -8.649 4.578 710 2HB PRO 102 2HB PRO 102 1.477 -8.037 6.009 711 1HG PRO 102 1HG PRO 102 0.764 -7.218 3.597 712 2HG PRO 102 2HG PRO 102 0.828 -6.083 4.956 713 1HD PRO 102 1HD PRO 102 2.707 -6.397 2.661 714 2HD PRO 102 2HD PRO 102 2.235 -4.930 3.542 715 H LEU 103 H LEU 103 3.184 -9.164 6.949 716 HA LEU 103 HA LEU 103 6.004 -9.927 6.613 717 1HB LEU 103 1HB LEU 103 3.978 -11.005 8.572 718 2HB LEU 103 2HB LEU 103 5.691 -11.375 8.541 719 HG LEU 103 HG LEU 103 4.537 -8.642 9.094 720 1HD1 LEU 103 1HD1 LEU 103 4.157 -10.537 10.802 721 2HD1 LEU 103 2HD1 LEU 103 5.887 -10.395 11.108 722 3HD1 LEU 103 3HD1 LEU 103 4.829 -9.007 11.364 723 1HD2 LEU 103 1HD2 LEU 103 7.024 -9.247 8.164 724 2HD2 LEU 103 2HD2 LEU 103 6.626 -7.834 9.141 725 3HD2 LEU 103 3HD2 LEU 103 7.273 -9.282 9.910 726 HA PRO 104 HA PRO 104 5.053 -13.250 3.879 727 1HB PRO 104 1HB PRO 104 6.949 -15.056 4.692 728 2HB PRO 104 2HB PRO 104 7.293 -13.668 3.656 729 1HG PRO 104 1HG PRO 104 7.660 -13.961 6.613 730 2HG PRO 104 2HG PRO 104 8.754 -13.241 5.416 731 1HD PRO 104 1HD PRO 104 7.219 -11.710 6.984 732 2HD PRO 104 2HD PRO 104 7.519 -11.276 5.288 733 H ALA 105 H ALA 105 5.123 -15.831 4.130 734 HA ALA 105 HA ALA 105 2.831 -16.518 5.569 735 1HB ALA 105 1HB ALA 105 3.864 -17.732 3.592 736 2HB ALA 105 2HB ALA 105 4.938 -18.503 4.760 737 3HB ALA 105 3HB ALA 105 3.195 -18.738 4.875 Start of MODEL 4 1 2H PRO 1 2H PRO 1 3.714 14.868 -5.422 2 1H PRO 1 1H PRO 1 4.447 13.405 -5.618 3 HA PRO 1 HA PRO 1 4.364 15.011 -3.455 4 1HB PRO 1 1HB PRO 1 3.464 12.307 -2.638 5 2HB PRO 1 2HB PRO 1 3.180 13.859 -1.881 6 1HG PRO 1 1HG PRO 1 1.240 12.803 -3.186 7 2HG PRO 1 2HG PRO 1 1.618 14.510 -3.490 8 1HD PRO 1 1HD PRO 1 2.517 12.102 -5.073 9 2HD PRO 1 2HD PRO 1 1.662 13.527 -5.665 10 H ARG 2 H ARG 2 5.218 13.334 -1.587 11 HA ARG 2 HA ARG 2 7.623 12.039 -2.750 12 1HB ARG 2 1HB ARG 2 8.328 13.959 -1.480 13 2HB ARG 2 2HB ARG 2 7.233 13.569 -0.165 14 1HG ARG 2 1HG ARG 2 9.064 12.751 0.814 15 2HG ARG 2 2HG ARG 2 8.794 11.351 -0.218 16 1HD ARG 2 1HD ARG 2 10.589 11.787 -1.491 17 2HD ARG 2 2HD ARG 2 10.275 13.522 -1.502 18 HE ARG 2 HE ARG 2 12.012 12.084 0.281 19 1HH1 ARG 2 1HH1 ARG 2 10.097 14.958 -0.159 20 2HH1 ARG 2 2HH1 ARG 2 10.994 15.890 0.991 21 1HH2 ARG 2 1HH2 ARG 2 13.204 13.304 1.798 22 2HH2 ARG 2 2HH2 ARG 2 12.761 14.950 2.104 23 H VAL 3 H VAL 3 8.326 10.012 -1.441 24 HA VAL 3 HA VAL 3 6.305 9.082 0.373 25 HB VAL 3 HB VAL 3 6.284 8.344 -2.451 26 1HG1 VAL 3 1HG1 VAL 3 7.122 6.260 -1.075 27 2HG1 VAL 3 2HG1 VAL 3 5.411 6.170 -0.677 28 3HG1 VAL 3 3HG1 VAL 3 5.925 6.152 -2.369 29 1HG2 VAL 3 1HG2 VAL 3 4.479 8.617 -0.162 30 2HG2 VAL 3 2HG2 VAL 3 4.332 9.225 -1.819 31 3HG2 VAL 3 3HG2 VAL 3 4.009 7.524 -1.470 32 H VAL 4 H VAL 4 6.695 6.906 1.155 33 HA VAL 4 HA VAL 4 9.381 5.932 0.774 34 HB VAL 4 HB VAL 4 8.539 7.157 3.366 35 1HG1 VAL 4 1HG1 VAL 4 10.002 4.650 3.006 36 2HG1 VAL 4 2HG1 VAL 4 10.882 5.850 3.956 37 3HG1 VAL 4 3HG1 VAL 4 9.272 5.333 4.462 38 1HG2 VAL 4 1HG2 VAL 4 10.781 7.353 1.432 39 2HG2 VAL 4 2HG2 VAL 4 9.886 8.633 2.253 40 3HG2 VAL 4 3HG2 VAL 4 11.107 7.707 3.130 41 H PHE 5 H PHE 5 9.085 3.974 0.350 42 HA PHE 5 HA PHE 5 6.920 2.388 1.517 43 1HB PHE 5 1HB PHE 5 8.993 1.955 -0.611 44 2HB PHE 5 2HB PHE 5 8.007 0.635 -0.020 45 HD1 PHE 5 HD1 PHE 5 6.642 4.079 -0.530 46 HD2 PHE 5 HD2 PHE 5 7.065 0.137 -2.095 47 HE1 PHE 5 HE1 PHE 5 4.996 4.575 -2.259 48 HE2 PHE 5 HE2 PHE 5 5.413 0.616 -3.798 49 HZ PHE 5 HZ PHE 5 4.341 2.831 -3.884 50 H ILE 6 H ILE 6 7.684 0.066 2.054 51 HA ILE 6 HA ILE 6 10.293 -0.176 3.225 52 HB ILE 6 HB ILE 6 7.846 -0.602 4.908 53 1HG1 ILE 6 1HG1 ILE 6 8.224 1.818 4.345 54 2HG1 ILE 6 2HG1 ILE 6 8.368 1.464 6.063 55 1HG2 ILE 6 1HG2 ILE 6 10.781 -0.624 5.464 56 2HG2 ILE 6 2HG2 ILE 6 9.536 -0.705 6.709 57 3HG2 ILE 6 3HG2 ILE 6 9.665 -1.985 5.502 58 1HD1 ILE 6 1HD1 ILE 6 10.756 1.498 4.305 59 2HD1 ILE 6 2HD1 ILE 6 10.073 2.999 4.920 60 3HD1 ILE 6 3HD1 ILE 6 10.651 1.763 6.042 61 H ASP 7 H ASP 7 10.680 -2.435 3.943 62 HA ASP 7 HA ASP 7 8.794 -4.483 3.432 63 1HB ASP 7 1HB ASP 7 9.591 -3.515 1.115 64 2HB ASP 7 2HB ASP 7 10.977 -4.564 1.405 65 H GLU 8 H GLU 8 10.283 -6.624 2.894 66 HA GLU 8 HA GLU 8 12.148 -6.688 5.146 67 1HB GLU 8 1HB GLU 8 9.972 -8.251 4.595 68 2HB GLU 8 2HB GLU 8 11.288 -9.233 3.977 69 1HG GLU 8 1HG GLU 8 12.134 -8.291 6.467 70 2HG GLU 8 2HG GLU 8 10.456 -8.787 6.673 71 H GLN 9 H GLN 9 12.253 -6.411 1.882 72 HA GLN 9 HA GLN 9 14.471 -8.245 1.439 73 1HB GLN 9 1HB GLN 9 12.824 -6.459 -0.319 74 2HB GLN 9 2HB GLN 9 14.377 -7.056 -0.888 75 1HG GLN 9 1HG GLN 9 12.153 -8.825 0.097 76 2HG GLN 9 2HG GLN 9 12.419 -8.412 -1.597 77 1HE2 GLN 9 2HE2 GLN 9 14.757 -8.808 -2.312 78 2HE2 GLN 9 1HE2 GLN 9 15.442 -10.320 -1.834 79 H SER 10 H SER 10 13.834 -4.788 1.624 80 HA SER 10 HA SER 10 16.734 -4.332 1.858 81 1HB SER 10 1HB SER 10 15.499 -3.537 -0.334 82 2HB SER 10 2HB SER 10 14.976 -2.206 0.697 83 HG SER 10 HG SER 10 16.880 -1.565 -0.193 84 H GLY 11 H GLY 11 13.818 -4.221 3.375 85 1HA GLY 11 1HA GLY 11 13.104 -3.301 5.338 86 2HA GLY 11 2HA GLY 11 14.774 -2.862 5.631 87 H GLU 12 H GLU 12 13.399 -1.667 2.757 88 HA GLU 12 HA GLU 12 11.995 0.556 3.464 89 1HB GLU 12 1HB GLU 12 13.662 1.455 4.838 90 2HB GLU 12 2HB GLU 12 14.947 1.016 3.720 91 1HG GLU 12 1HG GLU 12 14.218 2.709 2.159 92 2HG GLU 12 2HG GLU 12 12.844 3.103 3.189 93 H TYR 13 H TYR 13 11.471 1.835 1.795 94 HA TYR 13 HA TYR 13 12.954 1.625 -0.689 95 1HB TYR 13 1HB TYR 13 10.144 0.647 -0.280 96 2HB TYR 13 2HB TYR 13 10.772 1.061 -1.874 97 HD1 TYR 13 HD1 TYR 13 11.313 -1.123 1.067 98 HD2 TYR 13 HD2 TYR 13 12.116 -0.440 -3.044 99 HE1 TYR 13 HE1 TYR 13 12.317 -3.372 0.901 100 HE2 TYR 13 HE2 TYR 13 13.094 -2.664 -3.250 101 HH TYR 13 HH TYR 13 13.784 -4.634 -0.462 102 H ALA 14 H ALA 14 13.103 3.847 0.522 103 HA ALA 14 HA ALA 14 11.102 5.742 0.543 104 1HB ALA 14 1HB ALA 14 14.040 5.816 0.378 105 2HB ALA 14 2HB ALA 14 13.207 7.276 -0.154 106 3HB ALA 14 3HB ALA 14 12.942 6.654 1.475 107 H VAL 15 H VAL 15 10.211 7.156 -0.901 108 HA VAL 15 HA VAL 15 11.129 7.385 -3.590 109 HB VAL 15 HB VAL 15 10.069 5.104 -3.428 110 1HG1 VAL 15 1HG1 VAL 15 7.534 6.739 -3.260 111 2HG1 VAL 15 2HG1 VAL 15 7.596 5.038 -3.765 112 3HG1 VAL 15 3HG1 VAL 15 8.119 5.490 -2.155 113 1HG2 VAL 15 1HG2 VAL 15 10.055 7.081 -5.458 114 2HG2 VAL 15 2HG2 VAL 15 10.175 5.336 -5.628 115 3HG2 VAL 15 3HG2 VAL 15 8.594 6.111 -5.613 116 H ASP 16 H ASP 16 8.583 7.811 -4.689 117 HA ASP 16 HA ASP 16 7.274 9.896 -3.258 118 1HB ASP 16 1HB ASP 16 8.321 10.599 -5.931 119 2HB ASP 16 2HB ASP 16 7.848 11.660 -4.614 120 H ALA 17 H ALA 17 5.486 10.699 -4.543 121 HA ALA 17 HA ALA 17 4.695 8.941 -6.738 122 1HB ALA 17 1HB ALA 17 3.968 8.454 -4.204 123 2HB ALA 17 2HB ALA 17 2.638 9.515 -4.752 124 3HB ALA 17 3HB ALA 17 3.001 8.013 -5.626 125 H GLN 18 H GLN 18 2.238 9.731 -7.221 126 HA GLN 18 HA GLN 18 2.153 12.653 -7.261 127 1HB GLN 18 1HB GLN 18 1.708 11.072 -9.790 128 2HB GLN 18 2HB GLN 18 1.837 12.817 -9.614 129 1HG GLN 18 1HG GLN 18 4.216 12.416 -8.839 130 2HG GLN 18 2HG GLN 18 4.012 10.764 -9.418 131 1HE2 GLN 18 2HE2 GLN 18 5.924 12.549 -10.411 132 2HE2 GLN 18 1HE2 GLN 18 5.545 12.894 -12.061 133 H ASP 19 H ASP 19 0.168 13.388 -6.838 134 HA ASP 19 HA ASP 19 -1.913 11.968 -5.929 135 1HB ASP 19 1HB ASP 19 -2.436 14.319 -7.710 136 2HB ASP 19 2HB ASP 19 -3.335 13.817 -6.290 137 H GLY 20 H GLY 20 -2.790 10.222 -6.670 138 1HA GLY 20 1HA GLY 20 -4.563 9.485 -8.244 139 2HA GLY 20 2HA GLY 20 -3.544 10.136 -9.521 140 H GLN 21 H GLN 21 -1.429 8.863 -7.339 141 HA GLN 21 HA GLN 21 -1.485 6.239 -8.695 142 1HB GLN 21 1HB GLN 21 0.901 7.778 -7.662 143 2HB GLN 21 2HB GLN 21 0.963 6.179 -8.390 144 1HG GLN 21 1HG GLN 21 0.570 6.979 -10.507 145 2HG GLN 21 2HG GLN 21 -0.224 8.437 -9.919 146 1HE2 GLN 21 2HE2 GLN 21 2.629 7.700 -8.258 147 2HE2 GLN 21 1HE2 GLN 21 3.661 8.824 -9.049 148 H SER 22 H SER 22 -0.811 4.419 -7.471 149 HA SER 22 HA SER 22 -1.361 4.791 -4.629 150 1HB SER 22 1HB SER 22 -1.803 2.338 -4.605 151 2HB SER 22 2HB SER 22 -2.841 3.203 -5.737 152 HG SER 22 HG SER 22 -0.518 2.393 -6.891 153 H LEU 23 H LEU 23 -0.319 2.722 -3.403 154 HA LEU 23 HA LEU 23 2.546 3.237 -3.573 155 1HB LEU 23 1HB LEU 23 0.981 1.546 -1.621 156 2HB LEU 23 2HB LEU 23 2.678 1.967 -1.483 157 HG LEU 23 HG LEU 23 1.816 3.538 -0.082 158 1HD1 LEU 23 1HD1 LEU 23 1.598 4.745 -2.822 159 2HD1 LEU 23 2HD1 LEU 23 1.349 5.683 -1.352 160 3HD1 LEU 23 3HD1 LEU 23 2.904 4.906 -1.647 161 1HD2 LEU 23 1HD2 LEU 23 -0.511 2.697 -0.442 162 2HD2 LEU 23 2HD2 LEU 23 -0.393 4.432 -0.151 163 3HD2 LEU 23 3HD2 LEU 23 -0.647 3.828 -1.788 164 H MET 24 H MET 24 0.676 1.402 -5.324 165 HA MET 24 HA MET 24 2.264 -1.051 -5.190 166 1HB MET 24 1HB MET 24 -0.178 -1.313 -5.321 167 2HB MET 24 2HB MET 24 -0.205 -0.385 -6.813 168 1HG MET 24 1HG MET 24 1.610 -2.388 -7.340 169 2HG MET 24 2HG MET 24 0.377 -3.191 -6.372 170 1HE MET 24 1HE MET 24 -0.319 -4.782 -8.057 171 2HE MET 24 2HE MET 24 -1.028 -4.440 -9.635 172 3HE MET 24 3HE MET 24 0.712 -4.272 -9.395 173 H GLU 25 H GLU 25 1.596 1.749 -7.143 174 HA GLU 25 HA GLU 25 3.215 0.765 -9.337 175 1HB GLU 25 1HB GLU 25 2.346 3.575 -9.402 176 2HB GLU 25 2HB GLU 25 2.217 2.329 -10.637 177 1HG GLU 25 1HG GLU 25 0.377 1.371 -9.043 178 2HG GLU 25 2HG GLU 25 0.337 3.025 -8.437 179 H VAL 26 H VAL 26 3.428 3.248 -6.797 180 HA VAL 26 HA VAL 26 5.736 4.493 -7.688 181 HB VAL 26 HB VAL 26 5.904 3.750 -4.851 182 1HG1 VAL 26 1HG1 VAL 26 6.207 6.136 -6.559 183 2HG1 VAL 26 2HG1 VAL 26 6.009 6.329 -4.818 184 3HG1 VAL 26 3HG1 VAL 26 7.325 5.365 -5.454 185 1HG2 VAL 26 1HG2 VAL 26 3.474 3.912 -5.110 186 2HG2 VAL 26 2HG2 VAL 26 4.196 5.137 -4.068 187 3HG2 VAL 26 3HG2 VAL 26 3.702 5.558 -5.712 188 H ALA 27 H ALA 27 5.444 1.735 -5.537 189 HA ALA 27 HA ALA 27 7.805 0.812 -5.035 190 1HB ALA 27 1HB ALA 27 5.326 -0.408 -5.353 191 2HB ALA 27 2HB ALA 27 6.453 -1.402 -6.279 192 3HB ALA 27 3HB ALA 27 6.750 -1.090 -4.565 193 H THR 28 H THR 28 6.402 -0.522 -7.981 194 HA THR 28 HA THR 28 8.710 -1.505 -9.069 195 HB THR 28 HB THR 28 7.486 -1.979 -10.902 196 HG1 THR 28 HG1 THR 28 6.894 -0.465 -12.223 197 1HG2 THR 28 1HG2 THR 28 5.831 -2.178 -9.000 198 2HG2 THR 28 2HG2 THR 28 5.144 -0.665 -9.591 199 3HG2 THR 28 3HG2 THR 28 5.173 -2.088 -10.633 200 H GLN 29 H GLN 29 7.559 1.773 -9.014 201 HA GLN 29 HA GLN 29 9.509 2.743 -10.898 202 1HB GLN 29 1HB GLN 29 7.888 4.333 -8.910 203 2HB GLN 29 2HB GLN 29 8.710 4.956 -10.332 204 1HG GLN 29 1HG GLN 29 6.875 2.848 -11.034 205 2HG GLN 29 2HG GLN 29 6.065 4.135 -10.143 206 1HE2 GLN 29 2HE2 GLN 29 8.871 4.595 -12.177 207 2HE2 GLN 29 1HE2 GLN 29 8.075 5.521 -13.399 208 H ASN 30 H ASN 30 9.279 2.352 -7.459 209 HA ASN 30 HA ASN 30 11.718 3.841 -6.939 210 1HB ASN 30 1HB ASN 30 10.641 2.204 -4.758 211 2HB ASN 30 2HB ASN 30 10.992 3.916 -4.786 212 1HD2 ASN 30 2HD2 ASN 30 8.646 2.368 -3.795 213 2HD2 ASN 30 1HD2 ASN 30 7.296 3.044 -4.565 214 H GLY 31 H GLY 31 11.224 0.956 -8.269 215 1HA GLY 31 1HA GLY 31 12.702 -0.804 -8.622 216 2HA GLY 31 2HA GLY 31 13.781 -0.092 -7.428 217 H VAL 32 H VAL 32 10.765 -0.185 -6.128 218 HA VAL 32 HA VAL 32 11.327 -1.998 -4.117 219 HB VAL 32 HB VAL 32 8.598 -1.252 -5.074 220 1HG1 VAL 32 1HG1 VAL 32 8.879 -2.905 -3.190 221 2HG1 VAL 32 2HG1 VAL 32 9.501 -1.538 -2.249 222 3HG1 VAL 32 3HG1 VAL 32 7.853 -1.496 -2.886 223 1HG2 VAL 32 1HG2 VAL 32 10.622 0.393 -3.645 224 2HG2 VAL 32 2HG2 VAL 32 9.616 0.819 -5.030 225 3HG2 VAL 32 3HG2 VAL 32 8.894 0.676 -3.422 226 HA PRO 33 HA PRO 33 11.022 -6.215 -5.159 227 1HB PRO 33 1HB PRO 33 8.591 -6.284 -3.481 228 2HB PRO 33 2HB PRO 33 10.098 -7.188 -3.325 229 1HG PRO 33 1HG PRO 33 9.338 -4.772 -1.972 230 2HG PRO 33 2HG PRO 33 10.835 -5.685 -1.797 231 1HD PRO 33 1HD PRO 33 10.668 -3.175 -2.846 232 2HD PRO 33 2HD PRO 33 11.964 -4.315 -3.216 233 H GLY 34 H GLY 34 10.172 -5.027 -7.262 234 1HA GLY 34 1HA GLY 34 8.431 -4.777 -8.860 235 2HA GLY 34 2HA GLY 34 8.841 -6.480 -8.900 236 H ILE 35 H ILE 35 6.947 -4.593 -6.538 237 HA ILE 35 HA ILE 35 4.858 -4.957 -5.677 238 HB ILE 35 HB ILE 35 4.458 -5.556 -8.596 239 1HG1 ILE 35 1HG1 ILE 35 3.366 -3.248 -7.007 240 2HG1 ILE 35 2HG1 ILE 35 4.997 -3.216 -7.671 241 1HG2 ILE 35 1HG2 ILE 35 2.327 -5.403 -6.470 242 2HG2 ILE 35 2HG2 ILE 35 2.029 -5.409 -8.207 243 3HG2 ILE 35 3HG2 ILE 35 2.756 -6.816 -7.434 244 1HD1 ILE 35 1HD1 ILE 35 4.015 -3.614 -9.919 245 2HD1 ILE 35 2HD1 ILE 35 2.416 -3.446 -9.196 246 3HD1 ILE 35 3HD1 ILE 35 3.537 -2.087 -9.180 247 H VAL 36 H VAL 36 3.110 -6.622 -5.310 248 HA VAL 36 HA VAL 36 4.273 -9.327 -5.426 249 HB VAL 36 HB VAL 36 2.127 -8.737 -3.461 250 1HG1 VAL 36 1HG1 VAL 36 4.003 -10.783 -3.981 251 2HG1 VAL 36 2HG1 VAL 36 4.422 -10.076 -2.420 252 3HG1 VAL 36 3HG1 VAL 36 2.799 -10.709 -2.694 253 1HG2 VAL 36 1HG2 VAL 36 3.642 -6.769 -3.329 254 2HG2 VAL 36 2HG2 VAL 36 3.618 -7.745 -1.860 255 3HG2 VAL 36 3HG2 VAL 36 4.975 -7.869 -2.979 256 H ALA 37 H ALA 37 1.515 -7.357 -6.148 257 HA ALA 37 HA ALA 37 -0.257 -9.590 -6.632 258 1HB ALA 37 1HB ALA 37 -0.528 -6.627 -7.073 259 2HB ALA 37 2HB ALA 37 -1.775 -7.788 -7.530 260 3HB ALA 37 3HB ALA 37 -1.303 -7.620 -5.839 261 H GLU 38 H GLU 38 -0.740 -10.520 -8.554 262 HA GLU 38 HA GLU 38 0.948 -9.792 -10.823 263 1HB GLU 38 1HB GLU 38 0.271 -11.969 -11.756 264 2HB GLU 38 2HB GLU 38 0.978 -12.128 -10.154 265 1HG GLU 38 1HG GLU 38 -0.837 -13.555 -10.083 266 2HG GLU 38 2HG GLU 38 -1.443 -12.095 -9.305 267 H CYS 39 H CYS 39 -2.151 -9.153 -9.748 268 HA CYS 39 HA CYS 39 -3.411 -9.190 -12.353 269 1HB CYS 39 1HB CYS 39 -5.374 -9.067 -11.249 270 2HB CYS 39 2HB CYS 39 -4.410 -9.469 -9.837 271 H GLY 40 H GLY 40 -1.083 -7.353 -11.443 272 1HA GLY 40 1HA GLY 40 -0.456 -5.141 -11.685 273 2HA GLY 40 2HA GLY 40 -1.351 -5.302 -13.188 274 H GLY 41 H GLY 41 -2.860 -5.487 -10.026 275 1HA GLY 41 1HA GLY 41 -4.266 -4.035 -8.918 276 2HA GLY 41 2HA GLY 41 -3.631 -2.739 -9.919 277 H SER 42 H SER 42 -4.879 -5.454 -11.596 278 HA SER 42 HA SER 42 -6.935 -3.869 -12.797 279 1HB SER 42 1HB SER 42 -5.850 -5.472 -14.197 280 2HB SER 42 2HB SER 42 -6.176 -6.780 -13.061 281 HG SER 42 HG SER 42 -8.336 -5.351 -14.121 282 H CYS 43 H CYS 43 -6.846 -5.270 -9.856 283 HA CYS 43 HA CYS 43 -8.450 -5.687 -8.291 284 1HB CYS 43 1HB CYS 43 -9.644 -3.847 -9.792 285 2HB CYS 43 2HB CYS 43 -10.686 -5.204 -10.206 286 HG CYS 43 HG CYS 43 -10.335 -4.416 -7.225 287 H VAL 44 H VAL 44 -7.448 -7.883 -9.141 288 HA VAL 44 HA VAL 44 -9.700 -9.709 -9.331 289 HB VAL 44 HB VAL 44 -7.431 -10.053 -11.278 290 1HG1 VAL 44 1HG1 VAL 44 -9.901 -11.488 -10.594 291 2HG1 VAL 44 2HG1 VAL 44 -9.606 -11.290 -12.321 292 3HG1 VAL 44 3HG1 VAL 44 -8.400 -12.081 -11.306 293 1HG2 VAL 44 1HG2 VAL 44 -10.051 -8.626 -11.680 294 2HG2 VAL 44 2HG2 VAL 44 -8.422 -8.011 -11.964 295 3HG2 VAL 44 3HG2 VAL 44 -9.086 -9.265 -13.011 296 H CYS 45 H CYS 45 -7.311 -8.892 -7.563 297 HA CYS 45 HA CYS 45 -6.649 -11.623 -6.802 298 1HB CYS 45 1HB CYS 45 -4.350 -11.450 -6.955 299 2HB CYS 45 2HB CYS 45 -4.852 -10.542 -8.376 300 H ALA 46 H ALA 46 -5.075 -11.415 -4.765 301 HA ALA 46 HA ALA 46 -5.969 -9.222 -3.044 302 1HB ALA 46 1HB ALA 46 -7.475 -11.247 -2.789 303 2HB ALA 46 2HB ALA 46 -6.081 -12.072 -2.090 304 3HB ALA 46 3HB ALA 46 -6.734 -10.630 -1.312 305 H THR 47 H THR 47 -3.450 -10.410 -4.388 306 HA THR 47 HA THR 47 -1.748 -11.041 -2.148 307 HB THR 47 HB THR 47 -0.088 -10.519 -4.303 308 HG1 THR 47 HG1 THR 47 -1.203 -11.624 -6.021 309 1HG2 THR 47 1HG2 THR 47 -0.493 -12.632 -2.746 310 2HG2 THR 47 2HG2 THR 47 -1.303 -13.210 -4.203 311 3HG2 THR 47 3HG2 THR 47 0.392 -12.725 -4.269 312 H CYS 48 H CYS 48 -2.879 -8.209 -3.600 313 HA CYS 48 HA CYS 48 -0.555 -6.587 -3.085 314 1HB CYS 48 1HB CYS 48 -2.137 -4.689 -3.614 315 2HB CYS 48 2HB CYS 48 -1.933 -5.880 -4.894 316 H ARG 49 H ARG 49 -0.975 -7.823 -0.770 317 HA ARG 49 HA ARG 49 -2.664 -6.243 0.966 318 1HB ARG 49 1HB ARG 49 -1.558 -8.831 1.056 319 2HB ARG 49 2HB ARG 49 -0.822 -7.947 2.385 320 1HG ARG 49 1HG ARG 49 -2.860 -9.140 3.053 321 2HG ARG 49 2HG ARG 49 -2.992 -7.395 3.280 322 1HD ARG 49 1HD ARG 49 -3.879 -8.180 0.646 323 2HD ARG 49 2HD ARG 49 -4.756 -9.057 1.899 324 HE ARG 49 HE ARG 49 -4.928 -6.247 1.300 325 1HH1 ARG 49 1HH1 ARG 49 -5.405 -8.703 3.723 326 2HH1 ARG 49 2HH1 ARG 49 -6.575 -7.784 4.609 327 1HH2 ARG 49 1HH2 ARG 49 -6.467 -5.028 2.460 328 2HH2 ARG 49 2HH2 ARG 49 -7.180 -5.696 3.891 329 H ILE 50 H ILE 50 -1.190 -4.370 0.025 330 HA ILE 50 HA ILE 50 1.327 -4.024 1.374 331 HB ILE 50 HB ILE 50 -0.343 -2.105 -0.249 332 1HG1 ILE 50 1HG1 ILE 50 1.937 -3.954 -0.829 333 2HG1 ILE 50 2HG1 ILE 50 0.491 -3.633 -1.780 334 1HG2 ILE 50 1HG2 ILE 50 1.100 -1.011 1.494 335 2HG2 ILE 50 2HG2 ILE 50 2.496 -1.695 0.660 336 3HG2 ILE 50 3HG2 ILE 50 1.449 -0.546 -0.170 337 1HD1 ILE 50 1HD1 ILE 50 1.714 -1.227 -1.892 338 2HD1 ILE 50 2HD1 ILE 50 3.104 -2.309 -1.803 339 3HD1 ILE 50 3HD1 ILE 50 1.913 -2.507 -3.088 340 H GLU 51 H GLU 51 1.786 -2.452 2.989 341 HA GLU 51 HA GLU 51 -0.590 -1.513 4.447 342 1HB GLU 51 1HB GLU 51 1.778 -3.034 5.446 343 2HB GLU 51 2HB GLU 51 1.004 -1.872 6.513 344 1HG GLU 51 1HG GLU 51 -1.050 -3.043 6.450 345 2HG GLU 51 2HG GLU 51 -0.501 -4.067 5.123 346 H ILE 52 H ILE 52 -0.636 0.582 4.730 347 HA ILE 52 HA ILE 52 1.540 2.312 4.087 348 HB ILE 52 HB ILE 52 -1.030 2.876 5.590 349 1HG1 ILE 52 1HG1 ILE 52 -1.107 1.950 3.177 350 2HG1 ILE 52 2HG1 ILE 52 -2.051 3.387 3.559 351 1HG2 ILE 52 1HG2 ILE 52 1.239 4.525 5.110 352 2HG2 ILE 52 2HG2 ILE 52 -0.123 5.148 4.180 353 3HG2 ILE 52 3HG2 ILE 52 -0.276 4.927 5.922 354 1HD1 ILE 52 1HD1 ILE 52 0.711 3.623 2.456 355 2HD1 ILE 52 2HD1 ILE 52 -0.676 3.343 1.400 356 3HD1 ILE 52 3HD1 ILE 52 -0.617 4.786 2.415 357 H GLU 53 H GLU 53 2.861 3.578 5.603 358 HA GLU 53 HA GLU 53 3.565 2.136 7.929 359 1HB GLU 53 1HB GLU 53 4.828 4.033 8.653 360 2HB GLU 53 2HB GLU 53 4.911 4.004 6.894 361 1HG GLU 53 1HG GLU 53 3.372 5.795 8.679 362 2HG GLU 53 2HG GLU 53 4.505 6.211 7.418 363 H ASP 54 H ASP 54 3.355 3.446 10.264 364 HA ASP 54 HA ASP 54 0.463 3.490 10.651 365 1HB ASP 54 1HB ASP 54 2.694 3.421 12.692 366 2HB ASP 54 2HB ASP 54 0.975 3.331 13.067 367 H ALA 55 H ALA 55 1.999 5.730 9.501 368 HA ALA 55 HA ALA 55 1.260 7.836 11.416 369 1HB ALA 55 1HB ALA 55 3.682 7.413 10.076 370 2HB ALA 55 2HB ALA 55 2.916 8.772 9.251 371 3HB ALA 55 3HB ALA 55 3.206 8.843 10.992 372 H TRP 56 H TRP 56 1.018 6.598 8.209 373 HA TRP 56 HA TRP 56 -0.600 8.874 7.370 374 1HB TRP 56 1HB TRP 56 0.755 6.728 5.781 375 2HB TRP 56 2HB TRP 56 -0.083 8.119 5.121 376 HD1 TRP 56 HD1 TRP 56 2.768 7.499 7.644 377 HE1 TRP 56 HE1 TRP 56 4.521 9.310 7.334 378 HE3 TRP 56 HE3 TRP 56 0.388 10.198 4.016 379 HZ2 TRP 56 HZ2 TRP 56 4.844 11.636 5.782 380 HZ3 TRP 56 HZ3 TRP 56 1.523 12.214 3.164 381 HH2 TRP 56 HH2 TRP 56 3.681 12.912 4.023 382 H VAL 57 H VAL 57 -1.199 5.807 8.500 383 HA VAL 57 HA VAL 57 -3.067 4.873 6.651 384 HB VAL 57 HB VAL 57 -3.233 4.605 9.648 385 1HG1 VAL 57 1HG1 VAL 57 -5.216 4.023 8.226 386 2HG1 VAL 57 2HG1 VAL 57 -4.218 2.772 7.488 387 3HG1 VAL 57 3HG1 VAL 57 -4.579 2.707 9.215 388 1HG2 VAL 57 1HG2 VAL 57 -1.115 4.000 8.152 389 2HG2 VAL 57 2HG2 VAL 57 -1.589 3.069 9.577 390 3HG2 VAL 57 3HG2 VAL 57 -2.040 2.510 7.964 391 H GLU 58 H GLU 58 -3.263 7.137 9.304 392 HA GLU 58 HA GLU 58 -6.079 7.616 8.929 393 1HB GLU 58 1HB GLU 58 -4.274 9.491 10.422 394 2HB GLU 58 2HB GLU 58 -5.951 9.078 10.749 395 1HG GLU 58 1HG GLU 58 -4.108 6.822 10.967 396 2HG GLU 58 2HG GLU 58 -3.792 8.127 12.109 397 H ILE 59 H ILE 59 -3.379 8.342 7.242 398 HA ILE 59 HA ILE 59 -4.332 10.961 6.294 399 HB ILE 59 HB ILE 59 -1.700 9.543 6.099 400 1HG1 ILE 59 1HG1 ILE 59 -2.000 12.448 6.539 401 2HG1 ILE 59 2HG1 ILE 59 -2.566 11.391 7.825 402 1HG2 ILE 59 1HG2 ILE 59 -2.844 11.427 4.123 403 2HG2 ILE 59 2HG2 ILE 59 -1.166 11.684 4.602 404 3HG2 ILE 59 3HG2 ILE 59 -1.659 10.139 3.908 405 1HD1 ILE 59 1HD1 ILE 59 0.069 10.717 6.780 406 2HD1 ILE 59 2HD1 ILE 59 -0.034 12.304 7.542 407 3HD1 ILE 59 3HD1 ILE 59 -0.500 10.861 8.442 408 H VAL 60 H VAL 60 -3.491 7.709 5.334 409 HA VAL 60 HA VAL 60 -4.338 8.189 2.594 410 HB VAL 60 HB VAL 60 -3.270 5.625 3.763 411 1HG1 VAL 60 1HG1 VAL 60 -4.452 5.975 1.388 412 2HG1 VAL 60 2HG1 VAL 60 -2.803 6.426 0.960 413 3HG1 VAL 60 3HG1 VAL 60 -3.130 4.837 1.647 414 1HG2 VAL 60 1HG2 VAL 60 -1.899 8.137 3.374 415 2HG2 VAL 60 2HG2 VAL 60 -1.286 6.612 4.019 416 3HG2 VAL 60 3HG2 VAL 60 -1.253 6.909 2.284 417 H GLY 61 H GLY 61 -4.864 5.304 4.610 418 1HA GLY 61 1HA GLY 61 -6.739 3.856 4.325 419 2HA GLY 61 2HA GLY 61 -7.306 5.110 5.414 420 H GLU 62 H GLU 62 -6.783 4.934 1.894 421 HA GLU 62 HA GLU 62 -9.135 6.471 1.383 422 1HB GLU 62 1HB GLU 62 -7.294 4.975 -0.474 423 2HB GLU 62 2HB GLU 62 -8.582 6.047 -1.005 424 1HG GLU 62 1HG GLU 62 -6.211 6.852 0.666 425 2HG GLU 62 2HG GLU 62 -6.397 7.135 -1.064 426 H ALA 63 H ALA 63 -8.490 3.125 1.686 427 HA ALA 63 HA ALA 63 -10.392 1.997 0.006 428 1HB ALA 63 1HB ALA 63 -9.169 1.097 2.565 429 2HB ALA 63 2HB ALA 63 -10.566 0.218 1.924 430 3HB ALA 63 3HB ALA 63 -9.095 0.371 0.959 431 H ASN 64 H ASN 64 -12.477 1.341 0.253 432 HA ASN 64 HA ASN 64 -14.111 2.911 2.051 433 1HB ASN 64 1HB ASN 64 -15.825 1.384 0.534 434 2HB ASN 64 2HB ASN 64 -15.302 3.003 0.114 435 1HD2 ASN 64 2HD2 ASN 64 -14.338 3.271 -1.774 436 2HD2 ASN 64 1HD2 ASN 64 -13.716 2.006 -2.773 437 HA PRO 65 HA PRO 65 -15.276 -0.444 4.650 438 1HB PRO 65 1HB PRO 65 -18.090 -0.469 3.809 439 2HB PRO 65 2HB PRO 65 -17.391 0.012 5.359 440 1HG PRO 65 1HG PRO 65 -18.452 1.811 3.650 441 2HG PRO 65 2HG PRO 65 -17.065 2.197 4.686 442 1HD PRO 65 1HD PRO 65 -17.106 1.463 1.778 443 2HD PRO 65 2HD PRO 65 -16.147 2.710 2.598 444 H ASP 66 H ASP 66 -15.252 -0.860 1.401 445 HA ASP 66 HA ASP 66 -16.444 -3.514 1.350 446 1HB ASP 66 1HB ASP 66 -15.458 -1.588 -0.711 447 2HB ASP 66 2HB ASP 66 -15.498 -3.302 -1.115 448 H GLU 67 H GLU 67 -13.309 -1.968 0.683 449 HA GLU 67 HA GLU 67 -11.801 -4.232 0.170 450 1HB GLU 67 1HB GLU 67 -10.760 -2.135 -0.162 451 2HB GLU 67 2HB GLU 67 -11.087 -1.618 1.487 452 1HG GLU 67 1HG GLU 67 -8.696 -2.289 0.867 453 2HG GLU 67 2HG GLU 67 -9.378 -2.913 2.368 454 H ASN 68 H ASN 68 -12.875 -2.911 3.232 455 HA ASN 68 HA ASN 68 -11.339 -4.801 4.793 456 1HB ASN 68 1HB ASN 68 -11.705 -2.607 5.744 457 2HB ASN 68 2HB ASN 68 -13.448 -2.771 5.557 458 1HD2 ASN 68 2HD2 ASN 68 -11.530 -5.471 6.566 459 2HD2 ASN 68 1HD2 ASN 68 -12.050 -5.487 8.214 460 H ASP 69 H ASP 69 -14.523 -4.511 3.450 461 HA ASP 69 HA ASP 69 -15.676 -6.604 5.063 462 1HB ASP 69 1HB ASP 69 -16.985 -4.682 4.098 463 2HB ASP 69 2HB ASP 69 -16.767 -5.409 2.509 464 H LEU 70 H LEU 70 -14.680 -6.269 1.660 465 HA LEU 70 HA LEU 70 -15.337 -8.778 0.735 466 1HB LEU 70 1HB LEU 70 -14.223 -6.717 -0.439 467 2HB LEU 70 2HB LEU 70 -12.730 -7.558 -0.070 468 HG LEU 70 HG LEU 70 -14.677 -9.317 -1.318 469 1HD1 LEU 70 1HD1 LEU 70 -13.851 -6.815 -2.772 470 2HD1 LEU 70 2HD1 LEU 70 -14.437 -8.270 -3.577 471 3HD1 LEU 70 3HD1 LEU 70 -15.487 -7.395 -2.464 472 1HD2 LEU 70 1HD2 LEU 70 -12.238 -9.723 -1.023 473 2HD2 LEU 70 2HD2 LEU 70 -12.800 -9.910 -2.684 474 3HD2 LEU 70 3HD2 LEU 70 -11.930 -8.452 -2.206 475 H LEU 71 H LEU 71 -12.536 -7.799 2.628 476 HA LEU 71 HA LEU 71 -11.294 -10.394 2.472 477 1HB LEU 71 1HB LEU 71 -10.681 -7.790 3.757 478 2HB LEU 71 2HB LEU 71 -9.980 -9.222 4.490 479 HG LEU 71 HG LEU 71 -8.408 -8.219 2.943 480 1HD1 LEU 71 1HD1 LEU 71 -8.533 -10.698 3.184 481 2HD1 LEU 71 2HD1 LEU 71 -9.518 -10.738 1.722 482 3HD1 LEU 71 3HD1 LEU 71 -7.857 -10.150 1.651 483 1HD2 LEU 71 1HD2 LEU 71 -10.737 -8.346 1.081 484 2HD2 LEU 71 2HD2 LEU 71 -9.593 -7.034 1.366 485 3HD2 LEU 71 3HD2 LEU 71 -9.099 -8.447 0.436 486 H GLN 72 H GLN 72 -13.129 -8.555 4.870 487 HA GLN 72 HA GLN 72 -12.915 -10.481 6.941 488 1HB GLN 72 1HB GLN 72 -14.785 -8.172 6.447 489 2HB GLN 72 2HB GLN 72 -14.963 -9.222 7.847 490 1HG GLN 72 1HG GLN 72 -12.253 -8.188 7.443 491 2HG GLN 72 2HG GLN 72 -13.472 -6.958 7.773 492 1HE2 GLN 72 2HE2 GLN 72 -14.988 -7.590 9.623 493 2HE2 GLN 72 1HE2 GLN 72 -14.224 -8.232 11.034 494 H SER 73 H SER 73 -14.934 -10.198 4.153 495 HA SER 73 HA SER 73 -17.000 -11.957 5.106 496 1HB SER 73 1HB SER 73 -17.964 -11.747 2.924 497 2HB SER 73 2HB SER 73 -17.328 -10.159 3.354 498 HG SER 73 HG SER 73 -15.344 -11.110 2.180 499 H THR 74 H THR 74 -13.905 -12.327 3.701 500 HA THR 74 HA THR 74 -14.430 -14.986 2.659 501 HB THR 74 HB THR 74 -12.166 -14.958 1.875 502 HG1 THR 74 HG1 THR 74 -10.679 -13.933 2.915 503 1HG2 THR 74 1HG2 THR 74 -13.946 -12.867 1.227 504 2HG2 THR 74 2HG2 THR 74 -12.318 -12.189 1.287 505 3HG2 THR 74 3HG2 THR 74 -12.661 -13.565 0.240 506 H GLY 75 H GLY 75 -12.849 -13.467 5.409 507 1HA GLY 75 1HA GLY 75 -12.947 -14.733 7.515 508 2HA GLY 75 2HA GLY 75 -12.516 -16.159 6.584 509 H GLU 76 H GLU 76 -10.813 -13.547 5.413 510 HA GLU 76 HA GLU 76 -8.423 -14.393 6.886 511 1HB GLU 76 1HB GLU 76 -8.948 -13.390 4.164 512 2HB GLU 76 2HB GLU 76 -7.491 -12.758 4.919 513 1HG GLU 76 1HG GLU 76 -7.006 -15.251 5.459 514 2HG GLU 76 2HG GLU 76 -8.169 -15.565 4.172 515 HA PRO 77 HA PRO 77 -8.710 -10.529 9.112 516 1HB PRO 77 1HB PRO 77 -6.502 -10.876 10.633 517 2HB PRO 77 2HB PRO 77 -8.014 -11.736 10.945 518 1HG PRO 77 1HG PRO 77 -5.548 -12.689 9.543 519 2HG PRO 77 2HG PRO 77 -6.562 -13.539 10.722 520 1HD PRO 77 1HD PRO 77 -6.736 -13.957 8.040 521 2HD PRO 77 2HD PRO 77 -8.119 -14.136 9.139 522 H MET 78 H MET 78 -7.015 -8.782 9.724 523 HA MET 78 HA MET 78 -4.996 -8.471 7.619 524 1HB MET 78 1HB MET 78 -6.567 -6.057 8.360 525 2HB MET 78 2HB MET 78 -5.791 -6.468 6.837 526 1HG MET 78 1HG MET 78 -7.561 -7.923 6.229 527 2HG MET 78 2HG MET 78 -8.268 -7.838 7.841 528 1HE MET 78 1HE MET 78 -8.571 -5.093 8.795 529 2HE MET 78 2HE MET 78 -9.997 -4.446 7.985 530 3HE MET 78 3HE MET 78 -9.997 -6.107 8.578 531 H THR 79 H THR 79 -4.369 -5.784 8.341 532 HA THR 79 HA THR 79 -3.492 -6.033 11.132 533 HB THR 79 HB THR 79 -1.280 -4.997 10.336 534 HG1 THR 79 HG1 THR 79 -2.008 -6.186 7.881 535 1HG2 THR 79 1HG2 THR 79 -2.120 -7.755 10.314 536 2HG2 THR 79 2HG2 THR 79 -0.817 -7.460 9.163 537 3HG2 THR 79 3HG2 THR 79 -0.606 -7.038 10.863 538 H ALA 80 H ALA 80 -2.154 -3.765 11.524 539 HA ALA 80 HA ALA 80 -4.224 -1.758 11.235 540 1HB ALA 80 1HB ALA 80 -1.785 -2.061 12.892 541 2HB ALA 80 2HB ALA 80 -2.347 -0.424 12.550 542 3HB ALA 80 3HB ALA 80 -3.417 -1.575 13.352 543 H GLY 81 H GLY 81 -4.309 -0.519 9.498 544 1HA GLY 81 1HA GLY 81 -3.452 1.242 8.182 545 2HA GLY 81 2HA GLY 81 -1.828 0.670 8.495 546 H THR 82 H THR 82 -3.894 -1.859 7.727 547 HA THR 82 HA THR 82 -2.560 -2.398 5.271 548 HB THR 82 HB THR 82 -5.091 -3.817 5.755 549 HG1 THR 82 HG1 THR 82 -4.743 -3.788 7.849 550 1HG2 THR 82 1HG2 THR 82 -3.086 -4.499 4.273 551 2HG2 THR 82 2HG2 THR 82 -2.376 -5.049 5.790 552 3HG2 THR 82 3HG2 THR 82 -3.910 -5.723 5.239 553 H ARG 83 H ARG 83 -3.267 -2.210 3.169 554 HA ARG 83 HA ARG 83 -5.923 -1.541 2.445 555 1HB ARG 83 1HB ARG 83 -4.694 0.630 3.461 556 2HB ARG 83 2HB ARG 83 -4.168 0.756 1.788 557 1HG ARG 83 1HG ARG 83 -6.994 0.712 2.818 558 2HG ARG 83 2HG ARG 83 -6.147 2.054 2.047 559 1HD ARG 83 1HD ARG 83 -5.887 0.225 0.118 560 2HD ARG 83 2HD ARG 83 -7.376 -0.364 0.854 561 HE ARG 83 HE ARG 83 -7.407 2.456 0.315 562 1HH1 ARG 83 1HH1 ARG 83 -7.970 -0.713 -1.010 563 2HH1 ARG 83 2HH1 ARG 83 -9.056 -0.150 -2.236 564 1HH2 ARG 83 1HH2 ARG 83 -8.830 3.210 -1.303 565 2HH2 ARG 83 2HH2 ARG 83 -9.543 2.079 -2.404 566 H LEU 84 H LEU 84 -6.251 -1.946 0.326 567 HA LEU 84 HA LEU 84 -4.382 -3.299 -1.195 568 1HB LEU 84 1HB LEU 84 -6.684 -1.666 -2.267 569 2HB LEU 84 2HB LEU 84 -5.882 -2.998 -3.079 570 HG LEU 84 HG LEU 84 -7.731 -3.098 -0.714 571 1HD1 LEU 84 1HD1 LEU 84 -7.751 -4.001 -3.532 572 2HD1 LEU 84 2HD1 LEU 84 -8.520 -5.048 -2.341 573 3HD1 LEU 84 3HD1 LEU 84 -9.060 -3.380 -2.528 574 1HD2 LEU 84 1HD2 LEU 84 -5.731 -5.151 -1.615 575 2HD2 LEU 84 2HD2 LEU 84 -5.985 -4.503 0.004 576 3HD2 LEU 84 3HD2 LEU 84 -7.185 -5.579 -0.712 577 H SER 85 H SER 85 -2.618 -2.686 -2.252 578 HA SER 85 HA SER 85 -1.907 0.078 -2.446 579 1HB SER 85 1HB SER 85 0.151 -0.798 -3.563 580 2HB SER 85 2HB SER 85 -0.171 -1.531 -1.994 581 HG SER 85 HG SER 85 -1.122 -2.737 -4.351 582 H CYS 86 H CYS 86 -3.870 -1.805 -4.337 583 HA CYS 86 HA CYS 86 -3.158 -0.341 -6.787 584 1HB CYS 86 1HB CYS 86 -4.239 -2.049 -8.057 585 2HB CYS 86 2HB CYS 86 -3.209 -2.861 -6.882 586 H GLN 87 H GLN 87 -4.974 0.242 -4.287 587 HA GLN 87 HA GLN 87 -7.158 1.361 -5.902 588 1HB GLN 87 1HB GLN 87 -7.342 -0.297 -3.428 589 2HB GLN 87 2HB GLN 87 -8.534 0.969 -3.690 590 1HG GLN 87 1HG GLN 87 -7.927 -1.219 -5.661 591 2HG GLN 87 2HG GLN 87 -9.237 -1.272 -4.481 592 1HE2 GLN 87 2HE2 GLN 87 -9.129 -1.191 -7.486 593 2HE2 GLN 87 1HE2 GLN 87 -10.201 0.093 -7.920 594 H VAL 88 H VAL 88 -4.698 1.930 -3.627 595 HA VAL 88 HA VAL 88 -6.002 4.332 -2.590 596 HB VAL 88 HB VAL 88 -3.534 2.804 -1.803 597 1HG1 VAL 88 1HG1 VAL 88 -2.991 5.200 -1.811 598 2HG1 VAL 88 2HG1 VAL 88 -4.344 5.491 -0.718 599 3HG1 VAL 88 3HG1 VAL 88 -2.981 4.505 -0.188 600 1HG2 VAL 88 1HG2 VAL 88 -6.075 3.560 -0.382 601 2HG2 VAL 88 2HG2 VAL 88 -5.532 1.948 -0.850 602 3HG2 VAL 88 3HG2 VAL 88 -4.683 2.831 0.418 603 H PHE 89 H PHE 89 -5.766 6.075 -3.908 604 HA PHE 89 HA PHE 89 -3.194 6.354 -5.293 605 1HB PHE 89 1HB PHE 89 -5.784 7.689 -6.018 606 2HB PHE 89 2HB PHE 89 -4.317 7.624 -6.985 607 HD1 PHE 89 HD1 PHE 89 -3.922 4.659 -5.940 608 HD2 PHE 89 HD2 PHE 89 -6.990 6.748 -8.011 609 HE1 PHE 89 HE1 PHE 89 -4.680 2.528 -6.939 610 HE2 PHE 89 HE2 PHE 89 -7.764 4.633 -9.024 611 HZ PHE 89 HZ PHE 89 -6.605 2.518 -8.490 612 H ILE 90 H ILE 90 -1.949 8.005 -5.056 613 HA ILE 90 HA ILE 90 -1.855 9.640 -2.898 614 HB ILE 90 HB ILE 90 -0.781 10.015 -5.687 615 1HG1 ILE 90 1HG1 ILE 90 -0.184 8.109 -3.890 616 2HG1 ILE 90 2HG1 ILE 90 0.991 8.761 -5.029 617 1HG2 ILE 90 1HG2 ILE 90 -0.258 11.615 -3.214 618 2HG2 ILE 90 2HG2 ILE 90 0.940 11.444 -4.494 619 3HG2 ILE 90 3HG2 ILE 90 -0.619 12.187 -4.840 620 1HD1 ILE 90 1HD1 ILE 90 1.699 10.388 -3.281 621 2HD1 ILE 90 2HD1 ILE 90 0.608 9.559 -2.160 622 3HD1 ILE 90 3HD1 ILE 90 1.975 8.690 -2.854 623 H ASP 91 H ASP 91 -1.998 11.993 -2.759 624 HA ASP 91 HA ASP 91 -3.464 13.645 -4.450 625 1HB ASP 91 1HB ASP 91 -5.638 13.439 -3.741 626 2HB ASP 91 2HB ASP 91 -5.128 11.855 -3.180 627 HA PRO 92 HA PRO 92 -1.592 16.494 -1.592 628 1HB PRO 92 1HB PRO 92 -4.067 18.091 -1.327 629 2HB PRO 92 2HB PRO 92 -2.502 18.556 -2.003 630 1HG PRO 92 1HG PRO 92 -4.620 18.166 -3.591 631 2HG PRO 92 2HG PRO 92 -2.991 17.670 -4.095 632 1HD PRO 92 1HD PRO 92 -5.213 15.994 -2.966 633 2HD PRO 92 2HD PRO 92 -4.137 15.645 -4.339 634 H SER 93 H SER 93 -2.624 14.247 -0.430 635 HA SER 93 HA SER 93 -3.265 15.130 2.272 636 1HB SER 93 1HB SER 93 -5.222 13.968 2.386 637 2HB SER 93 2HB SER 93 -5.187 14.064 0.617 638 HG SER 93 HG SER 93 -5.051 11.904 2.171 639 H MET 94 H MET 94 -2.158 12.657 0.043 640 HA MET 94 HA MET 94 -0.703 11.272 2.177 641 1HB MET 94 1HB MET 94 -1.678 10.338 -0.529 642 2HB MET 94 2HB MET 94 -0.656 9.379 0.525 643 1HG MET 94 1HG MET 94 -2.451 8.609 1.552 644 2HG MET 94 2HG MET 94 -2.869 10.246 2.051 645 1HE MET 94 1HE MET 94 -2.866 7.622 -0.458 646 2HE MET 94 2HE MET 94 -4.600 7.305 -0.402 647 3HE MET 94 3HE MET 94 -3.904 8.162 -1.777 648 H ASP 95 H ASP 95 0.338 13.629 1.176 649 HA ASP 95 HA ASP 95 2.233 12.956 -0.839 650 1HB ASP 95 1HB ASP 95 2.298 15.596 0.518 651 2HB ASP 95 2HB ASP 95 2.454 15.231 -1.185 652 H GLY 96 H GLY 96 4.241 12.301 -0.396 653 1HA GLY 96 1HA GLY 96 6.212 12.015 0.833 654 2HA GLY 96 2HA GLY 96 5.560 13.105 2.055 655 H LEU 97 H LEU 97 3.659 10.527 0.794 656 HA LEU 97 HA LEU 97 3.169 9.472 3.362 657 1HB LEU 97 1HB LEU 97 1.435 8.393 2.431 658 2HB LEU 97 2HB LEU 97 1.733 9.531 1.133 659 HG LEU 97 HG LEU 97 3.357 7.341 0.528 660 1HD1 LEU 97 1HD1 LEU 97 0.682 6.472 1.595 661 2HD1 LEU 97 2HD1 LEU 97 1.655 5.501 0.490 662 3HD1 LEU 97 3HD1 LEU 97 2.279 5.911 2.088 663 1HD2 LEU 97 1HD2 LEU 97 1.779 8.943 -0.823 664 2HD2 LEU 97 2HD2 LEU 97 2.172 7.338 -1.436 665 3HD2 LEU 97 3HD2 LEU 97 0.629 7.620 -0.632 666 H ILE 98 H ILE 98 3.475 7.412 4.132 667 HA ILE 98 HA ILE 98 5.900 6.165 3.100 668 HB ILE 98 HB ILE 98 4.866 6.149 5.874 669 1HG1 ILE 98 1HG1 ILE 98 6.864 7.492 6.383 670 2HG1 ILE 98 2HG1 ILE 98 7.259 7.504 4.663 671 1HG2 ILE 98 1HG2 ILE 98 6.009 4.054 5.282 672 2HG2 ILE 98 2HG2 ILE 98 7.439 4.998 4.865 673 3HG2 ILE 98 3HG2 ILE 98 6.850 4.979 6.527 674 1HD1 ILE 98 1HD1 ILE 98 4.550 8.337 5.258 675 2HD1 ILE 98 2HD1 ILE 98 5.785 9.390 5.949 676 3HD1 ILE 98 3HD1 ILE 98 5.759 9.080 4.212 677 H VAL 99 H VAL 99 5.956 4.006 2.636 678 HA VAL 99 HA VAL 99 3.519 2.530 3.270 679 HB VAL 99 HB VAL 99 4.937 1.653 0.895 680 1HG1 VAL 99 1HG1 VAL 99 2.287 1.716 2.125 681 2HG1 VAL 99 2HG1 VAL 99 2.303 1.809 0.359 682 3HG1 VAL 99 3HG1 VAL 99 3.078 0.451 1.170 683 1HG2 VAL 99 1HG2 VAL 99 3.333 4.210 0.928 684 2HG2 VAL 99 2HG2 VAL 99 5.042 4.054 0.523 685 3HG2 VAL 99 3HG2 VAL 99 3.819 3.340 -0.528 686 H ARG 100 H ARG 100 3.687 0.229 3.494 687 HA ARG 100 HA ARG 100 6.406 -0.788 3.842 688 1HB ARG 100 1HB ARG 100 4.256 -1.075 5.943 689 2HB ARG 100 2HB ARG 100 5.883 -1.737 6.023 690 1HG ARG 100 1HG ARG 100 6.770 0.570 5.983 691 2HG ARG 100 2HG ARG 100 5.114 1.172 6.045 692 1HD ARG 100 1HD ARG 100 4.796 0.470 8.213 693 2HD ARG 100 2HD ARG 100 6.018 -0.795 8.094 694 HE ARG 100 HE ARG 100 7.163 1.807 7.898 695 1HH1 ARG 100 1HH1 ARG 100 5.912 -0.536 10.150 696 2HH1 ARG 100 2HH1 ARG 100 6.862 0.042 11.479 697 1HH2 ARG 100 1HH2 ARG 100 8.419 2.576 9.639 698 2HH2 ARG 100 2HH2 ARG 100 8.286 1.811 11.188 699 H VAL 101 H VAL 101 6.485 -3.136 4.142 700 HA VAL 101 HA VAL 101 4.249 -4.488 2.778 701 HB VAL 101 HB VAL 101 7.201 -5.092 2.558 702 1HG1 VAL 101 1HG1 VAL 101 5.678 -7.090 2.572 703 2HG1 VAL 101 2HG1 VAL 101 4.938 -6.446 1.107 704 3HG1 VAL 101 3HG1 VAL 101 6.644 -6.893 1.109 705 1HG2 VAL 101 1HG2 VAL 101 6.162 -3.097 1.303 706 2HG2 VAL 101 2HG2 VAL 101 7.139 -4.248 0.391 707 3HG2 VAL 101 3HG2 VAL 101 5.378 -4.323 0.307 708 HA PRO 102 HA PRO 102 3.799 -7.070 6.333 709 1HB PRO 102 1HB PRO 102 3.171 -9.415 4.985 710 2HB PRO 102 2HB PRO 102 2.018 -8.157 5.437 711 1HG PRO 102 1HG PRO 102 3.379 -8.633 2.824 712 2HG PRO 102 2HG PRO 102 1.713 -8.124 3.144 713 1HD PRO 102 1HD PRO 102 3.554 -6.364 2.341 714 2HD PRO 102 2HD PRO 102 2.336 -5.917 3.556 715 H LEU 103 H LEU 103 4.334 -9.586 6.732 716 HA LEU 103 HA LEU 103 7.212 -9.852 6.158 717 1HB LEU 103 1HB LEU 103 5.735 -11.108 8.463 718 2HB LEU 103 2HB LEU 103 7.471 -10.983 8.245 719 HG LEU 103 HG LEU 103 6.792 -8.359 8.251 720 1HD1 LEU 103 1HD1 LEU 103 4.752 -9.835 9.880 721 2HD1 LEU 103 2HD1 LEU 103 5.252 -8.195 10.295 722 3HD1 LEU 103 3HD1 LEU 103 4.512 -8.520 8.728 723 1HD2 LEU 103 1HD2 LEU 103 8.360 -9.959 9.716 724 2HD2 LEU 103 2HD2 LEU 103 8.028 -8.280 10.144 725 3HD2 LEU 103 3HD2 LEU 103 7.127 -9.583 10.920 726 HA PRO 104 HA PRO 104 6.489 -13.764 4.261 727 1HB PRO 104 1HB PRO 104 8.874 -14.967 5.366 728 2HB PRO 104 2HB PRO 104 8.619 -14.314 3.747 729 1HG PRO 104 1HG PRO 104 10.291 -13.186 5.601 730 2HG PRO 104 2HG PRO 104 9.516 -12.285 4.285 731 1HD PRO 104 1HD PRO 104 8.734 -12.478 7.170 732 2HD PRO 104 2HD PRO 104 8.719 -11.066 6.088 733 H ALA 105 H ALA 105 6.325 -16.137 4.637 734 HA ALA 105 HA ALA 105 5.012 -16.629 7.165 735 1HB ALA 105 1HB ALA 105 4.132 -17.413 4.946 736 2HB ALA 105 2HB ALA 105 5.440 -18.595 4.926 737 3HB ALA 105 3HB ALA 105 4.221 -18.650 6.200 Start of MODEL 5 1 2H PRO 1 2H PRO 1 3.679 15.013 -5.220 2 1H PRO 1 1H PRO 1 4.439 13.565 -5.422 3 HA PRO 1 HA PRO 1 4.262 15.111 -3.237 4 1HB PRO 1 1HB PRO 1 3.312 12.416 -2.467 5 2HB PRO 1 2HB PRO 1 2.968 13.972 -1.749 6 1HG PRO 1 1HG PRO 1 1.133 12.859 -3.158 7 2HG PRO 1 2HG PRO 1 1.479 14.578 -3.412 8 1HD PRO 1 1HD PRO 1 2.508 12.225 -4.998 9 2HD PRO 1 2HD PRO 1 1.663 13.654 -5.600 10 H ARG 2 H ARG 2 5.123 13.532 -1.350 11 HA ARG 2 HA ARG 2 7.544 12.224 -2.455 12 1HB ARG 2 1HB ARG 2 7.207 14.195 -0.408 13 2HB ARG 2 2HB ARG 2 7.797 12.717 0.340 14 1HG ARG 2 1HG ARG 2 9.486 12.755 -1.639 15 2HG ARG 2 2HG ARG 2 9.094 14.472 -1.652 16 1HD ARG 2 1HD ARG 2 9.502 13.663 1.041 17 2HD ARG 2 2HD ARG 2 10.856 13.074 0.080 18 HE ARG 2 HE ARG 2 10.638 15.638 -0.717 19 1HH1 ARG 2 1HH1 ARG 2 10.821 14.143 2.426 20 2HH1 ARG 2 2HH1 ARG 2 11.588 15.505 3.171 21 1HH2 ARG 2 1HH2 ARG 2 11.653 17.434 0.254 22 2HH2 ARG 2 2HH2 ARG 2 12.060 17.376 1.937 23 H VAL 3 H VAL 3 8.278 10.197 -1.203 24 HA VAL 3 HA VAL 3 6.259 9.152 0.560 25 HB VAL 3 HB VAL 3 6.330 8.502 -2.284 26 1HG1 VAL 3 1HG1 VAL 3 7.273 6.435 -1.073 27 2HG1 VAL 3 2HG1 VAL 3 5.618 6.244 -0.507 28 3HG1 VAL 3 3HG1 VAL 3 5.962 6.288 -2.248 29 1HG2 VAL 3 1HG2 VAL 3 4.500 8.943 -0.145 30 2HG2 VAL 3 2HG2 VAL 3 4.253 9.044 -1.892 31 3HG2 VAL 3 3HG2 VAL 3 4.093 7.494 -1.064 32 H VAL 4 H VAL 4 6.737 6.834 1.120 33 HA VAL 4 HA VAL 4 9.459 6.034 0.750 34 HB VAL 4 HB VAL 4 8.642 7.157 3.398 35 1HG1 VAL 4 1HG1 VAL 4 10.168 4.702 2.919 36 2HG1 VAL 4 2HG1 VAL 4 11.031 5.897 3.895 37 3HG1 VAL 4 3HG1 VAL 4 9.448 5.314 4.414 38 1HG2 VAL 4 1HG2 VAL 4 10.863 7.442 1.436 39 2HG2 VAL 4 2HG2 VAL 4 9.923 8.690 2.257 40 3HG2 VAL 4 3HG2 VAL 4 11.171 7.806 3.137 41 H PHE 5 H PHE 5 9.162 4.093 0.235 42 HA PHE 5 HA PHE 5 7.104 2.413 1.456 43 1HB PHE 5 1HB PHE 5 9.125 2.018 -0.731 44 2HB PHE 5 2HB PHE 5 8.111 0.721 -0.139 45 HD1 PHE 5 HD1 PHE 5 6.737 4.163 -0.574 46 HD2 PHE 5 HD2 PHE 5 7.222 0.289 -2.237 47 HE1 PHE 5 HE1 PHE 5 5.113 4.698 -2.325 48 HE2 PHE 5 HE2 PHE 5 5.616 0.788 -3.947 49 HZ PHE 5 HZ PHE 5 4.517 2.993 -4.012 50 H ILE 6 H ILE 6 7.902 0.130 1.948 51 HA ILE 6 HA ILE 6 10.596 -0.152 2.873 52 HB ILE 6 HB ILE 6 8.235 -0.140 4.703 53 1HG1 ILE 6 1HG1 ILE 6 10.297 1.290 5.800 54 2HG1 ILE 6 2HG1 ILE 6 10.455 1.646 4.102 55 1HG2 ILE 6 1HG2 ILE 6 11.016 -1.142 5.194 56 2HG2 ILE 6 2HG2 ILE 6 9.808 -0.876 6.451 57 3HG2 ILE 6 3HG2 ILE 6 9.526 -2.081 5.195 58 1HD1 ILE 6 1HD1 ILE 6 7.758 1.873 5.262 59 2HD1 ILE 6 2HD1 ILE 6 8.949 3.075 5.754 60 3HD1 ILE 6 3HD1 ILE 6 8.566 2.861 4.046 61 H ASP 7 H ASP 7 10.996 -2.379 3.641 62 HA ASP 7 HA ASP 7 9.037 -4.387 3.387 63 1HB ASP 7 1HB ASP 7 9.439 -3.564 1.001 64 2HB ASP 7 2HB ASP 7 10.992 -4.388 1.108 65 H GLU 8 H GLU 8 10.259 -6.619 3.025 66 HA GLU 8 HA GLU 8 12.303 -6.688 5.067 67 1HB GLU 8 1HB GLU 8 10.619 -8.323 5.349 68 2HB GLU 8 2HB GLU 8 10.675 -8.789 3.654 69 1HG GLU 8 1HG GLU 8 12.439 -10.155 3.942 70 2HG GLU 8 2HG GLU 8 13.165 -9.125 5.173 71 H GLN 9 H GLN 9 12.292 -6.291 1.795 72 HA GLN 9 HA GLN 9 14.618 -7.945 1.237 73 1HB GLN 9 1HB GLN 9 12.817 -6.209 -0.422 74 2HB GLN 9 2HB GLN 9 14.377 -6.721 -1.051 75 1HG GLN 9 1HG GLN 9 12.326 -8.651 -0.009 76 2HG GLN 9 2HG GLN 9 12.392 -8.131 -1.692 77 1HE2 GLN 9 2HE2 GLN 9 13.824 -9.054 -3.035 78 2HE2 GLN 9 1HE2 GLN 9 14.978 -10.252 -2.570 79 H SER 10 H SER 10 13.775 -4.600 1.810 80 HA SER 10 HA SER 10 16.630 -3.959 1.928 81 1HB SER 10 1HB SER 10 15.391 -3.230 -0.274 82 2HB SER 10 2HB SER 10 14.772 -1.933 0.745 83 HG SER 10 HG SER 10 17.438 -2.277 1.083 84 H GLY 11 H GLY 11 13.811 -4.082 3.570 85 1HA GLY 11 1HA GLY 11 13.019 -3.056 5.477 86 2HA GLY 11 2HA GLY 11 14.698 -2.650 5.773 87 H GLU 12 H GLU 12 13.368 -1.465 2.887 88 HA GLU 12 HA GLU 12 12.016 0.820 3.529 89 1HB GLU 12 1HB GLU 12 13.695 1.749 4.855 90 2HB GLU 12 2HB GLU 12 14.983 1.179 3.800 91 1HG GLU 12 1HG GLU 12 14.351 2.790 2.106 92 2HG GLU 12 2HG GLU 12 12.993 3.324 3.092 93 H TYR 13 H TYR 13 11.486 1.963 1.773 94 HA TYR 13 HA TYR 13 13.017 1.642 -0.675 95 1HB TYR 13 1HB TYR 13 10.214 0.677 -0.235 96 2HB TYR 13 2HB TYR 13 10.805 1.073 -1.847 97 HD1 TYR 13 HD1 TYR 13 11.648 -0.980 1.142 98 HD2 TYR 13 HD2 TYR 13 11.897 -0.583 -3.071 99 HE1 TYR 13 HE1 TYR 13 12.692 -3.209 1.004 100 HE2 TYR 13 HE2 TYR 13 12.926 -2.783 -3.249 101 HH TYR 13 HH TYR 13 13.935 -4.451 -2.060 102 H ALA 14 H ALA 14 13.087 3.877 0.589 103 HA ALA 14 HA ALA 14 11.179 5.823 0.544 104 1HB ALA 14 1HB ALA 14 14.132 5.927 0.117 105 2HB ALA 14 2HB ALA 14 13.166 7.397 0.000 106 3HB ALA 14 3HB ALA 14 13.176 6.467 1.498 107 H VAL 15 H VAL 15 10.338 7.289 -0.845 108 HA VAL 15 HA VAL 15 11.199 7.612 -3.529 109 HB VAL 15 HB VAL 15 10.129 5.329 -3.464 110 1HG1 VAL 15 1HG1 VAL 15 7.637 6.977 -3.131 111 2HG1 VAL 15 2HG1 VAL 15 7.644 5.336 -3.816 112 3HG1 VAL 15 3HG1 VAL 15 8.205 5.603 -2.171 113 1HG2 VAL 15 1HG2 VAL 15 10.008 7.411 -5.417 114 2HG2 VAL 15 2HG2 VAL 15 10.217 5.684 -5.654 115 3HG2 VAL 15 3HG2 VAL 15 8.591 6.363 -5.557 116 H ASP 16 H ASP 16 8.703 8.134 -4.601 117 HA ASP 16 HA ASP 16 7.343 10.084 -3.045 118 1HB ASP 16 1HB ASP 16 8.382 10.982 -5.658 119 2HB ASP 16 2HB ASP 16 7.918 11.945 -4.263 120 H ALA 17 H ALA 17 5.551 10.915 -4.332 121 HA ALA 17 HA ALA 17 4.882 9.207 -6.607 122 1HB ALA 17 1HB ALA 17 4.070 8.654 -4.126 123 2HB ALA 17 2HB ALA 17 2.756 9.735 -4.679 124 3HB ALA 17 3HB ALA 17 3.140 8.259 -5.588 125 H GLN 18 H GLN 18 2.418 9.984 -7.141 126 HA GLN 18 HA GLN 18 2.277 12.892 -7.177 127 1HB GLN 18 1HB GLN 18 2.105 11.348 -9.761 128 2HB GLN 18 2HB GLN 18 2.149 13.093 -9.551 129 1HG GLN 18 1HG GLN 18 4.460 12.852 -8.647 130 2HG GLN 18 2HG GLN 18 4.394 11.146 -9.088 131 1HE2 GLN 18 2HE2 GLN 18 6.251 11.652 -10.406 132 2HE2 GLN 18 1HE2 GLN 18 6.023 12.328 -11.978 133 H ASP 19 H ASP 19 0.232 13.517 -6.817 134 HA ASP 19 HA ASP 19 -1.854 11.968 -6.169 135 1HB ASP 19 1HB ASP 19 -2.323 14.422 -7.832 136 2HB ASP 19 2HB ASP 19 -3.333 13.780 -6.551 137 H GLY 20 H GLY 20 -2.601 10.254 -7.080 138 1HA GLY 20 1HA GLY 20 -4.198 9.538 -8.846 139 2HA GLY 20 2HA GLY 20 -3.088 10.288 -9.989 140 H GLN 21 H GLN 21 -1.167 9.013 -7.646 141 HA GLN 21 HA GLN 21 -0.887 6.468 -9.112 142 1HB GLN 21 1HB GLN 21 1.196 8.149 -7.718 143 2HB GLN 21 2HB GLN 21 1.497 6.538 -8.355 144 1HG GLN 21 1HG GLN 21 1.366 7.236 -10.549 145 2HG GLN 21 2HG GLN 21 0.409 8.656 -10.141 146 1HE2 GLN 21 2HE2 GLN 21 3.013 8.159 -8.047 147 2HE2 GLN 21 1HE2 GLN 21 4.085 9.323 -8.720 148 H SER 22 H SER 22 -0.384 4.600 -7.899 149 HA SER 22 HA SER 22 -1.321 4.764 -5.130 150 1HB SER 22 1HB SER 22 -1.965 2.497 -5.318 151 2HB SER 22 2HB SER 22 -2.323 3.162 -6.909 152 HG SER 22 HG SER 22 -1.198 1.374 -7.365 153 H LEU 23 H LEU 23 -0.251 3.135 -3.594 154 HA LEU 23 HA LEU 23 2.596 3.640 -3.606 155 1HB LEU 23 1HB LEU 23 0.781 2.152 -1.717 156 2HB LEU 23 2HB LEU 23 2.523 2.208 -1.503 157 HG LEU 23 HG LEU 23 2.528 4.458 -0.957 158 1HD1 LEU 23 1HD1 LEU 23 -0.141 4.645 -2.336 159 2HD1 LEU 23 2HD1 LEU 23 0.561 5.951 -1.379 160 3HD1 LEU 23 3HD1 LEU 23 1.386 5.377 -2.829 161 1HD2 LEU 23 1HD2 LEU 23 0.509 2.825 0.252 162 2HD2 LEU 23 2HD2 LEU 23 1.549 4.046 0.987 163 3HD2 LEU 23 3HD2 LEU 23 0.008 4.517 0.270 164 H MET 24 H MET 24 0.814 1.529 -5.286 165 HA MET 24 HA MET 24 2.614 -0.752 -5.002 166 1HB MET 24 1HB MET 24 0.322 -1.405 -5.155 167 2HB MET 24 2HB MET 24 0.034 -0.327 -6.513 168 1HG MET 24 1HG MET 24 1.976 -1.919 -7.524 169 2HG MET 24 2HG MET 24 1.140 -3.041 -6.452 170 1HE MET 24 1HE MET 24 1.319 -0.879 -9.290 171 2HE MET 24 2HE MET 24 0.418 -1.821 -10.477 172 3HE MET 24 3HE MET 24 -0.342 -0.440 -9.687 173 H GLU 25 H GLU 25 1.619 1.779 -7.188 174 HA GLU 25 HA GLU 25 3.326 0.907 -9.333 175 1HB GLU 25 1HB GLU 25 1.170 2.150 -9.695 176 2HB GLU 25 2HB GLU 25 1.947 3.575 -9.022 177 1HG GLU 25 1HG GLU 25 2.592 4.077 -11.077 178 2HG GLU 25 2HG GLU 25 3.695 2.704 -10.989 179 H VAL 26 H VAL 26 3.507 3.428 -6.814 180 HA VAL 26 HA VAL 26 5.749 4.722 -7.781 181 HB VAL 26 HB VAL 26 6.062 4.097 -4.928 182 1HG1 VAL 26 1HG1 VAL 26 7.141 5.829 -6.444 183 2HG1 VAL 26 2HG1 VAL 26 5.648 6.735 -6.250 184 3HG1 VAL 26 3HG1 VAL 26 6.624 6.341 -4.843 185 1HG2 VAL 26 1HG2 VAL 26 3.588 4.088 -5.156 186 2HG2 VAL 26 2HG2 VAL 26 4.278 5.323 -4.099 187 3HG2 VAL 26 3HG2 VAL 26 3.719 5.760 -5.715 188 H ALA 27 H ALA 27 5.573 1.987 -5.625 189 HA ALA 27 HA ALA 27 7.941 1.084 -5.131 190 1HB ALA 27 1HB ALA 27 5.491 -0.180 -5.499 191 2HB ALA 27 2HB ALA 27 6.639 -1.121 -6.453 192 3HB ALA 27 3HB ALA 27 6.926 -0.860 -4.729 193 H THR 28 H THR 28 6.570 -0.203 -8.110 194 HA THR 28 HA THR 28 8.885 -1.140 -9.227 195 HB THR 28 HB THR 28 7.658 -1.585 -11.067 196 HG1 THR 28 HG1 THR 28 7.228 -0.004 -12.346 197 1HG2 THR 28 1HG2 THR 28 6.001 -1.818 -9.156 198 2HG2 THR 28 2HG2 THR 28 5.300 -0.310 -9.742 199 3HG2 THR 28 3HG2 THR 28 5.350 -1.725 -10.793 200 H GLN 29 H GLN 29 7.675 2.128 -9.141 201 HA GLN 29 HA GLN 29 9.638 3.133 -10.994 202 1HB GLN 29 1HB GLN 29 7.720 4.512 -9.121 203 2HB GLN 29 2HB GLN 29 8.852 5.389 -10.138 204 1HG GLN 29 1HG GLN 29 7.344 3.463 -11.669 205 2HG GLN 29 2HG GLN 29 6.286 4.574 -10.800 206 1HE2 GLN 29 2HE2 GLN 29 6.554 6.841 -11.156 207 2HE2 GLN 29 1HE2 GLN 29 7.209 7.417 -12.648 208 H ASN 30 H ASN 30 9.399 2.705 -7.562 209 HA ASN 30 HA ASN 30 11.772 4.280 -7.006 210 1HB ASN 30 1HB ASN 30 10.745 2.560 -4.865 211 2HB ASN 30 2HB ASN 30 11.045 4.278 -4.853 212 1HD2 ASN 30 2HD2 ASN 30 8.738 2.651 -3.902 213 2HD2 ASN 30 1HD2 ASN 30 7.372 3.315 -4.662 214 H GLY 31 H GLY 31 11.399 1.358 -8.345 215 1HA GLY 31 1HA GLY 31 13.079 -0.246 -8.725 216 2HA GLY 31 2HA GLY 31 13.975 0.405 -7.356 217 H VAL 32 H VAL 32 11.146 0.291 -6.051 218 HA VAL 32 HA VAL 32 11.479 -1.810 -4.321 219 HB VAL 32 HB VAL 32 8.758 -0.932 -5.208 220 1HG1 VAL 32 1HG1 VAL 32 9.917 -1.911 -2.680 221 2HG1 VAL 32 2HG1 VAL 32 8.613 -0.733 -2.601 222 3HG1 VAL 32 3HG1 VAL 32 8.358 -2.262 -3.431 223 1HG2 VAL 32 1HG2 VAL 32 10.818 0.733 -3.842 224 2HG2 VAL 32 2HG2 VAL 32 9.740 1.155 -5.176 225 3HG2 VAL 32 3HG2 VAL 32 9.096 0.985 -3.541 226 HA PRO 33 HA PRO 33 10.439 -5.532 -6.419 227 1HB PRO 33 1HB PRO 33 8.818 -6.347 -4.075 228 2HB PRO 33 2HB PRO 33 10.302 -7.066 -4.718 229 1HG PRO 33 1HG PRO 33 10.392 -5.670 -2.435 230 2HG PRO 33 2HG PRO 33 11.680 -5.488 -3.643 231 1HD PRO 33 1HD PRO 33 9.260 -3.791 -3.197 232 2HD PRO 33 2HD PRO 33 10.955 -3.297 -3.287 233 H GLY 34 H GLY 34 8.112 -3.273 -5.661 234 1HA GLY 34 1HA GLY 34 5.836 -3.081 -6.096 235 2HA GLY 34 2HA GLY 34 6.445 -3.460 -7.698 236 H ILE 35 H ILE 35 5.400 -5.048 -4.705 237 HA ILE 35 HA ILE 35 5.003 -7.606 -5.374 238 HB ILE 35 HB ILE 35 2.593 -6.235 -4.254 239 1HG1 ILE 35 1HG1 ILE 35 5.286 -6.466 -2.907 240 2HG1 ILE 35 2HG1 ILE 35 4.329 -5.009 -3.159 241 1HG2 ILE 35 1HG2 ILE 35 3.505 -8.873 -4.448 242 2HG2 ILE 35 2HG2 ILE 35 3.657 -8.437 -2.746 243 3HG2 ILE 35 3HG2 ILE 35 2.099 -8.284 -3.561 244 1HD1 ILE 35 1HD1 ILE 35 2.584 -6.093 -1.664 245 2HD1 ILE 35 2HD1 ILE 35 3.844 -7.251 -1.233 246 3HD1 ILE 35 3HD1 ILE 35 4.073 -5.536 -0.898 247 H VAL 36 H VAL 36 4.721 -7.972 -7.570 248 HA VAL 36 HA VAL 36 2.789 -6.798 -9.205 249 HB VAL 36 HB VAL 36 3.040 -9.053 -10.522 250 1HG1 VAL 36 1HG1 VAL 36 5.176 -6.982 -10.094 251 2HG1 VAL 36 2HG1 VAL 36 5.301 -8.235 -11.329 252 3HG1 VAL 36 3HG1 VAL 36 3.977 -7.072 -11.385 253 1HG2 VAL 36 1HG2 VAL 36 4.437 -9.698 -8.184 254 2HG2 VAL 36 2HG2 VAL 36 4.381 -10.616 -9.688 255 3HG2 VAL 36 3HG2 VAL 36 5.670 -9.443 -9.420 256 H ALA 37 H ALA 37 2.641 -10.211 -8.176 257 HA ALA 37 HA ALA 37 0.878 -11.387 -7.258 258 1HB ALA 37 1HB ALA 37 0.090 -8.914 -6.597 259 2HB ALA 37 2HB ALA 37 -1.159 -9.310 -7.777 260 3HB ALA 37 3HB ALA 37 -0.920 -10.341 -6.367 261 H GLU 38 H GLU 38 -1.703 -11.635 -8.153 262 HA GLU 38 HA GLU 38 -1.250 -12.615 -10.840 263 1HB GLU 38 1HB GLU 38 -3.760 -12.804 -9.172 264 2HB GLU 38 2HB GLU 38 -3.372 -13.742 -10.606 265 1HG GLU 38 1HG GLU 38 -1.409 -14.668 -9.330 266 2HG GLU 38 2HG GLU 38 -2.092 -13.904 -7.895 267 H CYS 39 H CYS 39 -3.784 -10.620 -9.303 268 HA CYS 39 HA CYS 39 -4.964 -9.776 -11.697 269 1HB CYS 39 1HB CYS 39 -6.382 -8.606 -10.370 270 2HB CYS 39 2HB CYS 39 -5.619 -9.538 -9.090 271 H GLY 40 H GLY 40 -2.295 -8.457 -9.835 272 1HA GLY 40 1HA GLY 40 -1.045 -6.513 -10.175 273 2HA GLY 40 2HA GLY 40 -0.764 -7.352 -11.691 274 H GLY 41 H GLY 41 -3.315 -5.318 -10.224 275 1HA GLY 41 1HA GLY 41 -3.939 -3.185 -11.051 276 2HA GLY 41 2HA GLY 41 -3.161 -3.576 -12.575 277 H SER 42 H SER 42 -5.325 -5.822 -11.030 278 HA SER 42 HA SER 42 -7.477 -5.079 -12.878 279 1HB SER 42 1HB SER 42 -6.082 -7.723 -12.674 280 2HB SER 42 2HB SER 42 -7.798 -7.682 -13.085 281 HG SER 42 HG SER 42 -6.995 -7.420 -15.027 282 H CYS 43 H CYS 43 -6.667 -5.348 -9.798 283 HA CYS 43 HA CYS 43 -7.697 -5.912 -7.830 284 1HB CYS 43 1HB CYS 43 -8.991 -3.937 -8.748 285 2HB CYS 43 2HB CYS 43 -10.198 -5.090 -9.307 286 HG CYS 43 HG CYS 43 -9.592 -5.109 -6.287 287 H VAL 44 H VAL 44 -7.213 -8.222 -8.453 288 HA VAL 44 HA VAL 44 -9.665 -9.769 -8.182 289 HB VAL 44 HB VAL 44 -7.638 -10.513 -10.291 290 1HG1 VAL 44 1HG1 VAL 44 -9.942 -11.826 -9.087 291 2HG1 VAL 44 2HG1 VAL 44 -10.022 -11.765 -10.848 292 3HG1 VAL 44 3HG1 VAL 44 -8.629 -12.499 -10.054 293 1HG2 VAL 44 1HG2 VAL 44 -10.093 -8.843 -10.448 294 2HG2 VAL 44 2HG2 VAL 44 -8.579 -8.716 -11.341 295 3HG2 VAL 44 3HG2 VAL 44 -9.754 -9.958 -11.772 296 H CYS 45 H CYS 45 -6.923 -9.051 -6.834 297 HA CYS 45 HA CYS 45 -6.506 -11.754 -5.797 298 1HB CYS 45 1HB CYS 45 -4.247 -11.845 -6.199 299 2HB CYS 45 2HB CYS 45 -4.762 -10.929 -7.609 300 H ALA 46 H ALA 46 -4.776 -11.504 -3.885 301 HA ALA 46 HA ALA 46 -5.291 -9.062 -2.367 302 1HB ALA 46 1HB ALA 46 -7.107 -10.596 -1.764 303 2HB ALA 46 2HB ALA 46 -5.917 -11.805 -1.278 304 3HB ALA 46 3HB ALA 46 -6.036 -10.281 -0.398 305 H THR 47 H THR 47 -2.970 -10.462 -3.651 306 HA THR 47 HA THR 47 -1.322 -11.168 -1.353 307 HB THR 47 HB THR 47 0.180 -12.128 -2.841 308 HG1 THR 47 HG1 THR 47 0.358 -11.501 -4.999 309 1HG2 THR 47 1HG2 THR 47 -2.525 -12.665 -3.352 310 2HG2 THR 47 2HG2 THR 47 -1.719 -12.583 -4.918 311 3HG2 THR 47 3HG2 THR 47 -1.128 -13.690 -3.679 312 H CYS 48 H CYS 48 -2.156 -8.393 -2.974 313 HA CYS 48 HA CYS 48 0.444 -7.105 -2.782 314 1HB CYS 48 1HB CYS 48 -0.649 -5.172 -3.771 315 2HB CYS 48 2HB CYS 48 -1.045 -6.617 -4.694 316 H ARG 49 H ARG 49 -1.172 -8.074 -0.421 317 HA ARG 49 HA ARG 49 -2.310 -6.047 1.050 318 1HB ARG 49 1HB ARG 49 -0.539 -8.234 2.152 319 2HB ARG 49 2HB ARG 49 -1.764 -7.337 3.038 320 1HG ARG 49 1HG ARG 49 -3.184 -8.364 0.931 321 2HG ARG 49 2HG ARG 49 -2.033 -9.651 1.295 322 1HD ARG 49 1HD ARG 49 -4.170 -8.470 3.017 323 2HD ARG 49 2HD ARG 49 -3.806 -10.164 2.691 324 HE ARG 49 HE ARG 49 -2.531 -8.444 4.657 325 1HH1 ARG 49 1HH1 ARG 49 -2.525 -11.492 2.962 326 2HH1 ARG 49 2HH1 ARG 49 -1.519 -12.283 4.130 327 1HH2 ARG 49 1HH2 ARG 49 -1.208 -9.479 6.193 328 2HH2 ARG 49 2HH2 ARG 49 -0.771 -11.139 5.965 329 H ILE 50 H ILE 50 -1.136 -4.125 0.531 330 HA ILE 50 HA ILE 50 1.593 -3.855 1.442 331 HB ILE 50 HB ILE 50 0.580 -2.653 -0.573 332 1HG1 ILE 50 1HG1 ILE 50 1.934 -0.604 -0.141 333 2HG1 ILE 50 2HG1 ILE 50 2.077 -1.093 1.544 334 1HG2 ILE 50 1HG2 ILE 50 -1.448 -1.887 0.643 335 2HG2 ILE 50 2HG2 ILE 50 -0.429 -0.770 1.552 336 3HG2 ILE 50 3HG2 ILE 50 -0.590 -0.595 -0.196 337 1HD1 ILE 50 1HD1 ILE 50 3.090 -2.658 -0.818 338 2HD1 ILE 50 2HD1 ILE 50 4.068 -1.649 0.247 339 3HD1 ILE 50 3HD1 ILE 50 3.277 -3.092 0.881 340 H GLU 51 H GLU 51 2.273 -2.322 3.056 341 HA GLU 51 HA GLU 51 0.190 -1.783 5.066 342 1HB GLU 51 1HB GLU 51 2.771 -3.165 5.311 343 2HB GLU 51 2HB GLU 51 2.477 -1.951 6.548 344 1HG GLU 51 1HG GLU 51 0.103 -3.455 6.262 345 2HG GLU 51 2HG GLU 51 1.450 -4.592 6.359 346 H ILE 52 H ILE 52 -0.167 0.320 5.120 347 HA ILE 52 HA ILE 52 1.726 2.318 4.359 348 HB ILE 52 HB ILE 52 -0.837 2.519 5.953 349 1HG1 ILE 52 1HG1 ILE 52 -0.888 1.663 3.528 350 2HG1 ILE 52 2HG1 ILE 52 -1.962 2.986 3.963 351 1HG2 ILE 52 1HG2 ILE 52 1.019 4.401 6.018 352 2HG2 ILE 52 2HG2 ILE 52 0.265 4.853 4.491 353 3HG2 ILE 52 3HG2 ILE 52 -0.700 4.783 5.963 354 1HD1 ILE 52 1HD1 ILE 52 0.718 3.546 2.800 355 2HD1 ILE 52 2HD1 ILE 52 -0.646 3.104 1.769 356 3HD1 ILE 52 3HD1 ILE 52 -0.744 4.539 2.792 357 H GLU 53 H GLU 53 3.077 3.629 5.746 358 HA GLU 53 HA GLU 53 3.819 2.358 8.145 359 1HB GLU 53 1HB GLU 53 5.402 3.949 8.328 360 2HB GLU 53 2HB GLU 53 4.810 4.519 6.778 361 1HG GLU 53 1HG GLU 53 4.663 6.475 7.859 362 2HG GLU 53 2HG GLU 53 3.146 5.806 8.421 363 H ASP 54 H ASP 54 3.407 3.182 10.447 364 HA ASP 54 HA ASP 54 0.573 3.417 10.792 365 1HB ASP 54 1HB ASP 54 2.688 2.473 12.330 366 2HB ASP 54 2HB ASP 54 2.106 3.878 13.219 367 H ALA 55 H ALA 55 2.096 5.767 9.658 368 HA ALA 55 HA ALA 55 1.149 7.809 11.532 369 1HB ALA 55 1HB ALA 55 3.640 7.686 10.812 370 2HB ALA 55 2HB ALA 55 3.056 8.366 9.292 371 3HB ALA 55 3HB ALA 55 2.821 9.248 10.802 372 H TRP 56 H TRP 56 1.014 6.484 8.354 373 HA TRP 56 HA TRP 56 -0.668 8.678 7.413 374 1HB TRP 56 1HB TRP 56 0.711 6.503 5.885 375 2HB TRP 56 2HB TRP 56 -0.136 7.884 5.198 376 HD1 TRP 56 HD1 TRP 56 2.729 7.239 7.649 377 HE1 TRP 56 HE1 TRP 56 4.438 9.112 7.434 378 HE3 TRP 56 HE3 TRP 56 0.334 10.005 4.078 379 HZ2 TRP 56 HZ2 TRP 56 4.782 11.423 5.898 380 HZ3 TRP 56 HZ3 TRP 56 1.494 12.028 3.258 381 HH2 TRP 56 HH2 TRP 56 3.648 12.704 4.150 382 H VAL 57 H VAL 57 -1.310 5.893 8.869 383 HA VAL 57 HA VAL 57 -3.149 4.732 7.041 384 HB VAL 57 HB VAL 57 -3.160 4.583 10.051 385 1HG1 VAL 57 1HG1 VAL 57 -5.188 3.918 8.774 386 2HG1 VAL 57 2HG1 VAL 57 -4.214 2.670 7.995 387 3HG1 VAL 57 3HG1 VAL 57 -4.467 2.623 9.742 388 1HG2 VAL 57 1HG2 VAL 57 -1.037 4.022 8.680 389 2HG2 VAL 57 2HG2 VAL 57 -1.582 2.919 9.949 390 3HG2 VAL 57 3HG2 VAL 57 -1.924 2.556 8.255 391 H GLU 58 H GLU 58 -3.178 7.130 9.541 392 HA GLU 58 HA GLU 58 -6.030 7.572 9.348 393 1HB GLU 58 1HB GLU 58 -3.803 8.669 10.990 394 2HB GLU 58 2HB GLU 58 -5.175 9.731 10.712 395 1HG GLU 58 1HG GLU 58 -5.244 6.999 11.972 396 2HG GLU 58 2HG GLU 58 -5.454 8.548 12.790 397 H ILE 59 H ILE 59 -3.386 8.232 7.513 398 HA ILE 59 HA ILE 59 -4.413 10.805 6.486 399 HB ILE 59 HB ILE 59 -1.769 9.412 6.193 400 1HG1 ILE 59 1HG1 ILE 59 -2.017 12.305 6.652 401 2HG1 ILE 59 2HG1 ILE 59 -2.568 11.271 7.964 402 1HG2 ILE 59 1HG2 ILE 59 -2.422 10.092 3.945 403 2HG2 ILE 59 2HG2 ILE 59 -2.741 11.727 4.527 404 3HG2 ILE 59 3HG2 ILE 59 -1.098 11.091 4.548 405 1HD1 ILE 59 1HD1 ILE 59 -0.037 10.405 6.918 406 2HD1 ILE 59 2HD1 ILE 59 0.016 12.088 7.445 407 3HD1 ILE 59 3HD1 ILE 59 -0.496 10.830 8.567 408 H VAL 60 H VAL 60 -3.584 7.532 5.699 409 HA VAL 60 HA VAL 60 -4.398 7.816 2.934 410 HB VAL 60 HB VAL 60 -3.297 5.433 4.423 411 1HG1 VAL 60 1HG1 VAL 60 -4.560 5.558 1.928 412 2HG1 VAL 60 2HG1 VAL 60 -2.833 5.434 1.591 413 3HG1 VAL 60 3HG1 VAL 60 -3.626 4.221 2.596 414 1HG2 VAL 60 1HG2 VAL 60 -2.013 7.839 3.518 415 2HG2 VAL 60 2HG2 VAL 60 -1.305 6.428 4.304 416 3HG2 VAL 60 3HG2 VAL 60 -1.445 6.474 2.550 417 H GLY 61 H GLY 61 -4.996 5.029 5.047 418 1HA GLY 61 1HA GLY 61 -6.913 3.624 4.805 419 2HA GLY 61 2HA GLY 61 -7.442 4.915 5.871 420 H GLU 62 H GLU 62 -6.891 4.774 2.366 421 HA GLU 62 HA GLU 62 -9.245 6.301 1.833 422 1HB GLU 62 1HB GLU 62 -7.278 4.882 0.058 423 2HB GLU 62 2HB GLU 62 -8.624 5.825 -0.565 424 1HG GLU 62 1HG GLU 62 -6.652 7.026 1.335 425 2HG GLU 62 2HG GLU 62 -6.314 6.933 -0.392 426 H ALA 63 H ALA 63 -8.634 2.971 2.170 427 HA ALA 63 HA ALA 63 -10.322 1.766 0.376 428 1HB ALA 63 1HB ALA 63 -9.648 1.016 3.188 429 2HB ALA 63 2HB ALA 63 -10.850 0.093 2.270 430 3HB ALA 63 3HB ALA 63 -9.190 0.230 1.677 431 H ASN 64 H ASN 64 -12.404 1.310 0.210 432 HA ASN 64 HA ASN 64 -14.277 2.918 1.710 433 1HB ASN 64 1HB ASN 64 -15.746 1.491 -0.125 434 2HB ASN 64 2HB ASN 64 -15.080 3.089 -0.419 435 1HD2 ASN 64 2HD2 ASN 64 -15.624 0.552 -2.043 436 2HD2 ASN 64 1HD2 ASN 64 -14.170 0.342 -2.952 437 HA PRO 65 HA PRO 65 -15.948 -0.377 4.103 438 1HB PRO 65 1HB PRO 65 -18.589 -0.500 3.313 439 2HB PRO 65 2HB PRO 65 -17.940 0.680 4.455 440 1HG PRO 65 1HG PRO 65 -18.533 0.984 1.544 441 2HG PRO 65 2HG PRO 65 -18.763 2.145 2.864 442 1HD PRO 65 1HD PRO 65 -16.683 2.318 1.140 443 2HD PRO 65 2HD PRO 65 -16.542 2.800 2.836 444 H ASP 66 H ASP 66 -15.495 -0.725 0.846 445 HA ASP 66 HA ASP 66 -16.778 -3.325 0.599 446 1HB ASP 66 1HB ASP 66 -15.193 -1.686 -1.390 447 2HB ASP 66 2HB ASP 66 -15.971 -3.225 -1.746 448 H GLU 67 H GLU 67 -13.556 -2.059 -0.214 449 HA GLU 67 HA GLU 67 -12.156 -4.377 -0.407 450 1HB GLU 67 1HB GLU 67 -11.091 -2.276 -0.862 451 2HB GLU 67 2HB GLU 67 -11.277 -1.758 0.808 452 1HG GLU 67 1HG GLU 67 -9.643 -4.156 0.059 453 2HG GLU 67 2HG GLU 67 -8.974 -2.525 0.068 454 H ASN 68 H ASN 68 -12.570 -2.542 2.622 455 HA ASN 68 HA ASN 68 -11.275 -4.325 4.317 456 1HB ASN 68 1HB ASN 68 -12.225 -1.951 4.774 457 2HB ASN 68 2HB ASN 68 -13.708 -2.799 5.201 458 1HD2 ASN 68 2HD2 ASN 68 -13.199 -4.789 6.674 459 2HD2 ASN 68 1HD2 ASN 68 -12.197 -4.428 8.036 460 H ASP 69 H ASP 69 -14.577 -4.336 3.102 461 HA ASP 69 HA ASP 69 -15.387 -6.539 4.779 462 1HB ASP 69 1HB ASP 69 -16.722 -4.573 3.318 463 2HB ASP 69 2HB ASP 69 -17.080 -6.071 2.463 464 H LEU 70 H LEU 70 -14.587 -6.071 1.358 465 HA LEU 70 HA LEU 70 -15.147 -8.580 0.367 466 1HB LEU 70 1HB LEU 70 -14.520 -7.173 -1.307 467 2HB LEU 70 2HB LEU 70 -13.269 -6.410 -0.347 468 HG LEU 70 HG LEU 70 -11.900 -8.523 -0.678 469 1HD1 LEU 70 1HD1 LEU 70 -14.252 -9.511 -1.711 470 2HD1 LEU 70 2HD1 LEU 70 -13.286 -9.174 -3.148 471 3HD1 LEU 70 3HD1 LEU 70 -12.654 -10.235 -1.889 472 1HD2 LEU 70 1HD2 LEU 70 -12.502 -6.381 -2.571 473 2HD2 LEU 70 2HD2 LEU 70 -10.949 -6.978 -1.989 474 3HD2 LEU 70 3HD2 LEU 70 -11.771 -7.803 -3.313 475 H LEU 71 H LEU 71 -12.089 -7.476 1.819 476 HA LEU 71 HA LEU 71 -10.817 -10.006 1.654 477 1HB LEU 71 1HB LEU 71 -10.009 -7.456 2.232 478 2HB LEU 71 2HB LEU 71 -9.927 -8.219 3.807 479 HG LEU 71 HG LEU 71 -8.586 -10.073 2.533 480 1HD1 LEU 71 1HD1 LEU 71 -8.392 -7.702 0.695 481 2HD1 LEU 71 2HD1 LEU 71 -7.186 -8.989 0.738 482 3HD1 LEU 71 3HD1 LEU 71 -8.853 -9.357 0.296 483 1HD2 LEU 71 1HD2 LEU 71 -7.442 -7.361 3.189 484 2HD2 LEU 71 2HD2 LEU 71 -7.672 -8.703 4.311 485 3HD2 LEU 71 3HD2 LEU 71 -6.508 -8.844 2.994 486 H GLN 72 H GLN 72 -12.501 -8.319 4.281 487 HA GLN 72 HA GLN 72 -12.046 -10.117 6.337 488 1HB GLN 72 1HB GLN 72 -14.078 -8.065 5.736 489 2HB GLN 72 2HB GLN 72 -14.579 -9.297 6.886 490 1HG GLN 72 1HG GLN 72 -11.940 -8.367 7.517 491 2HG GLN 72 2HG GLN 72 -13.053 -7.009 7.379 492 1HE2 GLN 72 2HE2 GLN 72 -13.323 -10.332 8.599 493 2HE2 GLN 72 1HE2 GLN 72 -13.961 -9.893 10.144 494 H SER 73 H SER 73 -14.362 -10.276 3.700 495 HA SER 73 HA SER 73 -15.983 -12.345 4.667 496 1HB SER 73 1HB SER 73 -15.732 -10.876 2.263 497 2HB SER 73 2HB SER 73 -15.654 -12.581 1.819 498 HG SER 73 HG SER 73 -17.799 -11.204 2.365 499 H THR 74 H THR 74 -12.750 -12.374 3.524 500 HA THR 74 HA THR 74 -12.658 -15.103 2.687 501 HB THR 74 HB THR 74 -10.291 -14.805 2.515 502 HG1 THR 74 HG1 THR 74 -10.707 -12.624 4.259 503 1HG2 THR 74 1HG2 THR 74 -11.781 -12.301 1.814 504 2HG2 THR 74 2HG2 THR 74 -10.075 -12.532 1.430 505 3HG2 THR 74 3HG2 THR 74 -11.286 -13.622 0.754 506 H GLY 75 H GLY 75 -12.430 -13.475 5.734 507 1HA GLY 75 1HA GLY 75 -12.817 -14.736 7.752 508 2HA GLY 75 2HA GLY 75 -11.956 -16.082 7.023 509 H GLU 76 H GLU 76 -9.929 -14.020 6.025 510 HA GLU 76 HA GLU 76 -8.439 -13.832 8.559 511 1HB GLU 76 1HB GLU 76 -7.237 -13.876 5.792 512 2HB GLU 76 2HB GLU 76 -6.411 -14.093 7.329 513 1HG GLU 76 1HG GLU 76 -6.913 -16.270 7.438 514 2HG GLU 76 2HG GLU 76 -8.546 -16.029 6.820 515 HA PRO 77 HA PRO 77 -9.434 -9.448 7.579 516 1HB PRO 77 1HB PRO 77 -8.420 -9.283 10.371 517 2HB PRO 77 2HB PRO 77 -9.863 -8.560 9.653 518 1HG PRO 77 1HG PRO 77 -10.056 -10.673 11.264 519 2HG PRO 77 2HG PRO 77 -11.095 -10.515 9.837 520 1HD PRO 77 1HD PRO 77 -8.690 -12.236 10.253 521 2HD PRO 77 2HD PRO 77 -10.187 -12.583 9.361 522 H MET 78 H MET 78 -7.967 -7.454 8.409 523 HA MET 78 HA MET 78 -5.237 -8.130 7.552 524 1HB MET 78 1HB MET 78 -6.351 -5.344 7.581 525 2HB MET 78 2HB MET 78 -5.052 -6.004 6.596 526 1HG MET 78 1HG MET 78 -6.452 -6.575 4.973 527 2HG MET 78 2HG MET 78 -7.562 -7.350 6.101 528 1HE MET 78 1HE MET 78 -8.222 -5.123 8.062 529 2HE MET 78 2HE MET 78 -9.547 -4.173 7.393 530 3HE MET 78 3HE MET 78 -9.624 -5.935 7.365 531 H THR 79 H THR 79 -3.898 -5.877 8.338 532 HA THR 79 HA THR 79 -3.993 -6.095 11.274 533 HB THR 79 HB THR 79 -1.622 -5.593 11.286 534 HG1 THR 79 HG1 THR 79 -0.513 -5.258 9.345 535 1HG2 THR 79 1HG2 THR 79 -2.406 -7.740 9.351 536 2HG2 THR 79 2HG2 THR 79 -0.725 -7.439 9.788 537 3HG2 THR 79 3HG2 THR 79 -1.891 -7.898 11.029 538 H ALA 80 H ALA 80 -2.389 -3.951 11.935 539 HA ALA 80 HA ALA 80 -4.239 -1.768 11.573 540 1HB ALA 80 1HB ALA 80 -1.863 -2.273 13.278 541 2HB ALA 80 2HB ALA 80 -2.332 -0.600 12.970 542 3HB ALA 80 3HB ALA 80 -3.477 -1.715 13.718 543 H GLY 81 H GLY 81 -4.152 -0.382 9.955 544 1HA GLY 81 1HA GLY 81 -3.186 1.243 8.596 545 2HA GLY 81 2HA GLY 81 -1.596 0.658 9.040 546 H THR 82 H THR 82 -3.562 -1.907 8.169 547 HA THR 82 HA THR 82 -2.068 -2.370 5.777 548 HB THR 82 HB THR 82 -4.482 -3.998 6.196 549 HG1 THR 82 HG1 THR 82 -2.443 -4.250 8.118 550 1HG2 THR 82 1HG2 THR 82 -2.455 -4.561 4.762 551 2HG2 THR 82 2HG2 THR 82 -1.632 -4.909 6.283 552 3HG2 THR 82 3HG2 THR 82 -3.073 -5.819 5.832 553 H ARG 83 H ARG 83 -2.800 -2.436 3.653 554 HA ARG 83 HA ARG 83 -5.488 -1.728 2.950 555 1HB ARG 83 1HB ARG 83 -3.562 0.371 3.304 556 2HB ARG 83 2HB ARG 83 -3.996 0.265 1.603 557 1HG ARG 83 1HG ARG 83 -5.824 0.726 3.943 558 2HG ARG 83 2HG ARG 83 -5.465 1.826 2.611 559 1HD ARG 83 1HD ARG 83 -6.445 -0.679 1.602 560 2HD ARG 83 2HD ARG 83 -7.567 -0.022 2.791 561 HE ARG 83 HE ARG 83 -7.229 2.117 1.325 562 1HH1 ARG 83 1HH1 ARG 83 -7.573 -1.181 0.240 563 2HH1 ARG 83 2HH1 ARG 83 -8.268 -0.738 -1.282 564 1HH2 ARG 83 1HH2 ARG 83 -8.143 2.702 -0.668 565 2HH2 ARG 83 2HH2 ARG 83 -8.594 1.471 -1.796 566 H LEU 84 H LEU 84 -5.060 -0.801 0.373 567 HA LEU 84 HA LEU 84 -3.626 -3.064 -0.851 568 1HB LEU 84 1HB LEU 84 -6.291 -1.987 -1.267 569 2HB LEU 84 2HB LEU 84 -5.377 -2.052 -2.761 570 HG LEU 84 HG LEU 84 -4.894 -4.492 -2.187 571 1HD1 LEU 84 1HD1 LEU 84 -7.166 -3.999 -0.268 572 2HD1 LEU 84 2HD1 LEU 84 -6.499 -5.574 -0.696 573 3HD1 LEU 84 3HD1 LEU 84 -5.504 -4.401 0.167 574 1HD2 LEU 84 1HD2 LEU 84 -6.614 -3.542 -3.836 575 2HD2 LEU 84 2HD2 LEU 84 -6.809 -5.213 -3.308 576 3HD2 LEU 84 3HD2 LEU 84 -7.812 -3.943 -2.606 577 H SER 85 H SER 85 -1.734 -2.370 -1.614 578 HA SER 85 HA SER 85 -1.073 0.273 -2.217 579 1HB SER 85 1HB SER 85 0.868 -0.773 -3.483 580 2HB SER 85 2HB SER 85 0.703 -1.253 -1.795 581 HG SER 85 HG SER 85 -0.737 -2.940 -3.220 582 H CYS 86 H CYS 86 -2.663 -2.151 -4.133 583 HA CYS 86 HA CYS 86 -2.355 -0.524 -6.550 584 1HB CYS 86 1HB CYS 86 -2.867 -2.394 -7.806 585 2HB CYS 86 2HB CYS 86 -2.096 -3.137 -6.410 586 H GLN 87 H GLN 87 -4.200 -0.186 -4.046 587 HA GLN 87 HA GLN 87 -6.622 0.376 -5.620 588 1HB GLN 87 1HB GLN 87 -6.735 -1.580 -3.949 589 2HB GLN 87 2HB GLN 87 -6.714 -0.342 -2.702 590 1HG GLN 87 1HG GLN 87 -8.977 -1.218 -3.416 591 2HG GLN 87 2HG GLN 87 -8.778 0.532 -3.380 592 1HE2 GLN 87 2HE2 GLN 87 -9.752 -2.099 -5.201 593 2HE2 GLN 87 1HE2 GLN 87 -9.877 -1.321 -6.739 594 H VAL 88 H VAL 88 -4.299 1.518 -3.315 595 HA VAL 88 HA VAL 88 -5.893 3.919 -2.785 596 HB VAL 88 HB VAL 88 -3.433 2.769 -1.481 597 1HG1 VAL 88 1HG1 VAL 88 -4.435 5.544 -1.505 598 2HG1 VAL 88 2HG1 VAL 88 -3.937 4.890 0.055 599 3HG1 VAL 88 3HG1 VAL 88 -2.798 4.927 -1.291 600 1HG2 VAL 88 1HG2 VAL 88 -6.186 3.448 -0.451 601 2HG2 VAL 88 2HG2 VAL 88 -5.546 1.833 -0.752 602 3HG2 VAL 88 3HG2 VAL 88 -4.856 2.829 0.529 603 H PHE 89 H PHE 89 -5.305 5.896 -3.590 604 HA PHE 89 HA PHE 89 -2.754 6.017 -5.045 605 1HB PHE 89 1HB PHE 89 -5.441 7.011 -5.983 606 2HB PHE 89 2HB PHE 89 -3.912 7.417 -6.764 607 HD1 PHE 89 HD1 PHE 89 -5.602 4.350 -5.472 608 HD2 PHE 89 HD2 PHE 89 -3.401 6.192 -8.617 609 HE1 PHE 89 HE1 PHE 89 -5.690 2.249 -6.753 610 HE2 PHE 89 HE2 PHE 89 -3.491 4.096 -9.918 611 HZ PHE 89 HZ PHE 89 -4.637 2.119 -8.982 612 H ILE 90 H ILE 90 -1.895 8.093 -5.434 613 HA ILE 90 HA ILE 90 -1.806 9.707 -3.145 614 HB ILE 90 HB ILE 90 -0.751 10.176 -5.931 615 1HG1 ILE 90 1HG1 ILE 90 -0.049 8.163 -4.367 616 2HG1 ILE 90 2HG1 ILE 90 1.157 9.060 -5.290 617 1HG2 ILE 90 1HG2 ILE 90 -0.425 11.686 -3.387 618 2HG2 ILE 90 2HG2 ILE 90 0.934 11.544 -4.495 619 3HG2 ILE 90 3HG2 ILE 90 -0.568 12.289 -5.031 620 1HD1 ILE 90 1HD1 ILE 90 1.607 10.460 -3.299 621 2HD1 ILE 90 2HD1 ILE 90 0.449 9.464 -2.400 622 3HD1 ILE 90 3HD1 ILE 90 1.923 8.735 -3.029 623 H ASP 91 H ASP 91 -2.201 11.930 -2.943 624 HA ASP 91 HA ASP 91 -3.589 13.610 -4.638 625 1HB ASP 91 1HB ASP 91 -5.813 13.270 -4.154 626 2HB ASP 91 2HB ASP 91 -5.292 11.663 -3.678 627 HA PRO 92 HA PRO 92 -2.070 16.220 -1.384 628 1HB PRO 92 1HB PRO 92 -4.586 17.747 -1.140 629 2HB PRO 92 2HB PRO 92 -2.996 18.289 -1.687 630 1HG PRO 92 1HG PRO 92 -5.042 18.000 -3.403 631 2HG PRO 92 2HG PRO 92 -3.374 17.625 -3.873 632 1HD PRO 92 1HD PRO 92 -5.574 15.758 -3.062 633 2HD PRO 92 2HD PRO 92 -4.395 15.595 -4.383 634 H SER 93 H SER 93 -3.192 13.828 -0.528 635 HA SER 93 HA SER 93 -3.958 14.470 2.199 636 1HB SER 93 1HB SER 93 -5.980 13.416 2.081 637 2HB SER 93 2HB SER 93 -5.824 13.669 0.332 638 HG SER 93 HG SER 93 -5.102 11.613 0.104 639 H MET 94 H MET 94 -1.728 13.280 0.376 640 HA MET 94 HA MET 94 -0.783 11.354 2.233 641 1HB MET 94 1HB MET 94 -2.023 10.545 -0.353 642 2HB MET 94 2HB MET 94 -0.589 9.689 0.179 643 1HG MET 94 1HG MET 94 -1.792 9.316 2.362 644 2HG MET 94 2HG MET 94 -3.234 9.891 1.546 645 1HE MET 94 1HE MET 94 -4.648 8.863 0.526 646 2HE MET 94 2HE MET 94 -4.505 7.516 -0.605 647 3HE MET 94 3HE MET 94 -4.827 7.207 1.101 648 H ASP 95 H ASP 95 0.321 13.718 1.449 649 HA ASP 95 HA ASP 95 2.257 13.110 -0.587 650 1HB ASP 95 1HB ASP 95 1.432 15.629 0.796 651 2HB ASP 95 2HB ASP 95 2.984 15.569 -0.020 652 H GLY 96 H GLY 96 4.305 12.476 -0.150 653 1HA GLY 96 1HA GLY 96 6.250 12.187 1.079 654 2HA GLY 96 2HA GLY 96 5.560 13.185 2.348 655 H LEU 97 H LEU 97 3.927 10.428 0.967 656 HA LEU 97 HA LEU 97 3.312 9.284 3.443 657 1HB LEU 97 1HB LEU 97 3.395 7.827 0.821 658 2HB LEU 97 2HB LEU 97 2.482 7.385 2.246 659 HG LEU 97 HG LEU 97 1.885 10.034 1.152 660 1HD1 LEU 97 1HD1 LEU 97 2.012 7.724 -0.551 661 2HD1 LEU 97 2HD1 LEU 97 0.342 8.265 -0.393 662 3HD1 LEU 97 3HD1 LEU 97 1.586 9.381 -0.954 663 1HD2 LEU 97 1HD2 LEU 97 0.761 8.245 2.934 664 2HD2 LEU 97 2HD2 LEU 97 -0.005 9.686 2.275 665 3HD2 LEU 97 3HD2 LEU 97 -0.261 8.123 1.507 666 H ILE 98 H ILE 98 3.684 7.116 4.062 667 HA ILE 98 HA ILE 98 6.349 6.116 3.460 668 HB ILE 98 HB ILE 98 5.224 6.220 6.232 669 1HG1 ILE 98 1HG1 ILE 98 7.083 7.770 6.714 670 2HG1 ILE 98 2HG1 ILE 98 7.521 7.744 5.005 671 1HG2 ILE 98 1HG2 ILE 98 6.954 4.381 5.201 672 2HG2 ILE 98 2HG2 ILE 98 8.046 5.577 5.901 673 3HG2 ILE 98 3HG2 ILE 98 6.818 4.808 6.907 674 1HD1 ILE 98 1HD1 ILE 98 4.742 8.352 5.347 675 2HD1 ILE 98 2HD1 ILE 98 5.755 9.475 6.258 676 3HD1 ILE 98 3HD1 ILE 98 6.006 9.270 4.530 677 H VAL 99 H VAL 99 6.019 4.228 2.520 678 HA VAL 99 HA VAL 99 3.832 2.570 3.459 679 HB VAL 99 HB VAL 99 5.105 1.764 0.993 680 1HG1 VAL 99 1HG1 VAL 99 2.497 1.874 2.306 681 2HG1 VAL 99 2HG1 VAL 99 2.462 2.054 0.545 682 3HG1 VAL 99 3HG1 VAL 99 3.204 0.627 1.270 683 1HG2 VAL 99 1HG2 VAL 99 5.268 4.196 0.721 684 2HG2 VAL 99 2HG2 VAL 99 4.055 3.512 -0.363 685 3HG2 VAL 99 3HG2 VAL 99 3.553 4.349 1.107 686 H ARG 100 H ARG 100 4.074 0.282 3.630 687 HA ARG 100 HA ARG 100 6.816 -0.727 3.751 688 1HB ARG 100 1HB ARG 100 4.844 -1.117 6.006 689 2HB ARG 100 2HB ARG 100 6.489 -1.733 5.935 690 1HG ARG 100 1HG ARG 100 7.423 0.363 6.288 691 2HG ARG 100 2HG ARG 100 5.948 1.209 5.810 692 1HD ARG 100 1HD ARG 100 5.850 1.431 8.092 693 2HD ARG 100 2HD ARG 100 4.934 -0.058 7.865 694 HE ARG 100 HE ARG 100 7.789 -0.302 8.406 695 1HH1 ARG 100 1HH1 ARG 100 4.512 -0.510 9.589 696 2HH1 ARG 100 2HH1 ARG 100 4.938 -1.473 10.961 697 1HH2 ARG 100 1HH2 ARG 100 8.350 -1.567 10.216 698 2HH2 ARG 100 2HH2 ARG 100 7.114 -2.073 11.320 699 H VAL 101 H VAL 101 6.848 -3.136 4.085 700 HA VAL 101 HA VAL 101 4.504 -4.392 2.814 701 HB VAL 101 HB VAL 101 7.406 -5.098 2.356 702 1HG1 VAL 101 1HG1 VAL 101 4.889 -6.283 1.190 703 2HG1 VAL 101 2HG1 VAL 101 6.534 -6.679 0.692 704 3HG1 VAL 101 3HG1 VAL 101 5.990 -7.071 2.323 705 1HG2 VAL 101 1HG2 VAL 101 6.286 -2.987 1.277 706 2HG2 VAL 101 2HG2 VAL 101 7.304 -4.055 0.312 707 3HG2 VAL 101 3HG2 VAL 101 5.548 -4.183 0.212 708 HA PRO 102 HA PRO 102 4.804 -6.813 6.576 709 1HB PRO 102 1HB PRO 102 2.460 -8.102 6.310 710 2HB PRO 102 2HB PRO 102 2.543 -6.399 6.780 711 1HG PRO 102 1HG PRO 102 1.965 -7.601 4.102 712 2HG PRO 102 2HG PRO 102 1.169 -6.238 4.910 713 1HD PRO 102 1HD PRO 102 3.074 -5.939 2.970 714 2HD PRO 102 2HD PRO 102 2.785 -4.746 4.252 715 H LEU 103 H LEU 103 4.284 -9.232 7.035 716 HA LEU 103 HA LEU 103 5.766 -10.781 5.053 717 1HB LEU 103 1HB LEU 103 4.925 -12.040 7.590 718 2HB LEU 103 2HB LEU 103 6.461 -12.122 6.751 719 HG LEU 103 HG LEU 103 5.491 -9.892 8.535 720 1HD1 LEU 103 1HD1 LEU 103 7.569 -12.038 8.775 721 2HD1 LEU 103 2HD1 LEU 103 7.683 -10.544 9.704 722 3HD1 LEU 103 3HD1 LEU 103 6.287 -11.603 9.905 723 1HD2 LEU 103 1HD2 LEU 103 7.725 -10.024 6.571 724 2HD2 LEU 103 2HD2 LEU 103 6.676 -8.673 6.998 725 3HD2 LEU 103 3HD2 LEU 103 7.974 -9.160 8.087 726 HA PRO 104 HA PRO 104 1.991 -12.752 3.802 727 1HB PRO 104 1HB PRO 104 3.020 -14.314 1.888 728 2HB PRO 104 2HB PRO 104 2.951 -12.558 1.703 729 1HG PRO 104 1HG PRO 104 5.268 -14.302 2.392 730 2HG PRO 104 2HG PRO 104 5.218 -12.842 1.391 731 1HD PRO 104 1HD PRO 104 6.029 -12.960 4.056 732 2HD PRO 104 2HD PRO 104 5.566 -11.488 3.183 733 H ALA 105 H ALA 105 1.374 -15.123 3.236 734 HA ALA 105 HA ALA 105 1.734 -16.673 5.586 735 1HB ALA 105 1HB ALA 105 0.104 -16.795 3.187 736 2HB ALA 105 2HB ALA 105 0.650 -18.388 3.711 737 3HB ALA 105 3HB ALA 105 -0.247 -17.353 4.823 Start of MODEL 6 1 2H PRO 1 2H PRO 1 4.172 15.070 -4.933 2 1H PRO 1 1H PRO 1 4.922 13.624 -5.183 3 HA PRO 1 HA PRO 1 4.680 15.056 -2.924 4 1HB PRO 1 1HB PRO 1 3.703 12.326 -2.338 5 2HB PRO 1 2HB PRO 1 3.339 13.842 -1.543 6 1HG PRO 1 1HG PRO 1 1.544 12.806 -3.083 7 2HG PRO 1 2HG PRO 1 1.889 14.541 -3.216 8 1HD PRO 1 1HD PRO 1 2.957 12.294 -4.915 9 2HD PRO 1 2HD PRO 1 2.150 13.769 -5.445 10 H ARG 2 H ARG 2 5.389 13.228 -1.122 11 HA ARG 2 HA ARG 2 7.853 11.986 -2.233 12 1HB ARG 2 1HB ARG 2 8.631 13.717 -0.829 13 2HB ARG 2 2HB ARG 2 7.347 13.466 0.343 14 1HG ARG 2 1HG ARG 2 9.176 12.631 1.448 15 2HG ARG 2 2HG ARG 2 8.504 11.170 0.728 16 1HD ARG 2 1HD ARG 2 10.252 10.904 -0.677 17 2HD ARG 2 2HD ARG 2 10.436 12.637 -0.940 18 HE ARG 2 HE ARG 2 11.259 12.170 1.650 19 1HH1 ARG 2 1HH1 ARG 2 12.183 11.119 -1.537 20 2HH1 ARG 2 2HH1 ARG 2 13.852 10.908 -1.128 21 1HH2 ARG 2 1HH2 ARG 2 13.458 11.892 2.204 22 2HH2 ARG 2 2HH2 ARG 2 14.576 11.348 1.000 23 H VAL 3 H VAL 3 8.502 9.886 -0.989 24 HA VAL 3 HA VAL 3 6.391 8.849 0.645 25 HB VAL 3 HB VAL 3 6.498 8.288 -2.223 26 1HG1 VAL 3 1HG1 VAL 3 7.240 6.113 -0.946 27 2HG1 VAL 3 2HG1 VAL 3 5.516 6.033 -0.601 28 3HG1 VAL 3 3HG1 VAL 3 6.080 6.098 -2.277 29 1HG2 VAL 3 1HG2 VAL 3 4.567 8.423 -0.018 30 2HG2 VAL 3 2HG2 VAL 3 4.536 9.178 -1.620 31 3HG2 VAL 3 3HG2 VAL 3 4.164 7.460 -1.446 32 H VAL 4 H VAL 4 6.741 6.610 1.283 33 HA VAL 4 HA VAL 4 9.432 5.644 0.922 34 HB VAL 4 HB VAL 4 8.531 6.719 3.561 35 1HG1 VAL 4 1HG1 VAL 4 9.994 4.223 3.082 36 2HG1 VAL 4 2HG1 VAL 4 10.821 5.347 4.164 37 3HG1 VAL 4 3HG1 VAL 4 9.187 4.798 4.544 38 1HG2 VAL 4 1HG2 VAL 4 10.751 7.058 1.652 39 2HG2 VAL 4 2HG2 VAL 4 9.960 8.245 2.691 40 3HG2 VAL 4 3HG2 VAL 4 11.173 7.154 3.363 41 H PHE 5 H PHE 5 9.140 3.710 0.371 42 HA PHE 5 HA PHE 5 6.935 2.084 1.388 43 1HB PHE 5 1HB PHE 5 9.046 1.737 -0.716 44 2HB PHE 5 2HB PHE 5 8.009 0.413 -0.231 45 HD1 PHE 5 HD1 PHE 5 6.712 3.909 -0.576 46 HD2 PHE 5 HD2 PHE 5 7.155 0.070 -2.370 47 HE1 PHE 5 HE1 PHE 5 5.180 4.544 -2.370 48 HE2 PHE 5 HE2 PHE 5 5.620 0.680 -4.114 49 HZ PHE 5 HZ PHE 5 4.596 2.912 -4.131 50 H ILE 6 H ILE 6 7.659 -0.273 1.811 51 HA ILE 6 HA ILE 6 10.256 -0.685 2.919 52 HB ILE 6 HB ILE 6 7.924 -1.216 4.719 53 1HG1 ILE 6 1HG1 ILE 6 8.181 1.265 4.164 54 2HG1 ILE 6 2HG1 ILE 6 8.256 0.844 5.866 55 1HG2 ILE 6 1HG2 ILE 6 10.824 -1.457 4.753 56 2HG2 ILE 6 2HG2 ILE 6 10.109 -0.846 6.243 57 3HG2 ILE 6 3HG2 ILE 6 9.594 -2.400 5.588 58 1HD1 ILE 6 1HD1 ILE 6 10.709 1.100 4.212 59 2HD1 ILE 6 2HD1 ILE 6 9.928 2.516 4.898 60 3HD1 ILE 6 3HD1 ILE 6 10.533 1.240 5.957 61 H ASP 7 H ASP 7 10.483 -3.011 3.625 62 HA ASP 7 HA ASP 7 8.471 -4.890 2.997 63 1HB ASP 7 1HB ASP 7 9.391 -3.935 0.721 64 2HB ASP 7 2HB ASP 7 10.693 -5.082 1.015 65 H GLU 8 H GLU 8 9.895 -7.115 2.368 66 HA GLU 8 HA GLU 8 11.626 -7.405 4.709 67 1HB GLU 8 1HB GLU 8 9.776 -8.859 4.886 68 2HB GLU 8 2HB GLU 8 9.875 -9.323 3.192 69 1HG GLU 8 1HG GLU 8 11.467 -10.869 3.564 70 2HG GLU 8 2HG GLU 8 12.226 -9.927 4.845 71 H GLN 9 H GLN 9 11.910 -6.947 1.478 72 HA GLN 9 HA GLN 9 14.045 -8.873 1.027 73 1HB GLN 9 1HB GLN 9 12.653 -6.845 -0.703 74 2HB GLN 9 2HB GLN 9 14.152 -7.603 -1.227 75 1HG GLN 9 1HG GLN 9 12.239 -9.556 -0.287 76 2HG GLN 9 2HG GLN 9 11.583 -8.564 -1.589 77 1HE2 GLN 9 2HE2 GLN 9 11.667 -10.851 -2.506 78 2HE2 GLN 9 1HE2 GLN 9 13.086 -11.254 -3.406 79 H SER 10 H SER 10 13.582 -5.409 1.401 80 HA SER 10 HA SER 10 16.493 -5.126 1.757 81 1HB SER 10 1HB SER 10 16.451 -3.753 -0.024 82 2HB SER 10 2HB SER 10 14.689 -3.703 -0.037 83 HG SER 10 HG SER 10 15.236 -1.672 0.463 84 H GLY 11 H GLY 11 13.342 -4.573 2.976 85 1HA GLY 11 1HA GLY 11 12.713 -3.949 5.108 86 2HA GLY 11 2HA GLY 11 14.398 -3.615 5.468 87 H GLU 12 H GLU 12 13.178 -2.175 2.646 88 HA GLU 12 HA GLU 12 11.863 0.068 3.438 89 1HB GLU 12 1HB GLU 12 13.534 0.774 4.928 90 2HB GLU 12 2HB GLU 12 14.824 0.387 3.796 91 1HG GLU 12 1HG GLU 12 14.182 2.220 2.369 92 2HG GLU 12 2HG GLU 12 12.794 2.570 3.396 93 H TYR 13 H TYR 13 11.442 1.449 1.839 94 HA TYR 13 HA TYR 13 12.999 1.354 -0.608 95 1HB TYR 13 1HB TYR 13 10.159 0.428 -0.336 96 2HB TYR 13 2HB TYR 13 10.846 0.911 -1.886 97 HD1 TYR 13 HD1 TYR 13 11.183 -1.463 0.926 98 HD2 TYR 13 HD2 TYR 13 12.228 -0.564 -3.085 99 HE1 TYR 13 HE1 TYR 13 12.140 -3.723 0.679 100 HE2 TYR 13 HE2 TYR 13 13.171 -2.793 -3.366 101 HH TYR 13 HH TYR 13 13.171 -4.961 -2.393 102 H ALA 14 H ALA 14 13.137 3.498 0.759 103 HA ALA 14 HA ALA 14 11.163 5.426 0.819 104 1HB ALA 14 1HB ALA 14 14.116 5.790 0.324 105 2HB ALA 14 2HB ALA 14 12.997 7.091 0.731 106 3HB ALA 14 3HB ALA 14 13.294 5.791 1.885 107 H VAL 15 H VAL 15 10.381 6.963 -0.563 108 HA VAL 15 HA VAL 15 11.399 7.319 -3.201 109 HB VAL 15 HB VAL 15 10.295 5.059 -3.216 110 1HG1 VAL 15 1HG1 VAL 15 7.796 6.724 -2.991 111 2HG1 VAL 15 2HG1 VAL 15 7.833 5.072 -3.648 112 3HG1 VAL 15 3HG1 VAL 15 8.323 5.365 -1.986 113 1HG2 VAL 15 1HG2 VAL 15 10.280 7.162 -5.139 114 2HG2 VAL 15 2HG2 VAL 15 10.464 5.431 -5.391 115 3HG2 VAL 15 3HG2 VAL 15 8.851 6.143 -5.348 116 H ASP 16 H ASP 16 8.885 7.860 -4.337 117 HA ASP 16 HA ASP 16 7.535 9.855 -2.854 118 1HB ASP 16 1HB ASP 16 8.812 10.745 -5.371 119 2HB ASP 16 2HB ASP 16 8.191 11.720 -4.050 120 H ALA 17 H ALA 17 5.840 10.754 -4.182 121 HA ALA 17 HA ALA 17 5.229 9.167 -6.558 122 1HB ALA 17 1HB ALA 17 4.312 8.524 -4.116 123 2HB ALA 17 2HB ALA 17 3.033 9.620 -4.696 124 3HB ALA 17 3HB ALA 17 3.458 8.174 -5.637 125 H GLN 18 H GLN 18 2.850 10.006 -7.211 126 HA GLN 18 HA GLN 18 2.758 12.921 -7.027 127 1HB GLN 18 1HB GLN 18 2.332 11.683 -9.714 128 2HB GLN 18 2HB GLN 18 2.787 13.331 -9.306 129 1HG GLN 18 1HG GLN 18 4.733 11.251 -8.576 130 2HG GLN 18 2HG GLN 18 4.465 11.502 -10.296 131 1HE2 GLN 18 2HE2 GLN 18 6.688 12.209 -10.326 132 2HE2 GLN 18 1HE2 GLN 18 7.072 13.836 -9.888 133 H ASP 19 H ASP 19 0.730 13.728 -7.003 134 HA ASP 19 HA ASP 19 -1.402 12.216 -6.241 135 1HB ASP 19 1HB ASP 19 -1.980 14.541 -7.994 136 2HB ASP 19 2HB ASP 19 -2.760 14.065 -6.508 137 H GLY 20 H GLY 20 -2.078 10.450 -7.155 138 1HA GLY 20 1HA GLY 20 -3.663 9.732 -8.939 139 2HA GLY 20 2HA GLY 20 -2.544 10.483 -10.066 140 H GLN 21 H GLN 21 -0.719 9.103 -7.633 141 HA GLN 21 HA GLN 21 -0.476 6.587 -9.157 142 1HB GLN 21 1HB GLN 21 1.690 8.159 -7.754 143 2HB GLN 21 2HB GLN 21 1.915 6.567 -8.464 144 1HG GLN 21 1HG GLN 21 1.845 7.360 -10.606 145 2HG GLN 21 2HG GLN 21 0.860 8.752 -10.169 146 1HE2 GLN 21 2HE2 GLN 21 3.514 8.100 -8.142 147 2HE2 GLN 21 1HE2 GLN 21 4.554 9.343 -8.718 148 H SER 22 H SER 22 -0.235 4.690 -8.021 149 HA SER 22 HA SER 22 -0.987 4.877 -5.208 150 1HB SER 22 1HB SER 22 -1.183 2.252 -5.654 151 2HB SER 22 2HB SER 22 -2.463 3.362 -6.141 152 HG SER 22 HG SER 22 -1.527 1.758 -7.737 153 H LEU 23 H LEU 23 -0.066 2.780 -3.948 154 HA LEU 23 HA LEU 23 2.791 3.226 -3.867 155 1HB LEU 23 1HB LEU 23 2.442 2.749 -1.722 156 2HB LEU 23 2HB LEU 23 0.800 2.248 -2.068 157 HG LEU 23 HG LEU 23 2.159 0.000 -2.786 158 1HD1 LEU 23 1HD1 LEU 23 3.929 1.548 -1.058 159 2HD1 LEU 23 2HD1 LEU 23 3.633 -0.105 -0.522 160 3HD1 LEU 23 3HD1 LEU 23 4.275 0.194 -2.134 161 1HD2 LEU 23 1HD2 LEU 23 0.494 0.891 -0.648 162 2HD2 LEU 23 2HD2 LEU 23 0.650 -0.725 -1.336 163 3HD2 LEU 23 3HD2 LEU 23 1.706 -0.219 -0.020 164 H MET 24 H MET 24 0.965 1.418 -5.838 165 HA MET 24 HA MET 24 2.687 -0.930 -5.879 166 1HB MET 24 1HB MET 24 0.418 -1.500 -6.208 167 2HB MET 24 2HB MET 24 0.160 -0.171 -7.331 168 1HG MET 24 1HG MET 24 2.170 -2.157 -8.148 169 2HG MET 24 2HG MET 24 0.506 -2.732 -8.073 170 1HE MET 24 1HE MET 24 2.688 -2.448 -10.256 171 2HE MET 24 2HE MET 24 1.997 -1.745 -11.718 172 3HE MET 24 3HE MET 24 2.984 -0.753 -10.643 173 H GLU 25 H GLU 25 1.933 1.945 -7.700 174 HA GLU 25 HA GLU 25 3.708 1.238 -9.855 175 1HB GLU 25 1HB GLU 25 2.479 3.947 -9.378 176 2HB GLU 25 2HB GLU 25 3.047 3.275 -10.901 177 1HG GLU 25 1HG GLU 25 1.233 1.571 -10.734 178 2HG GLU 25 2HG GLU 25 0.619 2.448 -9.334 179 H VAL 26 H VAL 26 3.809 3.460 -7.077 180 HA VAL 26 HA VAL 26 6.168 4.724 -7.802 181 HB VAL 26 HB VAL 26 6.230 3.926 -4.984 182 1HG1 VAL 26 1HG1 VAL 26 7.439 5.732 -6.345 183 2HG1 VAL 26 2HG1 VAL 26 5.962 6.660 -6.124 184 3HG1 VAL 26 3HG1 VAL 26 6.876 6.120 -4.724 185 1HG2 VAL 26 1HG2 VAL 26 3.798 3.982 -5.354 186 2HG2 VAL 26 2HG2 VAL 26 4.425 5.190 -4.231 187 3HG2 VAL 26 3HG2 VAL 26 3.978 5.663 -5.877 188 H ALA 27 H ALA 27 5.715 1.898 -5.800 189 HA ALA 27 HA ALA 27 8.025 0.897 -5.194 190 1HB ALA 27 1HB ALA 27 5.564 -0.266 -5.679 191 2HB ALA 27 2HB ALA 27 6.687 -1.205 -6.662 192 3HB ALA 27 3HB ALA 27 6.956 -1.043 -4.924 193 H THR 28 H THR 28 6.778 -0.231 -8.289 194 HA THR 28 HA THR 28 9.122 -1.220 -9.297 195 HB THR 28 HB THR 28 7.992 -1.562 -11.219 196 HG1 THR 28 HG1 THR 28 6.897 0.092 -12.332 197 1HG2 THR 28 1HG2 THR 28 6.225 -1.800 -9.412 198 2HG2 THR 28 2HG2 THR 28 5.604 -0.251 -9.984 199 3HG2 THR 28 3HG2 THR 28 5.669 -1.635 -11.077 200 H GLN 29 H GLN 29 8.050 2.083 -9.121 201 HA GLN 29 HA GLN 29 10.153 3.083 -10.822 202 1HB GLN 29 1HB GLN 29 8.224 4.506 -8.990 203 2HB GLN 29 2HB GLN 29 9.387 5.326 -10.021 204 1HG GLN 29 1HG GLN 29 7.392 3.408 -11.160 205 2HG GLN 29 2HG GLN 29 6.970 5.089 -10.836 206 1HE2 GLN 29 1HE2 GLN 29 8.756 2.918 -12.840 207 2HE2 GLN 29 2HE2 GLN 29 9.254 4.078 -14.019 208 H ASN 30 H ASN 30 9.651 2.565 -7.423 209 HA ASN 30 HA ASN 30 12.047 4.012 -6.663 210 1HB ASN 30 1HB ASN 30 10.836 2.265 -4.648 211 2HB ASN 30 2HB ASN 30 11.184 3.975 -4.559 212 1HD2 ASN 30 2HD2 ASN 30 8.804 2.358 -3.809 213 2HD2 ASN 30 1HD2 ASN 30 7.489 3.071 -4.605 214 H GLY 31 H GLY 31 11.666 1.213 -8.178 215 1HA GLY 31 1HA GLY 31 13.140 -0.547 -8.507 216 2HA GLY 31 2HA GLY 31 14.155 0.116 -7.230 217 H VAL 32 H VAL 32 10.947 -0.141 -6.299 218 HA VAL 32 HA VAL 32 11.466 -2.054 -4.300 219 HB VAL 32 HB VAL 32 8.776 -1.182 -5.246 220 1HG1 VAL 32 1HG1 VAL 32 8.983 -2.910 -3.434 221 2HG1 VAL 32 2HG1 VAL 32 9.667 -1.623 -2.434 222 3HG1 VAL 32 3HG1 VAL 32 8.018 -1.477 -3.057 223 1HG2 VAL 32 1HG2 VAL 32 10.800 0.380 -3.719 224 2HG2 VAL 32 2HG2 VAL 32 9.837 0.871 -5.113 225 3HG2 VAL 32 3HG2 VAL 32 9.071 0.678 -3.533 226 HA PRO 33 HA PRO 33 10.930 -5.980 -6.189 227 1HB PRO 33 1HB PRO 33 9.479 -7.078 -4.031 228 2HB PRO 33 2HB PRO 33 11.227 -7.112 -4.270 229 1HG PRO 33 1HG PRO 33 9.586 -5.273 -2.591 230 2HG PRO 33 2HG PRO 33 11.232 -5.864 -2.332 231 1HD PRO 33 1HD PRO 33 10.744 -3.383 -3.136 232 2HD PRO 33 2HD PRO 33 12.145 -4.290 -3.723 233 H GLY 34 H GLY 34 8.730 -4.049 -6.884 234 1HA GLY 34 1HA GLY 34 6.390 -4.070 -7.246 235 2HA GLY 34 2HA GLY 34 7.053 -5.182 -8.429 236 H ILE 35 H ILE 35 6.241 -5.317 -4.970 237 HA ILE 35 HA ILE 35 5.679 -7.481 -3.976 238 HB ILE 35 HB ILE 35 3.118 -6.153 -4.851 239 1HG1 ILE 35 1HG1 ILE 35 4.635 -4.451 -3.986 240 2HG1 ILE 35 2HG1 ILE 35 3.350 -4.761 -2.822 241 1HG2 ILE 35 1HG2 ILE 35 3.311 -8.433 -3.526 242 2HG2 ILE 35 2HG2 ILE 35 3.552 -7.341 -2.163 243 3HG2 ILE 35 3HG2 ILE 35 2.080 -7.234 -3.129 244 1HD1 ILE 35 1HD1 ILE 35 6.086 -5.992 -2.657 245 2HD1 ILE 35 2HD1 ILE 35 5.616 -4.504 -1.833 246 3HD1 ILE 35 3HD1 ILE 35 4.814 -6.023 -1.435 247 H VAL 36 H VAL 36 3.301 -6.979 -6.587 248 HA VAL 36 HA VAL 36 3.945 -9.263 -8.063 249 HB VAL 36 HB VAL 36 3.292 -10.706 -6.352 250 1HG1 VAL 36 1HG1 VAL 36 2.084 -8.657 -5.180 251 2HG1 VAL 36 2HG1 VAL 36 0.653 -9.462 -5.822 252 3HG1 VAL 36 3HG1 VAL 36 1.738 -10.328 -4.734 253 1HG2 VAL 36 1HG2 VAL 36 2.234 -11.296 -8.464 254 2HG2 VAL 36 2HG2 VAL 36 1.204 -11.748 -7.106 255 3HG2 VAL 36 3HG2 VAL 36 0.831 -10.308 -8.054 256 H ALA 37 H ALA 37 0.846 -7.906 -6.886 257 HA ALA 37 HA ALA 37 -0.945 -7.048 -8.005 258 1HB ALA 37 1HB ALA 37 1.437 -5.861 -9.248 259 2HB ALA 37 2HB ALA 37 -0.034 -5.769 -10.217 260 3HB ALA 37 3HB ALA 37 -0.005 -5.090 -8.590 261 H GLU 38 H GLU 38 -2.050 -8.845 -8.683 262 HA GLU 38 HA GLU 38 -1.257 -10.237 -11.094 263 1HB GLU 38 1HB GLU 38 -3.205 -10.674 -8.912 264 2HB GLU 38 2HB GLU 38 -3.668 -11.302 -10.488 265 1HG GLU 38 1HG GLU 38 -0.924 -11.945 -9.776 266 2HG GLU 38 2HG GLU 38 -2.103 -12.577 -8.628 267 H CYS 39 H CYS 39 -4.293 -8.680 -10.042 268 HA CYS 39 HA CYS 39 -5.504 -8.616 -12.550 269 1HB CYS 39 1HB CYS 39 -7.083 -7.102 -11.619 270 2HB CYS 39 2HB CYS 39 -6.592 -8.172 -10.309 271 H GLY 40 H GLY 40 -3.046 -6.573 -11.200 272 1HA GLY 40 1HA GLY 40 -1.749 -4.961 -12.211 273 2HA GLY 40 2HA GLY 40 -2.542 -5.354 -13.728 274 H GLY 41 H GLY 41 -3.834 -4.090 -10.658 275 1HA GLY 41 1HA GLY 41 -4.763 -2.018 -10.193 276 2HA GLY 41 2HA GLY 41 -4.285 -1.480 -11.794 277 H SER 42 H SER 42 -5.907 -4.339 -12.171 278 HA SER 42 HA SER 42 -8.206 -3.030 -13.269 279 1HB SER 42 1HB SER 42 -7.221 -5.838 -13.100 280 2HB SER 42 2HB SER 42 -8.941 -5.589 -13.394 281 HG SER 42 HG SER 42 -8.489 -4.994 -15.353 282 H CYS 43 H CYS 43 -7.409 -3.771 -10.156 283 HA CYS 43 HA CYS 43 -8.556 -4.026 -8.206 284 1HB CYS 43 1HB CYS 43 -10.807 -2.712 -9.739 285 2HB CYS 43 2HB CYS 43 -10.611 -2.754 -7.991 286 HG CYS 43 HG CYS 43 -8.964 -0.905 -8.101 287 H VAL 44 H VAL 44 -8.476 -6.396 -9.010 288 HA VAL 44 HA VAL 44 -11.101 -7.510 -8.524 289 HB VAL 44 HB VAL 44 -10.499 -9.143 -10.573 290 1HG1 VAL 44 1HG1 VAL 44 -12.034 -6.554 -10.786 291 2HG1 VAL 44 2HG1 VAL 44 -12.184 -7.929 -11.880 292 3HG1 VAL 44 3HG1 VAL 44 -12.658 -8.093 -10.189 293 1HG2 VAL 44 1HG2 VAL 44 -9.305 -6.478 -11.239 294 2HG2 VAL 44 2HG2 VAL 44 -8.639 -8.091 -11.485 295 3HG2 VAL 44 3HG2 VAL 44 -9.962 -7.520 -12.500 296 H CYS 45 H CYS 45 -8.227 -7.430 -7.470 297 HA CYS 45 HA CYS 45 -8.135 -10.265 -6.803 298 1HB CYS 45 1HB CYS 45 -6.043 -10.727 -7.595 299 2HB CYS 45 2HB CYS 45 -6.525 -9.534 -8.795 300 H ALA 46 H ALA 46 -6.253 -10.600 -5.124 301 HA ALA 46 HA ALA 46 -6.054 -8.276 -3.351 302 1HB ALA 46 1HB ALA 46 -8.006 -9.599 -2.632 303 2HB ALA 46 2HB ALA 46 -6.952 -10.994 -2.405 304 3HB ALA 46 3HB ALA 46 -6.732 -9.550 -1.414 305 H THR 47 H THR 47 -4.295 -10.143 -5.102 306 HA THR 47 HA THR 47 -2.503 -11.363 -3.225 307 HB THR 47 HB THR 47 -2.887 -12.121 -5.612 308 HG1 THR 47 HG1 THR 47 -0.153 -11.669 -5.248 309 1HG2 THR 47 1HG2 THR 47 -1.318 -9.640 -6.150 310 2HG2 THR 47 2HG2 THR 47 -1.168 -11.050 -7.200 311 3HG2 THR 47 3HG2 THR 47 -2.737 -10.274 -6.984 312 H CYS 48 H CYS 48 -3.010 -8.206 -4.182 313 HA CYS 48 HA CYS 48 -0.246 -7.339 -3.945 314 1HB CYS 48 1HB CYS 48 -1.195 -5.077 -4.343 315 2HB CYS 48 2HB CYS 48 -1.618 -6.229 -5.604 316 H ARG 49 H ARG 49 -0.772 -8.534 -1.654 317 HA ARG 49 HA ARG 49 -2.011 -6.929 0.323 318 1HB ARG 49 1HB ARG 49 -1.092 -8.481 1.926 319 2HB ARG 49 2HB ARG 49 -1.718 -9.363 0.543 320 1HG ARG 49 1HG ARG 49 0.226 -10.411 0.409 321 2HG ARG 49 2HG ARG 49 0.968 -8.879 -0.052 322 1HD ARG 49 1HD ARG 49 1.855 -10.262 2.006 323 2HD ARG 49 2HD ARG 49 1.813 -8.501 2.042 324 HE ARG 49 HE ARG 49 0.114 -8.590 3.608 325 1HH1 ARG 49 1HH1 ARG 49 0.812 -11.775 2.386 326 2HH1 ARG 49 2HH1 ARG 49 -0.110 -12.585 3.608 327 1HH2 ARG 49 1HH2 ARG 49 -1.105 -9.644 5.216 328 2HH2 ARG 49 2HH2 ARG 49 -1.202 -11.374 5.218 329 H ILE 50 H ILE 50 -1.115 -4.851 0.123 330 HA ILE 50 HA ILE 50 1.669 -4.597 1.056 331 HB ILE 50 HB ILE 50 0.504 -2.104 0.149 332 1HG1 ILE 50 1HG1 ILE 50 0.804 -3.006 -2.347 333 2HG1 ILE 50 2HG1 ILE 50 0.246 -4.502 -1.604 334 1HG2 ILE 50 1HG2 ILE 50 2.983 -3.299 0.341 335 2HG2 ILE 50 2HG2 ILE 50 2.704 -3.199 -1.397 336 3HG2 ILE 50 3HG2 ILE 50 2.635 -1.743 -0.408 337 1HD1 ILE 50 1HD1 ILE 50 -1.759 -3.353 -0.817 338 2HD1 ILE 50 2HD1 ILE 50 -1.198 -1.863 -1.575 339 3HD1 ILE 50 3HD1 ILE 50 -1.596 -3.264 -2.571 340 H GLU 51 H GLU 51 1.973 -2.491 2.419 341 HA GLU 51 HA GLU 51 -0.389 -1.955 4.050 342 1HB GLU 51 1HB GLU 51 1.977 -3.495 4.917 343 2HB GLU 51 2HB GLU 51 1.392 -2.285 6.049 344 1HG GLU 51 1HG GLU 51 -0.849 -3.312 5.928 345 2HG GLU 51 2HG GLU 51 -0.183 -4.567 4.885 346 H ILE 52 H ILE 52 -0.574 0.131 4.387 347 HA ILE 52 HA ILE 52 1.507 2.028 3.904 348 HB ILE 52 HB ILE 52 -1.146 2.334 5.339 349 1HG1 ILE 52 1HG1 ILE 52 -1.054 1.591 2.849 350 2HG1 ILE 52 2HG1 ILE 52 -2.139 2.896 3.319 351 1HG2 ILE 52 1HG2 ILE 52 1.029 4.163 5.036 352 2HG2 ILE 52 2HG2 ILE 52 -0.375 4.767 4.156 353 3HG2 ILE 52 3HG2 ILE 52 -0.512 4.384 5.869 354 1HD1 ILE 52 1HD1 ILE 52 0.595 3.592 2.426 355 2HD1 ILE 52 2HD1 ILE 52 -0.594 3.095 1.219 356 3HD1 ILE 52 3HD1 ILE 52 -0.917 4.485 2.258 357 H GLU 53 H GLU 53 2.698 3.287 5.542 358 HA GLU 53 HA GLU 53 3.367 1.764 7.835 359 1HB GLU 53 1HB GLU 53 4.551 3.665 8.663 360 2HB GLU 53 2HB GLU 53 4.692 3.706 6.908 361 1HG GLU 53 1HG GLU 53 3.037 5.376 8.704 362 2HG GLU 53 2HG GLU 53 4.202 5.878 7.506 363 H ASP 54 H ASP 54 3.042 3.036 10.189 364 HA ASP 54 HA ASP 54 0.142 2.951 10.494 365 1HB ASP 54 1HB ASP 54 0.686 2.873 12.968 366 2HB ASP 54 2HB ASP 54 1.267 1.510 12.015 367 H ALA 55 H ALA 55 1.651 5.306 9.479 368 HA ALA 55 HA ALA 55 0.716 7.301 11.426 369 1HB ALA 55 1HB ALA 55 3.235 7.046 10.317 370 2HB ALA 55 2HB ALA 55 2.484 8.311 9.342 371 3HB ALA 55 3HB ALA 55 2.587 8.488 11.096 372 H TRP 56 H TRP 56 0.726 6.192 8.154 373 HA TRP 56 HA TRP 56 -0.945 8.419 7.319 374 1HB TRP 56 1HB TRP 56 0.519 6.355 5.723 375 2HB TRP 56 2HB TRP 56 -0.328 7.743 5.071 376 HD1 TRP 56 HD1 TRP 56 2.435 7.116 7.686 377 HE1 TRP 56 HE1 TRP 56 4.162 8.966 7.499 378 HE3 TRP 56 HE3 TRP 56 0.144 9.895 4.027 379 HZ2 TRP 56 HZ2 TRP 56 4.510 11.326 6.040 380 HZ3 TRP 56 HZ3 TRP 56 1.302 11.951 3.296 381 HH2 TRP 56 HH2 TRP 56 3.418 12.644 4.276 382 H VAL 57 H VAL 57 -1.584 5.427 8.464 383 HA VAL 57 HA VAL 57 -3.355 4.486 6.480 384 HB VAL 57 HB VAL 57 -3.516 4.043 9.454 385 1HG1 VAL 57 1HG1 VAL 57 -4.672 2.687 7.050 386 2HG1 VAL 57 2HG1 VAL 57 -4.614 1.924 8.643 387 3HG1 VAL 57 3HG1 VAL 57 -5.527 3.419 8.404 388 1HG2 VAL 57 1HG2 VAL 57 -1.350 3.606 8.125 389 2HG2 VAL 57 2HG2 VAL 57 -1.952 2.374 9.241 390 3HG2 VAL 57 3HG2 VAL 57 -2.224 2.209 7.504 391 H GLU 58 H GLU 58 -3.550 6.635 9.202 392 HA GLU 58 HA GLU 58 -6.381 7.089 8.883 393 1HB GLU 58 1HB GLU 58 -4.538 8.852 10.483 394 2HB GLU 58 2HB GLU 58 -6.239 8.502 10.766 395 1HG GLU 58 1HG GLU 58 -4.027 6.487 11.076 396 2HG GLU 58 2HG GLU 58 -4.683 7.455 12.395 397 H ILE 59 H ILE 59 -3.689 7.891 7.225 398 HA ILE 59 HA ILE 59 -4.620 10.567 6.408 399 HB ILE 59 HB ILE 59 -2.016 9.120 6.084 400 1HG1 ILE 59 1HG1 ILE 59 -2.239 11.998 6.691 401 2HG1 ILE 59 2HG1 ILE 59 -2.807 10.888 7.933 402 1HG2 ILE 59 1HG2 ILE 59 -3.211 11.009 4.195 403 2HG2 ILE 59 2HG2 ILE 59 -1.585 11.438 4.727 404 3HG2 ILE 59 3HG2 ILE 59 -1.882 9.870 3.976 405 1HD1 ILE 59 1HD1 ILE 59 -0.257 10.087 6.874 406 2HD1 ILE 59 2HD1 ILE 59 -0.217 11.737 7.496 407 3HD1 ILE 59 3HD1 ILE 59 -0.743 10.418 8.538 408 H VAL 60 H VAL 60 -3.807 7.365 5.298 409 HA VAL 60 HA VAL 60 -4.650 7.948 2.582 410 HB VAL 60 HB VAL 60 -3.632 5.344 3.719 411 1HG1 VAL 60 1HG1 VAL 60 -4.643 6.095 1.169 412 2HG1 VAL 60 2HG1 VAL 60 -2.921 5.749 1.010 413 3HG1 VAL 60 3HG1 VAL 60 -4.006 4.535 1.689 414 1HG2 VAL 60 1HG2 VAL 60 -2.219 7.826 3.355 415 2HG2 VAL 60 2HG2 VAL 60 -1.612 6.268 3.919 416 3HG2 VAL 60 3HG2 VAL 60 -1.625 6.631 2.197 417 H GLY 61 H GLY 61 -5.243 5.085 4.607 418 1HA GLY 61 1HA GLY 61 -7.136 3.659 4.344 419 2HA GLY 61 2HA GLY 61 -7.678 4.941 5.412 420 H GLU 62 H GLU 62 -7.173 4.728 1.890 421 HA GLU 62 HA GLU 62 -9.572 6.229 1.399 422 1HB GLU 62 1HB GLU 62 -7.423 5.019 -0.277 423 2HB GLU 62 2HB GLU 62 -8.931 5.494 -1.043 424 1HG GLU 62 1HG GLU 62 -7.898 7.572 0.687 425 2HG GLU 62 2HG GLU 62 -6.743 7.109 -0.564 426 H ALA 63 H ALA 63 -8.790 2.947 1.722 427 HA ALA 63 HA ALA 63 -10.643 1.741 0.011 428 1HB ALA 63 1HB ALA 63 -9.254 0.836 2.478 429 2HB ALA 63 2HB ALA 63 -10.612 -0.116 1.862 430 3HB ALA 63 3HB ALA 63 -9.199 0.179 0.842 431 H ASN 64 H ASN 64 -12.670 0.911 0.320 432 HA ASN 64 HA ASN 64 -14.335 2.302 2.218 433 1HB ASN 64 1HB ASN 64 -16.169 1.380 0.832 434 2HB ASN 64 2HB ASN 64 -14.988 2.210 -0.163 435 1HD2 ASN 64 2HD2 ASN 64 -15.909 0.984 -1.903 436 2HD2 ASN 64 1HD2 ASN 64 -15.369 -0.633 -2.183 437 HA PRO 65 HA PRO 65 -15.014 -1.251 4.763 438 1HB PRO 65 1HB PRO 65 -17.893 -1.366 4.383 439 2HB PRO 65 2HB PRO 65 -16.984 -0.781 5.776 440 1HG PRO 65 1HG PRO 65 -18.423 0.851 4.126 441 2HG PRO 65 2HG PRO 65 -17.001 1.388 5.039 442 1HD PRO 65 1HD PRO 65 -17.219 0.629 2.149 443 2HD PRO 65 2HD PRO 65 -16.274 1.930 2.896 444 H ASP 66 H ASP 66 -15.206 -1.588 1.578 445 HA ASP 66 HA ASP 66 -16.532 -4.178 1.494 446 1HB ASP 66 1HB ASP 66 -15.155 -2.773 -0.791 447 2HB ASP 66 2HB ASP 66 -16.395 -4.021 -0.874 448 H GLU 67 H GLU 67 -13.411 -2.881 0.362 449 HA GLU 67 HA GLU 67 -12.135 -5.290 -0.085 450 1HB GLU 67 1HB GLU 67 -10.063 -4.083 0.004 451 2HB GLU 67 2HB GLU 67 -11.278 -3.032 -0.712 452 1HG GLU 67 1HG GLU 67 -10.350 -1.555 0.714 453 2HG GLU 67 2HG GLU 67 -11.540 -2.257 1.808 454 H ASN 68 H ASN 68 -12.630 -3.583 2.938 455 HA ASN 68 HA ASN 68 -10.825 -5.201 4.456 456 1HB ASN 68 1HB ASN 68 -11.533 -2.877 5.091 457 2HB ASN 68 2HB ASN 68 -13.120 -3.529 5.490 458 1HD2 ASN 68 2HD2 ASN 68 -13.399 -3.889 7.552 459 2HD2 ASN 68 1HD2 ASN 68 -12.182 -4.355 8.686 460 H ASP 69 H ASP 69 -14.224 -5.337 3.642 461 HA ASP 69 HA ASP 69 -14.799 -7.445 5.526 462 1HB ASP 69 1HB ASP 69 -16.591 -5.936 5.027 463 2HB ASP 69 2HB ASP 69 -16.404 -6.194 3.295 464 H LEU 70 H LEU 70 -14.486 -7.176 2.000 465 HA LEU 70 HA LEU 70 -15.053 -9.773 1.275 466 1HB LEU 70 1HB LEU 70 -14.697 -8.014 -0.356 467 2HB LEU 70 2HB LEU 70 -13.006 -7.897 0.093 468 HG LEU 70 HG LEU 70 -14.127 -10.462 -0.993 469 1HD1 LEU 70 1HD1 LEU 70 -13.591 -7.943 -2.436 470 2HD1 LEU 70 2HD1 LEU 70 -12.946 -9.418 -3.157 471 3HD1 LEU 70 3HD1 LEU 70 -14.674 -9.276 -2.836 472 1HD2 LEU 70 1HD2 LEU 70 -11.604 -9.587 -0.063 473 2HD2 LEU 70 2HD2 LEU 70 -12.029 -11.144 -0.775 474 3HD2 LEU 70 3HD2 LEU 70 -11.474 -9.824 -1.806 475 H LEU 71 H LEU 71 -11.838 -8.446 2.063 476 HA LEU 71 HA LEU 71 -10.461 -10.888 1.851 477 1HB LEU 71 1HB LEU 71 -9.903 -8.190 2.832 478 2HB LEU 71 2HB LEU 71 -9.021 -9.437 3.695 479 HG LEU 71 HG LEU 71 -7.578 -8.774 1.973 480 1HD1 LEU 71 1HD1 LEU 71 -8.243 -11.309 2.171 481 2HD1 LEU 71 2HD1 LEU 71 -8.854 -11.047 0.538 482 3HD1 LEU 71 3HD1 LEU 71 -7.154 -10.751 0.901 483 1HD2 LEU 71 1HD2 LEU 71 -9.728 -7.769 0.725 484 2HD2 LEU 71 2HD2 LEU 71 -8.172 -8.010 -0.072 485 3HD2 LEU 71 3HD2 LEU 71 -9.457 -9.204 -0.265 486 H GLN 72 H GLN 72 -11.799 -9.204 4.681 487 HA GLN 72 HA GLN 72 -10.977 -10.962 6.659 488 1HB GLN 72 1HB GLN 72 -13.186 -9.008 6.360 489 2HB GLN 72 2HB GLN 72 -13.377 -10.207 7.632 490 1HG GLN 72 1HG GLN 72 -10.778 -8.802 7.476 491 2HG GLN 72 2HG GLN 72 -12.174 -7.874 8.021 492 1HE2 GLN 72 2HE2 GLN 72 -9.828 -10.196 8.837 493 2HE2 GLN 72 1HE2 GLN 72 -10.380 -10.539 10.438 494 H SER 73 H SER 73 -13.620 -11.229 4.377 495 HA SER 73 HA SER 73 -14.942 -13.407 5.633 496 1HB SER 73 1HB SER 73 -15.560 -11.733 3.566 497 2HB SER 73 2HB SER 73 -15.175 -13.222 2.701 498 HG SER 73 HG SER 73 -16.653 -14.239 4.292 499 H THR 74 H THR 74 -11.964 -13.236 4.145 500 HA THR 74 HA THR 74 -12.016 -15.901 2.993 501 HB THR 74 HB THR 74 -9.851 -15.454 2.170 502 HG1 THR 74 HG1 THR 74 -8.499 -14.560 3.481 503 1HG2 THR 74 1HG2 THR 74 -11.675 -13.140 2.093 504 2HG2 THR 74 2HG2 THR 74 -10.003 -12.850 1.616 505 3HG2 THR 74 3HG2 THR 74 -10.959 -14.073 0.779 506 H GLY 75 H GLY 75 -10.468 -14.221 5.706 507 1HA GLY 75 1HA GLY 75 -10.488 -15.608 7.804 508 2HA GLY 75 2HA GLY 75 -9.761 -16.866 6.815 509 H GLU 76 H GLU 76 -8.574 -13.959 5.765 510 HA GLU 76 HA GLU 76 -6.104 -14.358 7.292 511 1HB GLU 76 1HB GLU 76 -6.630 -12.810 4.750 512 2HB GLU 76 2HB GLU 76 -5.062 -12.946 5.534 513 1HG GLU 76 1HG GLU 76 -4.673 -14.942 4.639 514 2HG GLU 76 2HG GLU 76 -6.285 -15.531 5.043 515 HA PRO 77 HA PRO 77 -7.504 -10.928 9.892 516 1HB PRO 77 1HB PRO 77 -4.620 -11.216 10.627 517 2HB PRO 77 2HB PRO 77 -6.033 -11.033 11.673 518 1HG PRO 77 1HG PRO 77 -4.876 -13.413 11.346 519 2HG PRO 77 2HG PRO 77 -6.638 -13.260 11.475 520 1HD PRO 77 1HD PRO 77 -4.952 -13.814 9.090 521 2HD PRO 77 2HD PRO 77 -6.611 -14.331 9.448 522 H MET 78 H MET 78 -6.857 -8.699 10.135 523 HA MET 78 HA MET 78 -5.097 -7.762 7.967 524 1HB MET 78 1HB MET 78 -7.174 -5.894 8.886 525 2HB MET 78 2HB MET 78 -6.629 -6.262 7.255 526 1HG MET 78 1HG MET 78 -8.727 -7.095 7.126 527 2HG MET 78 2HG MET 78 -7.905 -8.529 7.737 528 1HE MET 78 1HE MET 78 -9.121 -5.231 8.801 529 2HE MET 78 2HE MET 78 -10.709 -5.619 9.460 530 3HE MET 78 3HE MET 78 -9.327 -5.441 10.541 531 H THR 79 H THR 79 -4.521 -5.342 8.382 532 HA THR 79 HA THR 79 -4.049 -4.800 11.210 533 HB THR 79 HB THR 79 -1.625 -4.102 10.311 534 HG1 THR 79 HG1 THR 79 -1.979 -6.502 8.912 535 1HG2 THR 79 1HG2 THR 79 -2.402 -5.883 12.094 536 2HG2 THR 79 2HG2 THR 79 -1.880 -7.004 10.838 537 3HG2 THR 79 3HG2 THR 79 -0.746 -5.824 11.493 538 H ALA 80 H ALA 80 -4.281 -2.693 11.679 539 HA ALA 80 HA ALA 80 -5.474 -0.843 10.173 540 1HB ALA 80 1HB ALA 80 -3.439 -0.549 12.330 541 2HB ALA 80 2HB ALA 80 -4.001 0.889 11.476 542 3HB ALA 80 3HB ALA 80 -5.155 -0.136 12.331 543 H GLY 81 H GLY 81 -5.048 -0.504 8.061 544 1HA GLY 81 1HA GLY 81 -3.753 1.119 6.708 545 2HA GLY 81 2HA GLY 81 -2.313 0.381 7.384 546 H THR 82 H THR 82 -3.613 -2.335 7.121 547 HA THR 82 HA THR 82 -2.538 -2.995 4.594 548 HB THR 82 HB THR 82 -4.517 -4.829 5.828 549 HG1 THR 82 HG1 THR 82 -2.041 -4.596 7.100 550 1HG2 THR 82 1HG2 THR 82 -2.533 -5.180 4.020 551 2HG2 THR 82 2HG2 THR 82 -1.731 -5.654 5.517 552 3HG2 THR 82 3HG2 THR 82 -3.222 -6.456 5.022 553 H ARG 83 H ARG 83 -3.398 -2.629 2.662 554 HA ARG 83 HA ARG 83 -6.119 -3.271 2.060 555 1HB ARG 83 1HB ARG 83 -6.613 -0.893 1.227 556 2HB ARG 83 2HB ARG 83 -6.719 -1.187 2.958 557 1HG ARG 83 1HG ARG 83 -4.665 -0.104 3.369 558 2HG ARG 83 2HG ARG 83 -4.246 -0.090 1.657 559 1HD ARG 83 1HD ARG 83 -6.081 1.667 3.186 560 2HD ARG 83 2HD ARG 83 -4.956 2.064 1.890 561 HE ARG 83 HE ARG 83 -7.707 1.501 1.612 562 1HH1 ARG 83 1HH1 ARG 83 -4.647 0.910 0.070 563 2HH1 ARG 83 2HH1 ARG 83 -5.328 0.789 -1.516 564 1HH2 ARG 83 1HH2 ARG 83 -8.612 1.349 -0.475 565 2HH2 ARG 83 2HH2 ARG 83 -7.578 1.036 -1.829 566 H LEU 84 H LEU 84 -6.633 -2.479 -0.281 567 HA LEU 84 HA LEU 84 -4.446 -3.375 -1.934 568 1HB LEU 84 1HB LEU 84 -7.019 -2.277 -3.007 569 2HB LEU 84 2HB LEU 84 -5.998 -3.542 -3.667 570 HG LEU 84 HG LEU 84 -7.409 -3.987 -1.063 571 1HD1 LEU 84 1HD1 LEU 84 -8.692 -3.502 -3.596 572 2HD1 LEU 84 2HD1 LEU 84 -8.984 -5.150 -3.042 573 3HD1 LEU 84 3HD1 LEU 84 -9.405 -3.784 -2.009 574 1HD2 LEU 84 1HD2 LEU 84 -5.627 -5.516 -2.101 575 2HD2 LEU 84 2HD2 LEU 84 -7.134 -6.250 -1.554 576 3HD2 LEU 84 3HD2 LEU 84 -6.875 -5.944 -3.272 577 H SER 85 H SER 85 -3.029 -1.559 -1.383 578 HA SER 85 HA SER 85 -3.573 1.111 -1.983 579 1HB SER 85 1HB SER 85 -0.812 -0.017 -2.308 580 2HB SER 85 2HB SER 85 -1.312 1.529 -1.621 581 HG SER 85 HG SER 85 -1.964 0.504 0.218 582 H CYS 86 H CYS 86 -2.771 -1.522 -4.113 583 HA CYS 86 HA CYS 86 -1.637 -0.185 -6.246 584 1HB CYS 86 1HB CYS 86 -2.213 -1.994 -7.613 585 2HB CYS 86 2HB CYS 86 -2.109 -2.697 -6.002 586 H GLN 87 H GLN 87 -4.877 0.029 -5.067 587 HA GLN 87 HA GLN 87 -5.673 1.467 -7.504 588 1HB GLN 87 1HB GLN 87 -7.946 1.224 -5.921 589 2HB GLN 87 2HB GLN 87 -7.542 0.262 -7.335 590 1HG GLN 87 1HG GLN 87 -6.378 -1.343 -5.843 591 2HG GLN 87 2HG GLN 87 -6.964 -0.410 -4.466 592 1HE2 GLN 87 2HE2 GLN 87 -9.460 0.127 -4.871 593 2HE2 GLN 87 1HE2 GLN 87 -10.416 -1.284 -5.151 594 H VAL 88 H VAL 88 -4.423 2.116 -4.521 595 HA VAL 88 HA VAL 88 -6.030 4.510 -4.068 596 HB VAL 88 HB VAL 88 -3.906 3.097 -2.480 597 1HG1 VAL 88 1HG1 VAL 88 -3.390 5.512 -2.479 598 2HG1 VAL 88 2HG1 VAL 88 -5.002 5.826 -1.837 599 3HG1 VAL 88 3HG1 VAL 88 -3.841 4.899 -0.887 600 1HG2 VAL 88 1HG2 VAL 88 -6.729 3.955 -1.871 601 2HG2 VAL 88 2HG2 VAL 88 -6.169 2.315 -2.203 602 3HG2 VAL 88 3HG2 VAL 88 -5.647 3.145 -0.737 603 H PHE 89 H PHE 89 -5.469 6.262 -5.208 604 HA PHE 89 HA PHE 89 -2.666 6.537 -6.005 605 1HB PHE 89 1HB PHE 89 -5.114 7.882 -7.114 606 2HB PHE 89 2HB PHE 89 -3.489 7.996 -7.771 607 HD1 PHE 89 HD1 PHE 89 -3.264 4.902 -6.765 608 HD2 PHE 89 HD2 PHE 89 -5.642 7.115 -9.517 609 HE1 PHE 89 HE1 PHE 89 -3.680 2.840 -8.050 610 HE2 PHE 89 HE2 PHE 89 -6.057 5.061 -10.823 611 HZ PHE 89 HZ PHE 89 -5.074 2.917 -10.090 612 H ILE 90 H ILE 90 -1.438 8.162 -5.540 613 HA ILE 90 HA ILE 90 -1.590 9.683 -3.328 614 HB ILE 90 HB ILE 90 -0.206 10.154 -5.954 615 1HG1 ILE 90 1HG1 ILE 90 0.166 8.226 -4.120 616 2HG1 ILE 90 2HG1 ILE 90 1.463 8.876 -5.117 617 1HG2 ILE 90 1HG2 ILE 90 -0.007 11.741 -3.427 618 2HG2 ILE 90 2HG2 ILE 90 1.364 11.562 -4.520 619 3HG2 ILE 90 3HG2 ILE 90 -0.124 12.311 -5.088 620 1HD1 ILE 90 1HD1 ILE 90 1.970 10.490 -3.272 621 2HD1 ILE 90 2HD1 ILE 90 0.779 9.622 -2.292 622 3HD1 ILE 90 3HD1 ILE 90 2.221 8.786 -2.865 623 H ASP 91 H ASP 91 -1.791 11.980 -3.015 624 HA ASP 91 HA ASP 91 -3.020 13.787 -4.733 625 1HB ASP 91 1HB ASP 91 -5.267 13.577 -4.305 626 2HB ASP 91 2HB ASP 91 -4.846 11.937 -3.838 627 HA PRO 92 HA PRO 92 -1.456 16.391 -1.496 628 1HB PRO 92 1HB PRO 92 -3.957 17.976 -1.390 629 2HB PRO 92 2HB PRO 92 -2.320 18.488 -1.814 630 1HG PRO 92 1HG PRO 92 -4.196 18.254 -3.697 631 2HG PRO 92 2HG PRO 92 -2.520 17.765 -4.017 632 1HD PRO 92 1HD PRO 92 -4.889 16.056 -3.328 633 2HD PRO 92 2HD PRO 92 -3.645 15.789 -4.570 634 H SER 93 H SER 93 -2.726 14.065 -0.623 635 HA SER 93 HA SER 93 -3.623 14.808 2.058 636 1HB SER 93 1HB SER 93 -5.559 13.620 1.884 637 2HB SER 93 2HB SER 93 -5.319 13.807 0.138 638 HG SER 93 HG SER 93 -5.521 11.576 1.374 639 H MET 94 H MET 94 -2.093 12.567 -0.129 640 HA MET 94 HA MET 94 -0.872 11.084 2.073 641 1HB MET 94 1HB MET 94 -1.698 10.243 -0.709 642 2HB MET 94 2HB MET 94 -0.679 9.256 0.321 643 1HG MET 94 1HG MET 94 -2.402 8.597 1.603 644 2HG MET 94 2HG MET 94 -3.173 10.179 1.553 645 1HE MET 94 1HE MET 94 -1.874 8.008 -1.229 646 2HE MET 94 2HE MET 94 -2.860 6.683 -0.610 647 3HE MET 94 3HE MET 94 -3.294 7.471 -2.127 648 H ASP 95 H ASP 95 0.267 13.450 1.285 649 HA ASP 95 HA ASP 95 2.266 12.905 -0.665 650 1HB ASP 95 1HB ASP 95 2.429 15.426 0.831 651 2HB ASP 95 2HB ASP 95 2.434 15.182 -0.902 652 H GLY 96 H GLY 96 4.254 12.196 -0.140 653 1HA GLY 96 1HA GLY 96 6.148 11.835 1.190 654 2HA GLY 96 2HA GLY 96 5.422 12.868 2.419 655 H LEU 97 H LEU 97 3.643 10.327 0.914 656 HA LEU 97 HA LEU 97 2.954 9.173 3.394 657 1HB LEU 97 1HB LEU 97 1.334 8.099 2.269 658 2HB LEU 97 2HB LEU 97 1.729 9.281 1.039 659 HG LEU 97 HG LEU 97 3.435 7.099 0.558 660 1HD1 LEU 97 1HD1 LEU 97 1.914 5.811 2.051 661 2HD1 LEU 97 2HD1 LEU 97 0.600 6.162 0.929 662 3HD1 LEU 97 3HD1 LEU 97 1.986 5.210 0.395 663 1HD2 LEU 97 1HD2 LEU 97 2.298 8.705 -1.018 664 2HD2 LEU 97 2HD2 LEU 97 2.328 7.017 -1.528 665 3HD2 LEU 97 3HD2 LEU 97 0.852 7.710 -0.854 666 H ILE 98 H ILE 98 3.320 7.152 4.194 667 HA ILE 98 HA ILE 98 5.816 5.961 3.261 668 HB ILE 98 HB ILE 98 4.640 5.856 5.976 669 1HG1 ILE 98 1HG1 ILE 98 6.580 7.223 6.622 670 2HG1 ILE 98 2HG1 ILE 98 7.066 7.286 4.926 671 1HG2 ILE 98 1HG2 ILE 98 5.850 3.802 5.402 672 2HG2 ILE 98 2HG2 ILE 98 7.276 4.779 5.052 673 3HG2 ILE 98 3HG2 ILE 98 6.631 4.718 6.692 674 1HD1 ILE 98 1HD1 ILE 98 4.315 8.061 5.394 675 2HD1 ILE 98 2HD1 ILE 98 5.491 9.113 6.185 676 3HD1 ILE 98 3HD1 ILE 98 5.569 8.849 4.442 677 H VAL 99 H VAL 99 5.917 3.852 2.710 678 HA VAL 99 HA VAL 99 3.526 2.282 3.236 679 HB VAL 99 HB VAL 99 4.914 1.539 0.821 680 1HG1 VAL 99 1HG1 VAL 99 2.215 1.743 1.981 681 2HG1 VAL 99 2HG1 VAL 99 2.346 1.766 0.218 682 3HG1 VAL 99 3HG1 VAL 99 2.996 0.404 1.134 683 1HG2 VAL 99 1HG2 VAL 99 3.528 4.202 1.061 684 2HG2 VAL 99 2HG2 VAL 99 5.147 3.880 0.442 685 3HG2 VAL 99 3HG2 VAL 99 3.734 3.361 -0.477 686 H ARG 100 H ARG 100 3.772 0.004 3.483 687 HA ARG 100 HA ARG 100 6.517 -0.977 3.602 688 1HB ARG 100 1HB ARG 100 4.727 -1.527 5.940 689 2HB ARG 100 2HB ARG 100 6.480 -1.624 5.841 690 1HG ARG 100 1HG ARG 100 6.274 0.969 5.448 691 2HG ARG 100 2HG ARG 100 4.729 0.740 6.270 692 1HD ARG 100 1HD ARG 100 5.834 -0.226 8.178 693 2HD ARG 100 2HD ARG 100 7.389 -0.185 7.347 694 HE ARG 100 HE ARG 100 6.242 2.409 7.523 695 1HH1 ARG 100 1HH1 ARG 100 7.941 -0.010 9.364 696 2HH1 ARG 100 2HH1 ARG 100 8.638 1.131 10.465 697 1HH2 ARG 100 1HH2 ARG 100 7.153 3.920 8.966 698 2HH2 ARG 100 2HH2 ARG 100 8.188 3.367 10.240 699 H VAL 101 H VAL 101 6.644 -3.324 3.984 700 HA VAL 101 HA VAL 101 4.248 -4.788 3.110 701 HB VAL 101 HB VAL 101 6.981 -5.474 2.062 702 1HG1 VAL 101 1HG1 VAL 101 4.172 -6.182 1.260 703 2HG1 VAL 101 2HG1 VAL 101 5.597 -6.570 0.294 704 3HG1 VAL 101 3HG1 VAL 101 5.414 -7.252 1.910 705 1HG2 VAL 101 1HG2 VAL 101 5.648 -3.125 1.440 706 2HG2 VAL 101 2HG2 VAL 101 6.939 -3.883 0.507 707 3HG2 VAL 101 3HG2 VAL 101 5.251 -4.217 0.114 708 HA PRO 102 HA PRO 102 6.531 -6.869 6.602 709 1HB PRO 102 1HB PRO 102 5.026 -6.171 8.687 710 2HB PRO 102 2HB PRO 102 6.233 -5.061 8.025 711 1HG PRO 102 1HG PRO 102 3.268 -5.078 7.667 712 2HG PRO 102 2HG PRO 102 4.366 -3.700 7.867 713 1HD PRO 102 1HD PRO 102 3.363 -4.638 5.433 714 2HD PRO 102 2HD PRO 102 4.770 -3.579 5.623 715 H LEU 103 H LEU 103 5.526 -8.377 8.324 716 HA LEU 103 HA LEU 103 2.956 -9.513 7.600 717 1HB LEU 103 1HB LEU 103 5.578 -10.899 7.142 718 2HB LEU 103 2HB LEU 103 4.149 -11.834 7.533 719 HG LEU 103 HG LEU 103 4.317 -9.942 5.188 720 1HD1 LEU 103 1HD1 LEU 103 5.197 -12.738 5.511 721 2HD1 LEU 103 2HD1 LEU 103 4.254 -12.377 4.064 722 3HD1 LEU 103 3HD1 LEU 103 5.745 -11.493 4.390 723 1HD2 LEU 103 1HD2 LEU 103 2.219 -11.639 6.353 724 2HD2 LEU 103 2HD2 LEU 103 2.088 -10.208 5.332 725 3HD2 LEU 103 3HD2 LEU 103 2.415 -11.781 4.608 726 HA PRO 104 HA PRO 104 2.888 -10.555 11.884 727 1HB PRO 104 1HB PRO 104 1.504 -12.876 11.965 728 2HB PRO 104 2HB PRO 104 0.748 -11.335 11.541 729 1HG PRO 104 1HG PRO 104 1.686 -13.543 9.754 730 2HG PRO 104 2HG PRO 104 0.206 -12.572 9.653 731 1HD PRO 104 1HD PRO 104 2.419 -12.112 8.128 732 2HD PRO 104 2HD PRO 104 1.271 -10.841 8.589 733 H ALA 105 H ALA 105 5.072 -10.910 12.363 734 HA ALA 105 HA ALA 105 5.885 -13.743 12.428 735 1HB ALA 105 1HB ALA 105 7.535 -11.298 11.849 736 2HB ALA 105 2HB ALA 105 8.252 -12.842 12.309 737 3HB ALA 105 3HB ALA 105 7.291 -12.718 10.834 Start of MODEL 7 1 2H PRO 1 2H PRO 1 4.442 14.917 -5.733 2 1H PRO 1 1H PRO 1 5.159 13.443 -5.906 3 HA PRO 1 HA PRO 1 4.986 15.011 -3.731 4 1HB PRO 1 1HB PRO 1 3.919 12.348 -2.992 5 2HB PRO 1 2HB PRO 1 3.632 13.911 -2.262 6 1HG PRO 1 1HG PRO 1 1.762 12.917 -3.714 7 2HG PRO 1 2HG PRO 1 2.220 14.607 -3.988 8 1HD PRO 1 1HD PRO 1 3.177 12.168 -5.485 9 2HD PRO 1 2HD PRO 1 2.394 13.602 -6.150 10 H ARG 2 H ARG 2 5.655 13.290 -1.823 11 HA ARG 2 HA ARG 2 8.035 11.864 -2.878 12 1HB ARG 2 1HB ARG 2 8.912 13.668 -1.621 13 2HB ARG 2 2HB ARG 2 7.667 13.523 -0.389 14 1HG ARG 2 1HG ARG 2 8.665 11.607 0.544 15 2HG ARG 2 2HG ARG 2 9.722 11.386 -0.854 16 1HD ARG 2 1HD ARG 2 11.280 12.624 0.121 17 2HD ARG 2 2HD ARG 2 10.166 13.989 0.176 18 HE ARG 2 HE ARG 2 9.382 12.663 2.321 19 1HH1 ARG 2 1HH1 ARG 2 12.616 13.325 1.201 20 2HH1 ARG 2 2HH1 ARG 2 13.295 13.369 2.793 21 1HH2 ARG 2 1HH2 ARG 2 10.268 12.721 4.419 22 2HH2 ARG 2 2HH2 ARG 2 11.961 13.028 4.622 23 H VAL 3 H VAL 3 8.641 9.904 -1.407 24 HA VAL 3 HA VAL 3 6.490 9.059 0.290 25 HB VAL 3 HB VAL 3 6.614 8.259 -2.513 26 1HG1 VAL 3 1HG1 VAL 3 7.313 6.183 -1.048 27 2HG1 VAL 3 2HG1 VAL 3 5.577 6.139 -0.759 28 3HG1 VAL 3 3HG1 VAL 3 6.201 6.084 -2.414 29 1HG2 VAL 3 1HG2 VAL 3 4.645 8.499 -0.331 30 2HG2 VAL 3 2HG2 VAL 3 4.686 9.281 -1.919 31 3HG2 VAL 3 3HG2 VAL 3 4.263 7.572 -1.788 32 H VAL 4 H VAL 4 6.783 6.883 1.137 33 HA VAL 4 HA VAL 4 9.457 5.842 0.904 34 HB VAL 4 HB VAL 4 8.530 7.127 3.441 35 1HG1 VAL 4 1HG1 VAL 4 9.981 4.605 3.156 36 2HG1 VAL 4 2HG1 VAL 4 10.854 5.812 4.107 37 3HG1 VAL 4 3HG1 VAL 4 9.229 5.321 4.586 38 1HG2 VAL 4 1HG2 VAL 4 10.732 7.356 1.502 39 2HG2 VAL 4 2HG2 VAL 4 9.944 8.603 2.473 40 3HG2 VAL 4 3HG2 VAL 4 11.174 7.565 3.197 41 H PHE 5 H PHE 5 9.110 3.909 0.475 42 HA PHE 5 HA PHE 5 6.899 2.359 1.611 43 1HB PHE 5 1HB PHE 5 9.024 1.833 -0.449 44 2HB PHE 5 2HB PHE 5 7.947 0.578 0.124 45 HD1 PHE 5 HD1 PHE 5 6.759 4.064 -0.515 46 HD2 PHE 5 HD2 PHE 5 7.095 0.078 -1.970 47 HE1 PHE 5 HE1 PHE 5 5.229 4.589 -2.352 48 HE2 PHE 5 HE2 PHE 5 5.560 0.582 -3.766 49 HZ PHE 5 HZ PHE 5 4.596 2.837 -3.972 50 H ILE 6 H ILE 6 7.583 0.049 2.206 51 HA ILE 6 HA ILE 6 10.200 -0.343 3.287 52 HB ILE 6 HB ILE 6 7.772 -0.220 5.028 53 1HG1 ILE 6 1HG1 ILE 6 9.706 1.305 6.164 54 2HG1 ILE 6 2HG1 ILE 6 10.025 1.570 4.472 55 1HG2 ILE 6 1HG2 ILE 6 10.539 -1.212 5.552 56 2HG2 ILE 6 2HG2 ILE 6 9.393 -0.812 6.833 57 3HG2 ILE 6 3HG2 ILE 6 9.021 -2.095 5.680 58 1HD1 ILE 6 1HD1 ILE 6 7.230 1.835 5.381 59 2HD1 ILE 6 2HD1 ILE 6 8.372 3.083 5.877 60 3HD1 ILE 6 3HD1 ILE 6 8.123 2.746 4.164 61 H ASP 7 H ASP 7 10.392 -2.582 4.180 62 HA ASP 7 HA ASP 7 8.300 -4.454 3.866 63 1HB ASP 7 1HB ASP 7 9.068 -3.700 1.478 64 2HB ASP 7 2HB ASP 7 10.378 -4.847 1.760 65 H GLU 8 H GLU 8 9.696 -6.756 3.286 66 HA GLU 8 HA GLU 8 11.455 -6.917 5.618 67 1HB GLU 8 1HB GLU 8 10.407 -8.831 6.063 68 2HB GLU 8 2HB GLU 8 9.358 -8.533 4.691 69 1HG GLU 8 1HG GLU 8 10.158 -10.677 4.324 70 2HG GLU 8 2HG GLU 8 11.175 -9.674 3.292 71 H GLN 9 H GLN 9 11.644 -6.793 2.254 72 HA GLN 9 HA GLN 9 14.062 -8.401 2.070 73 1HB GLN 9 1HB GLN 9 12.214 -7.109 0.136 74 2HB GLN 9 2HB GLN 9 13.886 -7.309 -0.369 75 1HG GLN 9 1HG GLN 9 12.177 -9.555 0.666 76 2HG GLN 9 2HG GLN 9 12.344 -9.150 -1.041 77 1HE2 GLN 9 2HE2 GLN 9 14.799 -8.822 -1.616 78 2HE2 GLN 9 1HE2 GLN 9 15.818 -10.128 -1.127 79 H SER 10 H SER 10 13.553 -5.529 3.326 80 HA SER 10 HA SER 10 16.224 -4.641 3.025 81 1HB SER 10 1HB SER 10 16.050 -3.428 1.146 82 2HB SER 10 2HB SER 10 14.302 -3.651 1.092 83 HG SER 10 HG SER 10 15.690 -1.475 1.793 84 H GLY 11 H GLY 11 12.923 -3.994 4.000 85 1HA GLY 11 1HA GLY 11 12.182 -3.220 6.052 86 2HA GLY 11 2HA GLY 11 13.848 -2.912 6.505 87 H GLU 12 H GLU 12 12.847 -1.690 3.510 88 HA GLU 12 HA GLU 12 11.571 0.664 4.018 89 1HB GLU 12 1HB GLU 12 13.212 1.465 5.499 90 2HB GLU 12 2HB GLU 12 14.531 0.919 4.470 91 1HG GLU 12 1HG GLU 12 14.026 2.605 2.836 92 2HG GLU 12 2HG GLU 12 12.587 3.092 3.728 93 H TYR 13 H TYR 13 11.246 1.812 2.226 94 HA TYR 13 HA TYR 13 12.952 1.419 -0.091 95 1HB TYR 13 1HB TYR 13 10.095 0.558 0.142 96 2HB TYR 13 2HB TYR 13 10.813 0.925 -1.425 97 HD1 TYR 13 HD1 TYR 13 11.172 -1.191 1.587 98 HD2 TYR 13 HD2 TYR 13 12.128 -0.662 -2.512 99 HE1 TYR 13 HE1 TYR 13 12.115 -3.472 1.528 100 HE2 TYR 13 HE2 TYR 13 13.058 -2.917 -2.611 101 HH TYR 13 HH TYR 13 12.487 -5.251 -0.623 102 H ALA 14 H ALA 14 13.074 3.693 1.046 103 HA ALA 14 HA ALA 14 11.195 5.670 0.827 104 1HB ALA 14 1HB ALA 14 14.114 5.582 0.906 105 2HB ALA 14 2HB ALA 14 13.463 7.017 0.111 106 3HB ALA 14 3HB ALA 14 12.986 6.632 1.766 107 H VAL 15 H VAL 15 10.442 7.044 -0.720 108 HA VAL 15 HA VAL 15 11.506 7.143 -3.358 109 HB VAL 15 HB VAL 15 10.363 4.901 -3.189 110 1HG1 VAL 15 1HG1 VAL 15 7.897 6.627 -3.169 111 2HG1 VAL 15 2HG1 VAL 15 7.911 4.926 -3.692 112 3HG1 VAL 15 3HG1 VAL 15 8.371 5.345 -2.046 113 1HG2 VAL 15 1HG2 VAL 15 10.437 6.814 -5.301 114 2HG2 VAL 15 2HG2 VAL 15 10.580 5.065 -5.386 115 3HG2 VAL 15 3HG2 VAL 15 8.986 5.814 -5.446 116 H ASP 16 H ASP 16 9.061 7.656 -4.614 117 HA ASP 16 HA ASP 16 7.735 9.801 -3.294 118 1HB ASP 16 1HB ASP 16 9.048 10.412 -5.876 119 2HB ASP 16 2HB ASP 16 8.436 11.530 -4.667 120 H ALA 17 H ALA 17 6.039 10.609 -4.649 121 HA ALA 17 HA ALA 17 5.378 8.874 -6.906 122 1HB ALA 17 1HB ALA 17 4.465 8.458 -4.410 123 2HB ALA 17 2HB ALA 17 3.197 9.513 -5.094 124 3HB ALA 17 3HB ALA 17 3.609 7.985 -5.893 125 H GLN 18 H GLN 18 3.030 9.714 -7.648 126 HA GLN 18 HA GLN 18 3.009 12.641 -7.694 127 1HB GLN 18 1HB GLN 18 2.568 11.218 -10.281 128 2HB GLN 18 2HB GLN 18 3.130 12.857 -9.989 129 1HG GLN 18 1HG GLN 18 5.292 12.000 -9.271 130 2HG GLN 18 2HG GLN 18 4.733 10.352 -9.540 131 1HE2 GLN 18 2HE2 GLN 18 3.348 10.710 -11.918 132 2HE2 GLN 18 1HE2 GLN 18 4.475 11.090 -13.170 133 H ASP 19 H ASP 19 1.010 13.420 -7.414 134 HA ASP 19 HA ASP 19 -1.171 12.075 -6.677 135 1HB ASP 19 1HB ASP 19 -1.411 14.433 -8.521 136 2HB ASP 19 2HB ASP 19 -2.550 13.931 -7.285 137 H GLY 20 H GLY 20 -2.112 10.381 -7.428 138 1HA GLY 20 1HA GLY 20 -3.763 9.673 -9.139 139 2HA GLY 20 2HA GLY 20 -2.588 10.203 -10.334 140 H GLN 21 H GLN 21 -0.768 8.917 -7.911 141 HA GLN 21 HA GLN 21 -0.926 6.215 -9.086 142 1HB GLN 21 1HB GLN 21 1.584 7.565 -8.088 143 2HB GLN 21 2HB GLN 21 1.470 6.000 -8.881 144 1HG GLN 21 1HG GLN 21 1.247 6.907 -10.952 145 2HG GLN 21 2HG GLN 21 0.452 8.355 -10.347 146 1HE2 GLN 21 2HE2 GLN 21 3.303 7.350 -8.763 147 2HE2 GLN 21 1HE2 GLN 21 4.359 8.541 -9.417 148 H SER 22 H SER 22 -0.598 4.473 -7.726 149 HA SER 22 HA SER 22 -1.109 5.073 -4.921 150 1HB SER 22 1HB SER 22 -2.074 2.966 -4.749 151 2HB SER 22 2HB SER 22 -2.422 3.375 -6.427 152 HG SER 22 HG SER 22 -1.157 1.819 -7.062 153 H LEU 23 H LEU 23 -0.172 3.037 -3.525 154 HA LEU 23 HA LEU 23 2.715 3.426 -3.644 155 1HB LEU 23 1HB LEU 23 0.950 1.984 -1.660 156 2HB LEU 23 2HB LEU 23 2.692 2.113 -1.514 157 HG LEU 23 HG LEU 23 1.929 3.789 -0.108 158 1HD1 LEU 23 1HD1 LEU 23 3.365 4.505 -2.280 159 2HD1 LEU 23 2HD1 LEU 23 2.000 5.614 -2.412 160 3HD1 LEU 23 3HD1 LEU 23 2.981 5.592 -0.947 161 1HD2 LEU 23 1HD2 LEU 23 -0.443 3.544 -1.374 162 2HD2 LEU 23 2HD2 LEU 23 -0.063 4.828 -0.226 163 3HD2 LEU 23 3HD2 LEU 23 0.075 5.126 -1.959 164 H MET 24 H MET 24 0.884 1.595 -5.403 165 HA MET 24 HA MET 24 2.386 -0.897 -5.065 166 1HB MET 24 1HB MET 24 0.653 -2.017 -6.076 167 2HB MET 24 2HB MET 24 -0.237 -0.677 -5.369 168 1HG MET 24 1HG MET 24 -1.082 -0.379 -7.401 169 2HG MET 24 2HG MET 24 0.481 0.325 -7.810 170 1HE MET 24 1HE MET 24 1.815 -0.187 -9.303 171 2HE MET 24 2HE MET 24 2.524 -1.801 -9.369 172 3HE MET 24 3HE MET 24 1.452 -1.256 -10.658 173 H GLU 25 H GLU 25 1.920 1.837 -7.121 174 HA GLU 25 HA GLU 25 3.486 0.666 -9.270 175 1HB GLU 25 1HB GLU 25 2.721 3.526 -9.380 176 2HB GLU 25 2HB GLU 25 2.675 2.303 -10.642 177 1HG GLU 25 1HG GLU 25 0.694 1.314 -9.402 178 2HG GLU 25 2HG GLU 25 0.672 2.810 -8.470 179 H VAL 26 H VAL 26 3.790 3.245 -6.839 180 HA VAL 26 HA VAL 26 6.170 4.301 -7.754 181 HB VAL 26 HB VAL 26 6.303 3.791 -4.869 182 1HG1 VAL 26 1HG1 VAL 26 7.554 5.379 -6.426 183 2HG1 VAL 26 2HG1 VAL 26 6.122 6.389 -6.308 184 3HG1 VAL 26 3HG1 VAL 26 7.028 5.983 -4.861 185 1HG2 VAL 26 1HG2 VAL 26 3.849 3.935 -5.204 186 2HG2 VAL 26 2HG2 VAL 26 4.570 5.184 -4.189 187 3HG2 VAL 26 3HG2 VAL 26 4.110 5.558 -5.850 188 H ALA 27 H ALA 27 5.681 1.691 -5.491 189 HA ALA 27 HA ALA 27 7.967 0.638 -4.867 190 1HB ALA 27 1HB ALA 27 5.429 -0.467 -5.288 191 2HB ALA 27 2HB ALA 27 6.572 -1.553 -6.082 192 3HB ALA 27 3HB ALA 27 6.762 -1.168 -4.368 193 H THR 28 H THR 28 6.574 -0.714 -7.805 194 HA THR 28 HA THR 28 8.840 -1.869 -8.803 195 HB THR 28 HB THR 28 7.629 -2.329 -10.653 196 HG1 THR 28 HG1 THR 28 7.776 -0.580 -11.857 197 1HG2 THR 28 1HG2 THR 28 5.915 -2.384 -8.805 198 2HG2 THR 28 2HG2 THR 28 5.352 -0.829 -9.416 199 3HG2 THR 28 3HG2 THR 28 5.296 -2.256 -10.451 200 H GLN 29 H GLN 29 7.887 1.473 -8.886 201 HA GLN 29 HA GLN 29 9.959 2.244 -10.736 202 1HB GLN 29 1HB GLN 29 8.184 3.918 -8.958 203 2HB GLN 29 2HB GLN 29 9.296 4.566 -10.154 204 1HG GLN 29 1HG GLN 29 7.754 2.700 -11.532 205 2HG GLN 29 2HG GLN 29 6.623 3.563 -10.489 206 1HE2 GLN 29 2HE2 GLN 29 7.263 6.045 -10.441 207 2HE2 GLN 29 1HE2 GLN 29 7.400 6.754 -12.010 208 H ASN 30 H ASN 30 9.580 2.031 -7.289 209 HA ASN 30 HA ASN 30 12.052 3.452 -6.747 210 1HB ASN 30 1HB ASN 30 10.851 1.917 -4.556 211 2HB ASN 30 2HB ASN 30 11.282 3.605 -4.612 212 1HD2 ASN 30 2HD2 ASN 30 8.837 2.186 -3.660 213 2HD2 ASN 30 1HD2 ASN 30 7.541 2.905 -4.478 214 H GLY 31 H GLY 31 11.505 0.531 -7.985 215 1HA GLY 31 1HA GLY 31 12.958 -1.269 -8.240 216 2HA GLY 31 2HA GLY 31 14.006 -0.555 -7.018 217 H VAL 32 H VAL 32 11.088 -0.441 -5.678 218 HA VAL 32 HA VAL 32 11.454 -2.216 -3.642 219 HB VAL 32 HB VAL 32 8.764 -1.522 -4.772 220 1HG1 VAL 32 1HG1 VAL 32 8.895 -3.019 -2.763 221 2HG1 VAL 32 2HG1 VAL 32 9.569 -1.632 -1.896 222 3HG1 VAL 32 3HG1 VAL 32 7.940 -1.540 -2.581 223 1HG2 VAL 32 1HG2 VAL 32 10.746 0.211 -3.389 224 2HG2 VAL 32 2HG2 VAL 32 9.769 0.549 -4.821 225 3HG2 VAL 32 3HG2 VAL 32 9.014 0.508 -3.224 226 HA PRO 33 HA PRO 33 11.096 -6.443 -4.652 227 1HB PRO 33 1HB PRO 33 8.605 -6.495 -3.073 228 2HB PRO 33 2HB PRO 33 10.104 -7.392 -2.829 229 1HG PRO 33 1HG PRO 33 9.259 -4.961 -1.529 230 2HG PRO 33 2HG PRO 33 10.739 -5.878 -1.251 231 1HD PRO 33 1HD PRO 33 10.644 -3.379 -2.345 232 2HD PRO 33 2HD PRO 33 11.961 -4.523 -2.600 233 H GLY 34 H GLY 34 8.293 -4.383 -4.920 234 1HA GLY 34 1HA GLY 34 6.579 -4.296 -6.441 235 2HA GLY 34 2HA GLY 34 7.706 -5.058 -7.554 236 H ILE 35 H ILE 35 5.704 -5.934 -4.745 237 HA ILE 35 HA ILE 35 5.292 -8.586 -5.877 238 HB ILE 35 HB ILE 35 4.026 -7.562 -3.349 239 1HG1 ILE 35 1HG1 ILE 35 6.410 -7.087 -3.161 240 2HG1 ILE 35 2HG1 ILE 35 5.991 -8.455 -2.133 241 1HG2 ILE 35 1HG2 ILE 35 4.397 -10.161 -4.679 242 2HG2 ILE 35 2HG2 ILE 35 4.656 -10.153 -2.936 243 3HG2 ILE 35 3HG2 ILE 35 3.116 -9.607 -3.601 244 1HD1 ILE 35 1HD1 ILE 35 7.256 -8.652 -4.856 245 2HD1 ILE 35 2HD1 ILE 35 8.105 -8.785 -3.316 246 3HD1 ILE 35 3HD1 ILE 35 6.900 -9.992 -3.766 247 H VAL 36 H VAL 36 4.223 -6.486 -7.394 248 HA VAL 36 HA VAL 36 1.345 -7.064 -7.166 249 HB VAL 36 HB VAL 36 0.751 -4.833 -7.759 250 1HG1 VAL 36 1HG1 VAL 36 1.827 -5.452 -5.369 251 2HG1 VAL 36 2HG1 VAL 36 2.862 -4.103 -5.838 252 3HG1 VAL 36 3HG1 VAL 36 1.114 -3.883 -5.746 253 1HG2 VAL 36 1HG2 VAL 36 3.374 -4.753 -8.859 254 2HG2 VAL 36 2HG2 VAL 36 2.059 -3.593 -9.057 255 3HG2 VAL 36 3HG2 VAL 36 3.202 -3.413 -7.726 256 H ALA 37 H ALA 37 0.797 -5.402 -9.528 257 HA ALA 37 HA ALA 37 0.927 -5.431 -11.823 258 1HB ALA 37 1HB ALA 37 3.438 -6.014 -11.306 259 2HB ALA 37 2HB ALA 37 2.950 -7.615 -11.860 260 3HB ALA 37 3HB ALA 37 2.774 -6.221 -12.926 261 H GLU 38 H GLU 38 -0.279 -7.548 -9.827 262 HA GLU 38 HA GLU 38 -0.712 -9.860 -11.444 263 1HB GLU 38 1HB GLU 38 -1.932 -8.828 -8.896 264 2HB GLU 38 2HB GLU 38 -2.577 -10.253 -9.701 265 1HG GLU 38 1HG GLU 38 0.326 -10.044 -9.005 266 2HG GLU 38 2HG GLU 38 -0.868 -10.576 -7.823 267 H CYS 39 H CYS 39 -3.301 -7.851 -10.104 268 HA CYS 39 HA CYS 39 -4.872 -8.290 -12.495 269 1HB CYS 39 1HB CYS 39 -6.718 -7.393 -11.260 270 2HB CYS 39 2HB CYS 39 -5.830 -8.462 -10.183 271 H GLY 40 H GLY 40 -3.021 -5.735 -11.033 272 1HA GLY 40 1HA GLY 40 -2.422 -3.661 -11.810 273 2HA GLY 40 2HA GLY 40 -2.917 -4.222 -13.398 274 H GLY 41 H GLY 41 -4.138 -2.825 -10.378 275 1HA GLY 41 1HA GLY 41 -5.817 -1.304 -10.001 276 2HA GLY 41 2HA GLY 41 -5.680 -0.872 -11.699 277 H SER 42 H SER 42 -6.499 -4.069 -10.518 278 HA SER 42 HA SER 42 -9.169 -3.746 -11.714 279 1HB SER 42 1HB SER 42 -7.156 -5.756 -12.062 280 2HB SER 42 2HB SER 42 -8.583 -6.498 -11.339 281 HG SER 42 HG SER 42 -9.407 -6.431 -13.259 282 H CYS 43 H CYS 43 -7.438 -4.378 -8.837 283 HA CYS 43 HA CYS 43 -8.048 -4.931 -6.713 284 1HB CYS 43 1HB CYS 43 -10.755 -3.880 -7.557 285 2HB CYS 43 2HB CYS 43 -10.130 -3.989 -5.914 286 HG CYS 43 HG CYS 43 -8.439 -2.079 -6.514 287 H VAL 44 H VAL 44 -8.073 -7.100 -8.382 288 HA VAL 44 HA VAL 44 -10.392 -8.626 -7.392 289 HB VAL 44 HB VAL 44 -10.349 -8.211 -9.907 290 1HG1 VAL 44 1HG1 VAL 44 -7.734 -9.203 -9.611 291 2HG1 VAL 44 2HG1 VAL 44 -8.637 -10.426 -10.504 292 3HG1 VAL 44 3HG1 VAL 44 -8.565 -8.769 -11.104 293 1HG2 VAL 44 1HG2 VAL 44 -10.786 -10.699 -8.436 294 2HG2 VAL 44 2HG2 VAL 44 -11.826 -9.865 -9.592 295 3HG2 VAL 44 3HG2 VAL 44 -10.541 -10.928 -10.168 296 H CYS 45 H CYS 45 -7.229 -8.177 -6.915 297 HA CYS 45 HA CYS 45 -6.817 -10.991 -6.180 298 1HB CYS 45 1HB CYS 45 -4.703 -11.110 -7.092 299 2HB CYS 45 2HB CYS 45 -5.513 -10.089 -8.274 300 H ALA 46 H ALA 46 -4.997 -11.229 -4.560 301 HA ALA 46 HA ALA 46 -4.920 -8.909 -2.747 302 1HB ALA 46 1HB ALA 46 -6.513 -10.797 -2.083 303 2HB ALA 46 2HB ALA 46 -5.058 -11.730 -1.733 304 3HB ALA 46 3HB ALA 46 -5.369 -10.226 -0.868 305 H THR 47 H THR 47 -2.979 -10.004 -4.737 306 HA THR 47 HA THR 47 -0.825 -11.029 -3.074 307 HB THR 47 HB THR 47 -0.515 -10.275 -5.962 308 HG1 THR 47 HG1 THR 47 -2.183 -11.529 -6.296 309 1HG2 THR 47 1HG2 THR 47 0.681 -12.370 -4.182 310 2HG2 THR 47 2HG2 THR 47 0.791 -12.445 -5.940 311 3HG2 THR 47 3HG2 THR 47 1.496 -11.082 -5.069 312 H CYS 48 H CYS 48 -2.011 -8.036 -4.089 313 HA CYS 48 HA CYS 48 0.579 -6.695 -3.897 314 1HB CYS 48 1HB CYS 48 -0.484 -4.780 -4.810 315 2HB CYS 48 2HB CYS 48 -1.133 -6.152 -5.702 316 H ARG 49 H ARG 49 -1.964 -7.588 -1.909 317 HA ARG 49 HA ARG 49 -2.673 -5.664 -0.228 318 1HB ARG 49 1HB ARG 49 -2.907 -8.233 0.001 319 2HB ARG 49 2HB ARG 49 -1.447 -8.125 0.974 320 1HG ARG 49 1HG ARG 49 -3.277 -6.148 1.883 321 2HG ARG 49 2HG ARG 49 -4.123 -7.692 1.764 322 1HD ARG 49 1HD ARG 49 -1.818 -8.491 2.912 323 2HD ARG 49 2HD ARG 49 -1.937 -6.855 3.558 324 HE ARG 49 HE ARG 49 -4.401 -7.855 4.007 325 1HH1 ARG 49 1HH1 ARG 49 -1.202 -9.049 4.699 326 2HH1 ARG 49 2HH1 ARG 49 -1.692 -9.914 6.117 327 1HH2 ARG 49 1HH2 ARG 49 -5.055 -8.989 5.874 328 2HH2 ARG 49 2HH2 ARG 49 -3.881 -9.881 6.783 329 H ILE 50 H ILE 50 -1.450 -3.905 0.166 330 HA ILE 50 HA ILE 50 1.180 -4.315 1.429 331 HB ILE 50 HB ILE 50 0.710 -2.832 -0.775 332 1HG1 ILE 50 1HG1 ILE 50 2.796 -1.451 0.240 333 2HG1 ILE 50 2HG1 ILE 50 2.758 -2.810 1.360 334 1HG2 ILE 50 1HG2 ILE 50 -0.747 -1.268 0.503 335 2HG2 ILE 50 2HG2 ILE 50 0.664 -0.807 1.454 336 3HG2 ILE 50 3HG2 ILE 50 0.629 -0.491 -0.280 337 1HD1 ILE 50 1HD1 ILE 50 2.516 -3.675 -1.387 338 2HD1 ILE 50 2HD1 ILE 50 3.984 -2.737 -1.111 339 3HD1 ILE 50 3HD1 ILE 50 3.658 -4.173 -0.138 340 H GLU 51 H GLU 51 1.674 -2.137 2.778 341 HA GLU 51 HA GLU 51 -0.668 -1.496 4.408 342 1HB GLU 51 1HB GLU 51 1.645 -3.110 5.260 343 2HB GLU 51 2HB GLU 51 1.196 -1.817 6.364 344 1HG GLU 51 1HG GLU 51 -0.964 -2.700 6.679 345 2HG GLU 51 2HG GLU 51 -0.790 -3.810 5.319 346 H ILE 52 H ILE 52 -0.775 0.638 4.473 347 HA ILE 52 HA ILE 52 1.423 2.377 3.947 348 HB ILE 52 HB ILE 52 -1.263 2.969 5.220 349 1HG1 ILE 52 1HG1 ILE 52 -1.099 1.917 2.842 350 2HG1 ILE 52 2HG1 ILE 52 -2.146 3.307 3.104 351 1HG2 ILE 52 1HG2 ILE 52 1.025 4.636 4.730 352 2HG2 ILE 52 2HG2 ILE 52 -0.356 5.197 3.790 353 3HG2 ILE 52 3HG2 ILE 52 -0.494 5.027 5.538 354 1HD1 ILE 52 1HD1 ILE 52 0.665 3.724 2.233 355 2HD1 ILE 52 2HD1 ILE 52 -0.565 3.244 1.057 356 3HD1 ILE 52 3HD1 ILE 52 -0.760 4.737 1.979 357 H GLU 53 H GLU 53 2.626 3.706 5.496 358 HA GLU 53 HA GLU 53 3.127 2.361 7.936 359 1HB GLU 53 1HB GLU 53 4.353 4.282 8.686 360 2HB GLU 53 2HB GLU 53 4.615 4.129 6.953 361 1HG GLU 53 1HG GLU 53 2.966 6.085 8.449 362 2HG GLU 53 2HG GLU 53 4.235 6.377 7.283 363 H ASP 54 H ASP 54 2.756 3.717 10.194 364 HA ASP 54 HA ASP 54 -0.156 3.865 10.338 365 1HB ASP 54 1HB ASP 54 1.317 2.484 11.951 366 2HB ASP 54 2HB ASP 54 1.687 4.028 12.713 367 H ALA 55 H ALA 55 1.521 5.999 9.239 368 HA ALA 55 HA ALA 55 0.729 8.201 11.022 369 1HB ALA 55 1HB ALA 55 3.127 7.706 9.419 370 2HB ALA 55 2HB ALA 55 2.443 9.316 9.191 371 3HB ALA 55 3HB ALA 55 2.898 8.768 10.808 372 H TRP 56 H TRP 56 0.657 6.840 7.849 373 HA TRP 56 HA TRP 56 -0.885 9.098 6.826 374 1HB TRP 56 1HB TRP 56 0.570 6.899 5.417 375 2HB TRP 56 2HB TRP 56 -0.206 8.263 4.643 376 HD1 TRP 56 HD1 TRP 56 2.451 7.708 7.375 377 HE1 TRP 56 HE1 TRP 56 4.253 9.480 7.124 378 HE3 TRP 56 HE3 TRP 56 0.365 10.324 3.505 379 HZ2 TRP 56 HZ2 TRP 56 4.726 11.741 5.523 380 HZ3 TRP 56 HZ3 TRP 56 1.603 12.288 2.664 381 HH2 TRP 56 HH2 TRP 56 3.716 12.977 3.645 382 H VAL 57 H VAL 57 -1.696 6.244 8.133 383 HA VAL 57 HA VAL 57 -3.332 5.129 6.133 384 HB VAL 57 HB VAL 57 -3.789 5.044 9.110 385 1HG1 VAL 57 1HG1 VAL 57 -5.519 4.338 7.320 386 2HG1 VAL 57 2HG1 VAL 57 -4.473 2.929 7.130 387 3HG1 VAL 57 3HG1 VAL 57 -5.203 3.277 8.699 388 1HG2 VAL 57 1HG2 VAL 57 -1.500 4.440 8.079 389 2HG2 VAL 57 2HG2 VAL 57 -2.234 3.360 9.269 390 3HG2 VAL 57 3HG2 VAL 57 -2.327 2.979 7.546 391 H GLU 58 H GLU 58 -3.731 7.551 8.591 392 HA GLU 58 HA GLU 58 -6.512 7.994 7.950 393 1HB GLU 58 1HB GLU 58 -4.900 9.973 9.511 394 2HB GLU 58 2HB GLU 58 -6.567 9.465 9.745 395 1HG GLU 58 1HG GLU 58 -5.641 7.232 10.488 396 2HG GLU 58 2HG GLU 58 -4.060 8.012 10.523 397 H ILE 59 H ILE 59 -3.628 8.670 6.532 398 HA ILE 59 HA ILE 59 -4.465 11.261 5.395 399 HB ILE 59 HB ILE 59 -1.859 9.804 5.507 400 1HG1 ILE 59 1HG1 ILE 59 -2.154 12.732 5.756 401 2HG1 ILE 59 2HG1 ILE 59 -2.833 11.744 7.046 402 1HG2 ILE 59 1HG2 ILE 59 -2.741 11.651 3.356 403 2HG2 ILE 59 2HG2 ILE 59 -1.087 11.784 3.954 404 3HG2 ILE 59 3HG2 ILE 59 -1.661 10.258 3.280 405 1HD1 ILE 59 1HD1 ILE 59 -0.015 11.481 6.077 406 2HD1 ILE 59 2HD1 ILE 59 -0.494 12.551 7.394 407 3HD1 ILE 59 3HD1 ILE 59 -0.736 10.812 7.538 408 H VAL 60 H VAL 60 -3.639 7.972 4.643 409 HA VAL 60 HA VAL 60 -4.064 8.326 1.798 410 HB VAL 60 HB VAL 60 -3.500 5.794 3.330 411 1HG1 VAL 60 1HG1 VAL 60 -3.397 6.566 0.439 412 2HG1 VAL 60 2HG1 VAL 60 -2.432 5.229 1.064 413 3HG1 VAL 60 3HG1 VAL 60 -4.192 5.185 1.196 414 1HG2 VAL 60 1HG2 VAL 60 -1.827 8.112 2.896 415 2HG2 VAL 60 2HG2 VAL 60 -1.500 6.635 3.804 416 3HG2 VAL 60 3HG2 VAL 60 -1.160 6.693 2.077 417 H GLY 61 H GLY 61 -5.612 6.727 4.533 418 1HA GLY 61 1HA GLY 61 -7.885 6.273 4.794 419 2HA GLY 61 2HA GLY 61 -8.156 6.866 3.164 420 H GLU 62 H GLU 62 -7.197 4.078 5.078 421 HA GLU 62 HA GLU 62 -6.719 2.197 3.170 422 1HB GLU 62 1HB GLU 62 -8.354 1.732 5.668 423 2HB GLU 62 2HB GLU 62 -7.427 0.532 4.780 424 1HG GLU 62 1HG GLU 62 -5.418 1.281 5.589 425 2HG GLU 62 2HG GLU 62 -6.018 2.911 5.880 426 H ALA 63 H ALA 63 -8.395 0.237 3.012 427 HA ALA 63 HA ALA 63 -10.419 1.203 1.236 428 1HB ALA 63 1HB ALA 63 -9.224 -0.837 0.712 429 2HB ALA 63 2HB ALA 63 -9.863 -1.605 2.167 430 3HB ALA 63 3HB ALA 63 -10.956 -1.150 0.859 431 H ASN 64 H ASN 64 -12.601 1.033 1.372 432 HA ASN 64 HA ASN 64 -13.870 1.521 3.769 433 1HB ASN 64 1HB ASN 64 -15.886 0.538 2.192 434 2HB ASN 64 2HB ASN 64 -15.293 2.188 2.126 435 1HD2 ASN 64 2HD2 ASN 64 -14.530 2.908 0.254 436 2HD2 ASN 64 1HD2 ASN 64 -14.191 1.929 -1.128 437 HA PRO 65 HA PRO 65 -14.981 -2.333 5.561 438 1HB PRO 65 1HB PRO 65 -17.868 -1.926 5.153 439 2HB PRO 65 2HB PRO 65 -16.943 -1.973 6.657 440 1HG PRO 65 1HG PRO 65 -17.976 0.322 5.715 441 2HG PRO 65 2HG PRO 65 -16.417 0.280 6.561 442 1HD PRO 65 1HD PRO 65 -16.964 0.404 3.614 443 2HD PRO 65 2HD PRO 65 -15.762 1.307 4.558 444 H ASP 66 H ASP 66 -15.525 -1.845 2.332 445 HA ASP 66 HA ASP 66 -16.906 -4.354 1.823 446 1HB ASP 66 1HB ASP 66 -15.783 -2.326 -0.126 447 2HB ASP 66 2HB ASP 66 -16.832 -3.681 -0.529 448 H GLU 67 H GLU 67 -13.818 -2.817 0.906 449 HA GLU 67 HA GLU 67 -12.609 -5.014 -0.292 450 1HB GLU 67 1HB GLU 67 -11.640 -2.755 -0.321 451 2HB GLU 67 2HB GLU 67 -11.309 -2.872 1.402 452 1HG GLU 67 1HG GLU 67 -9.357 -3.263 -0.132 453 2HG GLU 67 2HG GLU 67 -9.652 -4.507 1.083 454 H ASN 68 H ASN 68 -12.647 -4.028 3.108 455 HA ASN 68 HA ASN 68 -11.059 -6.159 4.075 456 1HB ASN 68 1HB ASN 68 -11.336 -4.202 5.440 457 2HB ASN 68 2HB ASN 68 -13.089 -4.381 5.435 458 1HD2 ASN 68 1HD2 ASN 68 -13.144 -4.396 7.684 459 2HD2 ASN 68 2HD2 ASN 68 -12.643 -5.771 8.602 460 H ASP 69 H ASP 69 -14.500 -5.780 3.498 461 HA ASP 69 HA ASP 69 -15.397 -8.072 4.861 462 1HB ASP 69 1HB ASP 69 -16.523 -6.074 3.152 463 2HB ASP 69 2HB ASP 69 -17.034 -7.656 2.572 464 H LEU 70 H LEU 70 -14.316 -7.572 1.528 465 HA LEU 70 HA LEU 70 -14.880 -10.138 0.552 466 1HB LEU 70 1HB LEU 70 -14.381 -8.493 -1.048 467 2HB LEU 70 2HB LEU 70 -12.900 -8.024 -0.235 468 HG LEU 70 HG LEU 70 -12.969 -10.802 -1.230 469 1HD1 LEU 70 1HD1 LEU 70 -13.858 -8.749 -2.934 470 2HD1 LEU 70 2HD1 LEU 70 -12.199 -9.117 -3.407 471 3HD1 LEU 70 3HD1 LEU 70 -13.409 -10.399 -3.365 472 1HD2 LEU 70 1HD2 LEU 70 -10.995 -9.810 -0.175 473 2HD2 LEU 70 2HD2 LEU 70 -10.678 -10.260 -1.851 474 3HD2 LEU 70 3HD2 LEU 70 -10.951 -8.570 -1.428 475 H LEU 71 H LEU 71 -12.090 -8.842 2.261 476 HA LEU 71 HA LEU 71 -10.580 -11.288 2.037 477 1HB LEU 71 1HB LEU 71 -10.181 -8.659 3.415 478 2HB LEU 71 2HB LEU 71 -9.177 -10.029 3.851 479 HG LEU 71 HG LEU 71 -9.422 -9.102 1.002 480 1HD1 LEU 71 1HD1 LEU 71 -8.370 -7.569 3.079 481 2HD1 LEU 71 2HD1 LEU 71 -6.974 -8.302 2.288 482 3HD1 LEU 71 3HD1 LEU 71 -8.115 -7.341 1.349 483 1HD2 LEU 71 1HD2 LEU 71 -8.427 -11.385 1.871 484 2HD2 LEU 71 2HD2 LEU 71 -7.659 -10.486 0.562 485 3HD2 LEU 71 3HD2 LEU 71 -7.018 -10.376 2.201 486 H GLN 72 H GLN 72 -12.743 -9.790 4.323 487 HA GLN 72 HA GLN 72 -12.101 -11.384 6.573 488 1HB GLN 72 1HB GLN 72 -14.351 -9.596 5.795 489 2HB GLN 72 2HB GLN 72 -14.634 -10.734 7.106 490 1HG GLN 72 1HG GLN 72 -12.216 -9.639 7.780 491 2HG GLN 72 2HG GLN 72 -13.073 -8.277 7.058 492 1HE2 GLN 72 2HE2 GLN 72 -14.113 -11.023 9.054 493 2HE2 GLN 72 1HE2 GLN 72 -14.861 -10.067 10.284 494 H SER 73 H SER 73 -14.289 -11.788 3.862 495 HA SER 73 HA SER 73 -15.828 -13.913 4.804 496 1HB SER 73 1HB SER 73 -16.736 -13.798 2.752 497 2HB SER 73 2HB SER 73 -15.572 -12.520 2.397 498 HG SER 73 HG SER 73 -14.257 -13.975 1.427 499 H THR 74 H THR 74 -12.574 -13.827 3.547 500 HA THR 74 HA THR 74 -12.316 -16.634 3.125 501 HB THR 74 HB THR 74 -9.986 -16.208 2.779 502 HG1 THR 74 HG1 THR 74 -10.444 -13.731 4.078 503 1HG2 THR 74 1HG2 THR 74 -11.663 -15.152 1.145 504 2HG2 THR 74 2HG2 THR 74 -11.174 -13.622 1.872 505 3HG2 THR 74 3HG2 THR 74 -9.977 -14.643 1.078 506 H GLY 75 H GLY 75 -11.257 -14.446 5.726 507 1HA GLY 75 1HA GLY 75 -11.696 -15.388 8.013 508 2HA GLY 75 2HA GLY 75 -10.885 -16.833 7.430 509 H GLU 76 H GLU 76 -9.508 -13.993 6.206 510 HA GLU 76 HA GLU 76 -7.295 -14.237 8.124 511 1HB GLU 76 1HB GLU 76 -7.418 -13.264 5.275 512 2HB GLU 76 2HB GLU 76 -6.031 -12.946 6.309 513 1HG GLU 76 1HG GLU 76 -5.607 -15.294 6.557 514 2HG GLU 76 2HG GLU 76 -7.087 -15.692 5.686 515 HA PRO 77 HA PRO 77 -8.862 -10.360 9.786 516 1HB PRO 77 1HB PRO 77 -6.369 -10.564 11.371 517 2HB PRO 77 2HB PRO 77 -8.038 -10.387 11.919 518 1HG PRO 77 1HG PRO 77 -6.733 -12.707 12.175 519 2HG PRO 77 2HG PRO 77 -8.463 -12.657 11.787 520 1HD PRO 77 1HD PRO 77 -6.129 -13.178 9.991 521 2HD PRO 77 2HD PRO 77 -7.733 -13.941 10.006 522 H MET 78 H MET 78 -7.668 -8.227 10.376 523 HA MET 78 HA MET 78 -5.707 -7.666 8.248 524 1HB MET 78 1HB MET 78 -7.714 -5.749 9.444 525 2HB MET 78 2HB MET 78 -6.615 -5.414 8.113 526 1HG MET 78 1HG MET 78 -8.090 -7.709 7.406 527 2HG MET 78 2HG MET 78 -9.234 -6.530 8.049 528 1HE MET 78 1HE MET 78 -8.204 -3.795 7.385 529 2HE MET 78 2HE MET 78 -8.736 -3.461 5.736 530 3HE MET 78 3HE MET 78 -9.834 -4.238 6.878 531 H THR 79 H THR 79 -4.516 -5.497 8.779 532 HA THR 79 HA THR 79 -3.649 -5.602 11.595 533 HB THR 79 HB THR 79 -1.392 -5.236 10.937 534 HG1 THR 79 HG1 THR 79 -2.513 -4.181 8.739 535 1HG2 THR 79 1HG2 THR 79 -2.801 -7.470 9.889 536 2HG2 THR 79 2HG2 THR 79 -1.541 -7.000 8.748 537 3HG2 THR 79 3HG2 THR 79 -1.123 -7.362 10.422 538 H ALA 80 H ALA 80 -1.860 -3.403 11.366 539 HA ALA 80 HA ALA 80 -3.809 -1.245 11.446 540 1HB ALA 80 1HB ALA 80 -0.958 -1.476 12.361 541 2HB ALA 80 2HB ALA 80 -1.825 0.060 12.344 542 3HB ALA 80 3HB ALA 80 -2.414 -1.274 13.336 543 H GLY 81 H GLY 81 -4.009 0.299 9.966 544 1HA GLY 81 1HA GLY 81 -3.567 1.658 8.174 545 2HA GLY 81 2HA GLY 81 -1.873 1.244 8.349 546 H THR 82 H THR 82 -4.108 -1.358 7.945 547 HA THR 82 HA THR 82 -2.827 -2.239 5.575 548 HB THR 82 HB THR 82 -5.531 -3.281 6.176 549 HG1 THR 82 HG1 THR 82 -5.002 -3.082 8.259 550 1HG2 THR 82 1HG2 THR 82 -2.927 -4.316 5.307 551 2HG2 THR 82 2HG2 THR 82 -3.866 -5.374 6.360 552 3HG2 THR 82 3HG2 THR 82 -4.559 -4.797 4.844 553 H ARG 83 H ARG 83 -3.346 -1.998 3.462 554 HA ARG 83 HA ARG 83 -5.911 -1.199 2.538 555 1HB ARG 83 1HB ARG 83 -5.361 0.965 3.386 556 2HB ARG 83 2HB ARG 83 -3.747 0.897 2.693 557 1HG ARG 83 1HG ARG 83 -5.429 2.363 1.511 558 2HG ARG 83 2HG ARG 83 -4.552 1.204 0.509 559 1HD ARG 83 1HD ARG 83 -6.443 0.210 -0.111 560 2HD ARG 83 2HD ARG 83 -6.960 0.027 1.564 561 HE ARG 83 HE ARG 83 -7.540 2.583 1.144 562 1HH1 ARG 83 1HH1 ARG 83 -8.104 -0.208 -0.861 563 2HH1 ARG 83 2HH1 ARG 83 -9.535 0.441 -1.588 564 1HH2 ARG 83 1HH2 ARG 83 -9.419 3.452 0.192 565 2HH2 ARG 83 2HH2 ARG 83 -10.284 2.524 -0.989 566 H LEU 84 H LEU 84 -6.134 -1.603 0.390 567 HA LEU 84 HA LEU 84 -4.210 -3.120 -0.946 568 1HB LEU 84 1HB LEU 84 -6.743 -1.774 -1.727 569 2HB LEU 84 2HB LEU 84 -5.671 -2.283 -3.019 570 HG LEU 84 HG LEU 84 -7.579 -3.865 -2.111 571 1HD1 LEU 84 1HD1 LEU 84 -5.912 -4.317 -3.911 572 2HD1 LEU 84 2HD1 LEU 84 -4.823 -4.942 -2.671 573 3HD1 LEU 84 3HD1 LEU 84 -6.368 -5.737 -2.970 574 1HD2 LEU 84 1HD2 LEU 84 -6.319 -3.634 0.208 575 2HD2 LEU 84 2HD2 LEU 84 -7.123 -5.129 -0.272 576 3HD2 LEU 84 3HD2 LEU 84 -5.376 -4.968 -0.456 577 H SER 85 H SER 85 -2.314 -2.502 -1.694 578 HA SER 85 HA SER 85 -1.392 0.092 -1.909 579 1HB SER 85 1HB SER 85 0.262 -1.105 -3.631 580 2HB SER 85 2HB SER 85 0.353 -1.384 -1.895 581 HG SER 85 HG SER 85 0.329 -3.332 -3.130 582 H CYS 86 H CYS 86 -2.857 -1.931 -4.423 583 HA CYS 86 HA CYS 86 -2.545 0.204 -6.380 584 1HB CYS 86 1HB CYS 86 -3.031 -1.360 -8.025 585 2HB CYS 86 2HB CYS 86 -2.231 -2.344 -6.805 586 H GLN 87 H GLN 87 -4.353 0.618 -4.105 587 HA GLN 87 HA GLN 87 -6.863 0.900 -5.621 588 1HB GLN 87 1HB GLN 87 -6.618 -0.682 -3.465 589 2HB GLN 87 2HB GLN 87 -7.008 0.833 -2.664 590 1HG GLN 87 1HG GLN 87 -9.131 0.858 -3.437 591 2HG GLN 87 2HG GLN 87 -8.703 0.082 -4.961 592 1HE2 GLN 87 2HE2 GLN 87 -7.852 -2.252 -4.579 593 2HE2 GLN 87 1HE2 GLN 87 -8.851 -3.228 -3.563 594 H VAL 88 H VAL 88 -4.544 2.447 -3.502 595 HA VAL 88 HA VAL 88 -6.184 4.883 -3.540 596 HB VAL 88 HB VAL 88 -4.022 3.935 -1.679 597 1HG1 VAL 88 1HG1 VAL 88 -4.612 6.620 -2.456 598 2HG1 VAL 88 2HG1 VAL 88 -5.016 6.380 -0.754 599 3HG1 VAL 88 3HG1 VAL 88 -3.393 6.014 -1.338 600 1HG2 VAL 88 1HG2 VAL 88 -6.294 3.131 -1.274 601 2HG2 VAL 88 2HG2 VAL 88 -5.745 4.201 0.017 602 3HG2 VAL 88 3HG2 VAL 88 -6.872 4.798 -1.203 603 H PHE 89 H PHE 89 -5.518 6.574 -4.727 604 HA PHE 89 HA PHE 89 -2.789 6.500 -5.803 605 1HB PHE 89 1HB PHE 89 -5.210 7.910 -6.919 606 2HB PHE 89 2HB PHE 89 -3.621 7.821 -7.675 607 HD1 PHE 89 HD1 PHE 89 -3.565 4.849 -6.353 608 HD2 PHE 89 HD2 PHE 89 -5.943 6.943 -9.190 609 HE1 PHE 89 HE1 PHE 89 -4.189 2.698 -7.403 610 HE2 PHE 89 HE2 PHE 89 -6.575 4.808 -10.255 611 HZ PHE 89 HZ PHE 89 -5.696 2.679 -9.362 612 H ILE 90 H ILE 90 -1.438 8.126 -5.637 613 HA ILE 90 HA ILE 90 -1.367 9.858 -3.571 614 HB ILE 90 HB ILE 90 -0.134 10.071 -6.311 615 1HG1 ILE 90 1HG1 ILE 90 0.289 8.213 -4.426 616 2HG1 ILE 90 2HG1 ILE 90 1.566 8.798 -5.488 617 1HG2 ILE 90 1HG2 ILE 90 0.332 11.735 -3.865 618 2HG2 ILE 90 2HG2 ILE 90 1.571 11.490 -5.094 619 3HG2 ILE 90 3HG2 ILE 90 0.052 12.273 -5.514 620 1HD1 ILE 90 1HD1 ILE 90 2.180 10.464 -3.734 621 2HD1 ILE 90 2HD1 ILE 90 0.995 9.680 -2.677 622 3HD1 ILE 90 3HD1 ILE 90 2.390 8.772 -3.251 623 H ASP 91 H ASP 91 -1.407 12.208 -3.515 624 HA ASP 91 HA ASP 91 -2.656 13.906 -5.305 625 1HB ASP 91 1HB ASP 91 -4.904 13.762 -4.836 626 2HB ASP 91 2HB ASP 91 -4.504 12.164 -4.228 627 HA PRO 92 HA PRO 92 -1.044 16.693 -2.225 628 1HB PRO 92 1HB PRO 92 -3.534 18.294 -2.160 629 2HB PRO 92 2HB PRO 92 -1.908 18.773 -2.659 630 1HG PRO 92 1HG PRO 92 -3.842 18.440 -4.469 631 2HG PRO 92 2HG PRO 92 -2.177 17.927 -4.811 632 1HD PRO 92 1HD PRO 92 -4.523 16.267 -3.947 633 2HD PRO 92 2HD PRO 92 -3.322 15.931 -5.216 634 H SER 93 H SER 93 -2.192 14.426 -1.203 635 HA SER 93 HA SER 93 -3.085 15.273 1.439 636 1HB SER 93 1HB SER 93 -5.055 14.131 1.346 637 2HB SER 93 2HB SER 93 -4.852 14.263 -0.407 638 HG SER 93 HG SER 93 -5.065 12.073 0.920 639 H MET 94 H MET 94 -1.848 12.782 -0.707 640 HA MET 94 HA MET 94 -0.570 11.383 1.535 641 1HB MET 94 1HB MET 94 -1.434 10.467 -1.210 642 2HB MET 94 2HB MET 94 -0.404 9.505 -0.168 643 1HG MET 94 1HG MET 94 -2.099 8.985 1.260 644 2HG MET 94 2HG MET 94 -2.970 10.487 0.942 645 1HE MET 94 1HE MET 94 -1.543 8.728 -2.048 646 2HE MET 94 2HE MET 94 -1.732 7.258 -1.092 647 3HE MET 94 3HE MET 94 -2.734 7.515 -2.519 648 H ASP 95 H ASP 95 0.579 13.710 0.594 649 HA ASP 95 HA ASP 95 2.586 13.000 -1.297 650 1HB ASP 95 1HB ASP 95 2.554 15.649 0.067 651 2HB ASP 95 2HB ASP 95 2.880 15.280 -1.612 652 H GLY 96 H GLY 96 4.540 12.282 -0.715 653 1HA GLY 96 1HA GLY 96 6.425 11.971 0.632 654 2HA GLY 96 2HA GLY 96 5.741 13.118 1.782 655 H LEU 97 H LEU 97 3.854 10.534 0.502 656 HA LEU 97 HA LEU 97 3.209 9.581 3.083 657 1HB LEU 97 1HB LEU 97 1.488 8.527 2.107 658 2HB LEU 97 2HB LEU 97 1.882 9.602 0.783 659 HG LEU 97 HG LEU 97 3.445 7.294 0.384 660 1HD1 LEU 97 1HD1 LEU 97 1.602 6.428 2.067 661 2HD1 LEU 97 2HD1 LEU 97 0.625 6.388 0.599 662 3HD1 LEU 97 3HD1 LEU 97 2.121 5.461 0.687 663 1HD2 LEU 97 1HD2 LEU 97 2.133 8.961 -1.157 664 2HD2 LEU 97 2HD2 LEU 97 2.435 7.305 -1.681 665 3HD2 LEU 97 3HD2 LEU 97 0.860 7.748 -1.029 666 H ILE 98 H ILE 98 3.411 7.509 3.924 667 HA ILE 98 HA ILE 98 5.871 6.195 3.065 668 HB ILE 98 HB ILE 98 4.718 6.309 5.787 669 1HG1 ILE 98 1HG1 ILE 98 6.750 7.628 6.302 670 2HG1 ILE 98 2HG1 ILE 98 7.141 7.606 4.580 671 1HG2 ILE 98 1HG2 ILE 98 6.034 4.202 5.031 672 2HG2 ILE 98 2HG2 ILE 98 7.432 5.259 5.231 673 3HG2 ILE 98 3HG2 ILE 98 6.362 4.947 6.596 674 1HD1 ILE 98 1HD1 ILE 98 4.432 8.432 5.118 675 2HD1 ILE 98 2HD1 ILE 98 5.633 9.494 5.863 676 3HD1 ILE 98 3HD1 ILE 98 5.669 9.198 4.123 677 H VAL 99 H VAL 99 5.921 4.039 2.668 678 HA VAL 99 HA VAL 99 3.452 2.603 3.239 679 HB VAL 99 HB VAL 99 4.984 1.597 0.997 680 1HG1 VAL 99 1HG1 VAL 99 2.282 1.760 2.064 681 2HG1 VAL 99 2HG1 VAL 99 2.369 1.898 0.303 682 3HG1 VAL 99 3HG1 VAL 99 3.056 0.487 1.107 683 1HG2 VAL 99 1HG2 VAL 99 3.478 4.206 0.820 684 2HG2 VAL 99 2HG2 VAL 99 5.207 3.989 0.565 685 3HG2 VAL 99 3HG2 VAL 99 4.052 3.272 -0.561 686 H ARG 100 H ARG 100 3.531 0.454 3.873 687 HA ARG 100 HA ARG 100 6.195 -0.690 4.329 688 1HB ARG 100 1HB ARG 100 3.976 -0.445 6.361 689 2HB ARG 100 2HB ARG 100 5.347 -1.527 6.560 690 1HG ARG 100 1HG ARG 100 6.862 0.401 6.489 691 2HG ARG 100 2HG ARG 100 5.470 1.474 6.331 692 1HD ARG 100 1HD ARG 100 5.122 1.443 8.529 693 2HD ARG 100 2HD ARG 100 5.133 -0.320 8.557 694 HE ARG 100 HE ARG 100 7.723 0.993 8.442 695 1HH1 ARG 100 1HH1 ARG 100 5.282 -0.543 10.402 696 2HH1 ARG 100 2HH1 ARG 100 6.366 -0.885 11.709 697 1HH2 ARG 100 1HH2 ARG 100 9.154 0.539 10.157 698 2HH2 ARG 100 2HH2 ARG 100 8.564 -0.270 11.571 699 H VAL 101 H VAL 101 6.144 -3.038 4.795 700 HA VAL 101 HA VAL 101 3.788 -4.354 3.613 701 HB VAL 101 HB VAL 101 6.640 -5.226 3.150 702 1HG1 VAL 101 1HG1 VAL 101 4.905 -6.986 3.053 703 2HG1 VAL 101 2HG1 VAL 101 4.080 -6.067 1.794 704 3HG1 VAL 101 3HG1 VAL 101 5.695 -6.713 1.499 705 1HG2 VAL 101 1HG2 VAL 101 5.323 -3.037 1.995 706 2HG2 VAL 101 2HG2 VAL 101 6.827 -3.790 1.462 707 3HG2 VAL 101 3HG2 VAL 101 5.286 -4.318 0.785 708 HA PRO 102 HA PRO 102 3.907 -6.806 7.302 709 1HB PRO 102 1HB PRO 102 2.294 -8.827 6.485 710 2HB PRO 102 2HB PRO 102 1.681 -7.224 6.908 711 1HG PRO 102 1HG PRO 102 2.246 -8.389 4.211 712 2HG PRO 102 2HG PRO 102 0.861 -7.417 4.741 713 1HD PRO 102 1HD PRO 102 2.932 -6.364 3.345 714 2HD PRO 102 2HD PRO 102 2.017 -5.432 4.548 715 H LEU 103 H LEU 103 4.037 -9.299 7.776 716 HA LEU 103 HA LEU 103 6.573 -10.165 6.751 717 1HB LEU 103 1HB LEU 103 4.681 -11.072 8.852 718 2HB LEU 103 2HB LEU 103 5.781 -12.272 8.201 719 HG LEU 103 HG LEU 103 7.058 -9.741 8.997 720 1HD1 LEU 103 1HD1 LEU 103 5.588 -11.471 10.954 721 2HD1 LEU 103 2HD1 LEU 103 7.033 -10.576 11.424 722 3HD1 LEU 103 3HD1 LEU 103 5.616 -9.711 10.828 723 1HD2 LEU 103 1HD2 LEU 103 7.602 -12.668 9.101 724 2HD2 LEU 103 2HD2 LEU 103 8.588 -11.359 8.449 725 3HD2 LEU 103 3HD2 LEU 103 8.478 -11.594 10.194 726 HA PRO 104 HA PRO 104 5.143 -12.841 3.550 727 1HB PRO 104 1HB PRO 104 7.182 -14.596 3.400 728 2HB PRO 104 2HB PRO 104 7.357 -12.908 2.905 729 1HG PRO 104 1HG PRO 104 8.187 -14.228 5.460 730 2HG PRO 104 2HG PRO 104 9.069 -13.051 4.471 731 1HD PRO 104 1HD PRO 104 7.687 -12.381 6.727 732 2HD PRO 104 2HD PRO 104 7.942 -11.265 5.370 733 H ALA 105 H ALA 105 3.326 -13.887 4.317 734 HA ALA 105 HA ALA 105 3.404 -16.632 4.682 735 1HB ALA 105 1HB ALA 105 3.597 -15.082 7.212 736 2HB ALA 105 2HB ALA 105 2.597 -16.535 7.190 737 3HB ALA 105 3HB ALA 105 4.310 -16.636 6.779 Start of MODEL 8 1 2H PRO 1 2H PRO 1 3.717 14.845 -5.495 2 1H PRO 1 1H PRO 1 4.499 13.410 -5.711 3 HA PRO 1 HA PRO 1 4.346 14.955 -3.522 4 1HB PRO 1 1HB PRO 1 3.454 12.244 -2.743 5 2HB PRO 1 2HB PRO 1 3.111 13.790 -2.002 6 1HG PRO 1 1HG PRO 1 1.246 12.673 -3.378 7 2HG PRO 1 2HG PRO 1 1.574 14.393 -3.654 8 1HD PRO 1 1HD PRO 1 2.602 12.036 -5.225 9 2HD PRO 1 2HD PRO 1 1.720 13.438 -5.829 10 H ARG 2 H ARG 2 5.173 13.246 -1.659 11 HA ARG 2 HA ARG 2 7.579 11.955 -2.822 12 1HB ARG 2 1HB ARG 2 8.585 13.619 -1.591 13 2HB ARG 2 2HB ARG 2 7.219 13.780 -0.498 14 1HG ARG 2 1HG ARG 2 7.921 11.958 0.814 15 2HG ARG 2 2HG ARG 2 9.076 11.424 -0.409 16 1HD ARG 2 1HD ARG 2 10.626 12.584 0.679 17 2HD ARG 2 2HD ARG 2 9.798 14.044 0.138 18 HE ARG 2 HE ARG 2 8.457 13.308 2.392 19 1HH1 ARG 2 1HH1 ARG 2 11.795 13.946 1.633 20 2HH1 ARG 2 2HH1 ARG 2 12.175 14.549 3.212 21 1HH2 ARG 2 1HH2 ARG 2 8.946 14.098 4.476 22 2HH2 ARG 2 2HH2 ARG 2 10.555 14.634 4.829 23 H VAL 3 H VAL 3 8.337 10.021 -1.346 24 HA VAL 3 HA VAL 3 6.253 9.053 0.377 25 HB VAL 3 HB VAL 3 6.389 8.321 -2.445 26 1HG1 VAL 3 1HG1 VAL 3 7.234 6.260 -1.149 27 2HG1 VAL 3 2HG1 VAL 3 5.558 6.137 -0.627 28 3HG1 VAL 3 3HG1 VAL 3 5.956 6.121 -2.356 29 1HG2 VAL 3 1HG2 VAL 3 4.429 8.486 -0.250 30 2HG2 VAL 3 2HG2 VAL 3 4.413 9.219 -1.863 31 3HG2 VAL 3 3HG2 VAL 3 4.076 7.496 -1.674 32 H VAL 4 H VAL 4 6.669 6.734 0.996 33 HA VAL 4 HA VAL 4 9.398 5.898 0.756 34 HB VAL 4 HB VAL 4 8.437 7.052 3.341 35 1HG1 VAL 4 1HG1 VAL 4 9.993 4.612 2.993 36 2HG1 VAL 4 2HG1 VAL 4 10.852 5.841 3.924 37 3HG1 VAL 4 3HG1 VAL 4 9.263 5.285 4.453 38 1HG2 VAL 4 1HG2 VAL 4 10.701 7.388 1.453 39 2HG2 VAL 4 2HG2 VAL 4 9.727 8.609 2.274 40 3HG2 VAL 4 3HG2 VAL 4 10.978 7.736 3.161 41 H PHE 5 H PHE 5 9.200 3.930 0.315 42 HA PHE 5 HA PHE 5 7.076 2.276 1.467 43 1HB PHE 5 1HB PHE 5 9.098 1.875 -0.722 44 2HB PHE 5 2HB PHE 5 8.086 0.574 -0.132 45 HD1 PHE 5 HD1 PHE 5 6.717 4.040 -0.566 46 HD2 PHE 5 HD2 PHE 5 7.167 0.139 -2.204 47 HE1 PHE 5 HE1 PHE 5 5.105 4.567 -2.314 48 HE2 PHE 5 HE2 PHE 5 5.562 0.644 -3.921 49 HZ PHE 5 HZ PHE 5 4.485 2.861 -3.988 50 H ILE 6 H ILE 6 7.909 -0.076 1.836 51 HA ILE 6 HA ILE 6 10.523 -0.280 2.992 52 HB ILE 6 HB ILE 6 8.283 -1.169 4.727 53 1HG1 ILE 6 1HG1 ILE 6 7.990 1.284 4.022 54 2HG1 ILE 6 2HG1 ILE 6 8.012 0.940 5.745 55 1HG2 ILE 6 1HG2 ILE 6 11.154 -0.692 4.831 56 2HG2 ILE 6 2HG2 ILE 6 10.271 -0.185 6.271 57 3HG2 ILE 6 3HG2 ILE 6 10.166 -1.854 5.709 58 1HD1 ILE 6 1HD1 ILE 6 10.579 1.606 4.458 59 2HD1 ILE 6 2HD1 ILE 6 9.402 2.904 4.642 60 3HD1 ILE 6 3HD1 ILE 6 9.972 2.023 6.060 61 H ASP 7 H ASP 7 11.023 -2.542 3.595 62 HA ASP 7 HA ASP 7 9.247 -4.639 2.945 63 1HB ASP 7 1HB ASP 7 10.074 -3.536 0.682 64 2HB ASP 7 2HB ASP 7 11.466 -4.577 0.967 65 H GLU 8 H GLU 8 10.359 -6.750 2.858 66 HA GLU 8 HA GLU 8 12.311 -6.895 4.963 67 1HB GLU 8 1HB GLU 8 10.573 -8.507 5.073 68 2HB GLU 8 2HB GLU 8 10.775 -8.952 3.384 69 1HG GLU 8 1HG GLU 8 12.428 -10.392 3.827 70 2HG GLU 8 2HG GLU 8 13.147 -9.344 5.046 71 H GLN 9 H GLN 9 12.552 -6.331 1.753 72 HA GLN 9 HA GLN 9 14.859 -8.022 1.240 73 1HB GLN 9 1HB GLN 9 13.035 -6.363 -0.368 74 2HB GLN 9 2HB GLN 9 14.714 -6.305 -0.884 75 1HG GLN 9 1HG GLN 9 13.395 -8.016 -2.058 76 2HG GLN 9 2HG GLN 9 14.767 -8.684 -1.174 77 1HE2 GLN 9 2HE2 GLN 9 11.395 -8.708 -1.604 78 2HE2 GLN 9 1HE2 GLN 9 11.007 -9.854 -0.370 79 H SER 10 H SER 10 14.049 -4.667 1.861 80 HA SER 10 HA SER 10 16.892 -4.144 2.356 81 1HB SER 10 1HB SER 10 17.081 -2.680 0.680 82 2HB SER 10 2HB SER 10 15.450 -3.101 0.156 83 HG SER 10 HG SER 10 16.269 -1.013 1.873 84 H GLY 11 H GLY 11 13.823 -4.138 3.569 85 1HA GLY 11 1HA GLY 11 12.911 -3.253 5.482 86 2HA GLY 11 2HA GLY 11 14.544 -2.808 5.933 87 H GLU 12 H GLU 12 13.390 -1.571 2.977 88 HA GLU 12 HA GLU 12 11.944 0.659 3.645 89 1HB GLU 12 1HB GLU 12 13.540 1.580 5.065 90 2HB GLU 12 2HB GLU 12 14.884 1.058 4.058 91 1HG GLU 12 1HG GLU 12 14.309 2.713 2.382 92 2HG GLU 12 2HG GLU 12 12.906 3.207 3.327 93 H TYR 13 H TYR 13 11.462 1.882 1.923 94 HA TYR 13 HA TYR 13 13.082 1.700 -0.479 95 1HB TYR 13 1HB TYR 13 10.307 0.605 -0.182 96 2HB TYR 13 2HB TYR 13 10.934 1.095 -1.756 97 HD1 TYR 13 HD1 TYR 13 11.682 -1.071 1.165 98 HD2 TYR 13 HD2 TYR 13 12.269 -0.345 -2.974 99 HE1 TYR 13 HE1 TYR 13 12.852 -3.237 0.966 100 HE2 TYR 13 HE2 TYR 13 13.415 -2.489 -3.217 101 HH TYR 13 HH TYR 13 14.733 -4.061 -1.670 102 H ALA 14 H ALA 14 13.163 3.924 0.661 103 HA ALA 14 HA ALA 14 11.128 5.782 0.622 104 1HB ALA 14 1HB ALA 14 13.999 5.829 0.800 105 2HB ALA 14 2HB ALA 14 13.408 7.198 -0.141 106 3HB ALA 14 3HB ALA 14 12.814 6.933 1.498 107 H VAL 15 H VAL 15 10.199 7.100 -0.844 108 HA VAL 15 HA VAL 15 11.225 7.408 -3.497 109 HB VAL 15 HB VAL 15 10.168 5.115 -3.390 110 1HG1 VAL 15 1HG1 VAL 15 7.659 6.767 -3.215 111 2HG1 VAL 15 2HG1 VAL 15 7.689 5.133 -3.909 112 3HG1 VAL 15 3HG1 VAL 15 8.163 5.378 -2.240 113 1HG2 VAL 15 1HG2 VAL 15 10.240 7.104 -5.400 114 2HG2 VAL 15 2HG2 VAL 15 10.348 5.363 -5.586 115 3HG2 VAL 15 3HG2 VAL 15 8.774 6.154 -5.614 116 H ASP 16 H ASP 16 8.765 7.865 -4.695 117 HA ASP 16 HA ASP 16 7.373 9.897 -3.252 118 1HB ASP 16 1HB ASP 16 8.524 10.623 -5.886 119 2HB ASP 16 2HB ASP 16 7.935 11.682 -4.616 120 H ALA 17 H ALA 17 5.606 10.683 -4.576 121 HA ALA 17 HA ALA 17 4.911 8.931 -6.805 122 1HB ALA 17 1HB ALA 17 4.138 8.382 -4.313 123 2HB ALA 17 2HB ALA 17 2.815 9.456 -4.844 124 3HB ALA 17 3HB ALA 17 3.185 7.979 -5.756 125 H GLN 18 H GLN 18 2.441 9.674 -7.327 126 HA GLN 18 HA GLN 18 2.315 12.592 -7.381 127 1HB GLN 18 1HB GLN 18 1.983 10.944 -9.885 128 2HB GLN 18 2HB GLN 18 1.931 12.695 -9.754 129 1HG GLN 18 1HG GLN 18 4.359 11.050 -9.109 130 2HG GLN 18 2HG GLN 18 4.038 11.758 -10.691 131 1HE2 GLN 18 2HE2 GLN 18 6.067 12.864 -10.357 132 2HE2 GLN 18 1HE2 GLN 18 6.099 14.319 -9.426 133 H ASP 19 H ASP 19 0.273 13.374 -7.225 134 HA ASP 19 HA ASP 19 -1.807 11.885 -6.257 135 1HB ASP 19 1HB ASP 19 -2.634 14.060 -8.076 136 2HB ASP 19 2HB ASP 19 -3.120 13.743 -6.431 137 H GLY 20 H GLY 20 -2.494 10.069 -7.056 138 1HA GLY 20 1HA GLY 20 -4.174 9.230 -8.690 139 2HA GLY 20 2HA GLY 20 -3.162 9.965 -9.929 140 H GLN 21 H GLN 21 -0.937 8.935 -7.836 141 HA GLN 21 HA GLN 21 -0.680 6.340 -9.195 142 1HB GLN 21 1HB GLN 21 1.380 8.068 -7.816 143 2HB GLN 21 2HB GLN 21 1.709 6.468 -8.465 144 1HG GLN 21 1HG GLN 21 1.450 7.177 -10.670 145 2HG GLN 21 2HG GLN 21 0.603 8.646 -10.190 146 1HE2 GLN 21 2HE2 GLN 21 3.214 8.020 -8.174 147 2HE2 GLN 21 1HE2 GLN 21 4.345 9.093 -8.895 148 H SER 22 H SER 22 -0.463 4.466 -8.017 149 HA SER 22 HA SER 22 -1.309 4.674 -5.251 150 1HB SER 22 1HB SER 22 -1.888 2.380 -5.384 151 2HB SER 22 2HB SER 22 -2.282 3.029 -6.975 152 HG SER 22 HG SER 22 -0.734 1.871 -7.840 153 H LEU 23 H LEU 23 -0.287 3.098 -3.665 154 HA LEU 23 HA LEU 23 2.562 3.623 -3.607 155 1HB LEU 23 1HB LEU 23 2.454 3.209 -1.379 156 2HB LEU 23 2HB LEU 23 0.766 3.589 -1.660 157 HG LEU 23 HG LEU 23 2.038 0.924 -1.146 158 1HD1 LEU 23 1HD1 LEU 23 0.974 2.560 0.596 159 2HD1 LEU 23 2HD1 LEU 23 -0.550 1.931 -0.030 160 3HD1 LEU 23 3HD1 LEU 23 0.632 0.832 0.683 161 1HD2 LEU 23 1HD2 LEU 23 0.091 1.333 -3.124 162 2HD2 LEU 23 2HD2 LEU 23 0.581 -0.197 -2.399 163 3HD2 LEU 23 3HD2 LEU 23 -0.773 0.706 -1.722 164 H MET 24 H MET 24 0.938 1.472 -5.296 165 HA MET 24 HA MET 24 2.731 -0.780 -4.742 166 1HB MET 24 1HB MET 24 1.025 -2.137 -5.297 167 2HB MET 24 2HB MET 24 -0.004 -0.714 -5.291 168 1HG MET 24 1HG MET 24 0.077 -0.499 -7.612 169 2HG MET 24 2HG MET 24 1.497 -1.532 -7.753 170 1HE MET 24 1HE MET 24 1.174 -3.442 -9.095 171 2HE MET 24 2HE MET 24 -0.345 -4.292 -9.375 172 3HE MET 24 3HE MET 24 -0.172 -2.609 -9.873 173 H GLU 25 H GLU 25 1.676 1.534 -7.134 174 HA GLU 25 HA GLU 25 3.392 0.540 -9.212 175 1HB GLU 25 1HB GLU 25 1.265 1.748 -9.696 176 2HB GLU 25 2HB GLU 25 1.982 3.210 -9.030 177 1HG GLU 25 1HG GLU 25 2.170 3.380 -11.369 178 2HG GLU 25 2HG GLU 25 3.782 2.990 -10.770 179 H VAL 26 H VAL 26 3.598 3.150 -6.790 180 HA VAL 26 HA VAL 26 5.851 4.413 -7.801 181 HB VAL 26 HB VAL 26 6.082 3.790 -4.929 182 1HG1 VAL 26 1HG1 VAL 26 6.320 6.124 -6.736 183 2HG1 VAL 26 2HG1 VAL 26 6.249 6.339 -4.987 184 3HG1 VAL 26 3HG1 VAL 26 7.506 5.354 -5.704 185 1HG2 VAL 26 1HG2 VAL 26 3.640 3.970 -5.178 186 2HG2 VAL 26 2HG2 VAL 26 4.394 5.213 -4.179 187 3HG2 VAL 26 3HG2 VAL 26 3.887 5.592 -5.830 188 H ALA 27 H ALA 27 5.627 1.711 -5.595 189 HA ALA 27 HA ALA 27 7.998 0.827 -5.076 190 1HB ALA 27 1HB ALA 27 5.534 -0.444 -5.420 191 2HB ALA 27 2HB ALA 27 6.717 -1.441 -6.268 192 3HB ALA 27 3HB ALA 27 6.945 -1.060 -4.557 193 H THR 28 H THR 28 6.619 -0.585 -7.995 194 HA THR 28 HA THR 28 8.929 -1.573 -9.071 195 HB THR 28 HB THR 28 7.701 -2.075 -10.894 196 HG1 THR 28 HG1 THR 28 6.488 -0.514 -12.045 197 1HG2 THR 28 1HG2 THR 28 6.033 -2.243 -9.007 198 2HG2 THR 28 2HG2 THR 28 5.364 -0.724 -9.603 199 3HG2 THR 28 3HG2 THR 28 5.379 -2.150 -10.642 200 H GLN 29 H GLN 29 7.773 1.698 -9.039 201 HA GLN 29 HA GLN 29 9.720 2.658 -10.934 202 1HB GLN 29 1HB GLN 29 8.108 4.290 -8.978 203 2HB GLN 29 2HB GLN 29 8.882 4.858 -10.451 204 1HG GLN 29 1HG GLN 29 7.183 2.786 -11.243 205 2HG GLN 29 2HG GLN 29 6.269 3.739 -10.075 206 1HE2 GLN 29 2HE2 GLN 29 5.225 3.793 -12.443 207 2HE2 GLN 29 1HE2 GLN 29 5.573 5.249 -13.304 208 H ASN 30 H ASN 30 9.500 2.318 -7.489 209 HA ASN 30 HA ASN 30 11.911 3.862 -6.984 210 1HB ASN 30 1HB ASN 30 10.836 2.227 -4.796 211 2HB ASN 30 2HB ASN 30 11.191 3.935 -4.830 212 1HD2 ASN 30 2HD2 ASN 30 8.816 2.427 -3.850 213 2HD2 ASN 30 1HD2 ASN 30 7.486 3.113 -4.651 214 H GLY 31 H GLY 31 11.490 0.940 -8.263 215 1HA GLY 31 1HA GLY 31 13.050 -0.765 -8.582 216 2HA GLY 31 2HA GLY 31 14.066 -0.024 -7.351 217 H VAL 32 H VAL 32 11.139 -0.096 -6.007 218 HA VAL 32 HA VAL 32 11.619 -1.891 -4.018 219 HB VAL 32 HB VAL 32 8.894 -1.309 -5.105 220 1HG1 VAL 32 1HG1 VAL 32 9.873 -1.717 -2.304 221 2HG1 VAL 32 2HG1 VAL 32 8.244 -1.191 -2.745 222 3HG1 VAL 32 3HG1 VAL 32 8.810 -2.784 -3.237 223 1HG2 VAL 32 1HG2 VAL 32 10.772 0.511 -3.670 224 2HG2 VAL 32 2HG2 VAL 32 9.802 0.823 -5.111 225 3HG2 VAL 32 3HG2 VAL 32 9.023 0.706 -3.532 226 HA PRO 33 HA PRO 33 11.110 -5.904 -5.701 227 1HB PRO 33 1HB PRO 33 9.946 -6.860 -3.185 228 2HB PRO 33 2HB PRO 33 11.543 -7.177 -3.872 229 1HG PRO 33 1HG PRO 33 11.261 -5.629 -1.686 230 2HG PRO 33 2HG PRO 33 12.477 -5.263 -2.929 231 1HD PRO 33 1HD PRO 33 9.725 -4.120 -2.598 232 2HD PRO 33 2HD PRO 33 11.251 -3.255 -2.781 233 H GLY 34 H GLY 34 8.498 -4.061 -5.446 234 1HA GLY 34 1HA GLY 34 6.203 -4.375 -5.704 235 2HA GLY 34 2HA GLY 34 6.792 -5.315 -7.067 236 H ILE 35 H ILE 35 6.144 -5.581 -3.597 237 HA ILE 35 HA ILE 35 6.015 -8.417 -3.594 238 HB ILE 35 HB ILE 35 4.807 -6.528 -1.576 239 1HG1 ILE 35 1HG1 ILE 35 7.282 -6.200 -2.138 240 2HG1 ILE 35 2HG1 ILE 35 6.881 -6.479 -0.449 241 1HG2 ILE 35 1HG2 ILE 35 5.065 -9.422 -1.761 242 2HG2 ILE 35 2HG2 ILE 35 5.730 -8.761 -0.267 243 3HG2 ILE 35 3HG2 ILE 35 4.052 -8.438 -0.703 244 1HD1 ILE 35 1HD1 ILE 35 7.661 -8.757 -2.214 245 2HD1 ILE 35 2HD1 ILE 35 8.883 -7.715 -1.489 246 3HD1 ILE 35 3HD1 ILE 35 7.768 -8.612 -0.460 247 H VAL 36 H VAL 36 4.485 -7.989 -5.675 248 HA VAL 36 HA VAL 36 2.296 -9.412 -5.606 249 HB VAL 36 HB VAL 36 1.246 -8.373 -3.762 250 1HG1 VAL 36 1HG1 VAL 36 2.427 -5.981 -4.824 251 2HG1 VAL 36 2HG1 VAL 36 0.712 -5.725 -4.506 252 3HG1 VAL 36 3HG1 VAL 36 1.773 -6.287 -3.214 253 1HG2 VAL 36 1HG2 VAL 36 -0.092 -8.782 -5.966 254 2HG2 VAL 36 2HG2 VAL 36 -0.853 -7.949 -4.611 255 3HG2 VAL 36 3HG2 VAL 36 -0.232 -7.024 -5.978 256 H ALA 37 H ALA 37 1.164 -9.399 -7.506 257 HA ALA 37 HA ALA 37 0.713 -7.202 -9.171 258 1HB ALA 37 1HB ALA 37 3.260 -8.693 -9.739 259 2HB ALA 37 2HB ALA 37 2.402 -7.777 -10.977 260 3HB ALA 37 3HB ALA 37 3.026 -6.956 -9.547 261 H GLU 38 H GLU 38 -0.858 -9.270 -8.436 262 HA GLU 38 HA GLU 38 -0.879 -11.332 -10.455 263 1HB GLU 38 1HB GLU 38 -1.960 -11.031 -7.880 264 2HB GLU 38 2HB GLU 38 -3.342 -11.123 -8.962 265 1HG GLU 38 1HG GLU 38 -3.045 -13.297 -9.341 266 2HG GLU 38 2HG GLU 38 -1.304 -13.113 -9.550 267 H CYS 39 H CYS 39 -3.247 -8.856 -9.466 268 HA CYS 39 HA CYS 39 -4.465 -8.994 -12.116 269 1HB CYS 39 1HB CYS 39 -6.360 -7.988 -11.180 270 2HB CYS 39 2HB CYS 39 -5.760 -9.003 -9.876 271 H GLY 40 H GLY 40 -2.749 -6.780 -10.000 272 1HA GLY 40 1HA GLY 40 -2.124 -4.562 -10.325 273 2HA GLY 40 2HA GLY 40 -1.356 -5.312 -11.713 274 H GLY 41 H GLY 41 -4.624 -4.186 -10.793 275 1HA GLY 41 1HA GLY 41 -5.583 -2.260 -11.905 276 2HA GLY 41 2HA GLY 41 -4.683 -2.707 -13.343 277 H SER 42 H SER 42 -5.624 -5.606 -12.512 278 HA SER 42 HA SER 42 -7.972 -5.496 -14.218 279 1HB SER 42 1HB SER 42 -6.159 -7.227 -14.506 280 2HB SER 42 2HB SER 42 -6.705 -7.952 -12.997 281 HG SER 42 HG SER 42 -8.869 -7.678 -14.373 282 H CYS 43 H CYS 43 -7.248 -5.645 -10.886 283 HA CYS 43 HA CYS 43 -8.515 -5.883 -9.009 284 1HB CYS 43 1HB CYS 43 -9.775 -4.041 -10.019 285 2HB CYS 43 2HB CYS 43 -10.751 -5.190 -10.931 286 HG CYS 43 HG CYS 43 -11.448 -4.225 -8.258 287 H VAL 44 H VAL 44 -7.846 -8.262 -9.623 288 HA VAL 44 HA VAL 44 -10.296 -9.855 -9.373 289 HB VAL 44 HB VAL 44 -9.600 -11.512 -10.919 290 1HG1 VAL 44 1HG1 VAL 44 -10.510 -9.253 -11.780 291 2HG1 VAL 44 2HG1 VAL 44 -8.876 -9.010 -12.396 292 3HG1 VAL 44 3HG1 VAL 44 -9.826 -10.392 -12.939 293 1HG2 VAL 44 1HG2 VAL 44 -6.970 -10.116 -10.770 294 2HG2 VAL 44 2HG2 VAL 44 -7.340 -11.840 -10.696 295 3HG2 VAL 44 3HG2 VAL 44 -7.391 -10.993 -12.242 296 H CYS 45 H CYS 45 -7.625 -8.922 -7.884 297 HA CYS 45 HA CYS 45 -7.303 -11.512 -6.533 298 1HB CYS 45 1HB CYS 45 -5.032 -11.513 -6.672 299 2HB CYS 45 2HB CYS 45 -5.352 -10.571 -8.120 300 H ALA 46 H ALA 46 -5.870 -11.001 -4.418 301 HA ALA 46 HA ALA 46 -6.648 -8.510 -3.156 302 1HB ALA 46 1HB ALA 46 -8.255 -10.824 -2.846 303 2HB ALA 46 2HB ALA 46 -7.434 -10.527 -1.314 304 3HB ALA 46 3HB ALA 46 -8.417 -9.260 -2.049 305 H THR 47 H THR 47 -4.254 -10.326 -3.836 306 HA THR 47 HA THR 47 -3.122 -10.788 -1.195 307 HB THR 47 HB THR 47 -1.571 -11.147 -3.728 308 HG1 THR 47 HG1 THR 47 -3.537 -12.973 -2.815 309 1HG2 THR 47 1HG2 THR 47 -1.153 -11.871 -1.077 310 2HG2 THR 47 2HG2 THR 47 -1.606 -13.365 -1.899 311 3HG2 THR 47 3HG2 THR 47 -0.245 -12.411 -2.491 312 H CYS 48 H CYS 48 -3.656 -8.089 -2.608 313 HA CYS 48 HA CYS 48 -0.941 -6.980 -2.411 314 1HB CYS 48 1HB CYS 48 -1.774 -5.079 -3.669 315 2HB CYS 48 2HB CYS 48 -2.186 -6.564 -4.518 316 H ARG 49 H ARG 49 -2.242 -7.662 -0.035 317 HA ARG 49 HA ARG 49 -3.484 -5.304 1.062 318 1HB ARG 49 1HB ARG 49 -2.714 -7.020 3.174 319 2HB ARG 49 2HB ARG 49 -4.321 -6.771 2.511 320 1HG ARG 49 1HG ARG 49 -3.858 -8.552 0.852 321 2HG ARG 49 2HG ARG 49 -2.312 -8.841 1.654 322 1HD ARG 49 1HD ARG 49 -5.045 -9.088 2.909 323 2HD ARG 49 2HD ARG 49 -4.005 -10.423 2.417 324 HE ARG 49 HE ARG 49 -2.868 -8.577 4.343 325 1HH1 ARG 49 1HH1 ARG 49 -4.557 -11.572 3.791 326 2HH1 ARG 49 2HH1 ARG 49 -4.133 -12.245 5.330 327 1HH2 ARG 49 1HH2 ARG 49 -2.308 -9.451 6.374 328 2HH2 ARG 49 2HH2 ARG 49 -2.855 -11.038 6.799 329 H ILE 50 H ILE 50 -1.278 -4.264 0.205 330 HA ILE 50 HA ILE 50 1.049 -4.442 1.732 331 HB ILE 50 HB ILE 50 0.583 -3.119 -0.462 332 1HG1 ILE 50 1HG1 ILE 50 2.380 -1.385 0.948 333 2HG1 ILE 50 2HG1 ILE 50 2.611 -3.036 1.516 334 1HG2 ILE 50 1HG2 ILE 50 -1.115 -1.642 0.593 335 2HG2 ILE 50 2HG2 ILE 50 0.179 -0.904 1.537 336 3HG2 ILE 50 3HG2 ILE 50 0.185 -0.772 -0.222 337 1HD1 ILE 50 1HD1 ILE 50 2.602 -2.297 -1.392 338 2HD1 ILE 50 2HD1 ILE 50 4.059 -2.322 -0.398 339 3HD1 ILE 50 3HD1 ILE 50 3.138 -3.804 -0.650 340 H GLU 51 H GLU 51 1.819 -2.352 3.033 341 HA GLU 51 HA GLU 51 -0.335 -1.623 4.893 342 1HB GLU 51 1HB GLU 51 2.163 -3.095 5.473 343 2HB GLU 51 2HB GLU 51 1.703 -1.852 6.627 344 1HG GLU 51 1HG GLU 51 -0.054 -3.022 7.398 345 2HG GLU 51 2HG GLU 51 -0.446 -3.689 5.813 346 H ILE 52 H ILE 52 -0.503 0.490 5.013 347 HA ILE 52 HA ILE 52 1.548 2.324 4.217 348 HB ILE 52 HB ILE 52 -1.031 2.762 5.755 349 1HG1 ILE 52 1HG1 ILE 52 -1.096 1.817 3.366 350 2HG1 ILE 52 2HG1 ILE 52 -2.078 3.237 3.715 351 1HG2 ILE 52 1HG2 ILE 52 1.122 4.576 5.110 352 2HG2 ILE 52 2HG2 ILE 52 -0.402 5.101 4.396 353 3HG2 ILE 52 3HG2 ILE 52 -0.296 4.821 6.132 354 1HD1 ILE 52 1HD1 ILE 52 0.670 3.423 2.540 355 2HD1 ILE 52 2HD1 ILE 52 -0.790 3.265 1.556 356 3HD1 ILE 52 3HD1 ILE 52 -0.584 4.665 2.611 357 H GLU 53 H GLU 53 2.865 3.705 5.674 358 HA GLU 53 HA GLU 53 3.662 2.336 8.024 359 1HB GLU 53 1HB GLU 53 4.886 4.279 8.692 360 2HB GLU 53 2HB GLU 53 4.954 4.210 6.935 361 1HG GLU 53 1HG GLU 53 3.360 5.999 8.683 362 2HG GLU 53 2HG GLU 53 4.511 6.426 7.441 363 H ASP 54 H ASP 54 3.453 3.610 10.341 364 HA ASP 54 HA ASP 54 0.570 3.627 10.761 365 1HB ASP 54 1HB ASP 54 1.223 3.647 13.223 366 2HB ASP 54 2HB ASP 54 1.675 2.213 12.308 367 H ALA 55 H ALA 55 2.009 5.850 9.545 368 HA ALA 55 HA ALA 55 1.297 7.989 11.436 369 1HB ALA 55 1HB ALA 55 3.672 7.577 9.970 370 2HB ALA 55 2HB ALA 55 2.851 8.952 9.230 371 3HB ALA 55 3HB ALA 55 3.236 8.974 10.954 372 H TRP 56 H TRP 56 1.024 6.697 8.237 373 HA TRP 56 HA TRP 56 -0.669 8.919 7.427 374 1HB TRP 56 1HB TRP 56 0.706 6.797 5.832 375 2HB TRP 56 2HB TRP 56 -0.195 8.142 5.167 376 HD1 TRP 56 HD1 TRP 56 2.708 7.671 7.654 377 HE1 TRP 56 HE1 TRP 56 4.410 9.520 7.272 378 HE3 TRP 56 HE3 TRP 56 0.206 10.229 3.993 379 HZ2 TRP 56 HZ2 TRP 56 4.655 11.810 5.658 380 HZ3 TRP 56 HZ3 TRP 56 1.289 12.242 3.072 381 HH2 TRP 56 HH2 TRP 56 3.441 13.019 3.876 382 H VAL 57 H VAL 57 -1.245 5.921 8.655 383 HA VAL 57 HA VAL 57 -3.134 4.943 6.824 384 HB VAL 57 HB VAL 57 -3.137 4.640 9.825 385 1HG1 VAL 57 1HG1 VAL 57 -5.172 4.077 8.374 386 2HG1 VAL 57 2HG1 VAL 57 -4.199 2.720 7.801 387 3HG1 VAL 57 3HG1 VAL 57 -4.592 2.862 9.516 388 1HG2 VAL 57 1HG2 VAL 57 -1.078 4.098 8.315 389 2HG2 VAL 57 2HG2 VAL 57 -1.562 3.007 9.616 390 3HG2 VAL 57 3HG2 VAL 57 -2.008 2.644 7.946 391 H GLU 58 H GLU 58 -3.199 7.201 9.479 392 HA GLU 58 HA GLU 58 -6.038 7.663 9.279 393 1HB GLU 58 1HB GLU 58 -4.088 9.465 10.706 394 2HB GLU 58 2HB GLU 58 -5.786 9.189 11.068 395 1HG GLU 58 1HG GLU 58 -5.366 7.358 12.299 396 2HG GLU 58 2HG GLU 58 -4.060 6.818 11.246 397 H ILE 59 H ILE 59 -3.377 8.446 7.505 398 HA ILE 59 HA ILE 59 -4.386 11.068 6.609 399 HB ILE 59 HB ILE 59 -1.787 9.627 6.236 400 1HG1 ILE 59 1HG1 ILE 59 -1.999 12.536 6.665 401 2HG1 ILE 59 2HG1 ILE 59 -2.511 11.510 7.998 402 1HG2 ILE 59 1HG2 ILE 59 -3.023 11.560 4.354 403 2HG2 ILE 59 2HG2 ILE 59 -1.298 11.713 4.687 404 3HG2 ILE 59 3HG2 ILE 59 -1.939 10.204 4.036 405 1HD1 ILE 59 1HD1 ILE 59 0.028 10.742 6.808 406 2HD1 ILE 59 2HD1 ILE 59 0.022 12.351 7.532 407 3HD1 ILE 59 3HD1 ILE 59 -0.426 10.950 8.499 408 H VAL 60 H VAL 60 -3.643 7.822 5.616 409 HA VAL 60 HA VAL 60 -4.620 8.261 2.925 410 HB VAL 60 HB VAL 60 -3.575 5.702 4.131 411 1HG1 VAL 60 1HG1 VAL 60 -4.427 6.557 1.459 412 2HG1 VAL 60 2HG1 VAL 60 -2.880 5.711 1.509 413 3HG1 VAL 60 3HG1 VAL 60 -4.326 4.941 2.159 414 1HG2 VAL 60 1HG2 VAL 60 -2.151 8.144 3.649 415 2HG2 VAL 60 2HG2 VAL 60 -1.536 6.588 4.217 416 3HG2 VAL 60 3HG2 VAL 60 -1.620 6.922 2.490 417 H GLY 61 H GLY 61 -5.150 5.358 4.913 418 1HA GLY 61 1HA GLY 61 -7.145 4.044 4.707 419 2HA GLY 61 2HA GLY 61 -7.509 5.252 5.927 420 H GLU 62 H GLU 62 -7.312 5.372 2.378 421 HA GLU 62 HA GLU 62 -9.754 6.931 2.302 422 1HB GLU 62 1HB GLU 62 -7.694 6.169 0.262 423 2HB GLU 62 2HB GLU 62 -9.188 6.978 -0.191 424 1HG GLU 62 1HG GLU 62 -8.090 8.444 1.947 425 2HG GLU 62 2HG GLU 62 -6.771 8.098 0.830 426 H ALA 63 H ALA 63 -8.875 3.680 1.893 427 HA ALA 63 HA ALA 63 -10.487 2.734 -0.096 428 1HB ALA 63 1HB ALA 63 -9.844 1.491 2.547 429 2HB ALA 63 2HB ALA 63 -10.865 0.676 1.361 430 3HB ALA 63 3HB ALA 63 -9.192 1.100 0.956 431 H ASN 64 H ASN 64 -12.568 1.765 -0.101 432 HA ASN 64 HA ASN 64 -14.511 3.253 1.435 433 1HB ASN 64 1HB ASN 64 -15.945 1.584 -0.202 434 2HB ASN 64 2HB ASN 64 -15.446 3.208 -0.640 435 1HD2 ASN 64 2HD2 ASN 64 -14.133 -0.084 -0.592 436 2HD2 ASN 64 1HD2 ASN 64 -13.383 0.011 -2.146 437 HA PRO 65 HA PRO 65 -15.686 -0.220 3.890 438 1HB PRO 65 1HB PRO 65 -18.496 -0.113 3.306 439 2HB PRO 65 2HB PRO 65 -17.651 0.586 4.687 440 1HG PRO 65 1HG PRO 65 -18.870 2.048 2.679 441 2HG PRO 65 2HG PRO 65 -17.597 2.661 3.748 442 1HD PRO 65 1HD PRO 65 -17.389 1.664 0.936 443 2HD PRO 65 2HD PRO 65 -16.505 2.983 1.727 444 H ASP 66 H ASP 66 -15.562 -0.491 0.714 445 HA ASP 66 HA ASP 66 -17.102 -2.942 0.393 446 1HB ASP 66 1HB ASP 66 -15.860 -0.955 -1.415 447 2HB ASP 66 2HB ASP 66 -15.846 -2.624 -1.980 448 H GLU 67 H GLU 67 -13.785 -1.919 -0.416 449 HA GLU 67 HA GLU 67 -12.769 -4.510 -0.701 450 1HB GLU 67 1HB GLU 67 -10.544 -3.486 -0.518 451 2HB GLU 67 2HB GLU 67 -11.599 -2.578 -1.589 452 1HG GLU 67 1HG GLU 67 -12.071 -1.223 0.634 453 2HG GLU 67 2HG GLU 67 -10.471 -1.840 1.046 454 H ASN 68 H ASN 68 -13.369 -2.622 2.138 455 HA ASN 68 HA ASN 68 -11.657 -4.096 3.888 456 1HB ASN 68 1HB ASN 68 -12.336 -1.861 4.519 457 2HB ASN 68 2HB ASN 68 -14.038 -2.311 4.442 458 1HD2 ASN 68 2HD2 ASN 68 -11.294 -4.033 5.855 459 2HD2 ASN 68 1HD2 ASN 68 -11.917 -4.062 7.466 460 H ASP 69 H ASP 69 -15.046 -4.302 2.944 461 HA ASP 69 HA ASP 69 -15.590 -6.491 4.751 462 1HB ASP 69 1HB ASP 69 -17.240 -4.672 3.844 463 2HB ASP 69 2HB ASP 69 -17.367 -5.738 2.448 464 H LEU 70 H LEU 70 -14.685 -6.021 1.426 465 HA LEU 70 HA LEU 70 -15.284 -8.645 0.507 466 1HB LEU 70 1HB LEU 70 -15.029 -7.345 -1.322 467 2HB LEU 70 2HB LEU 70 -13.927 -6.249 -0.515 468 HG LEU 70 HG LEU 70 -12.150 -8.065 -0.822 469 1HD1 LEU 70 1HD1 LEU 70 -14.319 -9.532 -1.714 470 2HD1 LEU 70 2HD1 LEU 70 -13.460 -9.093 -3.190 471 3HD1 LEU 70 3HD1 LEU 70 -12.617 -9.952 -1.900 472 1HD2 LEU 70 1HD2 LEU 70 -12.860 -5.916 -2.324 473 2HD2 LEU 70 2HD2 LEU 70 -11.427 -6.907 -2.602 474 3HD2 LEU 70 3HD2 LEU 70 -12.901 -7.209 -3.524 475 H LEU 71 H LEU 71 -12.745 -7.266 2.360 476 HA LEU 71 HA LEU 71 -10.885 -9.440 1.854 477 1HB LEU 71 1HB LEU 71 -10.579 -6.802 2.602 478 2HB LEU 71 2HB LEU 71 -10.296 -7.668 4.101 479 HG LEU 71 HG LEU 71 -8.515 -8.962 3.048 480 1HD1 LEU 71 1HD1 LEU 71 -9.756 -8.468 0.698 481 2HD1 LEU 71 2HD1 LEU 71 -8.431 -7.307 0.622 482 3HD1 LEU 71 3HD1 LEU 71 -8.088 -9.022 0.843 483 1HD2 LEU 71 1HD2 LEU 71 -8.251 -6.547 3.992 484 2HD2 LEU 71 2HD2 LEU 71 -6.913 -7.309 3.132 485 3HD2 LEU 71 3HD2 LEU 71 -7.933 -6.130 2.308 486 H GLN 72 H GLN 72 -12.876 -8.195 4.502 487 HA GLN 72 HA GLN 72 -12.155 -9.911 6.532 488 1HB GLN 72 1HB GLN 72 -14.544 -8.332 5.854 489 2HB GLN 72 2HB GLN 72 -14.850 -9.691 6.927 490 1HG GLN 72 1HG GLN 72 -14.442 -7.837 8.310 491 2HG GLN 72 2HG GLN 72 -12.981 -8.819 8.372 492 1HE2 GLN 72 2HE2 GLN 72 -11.213 -8.165 6.932 493 2HE2 GLN 72 1HE2 GLN 72 -10.973 -6.480 6.636 494 H SER 73 H SER 73 -14.281 -10.500 3.798 495 HA SER 73 HA SER 73 -15.227 -13.028 4.729 496 1HB SER 73 1HB SER 73 -15.813 -11.278 2.581 497 2HB SER 73 2HB SER 73 -15.375 -12.831 1.870 498 HG SER 73 HG SER 73 -17.242 -12.552 3.984 499 H THR 74 H THR 74 -12.399 -11.978 3.032 500 HA THR 74 HA THR 74 -11.661 -14.207 1.595 501 HB THR 74 HB THR 74 -9.368 -13.477 1.818 502 HG1 THR 74 HG1 THR 74 -9.085 -11.611 3.354 503 1HG2 THR 74 1HG2 THR 74 -11.404 -11.315 1.597 504 2HG2 THR 74 2HG2 THR 74 -9.687 -10.914 1.602 505 3HG2 THR 74 3HG2 THR 74 -10.338 -11.990 0.366 506 H GLY 75 H GLY 75 -10.729 -13.530 4.979 507 1HA GLY 75 1HA GLY 75 -11.076 -15.370 6.595 508 2HA GLY 75 2HA GLY 75 -10.472 -16.452 5.351 509 H GLU 76 H GLU 76 -8.608 -13.877 4.925 510 HA GLU 76 HA GLU 76 -6.457 -15.004 6.535 511 1HB GLU 76 1HB GLU 76 -6.068 -12.671 4.707 512 2HB GLU 76 2HB GLU 76 -4.971 -13.996 5.075 513 1HG GLU 76 1HG GLU 76 -6.957 -15.345 3.856 514 2HG GLU 76 2HG GLU 76 -7.077 -13.788 3.036 515 HA PRO 77 HA PRO 77 -6.814 -12.078 9.830 516 1HB PRO 77 1HB PRO 77 -4.073 -11.975 10.384 517 2HB PRO 77 2HB PRO 77 -5.229 -13.112 11.082 518 1HG PRO 77 1HG PRO 77 -3.344 -13.483 8.800 519 2HG PRO 77 2HG PRO 77 -3.840 -14.639 10.050 520 1HD PRO 77 1HD PRO 77 -4.823 -14.779 7.566 521 2HD PRO 77 2HD PRO 77 -5.845 -15.125 8.977 522 H MET 78 H MET 78 -5.574 -10.024 10.556 523 HA MET 78 HA MET 78 -4.343 -8.551 8.381 524 1HB MET 78 1HB MET 78 -7.037 -7.846 9.526 525 2HB MET 78 2HB MET 78 -6.009 -6.637 8.771 526 1HG MET 78 1HG MET 78 -6.085 -7.767 6.677 527 2HG MET 78 2HG MET 78 -6.890 -9.160 7.398 528 1HE MET 78 1HE MET 78 -6.949 -5.849 5.912 529 2HE MET 78 2HE MET 78 -8.641 -5.376 5.753 530 3HE MET 78 3HE MET 78 -7.773 -5.056 7.254 531 H THR 79 H THR 79 -4.322 -6.045 9.332 532 HA THR 79 HA THR 79 -3.685 -6.026 12.153 533 HB THR 79 HB THR 79 -1.421 -5.780 12.049 534 HG1 THR 79 HG1 THR 79 -1.271 -5.036 9.366 535 1HG2 THR 79 1HG2 THR 79 -2.080 -7.335 9.578 536 2HG2 THR 79 2HG2 THR 79 -0.417 -7.059 10.096 537 3HG2 THR 79 3HG2 THR 79 -1.536 -7.926 11.148 538 H ALA 80 H ALA 80 -2.228 -3.663 12.230 539 HA ALA 80 HA ALA 80 -4.320 -1.759 11.554 540 1HB ALA 80 1HB ALA 80 -1.867 -1.600 13.279 541 2HB ALA 80 2HB ALA 80 -2.845 -0.184 12.894 542 3HB ALA 80 3HB ALA 80 -3.561 -1.539 13.767 543 H GLY 81 H GLY 81 -4.128 -0.066 10.170 544 1HA GLY 81 1HA GLY 81 -3.172 1.375 8.636 545 2HA GLY 81 2HA GLY 81 -1.602 0.676 8.996 546 H THR 82 H THR 82 -3.213 -1.998 8.424 547 HA THR 82 HA THR 82 -2.112 -2.535 5.934 548 HB THR 82 HB THR 82 -4.670 -3.894 6.578 549 HG1 THR 82 HG1 THR 82 -3.200 -5.065 8.219 550 1HG2 THR 82 1HG2 THR 82 -2.050 -4.597 5.472 551 2HG2 THR 82 2HG2 THR 82 -2.758 -5.802 6.548 552 3HG2 THR 82 3HG2 THR 82 -3.649 -5.255 5.127 553 H ARG 83 H ARG 83 -2.912 -2.544 3.825 554 HA ARG 83 HA ARG 83 -5.563 -1.609 3.233 555 1HB ARG 83 1HB ARG 83 -3.347 0.274 3.351 556 2HB ARG 83 2HB ARG 83 -4.103 0.245 1.765 557 1HG ARG 83 1HG ARG 83 -5.524 0.704 4.377 558 2HG ARG 83 2HG ARG 83 -5.082 1.947 3.208 559 1HD ARG 83 1HD ARG 83 -6.478 0.739 1.519 560 2HD ARG 83 2HD ARG 83 -7.031 -0.315 2.811 561 HE ARG 83 HE ARG 83 -8.016 2.227 2.229 562 1HH1 ARG 83 1HH1 ARG 83 -7.188 0.183 4.923 563 2HH1 ARG 83 2HH1 ARG 83 -8.229 1.002 6.036 564 1HH2 ARG 83 1HH2 ARG 83 -9.408 3.310 3.690 565 2HH2 ARG 83 2HH2 ARG 83 -9.494 2.775 5.335 566 H LEU 84 H LEU 84 -5.681 -1.121 0.755 567 HA LEU 84 HA LEU 84 -4.525 -3.433 -0.564 568 1HB LEU 84 1HB LEU 84 -6.545 -1.373 -1.429 569 2HB LEU 84 2HB LEU 84 -5.978 -2.658 -2.476 570 HG LEU 84 HG LEU 84 -8.219 -2.865 -1.079 571 1HD1 LEU 84 1HD1 LEU 84 -6.191 -4.917 -1.829 572 2HD1 LEU 84 2HD1 LEU 84 -7.650 -5.410 -0.972 573 3HD1 LEU 84 3HD1 LEU 84 -7.777 -4.590 -2.528 574 1HD2 LEU 84 1HD2 LEU 84 -7.072 -2.523 1.082 575 2HD2 LEU 84 2HD2 LEU 84 -7.915 -4.070 0.988 576 3HD2 LEU 84 3HD2 LEU 84 -6.161 -4.009 0.804 577 H SER 85 H SER 85 -2.775 -3.359 -1.802 578 HA SER 85 HA SER 85 -1.213 -1.065 -2.098 579 1HB SER 85 1HB SER 85 -0.923 -3.801 -2.614 580 2HB SER 85 2HB SER 85 -0.636 -3.005 -4.161 581 HG SER 85 HG SER 85 1.272 -2.634 -3.366 582 H CYS 86 H CYS 86 -3.302 -2.689 -4.493 583 HA CYS 86 HA CYS 86 -2.812 -0.539 -6.393 584 1HB CYS 86 1HB CYS 86 -3.827 -1.893 -8.027 585 2HB CYS 86 2HB CYS 86 -2.928 -3.015 -7.012 586 H GLN 87 H GLN 87 -4.552 -0.379 -3.823 587 HA GLN 87 HA GLN 87 -6.911 0.764 -5.173 588 1HB GLN 87 1HB GLN 87 -6.923 -1.246 -3.311 589 2HB GLN 87 2HB GLN 87 -7.216 0.175 -2.317 590 1HG GLN 87 1HG GLN 87 -9.352 -0.054 -2.864 591 2HG GLN 87 2HG GLN 87 -8.902 0.537 -4.465 592 1HE2 GLN 87 2HE2 GLN 87 -10.523 -1.814 -2.916 593 2HE2 GLN 87 1HE2 GLN 87 -10.423 -3.080 -4.086 594 H VAL 88 H VAL 88 -4.231 1.331 -3.127 595 HA VAL 88 HA VAL 88 -5.297 3.829 -2.079 596 HB VAL 88 HB VAL 88 -2.779 2.257 -1.606 597 1HG1 VAL 88 1HG1 VAL 88 -3.007 5.100 -1.534 598 2HG1 VAL 88 2HG1 VAL 88 -2.766 4.487 0.102 599 3HG1 VAL 88 3HG1 VAL 88 -1.615 4.082 -1.173 600 1HG2 VAL 88 1HG2 VAL 88 -5.141 3.101 0.031 601 2HG2 VAL 88 2HG2 VAL 88 -4.484 1.484 -0.233 602 3HG2 VAL 88 3HG2 VAL 88 -3.624 2.629 0.798 603 H PHE 89 H PHE 89 -4.994 5.715 -3.114 604 HA PHE 89 HA PHE 89 -2.727 5.910 -4.973 605 1HB PHE 89 1HB PHE 89 -5.555 6.847 -5.414 606 2HB PHE 89 2HB PHE 89 -4.195 7.344 -6.421 607 HD1 PHE 89 HD1 PHE 89 -5.465 4.157 -4.974 608 HD2 PHE 89 HD2 PHE 89 -4.033 6.233 -8.405 609 HE1 PHE 89 HE1 PHE 89 -5.713 2.102 -6.308 610 HE2 PHE 89 HE2 PHE 89 -4.285 4.183 -9.760 611 HZ PHE 89 HZ PHE 89 -5.125 2.112 -8.710 612 H ILE 90 H ILE 90 -1.949 7.979 -5.433 613 HA ILE 90 HA ILE 90 -1.652 9.615 -3.147 614 HB ILE 90 HB ILE 90 -0.721 9.930 -5.996 615 1HG1 ILE 90 1HG1 ILE 90 -0.009 7.983 -4.372 616 2HG1 ILE 90 2HG1 ILE 90 1.193 8.810 -5.361 617 1HG2 ILE 90 1HG2 ILE 90 -0.274 11.573 -3.560 618 2HG2 ILE 90 2HG2 ILE 90 1.058 11.319 -4.686 619 3HG2 ILE 90 3HG2 ILE 90 -0.428 12.079 -5.238 620 1HD1 ILE 90 1HD1 ILE 90 1.715 10.285 -3.438 621 2HD1 ILE 90 2HD1 ILE 90 0.572 9.339 -2.470 622 3HD1 ILE 90 3HD1 ILE 90 2.017 8.567 -3.116 623 H ASP 91 H ASP 91 -2.019 11.861 -2.996 624 HA ASP 91 HA ASP 91 -3.526 13.452 -4.705 625 1HB ASP 91 1HB ASP 91 -5.699 13.125 -4.048 626 2HB ASP 91 2HB ASP 91 -5.117 11.564 -3.491 627 HA PRO 92 HA PRO 92 -1.871 16.372 -1.786 628 1HB PRO 92 1HB PRO 92 -4.430 17.838 -1.581 629 2HB PRO 92 2HB PRO 92 -2.873 18.386 -2.214 630 1HG PRO 92 1HG PRO 92 -4.928 17.896 -3.858 631 2HG PRO 92 2HG PRO 92 -3.264 17.492 -4.322 632 1HD PRO 92 1HD PRO 92 -5.421 15.693 -3.266 633 2HD PRO 92 2HD PRO 92 -4.289 15.411 -4.607 634 H SER 93 H SER 93 -2.805 14.073 -0.650 635 HA SER 93 HA SER 93 -3.562 14.922 2.035 636 1HB SER 93 1HB SER 93 -5.477 13.689 2.092 637 2HB SER 93 2HB SER 93 -5.393 13.782 0.323 638 HG SER 93 HG SER 93 -5.616 11.635 1.025 639 H MET 94 H MET 94 -2.313 12.493 -0.163 640 HA MET 94 HA MET 94 -0.838 11.177 2.000 641 1HB MET 94 1HB MET 94 -1.840 10.180 -0.670 642 2HB MET 94 2HB MET 94 -0.742 9.265 0.346 643 1HG MET 94 1HG MET 94 -2.358 8.703 1.815 644 2HG MET 94 2HG MET 94 -3.213 10.231 1.628 645 1HE MET 94 1HE MET 94 -2.134 7.053 0.219 646 2HE MET 94 2HE MET 94 -3.645 6.283 -0.267 647 3HE MET 94 3HE MET 94 -2.700 7.193 -1.446 648 H ASP 95 H ASP 95 0.150 13.531 0.959 649 HA ASP 95 HA ASP 95 2.039 12.876 -1.064 650 1HB ASP 95 1HB ASP 95 2.063 15.531 0.273 651 2HB ASP 95 2HB ASP 95 2.213 15.150 -1.432 652 H GLY 96 H GLY 96 3.990 12.104 -0.556 653 1HA GLY 96 1HA GLY 96 5.990 11.930 0.679 654 2HA GLY 96 2HA GLY 96 5.329 13.082 1.831 655 H LEU 97 H LEU 97 3.452 10.423 0.689 656 HA LEU 97 HA LEU 97 3.055 9.522 3.343 657 1HB LEU 97 1HB LEU 97 1.099 8.891 2.553 658 2HB LEU 97 2HB LEU 97 1.605 9.428 0.970 659 HG LEU 97 HG LEU 97 0.642 7.168 0.974 660 1HD1 LEU 97 1HD1 LEU 97 2.463 8.034 -0.599 661 2HD1 LEU 97 2HD1 LEU 97 3.530 6.924 0.267 662 3HD1 LEU 97 3HD1 LEU 97 2.108 6.305 -0.577 663 1HD2 LEU 97 1HD2 LEU 97 1.995 6.738 3.281 664 2HD2 LEU 97 2HD2 LEU 97 1.331 5.467 2.255 665 3HD2 LEU 97 3HD2 LEU 97 3.032 5.912 2.119 666 H ILE 98 H ILE 98 3.453 7.568 4.242 667 HA ILE 98 HA ILE 98 5.804 6.275 3.117 668 HB ILE 98 HB ILE 98 4.895 6.377 5.928 669 1HG1 ILE 98 1HG1 ILE 98 6.910 7.767 6.267 670 2HG1 ILE 98 2HG1 ILE 98 7.175 7.729 4.521 671 1HG2 ILE 98 1HG2 ILE 98 6.052 4.274 5.390 672 2HG2 ILE 98 2HG2 ILE 98 7.447 5.224 4.877 673 3HG2 ILE 98 3HG2 ILE 98 6.916 5.273 6.558 674 1HD1 ILE 98 1HD1 ILE 98 4.495 8.499 5.289 675 2HD1 ILE 98 2HD1 ILE 98 5.739 9.617 5.855 676 3HD1 ILE 98 3HD1 ILE 98 5.597 9.240 4.137 677 H VAL 99 H VAL 99 5.938 4.117 2.801 678 HA VAL 99 HA VAL 99 3.492 2.650 3.379 679 HB VAL 99 HB VAL 99 5.256 1.499 1.380 680 1HG1 VAL 99 1HG1 VAL 99 2.427 1.752 2.144 681 2HG1 VAL 99 2HG1 VAL 99 2.761 1.620 0.407 682 3HG1 VAL 99 3HG1 VAL 99 3.315 0.356 1.503 683 1HG2 VAL 99 1HG2 VAL 99 3.721 4.058 0.917 684 2HG2 VAL 99 2HG2 VAL 99 5.461 3.833 0.754 685 3HG2 VAL 99 3HG2 VAL 99 4.361 3.027 -0.364 686 H ARG 100 H ARG 100 4.021 0.136 3.178 687 HA ARG 100 HA ARG 100 6.461 -0.747 4.372 688 1HB ARG 100 1HB ARG 100 4.103 -0.186 6.070 689 2HB ARG 100 2HB ARG 100 4.886 -1.735 6.337 690 1HG ARG 100 1HG ARG 100 6.976 -0.650 6.820 691 2HG ARG 100 2HG ARG 100 6.290 0.923 6.410 692 1HD ARG 100 1HD ARG 100 5.667 1.150 8.524 693 2HD ARG 100 2HD ARG 100 4.555 -0.194 8.291 694 HE ARG 100 HE ARG 100 6.095 -1.629 9.312 695 1HH1 ARG 100 1HH1 ARG 100 7.327 1.631 9.105 696 2HH1 ARG 100 2HH1 ARG 100 8.575 1.365 10.272 697 1HH2 ARG 100 1HH2 ARG 100 7.742 -1.979 10.845 698 2HH2 ARG 100 2HH2 ARG 100 8.814 -0.683 11.258 699 H VAL 101 H VAL 101 6.749 -2.918 3.970 700 HA VAL 101 HA VAL 101 4.488 -4.301 2.708 701 HB VAL 101 HB VAL 101 7.443 -4.918 2.657 702 1HG1 VAL 101 1HG1 VAL 101 5.779 -6.897 2.606 703 2HG1 VAL 101 2HG1 VAL 101 5.395 -6.321 0.986 704 3HG1 VAL 101 3HG1 VAL 101 7.041 -6.814 1.379 705 1HG2 VAL 101 1HG2 VAL 101 6.470 -2.963 1.308 706 2HG2 VAL 101 2HG2 VAL 101 7.469 -4.140 0.456 707 3HG2 VAL 101 3HG2 VAL 101 5.713 -4.207 0.314 708 HA PRO 102 HA PRO 102 3.630 -6.797 6.262 709 1HB PRO 102 1HB PRO 102 3.199 -8.861 4.156 710 2HB PRO 102 2HB PRO 102 2.163 -8.402 5.513 711 1HG PRO 102 1HG PRO 102 1.593 -7.593 3.056 712 2HG PRO 102 2HG PRO 102 1.371 -6.513 4.442 713 1HD PRO 102 1HD PRO 102 3.490 -6.496 2.347 714 2HD PRO 102 2HD PRO 102 2.751 -5.137 3.217 715 H LEU 103 H LEU 103 3.919 -9.400 6.501 716 HA LEU 103 HA LEU 103 6.800 -9.899 6.123 717 1HB LEU 103 1HB LEU 103 7.086 -10.094 8.315 718 2HB LEU 103 2HB LEU 103 5.441 -9.536 8.536 719 HG LEU 103 HG LEU 103 4.888 -12.106 8.181 720 1HD1 LEU 103 1HD1 LEU 103 7.785 -12.021 8.898 721 2HD1 LEU 103 2HD1 LEU 103 6.765 -13.319 9.518 722 3HD1 LEU 103 3HD1 LEU 103 6.934 -13.085 7.778 723 1HD2 LEU 103 1HD2 LEU 103 5.459 -10.424 10.488 724 2HD2 LEU 103 2HD2 LEU 103 4.116 -11.530 10.195 725 3HD2 LEU 103 3HD2 LEU 103 5.645 -12.146 10.824 726 HA PRO 104 HA PRO 104 6.210 -13.611 3.845 727 1HB PRO 104 1HB PRO 104 7.697 -14.763 6.181 728 2HB PRO 104 2HB PRO 104 7.922 -15.067 4.455 729 1HG PRO 104 1HG PRO 104 9.492 -13.356 5.844 730 2HG PRO 104 2HG PRO 104 9.107 -13.124 4.130 731 1HD PRO 104 1HD PRO 104 8.258 -11.551 6.437 732 2HD PRO 104 2HD PRO 104 8.118 -11.171 4.711 733 H ALA 105 H ALA 105 4.183 -14.371 3.866 734 HA ALA 105 HA ALA 105 3.350 -16.019 6.139 735 1HB ALA 105 1HB ALA 105 1.838 -13.690 5.012 736 2HB ALA 105 2HB ALA 105 0.999 -15.029 5.795 737 3HB ALA 105 3HB ALA 105 2.184 -14.084 6.696 Start of MODEL 9 1 2H PRO 1 2H PRO 1 3.912 14.805 -5.283 2 1H PRO 1 1H PRO 1 4.631 13.340 -5.515 3 HA PRO 1 HA PRO 1 4.534 14.878 -3.305 4 1HB PRO 1 1HB PRO 1 3.586 12.162 -2.586 5 2HB PRO 1 2HB PRO 1 3.313 13.693 -1.784 6 1HG PRO 1 1HG PRO 1 1.376 12.714 -3.150 7 2HG PRO 1 2HG PRO 1 1.790 14.421 -3.398 8 1HD PRO 1 1HD PRO 1 2.682 12.043 -5.038 9 2HD PRO 1 2HD PRO 1 1.851 13.495 -5.598 10 H ARG 2 H ARG 2 5.364 13.186 -1.467 11 HA ARG 2 HA ARG 2 7.743 11.847 -2.634 12 1HB ARG 2 1HB ARG 2 8.717 13.551 -1.395 13 2HB ARG 2 2HB ARG 2 7.398 13.600 -0.235 14 1HG ARG 2 1HG ARG 2 9.199 12.767 0.973 15 2HG ARG 2 2HG ARG 2 8.260 11.330 0.568 16 1HD ARG 2 1HD ARG 2 10.192 10.496 -0.189 17 2HD ARG 2 2HD ARG 2 9.950 11.558 -1.575 18 HE ARG 2 HE ARG 2 11.619 12.940 -0.784 19 1HH1 ARG 2 1HH1 ARG 2 10.809 10.538 1.603 20 2HH1 ARG 2 2HH1 ARG 2 12.162 10.903 2.620 21 1HH2 ARG 2 1HH2 ARG 2 13.406 13.429 0.546 22 2HH2 ARG 2 2HH2 ARG 2 13.639 12.548 2.019 23 H VAL 3 H VAL 3 8.467 9.881 -1.193 24 HA VAL 3 HA VAL 3 6.407 8.950 0.566 25 HB VAL 3 HB VAL 3 6.409 8.228 -2.258 26 1HG1 VAL 3 1HG1 VAL 3 7.218 6.126 -0.905 27 2HG1 VAL 3 2HG1 VAL 3 5.509 6.046 -0.502 28 3HG1 VAL 3 3HG1 VAL 3 6.021 6.043 -2.198 29 1HG2 VAL 3 1HG2 VAL 3 4.588 8.524 0.016 30 2HG2 VAL 3 2HG2 VAL 3 4.462 9.115 -1.656 31 3HG2 VAL 3 3HG2 VAL 3 4.117 7.425 -1.291 32 H VAL 4 H VAL 4 6.756 6.748 1.323 33 HA VAL 4 HA VAL 4 9.444 5.766 0.984 34 HB VAL 4 HB VAL 4 8.547 6.946 3.578 35 1HG1 VAL 4 1HG1 VAL 4 10.014 4.449 3.196 36 2HG1 VAL 4 2HG1 VAL 4 10.889 5.631 4.171 37 3HG1 VAL 4 3HG1 VAL 4 9.276 5.113 4.656 38 1HG2 VAL 4 1HG2 VAL 4 10.827 7.185 1.691 39 2HG2 VAL 4 2HG2 VAL 4 9.905 8.449 2.506 40 3HG2 VAL 4 3HG2 VAL 4 11.112 7.522 3.399 41 H PHE 5 H PHE 5 9.134 3.829 0.503 42 HA PHE 5 HA PHE 5 6.980 2.199 1.641 43 1HB PHE 5 1HB PHE 5 9.044 1.798 -0.506 44 2HB PHE 5 2HB PHE 5 8.023 0.496 0.061 45 HD1 PHE 5 HD1 PHE 5 6.700 3.965 -0.402 46 HD2 PHE 5 HD2 PHE 5 7.104 0.056 -2.014 47 HE1 PHE 5 HE1 PHE 5 5.089 4.506 -2.156 48 HE2 PHE 5 HE2 PHE 5 5.484 0.556 -3.724 49 HZ PHE 5 HZ PHE 5 4.437 2.791 -3.812 50 H ILE 6 H ILE 6 7.748 -0.133 2.122 51 HA ILE 6 HA ILE 6 10.416 -0.448 3.107 52 HB ILE 6 HB ILE 6 8.027 -0.504 4.905 53 1HG1 ILE 6 1HG1 ILE 6 9.982 0.989 6.066 54 2HG1 ILE 6 2HG1 ILE 6 10.243 1.341 4.377 55 1HG2 ILE 6 1HG2 ILE 6 10.835 -1.447 5.351 56 2HG2 ILE 6 2HG2 ILE 6 9.667 -1.185 6.647 57 3HG2 ILE 6 3HG2 ILE 6 9.353 -2.398 5.405 58 1HD1 ILE 6 1HD1 ILE 6 7.476 1.518 5.384 59 2HD1 ILE 6 2HD1 ILE 6 8.614 2.756 5.911 60 3HD1 ILE 6 3HD1 ILE 6 8.322 2.503 4.191 61 H ASP 7 H ASP 7 10.793 -2.681 3.861 62 HA ASP 7 HA ASP 7 8.846 -4.695 3.535 63 1HB ASP 7 1HB ASP 7 9.360 -3.823 1.165 64 2HB ASP 7 2HB ASP 7 10.869 -4.720 1.325 65 H GLU 8 H GLU 8 10.166 -6.910 3.092 66 HA GLU 8 HA GLU 8 12.109 -6.997 5.234 67 1HB GLU 8 1HB GLU 8 10.036 -8.592 4.725 68 2HB GLU 8 2HB GLU 8 11.252 -9.445 3.782 69 1HG GLU 8 1HG GLU 8 12.627 -9.131 6.023 70 2HG GLU 8 2HG GLU 8 11.003 -9.105 6.705 71 H GLN 9 H GLN 9 12.266 -6.504 1.997 72 HA GLN 9 HA GLN 9 14.578 -8.194 1.486 73 1HB GLN 9 1HB GLN 9 12.881 -6.378 -0.188 74 2HB GLN 9 2HB GLN 9 14.481 -6.839 -0.754 75 1HG GLN 9 1HG GLN 9 12.130 -8.617 -0.196 76 2HG GLN 9 2HG GLN 9 12.957 -8.346 -1.729 77 1HE2 GLN 9 2HE2 GLN 9 12.737 -10.278 1.014 78 2HE2 GLN 9 1HE2 GLN 9 14.149 -11.240 0.763 79 H SER 10 H SER 10 13.776 -4.820 2.023 80 HA SER 10 HA SER 10 16.637 -4.265 2.360 81 1HB SER 10 1HB SER 10 15.926 -3.427 0.138 82 2HB SER 10 2HB SER 10 14.711 -2.421 0.927 83 HG SER 10 HG SER 10 17.479 -2.272 1.512 84 H GLY 11 H GLY 11 13.688 -4.346 3.798 85 1HA GLY 11 1HA GLY 11 12.852 -3.426 5.737 86 2HA GLY 11 2HA GLY 11 14.507 -2.983 6.099 87 H GLU 12 H GLU 12 13.250 -1.768 3.195 88 HA GLU 12 HA GLU 12 11.819 0.473 3.846 89 1HB GLU 12 1HB GLU 12 13.420 1.417 5.244 90 2HB GLU 12 2HB GLU 12 14.764 0.863 4.253 91 1HG GLU 12 1HG GLU 12 14.206 2.493 2.544 92 2HG GLU 12 2HG GLU 12 12.812 3.023 3.483 93 H TYR 13 H TYR 13 11.390 1.722 2.112 94 HA TYR 13 HA TYR 13 12.992 1.461 -0.286 95 1HB TYR 13 1HB TYR 13 10.180 0.450 0.007 96 2HB TYR 13 2HB TYR 13 10.850 0.879 -1.567 97 HD1 TYR 13 HD1 TYR 13 11.419 -1.271 1.405 98 HD2 TYR 13 HD2 TYR 13 12.227 -0.580 -2.702 99 HE1 TYR 13 HE1 TYR 13 12.528 -3.475 1.263 100 HE2 TYR 13 HE2 TYR 13 13.316 -2.757 -2.884 101 HH TYR 13 HH TYR 13 14.525 -4.407 -0.571 102 H ALA 14 H ALA 14 13.119 3.683 0.860 103 HA ALA 14 HA ALA 14 11.158 5.601 0.798 104 1HB ALA 14 1HB ALA 14 14.106 5.650 0.636 105 2HB ALA 14 2HB ALA 14 13.258 7.122 0.162 106 3HB ALA 14 3HB ALA 14 13.018 6.445 1.773 107 H VAL 15 H VAL 15 10.311 7.002 -0.672 108 HA VAL 15 HA VAL 15 11.275 7.206 -3.348 109 HB VAL 15 HB VAL 15 10.181 4.938 -3.185 110 1HG1 VAL 15 1HG1 VAL 15 7.691 6.620 -3.015 111 2HG1 VAL 15 2HG1 VAL 15 7.708 4.939 -3.604 112 3HG1 VAL 15 3HG1 VAL 15 8.226 5.300 -1.965 113 1HG2 VAL 15 1HG2 VAL 15 10.147 6.901 -5.250 114 2HG2 VAL 15 2HG2 VAL 15 10.317 5.154 -5.381 115 3HG2 VAL 15 3HG2 VAL 15 8.711 5.879 -5.369 116 H ASP 16 H ASP 16 8.769 7.690 -4.489 117 HA ASP 16 HA ASP 16 7.456 9.784 -3.070 118 1HB ASP 16 1HB ASP 16 8.595 10.466 -5.712 119 2HB ASP 16 2HB ASP 16 8.065 11.544 -4.431 120 H ALA 17 H ALA 17 5.680 10.582 -4.355 121 HA ALA 17 HA ALA 17 4.959 8.851 -6.597 122 1HB ALA 17 1HB ALA 17 4.150 8.377 -4.079 123 2HB ALA 17 2HB ALA 17 2.833 9.419 -4.690 124 3HB ALA 17 3HB ALA 17 3.246 7.911 -5.536 125 H GLN 18 H GLN 18 2.588 9.645 -7.277 126 HA GLN 18 HA GLN 18 2.528 12.574 -7.292 127 1HB GLN 18 1HB GLN 18 2.206 10.924 -9.799 128 2HB GLN 18 2HB GLN 18 2.214 12.677 -9.680 129 1HG GLN 18 1HG GLN 18 4.593 12.336 -8.701 130 2HG GLN 18 2HG GLN 18 4.482 10.758 -9.477 131 1HE2 GLN 18 2HE2 GLN 18 6.432 12.044 -10.462 132 2HE2 GLN 18 1HE2 GLN 18 6.083 12.825 -11.962 133 H ASP 19 H ASP 19 0.564 13.345 -6.924 134 HA ASP 19 HA ASP 19 -1.598 11.990 -6.081 135 1HB ASP 19 1HB ASP 19 -2.390 14.185 -7.855 136 2HB ASP 19 2HB ASP 19 -2.761 13.929 -6.174 137 H GLY 20 H GLY 20 -2.504 10.267 -6.865 138 1HA GLY 20 1HA GLY 20 -4.235 9.589 -8.509 139 2HA GLY 20 2HA GLY 20 -3.153 10.218 -9.744 140 H GLN 21 H GLN 21 -1.114 8.913 -7.553 141 HA GLN 21 HA GLN 21 -1.189 6.284 -8.895 142 1HB GLN 21 1HB GLN 21 1.182 7.784 -7.774 143 2HB GLN 21 2HB GLN 21 1.245 6.177 -8.485 144 1HG GLN 21 1HG GLN 21 0.919 6.965 -10.625 145 2HG GLN 21 2HG GLN 21 0.169 8.457 -10.067 146 1HE2 GLN 21 2HE2 GLN 21 2.933 7.633 -8.311 147 2HE2 GLN 21 1HE2 GLN 21 4.034 8.701 -9.081 148 H SER 22 H SER 22 -0.531 4.452 -7.637 149 HA SER 22 HA SER 22 -1.283 4.815 -4.844 150 1HB SER 22 1HB SER 22 -1.526 2.283 -4.899 151 2HB SER 22 2HB SER 22 -2.644 3.179 -5.925 152 HG SER 22 HG SER 22 -1.890 2.015 -7.489 153 H LEU 23 H LEU 23 -0.293 2.771 -3.543 154 HA LEU 23 HA LEU 23 2.581 3.362 -3.489 155 1HB LEU 23 1HB LEU 23 0.833 1.797 -1.587 156 2HB LEU 23 2HB LEU 23 2.547 2.082 -1.357 157 HG LEU 23 HG LEU 23 1.870 3.821 -0.109 158 1HD1 LEU 23 1HD1 LEU 23 1.416 4.889 -2.881 159 2HD1 LEU 23 2HD1 LEU 23 1.329 5.902 -1.440 160 3HD1 LEU 23 3HD1 LEU 23 2.834 5.082 -1.850 161 1HD2 LEU 23 1HD2 LEU 23 -0.735 3.675 -1.608 162 2HD2 LEU 23 2HD2 LEU 23 -0.402 3.154 0.044 163 3HD2 LEU 23 3HD2 LEU 23 -0.396 4.871 -0.356 164 H MET 24 H MET 24 0.813 1.365 -5.235 165 HA MET 24 HA MET 24 2.526 -0.989 -4.922 166 1HB MET 24 1HB MET 24 0.935 -2.205 -6.179 167 2HB MET 24 2HB MET 24 -0.016 -1.182 -5.114 168 1HG MET 24 1HG MET 24 -0.788 0.121 -6.817 169 2HG MET 24 2HG MET 24 0.624 -0.163 -7.828 170 1HE MET 24 1HE MET 24 1.144 -1.960 -9.116 171 2HE MET 24 2HE MET 24 0.686 -3.531 -8.459 172 3HE MET 24 3HE MET 24 -0.033 -2.961 -9.965 173 H GLU 25 H GLU 25 1.703 1.634 -7.049 174 HA GLU 25 HA GLU 25 3.348 0.633 -9.203 175 1HB GLU 25 1HB GLU 25 2.415 2.255 -10.522 176 2HB GLU 25 2HB GLU 25 1.159 2.151 -9.297 177 1HG GLU 25 1HG GLU 25 1.406 4.392 -9.319 178 2HG GLU 25 2HG GLU 25 2.677 4.015 -8.157 179 H VAL 26 H VAL 26 3.578 3.141 -6.693 180 HA VAL 26 HA VAL 26 5.883 4.344 -7.643 181 HB VAL 26 HB VAL 26 6.094 3.760 -4.774 182 1HG1 VAL 26 1HG1 VAL 26 7.280 5.404 -6.310 183 2HG1 VAL 26 2HG1 VAL 26 5.825 6.378 -6.160 184 3HG1 VAL 26 3HG1 VAL 26 6.762 5.972 -4.730 185 1HG2 VAL 26 1HG2 VAL 26 3.629 3.860 -5.056 186 2HG2 VAL 26 2HG2 VAL 26 4.346 5.098 -4.025 187 3HG2 VAL 26 3HG2 VAL 26 3.843 5.502 -5.673 188 H ALA 27 H ALA 27 5.539 1.660 -5.447 189 HA ALA 27 HA ALA 27 7.864 0.663 -4.891 190 1HB ALA 27 1HB ALA 27 5.360 -0.481 -5.249 191 2HB ALA 27 2HB ALA 27 6.463 -1.502 -6.176 192 3HB ALA 27 3HB ALA 27 6.753 -1.219 -4.455 193 H THR 28 H THR 28 6.467 -0.608 -7.874 194 HA THR 28 HA THR 28 8.742 -1.698 -8.927 195 HB THR 28 HB THR 28 7.531 -2.090 -10.789 196 HG1 THR 28 HG1 THR 28 6.365 0.459 -10.903 197 1HG2 THR 28 1HG2 THR 28 5.821 -2.271 -8.970 198 2HG2 THR 28 2HG2 THR 28 5.259 -0.669 -9.447 199 3HG2 THR 28 3HG2 THR 28 5.185 -2.007 -10.593 200 H GLN 29 H GLN 29 7.754 1.636 -8.870 201 HA GLN 29 HA GLN 29 9.839 2.490 -10.677 202 1HB GLN 29 1HB GLN 29 7.947 4.044 -8.918 203 2HB GLN 29 2HB GLN 29 9.131 4.797 -9.975 204 1HG GLN 29 1HG GLN 29 8.057 3.625 -11.893 205 2HG GLN 29 2HG GLN 29 6.799 3.083 -10.783 206 1HE2 GLN 29 2HE2 GLN 29 6.010 4.488 -12.896 207 2HE2 GLN 29 1HE2 GLN 29 5.543 6.089 -12.450 208 H ASN 30 H ASN 30 9.446 2.145 -7.246 209 HA ASN 30 HA ASN 30 11.849 3.652 -6.638 210 1HB ASN 30 1HB ASN 30 10.688 2.020 -4.496 211 2HB ASN 30 2HB ASN 30 11.055 3.728 -4.514 212 1HD2 ASN 30 2HD2 ASN 30 8.657 2.200 -3.619 213 2HD2 ASN 30 1HD2 ASN 30 7.344 2.894 -4.442 214 H GLY 31 H GLY 31 11.462 0.716 -7.938 215 1HA GLY 31 1HA GLY 31 12.990 -1.021 -8.191 216 2HA GLY 31 2HA GLY 31 14.024 -0.235 -7.002 217 H VAL 32 H VAL 32 10.967 -0.412 -5.803 218 HA VAL 32 HA VAL 32 11.493 -2.058 -3.677 219 HB VAL 32 HB VAL 32 8.802 -1.564 -4.874 220 1HG1 VAL 32 1HG1 VAL 32 9.712 -2.002 -2.061 221 2HG1 VAL 32 2HG1 VAL 32 8.145 -1.302 -2.473 222 3HG1 VAL 32 3HG1 VAL 32 8.530 -2.935 -2.997 223 1HG2 VAL 32 1HG2 VAL 32 10.647 0.296 -3.460 224 2HG2 VAL 32 2HG2 VAL 32 9.674 0.576 -4.905 225 3HG2 VAL 32 3HG2 VAL 32 8.899 0.494 -3.321 226 HA PRO 33 HA PRO 33 11.287 -6.234 -4.932 227 1HB PRO 33 1HB PRO 33 9.286 -6.783 -2.797 228 2HB PRO 33 2HB PRO 33 10.867 -7.523 -3.081 229 1HG PRO 33 1HG PRO 33 10.628 -5.784 -1.111 230 2HG PRO 33 2HG PRO 33 12.024 -5.657 -2.206 231 1HD PRO 33 1HD PRO 33 9.449 -4.141 -2.265 232 2HD PRO 33 2HD PRO 33 11.087 -3.501 -2.299 233 H GLY 34 H GLY 34 9.939 -5.133 -6.775 234 1HA GLY 34 1HA GLY 34 8.121 -5.177 -8.198 235 2HA GLY 34 2HA GLY 34 8.354 -6.902 -7.977 236 H ILE 35 H ILE 35 6.662 -4.091 -6.702 237 HA ILE 35 HA ILE 35 4.754 -5.750 -5.279 238 HB ILE 35 HB ILE 35 4.596 -2.774 -5.763 239 1HG1 ILE 35 1HG1 ILE 35 6.715 -3.299 -4.664 240 2HG1 ILE 35 2HG1 ILE 35 5.614 -2.528 -3.526 241 1HG2 ILE 35 1HG2 ILE 35 2.665 -4.404 -4.846 242 2HG2 ILE 35 2HG2 ILE 35 3.489 -4.025 -3.333 243 3HG2 ILE 35 3HG2 ILE 35 2.847 -2.726 -4.338 244 1HD1 ILE 35 1HD1 ILE 35 5.520 -5.460 -3.560 245 2HD1 ILE 35 2HD1 ILE 35 7.034 -4.751 -2.997 246 3HD1 ILE 35 3HD1 ILE 35 5.515 -4.333 -2.203 247 H VAL 36 H VAL 36 4.772 -6.407 -7.967 248 HA VAL 36 HA VAL 36 2.516 -5.061 -9.222 249 HB VAL 36 HB VAL 36 2.977 -6.628 -11.128 250 1HG1 VAL 36 1HG1 VAL 36 5.165 -4.820 -10.123 251 2HG1 VAL 36 2HG1 VAL 36 5.161 -5.533 -11.735 252 3HG1 VAL 36 3HG1 VAL 36 3.870 -4.431 -11.256 253 1HG2 VAL 36 1HG2 VAL 36 4.305 -8.136 -9.307 254 2HG2 VAL 36 2HG2 VAL 36 4.534 -8.252 -11.051 255 3HG2 VAL 36 3HG2 VAL 36 5.644 -7.286 -10.079 256 H ALA 37 H ALA 37 0.916 -6.577 -10.377 257 HA ALA 37 HA ALA 37 0.271 -8.938 -8.769 258 1HB ALA 37 1HB ALA 37 -1.151 -6.438 -8.657 259 2HB ALA 37 2HB ALA 37 -2.200 -7.726 -9.249 260 3HB ALA 37 3HB ALA 37 -1.376 -7.902 -7.699 261 H GLU 38 H GLU 38 -1.843 -9.961 -9.785 262 HA GLU 38 HA GLU 38 -1.225 -10.324 -12.611 263 1HB GLU 38 1HB GLU 38 -2.481 -12.348 -12.493 264 2HB GLU 38 2HB GLU 38 -1.488 -12.273 -11.044 265 1HG GLU 38 1HG GLU 38 -3.607 -11.221 -9.968 266 2HG GLU 38 2HG GLU 38 -4.440 -11.963 -11.333 267 H CYS 39 H CYS 39 -3.538 -8.764 -10.624 268 HA CYS 39 HA CYS 39 -5.553 -8.689 -12.728 269 1HB CYS 39 1HB CYS 39 -7.064 -8.023 -11.132 270 2HB CYS 39 2HB CYS 39 -5.925 -8.904 -10.120 271 H GLY 40 H GLY 40 -2.826 -6.963 -11.886 272 1HA GLY 40 1HA GLY 40 -2.094 -4.806 -12.298 273 2HA GLY 40 2HA GLY 40 -2.893 -5.087 -13.839 274 H GLY 41 H GLY 41 -4.371 -4.742 -10.638 275 1HA GLY 41 1HA GLY 41 -5.528 -2.890 -9.775 276 2HA GLY 41 2HA GLY 41 -5.343 -2.083 -11.325 277 H SER 42 H SER 42 -6.403 -5.234 -11.760 278 HA SER 42 HA SER 42 -9.058 -4.287 -12.450 279 1HB SER 42 1HB SER 42 -7.719 -5.789 -13.960 280 2HB SER 42 2HB SER 42 -7.933 -7.076 -12.773 281 HG SER 42 HG SER 42 -10.022 -7.210 -13.266 282 H CYS 43 H CYS 43 -7.944 -4.897 -9.608 283 HA CYS 43 HA CYS 43 -8.667 -5.840 -7.655 284 1HB CYS 43 1HB CYS 43 -10.422 -4.112 -8.221 285 2HB CYS 43 2HB CYS 43 -11.405 -5.424 -8.863 286 HG CYS 43 HG CYS 43 -10.963 -6.315 -6.185 287 H VAL 44 H VAL 44 -7.784 -7.885 -8.910 288 HA VAL 44 HA VAL 44 -9.769 -9.977 -8.456 289 HB VAL 44 HB VAL 44 -8.126 -9.820 -10.990 290 1HG1 VAL 44 1HG1 VAL 44 -9.610 -12.004 -9.679 291 2HG1 VAL 44 2HG1 VAL 44 -9.867 -11.825 -11.414 292 3HG1 VAL 44 3HG1 VAL 44 -8.237 -12.065 -10.783 293 1HG2 VAL 44 1HG2 VAL 44 -10.387 -8.455 -10.567 294 2HG2 VAL 44 2HG2 VAL 44 -9.966 -9.148 -12.132 295 3HG2 VAL 44 3HG2 VAL 44 -11.078 -9.999 -11.060 296 H CYS 45 H CYS 45 -7.449 -9.056 -6.977 297 HA CYS 45 HA CYS 45 -6.195 -11.590 -6.568 298 1HB CYS 45 1HB CYS 45 -4.067 -11.244 -7.363 299 2HB CYS 45 2HB CYS 45 -4.992 -10.361 -8.570 300 H ALA 46 H ALA 46 -4.182 -11.189 -5.006 301 HA ALA 46 HA ALA 46 -4.802 -9.033 -3.124 302 1HB ALA 46 1HB ALA 46 -5.006 -11.949 -2.598 303 2HB ALA 46 2HB ALA 46 -4.367 -10.918 -1.318 304 3HB ALA 46 3HB ALA 46 -5.976 -10.615 -1.974 305 H THR 47 H THR 47 -2.583 -10.203 -5.040 306 HA THR 47 HA THR 47 -0.335 -10.598 -3.325 307 HB THR 47 HB THR 47 0.922 -10.193 -5.555 308 HG1 THR 47 HG1 THR 47 -1.564 -10.694 -6.737 309 1HG2 THR 47 1HG2 THR 47 0.020 -12.446 -4.492 310 2HG2 THR 47 2HG2 THR 47 -0.990 -12.416 -5.939 311 3HG2 THR 47 3HG2 THR 47 0.767 -12.386 -6.089 312 H CYS 48 H CYS 48 -2.088 -7.895 -3.927 313 HA CYS 48 HA CYS 48 0.177 -6.047 -3.975 314 1HB CYS 48 1HB CYS 48 -1.660 -4.314 -4.154 315 2HB CYS 48 2HB CYS 48 -1.555 -5.445 -5.500 316 H ARG 49 H ARG 49 -0.695 -7.758 -1.631 317 HA ARG 49 HA ARG 49 -1.938 -6.291 0.352 318 1HB ARG 49 1HB ARG 49 -1.032 -8.751 0.313 319 2HB ARG 49 2HB ARG 49 0.396 -8.031 1.044 320 1HG ARG 49 1HG ARG 49 -1.004 -8.857 2.788 321 2HG ARG 49 2HG ARG 49 -1.061 -7.094 2.827 322 1HD ARG 49 1HD ARG 49 -3.141 -7.554 1.210 323 2HD ARG 49 2HD ARG 49 -3.171 -9.053 2.136 324 HE ARG 49 HE ARG 49 -2.977 -7.090 4.024 325 1HH1 ARG 49 1HH1 ARG 49 -5.165 -7.778 1.404 326 2HH1 ARG 49 2HH1 ARG 49 -6.535 -7.065 2.188 327 1HH2 ARG 49 1HH2 ARG 49 -4.773 -6.144 5.065 328 2HH2 ARG 49 2HH2 ARG 49 -6.312 -6.136 4.270 329 H ILE 50 H ILE 50 -1.226 -4.111 0.018 330 HA ILE 50 HA ILE 50 1.513 -3.496 0.837 331 HB ILE 50 HB ILE 50 -0.681 -1.814 -0.365 332 1HG1 ILE 50 1HG1 ILE 50 0.927 -3.382 -1.697 333 2HG1 ILE 50 2HG1 ILE 50 0.632 -1.747 -2.281 334 1HG2 ILE 50 1HG2 ILE 50 1.856 -0.961 0.972 335 2HG2 ILE 50 2HG2 ILE 50 1.181 -0.018 -0.356 336 3HG2 ILE 50 3HG2 ILE 50 0.236 -0.278 1.110 337 1HD1 ILE 50 1HD1 ILE 50 2.882 -1.916 -0.445 338 2HD1 ILE 50 2HD1 ILE 50 3.082 -2.900 -1.896 339 3HD1 ILE 50 3HD1 ILE 50 2.767 -1.171 -2.039 340 H GLU 51 H GLU 51 1.956 -2.053 2.574 341 HA GLU 51 HA GLU 51 -0.291 -1.692 4.438 342 1HB GLU 51 1HB GLU 51 2.232 -3.144 4.833 343 2HB GLU 51 2HB GLU 51 1.832 -2.016 6.122 344 1HG GLU 51 1HG GLU 51 -0.354 -3.098 6.375 345 2HG GLU 51 2HG GLU 51 0.079 -4.244 5.107 346 H ILE 52 H ILE 52 -0.614 0.418 4.592 347 HA ILE 52 HA ILE 52 1.371 2.418 4.190 348 HB ILE 52 HB ILE 52 -1.372 2.499 5.475 349 1HG1 ILE 52 1HG1 ILE 52 -1.119 2.012 2.989 350 2HG1 ILE 52 2HG1 ILE 52 -2.158 3.362 3.432 351 1HG2 ILE 52 1HG2 ILE 52 0.635 4.669 5.067 352 2HG2 ILE 52 2HG2 ILE 52 -1.083 5.036 4.946 353 3HG2 ILE 52 3HG2 ILE 52 -0.432 4.362 6.436 354 1HD1 ILE 52 1HD1 ILE 52 -0.196 4.862 3.039 355 2HD1 ILE 52 2HD1 ILE 52 0.623 3.467 2.337 356 3HD1 ILE 52 3HD1 ILE 52 -0.864 4.078 1.606 357 H GLU 53 H GLU 53 2.709 3.469 5.755 358 HA GLU 53 HA GLU 53 3.178 2.047 8.157 359 1HB GLU 53 1HB GLU 53 4.478 3.909 8.950 360 2HB GLU 53 2HB GLU 53 4.730 3.775 7.214 361 1HG GLU 53 1HG GLU 53 3.165 5.770 8.750 362 2HG GLU 53 2HG GLU 53 4.446 6.030 7.589 363 H ASP 54 H ASP 54 2.886 3.312 10.457 364 HA ASP 54 HA ASP 54 -0.011 3.560 10.675 365 1HB ASP 54 1HB ASP 54 2.047 2.539 12.373 366 2HB ASP 54 2HB ASP 54 1.211 3.831 13.230 367 H ALA 55 H ALA 55 1.711 5.675 9.596 368 HA ALA 55 HA ALA 55 1.043 7.860 11.456 369 1HB ALA 55 1HB ALA 55 3.380 7.287 9.829 370 2HB ALA 55 2HB ALA 55 2.735 8.900 9.522 371 3HB ALA 55 3HB ALA 55 3.192 8.426 11.163 372 H TRP 56 H TRP 56 0.752 6.541 8.298 373 HA TRP 56 HA TRP 56 -0.709 8.891 7.363 374 1HB TRP 56 1HB TRP 56 0.641 6.676 5.882 375 2HB TRP 56 2HB TRP 56 -0.135 8.057 5.141 376 HD1 TRP 56 HD1 TRP 56 2.618 7.409 7.763 377 HE1 TRP 56 HE1 TRP 56 4.426 9.173 7.497 378 HE3 TRP 56 HE3 TRP 56 0.403 10.166 4.066 379 HZ2 TRP 56 HZ2 TRP 56 4.862 11.478 5.934 380 HZ3 TRP 56 HZ3 TRP 56 1.627 12.138 3.230 381 HH2 TRP 56 HH2 TRP 56 3.786 12.779 4.136 382 H VAL 57 H VAL 57 -1.599 6.070 8.673 383 HA VAL 57 HA VAL 57 -3.391 5.109 6.698 384 HB VAL 57 HB VAL 57 -3.566 4.837 9.695 385 1HG1 VAL 57 1HG1 VAL 57 -5.611 4.382 8.348 386 2HG1 VAL 57 2HG1 VAL 57 -4.710 3.109 7.526 387 3HG1 VAL 57 3HG1 VAL 57 -5.007 2.995 9.261 388 1HG2 VAL 57 1HG2 VAL 57 -1.444 4.186 8.499 389 2HG2 VAL 57 2HG2 VAL 57 -2.211 2.940 9.490 390 3HG2 VAL 57 3HG2 VAL 57 -2.394 2.913 7.733 391 H GLU 58 H GLU 58 -3.474 7.428 9.269 392 HA GLU 58 HA GLU 58 -6.274 8.047 8.883 393 1HB GLU 58 1HB GLU 58 -4.093 9.238 10.593 394 2HB GLU 58 2HB GLU 58 -5.665 10.008 10.439 395 1HG GLU 58 1HG GLU 58 -6.079 7.269 11.053 396 2HG GLU 58 2HG GLU 58 -4.883 7.918 12.173 397 H ILE 59 H ILE 59 -3.498 8.570 7.225 398 HA ILE 59 HA ILE 59 -4.270 11.245 6.234 399 HB ILE 59 HB ILE 59 -1.720 9.675 6.092 400 1HG1 ILE 59 1HG1 ILE 59 -1.870 12.580 6.620 401 2HG1 ILE 59 2HG1 ILE 59 -2.488 11.502 7.869 402 1HG2 ILE 59 1HG2 ILE 59 -2.747 11.551 4.096 403 2HG2 ILE 59 2HG2 ILE 59 -1.134 11.936 4.694 404 3HG2 ILE 59 3HG2 ILE 59 -1.454 10.358 3.975 405 1HD1 ILE 59 1HD1 ILE 59 0.039 10.586 6.896 406 2HD1 ILE 59 2HD1 ILE 59 0.144 12.265 7.425 407 3HD1 ILE 59 3HD1 ILE 59 -0.446 11.029 8.533 408 H VAL 60 H VAL 60 -3.672 7.941 5.377 409 HA VAL 60 HA VAL 60 -4.146 8.390 2.559 410 HB VAL 60 HB VAL 60 -3.462 5.935 4.150 411 1HG1 VAL 60 1HG1 VAL 60 -4.037 6.276 1.228 412 2HG1 VAL 60 2HG1 VAL 60 -2.964 5.002 1.807 413 3HG1 VAL 60 3HG1 VAL 60 -4.646 5.050 2.345 414 1HG2 VAL 60 1HG2 VAL 60 -1.844 8.010 3.546 415 2HG2 VAL 60 2HG2 VAL 60 -1.294 6.339 3.681 416 3HG2 VAL 60 3HG2 VAL 60 -1.645 7.020 2.096 417 H GLY 61 H GLY 61 -5.473 6.181 5.008 418 1HA GLY 61 1HA GLY 61 -7.550 5.143 5.084 419 2HA GLY 61 2HA GLY 61 -8.177 6.651 4.410 420 H GLU 62 H GLU 62 -6.191 3.927 3.402 421 HA GLU 62 HA GLU 62 -6.443 4.060 0.714 422 1HB GLU 62 1HB GLU 62 -6.200 1.683 2.544 423 2HB GLU 62 2HB GLU 62 -6.096 1.527 0.800 424 1HG GLU 62 1HG GLU 62 -4.264 3.317 0.954 425 2HG GLU 62 2HG GLU 62 -4.243 2.939 2.675 426 H ALA 63 H ALA 63 -7.803 1.049 1.052 427 HA ALA 63 HA ALA 63 -10.107 1.836 -0.338 428 1HB ALA 63 1HB ALA 63 -8.793 -0.633 0.228 429 2HB ALA 63 2HB ALA 63 -10.528 -0.786 0.527 430 3HB ALA 63 3HB ALA 63 -9.945 -0.253 -1.051 431 H ASN 64 H ASN 64 -12.301 1.257 0.222 432 HA ASN 64 HA ASN 64 -12.949 2.144 2.879 433 1HB ASN 64 1HB ASN 64 -15.062 2.636 1.965 434 2HB ASN 64 2HB ASN 64 -13.970 2.907 0.620 435 1HD2 ASN 64 2HD2 ASN 64 -16.877 1.858 1.145 436 2HD2 ASN 64 1HD2 ASN 64 -16.997 0.559 0.012 437 HA PRO 65 HA PRO 65 -14.558 -1.595 4.588 438 1HB PRO 65 1HB PRO 65 -17.392 -0.870 4.343 439 2HB PRO 65 2HB PRO 65 -16.406 -1.074 5.793 440 1HG PRO 65 1HG PRO 65 -17.246 1.348 4.947 441 2HG PRO 65 2HG PRO 65 -15.700 1.115 5.782 442 1HD PRO 65 1HD PRO 65 -16.233 1.493 2.860 443 2HD PRO 65 2HD PRO 65 -14.908 2.125 3.850 444 H ASP 66 H ASP 66 -15.223 -0.985 1.388 445 HA ASP 66 HA ASP 66 -16.948 -3.292 0.978 446 1HB ASP 66 1HB ASP 66 -16.083 -0.991 -0.636 447 2HB ASP 66 2HB ASP 66 -16.193 -2.501 -1.530 448 H GLU 67 H GLU 67 -13.615 -2.308 0.507 449 HA GLU 67 HA GLU 67 -12.916 -4.835 -0.749 450 1HB GLU 67 1HB GLU 67 -11.649 -3.106 -1.655 451 2HB GLU 67 2HB GLU 67 -11.444 -2.306 -0.102 452 1HG GLU 67 1HG GLU 67 -10.207 -4.979 -0.575 453 2HG GLU 67 2HG GLU 67 -9.446 -3.524 -1.215 454 H ASN 68 H ASN 68 -12.483 -3.159 2.312 455 HA ASN 68 HA ASN 68 -10.813 -5.111 3.520 456 1HB ASN 68 1HB ASN 68 -11.052 -2.736 4.293 457 2HB ASN 68 2HB ASN 68 -12.653 -3.147 4.901 458 1HD2 ASN 68 2HD2 ASN 68 -12.778 -4.823 6.541 459 2HD2 ASN 68 1HD2 ASN 68 -11.473 -5.002 7.657 460 H ASP 69 H ASP 69 -14.237 -4.803 3.067 461 HA ASP 69 HA ASP 69 -14.907 -6.808 5.039 462 1HB ASP 69 1HB ASP 69 -16.463 -4.955 4.563 463 2HB ASP 69 2HB ASP 69 -16.626 -5.522 2.904 464 H LEU 70 H LEU 70 -14.400 -6.601 1.585 465 HA LEU 70 HA LEU 70 -15.433 -9.204 0.993 466 1HB LEU 70 1HB LEU 70 -14.996 -8.722 -1.185 467 2HB LEU 70 2HB LEU 70 -14.990 -7.089 -0.547 468 HG LEU 70 HG LEU 70 -12.415 -7.512 -0.273 469 1HD1 LEU 70 1HD1 LEU 70 -13.051 -9.963 -1.216 470 2HD1 LEU 70 2HD1 LEU 70 -12.633 -9.134 -2.716 471 3HD1 LEU 70 3HD1 LEU 70 -11.465 -9.213 -1.396 472 1HD2 LEU 70 1HD2 LEU 70 -13.859 -6.041 -1.943 473 2HD2 LEU 70 2HD2 LEU 70 -12.115 -6.222 -2.124 474 3HD2 LEU 70 3HD2 LEU 70 -13.209 -7.188 -3.113 475 H LEU 71 H LEU 71 -12.426 -7.943 2.111 476 HA LEU 71 HA LEU 71 -10.914 -10.312 1.396 477 1HB LEU 71 1HB LEU 71 -10.277 -7.645 1.981 478 2HB LEU 71 2HB LEU 71 -9.608 -8.582 3.303 479 HG LEU 71 HG LEU 71 -7.884 -8.368 1.696 480 1HD1 LEU 71 1HD1 LEU 71 -8.985 -10.889 2.349 481 2HD1 LEU 71 2HD1 LEU 71 -8.405 -10.974 0.686 482 3HD1 LEU 71 3HD1 LEU 71 -7.309 -10.487 1.979 483 1HD2 LEU 71 1HD2 LEU 71 -9.663 -7.859 -0.147 484 2HD2 LEU 71 2HD2 LEU 71 -8.097 -8.539 -0.589 485 3HD2 LEU 71 3HD2 LEU 71 -9.515 -9.583 -0.486 486 H GLN 72 H GLN 72 -12.335 -8.835 4.260 487 HA GLN 72 HA GLN 72 -11.233 -10.585 6.173 488 1HB GLN 72 1HB GLN 72 -13.560 -8.721 6.095 489 2HB GLN 72 2HB GLN 72 -13.480 -9.893 7.404 490 1HG GLN 72 1HG GLN 72 -10.969 -8.487 6.976 491 2HG GLN 72 2HG GLN 72 -12.310 -7.416 7.379 492 1HE2 GLN 72 2HE2 GLN 72 -10.191 -9.897 8.491 493 2HE2 GLN 72 1HE2 GLN 72 -10.677 -9.870 10.149 494 H SER 73 H SER 73 -13.941 -10.861 4.004 495 HA SER 73 HA SER 73 -15.441 -12.858 5.180 496 1HB SER 73 1HB SER 73 -16.157 -11.747 3.137 497 2HB SER 73 2HB SER 73 -14.812 -12.460 2.245 498 HG SER 73 HG SER 73 -16.853 -13.574 2.003 499 H THR 74 H THR 74 -12.261 -13.027 3.900 500 HA THR 74 HA THR 74 -12.185 -15.815 3.335 501 HB THR 74 HB THR 74 -9.795 -15.541 3.166 502 HG1 THR 74 HG1 THR 74 -10.281 -13.288 4.751 503 1HG2 THR 74 1HG2 THR 74 -11.586 -13.719 1.857 504 2HG2 THR 74 2HG2 THR 74 -9.996 -12.988 2.081 505 3HG2 THR 74 3HG2 THR 74 -10.147 -14.528 1.236 506 H GLY 75 H GLY 75 -11.378 -13.852 6.162 507 1HA GLY 75 1HA GLY 75 -11.803 -14.785 8.363 508 2HA GLY 75 2HA GLY 75 -11.285 -16.344 7.739 509 H GLU 76 H GLU 76 -9.484 -13.547 6.820 510 HA GLU 76 HA GLU 76 -7.339 -14.356 8.671 511 1HB GLU 76 1HB GLU 76 -7.226 -13.296 5.855 512 2HB GLU 76 2HB GLU 76 -5.824 -13.270 6.915 513 1HG GLU 76 1HG GLU 76 -5.922 -15.689 7.131 514 2HG GLU 76 2HG GLU 76 -7.357 -15.732 6.107 515 HA PRO 77 HA PRO 77 -8.270 -10.362 10.538 516 1HB PRO 77 1HB PRO 77 -5.723 -11.101 11.904 517 2HB PRO 77 2HB PRO 77 -7.245 -10.528 12.596 518 1HG PRO 77 1HG PRO 77 -6.585 -13.091 12.770 519 2HG PRO 77 2HG PRO 77 -8.259 -12.615 12.427 520 1HD PRO 77 1HD PRO 77 -6.170 -13.680 10.571 521 2HD PRO 77 2HD PRO 77 -7.917 -13.998 10.606 522 H MET 78 H MET 78 -7.221 -8.305 10.663 523 HA MET 78 HA MET 78 -4.792 -8.042 9.028 524 1HB MET 78 1HB MET 78 -6.966 -5.993 8.841 525 2HB MET 78 2HB MET 78 -5.689 -6.367 7.691 526 1HG MET 78 1HG MET 78 -6.821 -8.153 6.801 527 2HG MET 78 2HG MET 78 -7.779 -8.410 8.258 528 1HE MET 78 1HE MET 78 -8.924 -6.339 9.206 529 2HE MET 78 2HE MET 78 -9.489 -4.958 8.265 530 3HE MET 78 3HE MET 78 -10.499 -6.396 8.415 531 H THR 79 H THR 79 -4.327 -5.411 9.132 532 HA THR 79 HA THR 79 -4.374 -4.687 11.984 533 HB THR 79 HB THR 79 -2.024 -3.639 11.354 534 HG1 THR 79 HG1 THR 79 -2.510 -4.855 9.160 535 1HG2 THR 79 1HG2 THR 79 -2.801 -6.137 12.540 536 2HG2 THR 79 2HG2 THR 79 -1.254 -6.284 11.706 537 3HG2 THR 79 3HG2 THR 79 -1.470 -5.057 12.953 538 H ALA 80 H ALA 80 -3.265 -2.286 12.020 539 HA ALA 80 HA ALA 80 -5.197 -0.649 10.661 540 1HB ALA 80 1HB ALA 80 -3.285 -0.323 12.839 541 2HB ALA 80 2HB ALA 80 -3.410 1.096 11.797 542 3HB ALA 80 3HB ALA 80 -4.851 0.445 12.578 543 H GLY 81 H GLY 81 -4.977 0.282 8.741 544 1HA GLY 81 1HA GLY 81 -3.875 1.519 7.076 545 2HA GLY 81 2HA GLY 81 -2.337 1.091 7.808 546 H THR 82 H THR 82 -3.962 -1.724 7.689 547 HA THR 82 HA THR 82 -2.457 -2.664 5.433 548 HB THR 82 HB THR 82 -4.516 -4.453 6.533 549 HG1 THR 82 HG1 THR 82 -2.580 -3.248 8.199 550 1HG2 THR 82 1HG2 THR 82 -2.461 -5.089 5.165 551 2HG2 THR 82 2HG2 THR 82 -1.547 -4.813 6.648 552 3HG2 THR 82 3HG2 THR 82 -2.813 -6.041 6.608 553 H ARG 83 H ARG 83 -3.118 -2.367 3.407 554 HA ARG 83 HA ARG 83 -5.652 -3.264 2.491 555 1HB ARG 83 1HB ARG 83 -5.226 -0.310 2.846 556 2HB ARG 83 2HB ARG 83 -6.272 -0.916 1.570 557 1HG ARG 83 1HG ARG 83 -7.292 -2.271 3.634 558 2HG ARG 83 2HG ARG 83 -6.680 -0.853 4.491 559 1HD ARG 83 1HD ARG 83 -8.257 -0.477 1.990 560 2HD ARG 83 2HD ARG 83 -9.104 -0.872 3.484 561 HE ARG 83 HE ARG 83 -8.021 1.648 2.776 562 1HH1 ARG 83 1HH1 ARG 83 -8.372 -0.514 5.483 563 2HH1 ARG 83 2HH1 ARG 83 -8.399 0.752 6.664 564 1HH2 ARG 83 1HH2 ARG 83 -8.063 3.330 4.331 565 2HH2 ARG 83 2HH2 ARG 83 -8.222 2.936 6.009 566 H LEU 84 H LEU 84 -5.776 -3.336 0.211 567 HA LEU 84 HA LEU 84 -3.318 -3.523 -1.141 568 1HB LEU 84 1HB LEU 84 -4.756 -3.613 -3.216 569 2HB LEU 84 2HB LEU 84 -5.096 -4.818 -1.988 570 HG LEU 84 HG LEU 84 -6.891 -2.988 -1.240 571 1HD1 LEU 84 1HD1 LEU 84 -5.981 -2.093 -3.825 572 2HD1 LEU 84 2HD1 LEU 84 -7.698 -2.492 -3.859 573 3HD1 LEU 84 3HD1 LEU 84 -7.090 -1.320 -2.692 574 1HD2 LEU 84 1HD2 LEU 84 -6.890 -5.405 -2.765 575 2HD2 LEU 84 2HD2 LEU 84 -8.131 -4.774 -1.683 576 3HD2 LEU 84 3HD2 LEU 84 -8.135 -4.322 -3.388 577 H SER 85 H SER 85 -2.317 -2.177 -2.638 578 HA SER 85 HA SER 85 -2.954 0.640 -2.301 579 1HB SER 85 1HB SER 85 -0.566 -0.833 -3.389 580 2HB SER 85 2HB SER 85 -0.733 0.916 -3.550 581 HG SER 85 HG SER 85 -0.858 1.036 -1.275 582 H CYS 86 H CYS 86 -2.976 -1.795 -4.822 583 HA CYS 86 HA CYS 86 -2.946 -0.311 -7.115 584 1HB CYS 86 1HB CYS 86 -4.342 -2.024 -8.156 585 2HB CYS 86 2HB CYS 86 -3.130 -2.753 -7.111 586 H GLN 87 H GLN 87 -5.354 -0.215 -4.652 587 HA GLN 87 HA GLN 87 -7.095 1.358 -6.429 588 1HB GLN 87 1HB GLN 87 -7.910 -0.801 -5.189 589 2HB GLN 87 2HB GLN 87 -8.034 0.274 -3.803 590 1HG GLN 87 1HG GLN 87 -9.625 1.644 -4.894 591 2HG GLN 87 2HG GLN 87 -9.341 0.855 -6.443 592 1HE2 GLN 87 2HE2 GLN 87 -11.512 1.122 -4.087 593 2HE2 GLN 87 1HE2 GLN 87 -12.263 -0.433 -4.161 594 H VAL 88 H VAL 88 -4.688 1.999 -4.423 595 HA VAL 88 HA VAL 88 -6.090 4.232 -3.124 596 HB VAL 88 HB VAL 88 -3.630 2.714 -2.283 597 1HG1 VAL 88 1HG1 VAL 88 -3.461 5.148 -1.947 598 2HG1 VAL 88 2HG1 VAL 88 -4.899 5.072 -0.928 599 3HG1 VAL 88 3HG1 VAL 88 -3.432 4.220 -0.445 600 1HG2 VAL 88 1HG2 VAL 88 -5.960 1.750 -1.876 601 2HG2 VAL 88 2HG2 VAL 88 -4.885 1.886 -0.489 602 3HG2 VAL 88 3HG2 VAL 88 -6.176 3.060 -0.723 603 H PHE 89 H PHE 89 -5.702 6.030 -4.339 604 HA PHE 89 HA PHE 89 -3.024 6.306 -5.497 605 1HB PHE 89 1HB PHE 89 -5.537 7.731 -6.336 606 2HB PHE 89 2HB PHE 89 -3.997 7.695 -7.195 607 HD1 PHE 89 HD1 PHE 89 -3.721 4.666 -6.245 608 HD2 PHE 89 HD2 PHE 89 -6.570 6.901 -8.478 609 HE1 PHE 89 HE1 PHE 89 -4.420 2.597 -7.406 610 HE2 PHE 89 HE2 PHE 89 -7.281 4.848 -9.649 611 HZ PHE 89 HZ PHE 89 -6.203 2.690 -9.116 612 H ILE 90 H ILE 90 -1.845 8.075 -5.379 613 HA ILE 90 HA ILE 90 -1.748 9.596 -3.090 614 HB ILE 90 HB ILE 90 -0.584 10.032 -5.835 615 1HG1 ILE 90 1HG1 ILE 90 -0.063 8.044 -4.130 616 2HG1 ILE 90 2HG1 ILE 90 1.183 8.766 -5.145 617 1HG2 ILE 90 1HG2 ILE 90 -0.181 11.574 -3.313 618 2HG2 ILE 90 2HG2 ILE 90 1.141 11.353 -4.452 619 3HG2 ILE 90 3HG2 ILE 90 -0.336 12.164 -4.961 620 1HD1 ILE 90 1HD1 ILE 90 1.818 10.252 -3.289 621 2HD1 ILE 90 2HD1 ILE 90 0.592 9.463 -2.288 622 3HD1 ILE 90 3HD1 ILE 90 1.969 8.534 -2.873 623 H ASP 91 H ASP 91 -1.919 11.883 -2.807 624 HA ASP 91 HA ASP 91 -3.283 13.633 -4.510 625 1HB ASP 91 1HB ASP 91 -5.444 13.560 -3.748 626 2HB ASP 91 2HB ASP 91 -5.023 11.914 -3.304 627 HA PRO 92 HA PRO 92 -1.165 16.374 -1.749 628 1HB PRO 92 1HB PRO 92 -3.538 18.132 -1.521 629 2HB PRO 92 2HB PRO 92 -1.932 18.489 -2.167 630 1HG PRO 92 1HG PRO 92 -4.025 18.221 -3.802 631 2HG PRO 92 2HG PRO 92 -2.430 17.591 -4.256 632 1HD PRO 92 1HD PRO 92 -4.800 16.118 -3.156 633 2HD PRO 92 2HD PRO 92 -3.724 15.653 -4.496 634 H SER 93 H SER 93 -2.743 14.239 -0.533 635 HA SER 93 HA SER 93 -3.188 15.345 2.140 636 1HB SER 93 1HB SER 93 -5.199 14.284 2.271 637 2HB SER 93 2HB SER 93 -5.100 14.200 0.501 638 HG SER 93 HG SER 93 -4.696 12.130 0.628 639 H MET 94 H MET 94 -2.006 12.811 0.082 640 HA MET 94 HA MET 94 -0.683 11.446 2.312 641 1HB MET 94 1HB MET 94 -1.652 10.436 -0.371 642 2HB MET 94 2HB MET 94 -0.672 9.486 0.726 643 1HG MET 94 1HG MET 94 -2.411 8.995 2.044 644 2HG MET 94 2HG MET 94 -3.083 10.619 1.931 645 1HE MET 94 1HE MET 94 -2.258 7.499 0.044 646 2HE MET 94 2HE MET 94 -3.700 7.098 -0.890 647 3HE MET 94 3HE MET 94 -2.551 8.284 -1.508 648 H ASP 95 H ASP 95 0.499 13.693 1.295 649 HA ASP 95 HA ASP 95 2.334 12.906 -0.734 650 1HB ASP 95 1HB ASP 95 2.694 15.527 0.541 651 2HB ASP 95 2HB ASP 95 2.594 15.143 -1.161 652 H GLY 96 H GLY 96 4.325 12.161 -0.309 653 1HA GLY 96 1HA GLY 96 6.282 11.794 0.918 654 2HA GLY 96 2HA GLY 96 5.695 12.942 2.110 655 H LEU 97 H LEU 97 3.675 10.353 0.967 656 HA LEU 97 HA LEU 97 3.369 9.458 3.634 657 1HB LEU 97 1HB LEU 97 1.577 8.149 2.986 658 2HB LEU 97 2HB LEU 97 1.503 9.553 1.955 659 HG LEU 97 HG LEU 97 0.935 7.300 0.941 660 1HD1 LEU 97 1HD1 LEU 97 2.791 9.295 -0.239 661 2HD1 LEU 97 2HD1 LEU 97 2.325 7.868 -1.164 662 3HD1 LEU 97 3HD1 LEU 97 1.092 8.982 -0.580 663 1HD2 LEU 97 1HD2 LEU 97 2.956 6.150 1.941 664 2HD2 LEU 97 2HD2 LEU 97 2.607 5.821 0.244 665 3HD2 LEU 97 3HD2 LEU 97 3.900 6.936 0.678 666 H ILE 98 H ILE 98 3.498 7.301 4.362 667 HA ILE 98 HA ILE 98 5.912 6.056 3.309 668 HB ILE 98 HB ILE 98 4.889 6.057 6.084 669 1HG1 ILE 98 1HG1 ILE 98 6.938 7.367 6.548 670 2HG1 ILE 98 2HG1 ILE 98 7.247 7.405 4.809 671 1HG2 ILE 98 1HG2 ILE 98 6.193 3.990 5.170 672 2HG2 ILE 98 2HG2 ILE 98 7.581 5.050 5.421 673 3HG2 ILE 98 3HG2 ILE 98 6.523 4.650 6.774 674 1HD1 ILE 98 1HD1 ILE 98 4.564 8.199 5.500 675 2HD1 ILE 98 2HD1 ILE 98 5.788 9.240 6.228 676 3HD1 ILE 98 3HD1 ILE 98 5.749 9.012 4.478 677 H VAL 99 H VAL 99 5.982 3.926 2.831 678 HA VAL 99 HA VAL 99 3.570 2.415 3.438 679 HB VAL 99 HB VAL 99 4.959 1.613 1.032 680 1HG1 VAL 99 1HG1 VAL 99 2.311 1.668 2.257 681 2HG1 VAL 99 2HG1 VAL 99 2.332 1.833 0.495 682 3HG1 VAL 99 3HG1 VAL 99 3.086 0.431 1.255 683 1HG2 VAL 99 1HG2 VAL 99 5.062 4.077 0.826 684 2HG2 VAL 99 2HG2 VAL 99 3.982 3.348 -0.362 685 3HG2 VAL 99 3HG2 VAL 99 3.315 4.142 1.064 686 H ARG 100 H ARG 100 3.735 0.152 3.637 687 HA ARG 100 HA ARG 100 6.453 -0.891 4.022 688 1HB ARG 100 1HB ARG 100 4.130 -1.336 5.908 689 2HB ARG 100 2HB ARG 100 5.724 -2.061 6.054 690 1HG ARG 100 1HG ARG 100 6.701 0.155 6.383 691 2HG ARG 100 2HG ARG 100 5.100 0.880 6.239 692 1HD ARG 100 1HD ARG 100 4.353 -0.144 8.235 693 2HD ARG 100 2HD ARG 100 5.746 -1.222 8.288 694 HE ARG 100 HE ARG 100 5.604 1.445 9.292 695 1HH1 ARG 100 1HH1 ARG 100 7.739 -0.927 7.903 696 2HH1 ARG 100 2HH1 ARG 100 9.167 -0.247 8.609 697 1HH2 ARG 100 1HH2 ARG 100 7.477 2.353 10.228 698 2HH2 ARG 100 2HH2 ARG 100 9.019 1.620 9.932 699 H VAL 101 H VAL 101 6.426 -3.333 4.185 700 HA VAL 101 HA VAL 101 4.313 -4.428 2.448 701 HB VAL 101 HB VAL 101 7.240 -5.184 2.452 702 1HG1 VAL 101 1HG1 VAL 101 5.651 -7.063 2.026 703 2HG1 VAL 101 2HG1 VAL 101 5.053 -6.169 0.627 704 3HG1 VAL 101 3HG1 VAL 101 6.733 -6.706 0.680 705 1HG2 VAL 101 1HG2 VAL 101 6.311 -2.972 1.350 706 2HG2 VAL 101 2HG2 VAL 101 7.528 -3.960 0.544 707 3HG2 VAL 101 3HG2 VAL 101 5.834 -4.090 0.072 708 HA PRO 102 HA PRO 102 3.855 -7.146 5.990 709 1HB PRO 102 1HB PRO 102 1.627 -8.384 5.139 710 2HB PRO 102 2HB PRO 102 1.593 -6.717 5.729 711 1HG PRO 102 1HG PRO 102 1.665 -7.722 2.904 712 2HG PRO 102 2HG PRO 102 0.646 -6.453 3.610 713 1HD PRO 102 1HD PRO 102 2.900 -5.909 2.198 714 2HD PRO 102 2HD PRO 102 2.327 -4.880 3.525 715 H LEU 103 H LEU 103 3.271 -9.607 6.107 716 HA LEU 103 HA LEU 103 3.861 -11.338 3.997 717 1HB LEU 103 1HB LEU 103 6.182 -10.236 5.409 718 2HB LEU 103 2HB LEU 103 6.168 -11.987 5.321 719 HG LEU 103 HG LEU 103 5.556 -10.748 2.755 720 1HD1 LEU 103 1HD1 LEU 103 7.157 -9.098 3.923 721 2HD1 LEU 103 2HD1 LEU 103 8.371 -10.355 3.689 722 3HD1 LEU 103 3HD1 LEU 103 7.546 -9.655 2.296 723 1HD2 LEU 103 1HD2 LEU 103 6.988 -13.011 3.873 724 2HD2 LEU 103 2HD2 LEU 103 6.221 -12.824 2.295 725 3HD2 LEU 103 3HD2 LEU 103 7.867 -12.244 2.551 726 HA PRO 104 HA PRO 104 2.311 -14.248 6.896 727 1HB PRO 104 1HB PRO 104 4.033 -16.339 5.758 728 2HB PRO 104 2HB PRO 104 2.273 -16.204 5.733 729 1HG PRO 104 1HG PRO 104 3.756 -15.845 3.517 730 2HG PRO 104 2HG PRO 104 2.262 -14.934 3.809 731 1HD PRO 104 1HD PRO 104 5.112 -14.072 4.160 732 2HD PRO 104 2HD PRO 104 3.734 -13.168 3.494 733 H ALA 105 H ALA 105 3.874 -12.910 8.384 734 HA ALA 105 HA ALA 105 5.422 -14.892 9.865 735 1HB ALA 105 1HB ALA 105 6.689 -12.997 8.233 736 2HB ALA 105 2HB ALA 105 6.888 -12.425 9.889 737 3HB ALA 105 3HB ALA 105 7.430 -14.043 9.445 Start of MODEL 10 1 2H PRO 1 2H PRO 1 3.942 14.645 -5.389 2 1H PRO 1 1H PRO 1 4.730 13.203 -5.526 3 HA PRO 1 HA PRO 1 4.448 14.795 -3.381 4 1HB PRO 1 1HB PRO 1 3.504 12.098 -2.609 5 2HB PRO 1 2HB PRO 1 3.125 13.660 -1.912 6 1HG PRO 1 1HG PRO 1 1.335 12.533 -3.376 7 2HG PRO 1 2HG PRO 1 1.699 14.244 -3.666 8 1HD PRO 1 1HD PRO 1 2.801 11.845 -5.122 9 2HD PRO 1 2HD PRO 1 1.963 13.235 -5.812 10 H ARG 2 H ARG 2 5.129 13.081 -1.441 11 HA ARG 2 HA ARG 2 7.628 11.821 -2.430 12 1HB ARG 2 1HB ARG 2 8.548 13.438 -1.090 13 2HB ARG 2 2HB ARG 2 7.084 13.629 -0.140 14 1HG ARG 2 1HG ARG 2 8.601 12.790 1.385 15 2HG ARG 2 2HG ARG 2 7.716 11.349 0.892 16 1HD ARG 2 1HD ARG 2 9.556 10.403 0.060 17 2HD ARG 2 2HD ARG 2 9.991 11.864 -0.827 18 HE ARG 2 HE ARG 2 10.635 12.435 1.756 19 1HH1 ARG 2 1HH1 ARG 2 11.457 9.878 -0.459 20 2HH1 ARG 2 2HH1 ARG 2 13.020 9.602 0.237 21 1HH2 ARG 2 1HH2 ARG 2 12.688 12.079 2.683 22 2HH2 ARG 2 2HH2 ARG 2 13.719 10.853 2.024 23 H VAL 3 H VAL 3 8.257 9.794 -1.129 24 HA VAL 3 HA VAL 3 6.094 8.799 0.489 25 HB VAL 3 HB VAL 3 6.452 8.063 -2.320 26 1HG1 VAL 3 1HG1 VAL 3 7.235 6.024 -0.959 27 2HG1 VAL 3 2HG1 VAL 3 5.534 5.882 -0.528 28 3HG1 VAL 3 3HG1 VAL 3 6.028 5.849 -2.231 29 1HG2 VAL 3 1HG2 VAL 3 4.322 8.113 -0.287 30 2HG2 VAL 3 2HG2 VAL 3 4.424 8.976 -1.826 31 3HG2 VAL 3 3HG2 VAL 3 4.094 7.241 -1.802 32 H VAL 4 H VAL 4 6.511 6.501 1.178 33 HA VAL 4 HA VAL 4 9.276 5.717 1.088 34 HB VAL 4 HB VAL 4 8.110 6.786 3.626 35 1HG1 VAL 4 1HG1 VAL 4 9.765 4.401 3.307 36 2HG1 VAL 4 2HG1 VAL 4 10.502 5.623 4.348 37 3HG1 VAL 4 3HG1 VAL 4 8.898 4.992 4.728 38 1HG2 VAL 4 1HG2 VAL 4 10.635 7.113 2.046 39 2HG2 VAL 4 2HG2 VAL 4 9.429 8.338 2.449 40 3HG2 VAL 4 3HG2 VAL 4 10.488 7.693 3.707 41 H PHE 5 H PHE 5 9.118 3.752 0.555 42 HA PHE 5 HA PHE 5 6.978 2.026 1.588 43 1HB PHE 5 1HB PHE 5 9.053 1.725 -0.572 44 2HB PHE 5 2HB PHE 5 8.058 0.385 -0.041 45 HD1 PHE 5 HD1 PHE 5 6.662 3.835 -0.384 46 HD2 PHE 5 HD2 PHE 5 7.163 -0.002 -2.160 47 HE1 PHE 5 HE1 PHE 5 5.070 4.410 -2.140 48 HE2 PHE 5 HE2 PHE 5 5.576 0.552 -3.872 49 HZ PHE 5 HZ PHE 5 4.496 2.756 -3.880 50 H ILE 6 H ILE 6 7.814 -0.307 1.962 51 HA ILE 6 HA ILE 6 10.429 -0.522 3.135 52 HB ILE 6 HB ILE 6 8.157 -1.389 4.848 53 1HG1 ILE 6 1HG1 ILE 6 7.918 1.064 4.170 54 2HG1 ILE 6 2HG1 ILE 6 7.937 0.710 5.890 55 1HG2 ILE 6 1HG2 ILE 6 11.001 -1.209 4.936 56 2HG2 ILE 6 2HG2 ILE 6 10.289 -0.346 6.297 57 3HG2 ILE 6 3HG2 ILE 6 9.897 -2.045 6.026 58 1HD1 ILE 6 1HD1 ILE 6 10.560 1.258 4.775 59 2HD1 ILE 6 2HD1 ILE 6 9.429 2.598 4.625 60 3HD1 ILE 6 3HD1 ILE 6 9.779 1.912 6.213 61 H ASP 7 H ASP 7 10.891 -2.784 3.796 62 HA ASP 7 HA ASP 7 9.116 -4.881 3.177 63 1HB ASP 7 1HB ASP 7 9.855 -3.937 0.870 64 2HB ASP 7 2HB ASP 7 11.359 -4.789 1.204 65 H GLU 8 H GLU 8 10.226 -7.003 3.131 66 HA GLU 8 HA GLU 8 12.150 -7.087 5.275 67 1HB GLU 8 1HB GLU 8 10.757 -8.831 5.644 68 2HB GLU 8 2HB GLU 8 10.312 -8.965 3.950 69 1HG GLU 8 1HG GLU 8 11.365 -10.977 4.476 70 2HG GLU 8 2HG GLU 8 12.575 -10.053 3.592 71 H GLN 9 H GLN 9 12.396 -6.743 1.989 72 HA GLN 9 HA GLN 9 14.780 -8.376 1.667 73 1HB GLN 9 1HB GLN 9 12.966 -6.871 -0.133 74 2HB GLN 9 2HB GLN 9 14.646 -6.998 -0.641 75 1HG GLN 9 1HG GLN 9 13.269 -9.472 0.243 76 2HG GLN 9 2HG GLN 9 12.832 -8.790 -1.323 77 1HE2 GLN 9 2HE2 GLN 9 15.980 -8.711 0.247 78 2HE2 GLN 9 1HE2 GLN 9 16.803 -9.657 -0.942 79 H SER 10 H SER 10 13.855 -4.994 1.934 80 HA SER 10 HA SER 10 16.706 -4.316 2.221 81 1HB SER 10 1HB SER 10 15.435 -3.541 0.049 82 2HB SER 10 2HB SER 10 14.790 -2.298 1.118 83 HG SER 10 HG SER 10 16.856 -1.878 -0.068 84 H GLY 11 H GLY 11 13.679 -4.374 3.654 85 1HA GLY 11 1HA GLY 11 12.900 -3.530 5.649 86 2HA GLY 11 2HA GLY 11 14.562 -3.110 6.006 87 H GLU 12 H GLU 12 13.303 -1.804 3.140 88 HA GLU 12 HA GLU 12 11.874 0.401 3.855 89 1HB GLU 12 1HB GLU 12 13.406 1.331 5.308 90 2HB GLU 12 2HB GLU 12 14.790 0.776 4.376 91 1HG GLU 12 1HG GLU 12 14.302 2.444 2.657 92 2HG GLU 12 2HG GLU 12 12.916 3.002 3.593 93 H TYR 13 H TYR 13 11.443 1.731 2.188 94 HA TYR 13 HA TYR 13 13.065 1.600 -0.211 95 1HB TYR 13 1HB TYR 13 10.265 0.549 0.010 96 2HB TYR 13 2HB TYR 13 10.945 1.061 -1.533 97 HD1 TYR 13 HD1 TYR 13 11.542 -1.191 1.350 98 HD2 TYR 13 HD2 TYR 13 12.260 -0.412 -2.760 99 HE1 TYR 13 HE1 TYR 13 12.607 -3.407 1.130 100 HE2 TYR 13 HE2 TYR 13 13.293 -2.609 -3.022 101 HH TYR 13 HH TYR 13 13.702 -4.796 -0.231 102 H ALA 14 H ALA 14 13.090 3.798 1.062 103 HA ALA 14 HA ALA 14 11.020 5.625 0.976 104 1HB ALA 14 1HB ALA 14 13.989 5.892 0.889 105 2HB ALA 14 2HB ALA 14 12.990 7.320 0.618 106 3HB ALA 14 3HB ALA 14 12.848 6.417 2.127 107 H VAL 15 H VAL 15 10.049 6.817 -0.545 108 HA VAL 15 HA VAL 15 11.240 7.184 -3.143 109 HB VAL 15 HB VAL 15 10.185 4.876 -3.037 110 1HG1 VAL 15 1HG1 VAL 15 7.692 6.534 -3.038 111 2HG1 VAL 15 2HG1 VAL 15 7.752 4.924 -3.787 112 3HG1 VAL 15 3HG1 VAL 15 8.101 5.108 -2.073 113 1HG2 VAL 15 1HG2 VAL 15 10.315 6.827 -5.105 114 2HG2 VAL 15 2HG2 VAL 15 10.528 5.081 -5.207 115 3HG2 VAL 15 3HG2 VAL 15 8.913 5.779 -5.349 116 H ASP 16 H ASP 16 8.872 7.647 -4.480 117 HA ASP 16 HA ASP 16 7.413 9.698 -3.099 118 1HB ASP 16 1HB ASP 16 8.655 10.358 -5.706 119 2HB ASP 16 2HB ASP 16 8.018 11.449 -4.486 120 H ALA 17 H ALA 17 5.640 10.406 -4.385 121 HA ALA 17 HA ALA 17 5.026 8.678 -6.662 122 1HB ALA 17 1HB ALA 17 4.212 8.076 -4.237 123 2HB ALA 17 2HB ALA 17 2.928 9.221 -4.684 124 3HB ALA 17 3HB ALA 17 3.216 7.782 -5.680 125 H GLN 18 H GLN 18 2.591 9.437 -7.312 126 HA GLN 18 HA GLN 18 2.535 12.366 -7.404 127 1HB GLN 18 1HB GLN 18 2.205 10.648 -9.868 128 2HB GLN 18 2HB GLN 18 2.199 12.404 -9.797 129 1HG GLN 18 1HG GLN 18 4.493 12.517 -9.393 130 2HG GLN 18 2HG GLN 18 4.585 10.820 -8.925 131 1HE2 GLN 18 2HE2 GLN 18 5.578 9.620 -10.365 132 2HE2 GLN 18 1HE2 GLN 18 5.537 9.833 -12.079 133 H ASP 19 H ASP 19 0.533 13.227 -7.244 134 HA ASP 19 HA ASP 19 -1.625 11.956 -6.267 135 1HB ASP 19 1HB ASP 19 -1.898 14.137 -8.306 136 2HB ASP 19 2HB ASP 19 -3.016 13.758 -7.012 137 H GLY 20 H GLY 20 -2.256 10.026 -6.928 138 1HA GLY 20 1HA GLY 20 -4.017 9.097 -8.411 139 2HA GLY 20 2HA GLY 20 -3.088 9.764 -9.745 140 H GLN 21 H GLN 21 -0.788 8.743 -7.644 141 HA GLN 21 HA GLN 21 -0.593 6.160 -9.030 142 1HB GLN 21 1HB GLN 21 1.460 7.942 -7.742 143 2HB GLN 21 2HB GLN 21 1.812 6.272 -8.164 144 1HG GLN 21 1HG GLN 21 1.628 6.675 -10.442 145 2HG GLN 21 2HG GLN 21 0.719 8.162 -10.195 146 1HE2 GLN 21 2HE2 GLN 21 3.357 7.771 -8.109 147 2HE2 GLN 21 1HE2 GLN 21 4.449 8.832 -8.908 148 H SER 22 H SER 22 -0.397 4.264 -7.942 149 HA SER 22 HA SER 22 -1.142 4.331 -5.125 150 1HB SER 22 1HB SER 22 -2.043 2.234 -5.445 151 2HB SER 22 2HB SER 22 -2.102 2.807 -7.110 152 HG SER 22 HG SER 22 -0.707 1.332 -7.628 153 H LEU 23 H LEU 23 -0.097 2.488 -3.759 154 HA LEU 23 HA LEU 23 2.738 2.964 -3.743 155 1HB LEU 23 1HB LEU 23 2.447 2.526 -1.581 156 2HB LEU 23 2HB LEU 23 0.792 2.047 -1.886 157 HG LEU 23 HG LEU 23 2.172 -0.236 -2.571 158 1HD1 LEU 23 1HD1 LEU 23 3.814 1.318 -0.714 159 2HD1 LEU 23 2HD1 LEU 23 3.520 -0.357 -0.256 160 3HD1 LEU 23 3HD1 LEU 23 4.256 0.017 -1.815 161 1HD2 LEU 23 1HD2 LEU 23 0.129 -0.062 -1.233 162 2HD2 LEU 23 2HD2 LEU 23 1.319 -1.129 -0.491 163 3HD2 LEU 23 3HD2 LEU 23 1.085 0.501 0.138 164 H MET 24 H MET 24 0.908 1.046 -5.610 165 HA MET 24 HA MET 24 2.649 -1.284 -5.602 166 1HB MET 24 1HB MET 24 0.136 -1.459 -5.819 167 2HB MET 24 2HB MET 24 0.293 -0.722 -7.407 168 1HG MET 24 1HG MET 24 2.107 -2.799 -7.474 169 2HG MET 24 2HG MET 24 0.744 -3.458 -6.571 170 1HE MET 24 1HE MET 24 1.234 -5.068 -8.697 171 2HE MET 24 2HE MET 24 0.398 -4.851 -10.235 172 3HE MET 24 3HE MET 24 1.940 -4.044 -9.947 173 H GLU 25 H GLU 25 1.978 1.598 -7.391 174 HA GLU 25 HA GLU 25 3.633 0.762 -9.612 175 1HB GLU 25 1HB GLU 25 2.391 3.479 -9.214 176 2HB GLU 25 2HB GLU 25 2.942 2.763 -10.723 177 1HG GLU 25 1HG GLU 25 1.156 1.053 -10.492 178 2HG GLU 25 2HG GLU 25 0.563 1.929 -9.083 179 H VAL 26 H VAL 26 3.762 3.087 -6.938 180 HA VAL 26 HA VAL 26 6.126 4.316 -7.717 181 HB VAL 26 HB VAL 26 6.173 3.618 -4.873 182 1HG1 VAL 26 1HG1 VAL 26 7.512 5.296 -6.071 183 2HG1 VAL 26 2HG1 VAL 26 6.051 6.228 -6.339 184 3HG1 VAL 26 3HG1 VAL 26 6.630 5.955 -4.700 185 1HG2 VAL 26 1HG2 VAL 26 3.732 3.703 -5.267 186 2HG2 VAL 26 2HG2 VAL 26 4.394 4.913 -4.159 187 3HG2 VAL 26 3HG2 VAL 26 3.960 5.374 -5.811 188 H ALA 27 H ALA 27 5.638 1.600 -5.585 189 HA ALA 27 HA ALA 27 7.948 0.618 -4.919 190 1HB ALA 27 1HB ALA 27 5.450 -0.544 -5.380 191 2HB ALA 27 2HB ALA 27 6.619 -1.586 -6.198 192 3HB ALA 27 3HB ALA 27 6.796 -1.239 -4.475 193 H THR 28 H THR 28 6.633 -0.606 -7.946 194 HA THR 28 HA THR 28 8.920 -1.745 -8.917 195 HB THR 28 HB THR 28 7.756 -2.124 -10.809 196 HG1 THR 28 HG1 THR 28 6.414 -0.090 -11.587 197 1HG2 THR 28 1HG2 THR 28 5.980 -2.126 -8.958 198 2HG2 THR 28 2HG2 THR 28 5.429 -0.620 -9.692 199 3HG2 THR 28 3HG2 THR 28 5.446 -2.108 -10.638 200 H GLN 29 H GLN 29 7.962 1.621 -8.985 201 HA GLN 29 HA GLN 29 10.094 2.432 -10.726 202 1HB GLN 29 1HB GLN 29 8.054 3.846 -9.073 203 2HB GLN 29 2HB GLN 29 9.469 4.745 -9.595 204 1HG GLN 29 1HG GLN 29 8.900 4.615 -11.821 205 2HG GLN 29 2HG GLN 29 7.892 3.186 -11.584 206 1HE2 GLN 29 2HE2 GLN 29 6.265 4.288 -12.790 207 2HE2 GLN 29 1HE2 GLN 29 5.272 5.483 -12.035 208 H ASN 30 H ASN 30 9.616 2.093 -7.308 209 HA ASN 30 HA ASN 30 12.154 3.328 -6.669 210 1HB ASN 30 1HB ASN 30 10.823 1.877 -4.516 211 2HB ASN 30 2HB ASN 30 11.310 3.553 -4.574 212 1HD2 ASN 30 2HD2 ASN 30 8.817 2.173 -3.676 213 2HD2 ASN 30 1HD2 ASN 30 7.551 2.921 -4.508 214 H GLY 31 H GLY 31 11.464 0.504 -8.010 215 1HA GLY 31 1HA GLY 31 12.611 -1.489 -8.206 216 2HA GLY 31 2HA GLY 31 13.873 -0.778 -7.206 217 H VAL 32 H VAL 32 10.693 -0.751 -5.996 218 HA VAL 32 HA VAL 32 11.342 -2.239 -3.683 219 HB VAL 32 HB VAL 32 8.637 -1.501 -4.673 220 1HG1 VAL 32 1HG1 VAL 32 8.979 -3.027 -2.640 221 2HG1 VAL 32 2HG1 VAL 32 9.457 -1.524 -1.824 222 3HG1 VAL 32 3HG1 VAL 32 7.846 -1.666 -2.545 223 1HG2 VAL 32 1HG2 VAL 32 10.698 0.192 -3.352 224 2HG2 VAL 32 2HG2 VAL 32 9.738 0.522 -4.792 225 3HG2 VAL 32 3HG2 VAL 32 8.978 0.535 -3.197 226 HA PRO 33 HA PRO 33 10.174 -6.354 -4.902 227 1HB PRO 33 1HB PRO 33 9.832 -7.331 -2.382 228 2HB PRO 33 2HB PRO 33 11.432 -7.029 -3.065 229 1HG PRO 33 1HG PRO 33 9.800 -5.278 -1.246 230 2HG PRO 33 2HG PRO 33 11.512 -5.727 -1.116 231 1HD PRO 33 1HD PRO 33 10.771 -3.379 -2.138 232 2HD PRO 33 2HD PRO 33 12.143 -4.291 -2.803 233 H GLY 34 H GLY 34 8.358 -7.772 -3.221 234 1HA GLY 34 1HA GLY 34 6.098 -8.197 -3.218 235 2HA GLY 34 2HA GLY 34 6.057 -6.661 -2.374 236 H ILE 35 H ILE 35 7.118 -6.592 -5.676 237 HA ILE 35 HA ILE 35 5.224 -4.764 -6.513 238 HB ILE 35 HB ILE 35 6.847 -6.772 -8.063 239 1HG1 ILE 35 1HG1 ILE 35 7.013 -3.785 -8.258 240 2HG1 ILE 35 2HG1 ILE 35 7.740 -4.610 -6.883 241 1HG2 ILE 35 1HG2 ILE 35 4.542 -5.261 -8.987 242 2HG2 ILE 35 2HG2 ILE 35 6.001 -4.910 -9.913 243 3HG2 ILE 35 3HG2 ILE 35 5.426 -6.571 -9.772 244 1HD1 ILE 35 1HD1 ILE 35 8.619 -6.021 -9.112 245 2HD1 ILE 35 2HD1 ILE 35 8.706 -4.321 -9.575 246 3HD1 ILE 35 3HD1 ILE 35 9.546 -4.886 -8.129 247 H VAL 36 H VAL 36 5.222 -8.274 -7.131 248 HA VAL 36 HA VAL 36 3.521 -9.578 -8.044 249 HB VAL 36 HB VAL 36 1.886 -8.660 -5.725 250 1HG1 VAL 36 1HG1 VAL 36 2.651 -11.343 -6.868 251 2HG1 VAL 36 2HG1 VAL 36 1.673 -11.123 -5.417 252 3HG1 VAL 36 3HG1 VAL 36 1.083 -10.541 -6.974 253 1HG2 VAL 36 1HG2 VAL 36 4.697 -9.490 -5.578 254 2HG2 VAL 36 2HG2 VAL 36 3.701 -8.636 -4.400 255 3HG2 VAL 36 3HG2 VAL 36 3.605 -10.391 -4.526 256 H ALA 37 H ALA 37 2.836 -8.526 -9.930 257 HA ALA 37 HA ALA 37 0.487 -6.777 -9.639 258 1HB ALA 37 1HB ALA 37 2.488 -5.877 -10.851 259 2HB ALA 37 2HB ALA 37 2.200 -7.095 -12.095 260 3HB ALA 37 3HB ALA 37 0.986 -5.856 -11.775 261 H GLU 38 H GLU 38 -0.921 -8.600 -9.322 262 HA GLU 38 HA GLU 38 -1.186 -10.583 -11.387 263 1HB GLU 38 1HB GLU 38 -2.632 -9.947 -8.846 264 2HB GLU 38 2HB GLU 38 -3.396 -11.006 -10.022 265 1HG GLU 38 1HG GLU 38 -0.617 -11.509 -9.022 266 2HG GLU 38 2HG GLU 38 -2.040 -12.082 -8.154 267 H CYS 39 H CYS 39 -3.113 -7.814 -10.275 268 HA CYS 39 HA CYS 39 -4.713 -7.989 -12.729 269 1HB CYS 39 1HB CYS 39 -6.380 -6.682 -11.618 270 2HB CYS 39 2HB CYS 39 -5.873 -7.942 -10.500 271 H GLY 40 H GLY 40 -2.386 -6.057 -11.059 272 1HA GLY 40 1HA GLY 40 -1.530 -3.941 -11.485 273 2HA GLY 40 2HA GLY 40 -1.333 -4.661 -13.073 274 H GLY 41 H GLY 41 -3.585 -2.786 -11.073 275 1HA GLY 41 1HA GLY 41 -4.604 -0.782 -11.793 276 2HA GLY 41 2HA GLY 41 -4.291 -1.249 -13.456 277 H SER 42 H SER 42 -5.445 -4.009 -12.570 278 HA SER 42 HA SER 42 -8.113 -3.418 -13.468 279 1HB SER 42 1HB SER 42 -6.427 -5.748 -13.283 280 2HB SER 42 2HB SER 42 -8.008 -6.092 -12.581 281 HG SER 42 HG SER 42 -8.798 -5.027 -14.624 282 H CYS 43 H CYS 43 -6.537 -3.756 -10.450 283 HA CYS 43 HA CYS 43 -7.275 -3.947 -8.291 284 1HB CYS 43 1HB CYS 43 -9.271 -2.089 -9.576 285 2HB CYS 43 2HB CYS 43 -9.290 -2.427 -7.848 286 HG CYS 43 HG CYS 43 -7.578 -0.711 -7.594 287 H VAL 44 H VAL 44 -7.886 -6.242 -9.475 288 HA VAL 44 HA VAL 44 -10.514 -6.888 -8.347 289 HB VAL 44 HB VAL 44 -9.592 -7.980 -11.004 290 1HG1 VAL 44 1HG1 VAL 44 -11.452 -8.935 -9.181 291 2HG1 VAL 44 2HG1 VAL 44 -12.418 -8.105 -10.401 292 3HG1 VAL 44 3HG1 VAL 44 -11.310 -9.390 -10.880 293 1HG2 VAL 44 1HG2 VAL 44 -11.004 -5.504 -10.344 294 2HG2 VAL 44 2HG2 VAL 44 -10.179 -5.980 -11.828 295 3HG2 VAL 44 3HG2 VAL 44 -11.834 -6.512 -11.531 296 H CYS 45 H CYS 45 -8.001 -7.313 -7.157 297 HA CYS 45 HA CYS 45 -8.134 -10.173 -6.808 298 1HB CYS 45 1HB CYS 45 -6.078 -10.800 -7.601 299 2HB CYS 45 2HB CYS 45 -6.458 -9.518 -8.744 300 H ALA 46 H ALA 46 -6.368 -10.869 -5.155 301 HA ALA 46 HA ALA 46 -6.021 -8.737 -3.152 302 1HB ALA 46 1HB ALA 46 -7.139 -11.496 -2.757 303 2HB ALA 46 2HB ALA 46 -6.454 -10.564 -1.426 304 3HB ALA 46 3HB ALA 46 -7.848 -9.944 -2.310 305 H THR 47 H THR 47 -3.985 -9.331 -4.846 306 HA THR 47 HA THR 47 -2.196 -11.068 -3.280 307 HB THR 47 HB THR 47 -0.871 -11.348 -5.294 308 HG1 THR 47 HG1 THR 47 -1.028 -9.525 -6.432 309 1HG2 THR 47 1HG2 THR 47 -3.433 -12.358 -5.013 310 2HG2 THR 47 2HG2 THR 47 -3.364 -11.775 -6.675 311 3HG2 THR 47 3HG2 THR 47 -2.175 -12.943 -6.101 312 H CYS 48 H CYS 48 -2.961 -7.961 -3.442 313 HA CYS 48 HA CYS 48 -0.183 -7.000 -3.304 314 1HB CYS 48 1HB CYS 48 -1.278 -4.710 -3.556 315 2HB CYS 48 2HB CYS 48 -1.316 -5.760 -4.969 316 H ARG 49 H ARG 49 -0.847 -8.317 -1.105 317 HA ARG 49 HA ARG 49 -2.179 -6.760 0.872 318 1HB ARG 49 1HB ARG 49 -1.879 -9.276 0.877 319 2HB ARG 49 2HB ARG 49 -0.216 -8.995 1.373 320 1HG ARG 49 1HG ARG 49 -1.352 -9.421 3.360 321 2HG ARG 49 2HG ARG 49 -1.204 -7.663 3.314 322 1HD ARG 49 1HD ARG 49 -3.504 -7.585 2.327 323 2HD ARG 49 2HD ARG 49 -3.628 -9.317 2.631 324 HE ARG 49 HE ARG 49 -2.958 -7.688 4.931 325 1HH1 ARG 49 1HH1 ARG 49 -5.456 -9.239 3.071 326 2HH1 ARG 49 2HH1 ARG 49 -6.598 -9.256 4.373 327 1HH2 ARG 49 1HH2 ARG 49 -4.453 -7.696 6.653 328 2HH2 ARG 49 2HH2 ARG 49 -6.028 -8.376 6.411 329 H ILE 50 H ILE 50 -1.282 -4.747 1.080 330 HA ILE 50 HA ILE 50 1.461 -4.664 2.156 331 HB ILE 50 HB ILE 50 0.278 -2.340 0.675 332 1HG1 ILE 50 1HG1 ILE 50 0.161 -4.185 -0.896 333 2HG1 ILE 50 2HG1 ILE 50 1.497 -3.129 -1.344 334 1HG2 ILE 50 1HG2 ILE 50 2.903 -3.130 1.768 335 2HG2 ILE 50 2HG2 ILE 50 2.926 -2.284 0.221 336 3HG2 ILE 50 3HG2 ILE 50 2.166 -1.534 1.624 337 1HD1 ILE 50 1HD1 ILE 50 2.146 -5.399 0.426 338 2HD1 ILE 50 2HD1 ILE 50 1.703 -5.783 -1.237 339 3HD1 ILE 50 3HD1 ILE 50 3.056 -4.700 -0.914 340 H GLU 51 H GLU 51 1.805 -2.487 3.380 341 HA GLU 51 HA GLU 51 -0.640 -1.729 4.809 342 1HB GLU 51 1HB GLU 51 1.786 -3.022 5.952 343 2HB GLU 51 2HB GLU 51 0.962 -1.802 6.913 344 1HG GLU 51 1HG GLU 51 -0.631 -3.224 7.483 345 2HG GLU 51 2HG GLU 51 -0.925 -3.660 5.801 346 H ILE 52 H ILE 52 -0.831 0.392 4.857 347 HA ILE 52 HA ILE 52 1.250 2.215 4.163 348 HB ILE 52 HB ILE 52 -1.431 2.667 5.491 349 1HG1 ILE 52 1HG1 ILE 52 -1.293 1.662 3.122 350 2HG1 ILE 52 2HG1 ILE 52 -2.342 3.053 3.377 351 1HG2 ILE 52 1HG2 ILE 52 0.703 4.451 5.285 352 2HG2 ILE 52 2HG2 ILE 52 -0.438 4.938 4.035 353 3HG2 ILE 52 3HG2 ILE 52 -0.967 4.819 5.711 354 1HD1 ILE 52 1HD1 ILE 52 0.466 3.358 2.402 355 2HD1 ILE 52 2HD1 ILE 52 -0.882 3.039 1.306 356 3HD1 ILE 52 3HD1 ILE 52 -0.878 4.499 2.298 357 H GLU 53 H GLU 53 2.446 3.683 5.623 358 HA GLU 53 HA GLU 53 3.004 2.481 8.111 359 1HB GLU 53 1HB GLU 53 4.566 4.082 8.374 360 2HB GLU 53 2HB GLU 53 4.105 4.596 6.762 361 1HG GLU 53 1HG GLU 53 3.850 6.590 7.736 362 2HG GLU 53 2HG GLU 53 2.311 5.931 8.247 363 H ASP 54 H ASP 54 2.425 3.370 10.342 364 HA ASP 54 HA ASP 54 -0.420 3.611 10.458 365 1HB ASP 54 1HB ASP 54 1.560 3.815 12.727 366 2HB ASP 54 2HB ASP 54 -0.169 3.518 12.874 367 H ALA 55 H ALA 55 1.172 5.941 9.396 368 HA ALA 55 HA ALA 55 0.090 8.022 11.156 369 1HB ALA 55 1HB ALA 55 2.632 7.870 10.587 370 2HB ALA 55 2HB ALA 55 2.132 8.562 9.042 371 3HB ALA 55 3HB ALA 55 1.819 9.435 10.544 372 H TRP 56 H TRP 56 0.175 6.637 8.001 373 HA TRP 56 HA TRP 56 -1.386 8.839 6.901 374 1HB TRP 56 1HB TRP 56 0.082 6.615 5.535 375 2HB TRP 56 2HB TRP 56 -0.710 7.967 4.741 376 HD1 TRP 56 HD1 TRP 56 2.044 7.332 7.306 377 HE1 TRP 56 HE1 TRP 56 3.756 9.222 7.156 378 HE3 TRP 56 HE3 TRP 56 -0.277 10.192 3.765 379 HZ2 TRP 56 HZ2 TRP 56 4.112 11.586 5.728 380 HZ3 TRP 56 HZ3 TRP 56 0.884 12.248 3.034 381 HH2 TRP 56 HH2 TRP 56 3.003 12.916 3.990 382 H VAL 57 H VAL 57 -2.034 5.847 8.145 383 HA VAL 57 HA VAL 57 -3.777 4.802 6.227 384 HB VAL 57 HB VAL 57 -4.086 4.630 9.220 385 1HG1 VAL 57 1HG1 VAL 57 -5.872 3.933 7.468 386 2HG1 VAL 57 2HG1 VAL 57 -4.818 2.535 7.241 387 3HG1 VAL 57 3HG1 VAL 57 -5.505 2.871 8.834 388 1HG2 VAL 57 1HG2 VAL 57 -1.858 4.033 7.866 389 2HG2 VAL 57 2HG2 VAL 57 -2.381 3.165 9.310 390 3HG2 VAL 57 3HG2 VAL 57 -2.727 2.504 7.710 391 H GLU 58 H GLU 58 -4.126 7.100 8.826 392 HA GLU 58 HA GLU 58 -6.932 7.517 8.326 393 1HB GLU 58 1HB GLU 58 -4.950 8.439 10.306 394 2HB GLU 58 2HB GLU 58 -6.156 9.642 9.873 395 1HG GLU 58 1HG GLU 58 -7.938 8.152 10.514 396 2HG GLU 58 2HG GLU 58 -6.781 6.860 10.833 397 H ILE 59 H ILE 59 -4.108 8.357 6.847 398 HA ILE 59 HA ILE 59 -5.069 10.973 5.888 399 HB ILE 59 HB ILE 59 -2.427 9.576 5.686 400 1HG1 ILE 59 1HG1 ILE 59 -2.769 12.462 6.232 401 2HG1 ILE 59 2HG1 ILE 59 -3.313 11.343 7.476 402 1HG2 ILE 59 1HG2 ILE 59 -3.601 11.350 3.692 403 2HG2 ILE 59 2HG2 ILE 59 -2.037 11.899 4.293 404 3HG2 ILE 59 3HG2 ILE 59 -2.194 10.293 3.581 405 1HD1 ILE 59 1HD1 ILE 59 -0.745 10.551 6.577 406 2HD1 ILE 59 2HD1 ILE 59 -0.717 12.271 6.962 407 3HD1 ILE 59 3HD1 ILE 59 -1.246 11.108 8.174 408 H VAL 60 H VAL 60 -4.223 7.744 4.908 409 HA VAL 60 HA VAL 60 -4.991 8.239 2.152 410 HB VAL 60 HB VAL 60 -3.993 5.699 3.447 411 1HG1 VAL 60 1HG1 VAL 60 -5.194 6.057 0.986 412 2HG1 VAL 60 2HG1 VAL 60 -3.469 6.070 0.618 413 3HG1 VAL 60 3HG1 VAL 60 -4.181 4.697 1.467 414 1HG2 VAL 60 1HG2 VAL 60 -2.570 8.078 3.086 415 2HG2 VAL 60 2HG2 VAL 60 -1.898 6.465 3.350 416 3HG2 VAL 60 3HG2 VAL 60 -2.117 7.067 1.710 417 H GLY 61 H GLY 61 -5.653 5.364 4.133 418 1HA GLY 61 1HA GLY 61 -7.611 4.017 3.810 419 2HA GLY 61 2HA GLY 61 -8.068 5.248 4.975 420 H GLU 62 H GLU 62 -7.762 5.051 1.419 421 HA GLU 62 HA GLU 62 -10.096 6.739 1.114 422 1HB GLU 62 1HB GLU 62 -8.225 5.456 -0.862 423 2HB GLU 62 2HB GLU 62 -9.593 6.453 -1.337 424 1HG GLU 62 1HG GLU 62 -8.451 8.168 0.319 425 2HG GLU 62 2HG GLU 62 -7.016 7.228 -0.090 426 H ALA 63 H ALA 63 -9.433 3.437 1.233 427 HA ALA 63 HA ALA 63 -11.290 2.369 -0.553 428 1HB ALA 63 1HB ALA 63 -10.034 1.305 1.933 429 2HB ALA 63 2HB ALA 63 -11.342 0.408 1.149 430 3HB ALA 63 3HB ALA 63 -9.854 0.771 0.261 431 H ASN 64 H ASN 64 -13.280 1.383 -0.206 432 HA ASN 64 HA ASN 64 -15.046 2.841 1.553 433 1HB ASN 64 1HB ASN 64 -16.601 1.065 0.136 434 2HB ASN 64 2HB ASN 64 -16.263 2.714 -0.365 435 1HD2 ASN 64 2HD2 ASN 64 -16.642 -0.084 -1.653 436 2HD2 ASN 64 1HD2 ASN 64 -15.397 -0.118 -2.852 437 HA PRO 65 HA PRO 65 -15.779 -0.378 4.454 438 1HB PRO 65 1HB PRO 65 -18.477 -0.885 4.220 439 2HB PRO 65 2HB PRO 65 -17.793 0.490 5.092 440 1HG PRO 65 1HG PRO 65 -18.919 0.369 2.324 441 2HG PRO 65 2HG PRO 65 -19.106 1.631 3.556 442 1HD PRO 65 1HD PRO 65 -17.392 1.909 1.494 443 2HD PRO 65 2HD PRO 65 -17.023 2.553 3.100 444 H ASP 66 H ASP 66 -15.929 -1.029 1.196 445 HA ASP 66 HA ASP 66 -16.870 -3.768 1.456 446 1HB ASP 66 1HB ASP 66 -15.813 -2.337 -0.993 447 2HB ASP 66 2HB ASP 66 -16.663 -3.879 -0.961 448 H GLU 67 H GLU 67 -13.953 -2.103 0.244 449 HA GLU 67 HA GLU 67 -12.299 -4.264 -0.129 450 1HB GLU 67 1HB GLU 67 -11.410 -2.184 -0.745 451 2HB GLU 67 2HB GLU 67 -11.742 -1.469 0.827 452 1HG GLU 67 1HG GLU 67 -9.807 -3.722 0.636 453 2HG GLU 67 2HG GLU 67 -9.310 -2.108 0.131 454 H ASN 68 H ASN 68 -13.039 -2.582 2.882 455 HA ASN 68 HA ASN 68 -11.292 -4.126 4.514 456 1HB ASN 68 1HB ASN 68 -11.896 -2.026 5.398 457 2HB ASN 68 2HB ASN 68 -13.606 -2.284 5.072 458 1HD2 ASN 68 2HD2 ASN 68 -11.056 -4.064 6.788 459 2HD2 ASN 68 1HD2 ASN 68 -11.960 -4.288 8.242 460 H ASP 69 H ASP 69 -14.625 -4.424 3.484 461 HA ASP 69 HA ASP 69 -15.228 -6.577 5.298 462 1HB ASP 69 1HB ASP 69 -16.986 -5.034 4.547 463 2HB ASP 69 2HB ASP 69 -16.750 -5.568 2.885 464 H LEU 70 H LEU 70 -14.228 -6.255 1.944 465 HA LEU 70 HA LEU 70 -14.754 -8.872 1.090 466 1HB LEU 70 1HB LEU 70 -14.137 -6.911 -0.352 467 2HB LEU 70 2HB LEU 70 -12.477 -7.119 0.177 468 HG LEU 70 HG LEU 70 -13.811 -9.494 -0.997 469 1HD1 LEU 70 1HD1 LEU 70 -13.534 -6.944 -2.399 470 2HD1 LEU 70 2HD1 LEU 70 -12.770 -8.306 -3.219 471 3HD1 LEU 70 3HD1 LEU 70 -14.484 -8.373 -2.810 472 1HD2 LEU 70 1HD2 LEU 70 -11.267 -8.863 -0.191 473 2HD2 LEU 70 2HD2 LEU 70 -11.706 -10.196 -1.259 474 3HD2 LEU 70 3HD2 LEU 70 -11.182 -8.655 -1.940 475 H LEU 71 H LEU 71 -11.964 -7.477 2.740 476 HA LEU 71 HA LEU 71 -10.464 -9.940 2.627 477 1HB LEU 71 1HB LEU 71 -9.992 -7.178 3.463 478 2HB LEU 71 2HB LEU 71 -9.237 -8.357 4.518 479 HG LEU 71 HG LEU 71 -7.983 -9.293 2.685 480 1HD1 LEU 71 1HD1 LEU 71 -10.007 -8.023 1.098 481 2HD1 LEU 71 2HD1 LEU 71 -8.405 -7.519 0.560 482 3HD1 LEU 71 3HD1 LEU 71 -8.813 -9.233 0.631 483 1HD2 LEU 71 1HD2 LEU 71 -7.188 -7.203 3.840 484 2HD2 LEU 71 2HD2 LEU 71 -6.511 -7.491 2.236 485 3HD2 LEU 71 3HD2 LEU 71 -7.794 -6.299 2.452 486 H GLN 72 H GLN 72 -12.320 -8.146 5.036 487 HA GLN 72 HA GLN 72 -11.688 -9.640 7.296 488 1HB GLN 72 1HB GLN 72 -13.945 -7.903 6.475 489 2HB GLN 72 2HB GLN 72 -14.244 -8.987 7.825 490 1HG GLN 72 1HG GLN 72 -11.712 -7.610 8.087 491 2HG GLN 72 2HG GLN 72 -13.067 -6.491 7.934 492 1HE2 GLN 72 2HE2 GLN 72 -12.866 -9.689 9.429 493 2HE2 GLN 72 1HE2 GLN 72 -13.339 -9.176 11.010 494 H SER 73 H SER 73 -13.712 -10.421 4.594 495 HA SER 73 HA SER 73 -15.122 -12.556 5.900 496 1HB SER 73 1HB SER 73 -15.970 -11.237 3.903 497 2HB SER 73 2HB SER 73 -14.823 -12.148 2.922 498 HG SER 73 HG SER 73 -16.592 -13.526 4.609 499 H THR 74 H THR 74 -12.032 -12.193 4.555 500 HA THR 74 HA THR 74 -11.667 -14.898 3.675 501 HB THR 74 HB THR 74 -9.381 -14.302 3.303 502 HG1 THR 74 HG1 THR 74 -9.788 -11.895 4.723 503 1HG2 THR 74 1HG2 THR 74 -11.035 -13.200 1.797 504 2HG2 THR 74 2HG2 THR 74 -10.899 -11.761 2.807 505 3HG2 THR 74 3HG2 THR 74 -9.488 -12.367 1.941 506 H GLY 75 H GLY 75 -10.939 -13.067 6.604 507 1HA GLY 75 1HA GLY 75 -10.708 -13.894 8.764 508 2HA GLY 75 2HA GLY 75 -10.801 -15.525 8.118 509 H GLU 76 H GLU 76 -8.546 -13.159 6.885 510 HA GLU 76 HA GLU 76 -6.349 -14.849 7.827 511 1HB GLU 76 1HB GLU 76 -6.159 -12.558 5.875 512 2HB GLU 76 2HB GLU 76 -5.007 -13.862 6.122 513 1HG GLU 76 1HG GLU 76 -7.727 -14.664 5.315 514 2HG GLU 76 2HG GLU 76 -6.776 -13.795 4.112 515 HA PRO 77 HA PRO 77 -4.702 -12.211 10.926 516 1HB PRO 77 1HB PRO 77 -2.232 -12.020 9.261 517 2HB PRO 77 2HB PRO 77 -2.408 -12.446 10.967 518 1HG PRO 77 1HG PRO 77 -1.945 -14.324 9.135 519 2HG PRO 77 2HG PRO 77 -3.041 -14.626 10.496 520 1HD PRO 77 1HD PRO 77 -3.669 -14.105 7.632 521 2HD PRO 77 2HD PRO 77 -4.530 -15.111 8.814 522 H MET 78 H MET 78 -4.816 -10.069 11.339 523 HA MET 78 HA MET 78 -4.463 -8.213 9.079 524 1HB MET 78 1HB MET 78 -6.492 -7.993 11.310 525 2HB MET 78 2HB MET 78 -6.253 -6.821 10.020 526 1HG MET 78 1HG MET 78 -6.785 -8.716 8.413 527 2HG MET 78 2HG MET 78 -7.347 -9.605 9.827 528 1HE MET 78 1HE MET 78 -7.395 -6.085 8.390 529 2HE MET 78 2HE MET 78 -8.434 -6.802 7.158 530 3HE MET 78 3HE MET 78 -9.102 -5.645 8.308 531 H THR 79 H THR 79 -3.992 -5.967 9.749 532 HA THR 79 HA THR 79 -2.709 -5.711 12.361 533 HB THR 79 HB THR 79 -0.683 -4.725 11.330 534 HG1 THR 79 HG1 THR 79 -0.368 -5.079 9.091 535 1HG2 THR 79 1HG2 THR 79 -1.390 -7.557 10.721 536 2HG2 THR 79 2HG2 THR 79 0.144 -6.881 10.174 537 3HG2 THR 79 3HG2 THR 79 -0.242 -6.912 11.894 538 H ALA 80 H ALA 80 -1.600 -3.249 12.148 539 HA ALA 80 HA ALA 80 -3.957 -1.572 11.859 540 1HB ALA 80 1HB ALA 80 -1.257 -1.166 13.098 541 2HB ALA 80 2HB ALA 80 -2.355 0.185 12.822 542 3HB ALA 80 3HB ALA 80 -2.844 -1.149 13.866 543 H GLY 81 H GLY 81 -4.355 -0.351 10.146 544 1HA GLY 81 1HA GLY 81 -3.885 1.164 8.431 545 2HA GLY 81 2HA GLY 81 -2.173 0.821 8.625 546 H THR 82 H THR 82 -3.837 -2.057 8.498 547 HA THR 82 HA THR 82 -2.724 -2.807 6.022 548 HB THR 82 HB THR 82 -5.071 -4.342 6.928 549 HG1 THR 82 HG1 THR 82 -2.790 -4.118 8.596 550 1HG2 THR 82 1HG2 THR 82 -2.345 -4.857 5.952 551 2HG2 THR 82 2HG2 THR 82 -2.989 -6.019 7.115 552 3HG2 THR 82 3HG2 THR 82 -3.857 -5.699 5.613 553 H ARG 83 H ARG 83 -3.411 -2.563 4.003 554 HA ARG 83 HA ARG 83 -6.148 -2.530 3.242 555 1HB ARG 83 1HB ARG 83 -5.548 -0.172 4.292 556 2HB ARG 83 2HB ARG 83 -4.862 0.109 2.698 557 1HG ARG 83 1HG ARG 83 -7.206 -0.766 1.895 558 2HG ARG 83 2HG ARG 83 -7.697 -0.252 3.511 559 1HD ARG 83 1HD ARG 83 -7.610 1.904 2.950 560 2HD ARG 83 2HD ARG 83 -6.021 1.721 2.209 561 HE ARG 83 HE ARG 83 -8.408 2.034 0.835 562 1HH1 ARG 83 1HH1 ARG 83 -5.664 -0.096 0.801 563 2HH1 ARG 83 2HH1 ARG 83 -5.783 -0.426 -0.894 564 1HH2 ARG 83 1HH2 ARG 83 -8.588 1.599 -1.388 565 2HH2 ARG 83 2HH2 ARG 83 -7.454 0.529 -2.137 566 H LEU 84 H LEU 84 -6.420 -2.594 0.987 567 HA LEU 84 HA LEU 84 -4.553 -3.849 -0.528 568 1HB LEU 84 1HB LEU 84 -6.713 -1.930 -1.373 569 2HB LEU 84 2HB LEU 84 -5.735 -2.806 -2.536 570 HG LEU 84 HG LEU 84 -7.744 -3.891 -0.587 571 1HD1 LEU 84 1HD1 LEU 84 -7.352 -4.137 -3.563 572 2HD1 LEU 84 2HD1 LEU 84 -8.579 -4.999 -2.636 573 3HD1 LEU 84 3HD1 LEU 84 -8.618 -3.239 -2.726 574 1HD2 LEU 84 1HD2 LEU 84 -5.398 -5.271 -1.813 575 2HD2 LEU 84 2HD2 LEU 84 -6.095 -5.450 -0.202 576 3HD2 LEU 84 3HD2 LEU 84 -6.912 -6.150 -1.599 577 H SER 85 H SER 85 -3.049 -3.235 -2.144 578 HA SER 85 HA SER 85 -1.714 -0.721 -1.523 579 1HB SER 85 1HB SER 85 0.138 -1.935 -1.839 580 2HB SER 85 2HB SER 85 -0.852 -3.326 -2.280 581 HG SER 85 HG SER 85 0.391 -2.941 -4.034 582 H CYS 86 H CYS 86 -2.163 -2.450 -4.598 583 HA CYS 86 HA CYS 86 -1.918 -0.194 -6.218 584 1HB CYS 86 1HB CYS 86 -2.412 -1.585 -8.001 585 2HB CYS 86 2HB CYS 86 -1.859 -2.739 -6.791 586 H GLN 87 H GLN 87 -4.591 -1.232 -4.335 587 HA GLN 87 HA GLN 87 -6.613 0.012 -5.938 588 1HB GLN 87 1HB GLN 87 -7.124 -1.881 -4.462 589 2HB GLN 87 2HB GLN 87 -6.721 -0.899 -3.060 590 1HG GLN 87 1HG GLN 87 -9.062 -0.889 -3.193 591 2HG GLN 87 2HG GLN 87 -8.547 0.681 -3.809 592 1HE2 GLN 87 2HE2 GLN 87 -9.765 1.291 -5.440 593 2HE2 GLN 87 1HE2 GLN 87 -10.368 0.278 -6.703 594 H VAL 88 H VAL 88 -4.272 1.257 -3.826 595 HA VAL 88 HA VAL 88 -5.912 3.584 -3.151 596 HB VAL 88 HB VAL 88 -3.197 2.704 -2.175 597 1HG1 VAL 88 1HG1 VAL 88 -4.797 5.176 -1.602 598 2HG1 VAL 88 2HG1 VAL 88 -3.473 4.617 -0.577 599 3HG1 VAL 88 3HG1 VAL 88 -3.164 5.064 -2.256 600 1HG2 VAL 88 1HG2 VAL 88 -5.418 1.598 -1.420 601 2HG2 VAL 88 2HG2 VAL 88 -4.222 2.057 -0.209 602 3HG2 VAL 88 3HG2 VAL 88 -5.634 3.080 -0.487 603 H PHE 89 H PHE 89 -4.894 5.751 -3.421 604 HA PHE 89 HA PHE 89 -2.748 5.903 -5.344 605 1HB PHE 89 1HB PHE 89 -5.456 6.993 -6.077 606 2HB PHE 89 2HB PHE 89 -3.985 7.051 -7.056 607 HD1 PHE 89 HD1 PHE 89 -6.625 4.916 -5.722 608 HD2 PHE 89 HD2 PHE 89 -3.133 5.112 -8.144 609 HE1 PHE 89 HE1 PHE 89 -7.148 2.688 -6.629 610 HE2 PHE 89 HE2 PHE 89 -3.634 2.870 -9.058 611 HZ PHE 89 HZ PHE 89 -5.653 1.657 -8.307 612 H ILE 90 H ILE 90 -1.655 7.678 -5.382 613 HA ILE 90 HA ILE 90 -1.675 9.450 -3.249 614 HB ILE 90 HB ILE 90 -0.391 9.586 -5.970 615 1HG1 ILE 90 1HG1 ILE 90 0.054 7.809 -4.027 616 2HG1 ILE 90 2HG1 ILE 90 1.341 8.419 -5.062 617 1HG2 ILE 90 1HG2 ILE 90 -0.108 11.389 -3.605 618 2HG2 ILE 90 2HG2 ILE 90 1.239 11.098 -4.700 619 3HG2 ILE 90 3HG2 ILE 90 -0.248 11.805 -5.307 620 1HD1 ILE 90 1HD1 ILE 90 1.850 10.135 -3.342 621 2HD1 ILE 90 2HD1 ILE 90 0.631 9.376 -2.307 622 3HD1 ILE 90 3HD1 ILE 90 2.067 8.470 -2.778 623 H ASP 91 H ASP 91 -1.881 11.773 -3.288 624 HA ASP 91 HA ASP 91 -3.133 13.325 -5.207 625 1HB ASP 91 1HB ASP 91 -5.381 13.139 -4.776 626 2HB ASP 91 2HB ASP 91 -4.952 11.586 -4.078 627 HA PRO 92 HA PRO 92 -1.618 16.299 -2.270 628 1HB PRO 92 1HB PRO 92 -4.110 17.888 -2.358 629 2HB PRO 92 2HB PRO 92 -2.475 18.339 -2.853 630 1HG PRO 92 1HG PRO 92 -4.374 17.881 -4.676 631 2HG PRO 92 2HG PRO 92 -2.698 17.366 -4.952 632 1HD PRO 92 1HD PRO 92 -5.049 15.735 -4.042 633 2HD PRO 92 2HD PRO 92 -3.818 15.334 -5.257 634 H SER 93 H SER 93 -2.788 14.098 -1.132 635 HA SER 93 HA SER 93 -3.696 15.111 1.449 636 1HB SER 93 1HB SER 93 -5.682 13.998 1.400 637 2HB SER 93 2HB SER 93 -5.450 13.980 -0.357 638 HG SER 93 HG SER 93 -5.378 11.935 1.440 639 H MET 94 H MET 94 -2.439 12.519 -0.545 640 HA MET 94 HA MET 94 -1.233 11.183 1.764 641 1HB MET 94 1HB MET 94 -1.955 10.206 -1.004 642 2HB MET 94 2HB MET 94 -1.058 9.252 0.160 643 1HG MET 94 1HG MET 94 -2.995 8.496 0.903 644 2HG MET 94 2HG MET 94 -3.309 10.108 1.537 645 1HE MET 94 1HE MET 94 -3.720 7.597 -1.263 646 2HE MET 94 2HE MET 94 -5.162 7.440 -0.262 647 3HE MET 94 3HE MET 94 -5.302 7.999 -1.928 648 H ASP 95 H ASP 95 -0.057 13.501 0.796 649 HA ASP 95 HA ASP 95 2.007 12.765 -1.005 650 1HB ASP 95 1HB ASP 95 1.958 15.420 0.339 651 2HB ASP 95 2HB ASP 95 2.317 15.035 -1.329 652 H GLY 96 H GLY 96 3.907 12.051 -0.376 653 1HA GLY 96 1HA GLY 96 5.822 11.861 0.976 654 2HA GLY 96 2HA GLY 96 5.023 12.854 2.193 655 H LEU 97 H LEU 97 3.624 10.166 0.537 656 HA LEU 97 HA LEU 97 2.585 8.921 2.833 657 1HB LEU 97 1HB LEU 97 2.289 8.735 0.071 658 2HB LEU 97 2HB LEU 97 2.912 7.166 0.532 659 HG LEU 97 HG LEU 97 1.040 6.703 1.891 660 1HD1 LEU 97 1HD1 LEU 97 0.787 9.632 1.888 661 2HD1 LEU 97 2HD1 LEU 97 -0.733 8.727 1.868 662 3HD1 LEU 97 3HD1 LEU 97 0.436 8.450 3.156 663 1HD2 LEU 97 1HD2 LEU 97 0.306 8.064 -0.684 664 2HD2 LEU 97 2HD2 LEU 97 0.480 6.338 -0.366 665 3HD2 LEU 97 3HD2 LEU 97 -0.887 7.226 0.310 666 H ILE 98 H ILE 98 3.219 7.318 4.062 667 HA ILE 98 HA ILE 98 5.823 6.085 3.459 668 HB ILE 98 HB ILE 98 4.564 6.279 6.178 669 1HG1 ILE 98 1HG1 ILE 98 6.151 7.996 6.728 670 2HG1 ILE 98 2HG1 ILE 98 6.933 7.833 5.154 671 1HG2 ILE 98 1HG2 ILE 98 6.721 4.727 5.126 672 2HG2 ILE 98 2HG2 ILE 98 7.316 5.828 6.369 673 3HG2 ILE 98 3HG2 ILE 98 6.012 4.701 6.739 674 1HD1 ILE 98 1HD1 ILE 98 4.063 8.442 5.161 675 2HD1 ILE 98 2HD1 ILE 98 5.153 9.731 5.680 676 3HD1 ILE 98 3HD1 ILE 98 5.343 8.989 4.090 677 H VAL 99 H VAL 99 5.595 4.159 2.671 678 HA VAL 99 HA VAL 99 3.335 2.553 3.484 679 HB VAL 99 HB VAL 99 5.026 1.480 1.394 680 1HG1 VAL 99 1HG1 VAL 99 2.253 1.632 2.272 681 2HG1 VAL 99 2HG1 VAL 99 2.457 1.694 0.513 682 3HG1 VAL 99 3HG1 VAL 99 3.114 0.336 1.429 683 1HG2 VAL 99 1HG2 VAL 99 3.501 4.056 0.987 684 2HG2 VAL 99 2HG2 VAL 99 5.241 3.831 0.819 685 3HG2 VAL 99 3HG2 VAL 99 4.138 3.050 -0.310 686 H ARG 100 H ARG 100 3.897 0.073 3.328 687 HA ARG 100 HA ARG 100 6.466 -0.754 4.247 688 1HB ARG 100 1HB ARG 100 4.331 -1.159 6.316 689 2HB ARG 100 2HB ARG 100 6.074 -1.258 6.496 690 1HG ARG 100 1HG ARG 100 6.238 1.164 6.327 691 2HG ARG 100 2HG ARG 100 4.492 1.276 6.112 692 1HD ARG 100 1HD ARG 100 4.735 1.704 8.369 693 2HD ARG 100 2HD ARG 100 4.411 -0.029 8.360 694 HE ARG 100 HE ARG 100 7.163 0.268 8.231 695 1HH1 ARG 100 1HH1 ARG 100 4.587 1.052 10.438 696 2HH1 ARG 100 2HH1 ARG 100 5.588 0.948 11.847 697 1HH2 ARG 100 1HH2 ARG 100 8.490 0.125 10.079 698 2HH2 ARG 100 2HH2 ARG 100 7.809 0.421 11.644 699 H VAL 101 H VAL 101 6.706 -3.006 4.095 700 HA VAL 101 HA VAL 101 4.383 -4.390 2.965 701 HB VAL 101 HB VAL 101 7.300 -5.162 2.985 702 1HG1 VAL 101 1HG1 VAL 101 5.840 -7.128 3.071 703 2HG1 VAL 101 2HG1 VAL 101 4.974 -6.541 1.651 704 3HG1 VAL 101 3HG1 VAL 101 6.671 -7.000 1.521 705 1HG2 VAL 101 1HG2 VAL 101 6.107 -3.287 1.435 706 2HG2 VAL 101 2HG2 VAL 101 7.504 -4.241 0.942 707 3HG2 VAL 101 3HG2 VAL 101 5.884 -4.731 0.447 708 HA PRO 102 HA PRO 102 3.708 -6.671 6.710 709 1HB PRO 102 1HB PRO 102 2.587 -8.799 5.045 710 2HB PRO 102 2HB PRO 102 1.797 -7.787 6.253 711 1HG PRO 102 1HG PRO 102 1.325 -7.531 3.617 712 2HG PRO 102 2HG PRO 102 1.263 -6.160 4.736 713 1HD PRO 102 1HD PRO 102 3.402 -6.934 2.797 714 2HD PRO 102 2HD PRO 102 2.816 -5.320 3.249 715 H LEU 103 H LEU 103 3.534 -9.319 6.945 716 HA LEU 103 HA LEU 103 6.281 -10.113 7.062 717 1HB LEU 103 1HB LEU 103 3.769 -11.686 7.631 718 2HB LEU 103 2HB LEU 103 5.396 -12.215 8.012 719 HG LEU 103 HG LEU 103 4.911 -9.618 9.161 720 1HD1 LEU 103 1HD1 LEU 103 2.633 -11.326 9.141 721 2HD1 LEU 103 2HD1 LEU 103 3.265 -11.244 10.785 722 3HD1 LEU 103 3HD1 LEU 103 2.838 -9.762 9.931 723 1HD2 LEU 103 1HD2 LEU 103 6.622 -11.361 9.777 724 2HD2 LEU 103 2HD2 LEU 103 5.732 -10.657 11.127 725 3HD2 LEU 103 3HD2 LEU 103 5.312 -12.265 10.536 726 HA PRO 104 HA PRO 104 6.876 -12.492 3.416 727 1HB PRO 104 1HB PRO 104 7.588 -14.882 5.000 728 2HB PRO 104 2HB PRO 104 8.566 -13.961 3.852 729 1HG PRO 104 1HG PRO 104 9.028 -13.826 6.483 730 2HG PRO 104 2HG PRO 104 9.205 -12.404 5.438 731 1HD PRO 104 1HD PRO 104 6.960 -13.134 7.283 732 2HD PRO 104 2HD PRO 104 7.712 -11.551 6.997 733 H ALA 105 H ALA 105 6.475 -14.823 2.502 734 HA ALA 105 HA ALA 105 5.023 -16.515 1.972 735 1HB ALA 105 1HB ALA 105 4.848 -16.683 4.541 736 2HB ALA 105 2HB ALA 105 3.307 -15.852 4.336 737 3HB ALA 105 3HB ALA 105 3.577 -17.412 3.558 Start of MODEL 11 1 2H PRO 1 2H PRO 1 4.100 14.920 -5.192 2 1H PRO 1 1H PRO 1 4.827 13.455 -5.405 3 HA PRO 1 HA PRO 1 4.614 14.972 -3.181 4 1HB PRO 1 1HB PRO 1 3.668 12.228 -2.560 5 2HB PRO 1 2HB PRO 1 3.350 13.736 -1.733 6 1HG PRO 1 1HG PRO 1 1.479 12.777 -3.199 7 2HG PRO 1 2HG PRO 1 1.888 14.493 -3.390 8 1HD PRO 1 1HD PRO 1 2.850 12.160 -5.049 9 2HD PRO 1 2HD PRO 1 2.048 13.629 -5.608 10 H ARG 2 H ARG 2 5.403 13.281 -1.336 11 HA ARG 2 HA ARG 2 7.850 11.995 -2.413 12 1HB ARG 2 1HB ARG 2 8.550 13.858 -1.090 13 2HB ARG 2 2HB ARG 2 7.345 13.528 0.144 14 1HG ARG 2 1HG ARG 2 8.956 12.536 1.292 15 2HG ARG 2 2HG ARG 2 8.903 11.241 0.102 16 1HD ARG 2 1HD ARG 2 10.512 12.697 -1.264 17 2HD ARG 2 2HD ARG 2 10.756 13.592 0.237 18 HE ARG 2 HE ARG 2 11.097 10.734 0.465 19 1HH1 ARG 2 1HH1 ARG 2 12.643 13.787 -0.185 20 2HH1 ARG 2 2HH1 ARG 2 14.224 13.223 0.239 21 1HH2 ARG 2 1HH2 ARG 2 13.173 9.981 1.029 22 2HH2 ARG 2 2HH2 ARG 2 14.527 11.059 0.929 23 H VAL 3 H VAL 3 8.459 9.909 -1.168 24 HA VAL 3 HA VAL 3 6.373 8.971 0.570 25 HB VAL 3 HB VAL 3 6.407 8.319 -2.273 26 1HG1 VAL 3 1HG1 VAL 3 7.188 6.179 -0.943 27 2HG1 VAL 3 2HG1 VAL 3 5.467 6.092 -0.609 28 3HG1 VAL 3 3HG1 VAL 3 6.041 6.132 -2.282 29 1HG2 VAL 3 1HG2 VAL 3 4.567 8.619 -0.035 30 2HG2 VAL 3 2HG2 VAL 3 4.424 9.133 -1.728 31 3HG2 VAL 3 3HG2 VAL 3 4.107 7.453 -1.280 32 H VAL 4 H VAL 4 6.695 6.747 1.274 33 HA VAL 4 HA VAL 4 9.363 5.724 0.947 34 HB VAL 4 HB VAL 4 8.511 6.963 3.531 35 1HG1 VAL 4 1HG1 VAL 4 9.962 4.439 3.184 36 2HG1 VAL 4 2HG1 VAL 4 10.806 5.628 4.179 37 3HG1 VAL 4 3HG1 VAL 4 9.179 5.107 4.617 38 1HG2 VAL 4 1HG2 VAL 4 10.647 7.233 1.544 39 2HG2 VAL 4 2HG2 VAL 4 9.943 8.439 2.624 40 3HG2 VAL 4 3HG2 VAL 4 11.178 7.331 3.223 41 H PHE 5 H PHE 5 9.060 3.752 0.557 42 HA PHE 5 HA PHE 5 6.811 2.254 1.678 43 1HB PHE 5 1HB PHE 5 8.954 1.668 -0.346 44 2HB PHE 5 2HB PHE 5 7.837 0.443 0.214 45 HD1 PHE 5 HD1 PHE 5 6.695 3.961 -0.452 46 HD2 PHE 5 HD2 PHE 5 7.037 -0.025 -1.907 47 HE1 PHE 5 HE1 PHE 5 5.202 4.496 -2.312 48 HE2 PHE 5 HE2 PHE 5 5.562 0.486 -3.731 49 HZ PHE 5 HZ PHE 5 4.602 2.748 -3.955 50 H ILE 6 H ILE 6 7.577 -0.121 2.219 51 HA ILE 6 HA ILE 6 10.116 -0.314 3.552 52 HB ILE 6 HB ILE 6 7.572 -0.780 5.078 53 1HG1 ILE 6 1HG1 ILE 6 7.980 1.647 4.560 54 2HG1 ILE 6 2HG1 ILE 6 8.006 1.275 6.279 55 1HG2 ILE 6 1HG2 ILE 6 10.473 -0.998 5.645 56 2HG2 ILE 6 2HG2 ILE 6 9.335 -0.700 6.957 57 3HG2 ILE 6 3HG2 ILE 6 9.176 -2.147 5.959 58 1HD1 ILE 6 1HD1 ILE 6 10.493 1.368 4.653 59 2HD1 ILE 6 2HD1 ILE 6 9.775 2.832 5.315 60 3HD1 ILE 6 3HD1 ILE 6 10.305 1.542 6.396 61 H ASP 7 H ASP 7 10.536 -2.546 4.272 62 HA ASP 7 HA ASP 7 8.731 -4.644 3.721 63 1HB ASP 7 1HB ASP 7 9.556 -3.695 1.415 64 2HB ASP 7 2HB ASP 7 10.979 -4.676 1.756 65 H GLU 8 H GLU 8 10.353 -6.753 3.229 66 HA GLU 8 HA GLU 8 12.144 -6.727 5.546 67 1HB GLU 8 1HB GLU 8 10.381 -8.313 5.816 68 2HB GLU 8 2HB GLU 8 10.609 -8.939 4.189 69 1HG GLU 8 1HG GLU 8 12.221 -10.330 4.822 70 2HG GLU 8 2HG GLU 8 12.988 -9.118 5.846 71 H GLN 9 H GLN 9 12.326 -6.417 2.303 72 HA GLN 9 HA GLN 9 14.595 -8.189 1.883 73 1HB GLN 9 1HB GLN 9 12.792 -6.600 0.168 74 2HB GLN 9 2HB GLN 9 14.458 -6.698 -0.384 75 1HG GLN 9 1HG GLN 9 13.069 -8.436 -1.377 76 2HG GLN 9 2HG GLN 9 14.349 -9.118 -0.373 77 1HE2 GLN 9 2HE2 GLN 9 11.350 -7.662 0.738 78 2HE2 GLN 9 1HE2 GLN 9 10.693 -9.101 1.434 79 H SER 10 H SER 10 13.862 -4.765 2.168 80 HA SER 10 HA SER 10 16.730 -4.242 2.531 81 1HB SER 10 1HB SER 10 15.872 -3.477 0.266 82 2HB SER 10 2HB SER 10 14.858 -2.323 1.132 83 HG SER 10 HG SER 10 17.378 -2.176 2.038 84 H GLY 11 H GLY 11 13.865 -4.362 4.000 85 1HA GLY 11 1HA GLY 11 12.976 -3.431 5.895 86 2HA GLY 11 2HA GLY 11 14.613 -2.916 6.257 87 H GLU 12 H GLU 12 13.323 -1.791 3.323 88 HA GLU 12 HA GLU 12 11.789 0.375 3.937 89 1HB GLU 12 1HB GLU 12 13.401 1.284 5.409 90 2HB GLU 12 2HB GLU 12 14.711 0.998 4.271 91 1HG GLU 12 1HG GLU 12 13.888 2.711 2.806 92 2HG GLU 12 2HG GLU 12 12.447 2.921 3.800 93 H TYR 13 H TYR 13 11.327 1.648 2.227 94 HA TYR 13 HA TYR 13 12.932 1.396 -0.182 95 1HB TYR 13 1HB TYR 13 10.118 0.405 0.143 96 2HB TYR 13 2HB TYR 13 10.779 0.813 -1.441 97 HD1 TYR 13 HD1 TYR 13 11.442 -1.284 1.564 98 HD2 TYR 13 HD2 TYR 13 12.017 -0.763 -2.600 99 HE1 TYR 13 HE1 TYR 13 12.514 -3.501 1.447 100 HE2 TYR 13 HE2 TYR 13 13.074 -2.953 -2.761 101 HH TYR 13 HH TYR 13 13.654 -4.814 -1.661 102 H ALA 14 H ALA 14 13.075 3.645 0.925 103 HA ALA 14 HA ALA 14 11.089 5.562 0.867 104 1HB ALA 14 1HB ALA 14 13.898 5.517 1.199 105 2HB ALA 14 2HB ALA 14 13.508 6.804 0.056 106 3HB ALA 14 3HB ALA 14 12.757 6.784 1.651 107 H VAL 15 H VAL 15 10.347 7.063 -0.595 108 HA VAL 15 HA VAL 15 11.340 7.284 -3.243 109 HB VAL 15 HB VAL 15 10.242 5.020 -3.164 110 1HG1 VAL 15 1HG1 VAL 15 7.740 6.692 -3.022 111 2HG1 VAL 15 2HG1 VAL 15 7.786 5.009 -3.593 112 3HG1 VAL 15 3HG1 VAL 15 8.271 5.391 -1.945 113 1HG2 VAL 15 1HG2 VAL 15 10.212 7.049 -5.179 114 2HG2 VAL 15 2HG2 VAL 15 10.436 5.315 -5.352 115 3HG2 VAL 15 3HG2 VAL 15 8.806 5.993 -5.350 116 H ASP 16 H ASP 16 8.818 7.775 -4.402 117 HA ASP 16 HA ASP 16 7.491 9.853 -2.995 118 1HB ASP 16 1HB ASP 16 8.699 10.605 -5.589 119 2HB ASP 16 2HB ASP 16 8.150 11.644 -4.285 120 H ALA 17 H ALA 17 5.782 10.719 -4.378 121 HA ALA 17 HA ALA 17 5.121 9.007 -6.647 122 1HB ALA 17 1HB ALA 17 4.214 8.520 -4.142 123 2HB ALA 17 2HB ALA 17 2.908 9.515 -4.840 124 3HB ALA 17 3HB ALA 17 3.415 8.011 -5.646 125 H GLN 18 H GLN 18 2.746 9.801 -7.342 126 HA GLN 18 HA GLN 18 2.659 12.731 -7.314 127 1HB GLN 18 1HB GLN 18 2.208 11.288 -9.905 128 2HB GLN 18 2HB GLN 18 2.624 12.974 -9.633 129 1HG GLN 18 1HG GLN 18 4.879 12.338 -8.999 130 2HG GLN 18 2HG GLN 18 4.469 10.636 -9.211 131 1HE2 GLN 18 2HE2 GLN 18 4.984 13.685 -10.841 132 2HE2 GLN 18 1HE2 GLN 18 5.241 13.021 -12.415 133 H ASP 19 H ASP 19 0.647 13.439 -6.915 134 HA ASP 19 HA ASP 19 -1.474 11.963 -6.200 135 1HB ASP 19 1HB ASP 19 -1.895 14.431 -7.855 136 2HB ASP 19 2HB ASP 19 -2.894 13.830 -6.544 137 H GLY 20 H GLY 20 -2.394 10.315 -7.069 138 1HA GLY 20 1HA GLY 20 -4.040 9.685 -8.819 139 2HA GLY 20 2HA GLY 20 -2.886 10.334 -9.977 140 H GLN 21 H GLN 21 -0.980 8.976 -7.690 141 HA GLN 21 HA GLN 21 -1.023 6.355 -9.053 142 1HB GLN 21 1HB GLN 21 1.366 7.762 -7.854 143 2HB GLN 21 2HB GLN 21 1.386 6.223 -8.702 144 1HG GLN 21 1HG GLN 21 1.128 7.202 -10.764 145 2HG GLN 21 2HG GLN 21 0.366 8.641 -10.096 146 1HE2 GLN 21 2HE2 GLN 21 3.114 7.647 -8.386 147 2HE2 GLN 21 1HE2 GLN 21 4.223 8.789 -9.037 148 H SER 22 H SER 22 -0.464 4.518 -7.779 149 HA SER 22 HA SER 22 -1.198 4.906 -4.983 150 1HB SER 22 1HB SER 22 -1.707 2.520 -4.941 151 2HB SER 22 2HB SER 22 -2.521 3.282 -6.307 152 HG SER 22 HG SER 22 -1.404 2.076 -7.612 153 H LEU 23 H LEU 23 -0.224 2.813 -3.703 154 HA LEU 23 HA LEU 23 2.650 3.391 -3.646 155 1HB LEU 23 1HB LEU 23 0.840 1.919 -1.739 156 2HB LEU 23 2HB LEU 23 2.567 2.113 -1.503 157 HG LEU 23 HG LEU 23 2.375 4.259 -0.816 158 1HD1 LEU 23 1HD1 LEU 23 1.572 4.988 -3.072 159 2HD1 LEU 23 2HD1 LEU 23 -0.075 4.706 -2.509 160 3HD1 LEU 23 3HD1 LEU 23 0.930 5.924 -1.723 161 1HD2 LEU 23 1HD2 LEU 23 -0.439 3.257 -0.454 162 2HD2 LEU 23 2HD2 LEU 23 0.907 3.096 0.673 163 3HD2 LEU 23 3HD2 LEU 23 0.223 4.687 0.339 164 H MET 24 H MET 24 0.894 1.392 -5.388 165 HA MET 24 HA MET 24 2.574 -0.976 -5.003 166 1HB MET 24 1HB MET 24 0.631 -2.038 -5.390 167 2HB MET 24 2HB MET 24 -0.157 -0.546 -5.872 168 1HG MET 24 1HG MET 24 0.357 -0.857 -8.121 169 2HG MET 24 2HG MET 24 1.625 -2.029 -7.766 170 1HE MET 24 1HE MET 24 -0.427 -2.325 -9.985 171 2HE MET 24 2HE MET 24 -1.774 -3.429 -9.705 172 3HE MET 24 3HE MET 24 -1.893 -1.746 -9.193 173 H GLU 25 H GLU 25 1.924 1.687 -7.104 174 HA GLU 25 HA GLU 25 3.586 0.612 -9.231 175 1HB GLU 25 1HB GLU 25 1.638 1.788 -9.996 176 2HB GLU 25 2HB GLU 25 2.007 3.174 -8.978 177 1HG GLU 25 1HG GLU 25 4.226 2.699 -10.689 178 2HG GLU 25 2HG GLU 25 2.756 2.704 -11.661 179 H VAL 26 H VAL 26 3.721 3.171 -6.770 180 HA VAL 26 HA VAL 26 6.032 4.400 -7.655 181 HB VAL 26 HB VAL 26 6.194 3.815 -4.782 182 1HG1 VAL 26 1HG1 VAL 26 7.389 5.488 -6.282 183 2HG1 VAL 26 2HG1 VAL 26 5.920 6.441 -6.156 184 3HG1 VAL 26 3HG1 VAL 26 6.826 6.033 -4.708 185 1HG2 VAL 26 1HG2 VAL 26 3.732 3.878 -5.127 186 2HG2 VAL 26 2HG2 VAL 26 4.412 5.104 -4.058 187 3HG2 VAL 26 3HG2 VAL 26 3.944 5.534 -5.707 188 H ALA 27 H ALA 27 5.700 1.709 -5.449 189 HA ALA 27 HA ALA 27 8.034 0.776 -4.858 190 1HB ALA 27 1HB ALA 27 5.562 -0.465 -5.325 191 2HB ALA 27 2HB ALA 27 6.787 -1.477 -6.095 192 3HB ALA 27 3HB ALA 27 6.916 -1.083 -4.377 193 H THR 28 H THR 28 6.738 -0.623 -7.822 194 HA THR 28 HA THR 28 9.071 -1.638 -8.817 195 HB THR 28 HB THR 28 7.903 -2.138 -10.678 196 HG1 THR 28 HG1 THR 28 7.161 -0.661 -12.035 197 1HG2 THR 28 1HG2 THR 28 6.163 -2.345 -8.908 198 2HG2 THR 28 2HG2 THR 28 5.570 -0.757 -9.394 199 3HG2 THR 28 3HG2 THR 28 5.538 -2.097 -10.539 200 H GLN 29 H GLN 29 7.957 1.646 -8.828 201 HA GLN 29 HA GLN 29 9.988 2.566 -10.658 202 1HB GLN 29 1HB GLN 29 8.270 4.208 -8.800 203 2HB GLN 29 2HB GLN 29 9.172 4.796 -10.188 204 1HG GLN 29 1HG GLN 29 7.599 2.861 -11.303 205 2HG GLN 29 2HG GLN 29 6.550 3.528 -10.051 206 1HE2 GLN 29 2HE2 GLN 29 5.709 5.536 -10.299 207 2HE2 GLN 29 1HE2 GLN 29 5.932 6.510 -11.709 208 H ASN 30 H ASN 30 9.615 2.266 -7.218 209 HA ASN 30 HA ASN 30 12.004 3.806 -6.632 210 1HB ASN 30 1HB ASN 30 10.857 2.184 -4.474 211 2HB ASN 30 2HB ASN 30 11.203 3.895 -4.509 212 1HD2 ASN 30 2HD2 ASN 30 8.821 2.358 -3.597 213 2HD2 ASN 30 1HD2 ASN 30 7.503 3.033 -4.426 214 H GLY 31 H GLY 31 11.654 0.880 -7.911 215 1HA GLY 31 1HA GLY 31 13.271 -0.795 -8.164 216 2HA GLY 31 2HA GLY 31 14.172 -0.090 -6.826 217 H VAL 32 H VAL 32 11.230 -0.149 -5.647 218 HA VAL 32 HA VAL 32 11.532 -2.095 -3.749 219 HB VAL 32 HB VAL 32 8.851 -1.336 -4.858 220 1HG1 VAL 32 1HG1 VAL 32 9.842 -2.136 -2.187 221 2HG1 VAL 32 2HG1 VAL 32 8.482 -1.022 -2.300 222 3HG1 VAL 32 3HG1 VAL 32 8.370 -2.612 -3.045 223 1HG2 VAL 32 1HG2 VAL 32 10.775 0.410 -3.384 224 2HG2 VAL 32 2HG2 VAL 32 9.850 0.764 -4.845 225 3HG2 VAL 32 3HG2 VAL 32 9.032 0.663 -3.285 226 HA PRO 33 HA PRO 33 10.797 -6.009 -5.585 227 1HB PRO 33 1HB PRO 33 8.926 -6.675 -3.376 228 2HB PRO 33 2HB PRO 33 10.463 -7.433 -3.815 229 1HG PRO 33 1HG PRO 33 10.344 -5.885 -1.643 230 2HG PRO 33 2HG PRO 33 11.732 -5.757 -2.743 231 1HD PRO 33 1HD PRO 33 9.265 -4.078 -2.625 232 2HD PRO 33 2HD PRO 33 10.951 -3.556 -2.601 233 H GLY 34 H GLY 34 8.344 -3.778 -5.311 234 1HA GLY 34 1HA GLY 34 6.120 -3.723 -6.008 235 2HA GLY 34 2HA GLY 34 6.946 -4.145 -7.498 236 H ILE 35 H ILE 35 5.703 -5.680 -4.564 237 HA ILE 35 HA ILE 35 5.270 -8.087 -4.514 238 HB ILE 35 HB ILE 35 2.751 -6.750 -5.467 239 1HG1 ILE 35 1HG1 ILE 35 2.675 -6.451 -2.773 240 2HG1 ILE 35 2HG1 ILE 35 4.398 -6.238 -3.064 241 1HG2 ILE 35 1HG2 ILE 35 3.331 -9.305 -4.444 242 2HG2 ILE 35 2HG2 ILE 35 2.479 -8.431 -3.171 243 3HG2 ILE 35 3HG2 ILE 35 1.748 -8.600 -4.768 244 1HD1 ILE 35 1HD1 ILE 35 2.538 -4.736 -4.805 245 2HD1 ILE 35 2HD1 ILE 35 2.675 -4.225 -3.122 246 3HD1 ILE 35 3HD1 ILE 35 4.108 -4.272 -4.148 247 H VAL 36 H VAL 36 3.361 -6.835 -7.246 248 HA VAL 36 HA VAL 36 4.462 -8.048 -9.380 249 HB VAL 36 HB VAL 36 4.500 -10.214 -8.452 250 1HG1 VAL 36 1HG1 VAL 36 2.393 -9.370 -6.891 251 2HG1 VAL 36 2HG1 VAL 36 1.673 -10.617 -7.909 252 3HG1 VAL 36 3HG1 VAL 36 3.082 -10.993 -6.917 253 1HG2 VAL 36 1HG2 VAL 36 3.430 -9.850 -10.794 254 2HG2 VAL 36 2HG2 VAL 36 3.367 -11.445 -10.046 255 3HG2 VAL 36 3HG2 VAL 36 1.951 -10.395 -10.002 256 H ALA 37 H ALA 37 1.314 -7.991 -7.732 257 HA ALA 37 HA ALA 37 -0.764 -7.364 -8.428 258 1HB ALA 37 1HB ALA 37 0.481 -5.205 -8.574 259 2HB ALA 37 2HB ALA 37 0.721 -5.519 -10.293 260 3HB ALA 37 3HB ALA 37 -0.910 -5.313 -9.653 261 H GLU 38 H GLU 38 -1.463 -9.261 -9.391 262 HA GLU 38 HA GLU 38 -0.858 -9.759 -12.184 263 1HB GLU 38 1HB GLU 38 -0.881 -11.687 -10.768 264 2HB GLU 38 2HB GLU 38 -2.470 -11.278 -10.136 265 1HG GLU 38 1HG GLU 38 -2.971 -11.462 -12.805 266 2HG GLU 38 2HG GLU 38 -1.720 -12.684 -12.585 267 H CYS 39 H CYS 39 -3.600 -8.765 -10.205 268 HA CYS 39 HA CYS 39 -5.564 -8.947 -12.210 269 1HB CYS 39 1HB CYS 39 -6.970 -7.662 -10.761 270 2HB CYS 39 2HB CYS 39 -6.000 -8.728 -9.753 271 H GLY 40 H GLY 40 -2.936 -6.859 -11.932 272 1HA GLY 40 1HA GLY 40 -2.232 -5.135 -13.279 273 2HA GLY 40 2HA GLY 40 -3.616 -5.462 -14.306 274 H GLY 41 H GLY 41 -4.832 -4.954 -11.294 275 1HA GLY 41 1HA GLY 41 -5.203 -2.863 -10.128 276 2HA GLY 41 2HA GLY 41 -5.003 -2.036 -11.666 277 H SER 42 H SER 42 -6.917 -4.938 -11.077 278 HA SER 42 HA SER 42 -9.362 -3.365 -11.537 279 1HB SER 42 1HB SER 42 -10.027 -5.742 -12.661 280 2HB SER 42 2HB SER 42 -9.385 -4.377 -13.575 281 HG SER 42 HG SER 42 -8.038 -5.962 -14.125 282 H CYS 43 H CYS 43 -7.911 -4.717 -9.184 283 HA CYS 43 HA CYS 43 -8.456 -5.851 -7.286 284 1HB CYS 43 1HB CYS 43 -10.330 -4.089 -7.485 285 2HB CYS 43 2HB CYS 43 -11.351 -5.429 -7.996 286 HG CYS 43 HG CYS 43 -11.083 -6.483 -5.654 287 H VAL 44 H VAL 44 -7.677 -7.693 -8.768 288 HA VAL 44 HA VAL 44 -9.778 -9.757 -8.820 289 HB VAL 44 HB VAL 44 -7.501 -9.598 -10.794 290 1HG1 VAL 44 1HG1 VAL 44 -9.598 -11.549 -10.191 291 2HG1 VAL 44 2HG1 VAL 44 -9.469 -11.130 -11.899 292 3HG1 VAL 44 3HG1 VAL 44 -8.064 -11.754 -11.035 293 1HG2 VAL 44 1HG2 VAL 44 -9.798 -7.992 -10.726 294 2HG2 VAL 44 2HG2 VAL 44 -8.663 -8.191 -12.062 295 3HG2 VAL 44 3HG2 VAL 44 -10.097 -9.214 -11.963 296 H CYS 45 H CYS 45 -6.989 -8.783 -7.394 297 HA CYS 45 HA CYS 45 -6.310 -11.536 -6.646 298 1HB CYS 45 1HB CYS 45 -4.048 -11.304 -7.038 299 2HB CYS 45 2HB CYS 45 -4.710 -10.361 -8.367 300 H ALA 46 H ALA 46 -4.589 -11.343 -4.731 301 HA ALA 46 HA ALA 46 -5.283 -9.147 -2.938 302 1HB ALA 46 1HB ALA 46 -6.862 -11.202 -2.687 303 2HB ALA 46 2HB ALA 46 -5.488 -11.919 -1.844 304 3HB ALA 46 3HB ALA 46 -6.203 -10.421 -1.250 305 H THR 47 H THR 47 -2.884 -10.342 -4.389 306 HA THR 47 HA THR 47 -1.162 -11.128 -2.184 307 HB THR 47 HB THR 47 -0.540 -10.737 -5.117 308 HG1 THR 47 HG1 THR 47 -1.997 -12.468 -4.620 309 1HG2 THR 47 1HG2 THR 47 1.109 -11.731 -2.840 310 2HG2 THR 47 2HG2 THR 47 1.358 -12.360 -4.468 311 3HG2 THR 47 3HG2 THR 47 1.547 -10.635 -4.150 312 H CYS 48 H CYS 48 -1.886 -8.328 -4.091 313 HA CYS 48 HA CYS 48 0.465 -6.842 -3.635 314 1HB CYS 48 1HB CYS 48 -0.835 -4.909 -4.316 315 2HB CYS 48 2HB CYS 48 -1.237 -6.278 -5.348 316 H ARG 49 H ARG 49 -1.911 -7.855 -1.493 317 HA ARG 49 HA ARG 49 -2.636 -6.045 0.264 318 1HB ARG 49 1HB ARG 49 -1.928 -8.777 0.462 319 2HB ARG 49 2HB ARG 49 -1.223 -7.966 1.853 320 1HG ARG 49 1HG ARG 49 -3.496 -6.966 2.277 321 2HG ARG 49 2HG ARG 49 -4.115 -8.068 1.047 322 1HD ARG 49 1HD ARG 49 -4.433 -9.045 3.230 323 2HD ARG 49 2HD ARG 49 -3.219 -9.968 2.347 324 HE ARG 49 HE ARG 49 -1.768 -8.170 3.787 325 1HH1 ARG 49 1HH1 ARG 49 -4.179 -10.560 4.570 326 2HH1 ARG 49 2HH1 ARG 49 -3.551 -10.864 6.155 327 1HH2 ARG 49 1HH2 ARG 49 -0.929 -8.568 5.872 328 2HH2 ARG 49 2HH2 ARG 49 -1.704 -9.732 6.895 329 H ILE 50 H ILE 50 -1.409 -4.146 0.178 330 HA ILE 50 HA ILE 50 1.298 -4.233 1.286 331 HB ILE 50 HB ILE 50 0.572 -2.874 -0.824 332 1HG1 ILE 50 1HG1 ILE 50 2.182 -1.356 1.216 333 2HG1 ILE 50 2HG1 ILE 50 2.780 -2.852 0.507 334 1HG2 ILE 50 1HG2 ILE 50 -0.297 -1.048 1.409 335 2HG2 ILE 50 2HG2 ILE 50 0.005 -0.515 -0.244 336 3HG2 ILE 50 3HG2 ILE 50 -1.281 -1.675 0.086 337 1HD1 ILE 50 1HD1 ILE 50 2.236 -1.639 -1.745 338 2HD1 ILE 50 2HD1 ILE 50 2.364 -0.191 -0.746 339 3HD1 ILE 50 3HD1 ILE 50 3.729 -1.300 -0.870 340 H GLU 51 H GLU 51 1.808 -2.281 2.779 341 HA GLU 51 HA GLU 51 -0.428 -1.800 4.617 342 1HB GLU 51 1HB GLU 51 2.166 -3.132 5.198 343 2HB GLU 51 2HB GLU 51 1.515 -2.049 6.421 344 1HG GLU 51 1HG GLU 51 -0.551 -3.347 6.474 345 2HG GLU 51 2HG GLU 51 0.100 -4.431 5.244 346 H ILE 52 H ILE 52 -0.690 0.313 4.796 347 HA ILE 52 HA ILE 52 1.298 2.244 4.112 348 HB ILE 52 HB ILE 52 -1.258 2.588 5.697 349 1HG1 ILE 52 1HG1 ILE 52 -1.424 1.667 3.318 350 2HG1 ILE 52 2HG1 ILE 52 -2.361 3.111 3.688 351 1HG2 ILE 52 1HG2 ILE 52 0.568 4.383 5.839 352 2HG2 ILE 52 2HG2 ILE 52 0.148 4.743 4.164 353 3HG2 ILE 52 3HG2 ILE 52 -1.070 4.891 5.431 354 1HD1 ILE 52 1HD1 ILE 52 0.358 3.280 2.463 355 2HD1 ILE 52 2HD1 ILE 52 -1.097 3.050 1.492 356 3HD1 ILE 52 3HD1 ILE 52 -0.926 4.492 2.494 357 H GLU 53 H GLU 53 2.665 3.488 5.515 358 HA GLU 53 HA GLU 53 3.332 2.190 7.916 359 1HB GLU 53 1HB GLU 53 4.996 3.687 8.082 360 2HB GLU 53 2HB GLU 53 4.422 4.294 6.542 361 1HG GLU 53 1HG GLU 53 4.187 6.275 7.510 362 2HG GLU 53 2HG GLU 53 2.892 5.598 8.460 363 H ASP 54 H ASP 54 2.855 2.847 10.198 364 HA ASP 54 HA ASP 54 0.065 3.239 10.511 365 1HB ASP 54 1HB ASP 54 2.317 3.074 12.500 366 2HB ASP 54 2HB ASP 54 0.639 3.278 12.992 367 H ALA 55 H ALA 55 1.642 5.607 9.460 368 HA ALA 55 HA ALA 55 0.655 7.602 11.364 369 1HB ALA 55 1HB ALA 55 3.183 7.459 10.687 370 2HB ALA 55 2HB ALA 55 2.626 8.276 9.224 371 3HB ALA 55 3HB ALA 55 2.380 9.025 10.804 372 H TRP 56 H TRP 56 0.667 6.395 8.134 373 HA TRP 56 HA TRP 56 -0.921 8.641 7.194 374 1HB TRP 56 1HB TRP 56 0.454 6.464 5.661 375 2HB TRP 56 2HB TRP 56 -0.322 7.887 4.977 376 HD1 TRP 56 HD1 TRP 56 2.448 7.069 7.496 377 HE1 TRP 56 HE1 TRP 56 4.226 8.909 7.378 378 HE3 TRP 56 HE3 TRP 56 0.211 10.041 3.997 379 HZ2 TRP 56 HZ2 TRP 56 4.646 11.290 5.947 380 HZ3 TRP 56 HZ3 TRP 56 1.424 12.069 3.272 381 HH2 TRP 56 HH2 TRP 56 3.564 12.679 4.221 382 H VAL 57 H VAL 57 -1.660 5.729 8.463 383 HA VAL 57 HA VAL 57 -3.506 4.777 6.545 384 HB VAL 57 HB VAL 57 -3.602 4.436 9.531 385 1HG1 VAL 57 1HG1 VAL 57 -5.577 3.954 7.929 386 2HG1 VAL 57 2HG1 VAL 57 -4.631 2.527 7.505 387 3HG1 VAL 57 3HG1 VAL 57 -5.144 2.779 9.174 388 1HG2 VAL 57 1HG2 VAL 57 -1.498 3.863 8.115 389 2HG2 VAL 57 2HG2 VAL 57 -2.081 2.744 9.350 390 3HG2 VAL 57 3HG2 VAL 57 -2.455 2.455 7.648 391 H GLU 58 H GLU 58 -3.540 7.032 9.167 392 HA GLU 58 HA GLU 58 -6.363 7.576 8.874 393 1HB GLU 58 1HB GLU 58 -4.615 9.447 10.392 394 2HB GLU 58 2HB GLU 58 -6.203 8.814 10.805 395 1HG GLU 58 1HG GLU 58 -4.478 6.613 10.848 396 2HG GLU 58 2HG GLU 58 -3.606 7.924 11.640 397 H ILE 59 H ILE 59 -3.642 8.257 7.185 398 HA ILE 59 HA ILE 59 -4.520 10.940 6.323 399 HB ILE 59 HB ILE 59 -1.941 9.448 5.993 400 1HG1 ILE 59 1HG1 ILE 59 -2.108 12.324 6.627 401 2HG1 ILE 59 2HG1 ILE 59 -2.687 11.213 7.863 402 1HG2 ILE 59 1HG2 ILE 59 -3.115 11.379 4.130 403 2HG2 ILE 59 2HG2 ILE 59 -1.473 11.759 4.647 404 3HG2 ILE 59 3HG2 ILE 59 -1.820 10.207 3.885 405 1HD1 ILE 59 1HD1 ILE 59 -0.187 10.315 6.833 406 2HD1 ILE 59 2HD1 ILE 59 -0.065 12.001 7.334 407 3HD1 ILE 59 3HD1 ILE 59 -0.621 10.781 8.476 408 H VAL 60 H VAL 60 -3.796 7.694 5.266 409 HA VAL 60 HA VAL 60 -4.623 8.285 2.544 410 HB VAL 60 HB VAL 60 -3.651 5.649 3.636 411 1HG1 VAL 60 1HG1 VAL 60 -4.740 6.330 1.181 412 2HG1 VAL 60 2HG1 VAL 60 -3.000 6.317 0.897 413 3HG1 VAL 60 3HG1 VAL 60 -3.798 4.886 1.550 414 1HG2 VAL 60 1HG2 VAL 60 -2.196 8.100 3.400 415 2HG2 VAL 60 2HG2 VAL 60 -1.599 6.497 3.841 416 3HG2 VAL 60 3HG2 VAL 60 -1.631 6.989 2.150 417 H GLY 61 H GLY 61 -5.264 5.370 4.480 418 1HA GLY 61 1HA GLY 61 -7.182 4.005 4.232 419 2HA GLY 61 2HA GLY 61 -7.759 5.327 5.233 420 H GLU 62 H GLU 62 -6.974 5.323 1.779 421 HA GLU 62 HA GLU 62 -9.413 6.668 1.152 422 1HB GLU 62 1HB GLU 62 -7.076 5.669 -0.423 423 2HB GLU 62 2HB GLU 62 -8.536 6.177 -1.260 424 1HG GLU 62 1HG GLU 62 -8.127 8.270 0.424 425 2HG GLU 62 2HG GLU 62 -6.473 7.768 0.070 426 H ALA 63 H ALA 63 -8.410 3.398 1.258 427 HA ALA 63 HA ALA 63 -9.967 2.153 -0.633 428 1HB ALA 63 1HB ALA 63 -9.043 1.311 2.066 429 2HB ALA 63 2HB ALA 63 -10.245 0.321 1.230 430 3HB ALA 63 3HB ALA 63 -8.675 0.631 0.479 431 H ASN 64 H ASN 64 -11.992 1.079 -0.508 432 HA ASN 64 HA ASN 64 -14.012 2.632 0.837 433 1HB ASN 64 1HB ASN 64 -15.544 1.386 -0.660 434 2HB ASN 64 2HB ASN 64 -14.240 2.128 -1.569 435 1HD2 ASN 64 2HD2 ASN 64 -15.290 0.358 -3.001 436 2HD2 ASN 64 1HD2 ASN 64 -14.459 -1.157 -2.997 437 HA PRO 65 HA PRO 65 -15.022 -0.509 3.768 438 1HB PRO 65 1HB PRO 65 -17.815 -0.730 3.015 439 2HB PRO 65 2HB PRO 65 -17.108 0.110 4.396 440 1HG PRO 65 1HG PRO 65 -18.294 1.394 2.293 441 2HG PRO 65 2HG PRO 65 -17.025 2.118 3.296 442 1HD PRO 65 1HD PRO 65 -16.806 0.856 0.587 443 2HD PRO 65 2HD PRO 65 -15.988 2.299 1.219 444 H ASP 66 H ASP 66 -14.739 -1.324 0.682 445 HA ASP 66 HA ASP 66 -16.060 -3.915 0.781 446 1HB ASP 66 1HB ASP 66 -14.460 -2.549 -1.392 447 2HB ASP 66 2HB ASP 66 -15.190 -4.143 -1.551 448 H GLU 67 H GLU 67 -12.792 -2.810 -0.110 449 HA GLU 67 HA GLU 67 -11.454 -5.184 0.026 450 1HB GLU 67 1HB GLU 67 -9.447 -3.804 0.766 451 2HB GLU 67 2HB GLU 67 -10.247 -3.293 -0.713 452 1HG GLU 67 1HG GLU 67 -9.807 -1.325 0.464 453 2HG GLU 67 2HG GLU 67 -11.524 -1.637 0.715 454 H ASN 68 H ASN 68 -12.489 -3.154 2.694 455 HA ASN 68 HA ASN 68 -11.102 -4.692 4.693 456 1HB ASN 68 1HB ASN 68 -11.467 -2.417 5.251 457 2HB ASN 68 2HB ASN 68 -13.171 -2.501 4.815 458 1HD2 ASN 68 2HD2 ASN 68 -11.502 -4.954 6.650 459 2HD2 ASN 68 1HD2 ASN 68 -12.325 -4.676 8.143 460 H ASP 69 H ASP 69 -14.258 -4.701 3.212 461 HA ASP 69 HA ASP 69 -15.377 -6.526 5.164 462 1HB ASP 69 1HB ASP 69 -16.910 -4.939 4.242 463 2HB ASP 69 2HB ASP 69 -16.445 -5.352 2.594 464 H LEU 70 H LEU 70 -13.699 -6.678 2.164 465 HA LEU 70 HA LEU 70 -14.593 -9.315 1.446 466 1HB LEU 70 1HB LEU 70 -13.473 -7.294 0.045 467 2HB LEU 70 2HB LEU 70 -12.057 -8.286 0.334 468 HG LEU 70 HG LEU 70 -14.431 -9.722 -0.678 469 1HD1 LEU 70 1HD1 LEU 70 -13.981 -7.339 -1.876 470 2HD1 LEU 70 2HD1 LEU 70 -12.908 -8.388 -2.803 471 3HD1 LEU 70 3HD1 LEU 70 -14.628 -8.761 -2.695 472 1HD2 LEU 70 1HD2 LEU 70 -11.463 -9.750 -1.126 473 2HD2 LEU 70 2HD2 LEU 70 -12.493 -11.010 -0.443 474 3HD2 LEU 70 3HD2 LEU 70 -12.568 -10.648 -2.167 475 H LEU 71 H LEU 71 -11.746 -7.912 2.996 476 HA LEU 71 HA LEU 71 -10.416 -10.457 3.242 477 1HB LEU 71 1HB LEU 71 -9.840 -7.670 4.174 478 2HB LEU 71 2HB LEU 71 -8.932 -9.019 4.826 479 HG LEU 71 HG LEU 71 -7.841 -7.812 2.910 480 1HD1 LEU 71 1HD1 LEU 71 -7.773 -10.432 3.602 481 2HD1 LEU 71 2HD1 LEU 71 -8.208 -10.541 1.896 482 3HD1 LEU 71 3HD1 LEU 71 -6.738 -9.695 2.379 483 1HD2 LEU 71 1HD2 LEU 71 -10.121 -7.648 1.698 484 2HD2 LEU 71 2HD2 LEU 71 -8.665 -7.936 0.747 485 3HD2 LEU 71 3HD2 LEU 71 -9.748 -9.274 1.127 486 H GLN 72 H GLN 72 -12.720 -8.668 5.029 487 HA GLN 72 HA GLN 72 -12.145 -9.856 7.587 488 1HB GLN 72 1HB GLN 72 -14.194 -7.993 6.493 489 2HB GLN 72 2HB GLN 72 -14.602 -8.884 7.953 490 1HG GLN 72 1HG GLN 72 -12.007 -7.429 7.802 491 2HG GLN 72 2HG GLN 72 -13.495 -6.533 8.100 492 1HE2 GLN 72 2HE2 GLN 72 -11.244 -8.856 9.347 493 2HE2 GLN 72 1HE2 GLN 72 -11.836 -8.867 10.970 494 H SER 73 H SER 73 -14.101 -10.607 4.826 495 HA SER 73 HA SER 73 -15.715 -12.552 6.241 496 1HB SER 73 1HB SER 73 -16.736 -11.280 4.423 497 2HB SER 73 2HB SER 73 -15.530 -11.895 3.291 498 HG SER 73 HG SER 73 -17.251 -13.591 4.763 499 H THR 74 H THR 74 -12.782 -12.466 4.418 500 HA THR 74 HA THR 74 -12.675 -15.147 3.565 501 HB THR 74 HB THR 74 -10.201 -14.758 3.452 502 HG1 THR 74 HG1 THR 74 -9.626 -12.492 3.867 503 1HG2 THR 74 1HG2 THR 74 -12.179 -13.543 1.914 504 2HG2 THR 74 2HG2 THR 74 -11.002 -12.275 2.254 505 3HG2 THR 74 3HG2 THR 74 -10.483 -13.778 1.492 506 H GLY 75 H GLY 75 -11.236 -13.579 6.432 507 1HA GLY 75 1HA GLY 75 -11.643 -14.932 8.532 508 2HA GLY 75 2HA GLY 75 -10.956 -16.268 7.621 509 H GLU 76 H GLU 76 -9.414 -13.414 6.784 510 HA GLU 76 HA GLU 76 -7.173 -14.075 8.565 511 1HB GLU 76 1HB GLU 76 -7.353 -12.930 5.811 512 2HB GLU 76 2HB GLU 76 -5.965 -12.518 6.810 513 1HG GLU 76 1HG GLU 76 -6.451 -15.346 6.896 514 2HG GLU 76 2HG GLU 76 -6.318 -14.791 5.228 515 HA PRO 77 HA PRO 77 -7.872 -10.240 10.670 516 1HB PRO 77 1HB PRO 77 -5.624 -10.186 12.150 517 2HB PRO 77 2HB PRO 77 -6.930 -11.333 12.472 518 1HG PRO 77 1HG PRO 77 -4.353 -11.760 11.009 519 2HG PRO 77 2HG PRO 77 -5.149 -12.806 12.199 520 1HD PRO 77 1HD PRO 77 -5.305 -13.211 9.506 521 2HD PRO 77 2HD PRO 77 -6.579 -13.699 10.641 522 H MET 78 H MET 78 -6.855 -8.128 10.991 523 HA MET 78 HA MET 78 -4.542 -7.441 9.418 524 1HB MET 78 1HB MET 78 -6.906 -5.827 8.648 525 2HB MET 78 2HB MET 78 -5.499 -6.288 7.700 526 1HG MET 78 1HG MET 78 -6.412 -8.553 7.470 527 2HG MET 78 2HG MET 78 -7.838 -8.056 8.379 528 1HE MET 78 1HE MET 78 -8.582 -5.552 7.781 529 2HE MET 78 2HE MET 78 -7.814 -4.776 6.396 530 3HE MET 78 3HE MET 78 -9.454 -5.406 6.255 531 H THR 79 H THR 79 -4.394 -4.878 9.402 532 HA THR 79 HA THR 79 -5.454 -3.779 11.895 533 HB THR 79 HB THR 79 -3.296 -3.026 12.662 534 HG1 THR 79 HG1 THR 79 -2.086 -4.393 10.508 535 1HG2 THR 79 1HG2 THR 79 -3.183 -5.936 11.913 536 2HG2 THR 79 2HG2 THR 79 -2.083 -5.137 13.037 537 3HG2 THR 79 3HG2 THR 79 -3.802 -5.245 13.414 538 H ALA 80 H ALA 80 -5.492 -1.504 11.987 539 HA ALA 80 HA ALA 80 -6.292 -0.095 9.849 540 1HB ALA 80 1HB ALA 80 -4.910 0.696 12.347 541 2HB ALA 80 2HB ALA 80 -5.050 1.914 11.079 542 3HB ALA 80 3HB ALA 80 -6.499 1.154 11.737 543 H GLY 81 H GLY 81 -5.389 -0.086 7.876 544 1HA GLY 81 1HA GLY 81 -3.726 1.222 6.584 545 2HA GLY 81 2HA GLY 81 -2.526 0.616 7.712 546 H THR 82 H THR 82 -3.724 -2.079 7.745 547 HA THR 82 HA THR 82 -2.267 -3.169 5.547 548 HB THR 82 HB THR 82 -4.138 -4.880 7.087 549 HG1 THR 82 HG1 THR 82 -1.977 -3.472 8.254 550 1HG2 THR 82 1HG2 THR 82 -1.554 -5.125 5.800 551 2HG2 THR 82 2HG2 THR 82 -1.583 -5.813 7.423 552 3HG2 THR 82 3HG2 THR 82 -2.741 -6.362 6.213 553 H ARG 83 H ARG 83 -3.156 -2.733 3.579 554 HA ARG 83 HA ARG 83 -5.377 -4.280 2.738 555 1HB ARG 83 1HB ARG 83 -7.021 -2.648 2.314 556 2HB ARG 83 2HB ARG 83 -6.472 -2.316 3.952 557 1HG ARG 83 1HG ARG 83 -5.234 -0.434 3.263 558 2HG ARG 83 2HG ARG 83 -5.364 -0.879 1.559 559 1HD ARG 83 1HD ARG 83 -7.804 -0.515 1.690 560 2HD ARG 83 2HD ARG 83 -7.612 0.015 3.361 561 HE ARG 83 HE ARG 83 -7.161 1.564 1.033 562 1HH1 ARG 83 1HH1 ARG 83 -5.946 0.998 4.246 563 2HH1 ARG 83 2HH1 ARG 83 -5.284 2.589 4.416 564 1HH2 ARG 83 1HH2 ARG 83 -6.294 3.662 1.247 565 2HH2 ARG 83 2HH2 ARG 83 -5.481 4.103 2.711 566 H LEU 84 H LEU 84 -5.713 -4.194 0.455 567 HA LEU 84 HA LEU 84 -3.405 -3.822 -1.065 568 1HB LEU 84 1HB LEU 84 -5.264 -3.692 -2.984 569 2HB LEU 84 2HB LEU 84 -4.803 -5.192 -2.203 570 HG LEU 84 HG LEU 84 -7.039 -3.656 -0.987 571 1HD1 LEU 84 1HD1 LEU 84 -7.023 -4.527 -3.748 572 2HD1 LEU 84 2HD1 LEU 84 -8.281 -5.331 -2.807 573 3HD1 LEU 84 3HD1 LEU 84 -8.217 -3.570 -2.870 574 1HD2 LEU 84 1HD2 LEU 84 -5.925 -6.317 -0.917 575 2HD2 LEU 84 2HD2 LEU 84 -7.077 -5.550 0.177 576 3HD2 LEU 84 3HD2 LEU 84 -7.650 -6.358 -1.282 577 H SER 85 H SER 85 -2.401 -1.978 -1.521 578 HA SER 85 HA SER 85 -3.879 0.520 -1.508 579 1HB SER 85 1HB SER 85 -1.732 0.354 -0.302 580 2HB SER 85 2HB SER 85 -0.911 0.044 -1.832 581 HG SER 85 HG SER 85 -2.112 2.406 -0.897 582 H CYS 86 H CYS 86 -3.025 -1.740 -3.845 583 HA CYS 86 HA CYS 86 -2.172 -0.185 -5.984 584 1HB CYS 86 1HB CYS 86 -2.906 -1.940 -7.441 585 2HB CYS 86 2HB CYS 86 -2.292 -2.681 -5.969 586 H GLN 87 H GLN 87 -5.172 -0.158 -4.388 587 HA GLN 87 HA GLN 87 -6.476 1.175 -6.652 588 1HB GLN 87 1HB GLN 87 -7.685 -0.713 -5.596 589 2HB GLN 87 2HB GLN 87 -7.701 0.173 -4.078 590 1HG GLN 87 1HG GLN 87 -9.420 1.452 -4.704 591 2HG GLN 87 2HG GLN 87 -8.775 1.689 -6.328 592 1HE2 GLN 87 2HE2 GLN 87 -11.380 1.436 -6.212 593 2HE2 GLN 87 1HE2 GLN 87 -11.910 -0.122 -6.739 594 H VAL 88 H VAL 88 -4.599 2.036 -4.115 595 HA VAL 88 HA VAL 88 -6.158 4.437 -3.482 596 HB VAL 88 HB VAL 88 -3.877 3.056 -2.086 597 1HG1 VAL 88 1HG1 VAL 88 -3.445 5.475 -2.152 598 2HG1 VAL 88 2HG1 VAL 88 -5.013 5.753 -1.391 599 3HG1 VAL 88 3HG1 VAL 88 -3.752 4.878 -0.521 600 1HG2 VAL 88 1HG2 VAL 88 -6.179 2.269 -1.678 601 2HG2 VAL 88 2HG2 VAL 88 -5.414 2.927 -0.231 602 3HG2 VAL 88 3HG2 VAL 88 -6.607 3.883 -1.110 603 H PHE 89 H PHE 89 -5.623 6.236 -4.579 604 HA PHE 89 HA PHE 89 -2.901 6.414 -5.661 605 1HB PHE 89 1HB PHE 89 -5.364 7.858 -6.626 606 2HB PHE 89 2HB PHE 89 -3.780 7.845 -7.400 607 HD1 PHE 89 HD1 PHE 89 -3.610 4.788 -6.411 608 HD2 PHE 89 HD2 PHE 89 -6.194 7.074 -8.897 609 HE1 PHE 89 HE1 PHE 89 -4.233 2.732 -7.634 610 HE2 PHE 89 HE2 PHE 89 -6.826 5.035 -10.137 611 HZ PHE 89 HZ PHE 89 -5.841 2.858 -9.507 612 H ILE 90 H ILE 90 -1.680 8.141 -5.459 613 HA ILE 90 HA ILE 90 -1.656 9.665 -3.197 614 HB ILE 90 HB ILE 90 -0.443 10.115 -5.915 615 1HG1 ILE 90 1HG1 ILE 90 0.032 8.143 -4.146 616 2HG1 ILE 90 2HG1 ILE 90 1.267 8.800 -5.217 617 1HG2 ILE 90 1HG2 ILE 90 -0.018 11.620 -3.361 618 2HG2 ILE 90 2HG2 ILE 90 1.237 11.480 -4.593 619 3HG2 ILE 90 3HG2 ILE 90 -0.299 12.256 -4.978 620 1HD1 ILE 90 1HD1 ILE 90 1.942 10.355 -3.408 621 2HD1 ILE 90 2HD1 ILE 90 0.773 9.548 -2.353 622 3HD1 ILE 90 3HD1 ILE 90 2.141 8.642 -2.995 623 H ASP 91 H ASP 91 -1.783 11.991 -2.952 624 HA ASP 91 HA ASP 91 -3.104 13.744 -4.664 625 1HB ASP 91 1HB ASP 91 -5.318 13.574 -4.071 626 2HB ASP 91 2HB ASP 91 -4.873 11.955 -3.558 627 HA PRO 92 HA PRO 92 -1.309 16.451 -1.633 628 1HB PRO 92 1HB PRO 92 -3.755 18.092 -1.410 629 2HB PRO 92 2HB PRO 92 -2.154 18.542 -2.005 630 1HG PRO 92 1HG PRO 92 -4.212 18.255 -3.691 631 2HG PRO 92 2HG PRO 92 -2.575 17.742 -4.144 632 1HD PRO 92 1HD PRO 92 -4.876 16.077 -3.174 633 2HD PRO 92 2HD PRO 92 -3.744 15.754 -4.509 634 H SER 93 H SER 93 -2.479 14.181 -0.576 635 HA SER 93 HA SER 93 -3.170 15.043 2.124 636 1HB SER 93 1HB SER 93 -5.164 13.951 2.154 637 2HB SER 93 2HB SER 93 -5.061 14.043 0.386 638 HG SER 93 HG SER 93 -4.776 11.888 2.078 639 H MET 94 H MET 94 -2.062 12.570 -0.102 640 HA MET 94 HA MET 94 -0.738 11.096 2.055 641 1HB MET 94 1HB MET 94 -1.601 10.298 -0.731 642 2HB MET 94 2HB MET 94 -0.612 9.279 0.301 643 1HG MET 94 1HG MET 94 -2.419 8.489 1.289 644 2HG MET 94 2HG MET 94 -2.906 10.113 1.763 645 1HE MET 94 1HE MET 94 -2.639 7.569 -0.864 646 2HE MET 94 2HE MET 94 -4.262 7.439 -1.540 647 3HE MET 94 3HE MET 94 -3.101 8.561 -2.248 648 H ASP 95 H ASP 95 0.378 13.484 1.176 649 HA ASP 95 HA ASP 95 2.395 12.832 -0.727 650 1HB ASP 95 1HB ASP 95 2.347 15.461 0.666 651 2HB ASP 95 2HB ASP 95 2.662 15.111 -1.017 652 H GLY 96 H GLY 96 4.401 12.264 -0.203 653 1HA GLY 96 1HA GLY 96 6.289 11.943 1.124 654 2HA GLY 96 2HA GLY 96 5.570 13.022 2.322 655 H LEU 97 H LEU 97 3.751 10.441 0.959 656 HA LEU 97 HA LEU 97 3.163 9.372 3.504 657 1HB LEU 97 1HB LEU 97 1.468 8.296 2.498 658 2HB LEU 97 2HB LEU 97 1.807 9.459 1.232 659 HG LEU 97 HG LEU 97 3.462 7.294 0.641 660 1HD1 LEU 97 1HD1 LEU 97 2.245 5.924 2.244 661 2HD1 LEU 97 2HD1 LEU 97 0.724 6.338 1.455 662 3HD1 LEU 97 3HD1 LEU 97 1.936 5.394 0.592 663 1HD2 LEU 97 1HD2 LEU 97 2.026 8.870 -0.797 664 2HD2 LEU 97 2HD2 LEU 97 2.237 7.205 -1.341 665 3HD2 LEU 97 3HD2 LEU 97 0.739 7.689 -0.547 666 H ILE 98 H ILE 98 3.360 7.206 4.174 667 HA ILE 98 HA ILE 98 5.829 5.981 3.199 668 HB ILE 98 HB ILE 98 4.805 5.957 6.004 669 1HG1 ILE 98 1HG1 ILE 98 6.806 7.317 6.494 670 2HG1 ILE 98 2HG1 ILE 98 7.173 7.355 4.768 671 1HG2 ILE 98 1HG2 ILE 98 5.954 3.880 5.432 672 2HG2 ILE 98 2HG2 ILE 98 7.353 4.810 4.895 673 3HG2 ILE 98 3HG2 ILE 98 6.877 4.834 6.592 674 1HD1 ILE 98 1HD1 ILE 98 4.470 8.152 5.314 675 2HD1 ILE 98 2HD1 ILE 98 5.637 9.170 6.160 676 3HD1 ILE 98 3HD1 ILE 98 5.725 8.988 4.408 677 H VAL 99 H VAL 99 5.840 3.878 2.683 678 HA VAL 99 HA VAL 99 3.409 2.386 3.288 679 HB VAL 99 HB VAL 99 4.854 1.520 0.930 680 1HG1 VAL 99 1HG1 VAL 99 2.168 1.667 2.070 681 2HG1 VAL 99 2HG1 VAL 99 2.248 1.804 0.307 682 3HG1 VAL 99 3HG1 VAL 99 2.938 0.392 1.114 683 1HG2 VAL 99 1HG2 VAL 99 5.013 3.992 0.726 684 2HG2 VAL 99 2HG2 VAL 99 4.005 3.255 -0.519 685 3HG2 VAL 99 3HG2 VAL 99 3.256 4.077 0.848 686 H ARG 100 H ARG 100 3.603 0.052 3.393 687 HA ARG 100 HA ARG 100 6.310 -0.958 3.782 688 1HB ARG 100 1HB ARG 100 4.303 -1.680 5.870 689 2HB ARG 100 2HB ARG 100 6.057 -1.650 5.970 690 1HG ARG 100 1HG ARG 100 6.062 0.748 6.123 691 2HG ARG 100 2HG ARG 100 4.318 0.804 5.851 692 1HD ARG 100 1HD ARG 100 3.895 0.434 8.007 693 2HD ARG 100 2HD ARG 100 4.968 -0.963 8.035 694 HE ARG 100 HE ARG 100 6.520 1.376 8.082 695 1HH1 ARG 100 1HH1 ARG 100 4.294 -0.392 10.092 696 2HH1 ARG 100 2HH1 ARG 100 5.019 0.128 11.577 697 1HH2 ARG 100 1HH2 ARG 100 7.484 2.068 10.034 698 2HH2 ARG 100 2HH2 ARG 100 6.833 1.526 11.545 699 H VAL 101 H VAL 101 6.381 -3.323 4.004 700 HA VAL 101 HA VAL 101 4.164 -4.584 2.526 701 HB VAL 101 HB VAL 101 7.053 -5.471 2.549 702 1HG1 VAL 101 1HG1 VAL 101 5.257 -7.184 2.124 703 2HG1 VAL 101 2HG1 VAL 101 4.848 -6.276 0.667 704 3HG1 VAL 101 3HG1 VAL 101 6.449 -6.996 0.839 705 1HG2 VAL 101 1HG2 VAL 101 5.944 -3.267 1.218 706 2HG2 VAL 101 2HG2 VAL 101 7.520 -4.010 0.943 707 3HG2 VAL 101 3HG2 VAL 101 6.124 -4.531 0.001 708 HA PRO 102 HA PRO 102 3.519 -7.150 6.073 709 1HB PRO 102 1HB PRO 102 2.311 -9.261 4.838 710 2HB PRO 102 2HB PRO 102 1.491 -7.733 5.181 711 1HG PRO 102 1HG PRO 102 2.744 -8.683 2.633 712 2HG PRO 102 2HG PRO 102 1.195 -7.853 2.877 713 1HD PRO 102 1HD PRO 102 3.387 -6.543 2.025 714 2HD PRO 102 2HD PRO 102 2.200 -5.776 3.101 715 H LEU 103 H LEU 103 3.663 -9.670 6.490 716 HA LEU 103 HA LEU 103 6.439 -10.346 6.036 717 1HB LEU 103 1HB LEU 103 4.289 -11.736 7.631 718 2HB LEU 103 2HB LEU 103 5.972 -12.223 7.587 719 HG LEU 103 HG LEU 103 5.035 -9.529 8.572 720 1HD1 LEU 103 1HD1 LEU 103 4.322 -11.688 9.856 721 2HD1 LEU 103 2HD1 LEU 103 6.010 -11.703 10.366 722 3HD1 LEU 103 3HD1 LEU 103 4.989 -10.312 10.734 723 1HD2 LEU 103 1HD2 LEU 103 7.674 -10.961 8.540 724 2HD2 LEU 103 2HD2 LEU 103 7.283 -9.358 7.918 725 3HD2 LEU 103 3HD2 LEU 103 7.337 -9.640 9.658 726 HA PRO 104 HA PRO 104 5.641 -12.967 2.539 727 1HB PRO 104 1HB PRO 104 8.173 -14.279 3.300 728 2HB PRO 104 2HB PRO 104 7.742 -13.457 1.799 729 1HG PRO 104 1HG PRO 104 9.443 -12.360 3.553 730 2HG PRO 104 2HG PRO 104 8.303 -11.374 2.618 731 1HD PRO 104 1HD PRO 104 8.150 -12.257 5.473 732 2HD PRO 104 2HD PRO 104 7.716 -10.694 4.748 733 H ALA 105 H ALA 105 6.030 -15.440 2.099 734 HA ALA 105 HA ALA 105 5.432 -17.053 4.463 735 1HB ALA 105 1HB ALA 105 3.570 -16.556 2.192 736 2HB ALA 105 2HB ALA 105 3.589 -18.151 2.945 737 3HB ALA 105 3HB ALA 105 3.231 -16.722 3.915 Start of MODEL 12 1 2H PRO 1 2H PRO 1 3.847 14.926 -5.288 2 1H PRO 1 1H PRO 1 4.581 13.481 -5.586 3 HA PRO 1 HA PRO 1 4.531 14.937 -3.328 4 1HB PRO 1 1HB PRO 1 3.588 12.213 -2.647 5 2HB PRO 1 2HB PRO 1 3.314 13.730 -1.823 6 1HG PRO 1 1HG PRO 1 1.372 12.742 -3.188 7 2HG PRO 1 2HG PRO 1 1.754 14.462 -3.401 8 1HD PRO 1 1HD PRO 1 2.659 12.140 -5.101 9 2HD PRO 1 2HD PRO 1 1.802 13.591 -5.621 10 H ARG 2 H ARG 2 5.361 13.150 -1.561 11 HA ARG 2 HA ARG 2 7.696 11.821 -2.830 12 1HB ARG 2 1HB ARG 2 8.676 13.530 -1.549 13 2HB ARG 2 2HB ARG 2 7.461 13.404 -0.282 14 1HG ARG 2 1HG ARG 2 8.401 11.266 0.416 15 2HG ARG 2 2HG ARG 2 9.613 11.381 -0.859 16 1HD ARG 2 1HD ARG 2 9.275 13.348 1.400 17 2HD ARG 2 2HD ARG 2 10.469 12.054 1.357 18 HE ARG 2 HE ARG 2 11.697 13.253 -0.201 19 1HH1 ARG 2 1HH1 ARG 2 8.653 14.826 0.435 20 2HH1 ARG 2 2HH1 ARG 2 9.122 16.317 -0.312 21 1HH2 ARG 2 1HH2 ARG 2 12.323 15.213 -1.180 22 2HH2 ARG 2 2HH2 ARG 2 11.209 16.537 -1.229 23 H VAL 3 H VAL 3 8.433 9.811 -1.455 24 HA VAL 3 HA VAL 3 6.384 8.854 0.314 25 HB VAL 3 HB VAL 3 6.365 8.194 -2.536 26 1HG1 VAL 3 1HG1 VAL 3 7.102 6.046 -1.198 27 2HG1 VAL 3 2HG1 VAL 3 5.386 6.018 -0.820 28 3HG1 VAL 3 3HG1 VAL 3 5.913 6.018 -2.503 29 1HG2 VAL 3 1HG2 VAL 3 4.504 8.346 -0.249 30 2HG2 VAL 3 2HG2 VAL 3 4.480 9.201 -1.805 31 3HG2 VAL 3 3HG2 VAL 3 4.053 7.493 -1.737 32 H VAL 4 H VAL 4 6.742 6.630 1.012 33 HA VAL 4 HA VAL 4 9.387 5.603 0.546 34 HB VAL 4 HB VAL 4 8.678 6.772 3.206 35 1HG1 VAL 4 1HG1 VAL 4 10.278 4.352 2.634 36 2HG1 VAL 4 2HG1 VAL 4 10.987 5.519 3.753 37 3HG1 VAL 4 3HG1 VAL 4 9.408 4.812 4.098 38 1HG2 VAL 4 1HG2 VAL 4 10.685 7.146 1.097 39 2HG2 VAL 4 2HG2 VAL 4 9.990 8.317 2.218 40 3HG2 VAL 4 3HG2 VAL 4 11.290 7.251 2.752 41 H PHE 5 H PHE 5 9.065 3.668 0.129 42 HA PHE 5 HA PHE 5 6.919 2.098 1.357 43 1HB PHE 5 1HB PHE 5 8.857 1.655 -0.894 44 2HB PHE 5 2HB PHE 5 7.836 0.371 -0.285 45 HD1 PHE 5 HD1 PHE 5 6.616 3.902 -0.706 46 HD2 PHE 5 HD2 PHE 5 6.771 -0.050 -2.274 47 HE1 PHE 5 HE1 PHE 5 4.960 4.493 -2.393 48 HE2 PHE 5 HE2 PHE 5 5.109 0.517 -3.927 49 HZ PHE 5 HZ PHE 5 4.164 2.793 -4.000 50 H ILE 6 H ILE 6 7.641 -0.225 1.879 51 HA ILE 6 HA ILE 6 10.341 -0.542 2.826 52 HB ILE 6 HB ILE 6 8.094 -1.115 4.716 53 1HG1 ILE 6 1HG1 ILE 6 8.245 1.356 4.027 54 2HG1 ILE 6 2HG1 ILE 6 8.314 1.004 5.745 55 1HG2 ILE 6 1HG2 ILE 6 10.972 -1.313 4.646 56 2HG2 ILE 6 2HG2 ILE 6 10.369 -0.520 6.101 57 3HG2 ILE 6 3HG2 ILE 6 9.804 -2.135 5.673 58 1HD1 ILE 6 1HD1 ILE 6 10.939 0.972 4.734 59 2HD1 ILE 6 2HD1 ILE 6 10.133 2.410 4.116 60 3HD1 ILE 6 3HD1 ILE 6 10.206 2.120 5.853 61 H ASP 7 H ASP 7 10.735 -2.799 3.558 62 HA ASP 7 HA ASP 7 8.834 -4.834 3.136 63 1HB ASP 7 1HB ASP 7 9.475 -3.952 0.766 64 2HB ASP 7 2HB ASP 7 10.942 -4.892 1.011 65 H GLU 8 H GLU 8 10.285 -7.016 2.637 66 HA GLU 8 HA GLU 8 12.180 -7.033 4.854 67 1HB GLU 8 1HB GLU 8 10.455 -8.652 5.104 68 2HB GLU 8 2HB GLU 8 10.642 -9.210 3.446 69 1HG GLU 8 1HG GLU 8 12.304 -10.597 3.972 70 2HG GLU 8 2HG GLU 8 13.059 -9.429 5.054 71 H GLN 9 H GLN 9 12.235 -6.818 1.529 72 HA GLN 9 HA GLN 9 14.623 -8.442 1.158 73 1HB GLN 9 1HB GLN 9 13.663 -6.635 -0.995 74 2HB GLN 9 2HB GLN 9 14.263 -8.283 -1.096 75 1HG GLN 9 1HG GLN 9 12.045 -8.892 0.097 76 2HG GLN 9 2HG GLN 9 11.517 -7.307 -0.464 77 1HE2 GLN 9 2HE2 GLN 9 13.178 -7.469 -2.870 78 2HE2 GLN 9 1HE2 GLN 9 12.361 -8.553 -3.937 79 H SER 10 H SER 10 13.699 -5.079 1.450 80 HA SER 10 HA SER 10 16.552 -4.371 1.494 81 1HB SER 10 1HB SER 10 14.842 -3.611 -0.541 82 2HB SER 10 2HB SER 10 14.836 -2.209 0.528 83 HG SER 10 HG SER 10 17.123 -3.480 -0.574 84 H GLY 11 H GLY 11 13.812 -4.572 3.236 85 1HA GLY 11 1HA GLY 11 13.050 -3.599 5.170 86 2HA GLY 11 2HA GLY 11 14.726 -3.165 5.433 87 H GLU 12 H GLU 12 13.296 -1.932 2.610 88 HA GLU 12 HA GLU 12 11.900 0.287 3.346 89 1HB GLU 12 1HB GLU 12 13.603 1.147 4.717 90 2HB GLU 12 2HB GLU 12 14.860 0.760 3.549 91 1HG GLU 12 1HG GLU 12 14.081 2.488 2.065 92 2HG GLU 12 2HG GLU 12 12.707 2.818 3.120 93 H TYR 13 H TYR 13 11.387 1.588 1.669 94 HA TYR 13 HA TYR 13 12.859 1.325 -0.820 95 1HB TYR 13 1HB TYR 13 10.033 0.422 -0.379 96 2HB TYR 13 2HB TYR 13 10.636 0.841 -1.981 97 HD1 TYR 13 HD1 TYR 13 11.292 -1.353 0.940 98 HD2 TYR 13 HD2 TYR 13 11.829 -0.714 -3.219 99 HE1 TYR 13 HE1 TYR 13 12.253 -3.614 0.731 100 HE2 TYR 13 HE2 TYR 13 12.763 -2.953 -3.468 101 HH TYR 13 HH TYR 13 13.940 -4.631 -2.010 102 H ALA 14 H ALA 14 13.077 3.548 0.382 103 HA ALA 14 HA ALA 14 11.130 5.488 0.404 104 1HB ALA 14 1HB ALA 14 14.074 5.506 0.167 105 2HB ALA 14 2HB ALA 14 13.241 6.987 -0.306 106 3HB ALA 14 3HB ALA 14 13.023 6.333 1.317 107 H VAL 15 H VAL 15 10.277 6.925 -1.035 108 HA VAL 15 HA VAL 15 11.152 7.117 -3.740 109 HB VAL 15 HB VAL 15 10.031 4.861 -3.544 110 1HG1 VAL 15 1HG1 VAL 15 7.572 6.576 -3.312 111 2HG1 VAL 15 2HG1 VAL 15 7.551 4.891 -3.876 112 3HG1 VAL 15 3HG1 VAL 15 8.126 5.269 -2.258 113 1HG2 VAL 15 1HG2 VAL 15 9.951 6.825 -5.610 114 2HG2 VAL 15 2HG2 VAL 15 10.094 5.074 -5.744 115 3HG2 VAL 15 3HG2 VAL 15 8.498 5.819 -5.674 116 H ASP 16 H ASP 16 8.600 7.636 -4.779 117 HA ASP 16 HA ASP 16 7.359 9.721 -3.300 118 1HB ASP 16 1HB ASP 16 8.503 10.448 -5.934 119 2HB ASP 16 2HB ASP 16 7.956 11.512 -4.647 120 H ALA 17 H ALA 17 5.608 10.618 -4.568 121 HA ALA 17 HA ALA 17 4.803 8.971 -6.838 122 1HB ALA 17 1HB ALA 17 4.042 8.408 -4.313 123 2HB ALA 17 2HB ALA 17 2.724 9.476 -4.863 124 3HB ALA 17 3HB ALA 17 3.112 7.999 -5.772 125 H GLN 18 H GLN 18 2.413 9.828 -7.395 126 HA GLN 18 HA GLN 18 2.360 12.751 -7.255 127 1HB GLN 18 1HB GLN 18 1.825 11.433 -9.892 128 2HB GLN 18 2HB GLN 18 2.272 13.099 -9.555 129 1HG GLN 18 1HG GLN 18 4.534 12.310 -8.919 130 2HG GLN 18 2HG GLN 18 4.061 10.686 -9.417 131 1HE2 GLN 18 2HE2 GLN 18 6.107 12.618 -10.428 132 2HE2 GLN 18 1HE2 GLN 18 5.796 12.743 -12.123 133 H ASP 19 H ASP 19 0.366 13.471 -6.806 134 HA ASP 19 HA ASP 19 -1.745 12.022 -6.045 135 1HB ASP 19 1HB ASP 19 -2.199 14.482 -7.697 136 2HB ASP 19 2HB ASP 19 -3.160 13.895 -6.353 137 H GLY 20 H GLY 20 -2.673 10.360 -6.878 138 1HA GLY 20 1HA GLY 20 -4.396 9.736 -8.557 139 2HA GLY 20 2HA GLY 20 -3.291 10.384 -9.763 140 H GLN 21 H GLN 21 -1.458 8.917 -7.386 141 HA GLN 21 HA GLN 21 -1.521 6.330 -8.805 142 1HB GLN 21 1HB GLN 21 0.929 7.741 -7.743 143 2HB GLN 21 2HB GLN 21 0.906 6.176 -8.544 144 1HG GLN 21 1HG GLN 21 0.644 7.081 -10.613 145 2HG GLN 21 2HG GLN 21 -0.227 8.483 -10.005 146 1HE2 GLN 21 2HE2 GLN 21 2.653 7.666 -8.376 147 2HE2 GLN 21 1HE2 GLN 21 3.646 8.905 -9.036 148 H SER 22 H SER 22 -1.159 4.495 -7.573 149 HA SER 22 HA SER 22 -1.645 4.872 -4.726 150 1HB SER 22 1HB SER 22 -1.905 2.276 -4.907 151 2HB SER 22 2HB SER 22 -3.172 3.315 -5.552 152 HG SER 22 HG SER 22 -2.359 1.548 -6.941 153 H LEU 23 H LEU 23 -0.658 2.749 -3.497 154 HA LEU 23 HA LEU 23 2.247 3.162 -3.668 155 1HB LEU 23 1HB LEU 23 0.548 1.660 -1.670 156 2HB LEU 23 2HB LEU 23 2.295 1.797 -1.583 157 HG LEU 23 HG LEU 23 1.776 3.492 -0.176 158 1HD1 LEU 23 1HD1 LEU 23 1.572 4.719 -2.907 159 2HD1 LEU 23 2HD1 LEU 23 1.553 5.683 -1.436 160 3HD1 LEU 23 3HD1 LEU 23 2.954 4.687 -1.813 161 1HD2 LEU 23 1HD2 LEU 23 -0.708 2.970 -0.529 162 2HD2 LEU 23 2HD2 LEU 23 -0.275 4.596 -0.003 163 3HD2 LEU 23 3HD2 LEU 23 -0.685 4.297 -1.691 164 H MET 24 H MET 24 0.463 1.506 -5.527 165 HA MET 24 HA MET 24 1.899 -1.047 -5.327 166 1HB MET 24 1HB MET 24 0.196 -2.021 -6.670 167 2HB MET 24 2HB MET 24 -0.641 -1.034 -5.478 168 1HG MET 24 1HG MET 24 -1.772 -0.481 -7.383 169 2HG MET 24 2HG MET 24 -0.543 0.782 -7.349 170 1HE MET 24 1HE MET 24 -2.463 -1.278 -9.361 171 2HE MET 24 2HE MET 24 -1.989 0.154 -10.275 172 3HE MET 24 3HE MET 24 -1.579 -1.452 -10.878 173 H GLU 25 H GLU 25 1.380 1.807 -7.207 174 HA GLU 25 HA GLU 25 2.902 0.780 -9.454 175 1HB GLU 25 1HB GLU 25 1.858 3.588 -9.164 176 2HB GLU 25 2HB GLU 25 2.272 2.734 -10.643 177 1HG GLU 25 1HG GLU 25 0.360 1.297 -10.406 178 2HG GLU 25 2HG GLU 25 -0.019 2.006 -8.837 179 H VAL 26 H VAL 26 3.262 3.253 -6.909 180 HA VAL 26 HA VAL 26 5.609 4.354 -7.860 181 HB VAL 26 HB VAL 26 5.847 3.742 -5.005 182 1HG1 VAL 26 1HG1 VAL 26 7.025 5.399 -6.552 183 2HG1 VAL 26 2HG1 VAL 26 5.591 6.389 -6.340 184 3HG1 VAL 26 3HG1 VAL 26 6.558 5.939 -4.944 185 1HG2 VAL 26 1HG2 VAL 26 3.384 3.880 -5.247 186 2HG2 VAL 26 2HG2 VAL 26 4.140 5.089 -4.206 187 3HG2 VAL 26 3HG2 VAL 26 3.616 5.532 -5.832 188 H ALA 27 H ALA 27 5.212 1.677 -5.663 189 HA ALA 27 HA ALA 27 7.532 0.626 -5.161 190 1HB ALA 27 1HB ALA 27 4.979 -0.477 -5.487 191 2HB ALA 27 2HB ALA 27 6.090 -1.546 -6.349 192 3HB ALA 27 3HB ALA 27 6.353 -1.188 -4.638 193 H THR 28 H THR 28 6.018 -0.700 -8.047 194 HA THR 28 HA THR 28 8.257 -1.802 -9.162 195 HB THR 28 HB THR 28 6.997 -2.222 -11.001 196 HG1 THR 28 HG1 THR 28 7.096 -0.129 -11.848 197 1HG2 THR 28 1HG2 THR 28 5.465 -2.554 -9.048 198 2HG2 THR 28 2HG2 THR 28 4.733 -1.005 -9.467 199 3HG2 THR 28 3HG2 THR 28 4.683 -2.344 -10.615 200 H GLN 29 H GLN 29 7.288 1.521 -9.089 201 HA GLN 29 HA GLN 29 9.238 2.348 -11.053 202 1HB GLN 29 1HB GLN 29 7.613 4.029 -9.139 203 2HB GLN 29 2HB GLN 29 8.563 4.636 -10.487 204 1HG GLN 29 1HG GLN 29 6.720 2.623 -11.385 205 2HG GLN 29 2HG GLN 29 5.875 3.890 -10.496 206 1HE2 GLN 29 2HE2 GLN 29 7.843 3.155 -13.272 207 2HE2 GLN 29 1HE2 GLN 29 7.532 4.621 -14.132 208 H ASN 30 H ASN 30 9.011 2.068 -7.597 209 HA ASN 30 HA ASN 30 11.518 3.460 -7.143 210 1HB ASN 30 1HB ASN 30 10.410 1.912 -4.914 211 2HB ASN 30 2HB ASN 30 10.843 3.604 -4.976 212 1HD2 ASN 30 2HD2 ASN 30 8.464 2.172 -3.908 213 2HD2 ASN 30 1HD2 ASN 30 7.119 2.892 -4.647 214 H GLY 31 H GLY 31 10.869 0.564 -8.397 215 1HA GLY 31 1HA GLY 31 12.229 -1.286 -8.726 216 2HA GLY 31 2HA GLY 31 13.403 -0.568 -7.629 217 H VAL 32 H VAL 32 10.321 -0.601 -6.330 218 HA VAL 32 HA VAL 32 10.956 -2.301 -4.203 219 HB VAL 32 HB VAL 32 8.217 -1.505 -5.085 220 1HG1 VAL 32 1HG1 VAL 32 8.528 -3.077 -3.124 221 2HG1 VAL 32 2HG1 VAL 32 9.209 -1.678 -2.280 222 3HG1 VAL 32 3HG1 VAL 32 7.541 -1.631 -2.871 223 1HG2 VAL 32 1HG2 VAL 32 10.314 0.134 -3.739 224 2HG2 VAL 32 2HG2 VAL 32 9.367 0.516 -5.180 225 3HG2 VAL 32 3HG2 VAL 32 8.594 0.493 -3.593 226 HA PRO 33 HA PRO 33 10.397 -6.502 -5.231 227 1HB PRO 33 1HB PRO 33 8.206 -6.567 -3.270 228 2HB PRO 33 2HB PRO 33 9.726 -7.460 -3.278 229 1HG PRO 33 1HG PRO 33 9.086 -5.053 -1.829 230 2HG PRO 33 2HG PRO 33 10.591 -5.971 -1.794 231 1HD PRO 33 1HD PRO 33 10.321 -3.447 -2.829 232 2HD PRO 33 2HD PRO 33 11.599 -4.583 -3.278 233 H GLY 34 H GLY 34 7.636 -4.382 -5.023 234 1HA GLY 34 1HA GLY 34 5.732 -4.215 -6.298 235 2HA GLY 34 2HA GLY 34 6.584 -5.157 -7.511 236 H ILE 35 H ILE 35 5.413 -5.906 -4.233 237 HA ILE 35 HA ILE 35 4.354 -8.430 -5.204 238 HB ILE 35 HB ILE 35 4.243 -7.322 -2.398 239 1HG1 ILE 35 1HG1 ILE 35 6.217 -9.409 -3.165 240 2HG1 ILE 35 2HG1 ILE 35 6.557 -7.760 -3.681 241 1HG2 ILE 35 1HG2 ILE 35 3.040 -9.559 -3.567 242 2HG2 ILE 35 2HG2 ILE 35 4.399 -10.181 -2.632 243 3HG2 ILE 35 3HG2 ILE 35 3.171 -9.187 -1.848 244 1HD1 ILE 35 1HD1 ILE 35 5.779 -7.708 -0.949 245 2HD1 ILE 35 2HD1 ILE 35 7.022 -8.941 -1.167 246 3HD1 ILE 35 3HD1 ILE 35 7.329 -7.280 -1.671 247 H VAL 36 H VAL 36 2.949 -6.585 -6.471 248 HA VAL 36 HA VAL 36 0.395 -6.493 -5.016 249 HB VAL 36 HB VAL 36 1.779 -4.270 -5.625 250 1HG1 VAL 36 1HG1 VAL 36 1.257 -5.027 -8.139 251 2HG1 VAL 36 2HG1 VAL 36 -0.199 -4.088 -7.811 252 3HG1 VAL 36 3HG1 VAL 36 1.388 -3.339 -7.647 253 1HG2 VAL 36 1HG2 VAL 36 -0.311 -4.552 -4.291 254 2HG2 VAL 36 2HG2 VAL 36 -0.223 -3.056 -5.214 255 3HG2 VAL 36 3HG2 VAL 36 -1.222 -4.388 -5.792 256 H ALA 37 H ALA 37 1.459 -8.505 -6.880 257 HA ALA 37 HA ALA 37 0.781 -9.779 -8.638 258 1HB ALA 37 1HB ALA 37 -1.360 -9.445 -7.173 259 2HB ALA 37 2HB ALA 37 -1.916 -8.516 -8.565 260 3HB ALA 37 3HB ALA 37 -1.467 -10.210 -8.759 261 H GLU 38 H GLU 38 -0.622 -9.600 -10.814 262 HA GLU 38 HA GLU 38 0.560 -7.339 -12.232 263 1HB GLU 38 1HB GLU 38 0.723 -9.853 -12.907 264 2HB GLU 38 2HB GLU 38 -0.884 -9.595 -13.571 265 1HG GLU 38 1HG GLU 38 0.510 -9.227 -15.379 266 2HG GLU 38 2HG GLU 38 0.162 -7.599 -14.798 267 H CYS 39 H CYS 39 -2.526 -8.446 -11.146 268 HA CYS 39 HA CYS 39 -4.200 -7.327 -13.069 269 1HB CYS 39 1HB CYS 39 -5.815 -8.086 -11.716 270 2HB CYS 39 2HB CYS 39 -4.551 -8.591 -10.606 271 H GLY 40 H GLY 40 -2.338 -5.826 -10.557 272 1HA GLY 40 1HA GLY 40 -2.272 -3.627 -9.804 273 2HA GLY 40 2HA GLY 40 -2.073 -3.356 -11.527 274 H GLY 41 H GLY 41 -4.725 -3.998 -9.218 275 1HA GLY 41 1HA GLY 41 -6.475 -2.474 -8.763 276 2HA GLY 41 2HA GLY 41 -6.083 -1.618 -10.244 277 H SER 42 H SER 42 -6.042 -4.607 -11.352 278 HA SER 42 HA SER 42 -8.521 -4.435 -12.657 279 1HB SER 42 1HB SER 42 -6.263 -6.019 -12.916 280 2HB SER 42 2HB SER 42 -7.511 -7.168 -12.436 281 HG SER 42 HG SER 42 -7.764 -5.302 -14.561 282 H CYS 43 H CYS 43 -7.810 -5.358 -9.497 283 HA CYS 43 HA CYS 43 -9.034 -6.228 -7.798 284 1HB CYS 43 1HB CYS 43 -11.242 -5.616 -7.695 285 2HB CYS 43 2HB CYS 43 -10.725 -4.591 -9.026 286 HG CYS 43 HG CYS 43 -12.428 -5.670 -10.399 287 H VAL 44 H VAL 44 -8.192 -7.864 -10.276 288 HA VAL 44 HA VAL 44 -10.001 -10.141 -10.005 289 HB VAL 44 HB VAL 44 -9.030 -11.057 -11.940 290 1HG1 VAL 44 1HG1 VAL 44 -9.244 -8.071 -12.121 291 2HG1 VAL 44 2HG1 VAL 44 -8.918 -9.065 -13.541 292 3HG1 VAL 44 3HG1 VAL 44 -10.408 -9.295 -12.627 293 1HG2 VAL 44 1HG2 VAL 44 -6.658 -9.744 -11.004 294 2HG2 VAL 44 2HG2 VAL 44 -6.821 -11.044 -12.184 295 3HG2 VAL 44 3HG2 VAL 44 -6.926 -9.363 -12.704 296 H CYS 45 H CYS 45 -7.398 -9.008 -8.378 297 HA CYS 45 HA CYS 45 -6.608 -11.721 -7.581 298 1HB CYS 45 1HB CYS 45 -4.373 -11.373 -7.847 299 2HB CYS 45 2HB CYS 45 -4.941 -10.274 -9.095 300 H ALA 46 H ALA 46 -4.974 -11.298 -5.546 301 HA ALA 46 HA ALA 46 -5.931 -9.233 -3.777 302 1HB ALA 46 1HB ALA 46 -7.507 -11.403 -3.806 303 2HB ALA 46 2HB ALA 46 -6.324 -11.913 -2.601 304 3HB ALA 46 3HB ALA 46 -7.236 -10.422 -2.366 305 H THR 47 H THR 47 -3.424 -10.429 -4.960 306 HA THR 47 HA THR 47 -1.995 -11.275 -2.559 307 HB THR 47 HB THR 47 -0.371 -10.994 -4.951 308 HG1 THR 47 HG1 THR 47 -2.412 -12.915 -5.175 309 1HG2 THR 47 1HG2 THR 47 -0.855 -12.955 -2.851 310 2HG2 THR 47 2HG2 THR 47 -0.549 -13.663 -4.437 311 3HG2 THR 47 3HG2 THR 47 0.626 -12.559 -3.722 312 H CYS 48 H CYS 48 -2.944 -8.438 -3.480 313 HA CYS 48 HA CYS 48 -0.393 -7.031 -3.408 314 1HB CYS 48 1HB CYS 48 -1.960 -4.994 -3.618 315 2HB CYS 48 2HB CYS 48 -1.816 -6.072 -5.002 316 H ARG 49 H ARG 49 -0.755 -8.352 -1.083 317 HA ARG 49 HA ARG 49 -2.083 -6.768 0.894 318 1HB ARG 49 1HB ARG 49 -0.163 -9.084 1.057 319 2HB ARG 49 2HB ARG 49 -0.790 -8.279 2.489 320 1HG ARG 49 1HG ARG 49 -2.494 -9.573 0.371 321 2HG ARG 49 2HG ARG 49 -2.023 -10.332 1.893 322 1HD ARG 49 1HD ARG 49 -3.271 -7.657 2.070 323 2HD ARG 49 2HD ARG 49 -4.318 -8.985 1.571 324 HE ARG 49 HE ARG 49 -3.344 -8.489 4.185 325 1HH1 ARG 49 1HH1 ARG 49 -4.096 -11.065 1.965 326 2HH1 ARG 49 2HH1 ARG 49 -4.422 -12.220 3.215 327 1HH2 ARG 49 1HH2 ARG 49 -3.771 -10.002 5.837 328 2HH2 ARG 49 2HH2 ARG 49 -4.237 -11.615 5.415 329 H ILE 50 H ILE 50 -1.245 -4.697 0.755 330 HA ILE 50 HA ILE 50 1.560 -4.404 1.613 331 HB ILE 50 HB ILE 50 0.005 -2.240 0.220 332 1HG1 ILE 50 1HG1 ILE 50 1.634 -4.460 -1.029 333 2HG1 ILE 50 2HG1 ILE 50 -0.066 -4.095 -1.315 334 1HG2 ILE 50 1HG2 ILE 50 2.252 -1.963 1.522 335 2HG2 ILE 50 2HG2 ILE 50 2.954 -2.664 0.064 336 3HG2 ILE 50 3HG2 ILE 50 2.026 -1.169 -0.036 337 1HD1 ILE 50 1HD1 ILE 50 1.476 -1.779 -1.903 338 2HD1 ILE 50 2HD1 ILE 50 2.185 -3.168 -2.727 339 3HD1 ILE 50 3HD1 ILE 50 0.488 -2.763 -2.983 340 H GLU 51 H GLU 51 2.025 -2.793 3.173 341 HA GLU 51 HA GLU 51 -0.337 -1.855 4.664 342 1HB GLU 51 1HB GLU 51 1.995 -3.409 5.552 343 2HB GLU 51 2HB GLU 51 1.605 -2.036 6.578 344 1HG GLU 51 1HG GLU 51 -0.770 -2.926 6.607 345 2HG GLU 51 2HG GLU 51 -0.109 -4.402 5.906 346 H ILE 52 H ILE 52 -0.462 0.275 4.814 347 HA ILE 52 HA ILE 52 1.622 2.046 4.021 348 HB ILE 52 HB ILE 52 -0.921 2.540 5.588 349 1HG1 ILE 52 1HG1 ILE 52 -0.972 1.684 3.138 350 2HG1 ILE 52 2HG1 ILE 52 -1.971 3.069 3.578 351 1HG2 ILE 52 1HG2 ILE 52 0.892 4.250 5.910 352 2HG2 ILE 52 2HG2 ILE 52 0.755 4.609 4.189 353 3HG2 ILE 52 3HG2 ILE 52 -0.626 4.866 5.256 354 1HD1 ILE 52 1HD1 ILE 52 0.736 3.237 2.302 355 2HD1 ILE 52 2HD1 ILE 52 -0.802 3.364 1.448 356 3HD1 ILE 52 3HD1 ILE 52 -0.359 4.578 2.649 357 H GLU 53 H GLU 53 3.013 3.362 5.410 358 HA GLU 53 HA GLU 53 3.754 2.044 7.778 359 1HB GLU 53 1HB GLU 53 5.387 3.588 7.947 360 2HB GLU 53 2HB GLU 53 4.780 4.178 6.415 361 1HG GLU 53 1HG GLU 53 4.708 6.133 7.491 362 2HG GLU 53 2HG GLU 53 3.191 5.504 8.105 363 H ASP 54 H ASP 54 3.450 2.861 10.097 364 HA ASP 54 HA ASP 54 0.636 3.195 10.518 365 1HB ASP 54 1HB ASP 54 2.995 2.717 12.268 366 2HB ASP 54 2HB ASP 54 1.524 3.334 13.013 367 H ALA 55 H ALA 55 2.247 5.494 9.421 368 HA ALA 55 HA ALA 55 1.444 7.543 11.362 369 1HB ALA 55 1HB ALA 55 3.890 7.397 10.684 370 2HB ALA 55 2HB ALA 55 3.367 7.923 9.081 371 3HB ALA 55 3HB ALA 55 3.114 8.968 10.478 372 H TRP 56 H TRP 56 1.130 6.262 8.186 373 HA TRP 56 HA TRP 56 -0.460 8.561 7.340 374 1HB TRP 56 1HB TRP 56 0.833 6.401 5.714 375 2HB TRP 56 2HB TRP 56 -0.003 7.814 5.080 376 HD1 TRP 56 HD1 TRP 56 2.913 7.042 7.423 377 HE1 TRP 56 HE1 TRP 56 4.676 8.873 7.189 378 HE3 TRP 56 HE3 TRP 56 0.448 9.993 4.067 379 HZ2 TRP 56 HZ2 TRP 56 4.988 11.270 5.747 380 HZ3 TRP 56 HZ3 TRP 56 1.597 12.031 3.283 381 HH2 TRP 56 HH2 TRP 56 3.785 12.656 4.096 382 H VAL 57 H VAL 57 -1.114 5.597 8.590 383 HA VAL 57 HA VAL 57 -3.022 4.650 6.752 384 HB VAL 57 HB VAL 57 -3.068 4.353 9.751 385 1HG1 VAL 57 1HG1 VAL 57 -5.113 3.823 8.418 386 2HG1 VAL 57 2HG1 VAL 57 -4.173 2.567 7.612 387 3HG1 VAL 57 3HG1 VAL 57 -4.454 2.475 9.352 388 1HG2 VAL 57 1HG2 VAL 57 -0.985 3.767 8.270 389 2HG2 VAL 57 2HG2 VAL 57 -1.502 2.715 9.591 390 3HG2 VAL 57 3HG2 VAL 57 -1.934 2.316 7.925 391 H GLU 58 H GLU 58 -3.043 6.923 9.386 392 HA GLU 58 HA GLU 58 -5.874 7.431 9.188 393 1HB GLU 58 1HB GLU 58 -3.623 8.665 10.765 394 2HB GLU 58 2HB GLU 58 -5.208 9.423 10.711 395 1HG GLU 58 1HG GLU 58 -4.626 6.633 11.680 396 2HG GLU 58 2HG GLU 58 -4.922 8.041 12.699 397 H ILE 59 H ILE 59 -3.220 8.135 7.385 398 HA ILE 59 HA ILE 59 -4.225 10.751 6.457 399 HB ILE 59 HB ILE 59 -1.588 9.357 6.192 400 1HG1 ILE 59 1HG1 ILE 59 -1.866 12.256 6.636 401 2HG1 ILE 59 2HG1 ILE 59 -2.430 11.211 7.934 402 1HG2 ILE 59 1HG2 ILE 59 -2.802 11.222 4.247 403 2HG2 ILE 59 2HG2 ILE 59 -1.118 11.506 4.685 404 3HG2 ILE 59 3HG2 ILE 59 -1.602 9.952 4.007 405 1HD1 ILE 59 1HD1 ILE 59 0.167 10.459 6.880 406 2HD1 ILE 59 2HD1 ILE 59 0.125 12.082 7.571 407 3HD1 ILE 59 3HD1 ILE 59 -0.364 10.698 8.546 408 H VAL 60 H VAL 60 -3.406 7.511 5.532 409 HA VAL 60 HA VAL 60 -4.267 7.899 2.787 410 HB VAL 60 HB VAL 60 -3.131 5.444 4.133 411 1HG1 VAL 60 1HG1 VAL 60 -4.514 5.327 1.914 412 2HG1 VAL 60 2HG1 VAL 60 -3.036 5.968 1.201 413 3HG1 VAL 60 3HG1 VAL 60 -3.001 4.436 2.071 414 1HG2 VAL 60 1HG2 VAL 60 -1.818 7.838 3.654 415 2HG2 VAL 60 2HG2 VAL 60 -1.065 6.254 3.864 416 3HG2 VAL 60 3HG2 VAL 60 -1.419 6.852 2.245 417 H GLY 61 H GLY 61 -4.776 4.920 4.613 418 1HA GLY 61 1HA GLY 61 -6.733 3.579 4.312 419 2HA GLY 61 2HA GLY 61 -7.143 4.697 5.601 420 H GLU 62 H GLU 62 -6.891 5.136 2.080 421 HA GLU 62 HA GLU 62 -9.427 6.534 2.109 422 1HB GLU 62 1HB GLU 62 -7.206 6.230 0.146 423 2HB GLU 62 2HB GLU 62 -8.771 6.812 -0.398 424 1HG GLU 62 1HG GLU 62 -7.742 8.161 1.985 425 2HG GLU 62 2HG GLU 62 -6.751 8.368 0.542 426 H ALA 63 H ALA 63 -8.285 3.420 1.279 427 HA ALA 63 HA ALA 63 -9.879 2.659 -0.812 428 1HB ALA 63 1HB ALA 63 -8.963 1.103 1.557 429 2HB ALA 63 2HB ALA 63 -10.077 0.380 0.393 430 3HB ALA 63 3HB ALA 63 -8.488 0.955 -0.135 431 H ASN 64 H ASN 64 -11.943 1.880 -1.072 432 HA ASN 64 HA ASN 64 -13.913 2.895 0.717 433 1HB ASN 64 1HB ASN 64 -15.431 1.748 -1.048 434 2HB ASN 64 2HB ASN 64 -14.461 3.111 -1.572 435 1HD2 ASN 64 2HD2 ASN 64 -14.712 2.301 -3.707 436 2HD2 ASN 64 1HD2 ASN 64 -13.721 1.002 -4.268 437 HA PRO 65 HA PRO 65 -14.942 -0.838 2.824 438 1HB PRO 65 1HB PRO 65 -17.737 -0.808 1.968 439 2HB PRO 65 2HB PRO 65 -17.058 -0.447 3.558 440 1HG PRO 65 1HG PRO 65 -18.157 1.461 1.981 441 2HG PRO 65 2HG PRO 65 -16.815 1.797 3.092 442 1HD PRO 65 1HD PRO 65 -16.742 1.316 0.130 443 2HD PRO 65 2HD PRO 65 -15.861 2.530 1.081 444 H ASP 66 H ASP 66 -14.699 -0.858 -0.393 445 HA ASP 66 HA ASP 66 -15.975 -3.426 -0.900 446 1HB ASP 66 1HB ASP 66 -14.436 -1.571 -2.732 447 2HB ASP 66 2HB ASP 66 -15.237 -3.056 -3.236 448 H GLU 67 H GLU 67 -12.752 -1.951 -1.123 449 HA GLU 67 HA GLU 67 -11.379 -4.353 -1.680 450 1HB GLU 67 1HB GLU 67 -10.083 -2.069 -0.232 451 2HB GLU 67 2HB GLU 67 -9.411 -3.119 -1.473 452 1HG GLU 67 1HG GLU 67 -11.135 -0.716 -1.747 453 2HG GLU 67 2HG GLU 67 -9.698 -1.188 -2.651 454 H ASN 68 H ASN 68 -12.480 -2.883 1.269 455 HA ASN 68 HA ASN 68 -10.857 -4.568 2.969 456 1HB ASN 68 1HB ASN 68 -11.376 -2.358 3.777 457 2HB ASN 68 2HB ASN 68 -13.103 -2.636 3.574 458 1HD2 ASN 68 2HD2 ASN 68 -10.535 -4.617 5.000 459 2HD2 ASN 68 1HD2 ASN 68 -11.278 -4.769 6.552 460 H ASP 69 H ASP 69 -14.088 -4.574 1.642 461 HA ASP 69 HA ASP 69 -15.008 -6.702 3.369 462 1HB ASP 69 1HB ASP 69 -16.188 -5.049 1.197 463 2HB ASP 69 2HB ASP 69 -16.896 -6.639 1.470 464 H LEU 70 H LEU 70 -14.186 -6.354 -0.076 465 HA LEU 70 HA LEU 70 -14.680 -8.928 -0.936 466 1HB LEU 70 1HB LEU 70 -14.066 -7.172 -2.477 467 2HB LEU 70 2HB LEU 70 -12.475 -7.037 -1.754 468 HG LEU 70 HG LEU 70 -12.744 -8.291 -4.006 469 1HD1 LEU 70 1HD1 LEU 70 -10.831 -8.280 -2.120 470 2HD1 LEU 70 2HD1 LEU 70 -11.236 -9.997 -2.134 471 3HD1 LEU 70 3HD1 LEU 70 -10.720 -9.199 -3.621 472 1HD2 LEU 70 1HD2 LEU 70 -14.545 -9.770 -2.620 473 2HD2 LEU 70 2HD2 LEU 70 -13.694 -10.326 -4.061 474 3HD2 LEU 70 3HD2 LEU 70 -13.095 -10.763 -2.461 475 H LEU 71 H LEU 71 -11.944 -7.681 0.871 476 HA LEU 71 HA LEU 71 -10.449 -10.139 0.696 477 1HB LEU 71 1HB LEU 71 -9.917 -7.464 1.453 478 2HB LEU 71 2HB LEU 71 -9.585 -8.464 2.855 479 HG LEU 71 HG LEU 71 -8.270 -9.904 1.034 480 1HD1 LEU 71 1HD1 LEU 71 -9.038 -7.765 -0.506 481 2HD1 LEU 71 2HD1 LEU 71 -7.393 -7.341 -0.032 482 3HD1 LEU 71 3HD1 LEU 71 -7.707 -8.867 -0.859 483 1HD2 LEU 71 1HD2 LEU 71 -7.426 -8.857 3.144 484 2HD2 LEU 71 2HD2 LEU 71 -6.261 -8.895 1.822 485 3HD2 LEU 71 3HD2 LEU 71 -7.099 -7.394 2.214 486 H GLN 72 H GLN 72 -12.301 -8.429 3.192 487 HA GLN 72 HA GLN 72 -11.912 -10.165 5.316 488 1HB GLN 72 1HB GLN 72 -13.921 -8.154 4.563 489 2HB GLN 72 2HB GLN 72 -14.513 -9.389 5.665 490 1HG GLN 72 1HG GLN 72 -13.347 -7.139 6.487 491 2HG GLN 72 2HG GLN 72 -13.265 -8.652 7.386 492 1HE2 GLN 72 2HE2 GLN 72 -11.559 -7.064 4.702 493 2HE2 GLN 72 1HE2 GLN 72 -9.971 -7.440 5.267 494 H SER 73 H SER 73 -13.886 -10.522 2.478 495 HA SER 73 HA SER 73 -15.643 -12.521 3.332 496 1HB SER 73 1HB SER 73 -15.110 -11.214 0.934 497 2HB SER 73 2HB SER 73 -14.745 -12.904 0.586 498 HG SER 73 HG SER 73 -17.121 -12.206 1.925 499 H THR 74 H THR 74 -12.270 -12.601 2.725 500 HA THR 74 HA THR 74 -12.105 -15.446 2.288 501 HB THR 74 HB THR 74 -9.751 -15.137 2.157 502 HG1 THR 74 HG1 THR 74 -9.144 -13.949 3.839 503 1HG2 THR 74 1HG2 THR 74 -11.198 -13.956 0.382 504 2HG2 THR 74 2HG2 THR 74 -10.657 -12.472 1.166 505 3HG2 THR 74 3HG2 THR 74 -9.476 -13.585 0.474 506 H GLY 75 H GLY 75 -11.714 -13.209 4.968 507 1HA GLY 75 1HA GLY 75 -11.944 -13.693 7.234 508 2HA GLY 75 2HA GLY 75 -11.960 -15.406 6.842 509 H GLU 76 H GLU 76 -9.484 -13.099 5.861 510 HA GLU 76 HA GLU 76 -7.494 -14.735 7.239 511 1HB GLU 76 1HB GLU 76 -7.445 -12.815 4.965 512 2HB GLU 76 2HB GLU 76 -5.979 -12.985 5.920 513 1HG GLU 76 1HG GLU 76 -7.356 -15.421 4.896 514 2HG GLU 76 2HG GLU 76 -6.358 -14.457 3.809 515 HA PRO 77 HA PRO 77 -6.609 -12.002 10.555 516 1HB PRO 77 1HB PRO 77 -3.854 -11.789 10.377 517 2HB PRO 77 2HB PRO 77 -4.720 -13.117 11.156 518 1HG PRO 77 1HG PRO 77 -3.529 -12.976 8.421 519 2HG PRO 77 2HG PRO 77 -3.552 -14.328 9.568 520 1HD PRO 77 1HD PRO 77 -5.210 -14.249 7.461 521 2HD PRO 77 2HD PRO 77 -5.731 -14.913 9.024 522 H MET 78 H MET 78 -6.004 -9.865 11.087 523 HA MET 78 HA MET 78 -5.135 -8.154 8.869 524 1HB MET 78 1HB MET 78 -7.741 -8.111 10.234 525 2HB MET 78 2HB MET 78 -6.950 -6.545 10.134 526 1HG MET 78 1HG MET 78 -6.804 -7.905 7.608 527 2HG MET 78 2HG MET 78 -8.471 -7.815 8.171 528 1HE MET 78 1HE MET 78 -7.734 -6.899 5.709 529 2HE MET 78 2HE MET 78 -8.636 -5.385 5.621 530 3HE MET 78 3HE MET 78 -6.879 -5.375 5.472 531 H THR 79 H THR 79 -4.547 -5.932 9.643 532 HA THR 79 HA THR 79 -3.769 -5.808 12.453 533 HB THR 79 HB THR 79 -1.498 -5.623 12.122 534 HG1 THR 79 HG1 THR 79 -1.581 -5.261 9.363 535 1HG2 THR 79 1HG2 THR 79 -2.290 -7.882 11.319 536 2HG2 THR 79 2HG2 THR 79 -2.066 -7.267 9.682 537 3HG2 THR 79 3HG2 THR 79 -0.691 -7.368 10.781 538 H ALA 80 H ALA 80 -2.103 -3.559 12.220 539 HA ALA 80 HA ALA 80 -4.115 -1.518 11.712 540 1HB ALA 80 1HB ALA 80 -1.573 -1.640 13.251 541 2HB ALA 80 2HB ALA 80 -2.140 -0.068 12.685 542 3HB ALA 80 3HB ALA 80 -3.163 -1.049 13.736 543 H GLY 81 H GLY 81 -4.145 -0.253 9.975 544 1HA GLY 81 1HA GLY 81 -3.271 1.083 8.275 545 2HA GLY 81 2HA GLY 81 -1.686 0.394 8.565 546 H THR 82 H THR 82 -3.198 -2.323 8.442 547 HA THR 82 HA THR 82 -2.466 -2.985 5.822 548 HB THR 82 HB THR 82 -4.620 -4.623 6.978 549 HG1 THR 82 HG1 THR 82 -3.849 -4.203 8.933 550 1HG2 THR 82 1HG2 THR 82 -2.121 -4.997 5.561 551 2HG2 THR 82 2HG2 THR 82 -2.308 -6.108 6.918 552 3HG2 THR 82 3HG2 THR 82 -3.540 -6.041 5.658 553 H ARG 83 H ARG 83 -3.434 -2.709 3.914 554 HA ARG 83 HA ARG 83 -6.273 -2.678 3.588 555 1HB ARG 83 1HB ARG 83 -5.303 -0.299 4.462 556 2HB ARG 83 2HB ARG 83 -5.151 -0.089 2.727 557 1HG ARG 83 1HG ARG 83 -7.586 -0.754 2.565 558 2HG ARG 83 2HG ARG 83 -7.644 -0.586 4.321 559 1HD ARG 83 1HD ARG 83 -8.389 1.467 3.221 560 2HD ARG 83 2HD ARG 83 -6.905 1.734 4.127 561 HE ARG 83 HE ARG 83 -7.219 1.800 1.233 562 1HH1 ARG 83 1HH1 ARG 83 -5.070 1.824 3.986 563 2HH1 ARG 83 2HH1 ARG 83 -3.695 2.346 3.074 564 1HH2 ARG 83 1HH2 ARG 83 -5.377 2.432 0.021 565 2HH2 ARG 83 2HH2 ARG 83 -3.872 2.702 0.829 566 H LEU 84 H LEU 84 -6.808 -1.892 1.250 567 HA LEU 84 HA LEU 84 -5.119 -3.380 -0.526 568 1HB LEU 84 1HB LEU 84 -7.765 -2.778 -0.518 569 2HB LEU 84 2HB LEU 84 -7.174 -1.605 -1.681 570 HG LEU 84 HG LEU 84 -5.970 -3.885 -2.571 571 1HD1 LEU 84 1HD1 LEU 84 -7.521 -4.990 -0.749 572 2HD1 LEU 84 2HD1 LEU 84 -8.732 -4.835 -2.023 573 3HD1 LEU 84 3HD1 LEU 84 -7.255 -5.754 -2.316 574 1HD2 LEU 84 1HD2 LEU 84 -8.634 -2.687 -3.296 575 2HD2 LEU 84 2HD2 LEU 84 -7.062 -2.347 -4.021 576 3HD2 LEU 84 3HD2 LEU 84 -7.823 -3.921 -4.260 577 H SER 85 H SER 85 -3.213 -2.539 -1.084 578 HA SER 85 HA SER 85 -2.661 0.234 -1.177 579 1HB SER 85 1HB SER 85 -1.169 -2.141 -1.240 580 2HB SER 85 2HB SER 85 -0.800 -1.314 -2.754 581 HG SER 85 HG SER 85 -0.839 0.375 -0.614 582 H CYS 86 H CYS 86 -3.692 -2.074 -3.604 583 HA CYS 86 HA CYS 86 -3.170 -0.225 -5.775 584 1HB CYS 86 1HB CYS 86 -3.681 -1.957 -7.238 585 2HB CYS 86 2HB CYS 86 -3.009 -2.815 -5.858 586 H GLN 87 H GLN 87 -5.068 0.607 -3.699 587 HA GLN 87 HA GLN 87 -7.384 1.009 -5.462 588 1HB GLN 87 1HB GLN 87 -7.964 -0.652 -3.751 589 2HB GLN 87 2HB GLN 87 -7.523 0.491 -2.490 590 1HG GLN 87 1HG GLN 87 -9.770 0.808 -2.520 591 2HG GLN 87 2HG GLN 87 -9.293 2.006 -3.721 592 1HE2 GLN 87 2HE2 GLN 87 -11.687 1.561 -4.146 593 2HE2 GLN 87 1HE2 GLN 87 -12.030 0.365 -5.345 594 H VAL 88 H VAL 88 -5.133 2.395 -3.187 595 HA VAL 88 HA VAL 88 -6.676 4.890 -3.221 596 HB VAL 88 HB VAL 88 -4.596 3.820 -1.348 597 1HG1 VAL 88 1HG1 VAL 88 -3.999 6.138 -1.916 598 2HG1 VAL 88 2HG1 VAL 88 -5.614 6.654 -1.429 599 3HG1 VAL 88 3HG1 VAL 88 -4.511 5.965 -0.236 600 1HG2 VAL 88 1HG2 VAL 88 -7.419 4.820 -1.067 601 2HG2 VAL 88 2HG2 VAL 88 -6.835 3.167 -0.879 602 3HG2 VAL 88 3HG2 VAL 88 -6.379 4.402 0.297 603 H PHE 89 H PHE 89 -5.978 6.582 -4.313 604 HA PHE 89 HA PHE 89 -3.280 6.489 -5.454 605 1HB PHE 89 1HB PHE 89 -5.684 7.993 -6.472 606 2HB PHE 89 2HB PHE 89 -4.134 7.816 -7.284 607 HD1 PHE 89 HD1 PHE 89 -4.074 4.856 -6.075 608 HD2 PHE 89 HD2 PHE 89 -6.677 7.069 -8.608 609 HE1 PHE 89 HE1 PHE 89 -4.848 2.743 -7.112 610 HE2 PHE 89 HE2 PHE 89 -7.465 4.975 -9.652 611 HZ PHE 89 HZ PHE 89 -6.547 2.807 -8.904 612 H ILE 90 H ILE 90 -1.887 8.013 -5.093 613 HA ILE 90 HA ILE 90 -1.754 9.678 -3.031 614 HB ILE 90 HB ILE 90 -0.664 10.052 -5.811 615 1HG1 ILE 90 1HG1 ILE 90 -0.124 8.114 -4.030 616 2HG1 ILE 90 2HG1 ILE 90 1.078 8.750 -5.149 617 1HG2 ILE 90 1HG2 ILE 90 -0.099 11.608 -3.317 618 2HG2 ILE 90 2HG2 ILE 90 1.081 11.435 -4.612 619 3HG2 ILE 90 3HG2 ILE 90 -0.468 12.214 -4.927 620 1HD1 ILE 90 1HD1 ILE 90 1.787 10.353 -3.361 621 2HD1 ILE 90 2HD1 ILE 90 0.693 9.495 -2.266 622 3HD1 ILE 90 3HD1 ILE 90 2.058 8.643 -2.983 623 H ASP 91 H ASP 91 -1.838 12.014 -2.814 624 HA ASP 91 HA ASP 91 -3.193 13.786 -4.467 625 1HB ASP 91 1HB ASP 91 -5.407 13.604 -3.874 626 2HB ASP 91 2HB ASP 91 -4.965 11.984 -3.362 627 HA PRO 92 HA PRO 92 -1.410 16.455 -1.383 628 1HB PRO 92 1HB PRO 92 -3.885 18.056 -1.120 629 2HB PRO 92 2HB PRO 92 -2.288 18.548 -1.696 630 1HG PRO 92 1HG PRO 92 -4.329 18.279 -3.400 631 2HG PRO 92 2HG PRO 92 -2.687 17.787 -3.857 632 1HD PRO 92 1HD PRO 92 -4.976 16.086 -2.928 633 2HD PRO 92 2HD PRO 92 -3.845 15.800 -4.270 634 H SER 93 H SER 93 -2.514 14.152 -0.383 635 HA SER 93 HA SER 93 -3.247 14.903 2.338 636 1HB SER 93 1HB SER 93 -5.205 13.740 2.323 637 2HB SER 93 2HB SER 93 -5.107 13.927 0.565 638 HG SER 93 HG SER 93 -4.370 11.711 2.155 639 H MET 94 H MET 94 -2.068 12.529 0.040 640 HA MET 94 HA MET 94 -0.647 11.077 2.154 641 1HB MET 94 1HB MET 94 -1.753 10.205 -0.517 642 2HB MET 94 2HB MET 94 -0.613 9.231 0.393 643 1HG MET 94 1HG MET 94 -2.137 8.761 2.056 644 2HG MET 94 2HG MET 94 -3.112 10.183 1.699 645 1HE MET 94 1HE MET 94 -1.475 7.885 -0.593 646 2HE MET 94 2HE MET 94 -2.480 6.439 -0.511 647 3HE MET 94 3HE MET 94 -2.727 7.612 -1.803 648 H ASP 95 H ASP 95 0.446 13.409 1.215 649 HA ASP 95 HA ASP 95 2.291 12.772 -0.856 650 1HB ASP 95 1HB ASP 95 2.404 15.354 0.625 651 2HB ASP 95 2HB ASP 95 2.581 15.062 -1.091 652 H GLY 96 H GLY 96 4.330 12.100 -0.462 653 1HA GLY 96 1HA GLY 96 6.268 11.698 0.769 654 2HA GLY 96 2HA GLY 96 5.662 12.819 1.982 655 H LEU 97 H LEU 97 3.615 10.279 0.813 656 HA LEU 97 HA LEU 97 3.406 9.296 3.461 657 1HB LEU 97 1HB LEU 97 1.395 8.528 2.926 658 2HB LEU 97 2HB LEU 97 1.602 9.475 1.477 659 HG LEU 97 HG LEU 97 0.647 7.237 1.102 660 1HD1 LEU 97 1HD1 LEU 97 2.655 8.544 -0.312 661 2HD1 LEU 97 2HD1 LEU 97 3.025 6.819 -0.398 662 3HD1 LEU 97 3HD1 LEU 97 1.450 7.415 -0.922 663 1HD2 LEU 97 1HD2 LEU 97 2.286 6.235 2.909 664 2HD2 LEU 97 2HD2 LEU 97 1.666 5.266 1.574 665 3HD2 LEU 97 3HD2 LEU 97 3.289 5.946 1.487 666 H ILE 98 H ILE 98 3.598 7.189 4.172 667 HA ILE 98 HA ILE 98 5.890 5.880 2.913 668 HB ILE 98 HB ILE 98 5.063 5.855 5.789 669 1HG1 ILE 98 1HG1 ILE 98 7.100 7.177 6.158 670 2HG1 ILE 98 2HG1 ILE 98 7.402 7.185 4.423 671 1HG2 ILE 98 1HG2 ILE 98 6.272 3.801 4.738 672 2HG2 ILE 98 2HG2 ILE 98 7.689 4.847 4.817 673 3HG2 ILE 98 3HG2 ILE 98 6.806 4.450 6.289 674 1HD1 ILE 98 1HD1 ILE 98 4.756 8.090 5.142 675 2HD1 ILE 98 2HD1 ILE 98 6.040 9.099 5.801 676 3HD1 ILE 98 3HD1 ILE 98 5.937 8.814 4.062 677 H VAL 99 H VAL 99 5.892 3.796 2.428 678 HA VAL 99 HA VAL 99 3.513 2.265 3.147 679 HB VAL 99 HB VAL 99 4.947 1.415 0.754 680 1HG1 VAL 99 1HG1 VAL 99 2.338 1.347 2.022 681 2HG1 VAL 99 2HG1 VAL 99 2.264 1.610 0.271 682 3HG1 VAL 99 3HG1 VAL 99 3.097 0.194 0.916 683 1HG2 VAL 99 1HG2 VAL 99 3.295 3.944 0.803 684 2HG2 VAL 99 2HG2 VAL 99 5.005 3.821 0.396 685 3HG2 VAL 99 3HG2 VAL 99 3.794 3.092 -0.658 686 H ARG 100 H ARG 100 3.809 -0.031 3.547 687 HA ARG 100 HA ARG 100 6.581 -0.917 3.703 688 1HB ARG 100 1HB ARG 100 4.909 -1.312 6.148 689 2HB ARG 100 2HB ARG 100 6.659 -1.296 5.985 690 1HG ARG 100 1HG ARG 100 6.465 1.173 5.490 691 2HG ARG 100 2HG ARG 100 4.781 1.047 6.003 692 1HD ARG 100 1HD ARG 100 5.428 1.274 8.111 693 2HD ARG 100 2HD ARG 100 6.334 -0.228 7.977 694 HE ARG 100 HE ARG 100 7.443 2.447 7.421 695 1HH1 ARG 100 1HH1 ARG 100 7.879 -0.861 8.510 696 2HH1 ARG 100 2HH1 ARG 100 9.540 -0.621 8.921 697 1HH2 ARG 100 1HH2 ARG 100 9.620 2.734 7.966 698 2HH2 ARG 100 2HH2 ARG 100 10.526 1.409 8.615 699 H VAL 101 H VAL 101 6.859 -3.176 4.120 700 HA VAL 101 HA VAL 101 4.479 -4.813 3.542 701 HB VAL 101 HB VAL 101 7.244 -5.453 2.527 702 1HG1 VAL 101 1HG1 VAL 101 5.543 -7.274 2.806 703 2HG1 VAL 101 2HG1 VAL 101 4.581 -6.461 1.572 704 3HG1 VAL 101 3HG1 VAL 101 6.184 -7.078 1.175 705 1HG2 VAL 101 1HG2 VAL 101 5.754 -3.323 1.637 706 2HG2 VAL 101 2HG2 VAL 101 7.007 -4.160 0.722 707 3HG2 VAL 101 3HG2 VAL 101 5.315 -4.613 0.517 708 HA PRO 102 HA PRO 102 5.900 -6.116 7.707 709 1HB PRO 102 1HB PRO 102 3.626 -7.928 6.985 710 2HB PRO 102 2HB PRO 102 4.019 -7.183 8.542 711 1HG PRO 102 1HG PRO 102 2.138 -6.131 7.026 712 2HG PRO 102 2HG PRO 102 3.296 -5.090 7.872 713 1HD PRO 102 1HD PRO 102 3.129 -5.771 4.976 714 2HD PRO 102 2HD PRO 102 3.702 -4.283 5.755 715 H LEU 103 H LEU 103 5.912 -8.473 8.581 716 HA LEU 103 HA LEU 103 6.745 -10.492 6.713 717 1HB LEU 103 1HB LEU 103 9.001 -10.560 7.140 718 2HB LEU 103 2HB LEU 103 8.696 -8.836 7.167 719 HG LEU 103 HG LEU 103 10.151 -9.297 8.971 720 1HD1 LEU 103 1HD1 LEU 103 7.321 -8.805 9.771 721 2HD1 LEU 103 2HD1 LEU 103 8.589 -8.916 10.991 722 3HD1 LEU 103 3HD1 LEU 103 8.686 -7.691 9.726 723 1HD2 LEU 103 1HD2 LEU 103 9.124 -11.808 8.973 724 2HD2 LEU 103 2HD2 LEU 103 10.170 -11.148 10.231 725 3HD2 LEU 103 3HD2 LEU 103 8.420 -11.141 10.446 726 HA PRO 104 HA PRO 104 5.454 -13.503 9.632 727 1HB PRO 104 1HB PRO 104 7.966 -14.780 10.062 728 2HB PRO 104 2HB PRO 104 6.670 -15.292 8.978 729 1HG PRO 104 1HG PRO 104 9.145 -13.773 8.384 730 2HG PRO 104 2HG PRO 104 8.207 -14.853 7.338 731 1HD PRO 104 1HD PRO 104 8.164 -12.197 7.003 732 2HD PRO 104 2HD PRO 104 6.706 -13.181 6.754 733 H ALA 105 H ALA 105 5.115 -11.911 11.296 734 HA ALA 105 HA ALA 105 6.973 -12.246 13.525 735 1HB ALA 105 1HB ALA 105 6.255 -9.631 12.264 736 2HB ALA 105 2HB ALA 105 6.607 -9.716 13.989 737 3HB ALA 105 3HB ALA 105 7.825 -10.216 12.815 Start of MODEL 13 1 2H PRO 1 2H PRO 1 4.061 14.928 -5.079 2 1H PRO 1 1H PRO 1 4.857 13.499 -5.288 3 HA PRO 1 HA PRO 1 4.613 14.986 -3.082 4 1HB PRO 1 1HB PRO 1 3.589 12.306 -2.368 5 2HB PRO 1 2HB PRO 1 3.225 13.867 -1.668 6 1HG PRO 1 1HG PRO 1 1.445 12.779 -3.161 7 2HG PRO 1 2HG PRO 1 1.830 14.488 -3.417 8 1HD PRO 1 1HD PRO 1 2.938 12.107 -4.909 9 2HD PRO 1 2HD PRO 1 2.102 13.512 -5.582 10 H ARG 2 H ARG 2 5.291 13.205 -1.203 11 HA ARG 2 HA ARG 2 7.741 11.911 -2.270 12 1HB ARG 2 1HB ARG 2 8.317 13.831 -0.880 13 2HB ARG 2 2HB ARG 2 7.261 13.262 0.402 14 1HG ARG 2 1HG ARG 2 8.940 12.141 1.300 15 2HG ARG 2 2HG ARG 2 9.133 11.207 -0.182 16 1HD ARG 2 1HD ARG 2 11.048 12.241 -0.609 17 2HD ARG 2 2HD ARG 2 10.218 13.796 -0.613 18 HE ARG 2 HE ARG 2 11.303 14.222 1.335 19 1HH1 ARG 2 1HH1 ARG 2 10.744 10.791 1.141 20 2HH1 ARG 2 2HH1 ARG 2 11.488 10.452 2.668 21 1HH2 ARG 2 1HH2 ARG 2 12.288 13.787 3.345 22 2HH2 ARG 2 2HH2 ARG 2 12.366 12.155 3.922 23 H VAL 3 H VAL 3 8.358 9.827 -1.049 24 HA VAL 3 HA VAL 3 6.214 8.824 0.612 25 HB VAL 3 HB VAL 3 6.502 8.177 -2.221 26 1HG1 VAL 3 1HG1 VAL 3 7.352 6.109 -0.970 27 2HG1 VAL 3 2HG1 VAL 3 5.663 5.915 -0.503 28 3HG1 VAL 3 3HG1 VAL 3 6.109 5.967 -2.219 29 1HG2 VAL 3 1HG2 VAL 3 4.355 7.824 -0.184 30 2HG2 VAL 3 2HG2 VAL 3 4.504 9.136 -1.365 31 3HG2 VAL 3 3HG2 VAL 3 4.191 7.483 -1.907 32 H VAL 4 H VAL 4 6.631 6.484 1.208 33 HA VAL 4 HA VAL 4 9.383 5.685 1.093 34 HB VAL 4 HB VAL 4 8.244 6.725 3.656 35 1HG1 VAL 4 1HG1 VAL 4 9.837 4.305 3.307 36 2HG1 VAL 4 2HG1 VAL 4 10.610 5.493 4.360 37 3HG1 VAL 4 3HG1 VAL 4 8.990 4.903 4.738 38 1HG2 VAL 4 1HG2 VAL 4 10.620 7.153 1.937 39 2HG2 VAL 4 2HG2 VAL 4 9.609 8.331 2.780 40 3HG2 VAL 4 3HG2 VAL 4 10.805 7.393 3.676 41 H PHE 5 H PHE 5 9.205 3.740 0.542 42 HA PHE 5 HA PHE 5 7.017 2.023 1.462 43 1HB PHE 5 1HB PHE 5 9.194 1.794 -0.592 44 2HB PHE 5 2HB PHE 5 8.222 0.411 -0.135 45 HD1 PHE 5 HD1 PHE 5 6.785 3.848 -0.458 46 HD2 PHE 5 HD2 PHE 5 7.390 0.032 -2.251 47 HE1 PHE 5 HE1 PHE 5 5.220 4.421 -2.244 48 HE2 PHE 5 HE2 PHE 5 5.812 0.581 -3.995 49 HZ PHE 5 HZ PHE 5 4.695 2.773 -4.009 50 H ILE 6 H ILE 6 7.796 -0.322 1.873 51 HA ILE 6 HA ILE 6 10.332 -0.581 3.202 52 HB ILE 6 HB ILE 6 7.907 -1.402 4.726 53 1HG1 ILE 6 1HG1 ILE 6 7.839 1.083 4.092 54 2HG1 ILE 6 2HG1 ILE 6 7.730 0.699 5.806 55 1HG2 ILE 6 1HG2 ILE 6 10.761 -1.301 5.041 56 2HG2 ILE 6 2HG2 ILE 6 9.924 -0.540 6.393 57 3HG2 ILE 6 3HG2 ILE 6 9.558 -2.208 5.954 58 1HD1 ILE 6 1HD1 ILE 6 10.395 1.232 4.636 59 2HD1 ILE 6 2HD1 ILE 6 9.303 2.589 4.903 60 3HD1 ILE 6 3HD1 ILE 6 9.784 1.565 6.257 61 H ASP 7 H ASP 7 10.842 -2.816 3.702 62 HA ASP 7 HA ASP 7 9.102 -4.952 3.092 63 1HB ASP 7 1HB ASP 7 9.891 -3.847 0.798 64 2HB ASP 7 2HB ASP 7 11.277 -4.899 1.072 65 H GLU 8 H GLU 8 10.275 -7.056 3.054 66 HA GLU 8 HA GLU 8 12.229 -7.073 5.153 67 1HB GLU 8 1HB GLU 8 10.267 -8.757 4.562 68 2HB GLU 8 2HB GLU 8 11.545 -9.546 3.647 69 1HG GLU 8 1HG GLU 8 12.340 -8.811 6.350 70 2HG GLU 8 2HG GLU 8 10.984 -9.934 6.288 71 H GLN 9 H GLN 9 12.482 -6.759 1.832 72 HA GLN 9 HA GLN 9 14.958 -8.269 1.598 73 1HB GLN 9 1HB GLN 9 13.886 -6.454 -0.532 74 2HB GLN 9 2HB GLN 9 14.830 -7.923 -0.707 75 1HG GLN 9 1HG GLN 9 12.265 -8.379 0.578 76 2HG GLN 9 2HG GLN 9 12.116 -7.690 -1.038 77 1HE2 GLN 9 2HE2 GLN 9 12.161 -10.495 0.582 78 2HE2 GLN 9 1HE2 GLN 9 12.768 -11.553 -0.643 79 H SER 10 H SER 10 13.861 -4.968 1.895 80 HA SER 10 HA SER 10 16.669 -4.121 2.119 81 1HB SER 10 1HB SER 10 15.279 -3.418 -0.029 82 2HB SER 10 2HB SER 10 14.655 -2.183 1.066 83 HG SER 10 HG SER 10 17.340 -2.400 1.277 84 H GLY 11 H GLY 11 13.765 -4.463 3.658 85 1HA GLY 11 1HA GLY 11 12.875 -3.611 5.596 86 2HA GLY 11 2HA GLY 11 14.525 -3.176 5.996 87 H GLU 12 H GLU 12 13.303 -1.823 3.140 88 HA GLU 12 HA GLU 12 11.818 0.335 3.857 89 1HB GLU 12 1HB GLU 12 13.303 1.247 5.385 90 2HB GLU 12 2HB GLU 12 14.718 0.774 4.453 91 1HG GLU 12 1HG GLU 12 14.214 2.482 2.794 92 2HG GLU 12 2HG GLU 12 12.772 2.943 3.694 93 H TYR 13 H TYR 13 11.416 1.681 2.184 94 HA TYR 13 HA TYR 13 13.128 1.590 -0.159 95 1HB TYR 13 1HB TYR 13 10.330 0.540 -0.017 96 2HB TYR 13 2HB TYR 13 11.037 1.066 -1.543 97 HD1 TYR 13 HD1 TYR 13 11.453 -1.258 1.298 98 HD2 TYR 13 HD2 TYR 13 12.499 -0.329 -2.711 99 HE1 TYR 13 HE1 TYR 13 12.527 -3.471 1.081 100 HE2 TYR 13 HE2 TYR 13 13.558 -2.518 -2.966 101 HH TYR 13 HH TYR 13 13.063 -5.016 -1.318 102 H ALA 14 H ALA 14 13.175 3.780 1.069 103 HA ALA 14 HA ALA 14 11.118 5.624 0.993 104 1HB ALA 14 1HB ALA 14 14.094 5.933 0.846 105 2HB ALA 14 2HB ALA 14 13.024 7.334 0.783 106 3HB ALA 14 3HB ALA 14 13.005 6.273 2.193 107 H VAL 15 H VAL 15 10.153 6.814 -0.501 108 HA VAL 15 HA VAL 15 11.358 7.288 -3.076 109 HB VAL 15 HB VAL 15 10.308 4.983 -3.109 110 1HG1 VAL 15 1HG1 VAL 15 7.790 6.613 -3.007 111 2HG1 VAL 15 2HG1 VAL 15 7.869 5.019 -3.784 112 3HG1 VAL 15 3HG1 VAL 15 8.238 5.180 -2.073 113 1HG2 VAL 15 1HG2 VAL 15 10.372 7.064 -5.062 114 2HG2 VAL 15 2HG2 VAL 15 10.623 5.338 -5.273 115 3HG2 VAL 15 3HG2 VAL 15 8.990 5.998 -5.348 116 H ASP 16 H ASP 16 8.935 7.788 -4.359 117 HA ASP 16 HA ASP 16 7.491 9.761 -2.892 118 1HB ASP 16 1HB ASP 16 8.773 10.622 -5.418 119 2HB ASP 16 2HB ASP 16 8.134 11.613 -4.117 120 H ALA 17 H ALA 17 5.794 10.623 -4.241 121 HA ALA 17 HA ALA 17 5.223 8.993 -6.594 122 1HB ALA 17 1HB ALA 17 4.305 8.344 -4.174 123 2HB ALA 17 2HB ALA 17 3.012 9.453 -4.731 124 3HB ALA 17 3HB ALA 17 3.431 8.012 -5.687 125 H GLN 18 H GLN 18 2.923 9.782 -7.408 126 HA GLN 18 HA GLN 18 2.801 12.716 -7.305 127 1HB GLN 18 1HB GLN 18 2.483 11.176 -9.881 128 2HB GLN 18 2HB GLN 18 2.632 12.915 -9.674 129 1HG GLN 18 1HG GLN 18 4.939 12.688 -9.027 130 2HG GLN 18 2HG GLN 18 4.812 10.931 -9.073 131 1HE2 GLN 18 2HE2 GLN 18 6.463 12.950 -10.570 132 2HE2 GLN 18 1HE2 GLN 18 6.240 12.540 -12.233 133 H ASP 19 H ASP 19 0.782 13.396 -6.883 134 HA ASP 19 HA ASP 19 -1.289 11.850 -6.186 135 1HB ASP 19 1HB ASP 19 -2.280 14.146 -7.695 136 2HB ASP 19 2HB ASP 19 -2.542 13.711 -6.026 137 H GLY 20 H GLY 20 -2.230 10.244 -7.056 138 1HA GLY 20 1HA GLY 20 -3.884 9.617 -8.804 139 2HA GLY 20 2HA GLY 20 -2.741 10.291 -9.961 140 H GLN 21 H GLN 21 -0.849 8.929 -7.652 141 HA GLN 21 HA GLN 21 -0.816 6.326 -9.048 142 1HB GLN 21 1HB GLN 21 1.499 7.848 -7.837 143 2HB GLN 21 2HB GLN 21 1.608 6.248 -8.555 144 1HG GLN 21 1HG GLN 21 1.397 7.045 -10.696 145 2HG GLN 21 2HG GLN 21 0.544 8.496 -10.181 146 1HE2 GLN 21 2HE2 GLN 21 3.273 7.745 -8.314 147 2HE2 GLN 21 1HE2 GLN 21 4.351 8.894 -9.002 148 H SER 22 H SER 22 -0.282 4.484 -7.785 149 HA SER 22 HA SER 22 -1.046 4.840 -4.990 150 1HB SER 22 1HB SER 22 -1.582 2.473 -4.981 151 2HB SER 22 2HB SER 22 -2.332 3.224 -6.389 152 HG SER 22 HG SER 22 -1.360 1.611 -7.362 153 H LEU 23 H LEU 23 -0.047 2.779 -3.683 154 HA LEU 23 HA LEU 23 2.815 3.372 -3.636 155 1HB LEU 23 1HB LEU 23 1.071 1.766 -1.764 156 2HB LEU 23 2HB LEU 23 2.788 2.036 -1.535 157 HG LEU 23 HG LEU 23 1.999 3.686 -0.188 158 1HD1 LEU 23 1HD1 LEU 23 1.924 4.952 -2.919 159 2HD1 LEU 23 2HD1 LEU 23 1.889 5.858 -1.406 160 3HD1 LEU 23 3HD1 LEU 23 3.293 4.871 -1.810 161 1HD2 LEU 23 1HD2 LEU 23 -0.396 3.003 -0.851 162 2HD2 LEU 23 2HD2 LEU 23 -0.124 4.632 -0.231 163 3HD2 LEU 23 3HD2 LEU 23 -0.314 4.368 -1.964 164 H MET 24 H MET 24 1.086 1.383 -5.424 165 HA MET 24 HA MET 24 2.800 -0.968 -5.106 166 1HB MET 24 1HB MET 24 0.817 -1.976 -5.478 167 2HB MET 24 2HB MET 24 0.088 -0.498 -6.083 168 1HG MET 24 1HG MET 24 0.010 -2.212 -7.771 169 2HG MET 24 2HG MET 24 1.090 -0.917 -8.282 170 1HE MET 24 1HE MET 24 3.060 -1.362 -9.443 171 2HE MET 24 2HE MET 24 3.822 -2.940 -9.644 172 3HE MET 24 3HE MET 24 2.167 -2.683 -10.197 173 H GLU 25 H GLU 25 2.008 1.653 -7.257 174 HA GLU 25 HA GLU 25 3.736 0.681 -9.360 175 1HB GLU 25 1HB GLU 25 2.607 3.457 -9.272 176 2HB GLU 25 2HB GLU 25 2.952 2.449 -10.671 177 1HG GLU 25 1HG GLU 25 1.074 0.933 -9.653 178 2HG GLU 25 2HG GLU 25 0.600 2.430 -8.851 179 H VAL 26 H VAL 26 3.882 3.195 -6.838 180 HA VAL 26 HA VAL 26 6.174 4.455 -7.738 181 HB VAL 26 HB VAL 26 6.379 3.824 -4.877 182 1HG1 VAL 26 1HG1 VAL 26 7.599 5.500 -6.279 183 2HG1 VAL 26 2HG1 VAL 26 6.111 6.429 -6.320 184 3HG1 VAL 26 3HG1 VAL 26 6.907 6.114 -4.786 185 1HG2 VAL 26 1HG2 VAL 26 3.905 3.890 -5.209 186 2HG2 VAL 26 2HG2 VAL 26 4.598 5.084 -4.111 187 3HG2 VAL 26 3HG2 VAL 26 4.117 5.564 -5.739 188 H ALA 27 H ALA 27 5.883 1.720 -5.599 189 HA ALA 27 HA ALA 27 8.237 0.792 -5.034 190 1HB ALA 27 1HB ALA 27 5.772 -0.469 -5.528 191 2HB ALA 27 2HB ALA 27 7.016 -1.451 -6.303 192 3HB ALA 27 3HB ALA 27 7.129 -1.079 -4.579 193 H THR 28 H THR 28 6.918 -0.543 -8.010 194 HA THR 28 HA THR 28 9.249 -1.509 -9.051 195 HB THR 28 HB THR 28 8.067 -1.981 -10.916 196 HG1 THR 28 HG1 THR 28 7.244 0.719 -10.896 197 1HG2 THR 28 1HG2 THR 28 6.370 -2.084 -8.969 198 2HG2 THR 28 2HG2 THR 28 5.641 -0.696 -9.775 199 3HG2 THR 28 3HG2 THR 28 5.808 -2.227 -10.635 200 H GLN 29 H GLN 29 8.102 1.768 -8.986 201 HA GLN 29 HA GLN 29 10.106 2.737 -10.819 202 1HB GLN 29 1HB GLN 29 8.397 4.311 -8.890 203 2HB GLN 29 2HB GLN 29 9.318 4.965 -10.235 204 1HG GLN 29 1HG GLN 29 7.753 3.090 -11.462 205 2HG GLN 29 2HG GLN 29 6.692 3.706 -10.196 206 1HE2 GLN 29 2HE2 GLN 29 5.385 4.569 -11.889 207 2HE2 GLN 29 1HE2 GLN 29 5.820 6.054 -12.656 208 H ASN 30 H ASN 30 9.778 2.330 -7.388 209 HA ASN 30 HA ASN 30 12.200 3.816 -6.790 210 1HB ASN 30 1HB ASN 30 11.057 2.157 -4.659 211 2HB ASN 30 2HB ASN 30 11.428 3.863 -4.653 212 1HD2 ASN 30 2HD2 ASN 30 9.030 2.323 -3.753 213 2HD2 ASN 30 1HD2 ASN 30 7.712 3.025 -4.552 214 H GLY 31 H GLY 31 11.745 0.915 -8.131 215 1HA GLY 31 1HA GLY 31 13.260 -0.825 -8.449 216 2HA GLY 31 2HA GLY 31 14.293 -0.107 -7.218 217 H VAL 32 H VAL 32 11.362 -0.154 -5.875 218 HA VAL 32 HA VAL 32 11.814 -1.959 -3.881 219 HB VAL 32 HB VAL 32 9.108 -1.347 -4.998 220 1HG1 VAL 32 1HG1 VAL 32 9.304 -2.919 -3.045 221 2HG1 VAL 32 2HG1 VAL 32 9.873 -1.523 -2.118 222 3HG1 VAL 32 3HG1 VAL 32 8.254 -1.510 -2.836 223 1HG2 VAL 32 1HG2 VAL 32 11.001 0.407 -3.521 224 2HG2 VAL 32 2HG2 VAL 32 10.035 0.761 -4.957 225 3HG2 VAL 32 3HG2 VAL 32 9.254 0.630 -3.379 226 HA PRO 33 HA PRO 33 11.595 -6.160 -5.039 227 1HB PRO 33 1HB PRO 33 9.193 -6.420 -3.368 228 2HB PRO 33 2HB PRO 33 10.764 -7.204 -3.195 229 1HG PRO 33 1HG PRO 33 9.765 -4.869 -1.818 230 2HG PRO 33 2HG PRO 33 11.295 -5.712 -1.567 231 1HD PRO 33 1HD PRO 33 11.074 -3.188 -2.591 232 2HD PRO 33 2HD PRO 33 12.438 -4.264 -2.898 233 H GLY 34 H GLY 34 8.731 -4.169 -5.119 234 1HA GLY 34 1HA GLY 34 6.917 -4.122 -6.530 235 2HA GLY 34 2HA GLY 34 8.009 -4.808 -7.726 236 H ILE 35 H ILE 35 7.381 -6.466 -4.767 237 HA ILE 35 HA ILE 35 6.440 -8.783 -6.149 238 HB ILE 35 HB ILE 35 6.512 -8.156 -3.194 239 1HG1 ILE 35 1HG1 ILE 35 8.720 -8.260 -4.293 240 2HG1 ILE 35 2HG1 ILE 35 8.488 -9.595 -3.169 241 1HG2 ILE 35 1HG2 ILE 35 5.397 -10.415 -4.687 242 2HG2 ILE 35 2HG2 ILE 35 6.505 -10.872 -3.392 243 3HG2 ILE 35 3HG2 ILE 35 5.091 -9.881 -3.034 244 1HD1 ILE 35 1HD1 ILE 35 7.683 -10.840 -5.338 245 2HD1 ILE 35 2HD1 ILE 35 8.668 -9.613 -6.132 246 3HD1 ILE 35 3HD1 ILE 35 9.396 -10.694 -4.943 247 H VAL 36 H VAL 36 4.704 -7.089 -7.058 248 HA VAL 36 HA VAL 36 2.191 -7.943 -5.916 249 HB VAL 36 HB VAL 36 1.675 -5.230 -6.269 250 1HG1 VAL 36 1HG1 VAL 36 1.612 -7.212 -4.160 251 2HG1 VAL 36 2HG1 VAL 36 1.927 -5.593 -3.535 252 3HG1 VAL 36 3HG1 VAL 36 0.489 -5.899 -4.509 253 1HG2 VAL 36 1HG2 VAL 36 4.290 -5.131 -6.062 254 2HG2 VAL 36 2HG2 VAL 36 3.276 -3.952 -5.230 255 3HG2 VAL 36 3HG2 VAL 36 3.948 -5.320 -4.342 256 H ALA 37 H ALA 37 0.468 -6.265 -7.240 257 HA ALA 37 HA ALA 37 -0.491 -5.825 -9.260 258 1HB ALA 37 1HB ALA 37 1.705 -4.657 -9.670 259 2HB ALA 37 2HB ALA 37 2.235 -6.118 -10.503 260 3HB ALA 37 3HB ALA 37 0.853 -5.208 -11.113 261 H GLU 38 H GLU 38 -1.188 -8.142 -8.615 262 HA GLU 38 HA GLU 38 -0.201 -10.196 -10.419 263 1HB GLU 38 1HB GLU 38 -0.647 -10.854 -8.134 264 2HB GLU 38 2HB GLU 38 -2.298 -10.258 -8.244 265 1HG GLU 38 1HG GLU 38 -1.954 -12.762 -8.417 266 2HG GLU 38 2HG GLU 38 -2.956 -12.002 -9.654 267 H CYS 39 H CYS 39 -2.700 -7.875 -10.307 268 HA CYS 39 HA CYS 39 -4.085 -9.238 -12.524 269 1HB CYS 39 1HB CYS 39 -6.159 -8.275 -11.831 270 2HB CYS 39 2HB CYS 39 -5.431 -9.016 -10.411 271 H GLY 40 H GLY 40 -2.729 -6.263 -11.299 272 1HA GLY 40 1HA GLY 40 -1.763 -4.643 -12.750 273 2HA GLY 40 2HA GLY 40 -2.865 -5.164 -14.016 274 H GLY 41 H GLY 41 -3.135 -3.876 -10.696 275 1HA GLY 41 1HA GLY 41 -4.705 -2.412 -9.824 276 2HA GLY 41 2HA GLY 41 -4.119 -1.406 -11.140 277 H SER 42 H SER 42 -6.191 -4.307 -10.998 278 HA SER 42 HA SER 42 -8.217 -2.788 -12.507 279 1HB SER 42 1HB SER 42 -6.898 -5.049 -13.365 280 2HB SER 42 2HB SER 42 -8.393 -5.709 -12.704 281 HG SER 42 HG SER 42 -8.881 -3.499 -14.179 282 H CYS 43 H CYS 43 -7.545 -4.046 -9.553 283 HA CYS 43 HA CYS 43 -8.776 -4.559 -7.714 284 1HB CYS 43 1HB CYS 43 -10.107 -2.512 -8.958 285 2HB CYS 43 2HB CYS 43 -11.370 -3.729 -8.813 286 HG CYS 43 HG CYS 43 -10.667 -1.952 -6.648 287 H VAL 44 H VAL 44 -8.319 -6.715 -9.180 288 HA VAL 44 HA VAL 44 -10.853 -8.199 -9.030 289 HB VAL 44 HB VAL 44 -10.107 -7.675 -11.417 290 1HG1 VAL 44 1HG1 VAL 44 -7.672 -8.299 -10.737 291 2HG1 VAL 44 2HG1 VAL 44 -8.194 -9.945 -11.094 292 3HG1 VAL 44 3HG1 VAL 44 -8.267 -8.705 -12.347 293 1HG2 VAL 44 1HG2 VAL 44 -11.722 -9.459 -10.735 294 2HG2 VAL 44 2HG2 VAL 44 -10.850 -9.796 -12.230 295 3HG2 VAL 44 3HG2 VAL 44 -10.376 -10.598 -10.733 296 H CYS 45 H CYS 45 -7.833 -7.861 -7.805 297 HA CYS 45 HA CYS 45 -7.789 -10.657 -6.932 298 1HB CYS 45 1HB CYS 45 -5.612 -11.064 -7.523 299 2HB CYS 45 2HB CYS 45 -6.072 -9.983 -8.831 300 H ALA 46 H ALA 46 -6.160 -10.929 -5.082 301 HA ALA 46 HA ALA 46 -6.135 -8.535 -3.373 302 1HB ALA 46 1HB ALA 46 -7.668 -10.903 -2.965 303 2HB ALA 46 2HB ALA 46 -6.441 -10.795 -1.703 304 3HB ALA 46 3HB ALA 46 -7.567 -9.461 -1.953 305 H THR 47 H THR 47 -4.238 -10.501 -4.991 306 HA THR 47 HA THR 47 -2.418 -11.512 -3.065 307 HB THR 47 HB THR 47 -2.130 -10.929 -6.013 308 HG1 THR 47 HG1 THR 47 -3.416 -12.651 -5.776 309 1HG2 THR 47 1HG2 THR 47 0.084 -10.887 -4.885 310 2HG2 THR 47 2HG2 THR 47 -0.222 -12.534 -4.335 311 3HG2 THR 47 3HG2 THR 47 -0.111 -12.185 -6.061 312 H CYS 48 H CYS 48 -3.053 -8.384 -4.145 313 HA CYS 48 HA CYS 48 -0.364 -7.373 -3.733 314 1HB CYS 48 1HB CYS 48 -1.456 -5.149 -4.181 315 2HB CYS 48 2HB CYS 48 -1.604 -6.318 -5.488 316 H ARG 49 H ARG 49 -1.274 -8.634 -1.469 317 HA ARG 49 HA ARG 49 -2.571 -6.962 0.385 318 1HB ARG 49 1HB ARG 49 -1.310 -9.546 0.391 319 2HB ARG 49 2HB ARG 49 -0.823 -8.644 1.818 320 1HG ARG 49 1HG ARG 49 -3.701 -8.617 1.153 321 2HG ARG 49 2HG ARG 49 -3.024 -10.143 1.723 322 1HD ARG 49 1HD ARG 49 -2.064 -7.974 3.340 323 2HD ARG 49 2HD ARG 49 -3.825 -7.931 3.259 324 HE ARG 49 HE ARG 49 -2.181 -9.961 4.508 325 1HH1 ARG 49 1HH1 ARG 49 -5.331 -9.073 3.315 326 2HH1 ARG 49 2HH1 ARG 49 -6.168 -10.253 4.268 327 1HH2 ARG 49 1HH2 ARG 49 -3.272 -11.517 5.768 328 2HH2 ARG 49 2HH2 ARG 49 -4.996 -11.642 5.665 329 H ILE 50 H ILE 50 -1.495 -4.921 -0.048 330 HA ILE 50 HA ILE 50 1.211 -4.677 1.049 331 HB ILE 50 HB ILE 50 -0.415 -2.496 -0.250 332 1HG1 ILE 50 1HG1 ILE 50 1.324 -4.628 -1.464 333 2HG1 ILE 50 2HG1 ILE 50 -0.278 -4.095 -1.966 334 1HG2 ILE 50 1HG2 ILE 50 2.490 -2.840 0.434 335 2HG2 ILE 50 2HG2 ILE 50 1.927 -1.627 -0.716 336 3HG2 ILE 50 3HG2 ILE 50 1.382 -1.574 0.959 337 1HD1 ILE 50 1HD1 ILE 50 0.879 -1.866 -2.520 338 2HD1 ILE 50 2HD1 ILE 50 2.372 -2.799 -2.435 339 3HD1 ILE 50 3HD1 ILE 50 1.122 -3.241 -3.597 340 H GLU 51 H GLU 51 1.597 -2.701 2.470 341 HA GLU 51 HA GLU 51 -0.762 -2.046 4.076 342 1HB GLU 51 1HB GLU 51 1.606 -3.586 4.970 343 2HB GLU 51 2HB GLU 51 0.973 -2.384 6.085 344 1HG GLU 51 1HG GLU 51 -1.313 -3.539 5.555 345 2HG GLU 51 2HG GLU 51 -0.280 -4.888 5.083 346 H ILE 52 H ILE 52 -0.892 0.054 4.327 347 HA ILE 52 HA ILE 52 1.254 1.873 3.816 348 HB ILE 52 HB ILE 52 -1.423 2.301 5.176 349 1HG1 ILE 52 1HG1 ILE 52 -1.311 1.461 2.739 350 2HG1 ILE 52 2HG1 ILE 52 -2.320 2.861 3.093 351 1HG2 ILE 52 1HG2 ILE 52 0.807 4.061 4.879 352 2HG2 ILE 52 2HG2 ILE 52 -0.541 4.664 3.920 353 3HG2 ILE 52 3HG2 ILE 52 -0.757 4.362 5.641 354 1HD1 ILE 52 1HD1 ILE 52 0.506 3.149 2.163 355 2HD1 ILE 52 2HD1 ILE 52 -0.842 2.964 1.036 356 3HD1 ILE 52 3HD1 ILE 52 -0.804 4.339 2.141 357 H GLU 53 H GLU 53 2.435 3.174 5.459 358 HA GLU 53 HA GLU 53 3.051 1.663 7.770 359 1HB GLU 53 1HB GLU 53 4.217 3.570 8.616 360 2HB GLU 53 2HB GLU 53 4.402 3.593 6.865 361 1HG GLU 53 1HG GLU 53 2.710 5.294 8.600 362 2HG GLU 53 2HG GLU 53 3.900 5.776 7.426 363 H ASP 54 H ASP 54 2.672 2.863 10.124 364 HA ASP 54 HA ASP 54 -0.239 2.863 10.344 365 1HB ASP 54 1HB ASP 54 1.730 2.882 12.633 366 2HB ASP 54 2HB ASP 54 0.033 2.415 12.679 367 H ALA 55 H ALA 55 1.325 5.143 9.365 368 HA ALA 55 HA ALA 55 0.488 7.190 11.307 369 1HB ALA 55 1HB ALA 55 2.943 6.824 9.894 370 2HB ALA 55 2HB ALA 55 2.188 8.321 9.344 371 3HB ALA 55 3HB ALA 55 2.521 8.076 11.062 372 H TRP 56 H TRP 56 0.430 6.061 8.043 373 HA TRP 56 HA TRP 56 -1.185 8.339 7.209 374 1HB TRP 56 1HB TRP 56 0.272 6.278 5.606 375 2HB TRP 56 2HB TRP 56 -0.552 7.677 4.960 376 HD1 TRP 56 HD1 TRP 56 2.165 7.012 7.614 377 HE1 TRP 56 HE1 TRP 56 3.915 8.835 7.447 378 HE3 TRP 56 HE3 TRP 56 -0.012 9.833 3.884 379 HZ2 TRP 56 HZ2 TRP 56 4.352 11.151 5.991 380 HZ3 TRP 56 HZ3 TRP 56 1.231 11.850 3.176 381 HH2 TRP 56 HH2 TRP 56 3.341 12.474 4.207 382 H VAL 57 H VAL 57 -1.883 5.341 8.307 383 HA VAL 57 HA VAL 57 -3.585 4.418 6.262 384 HB VAL 57 HB VAL 57 -3.904 4.026 9.236 385 1HG1 VAL 57 1HG1 VAL 57 -5.007 2.723 6.791 386 2HG1 VAL 57 2HG1 VAL 57 -4.953 1.879 8.341 387 3HG1 VAL 57 3HG1 VAL 57 -5.867 3.382 8.177 388 1HG2 VAL 57 1HG2 VAL 57 -1.681 3.523 8.009 389 2HG2 VAL 57 2HG2 VAL 57 -2.351 2.341 9.137 390 3HG2 VAL 57 3HG2 VAL 57 -2.557 2.120 7.397 391 H GLU 58 H GLU 58 -3.895 6.576 8.984 392 HA GLU 58 HA GLU 58 -6.699 7.075 8.544 393 1HB GLU 58 1HB GLU 58 -4.725 8.630 10.237 394 2HB GLU 58 2HB GLU 58 -6.477 8.765 10.299 395 1HG GLU 58 1HG GLU 58 -5.481 6.051 10.718 396 2HG GLU 58 2HG GLU 58 -4.953 7.213 11.934 397 H ILE 59 H ILE 59 -3.903 7.868 7.013 398 HA ILE 59 HA ILE 59 -4.809 10.524 6.104 399 HB ILE 59 HB ILE 59 -2.196 9.068 5.929 400 1HG1 ILE 59 1HG1 ILE 59 -2.435 11.968 6.421 401 2HG1 ILE 59 2HG1 ILE 59 -3.070 10.905 7.670 402 1HG2 ILE 59 1HG2 ILE 59 -3.191 11.166 4.050 403 2HG2 ILE 59 2HG2 ILE 59 -1.479 11.081 4.463 404 3HG2 ILE 59 3HG2 ILE 59 -2.274 9.700 3.706 405 1HD1 ILE 59 1HD1 ILE 59 -0.428 10.167 6.690 406 2HD1 ILE 59 2HD1 ILE 59 -0.503 11.746 7.475 407 3HD1 ILE 59 3HD1 ILE 59 -1.038 10.305 8.338 408 H VAL 60 H VAL 60 -3.971 7.313 5.110 409 HA VAL 60 HA VAL 60 -4.727 7.767 2.350 410 HB VAL 60 HB VAL 60 -3.649 5.311 3.744 411 1HG1 VAL 60 1HG1 VAL 60 -5.009 5.244 1.444 412 2HG1 VAL 60 2HG1 VAL 60 -3.407 5.635 0.818 413 3HG1 VAL 60 3HG1 VAL 60 -3.643 4.183 1.787 414 1HG2 VAL 60 1HG2 VAL 60 -2.331 7.723 3.045 415 2HG2 VAL 60 2HG2 VAL 60 -1.617 6.205 3.597 416 3HG2 VAL 60 3HG2 VAL 60 -1.827 6.497 1.875 417 H GLY 61 H GLY 61 -5.335 4.837 4.234 418 1HA GLY 61 1HA GLY 61 -7.272 3.477 3.908 419 2HA GLY 61 2HA GLY 61 -7.725 4.646 5.134 420 H GLU 62 H GLU 62 -7.403 4.860 1.588 421 HA GLU 62 HA GLU 62 -9.798 6.424 1.416 422 1HB GLU 62 1HB GLU 62 -8.030 5.230 -0.711 423 2HB GLU 62 2HB GLU 62 -9.375 6.315 -1.038 424 1HG GLU 62 1HG GLU 62 -7.906 7.696 0.829 425 2HG GLU 62 2HG GLU 62 -6.674 6.903 -0.149 426 H ALA 63 H ALA 63 -9.089 3.101 1.310 427 HA ALA 63 HA ALA 63 -10.894 2.026 -0.436 428 1HB ALA 63 1HB ALA 63 -10.033 1.040 2.243 429 2HB ALA 63 2HB ALA 63 -11.159 0.127 1.235 430 3HB ALA 63 3HB ALA 63 -9.526 0.485 0.649 431 H ASN 64 H ASN 64 -12.984 1.145 -0.207 432 HA ASN 64 HA ASN 64 -14.763 2.742 1.404 433 1HB ASN 64 1HB ASN 64 -16.362 1.022 -0.013 434 2HB ASN 64 2HB ASN 64 -15.889 2.618 -0.575 435 1HD2 ASN 64 2HD2 ASN 64 -16.624 1.009 -2.460 436 2HD2 ASN 64 1HD2 ASN 64 -15.293 0.356 -3.348 437 HA PRO 65 HA PRO 65 -15.726 -0.348 4.383 438 1HB PRO 65 1HB PRO 65 -18.425 -0.807 4.014 439 2HB PRO 65 2HB PRO 65 -17.751 0.563 4.903 440 1HG PRO 65 1HG PRO 65 -18.731 0.433 2.079 441 2HG PRO 65 2HG PRO 65 -18.950 1.716 3.283 442 1HD PRO 65 1HD PRO 65 -17.121 1.938 1.321 443 2HD PRO 65 2HD PRO 65 -16.807 2.562 2.949 444 H ASP 66 H ASP 66 -15.842 -1.077 1.113 445 HA ASP 66 HA ASP 66 -16.763 -3.815 1.456 446 1HB ASP 66 1HB ASP 66 -15.653 -2.696 -1.100 447 2HB ASP 66 2HB ASP 66 -16.858 -3.960 -0.876 448 H GLU 67 H GLU 67 -13.921 -2.293 -0.067 449 HA GLU 67 HA GLU 67 -12.271 -4.408 -0.363 450 1HB GLU 67 1HB GLU 67 -11.151 -1.909 0.866 451 2HB GLU 67 2HB GLU 67 -10.458 -2.932 -0.384 452 1HG GLU 67 1HG GLU 67 -12.468 -2.157 -1.806 453 2HG GLU 67 2HG GLU 67 -12.602 -0.865 -0.614 454 H ASN 68 H ASN 68 -12.764 -2.621 2.660 455 HA ASN 68 HA ASN 68 -10.962 -4.248 4.165 456 1HB ASN 68 1HB ASN 68 -11.754 -1.843 4.673 457 2HB ASN 68 2HB ASN 68 -13.185 -2.608 5.360 458 1HD2 ASN 68 2HD2 ASN 68 -12.602 -4.486 6.883 459 2HD2 ASN 68 1HD2 ASN 68 -11.364 -4.143 8.038 460 H ASP 69 H ASP 69 -14.368 -4.345 3.411 461 HA ASP 69 HA ASP 69 -15.025 -6.301 5.405 462 1HB ASP 69 1HB ASP 69 -16.766 -4.821 4.648 463 2HB ASP 69 2HB ASP 69 -16.518 -5.305 2.973 464 H LEU 70 H LEU 70 -14.203 -6.357 1.978 465 HA LEU 70 HA LEU 70 -14.850 -9.032 1.444 466 1HB LEU 70 1HB LEU 70 -13.865 -8.716 -0.582 467 2HB LEU 70 2HB LEU 70 -14.054 -7.040 -0.103 468 HG LEU 70 HG LEU 70 -11.622 -7.379 0.870 469 1HD1 LEU 70 1HD1 LEU 70 -11.977 -9.875 -0.139 470 2HD1 LEU 70 2HD1 LEU 70 -11.153 -9.072 -1.475 471 3HD1 LEU 70 3HD1 LEU 70 -10.410 -9.109 0.123 472 1HD2 LEU 70 1HD2 LEU 70 -12.730 -6.286 -1.471 473 2HD2 LEU 70 2HD2 LEU 70 -11.185 -5.893 -0.717 474 3HD2 LEU 70 3HD2 LEU 70 -11.267 -7.140 -1.961 475 H LEU 71 H LEU 71 -11.987 -7.567 2.860 476 HA LEU 71 HA LEU 71 -10.523 -10.059 2.878 477 1HB LEU 71 1HB LEU 71 -9.962 -7.311 3.969 478 2HB LEU 71 2HB LEU 71 -8.905 -8.673 4.289 479 HG LEU 71 HG LEU 71 -9.569 -8.088 1.449 480 1HD1 LEU 71 1HD1 LEU 71 -8.456 -6.123 3.211 481 2HD1 LEU 71 2HD1 LEU 71 -7.243 -6.633 2.037 482 3HD1 LEU 71 3HD1 LEU 71 -8.798 -6.010 1.485 483 1HD2 LEU 71 1HD2 LEU 71 -7.617 -9.577 2.984 484 2HD2 LEU 71 2HD2 LEU 71 -8.053 -9.709 1.281 485 3HD2 LEU 71 3HD2 LEU 71 -6.853 -8.523 1.793 486 H GLN 72 H GLN 72 -12.382 -8.104 5.124 487 HA GLN 72 HA GLN 72 -11.636 -9.422 7.499 488 1HB GLN 72 1HB GLN 72 -13.827 -7.611 6.657 489 2HB GLN 72 2HB GLN 72 -14.124 -8.581 8.093 490 1HG GLN 72 1HG GLN 72 -11.537 -7.160 7.955 491 2HG GLN 72 2HG GLN 72 -12.984 -6.175 8.164 492 1HE2 GLN 72 2HE2 GLN 72 -11.396 -9.064 9.455 493 2HE2 GLN 72 1HE2 GLN 72 -11.867 -8.804 11.097 494 H SER 73 H SER 73 -13.857 -10.249 4.963 495 HA SER 73 HA SER 73 -15.499 -12.065 6.334 496 1HB SER 73 1HB SER 73 -15.297 -11.138 3.725 497 2HB SER 73 2HB SER 73 -14.935 -12.858 3.583 498 HG SER 73 HG SER 73 -17.302 -11.690 3.923 499 H THR 74 H THR 74 -12.311 -12.411 4.907 500 HA THR 74 HA THR 74 -12.120 -15.200 4.887 501 HB THR 74 HB THR 74 -9.701 -14.876 4.871 502 HG1 THR 74 HG1 THR 74 -10.371 -12.268 5.724 503 1HG2 THR 74 1HG2 THR 74 -11.097 -12.720 3.305 504 2HG2 THR 74 2HG2 THR 74 -9.449 -13.286 3.032 505 3HG2 THR 74 3HG2 THR 74 -10.810 -14.380 2.781 506 H GLY 75 H GLY 75 -11.664 -12.869 7.479 507 1HA GLY 75 1HA GLY 75 -11.865 -13.283 9.765 508 2HA GLY 75 2HA GLY 75 -11.878 -15.007 9.428 509 H GLU 76 H GLU 76 -9.360 -13.243 7.937 510 HA GLU 76 HA GLU 76 -7.420 -14.540 9.676 511 1HB GLU 76 1HB GLU 76 -7.395 -13.379 6.950 512 2HB GLU 76 2HB GLU 76 -5.893 -13.266 7.858 513 1HG GLU 76 1HG GLU 76 -6.941 -15.905 8.117 514 2HG GLU 76 2HG GLU 76 -6.901 -15.459 6.412 515 HA PRO 77 HA PRO 77 -6.133 -11.012 11.961 516 1HB PRO 77 1HB PRO 77 -3.411 -11.141 11.836 517 2HB PRO 77 2HB PRO 77 -4.392 -12.222 12.832 518 1HG PRO 77 1HG PRO 77 -3.195 -12.702 10.130 519 2HG PRO 77 2HG PRO 77 -3.259 -13.785 11.534 520 1HD PRO 77 1HD PRO 77 -4.960 -14.033 9.456 521 2HD PRO 77 2HD PRO 77 -5.453 -14.390 11.124 522 H MET 78 H MET 78 -6.337 -8.967 11.338 523 HA MET 78 HA MET 78 -4.590 -7.950 9.205 524 1HB MET 78 1HB MET 78 -7.578 -7.705 9.405 525 2HB MET 78 2HB MET 78 -6.632 -6.483 8.566 526 1HG MET 78 1HG MET 78 -5.887 -8.022 6.950 527 2HG MET 78 2HG MET 78 -6.444 -9.400 7.897 528 1HE MET 78 1HE MET 78 -8.019 -6.050 7.353 529 2HE MET 78 2HE MET 78 -7.950 -6.270 5.605 530 3HE MET 78 3HE MET 78 -9.500 -6.346 6.443 531 H THR 79 H THR 79 -4.183 -5.678 9.296 532 HA THR 79 HA THR 79 -4.695 -4.508 11.952 533 HB THR 79 HB THR 79 -2.547 -3.435 11.862 534 HG1 THR 79 HG1 THR 79 -2.557 -3.089 9.566 535 1HG2 THR 79 1HG2 THR 79 -2.786 -6.213 11.923 536 2HG2 THR 79 2HG2 THR 79 -1.404 -5.873 10.881 537 3HG2 THR 79 3HG2 THR 79 -1.448 -5.233 12.523 538 H ALA 80 H ALA 80 -3.912 -1.964 11.605 539 HA ALA 80 HA ALA 80 -6.013 -0.910 9.924 540 1HB ALA 80 1HB ALA 80 -4.108 0.314 11.893 541 2HB ALA 80 2HB ALA 80 -5.136 1.306 10.859 542 3HB ALA 80 3HB ALA 80 -5.864 0.169 11.994 543 H GLY 81 H GLY 81 -5.705 -0.514 7.837 544 1HA GLY 81 1HA GLY 81 -4.514 1.028 6.302 545 2HA GLY 81 2HA GLY 81 -3.027 0.394 6.984 546 H THR 82 H THR 82 -4.092 -2.364 7.028 547 HA THR 82 HA THR 82 -3.091 -3.283 4.608 548 HB THR 82 HB THR 82 -5.185 -4.978 5.792 549 HG1 THR 82 HG1 THR 82 -3.022 -4.026 7.354 550 1HG2 THR 82 1HG2 THR 82 -2.277 -5.283 5.155 551 2HG2 THR 82 2HG2 THR 82 -3.158 -6.488 6.094 552 3HG2 THR 82 3HG2 THR 82 -3.662 -6.114 4.445 553 H ARG 83 H ARG 83 -3.878 -2.562 2.702 554 HA ARG 83 HA ARG 83 -6.553 -3.353 1.951 555 1HB ARG 83 1HB ARG 83 -5.785 -0.435 1.801 556 2HB ARG 83 2HB ARG 83 -7.304 -1.147 1.274 557 1HG ARG 83 1HG ARG 83 -7.679 -1.845 3.657 558 2HG ARG 83 2HG ARG 83 -6.286 -0.852 4.085 559 1HD ARG 83 1HD ARG 83 -8.995 -0.057 3.204 560 2HD ARG 83 2HD ARG 83 -7.936 0.685 4.396 561 HE ARG 83 HE ARG 83 -8.212 1.483 1.710 562 1HH1 ARG 83 1HH1 ARG 83 -5.749 0.922 4.112 563 2HH1 ARG 83 2HH1 ARG 83 -4.641 2.064 3.427 564 1HH2 ARG 83 1HH2 ARG 83 -6.769 2.991 0.811 565 2HH2 ARG 83 2HH2 ARG 83 -5.223 3.241 1.549 566 H LEU 84 H LEU 84 -6.987 -2.774 -0.384 567 HA LEU 84 HA LEU 84 -4.908 -3.743 -1.994 568 1HB LEU 84 1HB LEU 84 -7.468 -2.301 -2.644 569 2HB LEU 84 2HB LEU 84 -6.370 -2.857 -3.892 570 HG LEU 84 HG LEU 84 -6.631 -5.174 -2.698 571 1HD1 LEU 84 1HD1 LEU 84 -8.887 -3.554 -1.608 572 2HD1 LEU 84 2HD1 LEU 84 -9.122 -5.268 -1.948 573 3HD1 LEU 84 3HD1 LEU 84 -7.877 -4.759 -0.809 574 1HD2 LEU 84 1HD2 LEU 84 -7.462 -4.304 -4.997 575 2HD2 LEU 84 2HD2 LEU 84 -8.161 -5.777 -4.323 576 3HD2 LEU 84 3HD2 LEU 84 -9.039 -4.251 -4.209 577 H SER 85 H SER 85 -3.184 -2.290 -1.225 578 HA SER 85 HA SER 85 -2.949 0.392 -1.466 579 1HB SER 85 1HB SER 85 -1.067 -0.797 -0.660 580 2HB SER 85 2HB SER 85 -0.945 -1.758 -2.134 581 HG SER 85 HG SER 85 0.155 -0.209 -3.043 582 H CYS 86 H CYS 86 -2.725 -1.939 -4.114 583 HA CYS 86 HA CYS 86 -1.980 -0.181 -6.151 584 1HB CYS 86 1HB CYS 86 -2.429 -1.913 -7.625 585 2HB CYS 86 2HB CYS 86 -2.203 -2.789 -6.116 586 H GLN 87 H GLN 87 -4.864 -0.295 -4.397 587 HA GLN 87 HA GLN 87 -6.411 0.949 -6.547 588 1HB GLN 87 1HB GLN 87 -7.142 -0.380 -3.964 589 2HB GLN 87 2HB GLN 87 -8.275 0.714 -4.745 590 1HG GLN 87 1HG GLN 87 -7.054 -1.686 -6.084 591 2HG GLN 87 2HG GLN 87 -8.621 -1.688 -5.278 592 1HE2 GLN 87 2HE2 GLN 87 -7.705 -2.031 -8.138 593 2HE2 GLN 87 1HE2 GLN 87 -8.707 -0.946 -9.034 594 H VAL 88 H VAL 88 -4.397 1.987 -4.129 595 HA VAL 88 HA VAL 88 -6.024 4.368 -3.588 596 HB VAL 88 HB VAL 88 -3.691 3.165 -2.111 597 1HG1 VAL 88 1HG1 VAL 88 -4.252 5.878 -2.368 598 2HG1 VAL 88 2HG1 VAL 88 -4.888 5.419 -0.790 599 3HG1 VAL 88 3HG1 VAL 88 -3.198 5.110 -1.184 600 1HG2 VAL 88 1HG2 VAL 88 -6.181 2.404 -1.874 601 2HG2 VAL 88 2HG2 VAL 88 -5.168 2.610 -0.445 602 3HG2 VAL 88 3HG2 VAL 88 -6.322 3.866 -0.896 603 H PHE 89 H PHE 89 -5.495 6.158 -4.673 604 HA PHE 89 HA PHE 89 -2.782 6.350 -5.778 605 1HB PHE 89 1HB PHE 89 -5.280 7.727 -6.743 606 2HB PHE 89 2HB PHE 89 -3.705 7.755 -7.526 607 HD1 PHE 89 HD1 PHE 89 -3.466 4.710 -6.499 608 HD2 PHE 89 HD2 PHE 89 -6.086 6.911 -9.021 609 HE1 PHE 89 HE1 PHE 89 -4.044 2.626 -7.697 610 HE2 PHE 89 HE2 PHE 89 -6.671 4.845 -10.241 611 HZ PHE 89 HZ PHE 89 -5.647 2.696 -9.579 612 H ILE 90 H ILE 90 -1.559 8.065 -5.510 613 HA ILE 90 HA ILE 90 -1.629 9.601 -3.268 614 HB ILE 90 HB ILE 90 -0.313 10.088 -5.932 615 1HG1 ILE 90 1HG1 ILE 90 0.108 8.094 -4.171 616 2HG1 ILE 90 2HG1 ILE 90 1.381 8.778 -5.177 617 1HG2 ILE 90 1HG2 ILE 90 -0.024 11.554 -3.341 618 2HG2 ILE 90 2HG2 ILE 90 1.304 11.426 -4.494 619 3HG2 ILE 90 3HG2 ILE 90 -0.199 12.215 -4.961 620 1HD1 ILE 90 1HD1 ILE 90 1.955 10.324 -3.301 621 2HD1 ILE 90 2HD1 ILE 90 0.760 9.463 -2.320 622 3HD1 ILE 90 3HD1 ILE 90 2.173 8.605 -2.927 623 H ASP 91 H ASP 91 -2.254 11.604 -2.724 624 HA ASP 91 HA ASP 91 -3.461 13.495 -4.470 625 1HB ASP 91 1HB ASP 91 -5.518 13.483 -2.885 626 2HB ASP 91 2HB ASP 91 -5.412 12.186 -4.065 627 HA PRO 92 HA PRO 92 -1.314 16.245 -1.752 628 1HB PRO 92 1HB PRO 92 -4.099 17.311 -1.315 629 2HB PRO 92 2HB PRO 92 -2.584 18.207 -1.507 630 1HG PRO 92 1HG PRO 92 -4.212 17.903 -3.593 631 2HG PRO 92 2HG PRO 92 -2.459 17.766 -3.801 632 1HD PRO 92 1HD PRO 92 -4.530 15.675 -3.872 633 2HD PRO 92 2HD PRO 92 -2.927 15.679 -4.618 634 H SER 93 H SER 93 -4.203 14.581 -0.816 635 HA SER 93 HA SER 93 -3.828 14.688 2.027 636 1HB SER 93 1HB SER 93 -5.514 12.594 1.449 637 2HB SER 93 2HB SER 93 -6.022 14.258 1.716 638 HG SER 93 HG SER 93 -6.646 14.275 -0.279 639 H MET 94 H MET 94 -1.630 13.494 0.294 640 HA MET 94 HA MET 94 -1.018 11.244 1.899 641 1HB MET 94 1HB MET 94 -2.376 10.901 -0.691 642 2HB MET 94 2HB MET 94 -0.942 9.910 -0.477 643 1HG MET 94 1HG MET 94 -2.011 9.313 1.794 644 2HG MET 94 2HG MET 94 -3.486 9.910 1.073 645 1HE MET 94 1HE MET 94 -4.948 8.805 0.208 646 2HE MET 94 2HE MET 94 -4.840 7.597 -1.073 647 3HE MET 94 3HE MET 94 -4.912 7.089 0.614 648 H ASP 95 H ASP 95 0.308 13.606 1.298 649 HA ASP 95 HA ASP 95 2.334 12.926 -0.615 650 1HB ASP 95 1HB ASP 95 1.607 15.477 0.785 651 2HB ASP 95 2HB ASP 95 3.141 15.320 -0.054 652 H GLY 96 H GLY 96 4.233 12.123 -0.059 653 1HA GLY 96 1HA GLY 96 6.144 11.774 1.259 654 2HA GLY 96 2HA GLY 96 5.405 12.750 2.524 655 H LEU 97 H LEU 97 3.844 10.139 0.867 656 HA LEU 97 HA LEU 97 2.921 8.886 3.199 657 1HB LEU 97 1HB LEU 97 2.492 8.700 0.442 658 2HB LEU 97 2HB LEU 97 2.990 7.099 0.950 659 HG LEU 97 HG LEU 97 1.164 7.649 2.859 660 1HD1 LEU 97 1HD1 LEU 97 0.866 9.750 1.133 661 2HD1 LEU 97 2HD1 LEU 97 -0.387 8.621 0.613 662 3HD1 LEU 97 3HD1 LEU 97 -0.338 9.172 2.283 663 1HD2 LEU 97 1HD2 LEU 97 1.345 6.040 0.507 664 2HD2 LEU 97 2HD2 LEU 97 0.424 5.745 1.982 665 3HD2 LEU 97 3HD2 LEU 97 -0.303 6.654 0.656 666 H ILE 98 H ILE 98 3.290 6.874 4.032 667 HA ILE 98 HA ILE 98 5.916 5.730 3.450 668 HB ILE 98 HB ILE 98 4.643 5.800 6.124 669 1HG1 ILE 98 1HG1 ILE 98 6.474 7.319 6.750 670 2HG1 ILE 98 2HG1 ILE 98 7.002 7.322 5.064 671 1HG2 ILE 98 1HG2 ILE 98 6.328 3.911 5.252 672 2HG2 ILE 98 2HG2 ILE 98 7.470 5.100 5.880 673 3HG2 ILE 98 3HG2 ILE 98 6.221 4.436 6.933 674 1HD1 ILE 98 1HD1 ILE 98 4.191 7.915 5.377 675 2HD1 ILE 98 2HD1 ILE 98 5.244 9.085 6.192 676 3HD1 ILE 98 3HD1 ILE 98 5.440 8.765 4.473 677 H VAL 99 H VAL 99 5.762 3.726 2.637 678 HA VAL 99 HA VAL 99 3.333 2.268 3.216 679 HB VAL 99 HB VAL 99 5.105 1.150 1.210 680 1HG1 VAL 99 1HG1 VAL 99 2.289 1.387 1.946 681 2HG1 VAL 99 2HG1 VAL 99 2.596 1.485 0.206 682 3HG1 VAL 99 3HG1 VAL 99 3.143 0.079 1.115 683 1HG2 VAL 99 1HG2 VAL 99 3.675 3.782 0.830 684 2HG2 VAL 99 2HG2 VAL 99 5.414 3.510 0.729 685 3HG2 VAL 99 3HG2 VAL 99 4.339 2.798 -0.475 686 H ARG 100 H ARG 100 3.825 -0.261 2.804 687 HA ARG 100 HA ARG 100 6.149 -1.278 4.120 688 1HB ARG 100 1HB ARG 100 3.705 -0.744 5.671 689 2HB ARG 100 2HB ARG 100 4.345 -2.371 5.858 690 1HG ARG 100 1HG ARG 100 6.410 -1.561 6.681 691 2HG ARG 100 2HG ARG 100 6.022 0.096 6.210 692 1HD ARG 100 1HD ARG 100 4.720 0.450 8.019 693 2HD ARG 100 2HD ARG 100 4.105 -1.202 8.030 694 HE ARG 100 HE ARG 100 6.810 -1.219 8.796 695 1HH1 ARG 100 1HH1 ARG 100 3.687 -0.220 9.975 696 2HH1 ARG 100 2HH1 ARG 100 4.118 -0.391 11.643 697 1HH2 ARG 100 1HH2 ARG 100 7.389 -1.441 10.992 698 2HH2 ARG 100 2HH2 ARG 100 6.222 -1.083 12.222 699 H VAL 101 H VAL 101 6.289 -3.577 4.000 700 HA VAL 101 HA VAL 101 4.203 -4.796 2.307 701 HB VAL 101 HB VAL 101 7.114 -5.589 2.470 702 1HG1 VAL 101 1HG1 VAL 101 4.860 -6.490 0.683 703 2HG1 VAL 101 2HG1 VAL 101 6.561 -6.874 0.410 704 3HG1 VAL 101 3HG1 VAL 101 5.745 -7.460 1.861 705 1HG2 VAL 101 1HG2 VAL 101 6.191 -3.318 1.320 706 2HG2 VAL 101 2HG2 VAL 101 7.611 -4.206 0.766 707 3HG2 VAL 101 3HG2 VAL 101 6.053 -4.451 -0.023 708 HA PRO 102 HA PRO 102 3.810 -7.386 5.978 709 1HB PRO 102 1HB PRO 102 1.299 -8.084 5.629 710 2HB PRO 102 2HB PRO 102 1.685 -6.388 5.972 711 1HG PRO 102 1HG PRO 102 1.224 -7.701 3.306 712 2HG PRO 102 2HG PRO 102 0.432 -6.250 3.960 713 1HD PRO 102 1HD PRO 102 2.566 -6.127 2.287 714 2HD PRO 102 2HD PRO 102 2.286 -4.920 3.562 715 H LEU 103 H LEU 103 5.230 -8.428 3.913 716 HA LEU 103 HA LEU 103 4.003 -10.891 3.012 717 1HB LEU 103 1HB LEU 103 5.660 -11.015 1.493 718 2HB LEU 103 2HB LEU 103 5.901 -9.329 1.904 719 HG LEU 103 HG LEU 103 7.495 -11.697 2.873 720 1HD1 LEU 103 1HD1 LEU 103 7.867 -9.539 0.905 721 2HD1 LEU 103 2HD1 LEU 103 9.253 -9.887 1.939 722 3HD1 LEU 103 3HD1 LEU 103 8.545 -11.168 0.953 723 1HD2 LEU 103 1HD2 LEU 103 6.959 -9.239 4.235 724 2HD2 LEU 103 2HD2 LEU 103 7.974 -10.593 4.734 725 3HD2 LEU 103 3HD2 LEU 103 8.656 -9.292 3.757 726 HA PRO 104 HA PRO 104 5.827 -13.452 6.124 727 1HB PRO 104 1HB PRO 104 6.269 -15.760 4.841 728 2HB PRO 104 2HB PRO 104 4.639 -15.106 5.032 729 1HG PRO 104 1HG PRO 104 6.359 -15.209 2.628 730 2HG PRO 104 2HG PRO 104 4.594 -15.178 2.747 731 1HD PRO 104 1HD PRO 104 6.352 -12.995 2.207 732 2HD PRO 104 2HD PRO 104 4.592 -12.941 2.405 733 H ALA 105 H ALA 105 7.672 -14.361 7.020 734 HA ALA 105 HA ALA 105 10.126 -14.555 5.508 735 1HB ALA 105 1HB ALA 105 9.770 -12.105 6.274 736 2HB ALA 105 2HB ALA 105 10.214 -12.717 7.868 737 3HB ALA 105 3HB ALA 105 11.342 -12.864 6.521 Start of MODEL 14 1 2H PRO 1 2H PRO 1 3.949 14.731 -5.261 2 1H PRO 1 1H PRO 1 4.668 13.258 -5.435 3 HA PRO 1 HA PRO 1 4.521 14.844 -3.268 4 1HB PRO 1 1HB PRO 1 3.505 12.166 -2.501 5 2HB PRO 1 2HB PRO 1 3.217 13.723 -1.760 6 1HG PRO 1 1HG PRO 1 1.328 12.721 -3.164 7 2HG PRO 1 2HG PRO 1 1.765 14.413 -3.453 8 1HD PRO 1 1HD PRO 1 2.699 11.977 -4.979 9 2HD PRO 1 2HD PRO 1 1.897 13.413 -5.619 10 H ARG 2 H ARG 2 5.280 13.184 -1.368 11 HA ARG 2 HA ARG 2 7.686 11.821 -2.454 12 1HB ARG 2 1HB ARG 2 8.229 13.797 -1.076 13 2HB ARG 2 2HB ARG 2 7.266 13.148 0.244 14 1HG ARG 2 1HG ARG 2 9.352 12.555 0.928 15 2HG ARG 2 2HG ARG 2 8.909 11.114 0.015 16 1HD ARG 2 1HD ARG 2 11.069 11.618 -0.716 17 2HD ARG 2 2HD ARG 2 10.022 12.252 -1.979 18 HE ARG 2 HE ARG 2 11.471 13.839 0.020 19 1HH1 ARG 2 1HH1 ARG 2 9.604 13.690 -2.941 20 2HH1 ARG 2 2HH1 ARG 2 9.971 15.319 -3.390 21 1HH2 ARG 2 1HH2 ARG 2 11.940 15.976 -0.583 22 2HH2 ARG 2 2HH2 ARG 2 11.292 16.614 -2.057 23 H VAL 3 H VAL 3 8.322 9.783 -1.114 24 HA VAL 3 HA VAL 3 6.202 8.823 0.574 25 HB VAL 3 HB VAL 3 6.340 8.177 -2.267 26 1HG1 VAL 3 1HG1 VAL 3 7.151 6.067 -1.011 27 2HG1 VAL 3 2HG1 VAL 3 5.455 5.944 -0.559 28 3HG1 VAL 3 3HG1 VAL 3 5.910 5.985 -2.266 29 1HG2 VAL 3 1HG2 VAL 3 4.402 8.348 -0.077 30 2HG2 VAL 3 2HG2 VAL 3 4.349 9.026 -1.710 31 3HG2 VAL 3 3HG2 VAL 3 4.017 7.309 -1.455 32 H VAL 4 H VAL 4 6.563 6.481 1.175 33 HA VAL 4 HA VAL 4 9.297 5.622 0.947 34 HB VAL 4 HB VAL 4 8.283 6.711 3.537 35 1HG1 VAL 4 1HG1 VAL 4 9.844 4.259 3.161 36 2HG1 VAL 4 2HG1 VAL 4 10.614 5.443 4.221 37 3HG1 VAL 4 3HG1 VAL 4 8.993 4.852 4.591 38 1HG2 VAL 4 1HG2 VAL 4 10.680 6.983 1.784 39 2HG2 VAL 4 2HG2 VAL 4 9.648 8.240 2.472 40 3HG2 VAL 4 3HG2 VAL 4 10.801 7.384 3.500 41 H PHE 5 H PHE 5 9.109 3.659 0.430 42 HA PHE 5 HA PHE 5 6.965 1.949 1.484 43 1HB PHE 5 1HB PHE 5 9.021 1.637 -0.696 44 2HB PHE 5 2HB PHE 5 7.973 0.331 -0.185 45 HD1 PHE 5 HD1 PHE 5 6.600 3.802 -0.425 46 HD2 PHE 5 HD2 PHE 5 7.171 0.058 -2.368 47 HE1 PHE 5 HE1 PHE 5 5.017 4.426 -2.166 48 HE2 PHE 5 HE2 PHE 5 5.588 0.639 -4.053 49 HZ PHE 5 HZ PHE 5 4.471 2.831 -3.967 50 H ILE 6 H ILE 6 7.800 -0.422 1.735 51 HA ILE 6 HA ILE 6 10.412 -0.733 2.878 52 HB ILE 6 HB ILE 6 8.179 -1.668 4.604 53 1HG1 ILE 6 1HG1 ILE 6 7.931 0.813 4.024 54 2HG1 ILE 6 2HG1 ILE 6 7.937 0.379 5.722 55 1HG2 ILE 6 1HG2 ILE 6 11.019 -1.464 4.618 56 2HG2 ILE 6 2HG2 ILE 6 10.346 -0.658 6.031 57 3HG2 ILE 6 3HG2 ILE 6 9.957 -2.349 5.711 58 1HD1 ILE 6 1HD1 ILE 6 10.583 0.944 4.743 59 2HD1 ILE 6 2HD1 ILE 6 9.481 2.291 4.471 60 3HD1 ILE 6 3HD1 ILE 6 9.708 1.651 6.099 61 H ASP 7 H ASP 7 10.740 -3.049 3.583 62 HA ASP 7 HA ASP 7 8.947 -5.070 2.785 63 1HB ASP 7 1HB ASP 7 9.473 -4.504 0.530 64 2HB ASP 7 2HB ASP 7 11.191 -4.462 0.877 65 H GLU 8 H GLU 8 9.995 -7.212 2.799 66 HA GLU 8 HA GLU 8 11.712 -7.381 5.104 67 1HB GLU 8 1HB GLU 8 9.685 -8.922 4.252 68 2HB GLU 8 2HB GLU 8 11.033 -9.833 3.587 69 1HG GLU 8 1HG GLU 8 11.611 -9.118 6.293 70 2HG GLU 8 2HG GLU 8 10.026 -9.885 6.203 71 H GLN 9 H GLN 9 12.267 -7.234 1.778 72 HA GLN 9 HA GLN 9 14.669 -8.870 1.860 73 1HB GLN 9 1HB GLN 9 13.453 -7.252 -0.384 74 2HB GLN 9 2HB GLN 9 14.870 -8.283 -0.539 75 1HG GLN 9 1HG GLN 9 12.364 -9.476 0.519 76 2HG GLN 9 2HG GLN 9 12.470 -9.122 -1.205 77 1HE2 GLN 9 2HE2 GLN 9 13.781 -10.997 1.426 78 2HE2 GLN 9 1HE2 GLN 9 14.599 -12.164 0.450 79 H SER 10 H SER 10 13.747 -5.489 1.779 80 HA SER 10 HA SER 10 16.597 -4.778 2.037 81 1HB SER 10 1HB SER 10 14.780 -3.911 0.078 82 2HB SER 10 2HB SER 10 14.983 -2.547 1.174 83 HG SER 10 HG SER 10 16.775 -3.692 -0.575 84 H GLY 11 H GLY 11 13.372 -4.442 3.266 85 1HA GLY 11 1HA GLY 11 12.699 -3.726 5.354 86 2HA GLY 11 2HA GLY 11 14.372 -3.372 5.728 87 H GLU 12 H GLU 12 13.169 -2.002 2.865 88 HA GLU 12 HA GLU 12 11.810 0.235 3.595 89 1HB GLU 12 1HB GLU 12 13.483 0.984 5.083 90 2HB GLU 12 2HB GLU 12 14.766 0.658 3.921 91 1HG GLU 12 1HG GLU 12 14.043 2.450 2.515 92 2HG GLU 12 2HG GLU 12 12.602 2.701 3.497 93 H TYR 13 H TYR 13 11.305 1.455 1.903 94 HA TYR 13 HA TYR 13 12.963 1.358 -0.481 95 1HB TYR 13 1HB TYR 13 10.177 0.287 -0.240 96 2HB TYR 13 2HB TYR 13 10.800 0.846 -1.791 97 HD1 TYR 13 HD1 TYR 13 11.660 -1.420 1.035 98 HD2 TYR 13 HD2 TYR 13 11.987 -0.639 -3.122 99 HE1 TYR 13 HE1 TYR 13 12.810 -3.579 0.741 100 HE2 TYR 13 HE2 TYR 13 13.103 -2.783 -3.463 101 HH TYR 13 HH TYR 13 14.362 -4.423 -2.235 102 H ALA 14 H ALA 14 13.014 3.533 0.812 103 HA ALA 14 HA ALA 14 11.023 5.427 0.796 104 1HB ALA 14 1HB ALA 14 13.983 5.559 0.654 105 2HB ALA 14 2HB ALA 14 13.070 7.036 0.343 106 3HB ALA 14 3HB ALA 14 12.877 6.187 1.877 107 H VAL 15 H VAL 15 10.134 6.826 -0.625 108 HA VAL 15 HA VAL 15 11.201 7.212 -3.250 109 HB VAL 15 HB VAL 15 10.113 4.937 -3.265 110 1HG1 VAL 15 1HG1 VAL 15 7.595 6.589 -3.096 111 2HG1 VAL 15 2HG1 VAL 15 7.660 4.944 -3.766 112 3HG1 VAL 15 3HG1 VAL 15 8.096 5.221 -2.086 113 1HG2 VAL 15 1HG2 VAL 15 10.172 7.031 -5.187 114 2HG2 VAL 15 2HG2 VAL 15 10.330 5.299 -5.439 115 3HG2 VAL 15 3HG2 VAL 15 8.732 6.046 -5.448 116 H ASP 16 H ASP 16 8.783 7.771 -4.472 117 HA ASP 16 HA ASP 16 7.439 9.818 -2.990 118 1HB ASP 16 1HB ASP 16 8.438 10.559 -5.655 119 2HB ASP 16 2HB ASP 16 8.102 11.587 -4.271 120 H ALA 17 H ALA 17 5.661 10.647 -4.337 121 HA ALA 17 HA ALA 17 4.939 8.828 -6.509 122 1HB ALA 17 1HB ALA 17 4.084 8.470 -3.997 123 2HB ALA 17 2HB ALA 17 2.800 9.519 -4.659 124 3HB ALA 17 3HB ALA 17 3.186 7.976 -5.444 125 H GLN 18 H GLN 18 2.574 9.591 -7.211 126 HA GLN 18 HA GLN 18 2.525 12.513 -7.465 127 1HB GLN 18 1HB GLN 18 1.901 10.797 -9.845 128 2HB GLN 18 2HB GLN 18 2.352 12.495 -9.794 129 1HG GLN 18 1HG GLN 18 4.626 11.957 -9.349 130 2HG GLN 18 2HG GLN 18 4.234 10.256 -9.106 131 1HE2 GLN 18 2HE2 GLN 18 3.607 12.716 -11.592 132 2HE2 GLN 18 1HE2 GLN 18 4.092 11.733 -12.928 133 H ASP 19 H ASP 19 0.565 13.244 -6.900 134 HA ASP 19 HA ASP 19 -1.510 11.746 -6.030 135 1HB ASP 19 1HB ASP 19 -2.500 14.089 -7.470 136 2HB ASP 19 2HB ASP 19 -2.673 13.659 -5.784 137 H GLY 20 H GLY 20 -2.626 10.212 -6.855 138 1HA GLY 20 1HA GLY 20 -4.399 9.720 -8.522 139 2HA GLY 20 2HA GLY 20 -3.275 10.326 -9.730 140 H GLN 21 H GLN 21 -1.361 8.764 -7.545 141 HA GLN 21 HA GLN 21 -1.732 6.161 -8.890 142 1HB GLN 21 1HB GLN 21 0.998 7.009 -8.073 143 2HB GLN 21 2HB GLN 21 0.506 5.932 -9.368 144 1HG GLN 21 1HG GLN 21 -0.052 7.721 -10.779 145 2HG GLN 21 2HG GLN 21 0.009 8.889 -9.470 146 1HE2 GLN 21 2HE2 GLN 21 2.362 8.121 -8.295 147 2HE2 GLN 21 1HE2 GLN 21 3.678 8.461 -9.348 148 H SER 22 H SER 22 -0.844 4.331 -7.672 149 HA SER 22 HA SER 22 -1.174 4.819 -4.808 150 1HB SER 22 1HB SER 22 -1.706 2.442 -4.604 151 2HB SER 22 2HB SER 22 -2.700 3.160 -5.867 152 HG SER 22 HG SER 22 -1.021 1.112 -6.062 153 H LEU 23 H LEU 23 -0.024 2.499 -3.813 154 HA LEU 23 HA LEU 23 2.758 3.261 -3.864 155 1HB LEU 23 1HB LEU 23 2.410 2.542 -1.762 156 2HB LEU 23 2HB LEU 23 1.040 1.554 -2.226 157 HG LEU 23 HG LEU 23 3.622 0.435 -3.071 158 1HD1 LEU 23 1HD1 LEU 23 3.690 1.621 -0.611 159 2HD1 LEU 23 2HD1 LEU 23 3.265 -0.051 -0.243 160 3HD1 LEU 23 3HD1 LEU 23 4.727 0.307 -1.161 161 1HD2 LEU 23 1HD2 LEU 23 1.004 -0.419 -2.096 162 2HD2 LEU 23 2HD2 LEU 23 2.107 -1.203 -3.227 163 3HD2 LEU 23 3HD2 LEU 23 2.350 -1.384 -1.490 164 H MET 24 H MET 24 0.770 0.922 -5.379 165 HA MET 24 HA MET 24 2.687 -1.035 -5.988 166 1HB MET 24 1HB MET 24 0.009 -0.884 -6.342 167 2HB MET 24 2HB MET 24 0.561 -0.624 -7.992 168 1HG MET 24 1HG MET 24 1.662 -2.702 -8.064 169 2HG MET 24 2HG MET 24 1.543 -2.911 -6.318 170 1HE MET 24 1HE MET 24 0.761 -4.430 -9.173 171 2HE MET 24 2HE MET 24 -0.918 -4.967 -9.192 172 3HE MET 24 3HE MET 24 -0.501 -3.363 -9.791 173 H GLU 25 H GLU 25 1.681 1.869 -7.734 174 HA GLU 25 HA GLU 25 3.418 1.292 -9.929 175 1HB GLU 25 1HB GLU 25 1.352 2.674 -10.179 176 2HB GLU 25 2HB GLU 25 2.121 3.924 -9.211 177 1HG GLU 25 1HG GLU 25 3.638 4.462 -10.872 178 2HG GLU 25 2HG GLU 25 3.438 2.914 -11.694 179 H VAL 26 H VAL 26 3.589 3.389 -7.097 180 HA VAL 26 HA VAL 26 5.965 4.657 -7.721 181 HB VAL 26 HB VAL 26 5.968 3.613 -4.987 182 1HG1 VAL 26 1HG1 VAL 26 6.169 6.271 -6.326 183 2HG1 VAL 26 2HG1 VAL 26 6.170 6.084 -4.570 184 3HG1 VAL 26 3HG1 VAL 26 7.415 5.323 -5.541 185 1HG2 VAL 26 1HG2 VAL 26 3.547 3.779 -5.381 186 2HG2 VAL 26 2HG2 VAL 26 4.202 4.862 -4.142 187 3HG2 VAL 26 3HG2 VAL 26 3.795 5.498 -5.742 188 H ALA 27 H ALA 27 5.518 1.740 -5.815 189 HA ALA 27 HA ALA 27 7.869 0.754 -5.327 190 1HB ALA 27 1HB ALA 27 5.372 -0.373 -5.615 191 2HB ALA 27 2HB ALA 27 6.393 -1.338 -6.686 192 3HB ALA 27 3HB ALA 27 6.807 -1.174 -4.974 193 H THR 28 H THR 28 6.419 -0.368 -8.337 194 HA THR 28 HA THR 28 8.677 -1.402 -9.478 195 HB THR 28 HB THR 28 7.434 -1.718 -11.330 196 HG1 THR 28 HG1 THR 28 6.408 0.914 -11.221 197 1HG2 THR 28 1HG2 THR 28 5.774 -1.890 -9.392 198 2HG2 THR 28 2HG2 THR 28 5.125 -0.369 -10.004 199 3HG2 THR 28 3HG2 THR 28 5.143 -1.799 -11.036 200 H GLN 29 H GLN 29 7.765 1.922 -9.155 201 HA GLN 29 HA GLN 29 9.778 2.855 -11.013 202 1HB GLN 29 1HB GLN 29 8.017 4.369 -9.084 203 2HB GLN 29 2HB GLN 29 9.112 5.122 -10.235 204 1HG GLN 29 1HG GLN 29 7.518 3.333 -11.704 205 2HG GLN 29 2HG GLN 29 6.437 4.205 -10.619 206 1HE2 GLN 29 2HE2 GLN 29 9.262 4.910 -12.655 207 2HE2 GLN 29 1HE2 GLN 29 8.609 6.347 -13.358 208 H ASN 30 H ASN 30 9.441 2.385 -7.586 209 HA ASN 30 HA ASN 30 11.906 3.784 -6.969 210 1HB ASN 30 1HB ASN 30 10.732 2.091 -4.886 211 2HB ASN 30 2HB ASN 30 11.157 3.779 -4.827 212 1HD2 ASN 30 2HD2 ASN 30 8.738 2.345 -3.916 213 2HD2 ASN 30 1HD2 ASN 30 7.436 3.125 -4.676 214 H GLY 31 H GLY 31 11.369 0.925 -8.373 215 1HA GLY 31 1HA GLY 31 12.807 -0.861 -8.742 216 2HA GLY 31 2HA GLY 31 13.920 -0.157 -7.574 217 H VAL 32 H VAL 32 10.824 -0.335 -6.369 218 HA VAL 32 HA VAL 32 11.417 -2.114 -4.296 219 HB VAL 32 HB VAL 32 8.669 -1.399 -5.247 220 1HG1 VAL 32 1HG1 VAL 32 9.849 -2.091 -2.612 221 2HG1 VAL 32 2HG1 VAL 32 8.416 -1.072 -2.709 222 3HG1 VAL 32 3HG1 VAL 32 8.379 -2.697 -3.384 223 1HG2 VAL 32 1HG2 VAL 32 10.719 0.359 -3.988 224 2HG2 VAL 32 2HG2 VAL 32 9.659 0.686 -5.359 225 3HG2 VAL 32 3HG2 VAL 32 8.999 0.635 -3.723 226 HA PRO 33 HA PRO 33 10.462 -6.080 -5.989 227 1HB PRO 33 1HB PRO 33 9.206 -6.912 -3.476 228 2HB PRO 33 2HB PRO 33 10.758 -7.404 -4.162 229 1HG PRO 33 1HG PRO 33 10.627 -5.842 -1.961 230 2HG PRO 33 2HG PRO 33 11.904 -5.640 -3.176 231 1HD PRO 33 1HD PRO 33 9.344 -4.118 -2.863 232 2HD PRO 33 2HD PRO 33 10.982 -3.495 -3.068 233 H GLY 34 H GLY 34 8.084 -3.917 -5.387 234 1HA GLY 34 1HA GLY 34 5.763 -3.923 -5.570 235 2HA GLY 34 2HA GLY 34 6.187 -4.711 -7.082 236 H ILE 35 H ILE 35 6.731 -6.180 -3.958 237 HA ILE 35 HA ILE 35 6.144 -8.328 -3.327 238 HB ILE 35 HB ILE 35 3.511 -6.858 -3.441 239 1HG1 ILE 35 1HG1 ILE 35 4.008 -6.588 -0.968 240 2HG1 ILE 35 2HG1 ILE 35 5.635 -7.161 -1.318 241 1HG2 ILE 35 1HG2 ILE 35 4.280 -9.423 -2.064 242 2HG2 ILE 35 2HG2 ILE 35 2.854 -8.477 -1.634 243 3HG2 ILE 35 3HG2 ILE 35 2.999 -9.171 -3.249 244 1HD1 ILE 35 1HD1 ILE 35 4.618 -4.911 -2.945 245 2HD1 ILE 35 2HD1 ILE 35 5.004 -4.588 -1.256 246 3HD1 ILE 35 3HD1 ILE 35 6.241 -5.233 -2.335 247 H VAL 36 H VAL 36 3.022 -7.932 -4.851 248 HA VAL 36 HA VAL 36 3.649 -9.461 -7.193 249 HB VAL 36 HB VAL 36 2.176 -11.390 -6.634 250 1HG1 VAL 36 1HG1 VAL 36 4.655 -11.492 -6.468 251 2HG1 VAL 36 2HG1 VAL 36 4.511 -11.125 -4.749 252 3HG1 VAL 36 3HG1 VAL 36 3.822 -12.615 -5.393 253 1HG2 VAL 36 1HG2 VAL 36 1.301 -9.905 -4.556 254 2HG2 VAL 36 2HG2 VAL 36 1.141 -11.659 -4.648 255 3HG2 VAL 36 3HG2 VAL 36 2.470 -10.941 -3.739 256 H ALA 37 H ALA 37 1.699 -9.916 -8.504 257 HA ALA 37 HA ALA 37 -0.773 -8.638 -7.760 258 1HB ALA 37 1HB ALA 37 0.716 -6.754 -8.509 259 2HB ALA 37 2HB ALA 37 0.699 -7.482 -10.116 260 3HB ALA 37 3HB ALA 37 -0.805 -6.913 -9.389 261 H GLU 38 H GLU 38 -2.379 -9.775 -8.621 262 HA GLU 38 HA GLU 38 -1.803 -11.608 -10.821 263 1HB GLU 38 1HB GLU 38 -2.849 -12.666 -8.960 264 2HB GLU 38 2HB GLU 38 -4.074 -11.409 -8.848 265 1HG GLU 38 1HG GLU 38 -4.129 -12.644 -11.444 266 2HG GLU 38 2HG GLU 38 -4.261 -13.856 -10.172 267 H CYS 39 H CYS 39 -3.712 -8.794 -10.040 268 HA CYS 39 HA CYS 39 -4.986 -8.882 -12.685 269 1HB CYS 39 1HB CYS 39 -6.682 -7.511 -11.858 270 2HB CYS 39 2HB CYS 39 -6.299 -8.525 -10.472 271 H GLY 40 H GLY 40 -2.841 -7.011 -10.649 272 1HA GLY 40 1HA GLY 40 -1.399 -5.296 -11.129 273 2HA GLY 40 2HA GLY 40 -1.535 -5.783 -12.812 274 H GLY 41 H GLY 41 -3.855 -4.387 -10.489 275 1HA GLY 41 1HA GLY 41 -4.784 -2.240 -10.527 276 2HA GLY 41 2HA GLY 41 -3.974 -1.942 -12.057 277 H SER 42 H SER 42 -5.498 -4.897 -12.222 278 HA SER 42 HA SER 42 -7.558 -3.814 -13.940 279 1HB SER 42 1HB SER 42 -6.115 -6.219 -13.846 280 2HB SER 42 2HB SER 42 -7.782 -6.664 -13.482 281 HG SER 42 HG SER 42 -7.196 -6.597 -15.770 282 H CYS 43 H CYS 43 -7.306 -4.473 -10.677 283 HA CYS 43 HA CYS 43 -8.795 -4.578 -8.964 284 1HB CYS 43 1HB CYS 43 -10.683 -3.554 -11.092 285 2HB CYS 43 2HB CYS 43 -11.070 -3.640 -9.377 286 HG CYS 43 HG CYS 43 -8.899 -1.735 -10.540 287 H VAL 44 H VAL 44 -8.304 -7.004 -9.676 288 HA VAL 44 HA VAL 44 -10.846 -8.361 -9.410 289 HB VAL 44 HB VAL 44 -10.738 -9.753 -11.290 290 1HG1 VAL 44 1HG1 VAL 44 -11.486 -7.455 -11.776 291 2HG1 VAL 44 2HG1 VAL 44 -9.842 -7.046 -12.269 292 3HG1 VAL 44 3HG1 VAL 44 -10.764 -8.243 -13.178 293 1HG2 VAL 44 1HG2 VAL 44 -7.890 -8.965 -11.343 294 2HG2 VAL 44 2HG2 VAL 44 -8.639 -10.532 -11.639 295 3HG2 VAL 44 3HG2 VAL 44 -8.652 -9.296 -12.896 296 H CYS 45 H CYS 45 -8.051 -7.968 -8.120 297 HA CYS 45 HA CYS 45 -7.811 -10.764 -7.309 298 1HB CYS 45 1HB CYS 45 -5.615 -11.032 -7.849 299 2HB CYS 45 2HB CYS 45 -6.030 -9.864 -9.098 300 H ALA 46 H ALA 46 -5.760 -10.594 -5.520 301 HA ALA 46 HA ALA 46 -6.159 -8.296 -3.806 302 1HB ALA 46 1HB ALA 46 -8.072 -9.891 -3.351 303 2HB ALA 46 2HB ALA 46 -6.868 -10.994 -2.687 304 3HB ALA 46 3HB ALA 46 -7.108 -9.407 -1.955 305 H THR 47 H THR 47 -4.006 -9.960 -5.202 306 HA THR 47 HA THR 47 -2.403 -10.932 -3.003 307 HB THR 47 HB THR 47 -0.661 -11.074 -4.961 308 HG1 THR 47 HG1 THR 47 -1.436 -10.257 -6.721 309 1HG2 THR 47 1HG2 THR 47 -3.134 -12.788 -4.964 310 2HG2 THR 47 2HG2 THR 47 -1.603 -13.177 -5.748 311 3HG2 THR 47 3HG2 THR 47 -1.685 -13.046 -3.992 312 H CYS 48 H CYS 48 -3.093 -7.921 -4.120 313 HA CYS 48 HA CYS 48 -0.422 -6.810 -3.825 314 1HB CYS 48 1HB CYS 48 -1.526 -4.655 -4.374 315 2HB CYS 48 2HB CYS 48 -1.807 -5.892 -5.592 316 H ARG 49 H ARG 49 -1.064 -7.999 -1.518 317 HA ARG 49 HA ARG 49 -2.366 -6.219 0.318 318 1HB ARG 49 1HB ARG 49 -2.605 -8.442 0.944 319 2HB ARG 49 2HB ARG 49 -0.938 -8.840 0.549 320 1HG ARG 49 1HG ARG 49 -0.128 -8.045 2.545 321 2HG ARG 49 2HG ARG 49 -1.490 -6.949 2.784 322 1HD ARG 49 1HD ARG 49 -2.930 -8.996 3.085 323 2HD ARG 49 2HD ARG 49 -1.442 -9.939 3.125 324 HE ARG 49 HE ARG 49 -1.121 -7.942 4.995 325 1HH1 ARG 49 1HH1 ARG 49 -3.320 -10.585 4.452 326 2HH1 ARG 49 2HH1 ARG 49 -3.663 -10.817 6.133 327 1HH2 ARG 49 1HH2 ARG 49 -1.560 -8.242 7.214 328 2HH2 ARG 49 2HH2 ARG 49 -2.663 -9.484 7.704 329 H ILE 50 H ILE 50 -1.500 -4.507 1.217 330 HA ILE 50 HA ILE 50 1.296 -4.515 2.033 331 HB ILE 50 HB ILE 50 0.246 -2.145 0.505 332 1HG1 ILE 50 1HG1 ILE 50 0.254 -4.217 -0.929 333 2HG1 ILE 50 2HG1 ILE 50 1.320 -2.934 -1.491 334 1HG2 ILE 50 1HG2 ILE 50 2.853 -3.010 1.646 335 2HG2 ILE 50 2HG2 ILE 50 2.861 -2.011 0.194 336 3HG2 ILE 50 3HG2 ILE 50 2.082 -1.425 1.665 337 1HD1 ILE 50 1HD1 ILE 50 2.713 -4.722 0.281 338 2HD1 ILE 50 2HD1 ILE 50 1.971 -5.597 -1.058 339 3HD1 ILE 50 3HD1 ILE 50 3.082 -4.265 -1.382 340 H GLU 51 H GLU 51 1.745 -2.399 3.320 341 HA GLU 51 HA GLU 51 -0.691 -1.496 4.673 342 1HB GLU 51 1HB GLU 51 1.632 -2.913 5.906 343 2HB GLU 51 2HB GLU 51 0.753 -1.715 6.847 344 1HG GLU 51 1HG GLU 51 -1.344 -2.999 6.304 345 2HG GLU 51 2HG GLU 51 -0.299 -4.265 5.659 346 H ILE 52 H ILE 52 -0.751 0.608 4.932 347 HA ILE 52 HA ILE 52 1.383 2.353 4.221 348 HB ILE 52 HB ILE 52 -1.214 2.852 5.692 349 1HG1 ILE 52 1HG1 ILE 52 -1.190 2.009 3.248 350 2HG1 ILE 52 2HG1 ILE 52 -2.173 3.420 3.637 351 1HG2 ILE 52 1HG2 ILE 52 0.473 4.574 6.171 352 2HG2 ILE 52 2HG2 ILE 52 0.632 4.874 4.441 353 3HG2 ILE 52 3HG2 ILE 52 -0.899 5.200 5.256 354 1HD1 ILE 52 1HD1 ILE 52 -0.350 4.858 2.847 355 2HD1 ILE 52 2HD1 ILE 52 0.543 3.413 2.367 356 3HD1 ILE 52 3HD1 ILE 52 -0.996 3.798 1.591 357 H GLU 53 H GLU 53 2.701 3.714 5.673 358 HA GLU 53 HA GLU 53 3.392 2.400 8.054 359 1HB GLU 53 1HB GLU 53 4.998 3.970 8.262 360 2HB GLU 53 2HB GLU 53 4.421 4.558 6.715 361 1HG GLU 53 1HG GLU 53 4.291 6.507 7.801 362 2HG GLU 53 2HG GLU 53 2.772 5.852 8.375 363 H ASP 54 H ASP 54 3.012 3.294 10.372 364 HA ASP 54 HA ASP 54 0.166 3.543 10.672 365 1HB ASP 54 1HB ASP 54 2.207 2.496 12.230 366 2HB ASP 54 2HB ASP 54 1.675 3.911 13.133 367 H ALA 55 H ALA 55 1.761 5.852 9.604 368 HA ALA 55 HA ALA 55 0.849 7.914 11.480 369 1HB ALA 55 1HB ALA 55 3.348 7.716 10.786 370 2HB ALA 55 2HB ALA 55 2.798 8.437 9.272 371 3HB ALA 55 3HB ALA 55 2.576 9.303 10.792 372 H TRP 56 H TRP 56 0.721 6.613 8.292 373 HA TRP 56 HA TRP 56 -0.880 8.870 7.357 374 1HB TRP 56 1HB TRP 56 0.499 6.709 5.808 375 2HB TRP 56 2HB TRP 56 -0.322 8.108 5.131 376 HD1 TRP 56 HD1 TRP 56 2.498 7.385 7.610 377 HE1 TRP 56 HE1 TRP 56 4.245 9.240 7.429 378 HE3 TRP 56 HE3 TRP 56 0.164 10.247 4.067 379 HZ2 TRP 56 HZ2 TRP 56 4.603 11.607 5.964 380 HZ3 TRP 56 HZ3 TRP 56 1.334 12.287 3.311 381 HH2 TRP 56 HH2 TRP 56 3.480 12.948 4.232 382 H VAL 57 H VAL 57 -1.538 5.933 8.638 383 HA VAL 57 HA VAL 57 -3.348 4.916 6.737 384 HB VAL 57 HB VAL 57 -3.502 4.655 9.735 385 1HG1 VAL 57 1HG1 VAL 57 -5.512 4.041 8.530 386 2HG1 VAL 57 2HG1 VAL 57 -4.570 2.986 7.479 387 3HG1 VAL 57 3HG1 VAL 57 -4.721 2.608 9.197 388 1HG2 VAL 57 1HG2 VAL 57 -1.348 4.098 8.359 389 2HG2 VAL 57 2HG2 VAL 57 -1.909 3.029 9.647 390 3HG2 VAL 57 3HG2 VAL 57 -2.254 2.635 7.961 391 H GLU 58 H GLU 58 -3.513 7.215 9.342 392 HA GLU 58 HA GLU 58 -6.340 7.674 9.009 393 1HB GLU 58 1HB GLU 58 -4.197 8.943 10.702 394 2HB GLU 58 2HB GLU 58 -5.784 9.683 10.555 395 1HG GLU 58 1HG GLU 58 -5.033 7.075 11.804 396 2HG GLU 58 2HG GLU 58 -5.934 8.424 12.496 397 H ILE 59 H ILE 59 -3.644 8.384 7.309 398 HA ILE 59 HA ILE 59 -4.613 10.993 6.336 399 HB ILE 59 HB ILE 59 -1.982 9.578 6.143 400 1HG1 ILE 59 1HG1 ILE 59 -2.263 12.485 6.552 401 2HG1 ILE 59 2HG1 ILE 59 -2.847 11.450 7.849 402 1HG2 ILE 59 1HG2 ILE 59 -3.171 11.226 4.067 403 2HG2 ILE 59 2HG2 ILE 59 -1.630 11.856 4.645 404 3HG2 ILE 59 3HG2 ILE 59 -1.730 10.210 4.022 405 1HD1 ILE 59 1HD1 ILE 59 -0.244 10.664 6.865 406 2HD1 ILE 59 2HD1 ILE 59 -0.277 12.314 7.489 407 3HD1 ILE 59 3HD1 ILE 59 -0.793 10.977 8.512 408 H VAL 60 H VAL 60 -3.735 7.750 5.423 409 HA VAL 60 HA VAL 60 -4.607 8.160 2.687 410 HB VAL 60 HB VAL 60 -3.444 5.666 3.930 411 1HG1 VAL 60 1HG1 VAL 60 -4.026 6.548 1.132 412 2HG1 VAL 60 2HG1 VAL 60 -2.738 5.390 1.458 413 3HG1 VAL 60 3HG1 VAL 60 -4.397 5.015 1.919 414 1HG2 VAL 60 1HG2 VAL 60 -2.163 8.153 3.568 415 2HG2 VAL 60 2HG2 VAL 60 -1.418 6.592 3.921 416 3HG2 VAL 60 3HG2 VAL 60 -1.613 7.115 2.251 417 H GLY 61 H GLY 61 -5.044 5.203 4.598 418 1HA GLY 61 1HA GLY 61 -6.956 3.787 4.314 419 2HA GLY 61 2HA GLY 61 -7.402 4.936 5.565 420 H GLU 62 H GLU 62 -7.330 4.802 1.994 421 HA GLU 62 HA GLU 62 -9.699 6.466 1.899 422 1HB GLU 62 1HB GLU 62 -7.976 5.306 -0.281 423 2HB GLU 62 2HB GLU 62 -9.349 6.368 -0.565 424 1HG GLU 62 1HG GLU 62 -8.138 8.027 0.965 425 2HG GLU 62 2HG GLU 62 -6.721 7.007 0.722 426 H ALA 63 H ALA 63 -8.945 3.140 1.724 427 HA ALA 63 HA ALA 63 -10.852 2.100 0.043 428 1HB ALA 63 1HB ALA 63 -9.625 1.048 2.538 429 2HB ALA 63 2HB ALA 63 -11.008 0.197 1.835 430 3HB ALA 63 3HB ALA 63 -9.538 0.435 0.887 431 H ASN 64 H ASN 64 -12.939 1.569 0.128 432 HA ASN 64 HA ASN 64 -14.581 2.893 2.106 433 1HB ASN 64 1HB ASN 64 -16.319 2.708 0.511 434 2HB ASN 64 2HB ASN 64 -14.889 2.985 -0.464 435 1HD2 ASN 64 2HD2 ASN 64 -17.585 1.427 -0.651 436 2HD2 ASN 64 1HD2 ASN 64 -17.101 -0.051 -1.402 437 HA PRO 65 HA PRO 65 -16.051 -0.767 4.119 438 1HB PRO 65 1HB PRO 65 -18.676 -0.904 2.820 439 2HB PRO 65 2HB PRO 65 -18.276 -0.546 4.501 440 1HG PRO 65 1HG PRO 65 -19.203 1.330 2.778 441 2HG PRO 65 2HG PRO 65 -18.110 1.709 4.120 442 1HD PRO 65 1HD PRO 65 -17.500 1.434 1.207 443 2HD PRO 65 2HD PRO 65 -16.808 2.540 2.401 444 H ASP 66 H ASP 66 -15.603 -0.892 0.819 445 HA ASP 66 HA ASP 66 -16.530 -3.642 0.527 446 1HB ASP 66 1HB ASP 66 -15.684 -1.503 -1.347 447 2HB ASP 66 2HB ASP 66 -15.357 -3.160 -1.838 448 H GLU 67 H GLU 67 -13.499 -1.817 0.169 449 HA GLU 67 HA GLU 67 -11.818 -3.994 -0.289 450 1HB GLU 67 1HB GLU 67 -10.925 -1.597 1.286 451 2HB GLU 67 2HB GLU 67 -10.020 -2.541 0.109 452 1HG GLU 67 1HG GLU 67 -12.200 -0.543 -0.398 453 2HG GLU 67 2HG GLU 67 -10.518 -0.482 -0.920 454 H ASN 68 H ASN 68 -13.067 -2.656 2.699 455 HA ASN 68 HA ASN 68 -11.371 -4.147 4.432 456 1HB ASN 68 1HB ASN 68 -12.402 -2.177 5.313 457 2HB ASN 68 2HB ASN 68 -14.009 -2.744 4.872 458 1HD2 ASN 68 2HD2 ASN 68 -11.643 -4.890 6.219 459 2HD2 ASN 68 1HD2 ASN 68 -12.393 -5.077 7.765 460 H ASP 69 H ASP 69 -14.537 -4.680 3.001 461 HA ASP 69 HA ASP 69 -15.074 -7.076 4.483 462 1HB ASP 69 1HB ASP 69 -16.788 -5.511 3.379 463 2HB ASP 69 2HB ASP 69 -16.370 -6.316 1.870 464 H LEU 70 H LEU 70 -13.665 -6.309 1.356 465 HA LEU 70 HA LEU 70 -13.668 -8.895 0.263 466 1HB LEU 70 1HB LEU 70 -12.964 -6.477 -0.670 467 2HB LEU 70 2HB LEU 70 -11.369 -7.126 -0.339 468 HG LEU 70 HG LEU 70 -13.130 -8.944 -1.835 469 1HD1 LEU 70 1HD1 LEU 70 -13.540 -6.472 -2.634 470 2HD1 LEU 70 2HD1 LEU 70 -11.988 -6.713 -3.434 471 3HD1 LEU 70 3HD1 LEU 70 -13.340 -7.787 -3.792 472 1HD2 LEU 70 1HD2 LEU 70 -10.387 -8.556 -1.361 473 2HD2 LEU 70 2HD2 LEU 70 -11.149 -9.797 -2.356 474 3HD2 LEU 70 3HD2 LEU 70 -10.642 -8.273 -3.083 475 H LEU 71 H LEU 71 -11.190 -7.182 2.149 476 HA LEU 71 HA LEU 71 -9.364 -9.363 2.177 477 1HB LEU 71 1HB LEU 71 -9.565 -6.702 3.415 478 2HB LEU 71 2HB LEU 71 -8.683 -7.883 4.364 479 HG LEU 71 HG LEU 71 -7.181 -6.562 2.963 480 1HD1 LEU 71 1HD1 LEU 71 -7.384 -9.434 2.945 481 2HD1 LEU 71 2HD1 LEU 71 -6.611 -8.847 1.474 482 3HD1 LEU 71 3HD1 LEU 71 -5.954 -8.408 3.050 483 1HD2 LEU 71 1HD2 LEU 71 -8.974 -6.283 1.146 484 2HD2 LEU 71 2HD2 LEU 71 -7.295 -6.462 0.638 485 3HD2 LEU 71 3HD2 LEU 71 -8.398 -7.835 0.536 486 H GLN 72 H GLN 72 -12.036 -8.384 4.203 487 HA GLN 72 HA GLN 72 -11.425 -9.975 6.459 488 1HB GLN 72 1HB GLN 72 -13.885 -8.637 5.415 489 2HB GLN 72 2HB GLN 72 -14.049 -9.812 6.710 490 1HG GLN 72 1HG GLN 72 -11.936 -8.111 7.442 491 2HG GLN 72 2HG GLN 72 -13.231 -7.079 6.838 492 1HE2 GLN 72 2HE2 GLN 72 -12.865 -9.975 8.864 493 2HE2 GLN 72 1HE2 GLN 72 -13.960 -9.458 10.097 494 H SER 73 H SER 73 -12.932 -10.665 3.397 495 HA SER 73 HA SER 73 -13.948 -13.236 4.255 496 1HB SER 73 1HB SER 73 -15.103 -13.284 2.284 497 2HB SER 73 2HB SER 73 -14.795 -11.548 2.344 498 HG SER 73 HG SER 73 -12.733 -12.273 1.176 499 H THR 74 H THR 74 -10.951 -12.391 4.041 500 HA THR 74 HA THR 74 -9.963 -14.423 2.209 501 HB THR 74 HB THR 74 -7.755 -13.556 2.710 502 HG1 THR 74 HG1 THR 74 -7.873 -13.111 4.869 503 1HG2 THR 74 1HG2 THR 74 -9.817 -11.424 2.274 504 2HG2 THR 74 2HG2 THR 74 -8.085 -11.095 2.255 505 3HG2 THR 74 3HG2 THR 74 -8.782 -12.213 1.084 506 H GLY 75 H GLY 75 -10.604 -14.014 5.572 507 1HA GLY 75 1HA GLY 75 -10.700 -15.714 7.169 508 2HA GLY 75 2HA GLY 75 -9.839 -16.771 6.061 509 H GLU 76 H GLU 76 -8.580 -13.612 6.693 510 HA GLU 76 HA GLU 76 -6.651 -14.709 8.614 511 1HB GLU 76 1HB GLU 76 -6.082 -13.438 5.971 512 2HB GLU 76 2HB GLU 76 -4.965 -13.161 7.300 513 1HG GLU 76 1HG GLU 76 -4.965 -15.727 7.539 514 2HG GLU 76 2HG GLU 76 -5.644 -15.719 5.912 515 HA PRO 77 HA PRO 77 -7.501 -11.024 10.872 516 1HB PRO 77 1HB PRO 77 -5.158 -10.806 12.261 517 2HB PRO 77 2HB PRO 77 -6.437 -11.952 12.673 518 1HG PRO 77 1HG PRO 77 -3.905 -12.405 11.148 519 2HG PRO 77 2HG PRO 77 -4.675 -13.431 12.373 520 1HD PRO 77 1HD PRO 77 -4.875 -13.945 9.729 521 2HD PRO 77 2HD PRO 77 -6.188 -14.311 10.866 522 H MET 78 H MET 78 -7.322 -8.892 10.503 523 HA MET 78 HA MET 78 -5.291 -7.999 8.609 524 1HB MET 78 1HB MET 78 -7.333 -6.104 9.621 525 2HB MET 78 2HB MET 78 -6.737 -6.349 7.986 526 1HG MET 78 1HG MET 78 -8.055 -8.448 7.882 527 2HG MET 78 2HG MET 78 -8.733 -8.047 9.458 528 1HE MET 78 1HE MET 78 -8.319 -4.740 8.419 529 2HE MET 78 2HE MET 78 -10.009 -4.325 8.134 530 3HE MET 78 3HE MET 78 -9.544 -5.164 9.614 531 H THR 79 H THR 79 -4.826 -5.464 9.089 532 HA THR 79 HA THR 79 -4.025 -5.167 11.892 533 HB THR 79 HB THR 79 -1.826 -4.160 10.817 534 HG1 THR 79 HG1 THR 79 -2.685 -6.079 8.917 535 1HG2 THR 79 1HG2 THR 79 -2.378 -7.055 11.338 536 2HG2 THR 79 2HG2 THR 79 -0.777 -6.472 10.884 537 3HG2 THR 79 3HG2 THR 79 -1.543 -5.884 12.360 538 H ALA 80 H ALA 80 -2.983 -2.862 12.141 539 HA ALA 80 HA ALA 80 -4.975 -1.005 11.181 540 1HB ALA 80 1HB ALA 80 -2.604 -0.622 13.001 541 2HB ALA 80 2HB ALA 80 -3.784 0.630 12.610 542 3HB ALA 80 3HB ALA 80 -4.290 -0.821 13.478 543 H GLY 81 H GLY 81 -4.760 -0.325 9.144 544 1HA GLY 81 1HA GLY 81 -3.664 1.405 7.828 545 2HA GLY 81 2HA GLY 81 -2.127 0.752 8.358 546 H THR 82 H THR 82 -4.574 -1.513 7.556 547 HA THR 82 HA THR 82 -3.013 -2.430 5.304 548 HB THR 82 HB THR 82 -5.583 -3.755 5.827 549 HG1 THR 82 HG1 THR 82 -3.585 -3.951 7.809 550 1HG2 THR 82 1HG2 THR 82 -2.764 -4.521 5.361 551 2HG2 THR 82 2HG2 THR 82 -3.798 -5.651 6.234 552 3HG2 THR 82 3HG2 THR 82 -4.243 -5.121 4.611 553 H ARG 83 H ARG 83 -3.283 -1.421 3.427 554 HA ARG 83 HA ARG 83 -6.006 -1.087 2.397 555 1HB ARG 83 1HB ARG 83 -4.475 1.055 3.298 556 2HB ARG 83 2HB ARG 83 -4.245 1.076 1.555 557 1HG ARG 83 1HG ARG 83 -6.761 1.422 3.131 558 2HG ARG 83 2HG ARG 83 -6.079 2.452 1.870 559 1HD ARG 83 1HD ARG 83 -6.469 0.053 0.586 560 2HD ARG 83 2HD ARG 83 -7.863 0.158 1.657 561 HE ARG 83 HE ARG 83 -7.706 2.611 0.444 562 1HH1 ARG 83 1HH1 ARG 83 -8.000 -0.695 -0.593 563 2HH1 ARG 83 2HH1 ARG 83 -8.844 -0.303 -2.054 564 1HH2 ARG 83 1HH2 ARG 83 -8.816 3.150 -1.476 565 2HH2 ARG 83 2HH2 ARG 83 -9.309 1.890 -2.557 566 H LEU 84 H LEU 84 -6.224 -1.727 0.318 567 HA LEU 84 HA LEU 84 -4.461 -3.289 -1.007 568 1HB LEU 84 1HB LEU 84 -6.448 -1.355 -2.193 569 2HB LEU 84 2HB LEU 84 -5.600 -2.564 -3.137 570 HG LEU 84 HG LEU 84 -7.851 -2.881 -1.237 571 1HD1 LEU 84 1HD1 LEU 84 -7.023 -3.825 -3.919 572 2HD1 LEU 84 2HD1 LEU 84 -8.062 -4.886 -2.967 573 3HD1 LEU 84 3HD1 LEU 84 -8.589 -3.247 -3.351 574 1HD2 LEU 84 1HD2 LEU 84 -6.004 -4.136 -0.158 575 2HD2 LEU 84 2HD2 LEU 84 -7.320 -5.168 -0.716 576 3HD2 LEU 84 3HD2 LEU 84 -5.821 -5.073 -1.641 577 H SER 85 H SER 85 -3.018 -2.997 -2.788 578 HA SER 85 HA SER 85 -1.419 -0.589 -2.501 579 1HB SER 85 1HB SER 85 0.220 -2.091 -2.740 580 2HB SER 85 2HB SER 85 -0.928 -3.339 -3.212 581 HG SER 85 HG SER 85 0.670 -1.712 -4.777 582 H CYS 86 H CYS 86 -3.533 -2.091 -4.838 583 HA CYS 86 HA CYS 86 -2.830 -0.027 -6.809 584 1HB CYS 86 1HB CYS 86 -3.678 -1.429 -8.501 585 2HB CYS 86 2HB CYS 86 -2.809 -2.511 -7.422 586 H GLN 87 H GLN 87 -4.600 0.258 -4.386 587 HA GLN 87 HA GLN 87 -6.957 1.261 -5.834 588 1HB GLN 87 1HB GLN 87 -6.954 -0.792 -3.942 589 2HB GLN 87 2HB GLN 87 -7.542 0.621 -3.080 590 1HG GLN 87 1HG GLN 87 -8.696 -0.651 -5.539 591 2HG GLN 87 2HG GLN 87 -9.434 -0.492 -3.945 592 1HE2 GLN 87 2HE2 GLN 87 -10.813 1.108 -3.684 593 2HE2 GLN 87 1HE2 GLN 87 -10.928 2.524 -4.668 594 H VAL 88 H VAL 88 -4.452 1.888 -3.542 595 HA VAL 88 HA VAL 88 -5.800 4.293 -2.579 596 HB VAL 88 HB VAL 88 -3.339 2.794 -1.731 597 1HG1 VAL 88 1HG1 VAL 88 -2.765 5.190 -1.828 598 2HG1 VAL 88 2HG1 VAL 88 -4.104 5.529 -0.730 599 3HG1 VAL 88 3HG1 VAL 88 -2.748 4.539 -0.188 600 1HG2 VAL 88 1HG2 VAL 88 -5.568 2.152 -0.870 601 2HG2 VAL 88 2HG2 VAL 88 -4.445 2.660 0.392 602 3HG2 VAL 88 3HG2 VAL 88 -5.715 3.757 -0.152 603 H PHE 89 H PHE 89 -5.623 5.971 -3.982 604 HA PHE 89 HA PHE 89 -3.062 6.284 -5.378 605 1HB PHE 89 1HB PHE 89 -5.692 7.581 -6.046 606 2HB PHE 89 2HB PHE 89 -4.236 7.585 -7.034 607 HD1 PHE 89 HD1 PHE 89 -3.826 4.581 -5.929 608 HD2 PHE 89 HD2 PHE 89 -6.787 6.661 -8.165 609 HE1 PHE 89 HE1 PHE 89 -4.538 2.450 -6.943 610 HE2 PHE 89 HE2 PHE 89 -7.507 4.540 -9.202 611 HZ PHE 89 HZ PHE 89 -6.378 2.429 -8.593 612 H ILE 90 H ILE 90 -1.878 8.027 -5.303 613 HA ILE 90 HA ILE 90 -1.753 9.591 -3.060 614 HB ILE 90 HB ILE 90 -0.652 10.092 -5.817 615 1HG1 ILE 90 1HG1 ILE 90 -0.083 8.033 -4.214 616 2HG1 ILE 90 2HG1 ILE 90 1.150 8.821 -5.197 617 1HG2 ILE 90 1HG2 ILE 90 -0.193 11.487 -3.213 618 2HG2 ILE 90 2HG2 ILE 90 1.064 11.394 -4.439 619 3HG2 ILE 90 3HG2 ILE 90 -0.465 12.191 -4.799 620 1HD1 ILE 90 1HD1 ILE 90 1.747 10.242 -3.262 621 2HD1 ILE 90 2HD1 ILE 90 0.572 9.329 -2.296 622 3HD1 ILE 90 3HD1 ILE 90 1.977 8.508 -2.971 623 H ASP 91 H ASP 91 -2.269 11.618 -2.518 624 HA ASP 91 HA ASP 91 -3.617 13.475 -4.207 625 1HB ASP 91 1HB ASP 91 -5.513 13.578 -2.459 626 2HB ASP 91 2HB ASP 91 -5.529 12.200 -3.550 627 HA PRO 92 HA PRO 92 -1.130 16.255 -1.845 628 1HB PRO 92 1HB PRO 92 -3.809 17.518 -1.301 629 2HB PRO 92 2HB PRO 92 -2.266 18.300 -1.679 630 1HG PRO 92 1HG PRO 92 -4.069 17.947 -3.601 631 2HG PRO 92 2HG PRO 92 -2.349 17.672 -3.931 632 1HD PRO 92 1HD PRO 92 -4.547 15.725 -3.642 633 2HD PRO 92 2HD PRO 92 -3.033 15.573 -4.545 634 H SER 93 H SER 93 -3.999 14.782 -0.592 635 HA SER 93 HA SER 93 -3.669 15.235 2.168 636 1HB SER 93 1HB SER 93 -5.072 12.881 1.884 637 2HB SER 93 2HB SER 93 -5.771 14.496 1.891 638 HG SER 93 HG SER 93 -6.296 13.114 0.035 639 H MET 94 H MET 94 -2.103 13.014 0.023 640 HA MET 94 HA MET 94 -0.922 11.626 2.320 641 1HB MET 94 1HB MET 94 -1.831 10.338 -0.262 642 2HB MET 94 2HB MET 94 -1.009 9.518 1.056 643 1HG MET 94 1HG MET 94 -2.870 9.359 2.293 644 2HG MET 94 2HG MET 94 -3.454 10.947 1.812 645 1HE MET 94 1HE MET 94 -2.370 7.815 -0.192 646 2HE MET 94 2HE MET 94 -3.666 7.673 -1.379 647 3HE MET 94 3HE MET 94 -2.587 9.067 -1.414 648 H ASP 95 H ASP 95 0.315 13.713 1.261 649 HA ASP 95 HA ASP 95 2.138 12.828 -0.756 650 1HB ASP 95 1HB ASP 95 1.815 15.503 0.618 651 2HB ASP 95 2HB ASP 95 2.910 15.182 -0.707 652 H GLY 96 H GLY 96 4.198 12.209 -0.306 653 1HA GLY 96 1HA GLY 96 6.096 11.817 1.002 654 2HA GLY 96 2HA GLY 96 5.435 12.922 2.202 655 H LEU 97 H LEU 97 3.619 10.327 0.791 656 HA LEU 97 HA LEU 97 2.895 9.318 3.333 657 1HB LEU 97 1HB LEU 97 1.238 8.240 2.270 658 2HB LEU 97 2HB LEU 97 1.658 9.344 0.978 659 HG LEU 97 HG LEU 97 3.288 7.077 0.604 660 1HD1 LEU 97 1HD1 LEU 97 1.316 6.189 2.187 661 2HD1 LEU 97 2HD1 LEU 97 0.526 6.045 0.617 662 3HD1 LEU 97 3HD1 LEU 97 2.052 5.214 0.915 663 1HD2 LEU 97 1HD2 LEU 97 2.196 8.658 -1.045 664 2HD2 LEU 97 2HD2 LEU 97 2.177 6.949 -1.479 665 3HD2 LEU 97 3HD2 LEU 97 0.723 7.712 -0.832 666 H ILE 98 H ILE 98 3.388 7.471 4.354 667 HA ILE 98 HA ILE 98 5.785 6.123 3.352 668 HB ILE 98 HB ILE 98 4.794 6.256 6.177 669 1HG1 ILE 98 1HG1 ILE 98 6.764 7.663 6.579 670 2HG1 ILE 98 2HG1 ILE 98 7.166 7.576 4.863 671 1HG2 ILE 98 1HG2 ILE 98 6.308 4.274 5.089 672 2HG2 ILE 98 2HG2 ILE 98 7.538 5.386 5.694 673 3HG2 ILE 98 3HG2 ILE 98 6.319 4.738 6.791 674 1HD1 ILE 98 1HD1 ILE 98 4.451 8.427 5.370 675 2HD1 ILE 98 2HD1 ILE 98 5.660 9.519 6.046 676 3HD1 ILE 98 3HD1 ILE 98 5.681 9.123 4.328 677 H VAL 99 H VAL 99 5.674 4.145 2.711 678 HA VAL 99 HA VAL 99 3.409 2.536 3.558 679 HB VAL 99 HB VAL 99 4.859 1.724 1.158 680 1HG1 VAL 99 1HG1 VAL 99 2.194 1.583 2.408 681 2HG1 VAL 99 2HG1 VAL 99 2.252 1.547 0.639 682 3HG1 VAL 99 3HG1 VAL 99 3.136 0.337 1.574 683 1HG2 VAL 99 1HG2 VAL 99 3.607 4.352 1.444 684 2HG2 VAL 99 2HG2 VAL 99 4.672 3.741 0.181 685 3HG2 VAL 99 3HG2 VAL 99 2.945 3.394 0.120 686 H ARG 100 H ARG 100 3.846 0.122 3.489 687 HA ARG 100 HA ARG 100 6.554 -0.768 3.787 688 1HB ARG 100 1HB ARG 100 5.024 -1.296 6.263 689 2HB ARG 100 2HB ARG 100 6.747 -1.023 6.045 690 1HG ARG 100 1HG ARG 100 6.365 1.366 5.859 691 2HG ARG 100 2HG ARG 100 4.625 1.115 6.005 692 1HD ARG 100 1HD ARG 100 6.724 1.125 8.059 693 2HD ARG 100 2HD ARG 100 5.014 1.529 8.182 694 HE ARG 100 HE ARG 100 6.223 -0.949 8.845 695 1HH1 ARG 100 1HH1 ARG 100 3.330 0.435 7.484 696 2HH1 ARG 100 2HH1 ARG 100 2.312 -0.874 7.985 697 1HH2 ARG 100 1HH2 ARG 100 4.895 -2.674 9.512 698 2HH2 ARG 100 2HH2 ARG 100 3.203 -2.643 9.141 699 H VAL 101 H VAL 101 6.687 -3.119 4.132 700 HA VAL 101 HA VAL 101 4.251 -4.450 3.169 701 HB VAL 101 HB VAL 101 7.124 -5.389 3.156 702 1HG1 VAL 101 1HG1 VAL 101 5.443 -7.210 3.408 703 2HG1 VAL 101 2HG1 VAL 101 4.734 -6.699 1.875 704 3HG1 VAL 101 3HG1 VAL 101 6.392 -7.301 1.924 705 1HG2 VAL 101 1HG2 VAL 101 6.269 -3.515 1.559 706 2HG2 VAL 101 2HG2 VAL 101 7.238 -4.842 0.918 707 3HG2 VAL 101 3HG2 VAL 101 5.486 -4.852 0.717 708 HA PRO 102 HA PRO 102 3.434 -6.362 7.075 709 1HB PRO 102 1HB PRO 102 2.536 -8.802 6.100 710 2HB PRO 102 2HB PRO 102 1.544 -7.359 6.322 711 1HG PRO 102 1HG PRO 102 2.835 -8.412 3.849 712 2HG PRO 102 2HG PRO 102 1.252 -7.637 4.047 713 1HD PRO 102 1HD PRO 102 3.330 -6.299 3.018 714 2HD PRO 102 2HD PRO 102 2.167 -5.500 4.095 715 H LEU 103 H LEU 103 3.635 -8.823 7.895 716 HA LEU 103 HA LEU 103 6.492 -9.431 7.618 717 1HB LEU 103 1HB LEU 103 6.038 -9.006 9.859 718 2HB LEU 103 2HB LEU 103 4.495 -9.837 9.809 719 HG LEU 103 HG LEU 103 6.464 -11.780 9.246 720 1HD1 LEU 103 1HD1 LEU 103 7.507 -9.683 10.903 721 2HD1 LEU 103 2HD1 LEU 103 7.368 -11.179 11.827 722 3HD1 LEU 103 3HD1 LEU 103 8.297 -11.152 10.327 723 1HD2 LEU 103 1HD2 LEU 103 4.221 -11.403 10.878 724 2HD2 LEU 103 2HD2 LEU 103 5.118 -12.898 10.611 725 3HD2 LEU 103 3HD2 LEU 103 5.539 -11.847 11.963 726 HA PRO 104 HA PRO 104 5.249 -13.254 5.688 727 1HB PRO 104 1HB PRO 104 7.659 -13.913 4.745 728 2HB PRO 104 2HB PRO 104 6.766 -12.537 4.087 729 1HG PRO 104 1HG PRO 104 9.117 -12.576 5.897 730 2HG PRO 104 2HG PRO 104 8.645 -11.371 4.689 731 1HD PRO 104 1HD PRO 104 8.208 -11.261 7.495 732 2HD PRO 104 2HD PRO 104 7.597 -10.135 6.270 733 H ALA 105 H ALA 105 4.800 -14.988 6.915 734 HA ALA 105 HA ALA 105 6.999 -16.398 8.220 735 1HB ALA 105 1HB ALA 105 5.476 -14.763 9.745 736 2HB ALA 105 2HB ALA 105 4.571 -16.272 9.872 737 3HB ALA 105 3HB ALA 105 6.271 -16.220 10.340 Start of MODEL 15 1 2H PRO 1 2H PRO 1 4.525 15.030 -5.557 2 1H PRO 1 1H PRO 1 5.244 13.557 -5.740 3 HA PRO 1 HA PRO 1 5.053 15.098 -3.550 4 1HB PRO 1 1HB PRO 1 3.969 12.440 -2.838 5 2HB PRO 1 2HB PRO 1 3.671 14.001 -2.109 6 1HG PRO 1 1HG PRO 1 1.825 12.998 -3.594 7 2HG PRO 1 2HG PRO 1 2.274 14.696 -3.845 8 1HD PRO 1 1HD PRO 1 3.258 12.278 -5.358 9 2HD PRO 1 2HD PRO 1 2.484 13.722 -6.016 10 H ARG 2 H ARG 2 5.664 13.301 -1.659 11 HA ARG 2 HA ARG 2 8.064 11.907 -2.711 12 1HB ARG 2 1HB ARG 2 8.548 13.936 -1.278 13 2HB ARG 2 2HB ARG 2 7.758 13.104 0.054 14 1HG ARG 2 1HG ARG 2 9.632 12.038 0.544 15 2HG ARG 2 2HG ARG 2 9.718 11.374 -1.088 16 1HD ARG 2 1HD ARG 2 11.620 12.566 -1.215 17 2HD ARG 2 2HD ARG 2 10.531 13.916 -1.532 18 HE ARG 2 HE ARG 2 11.105 14.801 0.494 19 1HH1 ARG 2 1HH1 ARG 2 12.010 11.436 0.434 20 2HH1 ARG 2 2HH1 ARG 2 12.856 11.503 1.945 21 1HH2 ARG 2 1HH2 ARG 2 12.216 14.898 2.485 22 2HH2 ARG 2 2HH2 ARG 2 12.970 13.469 3.111 23 H VAL 3 H VAL 3 8.638 9.881 -1.339 24 HA VAL 3 HA VAL 3 6.477 9.000 0.327 25 HB VAL 3 HB VAL 3 6.614 8.297 -2.500 26 1HG1 VAL 3 1HG1 VAL 3 7.314 6.175 -1.129 27 2HG1 VAL 3 2HG1 VAL 3 5.586 6.125 -0.809 28 3HG1 VAL 3 3HG1 VAL 3 6.169 6.118 -2.475 29 1HG2 VAL 3 1HG2 VAL 3 4.681 8.633 -0.337 30 2HG2 VAL 3 2HG2 VAL 3 4.637 9.191 -2.019 31 3HG2 VAL 3 3HG2 VAL 3 4.259 7.510 -1.637 32 H VAL 4 H VAL 4 6.753 6.752 1.060 33 HA VAL 4 HA VAL 4 9.435 5.732 0.840 34 HB VAL 4 HB VAL 4 8.484 6.957 3.397 35 1HG1 VAL 4 1HG1 VAL 4 9.945 4.439 3.089 36 2HG1 VAL 4 2HG1 VAL 4 10.775 5.625 4.099 37 3HG1 VAL 4 3HG1 VAL 4 9.138 5.112 4.506 38 1HG2 VAL 4 1HG2 VAL 4 10.822 7.139 1.577 39 2HG2 VAL 4 2HG2 VAL 4 9.905 8.424 2.363 40 3HG2 VAL 4 3HG2 VAL 4 11.067 7.475 3.291 41 H PHE 5 H PHE 5 9.157 3.767 0.418 42 HA PHE 5 HA PHE 5 6.923 2.202 1.509 43 1HB PHE 5 1HB PHE 5 9.029 1.693 -0.581 44 2HB PHE 5 2HB PHE 5 7.922 0.455 -0.035 45 HD1 PHE 5 HD1 PHE 5 6.724 3.971 -0.595 46 HD2 PHE 5 HD2 PHE 5 7.160 0.038 -2.166 47 HE1 PHE 5 HE1 PHE 5 5.257 4.535 -2.459 48 HE2 PHE 5 HE2 PHE 5 5.686 0.572 -3.982 49 HZ PHE 5 HZ PHE 5 4.693 2.823 -4.155 50 H ILE 6 H ILE 6 7.653 -0.169 1.930 51 HA ILE 6 HA ILE 6 10.234 -0.494 3.138 52 HB ILE 6 HB ILE 6 7.873 -1.277 4.779 53 1HG1 ILE 6 1HG1 ILE 6 7.866 1.211 4.171 54 2HG1 ILE 6 2HG1 ILE 6 7.791 0.811 5.880 55 1HG2 ILE 6 1HG2 ILE 6 10.778 -1.083 5.003 56 2HG2 ILE 6 2HG2 ILE 6 9.874 -0.608 6.441 57 3HG2 ILE 6 3HG2 ILE 6 9.653 -2.214 5.749 58 1HD1 ILE 6 1HD1 ILE 6 10.502 1.089 5.031 59 2HD1 ILE 6 2HD1 ILE 6 9.565 2.504 4.558 60 3HD1 ILE 6 3HD1 ILE 6 9.613 2.002 6.249 61 H ASP 7 H ASP 7 10.588 -2.790 3.787 62 HA ASP 7 HA ASP 7 8.774 -4.808 3.012 63 1HB ASP 7 1HB ASP 7 9.733 -3.746 0.802 64 2HB ASP 7 2HB ASP 7 11.118 -4.773 1.164 65 H GLU 8 H GLU 8 10.000 -6.964 2.771 66 HA GLU 8 HA GLU 8 11.730 -7.179 5.086 67 1HB GLU 8 1HB GLU 8 9.694 -8.726 4.182 68 2HB GLU 8 2HB GLU 8 11.071 -9.595 3.525 69 1HG GLU 8 1HG GLU 8 11.607 -8.917 6.243 70 2HG GLU 8 2HG GLU 8 10.027 -9.692 6.131 71 H GLN 9 H GLN 9 12.195 -6.637 1.867 72 HA GLN 9 HA GLN 9 14.543 -8.327 1.560 73 1HB GLN 9 1HB GLN 9 12.824 -6.729 -0.216 74 2HB GLN 9 2HB GLN 9 14.534 -6.665 -0.616 75 1HG GLN 9 1HG GLN 9 13.130 -9.273 -0.175 76 2HG GLN 9 2HG GLN 9 13.100 -8.456 -1.736 77 1HE2 GLN 9 2HE2 GLN 9 14.584 -9.122 -3.098 78 2HE2 GLN 9 1HE2 GLN 9 16.139 -9.755 -2.691 79 H SER 10 H SER 10 13.716 -4.929 2.000 80 HA SER 10 HA SER 10 16.551 -4.410 2.579 81 1HB SER 10 1HB SER 10 16.636 -3.115 0.744 82 2HB SER 10 2HB SER 10 14.886 -3.174 0.530 83 HG SER 10 HG SER 10 14.656 -1.423 1.802 84 H GLY 11 H GLY 11 13.476 -4.452 3.783 85 1HA GLY 11 1HA GLY 11 12.545 -3.582 5.704 86 2HA GLY 11 2HA GLY 11 14.180 -3.162 6.178 87 H GLU 12 H GLU 12 13.114 -1.889 3.218 88 HA GLU 12 HA GLU 12 11.675 0.357 3.826 89 1HB GLU 12 1HB GLU 12 13.241 1.225 5.330 90 2HB GLU 12 2HB GLU 12 14.608 0.746 4.329 91 1HG GLU 12 1HG GLU 12 14.070 2.443 2.706 92 2HG GLU 12 2HG GLU 12 12.610 2.872 3.592 93 H TYR 13 H TYR 13 11.306 1.615 2.085 94 HA TYR 13 HA TYR 13 13.028 1.376 -0.239 95 1HB TYR 13 1HB TYR 13 10.200 0.385 -0.086 96 2HB TYR 13 2HB TYR 13 10.937 0.833 -1.624 97 HD1 TYR 13 HD1 TYR 13 11.435 -1.334 1.351 98 HD2 TYR 13 HD2 TYR 13 12.264 -0.678 -2.754 99 HE1 TYR 13 HE1 TYR 13 12.517 -3.547 1.229 100 HE2 TYR 13 HE2 TYR 13 13.329 -2.867 -2.920 101 HH TYR 13 HH TYR 13 14.153 -4.620 -1.725 102 H ALA 14 H ALA 14 13.122 3.607 0.904 103 HA ALA 14 HA ALA 14 11.150 5.518 0.772 104 1HB ALA 14 1HB ALA 14 14.124 5.667 0.615 105 2HB ALA 14 2HB ALA 14 13.161 7.123 0.373 106 3HB ALA 14 3HB ALA 14 13.035 6.225 1.886 107 H VAL 15 H VAL 15 10.405 6.971 -0.715 108 HA VAL 15 HA VAL 15 11.497 7.185 -3.335 109 HB VAL 15 HB VAL 15 10.362 4.940 -3.292 110 1HG1 VAL 15 1HG1 VAL 15 7.889 6.656 -3.189 111 2HG1 VAL 15 2HG1 VAL 15 7.909 4.986 -3.797 112 3HG1 VAL 15 3HG1 VAL 15 8.358 5.317 -2.128 113 1HG2 VAL 15 1HG2 VAL 15 10.425 6.974 -5.296 114 2HG2 VAL 15 2HG2 VAL 15 10.600 5.238 -5.477 115 3HG2 VAL 15 3HG2 VAL 15 8.993 5.962 -5.507 116 H ASP 16 H ASP 16 9.037 7.728 -4.578 117 HA ASP 16 HA ASP 16 7.703 9.826 -3.212 118 1HB ASP 16 1HB ASP 16 9.018 10.547 -5.763 119 2HB ASP 16 2HB ASP 16 8.439 11.603 -4.488 120 H ALA 17 H ALA 17 6.053 10.710 -4.623 121 HA ALA 17 HA ALA 17 5.421 9.020 -6.919 122 1HB ALA 17 1HB ALA 17 4.492 8.479 -4.466 123 2HB ALA 17 2HB ALA 17 3.230 9.576 -5.085 124 3HB ALA 17 3HB ALA 17 3.628 8.094 -5.971 125 H GLN 18 H GLN 18 3.044 9.853 -7.621 126 HA GLN 18 HA GLN 18 3.005 12.781 -7.612 127 1HB GLN 18 1HB GLN 18 2.535 11.372 -10.209 128 2HB GLN 18 2HB GLN 18 3.050 13.027 -9.917 129 1HG GLN 18 1HG GLN 18 5.255 12.428 -9.598 130 2HG GLN 18 2HG GLN 18 4.850 10.760 -9.196 131 1HE2 GLN 18 2HE2 GLN 18 6.538 10.245 -10.742 132 2HE2 GLN 18 1HE2 GLN 18 6.156 10.194 -12.425 133 H ASP 19 H ASP 19 0.993 13.578 -7.377 134 HA ASP 19 HA ASP 19 -1.169 12.238 -6.573 135 1HB ASP 19 1HB ASP 19 -1.563 14.475 -8.514 136 2HB ASP 19 2HB ASP 19 -2.524 14.080 -7.103 137 H GLY 20 H GLY 20 -1.995 10.447 -7.287 138 1HA GLY 20 1HA GLY 20 -3.670 9.641 -8.930 139 2HA GLY 20 2HA GLY 20 -2.576 10.233 -10.172 140 H GLN 21 H GLN 21 -0.617 9.023 -7.797 141 HA GLN 21 HA GLN 21 -0.558 6.387 -9.120 142 1HB GLN 21 1HB GLN 21 1.683 7.999 -7.899 143 2HB GLN 21 2HB GLN 21 1.853 6.332 -8.431 144 1HG GLN 21 1HG GLN 21 1.716 6.880 -10.654 145 2HG GLN 21 2HG GLN 21 0.816 8.358 -10.339 146 1HE2 GLN 21 2HE2 GLN 21 3.530 7.786 -8.363 147 2HE2 GLN 21 1HE2 GLN 21 4.597 8.909 -9.114 148 H SER 22 H SER 22 -0.440 4.554 -7.903 149 HA SER 22 HA SER 22 -1.211 4.838 -5.114 150 1HB SER 22 1HB SER 22 -2.203 2.792 -5.338 151 2HB SER 22 2HB SER 22 -2.065 3.142 -7.058 152 HG SER 22 HG SER 22 -0.736 1.295 -5.519 153 H LEU 23 H LEU 23 -0.254 2.724 -3.814 154 HA LEU 23 HA LEU 23 2.642 3.260 -3.762 155 1HB LEU 23 1HB LEU 23 0.800 1.901 -1.797 156 2HB LEU 23 2HB LEU 23 2.544 1.926 -1.618 157 HG LEU 23 HG LEU 23 1.874 3.673 -0.259 158 1HD1 LEU 23 1HD1 LEU 23 3.385 4.267 -2.391 159 2HD1 LEU 23 2HD1 LEU 23 2.070 5.419 -2.624 160 3HD1 LEU 23 3HD1 LEU 23 2.994 5.424 -1.122 161 1HD2 LEU 23 1HD2 LEU 23 -0.514 3.552 -1.166 162 2HD2 LEU 23 2HD2 LEU 23 0.065 5.118 -0.599 163 3HD2 LEU 23 3HD2 LEU 23 0.001 4.774 -2.327 164 H MET 24 H MET 24 1.109 1.486 -5.677 165 HA MET 24 HA MET 24 2.629 -0.992 -5.223 166 1HB MET 24 1HB MET 24 1.021 -2.166 -6.507 167 2HB MET 24 2HB MET 24 0.093 -1.123 -5.438 168 1HG MET 24 1HG MET 24 -1.014 -0.635 -7.324 169 2HG MET 24 2HG MET 24 0.318 0.493 -7.564 170 1HE MET 24 1HE MET 24 -1.272 0.005 -9.860 171 2HE MET 24 2HE MET 24 0.318 0.612 -10.322 172 3HE MET 24 3HE MET 24 -0.375 -0.774 -11.164 173 H GLU 25 H GLU 25 2.063 1.718 -7.272 174 HA GLU 25 HA GLU 25 3.699 0.639 -9.421 175 1HB GLU 25 1HB GLU 25 1.788 1.837 -10.205 176 2HB GLU 25 2HB GLU 25 2.116 3.190 -9.132 177 1HG GLU 25 1HG GLU 25 3.187 4.184 -10.789 178 2HG GLU 25 2HG GLU 25 4.400 2.903 -10.731 179 H VAL 26 H VAL 26 3.869 3.213 -6.952 180 HA VAL 26 HA VAL 26 6.204 4.388 -7.859 181 HB VAL 26 HB VAL 26 6.357 3.842 -4.976 182 1HG1 VAL 26 1HG1 VAL 26 7.583 5.470 -6.502 183 2HG1 VAL 26 2HG1 VAL 26 6.132 6.451 -6.388 184 3HG1 VAL 26 3HG1 VAL 26 7.031 6.048 -4.935 185 1HG2 VAL 26 1HG2 VAL 26 3.891 3.959 -5.341 186 2HG2 VAL 26 2HG2 VAL 26 4.596 5.166 -4.271 187 3HG2 VAL 26 3HG2 VAL 26 4.148 5.605 -5.923 188 H ALA 27 H ALA 27 5.820 1.718 -5.653 189 HA ALA 27 HA ALA 27 8.137 0.742 -5.040 190 1HB ALA 27 1HB ALA 27 5.651 -0.453 -5.525 191 2HB ALA 27 2HB ALA 27 6.856 -1.477 -6.309 192 3HB ALA 27 3HB ALA 27 6.994 -1.109 -4.586 193 H THR 28 H THR 28 6.839 -0.613 -8.020 194 HA THR 28 HA THR 28 9.162 -1.652 -9.017 195 HB THR 28 HB THR 28 7.993 -2.115 -10.890 196 HG1 THR 28 HG1 THR 28 6.635 -0.365 -11.874 197 1HG2 THR 28 1HG2 THR 28 6.262 -2.224 -9.033 198 2HG2 THR 28 2HG2 THR 28 5.630 -0.722 -9.705 199 3HG2 THR 28 3HG2 THR 28 5.677 -2.180 -10.696 200 H GLN 29 H GLN 29 8.093 1.649 -9.005 201 HA GLN 29 HA GLN 29 10.155 2.553 -10.815 202 1HB GLN 29 1HB GLN 29 8.402 4.196 -8.989 203 2HB GLN 29 2HB GLN 29 9.347 4.793 -10.346 204 1HG GLN 29 1HG GLN 29 7.737 2.800 -11.427 205 2HG GLN 29 2HG GLN 29 6.696 3.666 -10.297 206 1HE2 GLN 29 2HE2 GLN 29 5.893 3.894 -12.742 207 2HE2 GLN 29 1HE2 GLN 29 6.314 5.410 -13.456 208 H ASN 30 H ASN 30 9.752 2.220 -7.382 209 HA ASN 30 HA ASN 30 12.119 3.782 -6.752 210 1HB ASN 30 1HB ASN 30 10.963 2.113 -4.632 211 2HB ASN 30 2HB ASN 30 11.311 3.823 -4.629 212 1HD2 ASN 30 2HD2 ASN 30 8.914 2.291 -3.765 213 2HD2 ASN 30 1HD2 ASN 30 7.608 2.982 -4.602 214 H GLY 31 H GLY 31 11.797 0.842 -8.045 215 1HA GLY 31 1HA GLY 31 13.435 -0.812 -8.291 216 2HA GLY 31 2HA GLY 31 14.333 -0.081 -6.964 217 H VAL 32 H VAL 32 11.356 -0.197 -5.823 218 HA VAL 32 HA VAL 32 11.689 -2.068 -3.867 219 HB VAL 32 HB VAL 32 9.035 -1.407 -5.085 220 1HG1 VAL 32 1HG1 VAL 32 9.916 -2.118 -2.335 221 2HG1 VAL 32 2HG1 VAL 32 8.456 -1.158 -2.600 222 3HG1 VAL 32 3HG1 VAL 32 8.579 -2.773 -3.296 223 1HG2 VAL 32 1HG2 VAL 32 10.878 0.365 -3.559 224 2HG2 VAL 32 2HG2 VAL 32 9.946 0.710 -5.018 225 3HG2 VAL 32 3HG2 VAL 32 9.127 0.578 -3.461 226 HA PRO 33 HA PRO 33 11.159 -6.065 -5.611 227 1HB PRO 33 1HB PRO 33 9.393 -6.834 -3.366 228 2HB PRO 33 2HB PRO 33 11.000 -7.439 -3.791 229 1HG PRO 33 1HG PRO 33 10.688 -5.863 -1.653 230 2HG PRO 33 2HG PRO 33 12.090 -5.659 -2.725 231 1HD PRO 33 1HD PRO 33 9.504 -4.150 -2.701 232 2HD PRO 33 2HD PRO 33 11.145 -3.509 -2.677 233 H GLY 34 H GLY 34 8.610 -3.977 -5.496 234 1HA GLY 34 1HA GLY 34 6.415 -4.040 -6.229 235 2HA GLY 34 2HA GLY 34 7.195 -4.810 -7.601 236 H ILE 35 H ILE 35 6.286 -5.810 -4.294 237 HA ILE 35 HA ILE 35 5.397 -8.368 -5.368 238 HB ILE 35 HB ILE 35 5.135 -7.696 -2.474 239 1HG1 ILE 35 1HG1 ILE 35 7.701 -7.962 -3.997 240 2HG1 ILE 35 2HG1 ILE 35 7.305 -6.883 -2.664 241 1HG2 ILE 35 1HG2 ILE 35 4.408 -9.868 -3.466 242 2HG2 ILE 35 2HG2 ILE 35 6.096 -10.190 -3.863 243 3HG2 ILE 35 3HG2 ILE 35 5.603 -10.023 -2.178 244 1HD1 ILE 35 1HD1 ILE 35 7.142 -9.210 -1.377 245 2HD1 ILE 35 2HD1 ILE 35 8.296 -9.662 -2.631 246 3HD1 ILE 35 3HD1 ILE 35 8.650 -8.312 -1.553 247 H VAL 36 H VAL 36 3.847 -6.355 -6.297 248 HA VAL 36 HA VAL 36 1.252 -7.065 -5.251 249 HB VAL 36 HB VAL 36 0.637 -4.542 -5.155 250 1HG1 VAL 36 1HG1 VAL 36 1.364 -6.443 -3.233 251 2HG1 VAL 36 2HG1 VAL 36 2.146 -4.940 -2.742 252 3HG1 VAL 36 3HG1 VAL 36 0.402 -4.985 -2.993 253 1HG2 VAL 36 1HG2 VAL 36 3.603 -4.496 -5.138 254 2HG2 VAL 36 2HG2 VAL 36 2.454 -3.317 -5.771 255 3HG2 VAL 36 3HG2 VAL 36 2.765 -3.403 -4.038 256 H ALA 37 H ALA 37 1.476 -7.928 -7.504 257 HA ALA 37 HA ALA 37 0.181 -6.109 -9.340 258 1HB ALA 37 1HB ALA 37 2.866 -7.304 -10.019 259 2HB ALA 37 2HB ALA 37 1.805 -6.478 -11.158 260 3HB ALA 37 3HB ALA 37 2.501 -5.592 -9.802 261 H GLU 38 H GLU 38 -1.291 -7.946 -8.548 262 HA GLU 38 HA GLU 38 -0.891 -10.426 -10.036 263 1HB GLU 38 1HB GLU 38 -1.568 -10.468 -7.629 264 2HB GLU 38 2HB GLU 38 -3.095 -9.729 -8.092 265 1HG GLU 38 1HG GLU 38 -3.323 -12.130 -7.805 266 2HG GLU 38 2HG GLU 38 -3.625 -11.656 -9.477 267 H CYS 39 H CYS 39 -3.350 -7.886 -9.638 268 HA CYS 39 HA CYS 39 -4.593 -8.786 -12.144 269 1HB CYS 39 1HB CYS 39 -6.611 -7.768 -11.442 270 2HB CYS 39 2HB CYS 39 -5.979 -8.591 -10.019 271 H GLY 40 H GLY 40 -2.303 -6.693 -11.230 272 1HA GLY 40 1HA GLY 40 -1.324 -4.936 -12.350 273 2HA GLY 40 2HA GLY 40 -2.547 -5.118 -13.597 274 H GLY 41 H GLY 41 -2.560 -4.189 -10.146 275 1HA GLY 41 1HA GLY 41 -3.859 -2.565 -9.105 276 2HA GLY 41 2HA GLY 41 -2.975 -1.542 -10.228 277 H SER 42 H SER 42 -5.717 -3.815 -10.432 278 HA SER 42 HA SER 42 -7.246 -1.685 -11.764 279 1HB SER 42 1HB SER 42 -7.228 -4.624 -12.496 280 2HB SER 42 2HB SER 42 -8.274 -3.399 -13.216 281 HG SER 42 HG SER 42 -5.974 -4.063 -14.103 282 H CYS 43 H CYS 43 -7.042 -3.287 -9.022 283 HA CYS 43 HA CYS 43 -8.471 -3.806 -7.331 284 1HB CYS 43 1HB CYS 43 -9.409 -1.603 -7.731 285 2HB CYS 43 2HB CYS 43 -10.408 -2.230 -9.037 286 HG CYS 43 HG CYS 43 -11.173 -2.192 -6.159 287 H VAL 44 H VAL 44 -8.091 -5.988 -8.498 288 HA VAL 44 HA VAL 44 -10.706 -7.250 -8.758 289 HB VAL 44 HB VAL 44 -8.598 -7.909 -10.796 290 1HG1 VAL 44 1HG1 VAL 44 -10.509 -9.470 -10.274 291 2HG1 VAL 44 2HG1 VAL 44 -11.587 -8.240 -10.933 292 3HG1 VAL 44 3HG1 VAL 44 -10.361 -8.980 -11.962 293 1HG2 VAL 44 1HG2 VAL 44 -10.669 -5.741 -10.896 294 2HG2 VAL 44 2HG2 VAL 44 -8.957 -5.658 -11.309 295 3HG2 VAL 44 3HG2 VAL 44 -10.078 -6.518 -12.365 296 H CYS 45 H CYS 45 -8.279 -7.183 -6.933 297 HA CYS 45 HA CYS 45 -8.287 -9.977 -6.312 298 1HB CYS 45 1HB CYS 45 -6.102 -10.581 -6.801 299 2HB CYS 45 2HB CYS 45 -6.513 -9.581 -8.190 300 H ALA 46 H ALA 46 -6.397 -10.309 -4.551 301 HA ALA 46 HA ALA 46 -6.284 -7.947 -2.821 302 1HB ALA 46 1HB ALA 46 -8.252 -9.467 -2.248 303 2HB ALA 46 2HB ALA 46 -7.042 -10.626 -1.693 304 3HB ALA 46 3HB ALA 46 -7.155 -9.038 -0.935 305 H THR 47 H THR 47 -4.474 -9.807 -4.492 306 HA THR 47 HA THR 47 -2.686 -10.918 -2.517 307 HB THR 47 HB THR 47 -1.249 -11.363 -4.572 308 HG1 THR 47 HG1 THR 47 -3.518 -10.841 -6.109 309 1HG2 THR 47 1HG2 THR 47 -3.830 -12.547 -3.924 310 2HG2 THR 47 2HG2 THR 47 -3.327 -12.801 -5.596 311 3HG2 THR 47 3HG2 THR 47 -2.279 -13.312 -4.272 312 H CYS 48 H CYS 48 -3.224 -7.851 -3.651 313 HA CYS 48 HA CYS 48 -0.443 -6.993 -3.635 314 1HB CYS 48 1HB CYS 48 -1.523 -4.708 -3.996 315 2HB CYS 48 2HB CYS 48 -1.745 -5.894 -5.278 316 H ARG 49 H ARG 49 -1.332 -8.128 -1.229 317 HA ARG 49 HA ARG 49 -2.323 -6.435 0.701 318 1HB ARG 49 1HB ARG 49 -1.659 -8.945 0.817 319 2HB ARG 49 2HB ARG 49 -0.098 -8.337 1.352 320 1HG ARG 49 1HG ARG 49 -1.308 -8.810 3.310 321 2HG ARG 49 2HG ARG 49 -1.358 -7.055 3.133 322 1HD ARG 49 1HD ARG 49 -3.589 -7.299 2.049 323 2HD ARG 49 2HD ARG 49 -3.535 -9.019 2.433 324 HE ARG 49 HE ARG 49 -3.173 -7.959 4.842 325 1HH1 ARG 49 1HH1 ARG 49 -5.436 -7.130 2.329 326 2HH1 ARG 49 2HH1 ARG 49 -6.647 -6.560 3.428 327 1HH2 ARG 49 1HH2 ARG 49 -4.761 -7.207 6.300 328 2HH2 ARG 49 2HH2 ARG 49 -6.264 -6.604 5.684 329 H ILE 50 H ILE 50 -1.499 -4.345 0.236 330 HA ILE 50 HA ILE 50 1.317 -3.876 0.896 331 HB ILE 50 HB ILE 50 -0.792 -2.137 -0.373 332 1HG1 ILE 50 1HG1 ILE 50 0.833 -3.924 -1.527 333 2HG1 ILE 50 2HG1 ILE 50 0.350 -2.434 -2.327 334 1HG2 ILE 50 1HG2 ILE 50 1.911 -1.323 0.675 335 2HG2 ILE 50 2HG2 ILE 50 0.987 -0.374 -0.490 336 3HG2 ILE 50 3HG2 ILE 50 0.335 -0.669 1.121 337 1HD1 ILE 50 1HD1 ILE 50 2.777 -2.276 -0.669 338 2HD1 ILE 50 2HD1 ILE 50 2.885 -3.268 -2.122 339 3HD1 ILE 50 3HD1 ILE 50 2.425 -1.570 -2.247 340 H GLU 51 H GLU 51 1.818 -2.063 2.396 341 HA GLU 51 HA GLU 51 -0.329 -1.583 4.337 342 1HB GLU 51 1HB GLU 51 2.217 -3.017 4.788 343 2HB GLU 51 2HB GLU 51 1.743 -1.864 6.029 344 1HG GLU 51 1HG GLU 51 -0.367 -3.004 6.329 345 2HG GLU 51 2HG GLU 51 0.026 -4.121 5.023 346 H ILE 52 H ILE 52 -0.575 0.538 4.317 347 HA ILE 52 HA ILE 52 1.483 2.428 3.759 348 HB ILE 52 HB ILE 52 -1.207 2.777 5.099 349 1HG1 ILE 52 1HG1 ILE 52 -1.025 1.932 2.657 350 2HG1 ILE 52 2HG1 ILE 52 -2.108 3.275 3.010 351 1HG2 ILE 52 1HG2 ILE 52 0.563 4.557 5.529 352 2HG2 ILE 52 2HG2 ILE 52 0.410 4.958 3.819 353 3HG2 ILE 52 3HG2 ILE 52 -0.986 5.098 4.888 354 1HD1 ILE 52 1HD1 ILE 52 0.693 3.600 1.998 355 2HD1 ILE 52 2HD1 ILE 52 -0.741 3.568 0.969 356 3HD1 ILE 52 3HD1 ILE 52 -0.544 4.849 2.168 357 H GLU 53 H GLU 53 2.705 3.726 5.270 358 HA GLU 53 HA GLU 53 3.240 2.431 7.702 359 1HB GLU 53 1HB GLU 53 4.852 3.975 7.982 360 2HB GLU 53 2HB GLU 53 4.368 4.564 6.404 361 1HG GLU 53 1HG GLU 53 4.205 6.517 7.476 362 2HG GLU 53 2HG GLU 53 2.647 5.885 7.964 363 H ASP 54 H ASP 54 2.733 3.326 9.981 364 HA ASP 54 HA ASP 54 -0.118 3.606 10.138 365 1HB ASP 54 1HB ASP 54 1.046 2.198 11.736 366 2HB ASP 54 2HB ASP 54 1.975 3.574 12.317 367 H ALA 55 H ALA 55 1.559 5.918 9.144 368 HA ALA 55 HA ALA 55 0.512 7.983 10.950 369 1HB ALA 55 1HB ALA 55 3.070 7.757 10.315 370 2HB ALA 55 2HB ALA 55 2.539 8.612 8.862 371 3HB ALA 55 3HB ALA 55 2.298 9.336 10.455 372 H TRP 56 H TRP 56 0.591 6.659 7.774 373 HA TRP 56 HA TRP 56 -0.938 8.899 6.714 374 1HB TRP 56 1HB TRP 56 0.504 6.694 5.287 375 2HB TRP 56 2HB TRP 56 -0.258 8.095 4.537 376 HD1 TRP 56 HD1 TRP 56 2.408 7.402 7.201 377 HE1 TRP 56 HE1 TRP 56 4.176 9.242 7.083 378 HE3 TRP 56 HE3 TRP 56 0.291 10.180 3.493 379 HZ2 TRP 56 HZ2 TRP 56 4.630 11.572 5.581 380 HZ3 TRP 56 HZ3 TRP 56 1.513 12.206 2.742 381 HH2 TRP 56 HH2 TRP 56 3.610 12.879 3.762 382 H VAL 57 H VAL 57 -1.754 6.064 8.041 383 HA VAL 57 HA VAL 57 -3.479 5.029 6.046 384 HB VAL 57 HB VAL 57 -3.719 4.784 9.040 385 1HG1 VAL 57 1HG1 VAL 57 -5.677 4.253 7.549 386 2HG1 VAL 57 2HG1 VAL 57 -4.700 2.941 6.892 387 3HG1 VAL 57 3HG1 VAL 57 -5.125 2.945 8.605 388 1HG2 VAL 57 1HG2 VAL 57 -1.532 4.191 7.879 389 2HG2 VAL 57 2HG2 VAL 57 -2.264 2.970 8.930 390 3HG2 VAL 57 3HG2 VAL 57 -2.424 2.843 7.176 391 H GLU 58 H GLU 58 -3.652 7.374 8.586 392 HA GLU 58 HA GLU 58 -6.458 7.918 8.140 393 1HB GLU 58 1HB GLU 58 -4.388 9.316 9.856 394 2HB GLU 58 2HB GLU 58 -6.087 9.767 9.791 395 1HG GLU 58 1HG GLU 58 -6.750 8.003 11.038 396 2HG GLU 58 2HG GLU 58 -5.492 6.941 10.409 397 H ILE 59 H ILE 59 -3.664 8.504 6.543 398 HA ILE 59 HA ILE 59 -4.455 11.171 5.546 399 HB ILE 59 HB ILE 59 -1.883 9.644 5.436 400 1HG1 ILE 59 1HG1 ILE 59 -2.096 12.544 5.968 401 2HG1 ILE 59 2HG1 ILE 59 -2.706 11.450 7.204 402 1HG2 ILE 59 1HG2 ILE 59 -2.909 11.495 3.423 403 2HG2 ILE 59 2HG2 ILE 59 -1.310 11.906 4.044 404 3HG2 ILE 59 3HG2 ILE 59 -1.595 10.322 3.325 405 1HD1 ILE 59 1HD1 ILE 59 -0.168 10.545 6.324 406 2HD1 ILE 59 2HD1 ILE 59 -0.065 12.258 6.728 407 3HD1 ILE 59 3HD1 ILE 59 -0.661 11.108 7.921 408 H VAL 60 H VAL 60 -3.792 7.877 4.692 409 HA VAL 60 HA VAL 60 -4.239 8.282 1.866 410 HB VAL 60 HB VAL 60 -3.804 5.745 3.437 411 1HG1 VAL 60 1HG1 VAL 60 -4.778 5.642 1.075 412 2HG1 VAL 60 2HG1 VAL 60 -3.187 6.182 0.536 413 3HG1 VAL 60 3HG1 VAL 60 -3.352 4.665 1.421 414 1HG2 VAL 60 1HG2 VAL 60 -2.029 7.927 2.996 415 2HG2 VAL 60 2HG2 VAL 60 -1.684 6.344 3.702 416 3HG2 VAL 60 3HG2 VAL 60 -1.502 6.585 1.968 417 H GLY 61 H GLY 61 -5.844 6.884 4.646 418 1HA GLY 61 1HA GLY 61 -8.135 6.643 4.980 419 2HA GLY 61 2HA GLY 61 -8.399 7.194 3.336 420 H GLU 62 H GLU 62 -7.650 4.391 5.333 421 HA GLU 62 HA GLU 62 -7.458 2.399 3.491 422 1HB GLU 62 1HB GLU 62 -8.507 2.564 6.265 423 2HB GLU 62 2HB GLU 62 -8.940 1.131 5.344 424 1HG GLU 62 1HG GLU 62 -6.259 1.333 4.866 425 2HG GLU 62 2HG GLU 62 -6.391 1.908 6.528 426 H ALA 63 H ALA 63 -8.836 1.186 2.345 427 HA ALA 63 HA ALA 63 -10.978 2.309 1.075 428 1HB ALA 63 1HB ALA 63 -9.843 -0.351 1.239 429 2HB ALA 63 2HB ALA 63 -11.592 -0.385 0.985 430 3HB ALA 63 3HB ALA 63 -10.551 0.496 -0.138 431 H ASN 64 H ASN 64 -13.118 0.737 1.042 432 HA ASN 64 HA ASN 64 -14.515 1.465 3.439 433 1HB ASN 64 1HB ASN 64 -16.466 0.475 2.004 434 2HB ASN 64 2HB ASN 64 -15.751 2.007 1.531 435 1HD2 ASN 64 2HD2 ASN 64 -16.106 1.944 -0.607 436 2HD2 ASN 64 1HD2 ASN 64 -15.456 0.748 -1.670 437 HA PRO 65 HA PRO 65 -14.989 -2.559 5.148 438 1HB PRO 65 1HB PRO 65 -17.883 -2.362 5.335 439 2HB PRO 65 2HB PRO 65 -16.678 -2.193 6.614 440 1HG PRO 65 1HG PRO 65 -18.175 -0.110 5.700 441 2HG PRO 65 2HG PRO 65 -16.542 0.087 6.364 442 1HD PRO 65 1HD PRO 65 -17.416 -0.013 3.497 443 2HD PRO 65 2HD PRO 65 -16.223 1.058 4.262 444 H ASP 66 H ASP 66 -15.901 -2.042 2.078 445 HA ASP 66 HA ASP 66 -17.438 -4.486 1.693 446 1HB ASP 66 1HB ASP 66 -16.766 -2.106 0.041 447 2HB ASP 66 2HB ASP 66 -17.011 -3.624 -0.817 448 H GLU 67 H GLU 67 -14.387 -3.071 0.524 449 HA GLU 67 HA GLU 67 -13.483 -5.465 -0.709 450 1HB GLU 67 1HB GLU 67 -11.281 -4.321 -0.793 451 2HB GLU 67 2HB GLU 67 -12.593 -3.331 -1.418 452 1HG GLU 67 1HG GLU 67 -11.350 -1.855 -0.139 453 2HG GLU 67 2HG GLU 67 -12.677 -2.307 0.929 454 H ASN 68 H ASN 68 -13.540 -4.352 2.525 455 HA ASN 68 HA ASN 68 -11.415 -6.105 3.428 456 1HB ASN 68 1HB ASN 68 -11.397 -4.213 4.741 457 2HB ASN 68 2HB ASN 68 -13.145 -4.017 4.675 458 1HD2 ASN 68 2HD2 ASN 68 -11.067 -6.707 5.687 459 2HD2 ASN 68 1HD2 ASN 68 -11.734 -6.848 7.274 460 H ASP 69 H ASP 69 -14.849 -6.162 3.062 461 HA ASP 69 HA ASP 69 -15.337 -8.267 4.947 462 1HB ASP 69 1HB ASP 69 -16.963 -6.464 3.798 463 2HB ASP 69 2HB ASP 69 -17.238 -7.820 2.709 464 H LEU 70 H LEU 70 -15.249 -8.111 1.390 465 HA LEU 70 HA LEU 70 -15.668 -10.818 0.888 466 1HB LEU 70 1HB LEU 70 -15.003 -10.398 -1.303 467 2HB LEU 70 2HB LEU 70 -15.600 -8.845 -0.748 468 HG LEU 70 HG LEU 70 -12.929 -8.681 -0.141 469 1HD1 LEU 70 1HD1 LEU 70 -13.195 -10.804 -2.002 470 2HD1 LEU 70 2HD1 LEU 70 -12.455 -9.435 -2.832 471 3HD1 LEU 70 3HD1 LEU 70 -11.721 -10.076 -1.362 472 1HD2 LEU 70 1HD2 LEU 70 -14.552 -7.086 -1.321 473 2HD2 LEU 70 2HD2 LEU 70 -12.851 -7.023 -1.784 474 3HD2 LEU 70 3HD2 LEU 70 -14.015 -7.857 -2.813 475 H LEU 71 H LEU 71 -12.791 -9.106 1.869 476 HA LEU 71 HA LEU 71 -11.043 -11.350 1.337 477 1HB LEU 71 1HB LEU 71 -10.742 -8.552 1.944 478 2HB LEU 71 2HB LEU 71 -9.746 -9.509 3.022 479 HG LEU 71 HG LEU 71 -9.630 -9.403 0.017 480 1HD1 LEU 71 1HD1 LEU 71 -8.044 -8.350 2.247 481 2HD1 LEU 71 2HD1 LEU 71 -7.105 -9.129 0.973 482 3HD1 LEU 71 3HD1 LEU 71 -8.181 -7.787 0.581 483 1HD2 LEU 71 1HD2 LEU 71 -9.215 -11.678 1.604 484 2HD2 LEU 71 2HD2 LEU 71 -8.772 -11.447 -0.088 485 3HD2 LEU 71 3HD2 LEU 71 -7.612 -11.069 1.187 486 H GLN 72 H GLN 72 -12.910 -10.105 3.969 487 HA GLN 72 HA GLN 72 -11.508 -11.352 6.095 488 1HB GLN 72 1HB GLN 72 -14.301 -10.275 5.800 489 2HB GLN 72 2HB GLN 72 -13.788 -11.083 7.274 490 1HG GLN 72 1HG GLN 72 -11.881 -9.075 6.471 491 2HG GLN 72 2HG GLN 72 -13.499 -8.395 6.640 492 1HE2 GLN 72 2HE2 GLN 72 -14.565 -9.793 8.673 493 2HE2 GLN 72 1HE2 GLN 72 -13.666 -9.542 10.127 494 H SER 73 H SER 73 -14.318 -12.314 4.161 495 HA SER 73 HA SER 73 -15.072 -14.619 5.451 496 1HB SER 73 1HB SER 73 -15.808 -13.405 3.128 497 2HB SER 73 2HB SER 73 -15.007 -14.847 2.508 498 HG SER 73 HG SER 73 -16.789 -15.837 2.978 499 H THR 74 H THR 74 -12.194 -14.028 3.631 500 HA THR 74 HA THR 74 -11.519 -16.706 3.012 501 HB THR 74 HB THR 74 -9.350 -15.879 2.464 502 HG1 THR 74 HG1 THR 74 -9.841 -13.398 3.672 503 1HG2 THR 74 1HG2 THR 74 -11.572 -14.005 1.852 504 2HG2 THR 74 2HG2 THR 74 -9.923 -13.548 1.428 505 3HG2 THR 74 3HG2 THR 74 -10.622 -15.028 0.773 506 H GLY 75 H GLY 75 -10.186 -14.561 5.540 507 1HA GLY 75 1HA GLY 75 -10.227 -15.541 7.845 508 2HA GLY 75 2HA GLY 75 -9.580 -16.995 7.103 509 H GLU 76 H GLU 76 -8.541 -13.833 6.078 510 HA GLU 76 HA GLU 76 -5.865 -14.434 7.110 511 1HB GLU 76 1HB GLU 76 -6.921 -12.813 4.841 512 2HB GLU 76 2HB GLU 76 -5.389 -12.334 5.559 513 1HG GLU 76 1HG GLU 76 -5.716 -15.189 4.858 514 2HG GLU 76 2HG GLU 76 -5.561 -14.039 3.531 515 HA PRO 77 HA PRO 77 -6.103 -11.505 10.403 516 1HB PRO 77 1HB PRO 77 -3.288 -10.890 9.658 517 2HB PRO 77 2HB PRO 77 -3.961 -11.359 11.223 518 1HG PRO 77 1HG PRO 77 -2.568 -13.099 9.766 519 2HG PRO 77 2HG PRO 77 -3.996 -13.612 10.683 520 1HD PRO 77 1HD PRO 77 -3.695 -13.133 7.751 521 2HD PRO 77 2HD PRO 77 -4.655 -14.361 8.601 522 H MET 78 H MET 78 -5.198 -9.148 10.809 523 HA MET 78 HA MET 78 -5.023 -7.489 8.467 524 1HB MET 78 1HB MET 78 -7.509 -7.495 10.168 525 2HB MET 78 2HB MET 78 -7.045 -6.111 9.190 526 1HG MET 78 1HG MET 78 -7.040 -7.633 7.202 527 2HG MET 78 2HG MET 78 -7.742 -8.873 8.240 528 1HE MET 78 1HE MET 78 -7.946 -5.230 7.298 529 2HE MET 78 2HE MET 78 -8.797 -5.803 5.863 530 3HE MET 78 3HE MET 78 -9.662 -4.881 7.092 531 H THR 79 H THR 79 -3.746 -5.828 8.925 532 HA THR 79 HA THR 79 -3.417 -5.063 11.751 533 HB THR 79 HB THR 79 -1.187 -4.099 10.817 534 HG1 THR 79 HG1 THR 79 -0.449 -5.143 8.984 535 1HG2 THR 79 1HG2 THR 79 -1.604 -7.071 11.020 536 2HG2 THR 79 2HG2 THR 79 -0.037 -6.262 11.008 537 3HG2 THR 79 3HG2 THR 79 -1.169 -5.971 12.329 538 H ALA 80 H ALA 80 -2.202 -2.695 11.618 539 HA ALA 80 HA ALA 80 -4.323 -0.947 10.770 540 1HB ALA 80 1HB ALA 80 -1.973 -0.768 12.488 541 2HB ALA 80 2HB ALA 80 -2.279 0.699 11.560 542 3HB ALA 80 3HB ALA 80 -3.534 0.043 12.611 543 H GLY 81 H GLY 81 -4.451 0.211 8.959 544 1HA GLY 81 1HA GLY 81 -3.777 1.366 7.073 545 2HA GLY 81 2HA GLY 81 -2.108 1.047 7.507 546 H THR 82 H THR 82 -3.757 -1.833 7.582 547 HA THR 82 HA THR 82 -2.505 -2.724 5.151 548 HB THR 82 HB THR 82 -4.400 -4.546 6.469 549 HG1 THR 82 HG1 THR 82 -2.087 -3.856 7.918 550 1HG2 THR 82 1HG2 THR 82 -2.547 -5.147 4.834 551 2HG2 THR 82 2HG2 THR 82 -1.441 -4.885 6.183 552 3HG2 THR 82 3HG2 THR 82 -2.693 -6.121 6.297 553 H ARG 83 H ARG 83 -3.423 -2.246 3.257 554 HA ARG 83 HA ARG 83 -6.005 -3.240 2.597 555 1HB ARG 83 1HB ARG 83 -6.744 -1.224 3.753 556 2HB ARG 83 2HB ARG 83 -5.682 -0.238 2.758 557 1HG ARG 83 1HG ARG 83 -7.652 -1.928 1.343 558 2HG ARG 83 2HG ARG 83 -8.276 -0.551 2.246 559 1HD ARG 83 1HD ARG 83 -5.997 -0.288 0.304 560 2HD ARG 83 2HD ARG 83 -7.676 -0.184 -0.212 561 HE ARG 83 HE ARG 83 -7.887 1.850 0.911 562 1HH1 ARG 83 1HH1 ARG 83 -4.703 0.483 1.354 563 2HH1 ARG 83 2HH1 ARG 83 -4.020 1.957 1.945 564 1HH2 ARG 83 1HH2 ARG 83 -6.985 3.786 1.691 565 2HH2 ARG 83 2HH2 ARG 83 -5.312 3.831 2.136 566 H LEU 84 H LEU 84 -6.508 -2.993 0.338 567 HA LEU 84 HA LEU 84 -4.353 -3.351 -1.364 568 1HB LEU 84 1HB LEU 84 -6.873 -2.207 -2.467 569 2HB LEU 84 2HB LEU 84 -5.888 -3.524 -3.072 570 HG LEU 84 HG LEU 84 -6.785 -4.634 -0.777 571 1HD1 LEU 84 1HD1 LEU 84 -8.222 -2.367 -0.732 572 2HD1 LEU 84 2HD1 LEU 84 -9.300 -3.392 -1.680 573 3HD1 LEU 84 3HD1 LEU 84 -8.794 -3.897 -0.068 574 1HD2 LEU 84 1HD2 LEU 84 -6.876 -5.449 -3.176 575 2HD2 LEU 84 2HD2 LEU 84 -8.202 -5.949 -2.126 576 3HD2 LEU 84 3HD2 LEU 84 -8.439 -4.642 -3.286 577 H SER 85 H SER 85 -2.790 -1.791 -1.282 578 HA SER 85 HA SER 85 -3.274 0.988 -1.342 579 1HB SER 85 1HB SER 85 -0.928 1.249 -1.537 580 2HB SER 85 2HB SER 85 -1.150 -0.224 -0.593 581 HG SER 85 HG SER 85 0.379 -0.193 -2.503 582 H CYS 86 H CYS 86 -2.738 -1.390 -3.881 583 HA CYS 86 HA CYS 86 -2.218 0.281 -6.031 584 1HB CYS 86 1HB CYS 86 -2.663 -1.528 -7.397 585 2HB CYS 86 2HB CYS 86 -2.392 -2.344 -5.862 586 H GLN 87 H GLN 87 -5.148 -0.243 -4.277 587 HA GLN 87 HA GLN 87 -6.860 0.898 -6.292 588 1HB GLN 87 1HB GLN 87 -7.451 -0.867 -4.476 589 2HB GLN 87 2HB GLN 87 -7.657 0.530 -3.427 590 1HG GLN 87 1HG GLN 87 -9.125 1.333 -5.511 591 2HG GLN 87 2HG GLN 87 -9.306 -0.412 -5.684 592 1HE2 GLN 87 2HE2 GLN 87 -10.367 -1.577 -4.088 593 2HE2 GLN 87 1HE2 GLN 87 -11.357 -0.813 -2.895 594 H VAL 88 H VAL 88 -4.712 2.235 -4.072 595 HA VAL 88 HA VAL 88 -6.325 4.685 -3.882 596 HB VAL 88 HB VAL 88 -4.034 3.691 -2.192 597 1HG1 VAL 88 1HG1 VAL 88 -5.375 6.376 -2.266 598 2HG1 VAL 88 2HG1 VAL 88 -4.404 5.809 -0.907 599 3HG1 VAL 88 3HG1 VAL 88 -3.668 6.007 -2.498 600 1HG2 VAL 88 1HG2 VAL 88 -6.279 2.764 -1.722 601 2HG2 VAL 88 2HG2 VAL 88 -5.640 3.727 -0.390 602 3HG2 VAL 88 3HG2 VAL 88 -6.870 4.404 -1.456 603 H PHE 89 H PHE 89 -5.068 6.735 -4.074 604 HA PHE 89 HA PHE 89 -2.563 6.490 -5.503 605 1HB PHE 89 1HB PHE 89 -4.931 7.820 -6.807 606 2HB PHE 89 2HB PHE 89 -3.305 7.652 -7.481 607 HD1 PHE 89 HD1 PHE 89 -6.393 5.913 -6.606 608 HD2 PHE 89 HD2 PHE 89 -2.500 5.553 -8.292 609 HE1 PHE 89 HE1 PHE 89 -6.993 3.695 -7.487 610 HE2 PHE 89 HE2 PHE 89 -3.089 3.326 -9.189 611 HZ PHE 89 HZ PHE 89 -5.343 2.395 -8.790 612 H ILE 90 H ILE 90 -1.293 8.177 -5.499 613 HA ILE 90 HA ILE 90 -1.255 9.958 -3.460 614 HB ILE 90 HB ILE 90 -0.028 10.102 -6.203 615 1HG1 ILE 90 1HG1 ILE 90 0.381 8.319 -4.229 616 2HG1 ILE 90 2HG1 ILE 90 1.644 8.826 -5.344 617 1HG2 ILE 90 1HG2 ILE 90 0.401 11.862 -3.820 618 2HG2 ILE 90 2HG2 ILE 90 1.668 11.568 -5.004 619 3HG2 ILE 90 3HG2 ILE 90 0.159 12.326 -5.498 620 1HD1 ILE 90 1HD1 ILE 90 2.316 10.566 -3.677 621 2HD1 ILE 90 2HD1 ILE 90 1.143 9.852 -2.565 622 3HD1 ILE 90 3HD1 ILE 90 2.515 8.896 -3.122 623 H ASP 91 H ASP 91 -1.338 12.289 -3.459 624 HA ASP 91 HA ASP 91 -2.585 13.972 -5.241 625 1HB ASP 91 1HB ASP 91 -4.844 13.798 -4.825 626 2HB ASP 91 2HB ASP 91 -4.439 12.194 -4.240 627 HA PRO 92 HA PRO 92 -1.063 16.720 -2.082 628 1HB PRO 92 1HB PRO 92 -3.580 18.282 -2.007 629 2HB PRO 92 2HB PRO 92 -1.952 18.800 -2.466 630 1HG PRO 92 1HG PRO 92 -3.849 18.488 -4.318 631 2HG PRO 92 2HG PRO 92 -2.174 18.002 -4.644 632 1HD PRO 92 1HD PRO 92 -4.513 16.295 -3.860 633 2HD PRO 92 2HD PRO 92 -3.289 16.006 -5.119 634 H SER 93 H SER 93 -2.199 14.407 -1.129 635 HA SER 93 HA SER 93 -3.111 15.182 1.528 636 1HB SER 93 1HB SER 93 -5.071 14.032 1.401 637 2HB SER 93 2HB SER 93 -4.863 14.200 -0.350 638 HG SER 93 HG SER 93 -5.234 12.010 0.511 639 H MET 94 H MET 94 -1.844 12.745 -0.671 640 HA MET 94 HA MET 94 -0.571 11.311 1.552 641 1HB MET 94 1HB MET 94 -1.461 10.444 -1.198 642 2HB MET 94 2HB MET 94 -0.347 9.486 -0.237 643 1HG MET 94 1HG MET 94 -1.962 9.001 1.368 644 2HG MET 94 2HG MET 94 -2.998 10.333 0.856 645 1HE MET 94 1HE MET 94 -1.048 7.521 -0.549 646 2HE MET 94 2HE MET 94 -2.233 6.365 -1.158 647 3HE MET 94 3HE MET 94 -1.684 7.688 -2.186 648 H ASP 95 H ASP 95 0.557 13.666 0.683 649 HA ASP 95 HA ASP 95 2.609 13.037 -1.190 650 1HB ASP 95 1HB ASP 95 2.549 15.639 0.253 651 2HB ASP 95 2HB ASP 95 2.875 15.324 -1.436 652 H GLY 96 H GLY 96 4.530 12.279 -0.585 653 1HA GLY 96 1HA GLY 96 6.419 11.988 0.764 654 2HA GLY 96 2HA GLY 96 5.705 13.102 1.928 655 H LEU 97 H LEU 97 3.892 10.497 0.592 656 HA LEU 97 HA LEU 97 3.220 9.505 3.141 657 1HB LEU 97 1HB LEU 97 1.569 8.385 2.116 658 2HB LEU 97 2HB LEU 97 1.952 9.495 0.818 659 HG LEU 97 HG LEU 97 3.631 7.316 0.375 660 1HD1 LEU 97 1HD1 LEU 97 1.033 6.489 1.562 661 2HD1 LEU 97 2HD1 LEU 97 1.690 5.562 0.215 662 3HD1 LEU 97 3HD1 LEU 97 2.627 5.744 1.697 663 1HD2 LEU 97 1HD2 LEU 97 2.278 8.817 -1.187 664 2HD2 LEU 97 2HD2 LEU 97 2.445 7.121 -1.639 665 3HD2 LEU 97 3HD2 LEU 97 0.946 7.695 -0.911 666 H ILE 98 H ILE 98 3.435 7.418 3.953 667 HA ILE 98 HA ILE 98 5.920 6.115 3.103 668 HB ILE 98 HB ILE 98 4.811 6.258 5.880 669 1HG1 ILE 98 1HG1 ILE 98 6.791 7.642 6.361 670 2HG1 ILE 98 2HG1 ILE 98 7.230 7.579 4.653 671 1HG2 ILE 98 1HG2 ILE 98 6.306 4.241 4.901 672 2HG2 ILE 98 2HG2 ILE 98 7.564 5.347 5.453 673 3HG2 ILE 98 3HG2 ILE 98 6.339 4.773 6.583 674 1HD1 ILE 98 1HD1 ILE 98 4.510 8.415 5.057 675 2HD1 ILE 98 2HD1 ILE 98 5.657 9.482 5.866 676 3HD1 ILE 98 3HD1 ILE 98 5.795 9.180 4.134 677 H VAL 99 H VAL 99 5.717 4.154 2.358 678 HA VAL 99 HA VAL 99 3.322 2.665 3.069 679 HB VAL 99 HB VAL 99 4.961 1.661 0.872 680 1HG1 VAL 99 1HG1 VAL 99 2.287 1.611 1.935 681 2HG1 VAL 99 2HG1 VAL 99 2.288 1.926 0.194 682 3HG1 VAL 99 3HG1 VAL 99 3.087 0.486 0.829 683 1HG2 VAL 99 1HG2 VAL 99 3.388 4.232 0.663 684 2HG2 VAL 99 2HG2 VAL 99 5.112 4.021 0.364 685 3HG2 VAL 99 3HG2 VAL 99 3.933 3.280 -0.718 686 H ARG 100 H ARG 100 3.768 0.175 2.742 687 HA ARG 100 HA ARG 100 6.334 -0.755 3.619 688 1HB ARG 100 1HB ARG 100 4.151 -1.420 5.552 689 2HB ARG 100 2HB ARG 100 5.891 -1.438 5.788 690 1HG ARG 100 1HG ARG 100 5.870 1.038 5.770 691 2HG ARG 100 2HG ARG 100 4.108 0.984 5.676 692 1HD ARG 100 1HD ARG 100 4.001 0.771 7.884 693 2HD ARG 100 2HD ARG 100 4.927 -0.721 7.790 694 HE ARG 100 HE ARG 100 6.003 1.961 8.293 695 1HH1 ARG 100 1HH1 ARG 100 6.499 -1.504 8.156 696 2HH1 ARG 100 2HH1 ARG 100 8.041 -1.430 8.934 697 1HH2 ARG 100 1HH2 ARG 100 8.030 2.042 9.306 698 2HH2 ARG 100 2HH2 ARG 100 8.910 0.577 9.584 699 H VAL 101 H VAL 101 6.422 -3.112 3.752 700 HA VAL 101 HA VAL 101 4.200 -4.375 2.281 701 HB VAL 101 HB VAL 101 7.118 -5.164 2.226 702 1HG1 VAL 101 1HG1 VAL 101 5.141 -6.880 1.907 703 2HG1 VAL 101 2HG1 VAL 101 5.099 -6.177 0.291 704 3HG1 VAL 101 3HG1 VAL 101 6.577 -6.935 0.884 705 1HG2 VAL 101 1HG2 VAL 101 5.880 -3.069 0.887 706 2HG2 VAL 101 2HG2 VAL 101 7.425 -3.814 0.481 707 3HG2 VAL 101 3HG2 VAL 101 5.945 -4.372 -0.299 708 HA PRO 102 HA PRO 102 3.842 -6.778 6.030 709 1HB PRO 102 1HB PRO 102 1.795 -8.341 5.221 710 2HB PRO 102 2HB PRO 102 1.571 -6.650 5.684 711 1HG PRO 102 1HG PRO 102 1.822 -7.848 2.951 712 2HG PRO 102 2HG PRO 102 0.679 -6.622 3.531 713 1HD PRO 102 1HD PRO 102 2.904 -5.989 2.119 714 2HD PRO 102 2HD PRO 102 2.227 -4.919 3.364 715 H LEU 103 H LEU 103 3.443 -9.243 6.422 716 HA LEU 103 HA LEU 103 4.804 -10.949 4.500 717 1HB LEU 103 1HB LEU 103 5.819 -10.989 7.308 718 2HB LEU 103 2HB LEU 103 6.608 -11.526 5.837 719 HG LEU 103 HG LEU 103 6.069 -8.612 6.277 720 1HD1 LEU 103 1HD1 LEU 103 8.100 -10.311 7.623 721 2HD1 LEU 103 2HD1 LEU 103 8.587 -8.713 7.058 722 3HD1 LEU 103 3HD1 LEU 103 7.256 -8.874 8.204 723 1HD2 LEU 103 1HD2 LEU 103 6.831 -9.630 4.069 724 2HD2 LEU 103 2HD2 LEU 103 7.783 -8.288 4.706 725 3HD2 LEU 103 3HD2 LEU 103 8.368 -9.943 4.875 726 HA PRO 104 HA PRO 104 2.263 -14.049 6.384 727 1HB PRO 104 1HB PRO 104 3.690 -16.306 6.179 728 2HB PRO 104 2HB PRO 104 3.145 -15.423 4.748 729 1HG PRO 104 1HG PRO 104 5.849 -15.548 5.983 730 2HG PRO 104 2HG PRO 104 5.398 -15.418 4.277 731 1HD PRO 104 1HD PRO 104 6.213 -13.315 5.942 732 2HD PRO 104 2HD PRO 104 5.438 -13.151 4.356 733 H ALA 105 H ALA 105 1.972 -13.524 8.543 734 HA ALA 105 HA ALA 105 3.149 -15.303 10.444 735 1HB ALA 105 1HB ALA 105 4.782 -13.272 10.055 736 2HB ALA 105 2HB ALA 105 3.672 -12.464 11.161 737 3HB ALA 105 3HB ALA 105 4.509 -13.931 11.667
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