NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
9950 | 1p1e | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLN 18 1HT GLN 18 -20.500 -6.430 -12.955 2 2H GLN 18 2HT GLN 18 -21.602 -6.192 -11.662 3 3H GLN 18 3HT GLN 18 -21.523 -7.711 -12.456 4 HA GLN 18 HA GLN 18 -19.525 -6.453 -10.710 5 1HB GLN 18 2HB GLN 18 -19.888 -8.478 -9.385 6 2HB GLN 18 1HB GLN 18 -21.402 -7.622 -9.641 7 1HG GLN 18 2HG GLN 18 -21.032 -9.522 -11.739 8 2HG GLN 18 1HG GLN 18 -20.808 -10.318 -10.180 9 1HE2 GLN 18 1HE2 GLN 18 -22.894 -7.588 -10.968 10 2HE2 GLN 18 2HE2 GLN 18 -24.386 -8.384 -10.586 11 H VAL 19 H VAL 19 -18.197 -6.433 -12.776 12 HA VAL 19 HA VAL 19 -17.310 -8.951 -13.823 13 HB VAL 19 HB VAL 19 -17.312 -6.942 -15.226 14 1HG1 VAL 19 1HG1 VAL 19 -16.748 -5.046 -14.173 15 2HG1 VAL 19 2HG1 VAL 19 -15.097 -5.488 -14.609 16 3HG1 VAL 19 3HG1 VAL 19 -15.720 -5.879 -13.006 17 1HG2 VAL 19 1HG2 VAL 19 -15.156 -7.244 -16.258 18 2HG2 VAL 19 2HG2 VAL 19 -15.743 -8.806 -15.685 19 3HG2 VAL 19 3HG2 VAL 19 -14.502 -7.942 -14.776 20 H VAL 20 H VAL 20 -15.329 -9.965 -13.525 21 HA VAL 20 HA VAL 20 -14.005 -9.322 -10.992 22 HB VAL 20 HB VAL 20 -13.650 -11.803 -12.673 23 1HG1 VAL 20 1HG1 VAL 20 -12.470 -12.707 -10.917 24 2HG1 VAL 20 2HG1 VAL 20 -13.213 -11.638 -9.727 25 3HG1 VAL 20 3HG1 VAL 20 -11.977 -11.015 -10.821 26 1HG2 VAL 20 1HG2 VAL 20 -15.817 -12.161 -12.132 27 2HG2 VAL 20 2HG2 VAL 20 -15.779 -11.031 -10.778 28 3HG2 VAL 20 3HG2 VAL 20 -15.117 -12.655 -10.591 29 H HIS 21 H HIS 21 -12.040 -8.444 -10.933 30 HA HIS 21 HA HIS 21 -10.339 -8.649 -13.326 31 1HB HIS 21 2HB HIS 21 -11.551 -6.320 -12.489 32 2HB HIS 21 1HB HIS 21 -9.954 -6.202 -11.761 33 HD1 HIS 21 1HD HIS 21 -8.876 -7.917 -14.442 34 HD2 HIS 21 2HD HIS 21 -10.672 -4.176 -14.195 35 HE1 HIS 21 1HE HIS 21 -8.198 -6.706 -16.538 36 HE2 HIS 21 2HE HIS 21 -9.214 -4.411 -16.318 37 H THR 22 H THR 22 -8.069 -7.501 -12.509 38 HA THR 22 HA THR 22 -7.125 -7.929 -9.947 39 HB THR 22 HB THR 22 -5.773 -10.147 -10.859 40 HG1 THR 22 1HG THR 22 -7.441 -11.540 -11.607 41 1HG2 THR 22 1HG2 THR 22 -7.290 -9.583 -8.692 42 2HG2 THR 22 2HG2 THR 22 -6.588 -11.160 -9.046 43 3HG2 THR 22 3HG2 THR 22 -8.263 -10.823 -9.482 44 H GLU 23 H GLU 23 -5.721 -6.279 -10.253 45 HA GLU 23 HA GLU 23 -3.484 -6.762 -12.069 46 1HB GLU 23 2HB GLU 23 -4.647 -4.008 -12.038 47 2HB GLU 23 1HB GLU 23 -3.652 -4.781 -13.262 48 1HG GLU 23 2HG GLU 23 -6.432 -5.750 -12.743 49 2HG GLU 23 1HG GLU 23 -6.147 -4.327 -13.742 50 H THR 24 H THR 24 -1.860 -4.828 -11.786 51 HA THR 24 HA THR 24 -1.568 -4.392 -8.890 52 HB THR 24 HB THR 24 0.904 -4.055 -9.544 53 HG1 THR 24 1HG THR 24 0.582 -3.962 -11.789 54 1HG2 THR 24 1HG2 THR 24 0.240 -6.860 -10.151 55 2HG2 THR 24 2HG2 THR 24 -0.330 -6.227 -8.606 56 3HG2 THR 24 3HG2 THR 24 1.389 -6.184 -8.997 57 H THR 25 H THR 25 -1.343 -2.351 -8.126 58 HA THR 25 HA THR 25 -1.285 -0.192 -10.129 59 HB THR 25 HB THR 25 -3.365 0.092 -9.167 60 HG1 THR 25 1HG THR 25 -2.061 1.972 -8.804 61 1HG2 THR 25 1HG2 THR 25 -3.019 -1.708 -7.431 62 2HG2 THR 25 2HG2 THR 25 -4.036 -0.343 -6.968 63 3HG2 THR 25 3HG2 THR 25 -2.372 -0.438 -6.394 64 H GLU 26 H GLU 26 -0.077 1.623 -9.746 65 HA GLU 26 HA GLU 26 2.010 1.345 -7.692 66 1HB GLU 26 2HB GLU 26 2.104 2.022 -10.489 67 2HB GLU 26 1HB GLU 26 2.712 3.372 -9.545 68 1HG GLU 26 2HG GLU 26 4.645 2.231 -9.788 69 2HG GLU 26 1HG GLU 26 4.052 1.427 -8.337 70 H VAL 27 H VAL 27 1.156 2.378 -5.962 71 HA VAL 27 HA VAL 27 -0.041 5.015 -6.363 72 HB VAL 27 HB VAL 27 -0.345 4.411 -3.684 73 1HG1 VAL 27 1HG1 VAL 27 -2.048 4.368 -6.103 74 2HG1 VAL 27 2HG1 VAL 27 -2.199 5.321 -4.627 75 3HG1 VAL 27 3HG1 VAL 27 -2.707 3.632 -4.643 76 1HG2 VAL 27 1HG2 VAL 27 -0.874 1.889 -5.250 77 2HG2 VAL 27 2HG2 VAL 27 -1.195 2.159 -3.538 78 3HG2 VAL 27 3HG2 VAL 27 0.467 2.110 -4.127 79 H VAL 28 H VAL 28 1.520 6.519 -6.395 80 HA VAL 28 HA VAL 28 3.760 6.387 -4.559 81 HB VAL 28 HB VAL 28 4.114 7.158 -6.873 82 1HG1 VAL 28 1HG1 VAL 28 2.937 9.809 -6.395 83 2HG1 VAL 28 2HG1 VAL 28 1.777 8.500 -6.614 84 3HG1 VAL 28 3HG1 VAL 28 2.977 8.829 -7.862 85 1HG2 VAL 28 1HG2 VAL 28 4.616 9.472 -5.025 86 2HG2 VAL 28 2HG2 VAL 28 5.614 8.888 -6.356 87 3HG2 VAL 28 3HG2 VAL 28 5.486 7.947 -4.871 88 H LEU 29 H LEU 29 3.651 7.196 -2.554 89 HA LEU 29 HA LEU 29 1.668 9.300 -2.025 90 1HB LEU 29 2HB LEU 29 2.684 7.012 -0.415 91 2HB LEU 29 1HB LEU 29 2.196 8.466 0.433 92 HG LEU 29 HG LEU 29 0.422 6.905 -1.445 93 1HD1 LEU 29 1HD1 LEU 29 1.218 6.035 0.980 94 2HD1 LEU 29 2HD1 LEU 29 -0.364 5.691 0.278 95 3HD1 LEU 29 3HD1 LEU 29 -0.179 7.012 1.431 96 1HD2 LEU 29 1HD2 LEU 29 0.210 9.528 -0.700 97 2HD2 LEU 29 2HD2 LEU 29 -0.773 8.714 0.515 98 3HD2 LEU 29 3HD2 LEU 29 -1.131 8.497 -1.197 99 H THR 30 H THR 30 2.246 10.821 -0.258 100 HA THR 30 HA THR 30 5.130 11.369 -0.161 101 HB THR 30 HB THR 30 2.942 13.415 -0.586 102 HG1 THR 30 1HG THR 30 3.453 13.345 -2.626 103 1HG2 THR 30 1HG2 THR 30 5.835 14.034 -0.859 104 2HG2 THR 30 2HG2 THR 30 5.096 14.047 0.742 105 3HG2 THR 30 3HG2 THR 30 4.476 15.105 -0.526 106 H ALA 31 H ALA 31 5.883 11.667 1.837 107 HA ALA 31 HA ALA 31 4.358 11.282 4.122 108 1HB ALA 31 1HB ALA 31 6.905 12.869 4.145 109 2HB ALA 31 2HB ALA 31 6.892 11.134 3.827 110 3HB ALA 31 3HB ALA 31 6.285 11.755 5.364 111 H ASP 32 H ASP 32 2.756 12.506 4.846 112 HA ASP 32 HA ASP 32 2.387 15.228 4.193 113 1HB ASP 32 2HB ASP 32 0.855 13.213 5.360 114 2HB ASP 32 1HB ASP 32 1.018 14.420 6.632 115 HA PRO 33 HA PRO 33 4.932 17.265 7.158 116 1HB PRO 33 2HB PRO 33 3.631 19.634 7.362 117 2HB PRO 33 1HB PRO 33 4.580 19.181 5.941 118 1HG PRO 33 2HG PRO 33 1.618 19.044 6.360 119 2HG PRO 33 1HG PRO 33 2.521 19.604 4.940 120 1HD PRO 33 2HD PRO 33 1.406 17.144 5.082 121 2HD PRO 33 1HD PRO 33 2.901 17.464 4.183 122 H VAL 34 H VAL 34 1.755 16.339 7.814 123 HA VAL 34 HA VAL 34 1.821 17.360 10.557 124 HB VAL 34 HB VAL 34 -0.424 15.862 9.204 125 1HG1 VAL 34 1HG1 VAL 34 -0.145 17.340 11.795 126 2HG1 VAL 34 2HG1 VAL 34 -0.784 15.723 11.499 127 3HG1 VAL 34 3HG1 VAL 34 -1.720 17.141 11.025 128 1HG2 VAL 34 1HG2 VAL 34 -1.329 18.389 9.345 129 2HG2 VAL 34 2HG2 VAL 34 -0.529 17.721 7.921 130 3HG2 VAL 34 3HG2 VAL 34 0.386 18.697 9.070 131 H THR 35 H THR 35 0.793 14.288 9.057 132 HA THR 35 HA THR 35 1.926 12.882 11.376 133 HB THR 35 HB THR 35 0.468 10.983 10.631 134 HG1 THR 35 1HG THR 35 -0.704 11.157 8.894 135 1HG2 THR 35 1HG2 THR 35 -1.651 12.853 10.860 136 2HG2 THR 35 2HG2 THR 35 -0.338 13.359 11.922 137 3HG2 THR 35 3HG2 THR 35 -1.018 11.739 12.072 138 H GLY 36 H GLY 36 1.583 12.561 7.840 139 1HA GLY 36 2HA GLY 36 3.701 12.196 6.608 140 2HA GLY 36 1HA GLY 36 4.118 11.041 7.863 141 H PHE 37 H PHE 37 2.666 9.161 8.080 142 HA PHE 37 HA PHE 37 1.309 8.449 5.594 143 1HB PHE 37 2HB PHE 37 3.484 6.823 6.923 144 2HB PHE 37 1HB PHE 37 2.402 6.186 5.688 145 HD1 PHE 37 1HD PHE 37 2.620 6.841 3.381 146 HD2 PHE 37 2HD PHE 37 5.188 8.459 6.366 147 HE1 PHE 37 1HE PHE 37 4.119 7.691 1.625 148 HE2 PHE 37 2HE PHE 37 6.691 9.312 4.615 149 HZ PHE 37 HZ PHE 37 6.157 8.930 2.241 150 H GLY 38 H GLY 38 -0.505 8.906 7.019 151 1HA GLY 38 2HA GLY 38 -1.060 7.468 9.364 152 2HA GLY 38 1HA GLY 38 -2.259 8.228 8.331 153 H ILE 39 H ILE 39 -0.598 6.145 6.385 154 HA ILE 39 HA ILE 39 -2.703 4.130 6.646 155 HB ILE 39 HB ILE 39 -2.321 5.061 4.415 156 1HG1 ILE 39 2HG1 ILE 39 -1.392 2.185 4.535 157 2HG1 ILE 39 1HG1 ILE 39 -3.071 2.692 4.721 158 1HG2 ILE 39 1HG2 ILE 39 -0.235 4.534 3.200 159 2HG2 ILE 39 2HG2 ILE 39 0.448 3.908 4.700 160 3HG2 ILE 39 3HG2 ILE 39 0.019 5.614 4.572 161 1HD1 ILE 39 1HD1 ILE 39 -2.040 3.849 2.341 162 2HD1 ILE 39 2HD1 ILE 39 -3.330 2.662 2.530 163 3HD1 ILE 39 3HD1 ILE 39 -1.660 2.127 2.348 164 H GLN 40 H GLN 40 -2.337 2.098 7.339 165 HA GLN 40 HA GLN 40 0.456 1.350 7.906 166 1HB GLN 40 2HB GLN 40 -1.914 0.256 9.395 167 2HB GLN 40 1HB GLN 40 -0.223 0.258 9.875 168 1HG GLN 40 2HG GLN 40 -1.962 2.705 9.659 169 2HG GLN 40 1HG GLN 40 -1.590 1.849 11.155 170 1HE2 GLN 40 1HE2 GLN 40 -0.965 4.596 9.915 171 2HE2 GLN 40 2HE2 GLN 40 0.728 4.794 10.233 172 H LEU 41 H LEU 41 1.137 -0.725 7.519 173 HA LEU 41 HA LEU 41 -0.706 -2.474 6.030 174 1HB LEU 41 2HB LEU 41 2.195 -2.571 5.399 175 2HB LEU 41 1HB LEU 41 0.814 -2.869 4.362 176 HG LEU 41 HG LEU 41 0.422 -0.325 4.482 177 1HD1 LEU 41 1HD1 LEU 41 3.064 -0.614 5.800 178 2HD1 LEU 41 2HD1 LEU 41 1.775 0.555 6.088 179 3HD1 LEU 41 3HD1 LEU 41 2.835 0.737 4.690 180 1HD2 LEU 41 1HD2 LEU 41 1.447 -1.806 2.600 181 2HD2 LEU 41 2HD2 LEU 41 2.956 -1.016 3.062 182 3HD2 LEU 41 3HD2 LEU 41 1.586 -0.049 2.512 183 H GLN 42 H GLN 42 -0.940 -4.402 6.973 184 HA GLN 42 HA GLN 42 1.095 -5.239 8.921 185 1HB GLN 42 2HB GLN 42 -1.603 -6.527 8.704 186 2HB GLN 42 1HB GLN 42 -0.547 -6.392 10.103 187 1HG GLN 42 2HG GLN 42 -1.148 -4.169 10.491 188 2HG GLN 42 1HG GLN 42 -1.829 -3.976 8.877 189 1HE2 GLN 42 1HE2 GLN 42 -3.744 -5.329 8.396 190 2HE2 GLN 42 2HE2 GLN 42 -4.897 -5.582 9.666 191 H GLY 43 H GLY 43 2.153 -7.137 8.763 192 1HA GLY 43 2HA GLY 43 1.855 -8.598 6.247 193 2HA GLY 43 1HA GLY 43 3.211 -8.718 7.360 194 H SER 44 H SER 44 -0.277 -9.009 7.914 195 HA SER 44 HA SER 44 -1.508 -10.617 8.952 196 1HB SER 44 2HB SER 44 0.364 -12.146 7.194 197 2HB SER 44 1HB SER 44 -0.643 -13.037 8.333 198 HG SER 44 HG SER 44 -1.653 -11.137 6.488 199 H VAL 45 H VAL 45 -0.192 -9.539 10.791 200 HA VAL 45 HA VAL 45 0.645 -11.648 12.564 201 HB VAL 45 HB VAL 45 2.689 -10.776 11.235 202 1HG1 VAL 45 1HG1 VAL 45 2.172 -8.389 11.554 203 2HG1 VAL 45 2HG1 VAL 45 3.780 -8.822 12.138 204 3HG1 VAL 45 3HG1 VAL 45 2.461 -8.579 13.284 205 1HG2 VAL 45 1HG2 VAL 45 2.879 -12.283 13.117 206 2HG2 VAL 45 2HG2 VAL 45 2.699 -10.940 14.245 207 3HG2 VAL 45 3HG2 VAL 45 4.131 -11.044 13.221 208 H PHE 46 H PHE 46 0.207 -8.261 11.986 209 HA PHE 46 HA PHE 46 -0.352 -7.745 14.806 210 1HB PHE 46 2HB PHE 46 1.085 -6.202 13.387 211 2HB PHE 46 1HB PHE 46 -0.395 -5.738 12.553 212 HD1 PHE 46 1HD PHE 46 -1.217 -3.711 13.213 213 HD2 PHE 46 2HD PHE 46 0.629 -6.219 16.114 214 HE1 PHE 46 1HE PHE 46 -1.671 -2.028 14.950 215 HE2 PHE 46 2HE PHE 46 0.178 -4.541 17.857 216 HZ PHE 46 HZ PHE 46 -0.974 -2.444 17.276 217 H ALA 47 H ALA 47 -2.155 -9.356 13.113 218 HA ALA 47 HA ALA 47 -4.608 -7.937 13.756 219 1HB ALA 47 1HB ALA 47 -5.411 -8.792 11.366 220 2HB ALA 47 2HB ALA 47 -3.711 -8.511 10.992 221 3HB ALA 47 3HB ALA 47 -4.707 -7.194 11.612 222 H THR 48 H THR 48 -6.153 -9.288 14.484 223 HA THR 48 HA THR 48 -5.557 -11.955 15.052 224 HB THR 48 HB THR 48 -8.395 -11.044 14.956 225 HG1 THR 48 1HG THR 48 -8.126 -9.597 16.500 226 1HG2 THR 48 1HG2 THR 48 -8.356 -13.051 16.032 227 2HG2 THR 48 2HG2 THR 48 -8.128 -11.959 17.398 228 3HG2 THR 48 3HG2 THR 48 -6.742 -12.791 16.695 229 H GLU 49 H GLU 49 -6.734 -10.545 12.202 230 HA GLU 49 HA GLU 49 -8.103 -12.910 11.250 231 1HB GLU 49 2HB GLU 49 -7.827 -10.128 10.405 232 2HB GLU 49 1HB GLU 49 -7.730 -11.257 9.061 233 1HG GLU 49 2HG GLU 49 -9.977 -10.827 9.145 234 2HG GLU 49 1HG GLU 49 -9.864 -12.292 10.118 235 H THR 50 H THR 50 -6.768 -14.598 10.912 236 HA THR 50 HA THR 50 -5.138 -15.890 9.994 237 HB THR 50 HB THR 50 -4.750 -13.820 7.871 238 HG1 THR 50 1HG THR 50 -6.927 -15.624 8.016 239 1HG2 THR 50 1HG2 THR 50 -4.789 -15.863 6.414 240 2HG2 THR 50 2HG2 THR 50 -4.738 -16.818 7.896 241 3HG2 THR 50 3HG2 THR 50 -3.412 -15.722 7.507 242 H LEU 51 H LEU 51 -2.800 -15.988 9.403 243 HA LEU 51 HA LEU 51 -1.166 -13.708 10.026 244 1HB LEU 51 2HB LEU 51 -1.965 -15.301 12.164 245 2HB LEU 51 1HB LEU 51 -0.343 -15.856 11.796 246 HG LEU 51 HG LEU 51 -0.588 -12.940 11.885 247 1HD1 LEU 51 1HD1 LEU 51 -0.661 -14.214 14.564 248 2HD1 LEU 51 2HD1 LEU 51 -2.184 -13.975 13.706 249 3HD1 LEU 51 3HD1 LEU 51 -1.148 -12.593 14.062 250 1HD2 LEU 51 1HD2 LEU 51 1.323 -13.638 13.661 251 2HD2 LEU 51 2HD2 LEU 51 1.595 -13.483 11.927 252 3HD2 LEU 51 3HD2 LEU 51 1.296 -15.071 12.633 253 H SER 52 H SER 52 1.254 -14.582 10.263 254 HA SER 52 HA SER 52 3.027 -15.508 9.176 255 1HB SER 52 2HB SER 52 1.512 -17.576 10.036 256 2HB SER 52 1HB SER 52 1.541 -17.898 8.304 257 HG SER 52 HG SER 52 3.688 -17.774 10.124 258 H SER 53 H SER 53 0.995 -13.962 7.722 259 HA SER 53 HA SER 53 1.420 -14.996 4.998 260 1HB SER 53 2HB SER 53 -0.933 -14.055 6.292 261 2HB SER 53 1HB SER 53 -0.528 -12.903 5.018 262 HG SER 53 HG SER 53 -0.759 -15.715 4.687 263 HA PRO 54 HA PRO 54 3.769 -11.483 3.760 264 1HB PRO 54 2HB PRO 54 2.561 -10.567 1.494 265 2HB PRO 54 1HB PRO 54 3.530 -12.042 1.554 266 1HG PRO 54 2HG PRO 54 0.557 -11.723 1.637 267 2HG PRO 54 1HG PRO 54 1.533 -12.911 0.753 268 1HD PRO 54 2HD PRO 54 0.278 -13.506 3.067 269 2HD PRO 54 1HD PRO 54 1.830 -14.239 2.617 270 HA PRO 55 HA PRO 55 1.963 -7.640 5.005 271 1HB PRO 55 2HB PRO 55 3.477 -5.814 3.791 272 2HB PRO 55 1HB PRO 55 4.160 -6.927 4.982 273 1HG PRO 55 2HG PRO 55 4.319 -7.007 2.000 274 2HG PRO 55 1HG PRO 55 5.561 -7.397 3.202 275 1HD PRO 55 2HD PRO 55 3.983 -9.253 1.870 276 2HD PRO 55 1HD PRO 55 4.855 -9.552 3.385 277 H LEU 56 H LEU 56 0.414 -6.169 4.554 278 HA LEU 56 HA LEU 56 -0.105 -5.258 1.880 279 1HB LEU 56 2HB LEU 56 -2.526 -6.070 1.993 280 2HB LEU 56 1HB LEU 56 -1.296 -7.231 1.545 281 HG LEU 56 HG LEU 56 -3.048 -8.099 3.105 282 1HD1 LEU 56 1HD1 LEU 56 -0.535 -8.292 4.638 283 2HD1 LEU 56 2HD1 LEU 56 -0.452 -8.740 2.935 284 3HD1 LEU 56 3HD1 LEU 56 -1.586 -9.560 4.007 285 1HD2 LEU 56 1HD2 LEU 56 -1.663 -6.468 5.214 286 2HD2 LEU 56 2HD2 LEU 56 -3.133 -7.433 5.363 287 3HD2 LEU 56 3HD2 LEU 56 -3.147 -5.938 4.424 288 H ILE 57 H ILE 57 -1.894 -3.687 1.814 289 HA ILE 57 HA ILE 57 -1.839 -2.034 4.177 290 HB ILE 57 HB ILE 57 -3.297 -1.635 1.561 291 1HG1 ILE 57 2HG1 ILE 57 -0.992 0.068 2.188 292 2HG1 ILE 57 1HG1 ILE 57 -0.582 -1.633 1.987 293 1HG2 ILE 57 1HG2 ILE 57 -4.285 -0.361 3.414 294 2HG2 ILE 57 2HG2 ILE 57 -3.513 0.695 2.231 295 3HG2 ILE 57 3HG2 ILE 57 -2.707 0.346 3.761 296 1HD1 ILE 57 1HD1 ILE 57 -0.403 -0.289 -0.084 297 2HD1 ILE 57 2HD1 ILE 57 -2.147 -0.026 -0.014 298 3HD1 ILE 57 3HD1 ILE 57 -1.506 -1.658 -0.214 299 H SER 58 H SER 58 -3.485 -1.627 5.589 300 HA SER 58 HA SER 58 -6.185 -2.418 5.076 301 1HB SER 58 2HB SER 58 -5.027 -4.605 5.631 302 2HB SER 58 1HB SER 58 -4.769 -3.963 7.252 303 HG SER 58 HG SER 58 -7.142 -3.619 7.229 304 H TYR 59 H TYR 59 -5.021 0.012 5.795 305 HA TYR 59 HA TYR 59 -6.657 0.794 7.934 306 1HB TYR 59 2HB TYR 59 -4.904 -0.462 9.225 307 2HB TYR 59 1HB TYR 59 -3.730 0.731 8.677 308 HD1 TYR 59 1HD TYR 59 -6.405 0.016 11.009 309 HD2 TYR 59 2HD TYR 59 -3.948 3.100 9.413 310 HE1 TYR 59 1HE TYR 59 -7.003 1.465 12.903 311 HE2 TYR 59 2HE TYR 59 -4.539 4.558 11.304 312 HH TYR 59 HH TYR 59 -7.095 3.915 13.391 313 H ILE 60 H ILE 60 -7.139 2.822 7.530 314 HA ILE 60 HA ILE 60 -5.057 4.642 6.541 315 HB ILE 60 HB ILE 60 -7.845 4.875 5.462 316 1HG1 ILE 60 2HG1 ILE 60 -5.655 3.351 4.047 317 2HG1 ILE 60 1HG1 ILE 60 -6.896 2.548 5.003 318 1HG2 ILE 60 1HG2 ILE 60 -5.115 5.784 4.581 319 2HG2 ILE 60 2HG2 ILE 60 -6.473 6.778 5.109 320 3HG2 ILE 60 3HG2 ILE 60 -6.554 5.920 3.570 321 1HD1 ILE 60 1HD1 ILE 60 -7.049 3.762 2.342 322 2HD1 ILE 60 2HD1 ILE 60 -8.419 4.098 3.400 323 3HD1 ILE 60 3HD1 ILE 60 -7.967 2.431 3.044 324 H GLU 61 H GLU 61 -5.431 6.884 7.049 325 HA GLU 61 HA GLU 61 -7.127 7.174 9.425 326 1HB GLU 61 2HB GLU 61 -4.514 7.842 9.049 327 2HB GLU 61 1HB GLU 61 -5.305 9.374 8.705 328 1HG GLU 61 2HG GLU 61 -6.204 9.529 10.851 329 2HG GLU 61 1HG GLU 61 -5.940 7.817 11.183 330 H ALA 62 H ALA 62 -8.361 9.082 9.745 331 HA ALA 62 HA ALA 62 -9.740 9.898 7.350 332 1HB ALA 62 1HB ALA 62 -10.181 10.149 10.269 333 2HB ALA 62 2HB ALA 62 -11.285 9.629 8.996 334 3HB ALA 62 3HB ALA 62 -10.947 11.345 9.225 335 H ASP 63 H ASP 63 -7.134 10.736 7.256 336 HA ASP 63 HA ASP 63 -7.231 13.323 6.426 337 1HB ASP 63 2HB ASP 63 -7.143 13.183 9.323 338 2HB ASP 63 1HB ASP 63 -5.744 14.043 8.687 339 H SER 64 H SER 64 -5.898 10.749 6.003 340 HA SER 64 HA SER 64 -3.084 11.602 6.165 341 1HB SER 64 2HB SER 64 -3.420 9.549 7.390 342 2HB SER 64 1HB SER 64 -4.278 8.823 6.031 343 HG SER 64 HG SER 64 -2.381 8.124 5.473 344 HA PRO 65 HA PRO 65 -2.733 12.182 1.812 345 1HB PRO 65 2HB PRO 65 -0.386 10.346 2.077 346 2HB PRO 65 1HB PRO 65 -0.504 11.905 1.252 347 1HG PRO 65 2HG PRO 65 0.659 11.720 3.641 348 2HG PRO 65 1HG PRO 65 -0.358 13.112 3.227 349 1HD PRO 65 2HD PRO 65 -0.932 10.817 5.024 350 2HD PRO 65 1HD PRO 65 -1.524 12.487 5.100 351 H ALA 66 H ALA 66 -2.440 8.916 3.123 352 HA ALA 66 HA ALA 66 -2.833 7.541 0.680 353 1HB ALA 66 1HB ALA 66 -3.302 6.681 3.530 354 2HB ALA 66 2HB ALA 66 -1.870 6.383 2.545 355 3HB ALA 66 3HB ALA 66 -3.399 5.603 2.139 356 H GLU 67 H GLU 67 -5.059 8.502 3.272 357 HA GLU 67 HA GLU 67 -7.385 7.381 2.127 358 1HB GLU 67 2HB GLU 67 -6.737 8.686 4.491 359 2HB GLU 67 1HB GLU 67 -7.853 9.789 3.700 360 1HG GLU 67 2HG GLU 67 -8.359 6.915 4.405 361 2HG GLU 67 1HG GLU 67 -9.059 8.339 5.171 362 H ARG 68 H ARG 68 -5.854 10.542 1.874 363 HA ARG 68 HA ARG 68 -7.967 11.571 0.179 364 1HB ARG 68 2HB ARG 68 -5.374 12.775 1.151 365 2HB ARG 68 1HB ARG 68 -6.530 13.623 0.132 366 1HG ARG 68 2HG ARG 68 -7.326 14.370 2.088 367 2HG ARG 68 1HG ARG 68 -8.149 12.810 2.130 368 1HD ARG 68 2HD ARG 68 -5.461 12.584 3.152 369 2HD ARG 68 1HD ARG 68 -6.354 13.838 4.011 370 HE ARG 68 HE ARG 68 -6.659 11.081 4.370 371 1HH1 ARG 68 1HH1 ARG 68 -8.645 13.929 3.933 372 2HH1 ARG 68 2HH1 ARG 68 -9.999 13.265 4.784 373 1HH2 ARG 68 1HH2 ARG 68 -8.445 10.222 5.501 374 2HH2 ARG 68 2HH2 ARG 68 -9.886 11.167 5.672 375 H CYS 69 H CYS 69 -5.226 9.697 -0.301 376 HA CYS 69 HA CYS 69 -4.036 10.702 -2.586 377 1HB CYS 69 2HB CYS 69 -3.272 8.706 -1.281 378 2HB CYS 69 1HB CYS 69 -4.564 7.777 -2.034 379 HG CYS 69 HG CYS 69 -1.929 8.026 -3.202 380 H GLY 70 H GLY 70 -7.164 9.265 -2.198 381 1HA GLY 70 2HA GLY 70 -8.920 9.083 -3.672 382 2HA GLY 70 1HA GLY 70 -7.983 10.048 -4.804 383 H VAL 71 H VAL 71 -6.715 7.091 -3.483 384 HA VAL 71 HA VAL 71 -7.609 5.340 -5.521 385 HB VAL 71 HB VAL 71 -6.137 6.732 -6.918 386 1HG1 VAL 71 1HG1 VAL 71 -4.351 7.602 -5.888 387 2HG1 VAL 71 2HG1 VAL 71 -3.567 6.067 -6.262 388 3HG1 VAL 71 3HG1 VAL 71 -4.302 6.318 -4.679 389 1HG2 VAL 71 1HG2 VAL 71 -5.386 4.966 -8.114 390 2HG2 VAL 71 2HG2 VAL 71 -6.329 4.055 -6.936 391 3HG2 VAL 71 3HG2 VAL 71 -4.585 4.226 -6.729 392 H LEU 72 H LEU 72 -7.273 5.369 -2.667 393 HA LEU 72 HA LEU 72 -5.664 2.941 -2.401 394 1HB LEU 72 2HB LEU 72 -5.261 5.504 -0.939 395 2HB LEU 72 1HB LEU 72 -5.036 4.007 -0.054 396 HG LEU 72 HG LEU 72 -3.570 4.737 -2.590 397 1HD1 LEU 72 1HD1 LEU 72 -1.626 5.034 -1.116 398 2HD1 LEU 72 2HD1 LEU 72 -2.674 4.818 0.286 399 3HD1 LEU 72 3HD1 LEU 72 -2.906 6.200 -0.783 400 1HD2 LEU 72 1HD2 LEU 72 -2.088 2.825 -1.539 401 2HD2 LEU 72 2HD2 LEU 72 -3.462 2.454 -2.581 402 3HD2 LEU 72 3HD2 LEU 72 -3.627 2.341 -0.829 403 H GLN 73 H GLN 73 -6.341 1.533 -0.773 404 HA GLN 73 HA GLN 73 -8.349 2.183 1.122 405 1HB GLN 73 2HB GLN 73 -9.229 1.358 -1.516 406 2HB GLN 73 1HB GLN 73 -9.784 0.239 -0.280 407 1HG GLN 73 2HG GLN 73 -10.194 3.218 -0.182 408 2HG GLN 73 1HG GLN 73 -11.379 2.063 -0.789 409 1HE2 GLN 73 1HE2 GLN 73 -12.637 3.166 0.945 410 2HE2 GLN 73 2HE2 GLN 73 -12.558 2.491 2.541 411 H ILE 74 H ILE 74 -9.265 0.089 2.126 412 HA ILE 74 HA ILE 74 -7.049 -1.539 2.856 413 HB ILE 74 HB ILE 74 -9.972 -2.022 3.439 414 1HG1 ILE 74 2HG1 ILE 74 -7.891 -0.466 4.990 415 2HG1 ILE 74 1HG1 ILE 74 -9.307 0.203 4.186 416 1HG2 ILE 74 1HG2 ILE 74 -7.566 -3.468 4.087 417 2HG2 ILE 74 2HG2 ILE 74 -9.249 -3.902 4.381 418 3HG2 ILE 74 3HG2 ILE 74 -8.378 -2.913 5.552 419 1HD1 ILE 74 1HD1 ILE 74 -10.423 -1.651 5.843 420 2HD1 ILE 74 2HD1 ILE 74 -10.257 0.069 6.197 421 3HD1 ILE 74 3HD1 ILE 74 -9.054 -1.074 6.793 422 H GLY 75 H GLY 75 -6.295 -3.302 1.893 423 1HA GLY 75 2HA GLY 75 -7.135 -5.586 1.117 424 2HA GLY 75 1HA GLY 75 -8.021 -4.654 -0.080 425 H ASP 76 H ASP 76 -5.693 -2.738 -0.245 426 HA ASP 76 HA ASP 76 -4.452 -3.810 -2.498 427 1HB ASP 76 2HB ASP 76 -3.450 -1.643 -0.641 428 2HB ASP 76 1HB ASP 76 -2.834 -1.954 -2.260 429 H ARG 77 H ARG 77 -2.939 -5.314 -2.738 430 HA ARG 77 HA ARG 77 -1.494 -6.243 -0.378 431 1HB ARG 77 2HB ARG 77 -2.208 -7.409 -3.019 432 2HB ARG 77 1HB ARG 77 -0.736 -7.990 -2.251 433 1HG ARG 77 2HG ARG 77 -2.387 -8.187 -0.168 434 2HG ARG 77 1HG ARG 77 -3.562 -8.364 -1.471 435 1HD ARG 77 2HD ARG 77 -1.258 -9.952 -2.057 436 2HD ARG 77 1HD ARG 77 -1.808 -10.312 -0.421 437 HE ARG 77 HE ARG 77 -3.139 -10.962 -2.879 438 1HH1 ARG 77 1HH1 ARG 77 -3.593 -10.334 0.524 439 2HH1 ARG 77 2HH1 ARG 77 -5.069 -11.236 0.621 440 1HH2 ARG 77 1HH2 ARG 77 -5.079 -12.151 -2.753 441 2HH2 ARG 77 2HH2 ARG 77 -5.912 -12.269 -1.240 442 H VAL 78 H VAL 78 0.200 -4.893 -0.031 443 HA VAL 78 HA VAL 78 1.872 -3.916 -2.151 444 HB VAL 78 HB VAL 78 3.394 -3.254 -0.179 445 1HG1 VAL 78 1HG1 VAL 78 0.592 -2.147 -0.309 446 2HG1 VAL 78 2HG1 VAL 78 1.928 -1.693 -1.368 447 3HG1 VAL 78 3HG1 VAL 78 2.005 -1.327 0.356 448 1HG2 VAL 78 1HG2 VAL 78 0.996 -3.557 1.545 449 2HG2 VAL 78 2HG2 VAL 78 2.704 -3.515 1.980 450 3HG2 VAL 78 3HG2 VAL 78 2.008 -4.975 1.277 451 H MET 79 H MET 79 3.374 -5.053 -3.161 452 HA MET 79 HA MET 79 5.017 -6.935 -1.639 453 1HB MET 79 2HB MET 79 3.081 -8.114 -2.836 454 2HB MET 79 1HB MET 79 3.910 -7.704 -4.332 455 1HG MET 79 2HG MET 79 5.949 -8.852 -3.224 456 2HG MET 79 1HG MET 79 4.743 -9.577 -2.163 457 1HE MET 79 1HE MET 79 6.387 -9.292 -5.447 458 2HE MET 79 2HE MET 79 5.853 -10.701 -6.364 459 3HE MET 79 3HE MET 79 6.822 -10.913 -4.905 460 H ALA 80 H ALA 80 5.396 -4.255 -2.827 461 HA ALA 80 HA ALA 80 7.985 -4.573 -3.836 462 1HB ALA 80 1HB ALA 80 5.857 -4.725 -5.838 463 2HB ALA 80 2HB ALA 80 7.549 -5.208 -5.941 464 3HB ALA 80 3HB ALA 80 7.096 -3.523 -6.200 465 H ILE 81 H ILE 81 7.445 -2.978 -1.942 466 HA ILE 81 HA ILE 81 6.722 -0.324 -2.911 467 HB ILE 81 HB ILE 81 7.493 -1.115 -0.105 468 1HG1 ILE 81 2HG1 ILE 81 4.681 -0.804 -1.154 469 2HG1 ILE 81 1HG1 ILE 81 5.498 -2.366 -1.099 470 1HG2 ILE 81 1HG2 ILE 81 7.560 1.141 0.008 471 2HG2 ILE 81 2HG2 ILE 81 5.814 0.958 0.162 472 3HG2 ILE 81 3HG2 ILE 81 6.524 1.351 -1.403 473 1HD1 ILE 81 1HD1 ILE 81 5.336 -0.706 1.370 474 2HD1 ILE 81 2HD1 ILE 81 5.452 -2.456 1.194 475 3HD1 ILE 81 3HD1 ILE 81 3.933 -1.633 0.839 476 H ASN 82 H ASN 82 8.137 1.250 -3.326 477 HA ASN 82 HA ASN 82 10.154 2.182 -3.868 478 1HB ASN 82 2HB ASN 82 11.542 2.709 -1.934 479 2HB ASN 82 1HB ASN 82 9.837 2.884 -1.526 480 1HD2 ASN 82 1HD2 ASN 82 12.636 0.780 -1.237 481 2HD2 ASN 82 2HD2 ASN 82 12.112 -0.023 0.209 482 H GLY 83 H GLY 83 9.967 -0.664 -4.442 483 1HA GLY 83 2HA GLY 83 11.636 -1.899 -5.614 484 2HA GLY 83 1HA GLY 83 12.850 -1.214 -4.544 485 H ILE 84 H ILE 84 11.719 -1.737 -2.067 486 HA ILE 84 HA ILE 84 12.417 -4.476 -1.727 487 HB ILE 84 HB ILE 84 11.083 -2.667 0.284 488 1HG1 ILE 84 2HG1 ILE 84 13.199 -1.756 -0.831 489 2HG1 ILE 84 1HG1 ILE 84 13.202 -1.847 0.928 490 1HG2 ILE 84 1HG2 ILE 84 11.028 -4.815 1.166 491 2HG2 ILE 84 2HG2 ILE 84 12.514 -4.143 1.839 492 3HG2 ILE 84 3HG2 ILE 84 12.587 -5.250 0.467 493 1HD1 ILE 84 1HD1 ILE 84 14.967 -3.189 0.927 494 2HD1 ILE 84 2HD1 ILE 84 15.126 -2.835 -0.794 495 3HD1 ILE 84 3HD1 ILE 84 14.240 -4.266 -0.265 496 HA PRO 85 HA PRO 85 8.138 -5.808 -2.304 497 1HB PRO 85 2HB PRO 85 8.659 -8.240 -3.247 498 2HB PRO 85 1HB PRO 85 8.984 -6.804 -4.225 499 1HG PRO 85 2HG PRO 85 10.880 -8.550 -2.733 500 2HG PRO 85 1HG PRO 85 11.107 -7.701 -4.270 501 1HD PRO 85 2HD PRO 85 11.980 -6.845 -1.726 502 2HD PRO 85 1HD PRO 85 11.957 -5.883 -3.215 503 H THR 86 H THR 86 10.070 -6.279 0.179 504 HA THR 86 HA THR 86 9.926 -7.329 2.188 505 HB THR 86 HB THR 86 7.808 -7.830 3.033 506 HG1 THR 86 1HG THR 86 6.516 -9.094 2.003 507 1HG2 THR 86 1HG2 THR 86 6.782 -5.904 2.677 508 2HG2 THR 86 2HG2 THR 86 6.452 -6.314 0.993 509 3HG2 THR 86 3HG2 THR 86 7.990 -5.574 1.435 510 H GLU 87 H GLU 87 10.201 -9.370 3.170 511 HA GLU 87 HA GLU 87 10.388 -11.593 1.243 512 1HB GLU 87 2HB GLU 87 12.019 -11.205 3.757 513 2HB GLU 87 1HB GLU 87 12.237 -12.460 2.547 514 1HG GLU 87 2HG GLU 87 12.561 -10.423 0.935 515 2HG GLU 87 1HG GLU 87 12.940 -9.573 2.433 516 H ASP 88 H ASP 88 8.791 -12.993 1.528 517 HA ASP 88 HA ASP 88 7.320 -14.427 2.493 518 1HB ASP 88 2HB ASP 88 9.316 -14.204 4.747 519 2HB ASP 88 1HB ASP 88 7.934 -15.295 4.797 520 H SER 89 H SER 89 8.162 -12.766 5.506 521 HA SER 89 HA SER 89 5.834 -11.092 5.453 522 1HB SER 89 2HB SER 89 4.745 -12.111 7.434 523 2HB SER 89 1HB SER 89 4.757 -13.200 6.047 524 HG SER 89 HG SER 89 6.732 -13.268 8.076 525 H THR 90 H THR 90 6.608 -9.277 6.290 526 HA THR 90 HA THR 90 7.980 -9.357 8.858 527 HB THR 90 HB THR 90 9.670 -7.665 7.891 528 HG1 THR 90 1HG THR 90 10.031 -7.820 5.707 529 1HG2 THR 90 1HG2 THR 90 11.067 -9.537 6.847 530 2HG2 THR 90 2HG2 THR 90 9.743 -10.598 7.325 531 3HG2 THR 90 3HG2 THR 90 10.618 -9.676 8.547 532 H PHE 91 H PHE 91 6.231 -8.318 9.784 533 HA PHE 91 HA PHE 91 4.887 -6.097 8.748 534 1HB PHE 91 2HB PHE 91 3.974 -7.394 10.592 535 2HB PHE 91 1HB PHE 91 5.316 -6.924 11.629 536 HD1 PHE 91 1HD PHE 91 3.016 -5.030 9.381 537 HD2 PHE 91 2HD PHE 91 4.596 -5.533 13.299 538 HE1 PHE 91 1HE PHE 91 1.733 -3.075 10.144 539 HE2 PHE 91 2HE PHE 91 3.315 -3.579 14.071 540 HZ PHE 91 HZ PHE 91 1.880 -2.347 12.491 541 H GLU 92 H GLU 92 7.691 -6.293 10.904 542 HA GLU 92 HA GLU 92 7.985 -3.552 11.401 543 1HB GLU 92 2HB GLU 92 9.272 -5.819 12.219 544 2HB GLU 92 1HB GLU 92 10.488 -5.085 11.182 545 1HG GLU 92 2HG GLU 92 10.588 -3.139 12.496 546 2HG GLU 92 1HG GLU 92 9.102 -3.551 13.354 547 H GLU 93 H GLU 93 8.957 -5.543 8.692 548 HA GLU 93 HA GLU 93 10.760 -3.730 7.500 549 1HB GLU 93 2HB GLU 93 10.720 -6.072 6.860 550 2HB GLU 93 1HB GLU 93 9.067 -5.920 6.283 551 1HG GLU 93 2HG GLU 93 9.780 -5.330 4.284 552 2HG GLU 93 1HG GLU 93 10.681 -3.978 4.971 553 H ALA 94 H ALA 94 7.284 -4.291 7.055 554 HA ALA 94 HA ALA 94 6.847 -2.481 4.975 555 1HB ALA 94 1HB ALA 94 4.965 -3.256 7.202 556 2HB ALA 94 2HB ALA 94 5.178 -4.112 5.675 557 3HB ALA 94 3HB ALA 94 4.504 -2.483 5.685 558 H ASN 95 H ASN 95 6.589 -1.992 8.493 559 HA ASN 95 HA ASN 95 5.864 0.707 8.433 560 1HB ASN 95 2HB ASN 95 7.081 -1.116 10.440 561 2HB ASN 95 1HB ASN 95 7.248 0.611 10.737 562 1HD2 ASN 95 1HD2 ASN 95 4.930 -1.964 10.148 563 2HD2 ASN 95 2HD2 ASN 95 3.597 -1.197 10.951 564 H GLN 96 H GLN 96 9.010 -0.848 8.256 565 HA GLN 96 HA GLN 96 10.612 1.419 8.581 566 1HB GLN 96 2HB GLN 96 11.534 -0.812 8.756 567 2HB GLN 96 1HB GLN 96 11.114 -1.155 7.084 568 1HG GLN 96 2HG GLN 96 13.231 -0.615 6.664 569 2HG GLN 96 1HG GLN 96 12.668 1.049 6.798 570 1HE2 GLN 96 1HE2 GLN 96 12.660 1.899 9.095 571 2HE2 GLN 96 2HE2 GLN 96 14.054 1.526 10.057 572 H LEU 97 H LEU 97 9.239 -0.103 5.691 573 HA LEU 97 HA LEU 97 10.455 1.532 3.774 574 1HB LEU 97 2HB LEU 97 7.702 0.307 3.606 575 2HB LEU 97 1HB LEU 97 8.715 0.800 2.261 576 HG LEU 97 HG LEU 97 9.789 -1.256 4.131 577 1HD1 LEU 97 1HD1 LEU 97 8.407 -2.925 3.555 578 2HD1 LEU 97 2HD1 LEU 97 8.214 -2.335 1.905 579 3HD1 LEU 97 3HD1 LEU 97 7.262 -1.628 3.209 580 1HD2 LEU 97 1HD2 LEU 97 9.891 -1.121 1.130 581 2HD2 LEU 97 2HD2 LEU 97 10.959 -1.998 2.226 582 3HD2 LEU 97 3HD2 LEU 97 11.017 -0.236 2.158 583 H LEU 98 H LEU 98 7.428 1.917 5.570 584 HA LEU 98 HA LEU 98 6.530 4.236 4.251 585 1HB LEU 98 2HB LEU 98 6.026 3.234 7.052 586 2HB LEU 98 1HB LEU 98 5.194 4.605 6.346 587 HG LEU 98 HG LEU 98 5.054 1.742 5.405 588 1HD1 LEU 98 1HD1 LEU 98 2.530 2.448 5.900 589 2HD1 LEU 98 2HD1 LEU 98 3.343 3.486 7.070 590 3HD1 LEU 98 3HD1 LEU 98 3.582 1.740 7.125 591 1HD2 LEU 98 1HD2 LEU 98 3.905 4.267 4.238 592 2HD2 LEU 98 2HD2 LEU 98 3.304 2.657 3.847 593 3HD2 LEU 98 3HD2 LEU 98 4.967 3.096 3.456 594 H ARG 99 H ARG 99 8.692 3.756 6.986 595 HA ARG 99 HA ARG 99 8.892 6.556 7.598 596 1HB ARG 99 2HB ARG 99 10.460 4.140 8.498 597 2HB ARG 99 1HB ARG 99 10.820 5.770 9.048 598 1HG ARG 99 2HG ARG 99 8.774 5.959 10.182 599 2HG ARG 99 1HG ARG 99 8.098 4.551 9.361 600 1HD ARG 99 2HD ARG 99 9.714 3.112 10.511 601 2HD ARG 99 1HD ARG 99 10.377 4.521 11.336 602 HE ARG 99 HE ARG 99 8.020 3.076 12.035 603 1HH1 ARG 99 1HH1 ARG 99 9.467 6.253 12.072 604 2HH1 ARG 99 2HH1 ARG 99 8.530 6.801 13.422 605 1HH2 ARG 99 1HH2 ARG 99 6.788 3.795 13.809 606 2HH2 ARG 99 2HH2 ARG 99 7.009 5.406 14.409 607 H ASP 100 H ASP 100 10.583 4.301 5.556 608 HA ASP 100 HA ASP 100 12.921 5.904 5.196 609 1HB ASP 100 2HB ASP 100 12.328 3.303 4.680 610 2HB ASP 100 1HB ASP 100 12.215 3.991 3.063 611 H SER 101 H SER 101 9.786 6.315 4.152 612 HA SER 101 HA SER 101 10.246 7.265 1.505 613 1HB SER 101 2HB SER 101 7.914 8.034 3.255 614 2HB SER 101 1HB SER 101 7.962 7.893 1.498 615 HG SER 101 HG SER 101 8.476 5.573 1.995 616 H SER 102 H SER 102 10.454 8.666 4.672 617 HA SER 102 HA SER 102 10.142 11.372 4.064 618 1HB SER 102 2HB SER 102 12.189 10.601 6.089 619 2HB SER 102 1HB SER 102 10.884 11.783 6.199 620 HG SER 102 HG SER 102 9.462 9.855 6.183 621 H ILE 103 H ILE 103 12.793 9.206 3.453 622 HA ILE 103 HA ILE 103 14.934 10.933 3.223 623 HB ILE 103 HB ILE 103 14.314 8.525 1.531 624 1HG1 ILE 103 2HG1 ILE 103 14.375 8.241 4.030 625 2HG1 ILE 103 1HG1 ILE 103 15.564 7.300 3.147 626 1HG2 ILE 103 1HG2 ILE 103 16.948 9.922 2.005 627 2HG2 ILE 103 2HG2 ILE 103 16.029 9.940 0.500 628 3HG2 ILE 103 3HG2 ILE 103 16.715 8.429 1.096 629 1HD1 ILE 103 1HD1 ILE 103 17.223 9.119 3.666 630 2HD1 ILE 103 2HD1 ILE 103 16.663 8.164 5.039 631 3HD1 ILE 103 3HD1 ILE 103 16.012 9.780 4.765 632 H THR 104 H THR 104 12.583 10.030 0.708 633 HA THR 104 HA THR 104 13.579 12.241 -0.951 634 HB THR 104 HB THR 104 13.636 10.264 -2.217 635 HG1 THR 104 1HG THR 104 11.949 10.568 -3.749 636 1HG2 THR 104 1HG2 THR 104 11.365 8.964 -2.470 637 2HG2 THR 104 2HG2 THR 104 11.103 9.579 -0.837 638 3HG2 THR 104 3HG2 THR 104 12.512 8.578 -1.187 639 H SER 105 H SER 105 11.232 11.701 1.275 640 HA SER 105 HA SER 105 9.467 12.998 1.918 641 1HB SER 105 2HB SER 105 9.463 14.433 -0.724 642 2HB SER 105 1HB SER 105 8.943 15.021 0.855 643 HG SER 105 HG SER 105 11.459 14.953 -0.267 644 H LYS 106 H LYS 106 9.565 10.906 -0.656 645 HA LYS 106 HA LYS 106 6.737 10.418 -0.464 646 1HB LYS 106 2HB LYS 106 6.240 10.628 -2.825 647 2HB LYS 106 1HB LYS 106 6.836 12.162 -2.207 648 1HG LYS 106 2HG LYS 106 8.660 12.132 -3.516 649 2HG LYS 106 1HG LYS 106 8.888 10.392 -3.339 650 1HD LYS 106 2HD LYS 106 8.329 11.056 -5.654 651 2HD LYS 106 1HD LYS 106 7.141 9.957 -4.952 652 1HE LYS 106 2HE LYS 106 5.544 11.424 -5.430 653 2HE LYS 106 1HE LYS 106 6.296 12.570 -4.320 654 1HZ LYS 106 1HZ LYS 106 6.388 12.466 -7.225 655 2HZ LYS 106 2HZ LYS 106 7.829 12.904 -6.455 656 3HZ LYS 106 3HZ LYS 106 6.421 13.800 -6.187 657 H VAL 107 H VAL 107 6.100 8.389 -1.323 658 HA VAL 107 HA VAL 107 8.325 6.626 -2.103 659 HB VAL 107 HB VAL 107 7.748 6.321 0.298 660 1HG1 VAL 107 1HG1 VAL 107 5.687 5.698 1.062 661 2HG1 VAL 107 2HG1 VAL 107 5.222 4.960 -0.471 662 3HG1 VAL 107 3HG1 VAL 107 5.214 6.714 -0.299 663 1HG2 VAL 107 1HG2 VAL 107 6.926 3.819 -1.091 664 2HG2 VAL 107 2HG2 VAL 107 8.072 4.051 0.230 665 3HG2 VAL 107 3HG2 VAL 107 8.522 4.494 -1.418 666 H THR 108 H THR 108 7.700 4.689 -3.224 667 HA THR 108 HA THR 108 5.096 4.908 -4.590 668 HB THR 108 HB THR 108 6.604 3.512 -6.369 669 HG1 THR 108 1HG THR 108 8.611 4.592 -6.498 670 1HG2 THR 108 1HG2 THR 108 5.299 5.373 -7.071 671 2HG2 THR 108 2HG2 THR 108 6.961 5.646 -7.593 672 3HG2 THR 108 3HG2 THR 108 6.327 6.499 -6.184 673 H LEU 109 H LEU 109 3.860 3.360 -3.705 674 HA LEU 109 HA LEU 109 5.082 0.781 -3.048 675 1HB LEU 109 2HB LEU 109 2.737 0.430 -1.980 676 2HB LEU 109 1HB LEU 109 3.923 1.440 -1.179 677 HG LEU 109 HG LEU 109 1.957 2.731 -3.010 678 1HD1 LEU 109 1HD1 LEU 109 1.336 1.966 -0.165 679 2HD1 LEU 109 2HD1 LEU 109 0.637 1.204 -1.592 680 3HD1 LEU 109 3HD1 LEU 109 0.316 2.906 -1.253 681 1HD2 LEU 109 1HD2 LEU 109 3.942 3.839 -1.781 682 2HD2 LEU 109 2HD2 LEU 109 2.923 3.702 -0.348 683 3HD2 LEU 109 3HD2 LEU 109 2.367 4.631 -1.740 684 H GLU 110 H GLU 110 4.880 -0.864 -4.380 685 HA GLU 110 HA GLU 110 2.888 -0.801 -6.505 686 1HB GLU 110 2HB GLU 110 5.389 -1.526 -6.713 687 2HB GLU 110 1HB GLU 110 4.825 -3.052 -6.047 688 1HG GLU 110 2HG GLU 110 3.025 -2.501 -8.074 689 2HG GLU 110 1HG GLU 110 4.582 -1.994 -8.727 690 H ILE 111 H ILE 111 0.918 -1.537 -6.030 691 HA ILE 111 HA ILE 111 0.695 -3.835 -4.203 692 HB ILE 111 HB ILE 111 -1.794 -2.752 -4.146 693 1HG1 ILE 111 2HG1 ILE 111 0.038 -0.376 -3.945 694 2HG1 ILE 111 1HG1 ILE 111 -0.755 -0.792 -5.466 695 1HG2 ILE 111 1HG2 ILE 111 -0.706 -1.567 -2.001 696 2HG2 ILE 111 2HG2 ILE 111 0.583 -2.694 -2.416 697 3HG2 ILE 111 3HG2 ILE 111 -1.042 -3.297 -2.092 698 1HD1 ILE 111 1HD1 ILE 111 -2.284 0.644 -4.640 699 2HD1 ILE 111 2HD1 ILE 111 -1.888 0.277 -2.961 700 3HD1 ILE 111 3HD1 ILE 111 -2.880 -0.839 -3.898 701 H GLU 112 H GLU 112 -1.271 -5.136 -4.465 702 HA GLU 112 HA GLU 112 -2.083 -5.376 -7.286 703 1HB GLU 112 2HB GLU 112 -0.486 -7.177 -6.251 704 2HB GLU 112 1HB GLU 112 -1.950 -7.755 -5.464 705 1HG GLU 112 2HG GLU 112 -2.782 -8.619 -7.356 706 2HG GLU 112 1HG GLU 112 -2.200 -7.282 -8.349 707 H PHE 113 H PHE 113 -4.216 -5.198 -7.588 708 HA PHE 113 HA PHE 113 -5.972 -5.597 -5.256 709 1HB PHE 113 2HB PHE 113 -7.475 -3.949 -6.216 710 2HB PHE 113 1HB PHE 113 -5.860 -3.261 -6.076 711 HD1 PHE 113 1HD PHE 113 -8.494 -4.306 -8.341 712 HD2 PHE 113 2HD PHE 113 -4.487 -2.905 -8.072 713 HE1 PHE 113 1HE PHE 113 -8.536 -3.744 -10.734 714 HE2 PHE 113 2HE PHE 113 -4.520 -2.335 -10.465 715 HZ PHE 113 HZ PHE 113 -6.546 -2.758 -11.800 716 H ASP 114 H ASP 114 -8.033 -6.520 -5.592 717 HA ASP 114 HA ASP 114 -8.329 -8.021 -8.106 718 1HB ASP 114 2HB ASP 114 -9.089 -9.083 -5.379 719 2HB ASP 114 1HB ASP 114 -9.090 -9.959 -6.906 720 H VAL 115 H VAL 115 -9.877 -6.766 -9.017 721 HA VAL 115 HA VAL 115 -12.054 -5.624 -7.608 722 HB VAL 115 HB VAL 115 -11.985 -6.192 -10.568 723 1HG1 VAL 115 1HG1 VAL 115 -14.054 -5.286 -9.237 724 2HG1 VAL 115 2HG1 VAL 115 -13.616 -4.594 -10.798 725 3HG1 VAL 115 3HG1 VAL 115 -13.167 -3.765 -9.308 726 1HG2 VAL 115 1HG2 VAL 115 -10.685 -3.960 -9.018 727 2HG2 VAL 115 2HG2 VAL 115 -10.992 -3.890 -10.753 728 3HG2 VAL 115 3HG2 VAL 115 -9.910 -5.118 -10.097 729 H ALA 116 H ALA 116 -13.923 -6.478 -6.987 730 HA ALA 116 HA ALA 116 -14.975 -8.834 -8.370 731 1HB ALA 116 1HB ALA 116 -14.056 -10.048 -6.673 732 2HB ALA 116 2HB ALA 116 -15.586 -9.612 -5.910 733 3HB ALA 116 3HB ALA 116 -14.122 -8.708 -5.528 734 H GLU 117 H GLU 117 -15.917 -6.307 -8.718 735 HA GLU 117 HA GLU 117 -18.642 -6.549 -8.173 736 1HB GLU 117 2HB GLU 117 -18.921 -4.655 -6.561 737 2HB GLU 117 1HB GLU 117 -18.166 -6.084 -5.868 738 1HG GLU 117 2HG GLU 117 -16.221 -4.217 -6.939 739 2HG GLU 117 1HG GLU 117 -17.244 -3.494 -5.699 740 H SER 118 H SER 118 -17.468 -6.030 -10.470 741 HA SER 118 HA SER 118 -17.472 -4.642 -12.272 742 1HB SER 118 2HB SER 118 -19.819 -4.201 -11.305 743 2HB SER 118 1HB SER 118 -19.140 -2.696 -10.688 744 HG SER 118 HG SER 118 -18.969 -3.465 -13.408 Start of MODEL 2 1 1H GLN 18 1HT GLN 18 -18.192 -12.264 -19.086 2 2H GLN 18 2HT GLN 18 -16.585 -11.871 -19.549 3 3H GLN 18 3HT GLN 18 -17.785 -10.645 -19.477 4 HA GLN 18 HA GLN 18 -18.007 -11.085 -17.100 5 1HB GLN 18 2HB GLN 18 -16.539 -13.343 -17.787 6 2HB GLN 18 1HB GLN 18 -15.380 -12.340 -16.927 7 1HG GLN 18 2HG GLN 18 -16.462 -12.540 -14.947 8 2HG GLN 18 1HG GLN 18 -18.050 -12.664 -15.700 9 1HE2 GLN 18 1HE2 GLN 18 -15.824 -14.308 -13.976 10 2HE2 GLN 18 2HE2 GLN 18 -16.235 -15.931 -14.423 11 H VAL 19 H VAL 19 -17.533 -9.098 -16.438 12 HA VAL 19 HA VAL 19 -15.059 -7.831 -17.368 13 HB VAL 19 HB VAL 19 -17.392 -6.511 -15.982 14 1HG1 VAL 19 1HG1 VAL 19 -16.415 -4.475 -16.486 15 2HG1 VAL 19 2HG1 VAL 19 -15.411 -5.156 -17.766 16 3HG1 VAL 19 3HG1 VAL 19 -15.016 -5.468 -16.076 17 1HG2 VAL 19 1HG2 VAL 19 -18.227 -7.436 -18.025 18 2HG2 VAL 19 2HG2 VAL 19 -16.827 -6.848 -18.924 19 3HG2 VAL 19 3HG2 VAL 19 -17.998 -5.705 -18.265 20 H VAL 20 H VAL 20 -13.796 -9.107 -15.830 21 HA VAL 20 HA VAL 20 -13.881 -7.931 -13.127 22 HB VAL 20 HB VAL 20 -12.959 -10.736 -13.758 23 1HG1 VAL 20 1HG1 VAL 20 -13.788 -9.951 -11.042 24 2HG1 VAL 20 2HG1 VAL 20 -12.303 -9.207 -11.636 25 3HG1 VAL 20 3HG1 VAL 20 -12.446 -10.964 -11.574 26 1HG2 VAL 20 1HG2 VAL 20 -15.443 -10.275 -14.119 27 2HG2 VAL 20 2HG2 VAL 20 -15.530 -10.019 -12.376 28 3HG2 VAL 20 3HG2 VAL 20 -15.021 -11.583 -13.013 29 H HIS 21 H HIS 21 -12.239 -6.521 -13.091 30 HA HIS 21 HA HIS 21 -9.744 -7.156 -14.462 31 1HB HIS 21 2HB HIS 21 -10.106 -4.630 -12.910 32 2HB HIS 21 1HB HIS 21 -9.238 -4.906 -14.415 33 HD1 HIS 21 1HD HIS 21 -11.662 -2.797 -13.604 34 HD2 HIS 21 2HD HIS 21 -11.761 -6.039 -16.202 35 HE1 HIS 21 1HE HIS 21 -13.566 -2.338 -15.181 36 HE2 HIS 21 2HE HIS 21 -13.554 -4.271 -16.795 37 H THR 22 H THR 22 -7.746 -6.253 -13.206 38 HA THR 22 HA THR 22 -7.394 -6.213 -10.512 39 HB THR 22 HB THR 22 -7.589 -9.031 -11.528 40 HG1 THR 22 1HG THR 22 -9.089 -7.727 -10.014 41 1HG2 THR 22 1HG2 THR 22 -5.559 -9.489 -10.682 42 2HG2 THR 22 2HG2 THR 22 -6.451 -9.495 -9.161 43 3HG2 THR 22 3HG2 THR 22 -5.546 -8.062 -9.645 44 H GLU 23 H GLU 23 -5.320 -5.614 -10.171 45 HA GLU 23 HA GLU 23 -3.093 -6.713 -11.503 46 1HB GLU 23 2HB GLU 23 -2.489 -4.735 -12.904 47 2HB GLU 23 1HB GLU 23 -3.894 -5.620 -13.481 48 1HG GLU 23 2HG GLU 23 -5.353 -3.938 -12.435 49 2HG GLU 23 1HG GLU 23 -3.920 -3.038 -11.939 50 H THR 24 H THR 24 -1.140 -5.084 -11.326 51 HA THR 24 HA THR 24 -1.152 -4.213 -8.558 52 HB THR 24 HB THR 24 1.337 -3.836 -9.050 53 HG1 THR 24 1HG THR 24 1.708 -3.902 -11.120 54 1HG2 THR 24 1HG2 THR 24 1.912 -6.183 -8.934 55 2HG2 THR 24 2HG2 THR 24 0.275 -6.627 -9.414 56 3HG2 THR 24 3HG2 THR 24 0.554 -5.825 -7.867 57 H THR 25 H THR 25 -1.263 -2.155 -7.912 58 HA THR 25 HA THR 25 -1.100 -0.063 -9.969 59 HB THR 25 HB THR 25 -3.252 -0.054 -8.934 60 HG1 THR 25 1HG THR 25 -2.599 2.013 -9.148 61 1HG2 THR 25 1HG2 THR 25 -1.752 -0.529 -6.452 62 2HG2 THR 25 2HG2 THR 25 -3.346 -1.096 -6.948 63 3HG2 THR 25 3HG2 THR 25 -3.145 0.545 -6.336 64 H GLU 26 H GLU 26 0.293 1.573 -9.793 65 HA GLU 26 HA GLU 26 2.253 1.475 -7.628 66 1HB GLU 26 2HB GLU 26 3.567 3.020 -9.056 67 2HB GLU 26 1HB GLU 26 3.180 1.514 -9.875 68 1HG GLU 26 2HG GLU 26 1.116 3.396 -10.416 69 2HG GLU 26 1HG GLU 26 2.675 4.160 -10.719 70 H VAL 27 H VAL 27 1.361 2.501 -5.922 71 HA VAL 27 HA VAL 27 0.084 5.094 -6.356 72 HB VAL 27 HB VAL 27 -0.153 4.479 -3.647 73 1HG1 VAL 27 1HG1 VAL 27 -2.348 3.626 -5.420 74 2HG1 VAL 27 2HG1 VAL 27 -1.765 5.275 -5.650 75 3HG1 VAL 27 3HG1 VAL 27 -2.353 4.759 -4.070 76 1HG2 VAL 27 1HG2 VAL 27 -1.059 2.224 -3.574 77 2HG2 VAL 27 2HG2 VAL 27 0.620 2.191 -4.106 78 3HG2 VAL 27 3HG2 VAL 27 -0.678 1.998 -5.280 79 H VAL 28 H VAL 28 1.566 6.665 -6.407 80 HA VAL 28 HA VAL 28 3.860 6.639 -4.646 81 HB VAL 28 HB VAL 28 2.999 8.918 -6.421 82 1HG1 VAL 28 1HG1 VAL 28 5.395 9.428 -6.443 83 2HG1 VAL 28 2HG1 VAL 28 5.695 8.053 -5.380 84 3HG1 VAL 28 3HG1 VAL 28 4.747 9.424 -4.803 85 1HG2 VAL 28 1HG2 VAL 28 4.999 7.501 -7.749 86 2HG2 VAL 28 2HG2 VAL 28 3.296 7.607 -8.197 87 3HG2 VAL 28 3HG2 VAL 28 3.862 6.271 -7.195 88 H LEU 29 H LEU 29 3.656 7.264 -2.580 89 HA LEU 29 HA LEU 29 1.677 9.346 -1.961 90 1HB LEU 29 2HB LEU 29 2.560 6.908 -0.554 91 2HB LEU 29 1HB LEU 29 2.291 8.311 0.461 92 HG LEU 29 HG LEU 29 0.278 6.988 -1.356 93 1HD1 LEU 29 1HD1 LEU 29 0.879 5.940 0.883 94 2HD1 LEU 29 2HD1 LEU 29 -0.824 6.289 0.592 95 3HD1 LEU 29 3HD1 LEU 29 0.132 7.356 1.619 96 1HD2 LEU 29 1HD2 LEU 29 0.208 9.579 0.146 97 2HD2 LEU 29 2HD2 LEU 29 -1.272 8.668 -0.158 98 3HD2 LEU 29 3HD2 LEU 29 -0.292 9.237 -1.511 99 H THR 30 H THR 30 2.255 11.168 -0.924 100 HA THR 30 HA THR 30 5.123 11.541 -0.411 101 HB THR 30 HB THR 30 2.991 13.574 -1.098 102 HG1 THR 30 1HG THR 30 3.771 12.242 -2.831 103 1HG2 THR 30 1HG2 THR 30 5.230 14.135 0.340 104 2HG2 THR 30 2HG2 THR 30 4.382 15.270 -0.710 105 3HG2 THR 30 3HG2 THR 30 5.784 14.388 -1.314 106 H ALA 31 H ALA 31 5.809 12.270 1.553 107 HA ALA 31 HA ALA 31 4.067 11.971 3.778 108 1HB ALA 31 1HB ALA 31 6.009 12.723 5.111 109 2HB ALA 31 2HB ALA 31 6.864 13.080 3.610 110 3HB ALA 31 3HB ALA 31 6.403 11.421 3.989 111 H ASP 32 H ASP 32 3.284 13.504 5.221 112 HA ASP 32 HA ASP 32 3.309 16.285 4.244 113 1HB ASP 32 2HB ASP 32 1.081 14.542 5.139 114 2HB ASP 32 1HB ASP 32 1.024 16.220 5.670 115 HA PRO 33 HA PRO 33 4.968 17.241 8.245 116 1HB PRO 33 2HB PRO 33 4.704 19.919 8.195 117 2HB PRO 33 1HB PRO 33 5.877 19.075 7.178 118 1HG PRO 33 2HG PRO 33 3.175 20.145 6.461 119 2HG PRO 33 1HG PRO 33 4.692 20.239 5.549 120 1HD PRO 33 2HD PRO 33 2.728 18.418 5.025 121 2HD PRO 33 1HD PRO 33 4.446 18.129 4.688 122 H VAL 34 H VAL 34 2.563 16.147 8.661 123 HA VAL 34 HA VAL 34 1.481 17.771 10.793 124 HB VAL 34 HB VAL 34 -0.377 16.823 8.606 125 1HG1 VAL 34 1HG1 VAL 34 -1.685 16.818 10.492 126 2HG1 VAL 34 2HG1 VAL 34 -1.883 18.490 9.961 127 3HG1 VAL 34 3HG1 VAL 34 -0.762 18.106 11.269 128 1HG2 VAL 34 1HG2 VAL 34 0.645 19.588 9.235 129 2HG2 VAL 34 2HG2 VAL 34 -0.724 19.253 8.175 130 3HG2 VAL 34 3HG2 VAL 34 0.884 18.671 7.746 131 H THR 35 H THR 35 0.311 14.994 8.883 132 HA THR 35 HA THR 35 0.341 13.405 11.364 133 HB THR 35 HB THR 35 -1.921 13.660 10.700 134 HG1 THR 35 1HG THR 35 -1.112 11.186 9.587 135 1HG2 THR 35 1HG2 THR 35 -2.490 12.686 8.306 136 2HG2 THR 35 2HG2 THR 35 -0.885 13.328 7.951 137 3HG2 THR 35 3HG2 THR 35 -2.145 14.394 8.573 138 H GLY 36 H GLY 36 1.216 13.523 7.985 139 1HA GLY 36 2HA GLY 36 3.198 12.316 7.289 140 2HA GLY 36 1HA GLY 36 2.719 11.015 8.368 141 H PHE 37 H PHE 37 1.713 9.327 7.497 142 HA PHE 37 HA PHE 37 0.561 9.656 4.804 143 1HB PHE 37 2HB PHE 37 2.000 7.327 6.066 144 2HB PHE 37 1HB PHE 37 1.021 7.148 4.613 145 HD1 PHE 37 1HD PHE 37 1.579 8.968 2.742 146 HD2 PHE 37 2HD PHE 37 4.249 7.657 5.785 147 HE1 PHE 37 1HE PHE 37 3.490 9.675 1.363 148 HE2 PHE 37 2HE PHE 37 6.166 8.362 4.411 149 HZ PHE 37 HZ PHE 37 5.787 9.374 2.196 150 H GLY 38 H GLY 38 0.116 8.296 8.004 151 1HA GLY 38 2HA GLY 38 -1.773 7.566 9.087 152 2HA GLY 38 1HA GLY 38 -2.696 8.394 7.843 153 H ILE 39 H ILE 39 -0.417 5.817 7.168 154 HA ILE 39 HA ILE 39 -2.614 3.917 6.805 155 HB ILE 39 HB ILE 39 -2.324 4.968 4.618 156 1HG1 ILE 39 2HG1 ILE 39 -1.101 2.497 3.811 157 2HG1 ILE 39 1HG1 ILE 39 -2.166 2.194 5.184 158 1HG2 ILE 39 1HG2 ILE 39 0.485 4.667 5.265 159 2HG2 ILE 39 2HG2 ILE 39 -0.300 5.723 4.092 160 3HG2 ILE 39 3HG2 ILE 39 0.103 4.063 3.653 161 1HD1 ILE 39 1HD1 ILE 39 -3.478 3.917 3.320 162 2HD1 ILE 39 2HD1 ILE 39 -3.939 2.308 3.875 163 3HD1 ILE 39 3HD1 ILE 39 -2.864 2.488 2.488 164 H GLN 40 H GLN 40 -2.060 1.800 7.132 165 HA GLN 40 HA GLN 40 0.767 1.130 7.470 166 1HB GLN 40 2HB GLN 40 -1.347 0.581 9.560 167 2HB GLN 40 1HB GLN 40 0.316 0.012 9.615 168 1HG GLN 40 2HG GLN 40 0.740 1.837 10.805 169 2HG GLN 40 1HG GLN 40 0.612 2.718 9.284 170 1HE2 GLN 40 1HE2 GLN 40 -1.670 1.276 11.595 171 2HE2 GLN 40 2HE2 GLN 40 -2.667 2.686 11.748 172 H LEU 41 H LEU 41 1.170 -1.187 7.550 173 HA LEU 41 HA LEU 41 -0.993 -2.781 6.353 174 1HB LEU 41 2HB LEU 41 1.416 -3.854 5.404 175 2HB LEU 41 1HB LEU 41 0.192 -3.005 4.483 176 HG LEU 41 HG LEU 41 1.432 -0.857 5.172 177 1HD1 LEU 41 1HD1 LEU 41 2.998 -1.288 6.737 178 2HD1 LEU 41 2HD1 LEU 41 3.994 -1.646 5.326 179 3HD1 LEU 41 3HD1 LEU 41 3.219 -2.957 6.214 180 1HD2 LEU 41 1HD2 LEU 41 1.634 -1.243 2.942 181 2HD2 LEU 41 2HD2 LEU 41 2.206 -2.896 3.166 182 3HD2 LEU 41 3HD2 LEU 41 3.308 -1.541 3.411 183 H GLN 42 H GLN 42 -1.471 -4.510 7.516 184 HA GLN 42 HA GLN 42 0.128 -5.306 9.745 185 1HB GLN 42 2HB GLN 42 -2.433 -6.257 8.520 186 2HB GLN 42 1HB GLN 42 -1.617 -7.265 9.708 187 1HG GLN 42 2HG GLN 42 -2.692 -6.114 11.264 188 2HG GLN 42 1HG GLN 42 -1.644 -4.754 10.867 189 1HE2 GLN 42 1HE2 GLN 42 -4.705 -6.295 10.032 190 2HE2 GLN 42 2HE2 GLN 42 -5.514 -4.838 9.554 191 H GLY 43 H GLY 43 0.574 -7.738 10.060 192 1HA GLY 43 2HA GLY 43 1.628 -8.888 7.555 193 2HA GLY 43 1HA GLY 43 2.633 -8.787 8.991 194 H SER 44 H SER 44 -0.399 -10.161 7.766 195 HA SER 44 HA SER 44 0.169 -12.723 8.797 196 1HB SER 44 2HB SER 44 -1.771 -12.778 10.451 197 2HB SER 44 1HB SER 44 -0.329 -11.907 10.972 198 HG SER 44 HG SER 44 -1.381 -10.056 10.855 199 H VAL 45 H VAL 45 -1.857 -14.161 8.706 200 HA VAL 45 HA VAL 45 -3.584 -13.257 6.510 201 HB VAL 45 HB VAL 45 -2.351 -15.983 6.886 202 1HG1 VAL 45 1HG1 VAL 45 -4.622 -16.310 6.156 203 2HG1 VAL 45 2HG1 VAL 45 -3.540 -16.593 4.791 204 3HG1 VAL 45 3HG1 VAL 45 -4.440 -15.080 4.904 205 1HG2 VAL 45 1HG2 VAL 45 -2.026 -14.839 4.284 206 2HG2 VAL 45 2HG2 VAL 45 -0.797 -15.313 5.456 207 3HG2 VAL 45 3HG2 VAL 45 -1.484 -13.691 5.508 208 H PHE 46 H PHE 46 -3.273 -15.374 9.277 209 HA PHE 46 HA PHE 46 -5.742 -14.865 10.391 210 1HB PHE 46 2HB PHE 46 -5.886 -16.736 8.151 211 2HB PHE 46 1HB PHE 46 -6.539 -17.415 9.638 212 HD1 PHE 46 1HD PHE 46 -7.926 -15.400 10.979 213 HD2 PHE 46 2HD PHE 46 -7.516 -15.919 6.776 214 HE1 PHE 46 1HE PHE 46 -10.024 -14.163 10.626 215 HE2 PHE 46 2HE PHE 46 -9.612 -14.682 6.415 216 HZ PHE 46 HZ PHE 46 -10.869 -13.803 8.341 217 H ALA 47 H ALA 47 -3.205 -15.282 11.354 218 HA ALA 47 HA ALA 47 -3.659 -17.081 13.471 219 1HB ALA 47 1HB ALA 47 -1.396 -18.182 11.936 220 2HB ALA 47 2HB ALA 47 -3.002 -18.501 11.282 221 3HB ALA 47 3HB ALA 47 -2.605 -18.999 12.927 222 H THR 48 H THR 48 -2.708 -15.982 15.046 223 HA THR 48 HA THR 48 -0.728 -14.067 14.727 224 HB THR 48 HB THR 48 -0.584 -13.989 17.122 225 HG1 THR 48 1HG THR 48 -1.737 -16.572 17.023 226 1HG2 THR 48 1HG2 THR 48 -3.229 -14.644 17.548 227 2HG2 THR 48 2HG2 THR 48 -3.168 -14.192 15.845 228 3HG2 THR 48 3HG2 THR 48 -2.598 -13.067 17.077 229 H GLU 49 H GLU 49 -0.481 -17.464 14.916 230 HA GLU 49 HA GLU 49 2.352 -17.410 15.599 231 1HB GLU 49 2HB GLU 49 0.517 -19.744 15.024 232 2HB GLU 49 1HB GLU 49 2.183 -19.868 15.572 233 1HG GLU 49 2HG GLU 49 0.225 -18.314 17.191 234 2HG GLU 49 1HG GLU 49 0.208 -20.076 17.258 235 H THR 50 H THR 50 3.979 -17.760 14.190 236 HA THR 50 HA THR 50 5.044 -17.679 12.174 237 HB THR 50 HB THR 50 4.576 -20.102 12.477 238 HG1 THR 50 1HG THR 50 5.696 -20.190 10.727 239 1HG2 THR 50 1HG2 THR 50 2.897 -21.088 10.861 240 2HG2 THR 50 2HG2 THR 50 2.173 -19.479 10.798 241 3HG2 THR 50 3HG2 THR 50 2.253 -20.352 12.328 242 H LEU 51 H LEU 51 4.385 -18.089 9.588 243 HA LEU 51 HA LEU 51 1.979 -16.964 8.686 244 1HB LEU 51 2HB LEU 51 2.915 -14.952 9.824 245 2HB LEU 51 1HB LEU 51 4.286 -15.015 8.733 246 HG LEU 51 HG LEU 51 2.910 -14.493 6.843 247 1HD1 LEU 51 1HD1 LEU 51 0.494 -14.147 7.041 248 2HD1 LEU 51 2HD1 LEU 51 0.558 -14.688 8.719 249 3HD1 LEU 51 3HD1 LEU 51 0.949 -15.809 7.415 250 1HD2 LEU 51 1HD2 LEU 51 2.498 -12.787 9.267 251 2HD2 LEU 51 2HD2 LEU 51 1.797 -12.337 7.714 252 3HD2 LEU 51 3HD2 LEU 51 3.544 -12.512 7.874 253 H SER 52 H SER 52 1.788 -17.363 6.538 254 HA SER 52 HA SER 52 4.261 -18.012 5.091 255 1HB SER 52 2HB SER 52 1.682 -19.426 5.305 256 2HB SER 52 1HB SER 52 2.379 -19.362 3.686 257 HG SER 52 HG SER 52 3.726 -20.267 6.017 258 H SER 53 H SER 53 2.427 -15.543 5.302 259 HA SER 53 HA SER 53 2.475 -14.995 2.425 260 1HB SER 53 2HB SER 53 0.228 -13.935 4.104 261 2HB SER 53 1HB SER 53 0.308 -14.132 2.354 262 HG SER 53 HG SER 53 -0.083 -16.257 2.555 263 HA PRO 54 HA PRO 54 4.681 -11.358 3.678 264 1HB PRO 54 2HB PRO 54 3.489 -10.055 1.306 265 2HB PRO 54 1HB PRO 54 5.188 -10.312 1.711 266 1HG PRO 54 2HG PRO 54 3.987 -11.723 -0.220 267 2HG PRO 54 1HG PRO 54 5.213 -12.449 0.835 268 1HD PRO 54 2HD PRO 54 2.238 -12.726 0.916 269 2HD PRO 54 1HD PRO 54 3.494 -13.947 1.205 270 HA PRO 55 HA PRO 55 1.945 -8.490 5.618 271 1HB PRO 55 2HB PRO 55 2.948 -6.028 4.972 272 2HB PRO 55 1HB PRO 55 3.678 -7.101 6.173 273 1HG PRO 55 2HG PRO 55 4.443 -6.657 3.316 274 2HG PRO 55 1HG PRO 55 5.485 -6.830 4.740 275 1HD PRO 55 2HD PRO 55 5.079 -8.857 3.010 276 2HD PRO 55 1HD PRO 55 5.305 -9.134 4.750 277 H LEU 56 H LEU 56 0.377 -6.720 5.278 278 HA LEU 56 HA LEU 56 -0.245 -6.021 2.539 279 1HB LEU 56 2HB LEU 56 -2.698 -6.806 3.039 280 2HB LEU 56 1HB LEU 56 -1.514 -7.911 2.371 281 HG LEU 56 HG LEU 56 -2.962 -8.848 4.198 282 1HD1 LEU 56 1HD1 LEU 56 -1.343 -10.310 4.729 283 2HD1 LEU 56 2HD1 LEU 56 -0.241 -9.051 5.287 284 3HD1 LEU 56 3HD1 LEU 56 -0.392 -9.391 3.563 285 1HD2 LEU 56 1HD2 LEU 56 -1.239 -7.399 6.156 286 2HD2 LEU 56 2HD2 LEU 56 -2.812 -8.160 6.388 287 3HD2 LEU 56 3HD2 LEU 56 -2.695 -6.622 5.533 288 H ILE 57 H ILE 57 -1.714 -4.294 2.341 289 HA ILE 57 HA ILE 57 -1.703 -2.497 4.566 290 HB ILE 57 HB ILE 57 -3.075 -2.261 1.884 291 1HG1 ILE 57 2HG1 ILE 57 -0.527 -0.938 2.822 292 2HG1 ILE 57 1HG1 ILE 57 -0.550 -2.450 1.918 293 1HG2 ILE 57 1HG2 ILE 57 -4.202 -0.663 3.056 294 2HG2 ILE 57 2HG2 ILE 57 -2.772 0.271 2.617 295 3HG2 ILE 57 3HG2 ILE 57 -2.901 -0.443 4.225 296 1HD1 ILE 57 1HD1 ILE 57 -0.149 -0.769 0.339 297 2HD1 ILE 57 2HD1 ILE 57 -1.401 0.276 1.010 298 3HD1 ILE 57 3HD1 ILE 57 -1.850 -1.194 0.143 299 H SER 58 H SER 58 -3.476 -1.672 5.714 300 HA SER 58 HA SER 58 -6.150 -2.421 5.283 301 1HB SER 58 2HB SER 58 -4.797 -4.569 6.226 302 2HB SER 58 1HB SER 58 -5.288 -3.820 7.744 303 HG SER 58 HG SER 58 -6.899 -4.794 5.645 304 H TYR 59 H TYR 59 -5.099 -0.007 5.782 305 HA TYR 59 HA TYR 59 -6.575 0.891 8.006 306 1HB TYR 59 2HB TYR 59 -4.697 -0.101 9.266 307 2HB TYR 59 1HB TYR 59 -3.577 0.942 8.394 308 HD1 TYR 59 1HD TYR 59 -6.047 0.753 11.060 309 HD2 TYR 59 2HD TYR 59 -3.555 3.368 8.814 310 HE1 TYR 59 1HE TYR 59 -6.372 2.506 12.753 311 HE2 TYR 59 2HE TYR 59 -3.871 5.128 10.503 312 HH TYR 59 HH TYR 59 -5.309 4.514 13.553 313 H ILE 60 H ILE 60 -7.047 2.981 7.779 314 HA ILE 60 HA ILE 60 -5.253 4.795 6.400 315 HB ILE 60 HB ILE 60 -8.013 4.897 5.325 316 1HG1 ILE 60 2HG1 ILE 60 -6.023 2.765 4.510 317 2HG1 ILE 60 1HG1 ILE 60 -7.642 2.509 5.152 318 1HG2 ILE 60 1HG2 ILE 60 -6.133 6.470 4.774 319 2HG2 ILE 60 2HG2 ILE 60 -6.919 5.723 3.384 320 3HG2 ILE 60 3HG2 ILE 60 -5.353 5.129 3.935 321 1HD1 ILE 60 1HD1 ILE 60 -6.837 2.724 2.464 322 2HD1 ILE 60 2HD1 ILE 60 -7.823 4.141 2.825 323 3HD1 ILE 60 3HD1 ILE 60 -8.468 2.523 3.103 324 H GLU 61 H GLU 61 -5.804 7.023 6.730 325 HA GLU 61 HA GLU 61 -7.532 7.377 9.075 326 1HB GLU 61 2HB GLU 61 -4.986 8.462 8.260 327 2HB GLU 61 1HB GLU 61 -6.129 9.760 8.583 328 1HG GLU 61 2HG GLU 61 -6.060 9.425 10.783 329 2HG GLU 61 1HG GLU 61 -6.175 7.673 10.610 330 H ALA 62 H ALA 62 -8.902 9.213 9.243 331 HA ALA 62 HA ALA 62 -10.192 9.841 6.714 332 1HB ALA 62 1HB ALA 62 -11.811 11.025 8.405 333 2HB ALA 62 2HB ALA 62 -10.969 10.020 9.586 334 3HB ALA 62 3HB ALA 62 -11.817 9.269 8.234 335 H ASP 63 H ASP 63 -7.694 10.987 6.996 336 HA ASP 63 HA ASP 63 -8.052 13.585 6.216 337 1HB ASP 63 2HB ASP 63 -8.418 13.393 9.012 338 2HB ASP 63 1HB ASP 63 -6.846 14.148 8.772 339 H SER 64 H SER 64 -6.418 11.251 5.758 340 HA SER 64 HA SER 64 -3.759 12.485 6.026 341 1HB SER 64 2HB SER 64 -4.597 9.641 6.508 342 2HB SER 64 1HB SER 64 -2.950 10.004 5.989 343 HG SER 64 HG SER 64 -3.733 10.012 8.405 344 HA PRO 65 HA PRO 65 -3.324 12.472 1.638 345 1HB PRO 65 2HB PRO 65 -0.713 11.139 2.232 346 2HB PRO 65 1HB PRO 65 -1.059 12.508 1.169 347 1HG PRO 65 2HG PRO 65 0.006 12.900 3.576 348 2HG PRO 65 1HG PRO 65 -1.220 14.008 2.932 349 1HD PRO 65 2HD PRO 65 -1.463 11.942 5.053 350 2HD PRO 65 1HD PRO 65 -2.339 13.472 4.860 351 H ALA 66 H ALA 66 -2.535 9.536 3.439 352 HA ALA 66 HA ALA 66 -2.451 7.722 1.321 353 1HB ALA 66 1HB ALA 66 -1.703 6.987 3.437 354 2HB ALA 66 2HB ALA 66 -3.139 6.031 3.073 355 3HB ALA 66 3HB ALA 66 -3.241 7.381 4.202 356 H GLU 67 H GLU 67 -5.209 8.619 3.387 357 HA GLU 67 HA GLU 67 -7.094 7.061 1.939 358 1HB GLU 67 2HB GLU 67 -7.702 7.533 4.153 359 2HB GLU 67 1HB GLU 67 -7.291 9.232 4.004 360 1HG GLU 67 2HG GLU 67 -9.717 8.792 4.155 361 2HG GLU 67 1HG GLU 67 -9.240 9.660 2.696 362 H ARG 68 H ARG 68 -6.200 10.486 1.893 363 HA ARG 68 HA ARG 68 -8.159 11.285 0.016 364 1HB ARG 68 2HB ARG 68 -5.550 12.501 0.902 365 2HB ARG 68 1HB ARG 68 -6.572 13.264 -0.310 366 1HG ARG 68 2HG ARG 68 -7.457 14.312 1.461 367 2HG ARG 68 1HG ARG 68 -8.381 12.821 1.643 368 1HD ARG 68 2HD ARG 68 -5.724 12.777 2.884 369 2HD ARG 68 1HD ARG 68 -6.837 13.950 3.582 370 HE ARG 68 HE ARG 68 -6.902 11.157 3.967 371 1HH1 ARG 68 1HH1 ARG 68 -9.046 13.856 3.391 372 2HH1 ARG 68 2HH1 ARG 68 -10.382 13.130 4.218 373 1HH2 ARG 68 1HH2 ARG 68 -8.660 10.213 5.065 374 2HH2 ARG 68 2HH2 ARG 68 -10.165 11.064 5.164 375 H CYS 69 H CYS 69 -5.321 9.457 -0.358 376 HA CYS 69 HA CYS 69 -4.359 10.241 -2.842 377 1HB CYS 69 2HB CYS 69 -3.700 8.291 -1.080 378 2HB CYS 69 1HB CYS 69 -4.447 7.328 -2.349 379 HG CYS 69 HG CYS 69 -2.474 7.662 -3.769 380 H GLY 70 H GLY 70 -7.250 8.496 -2.006 381 1HA GLY 70 2HA GLY 70 -9.004 7.731 -3.273 382 2HA GLY 70 1HA GLY 70 -8.481 8.896 -4.482 383 H VAL 71 H VAL 71 -6.469 6.271 -3.345 384 HA VAL 71 HA VAL 71 -6.952 4.791 -5.834 385 HB VAL 71 HB VAL 71 -4.164 5.277 -4.799 386 1HG1 VAL 71 1HG1 VAL 71 -3.450 4.393 -6.897 387 2HG1 VAL 71 2HG1 VAL 71 -5.101 4.375 -7.515 388 3HG1 VAL 71 3HG1 VAL 71 -4.633 3.275 -6.219 389 1HG2 VAL 71 1HG2 VAL 71 -4.272 6.693 -7.111 390 2HG2 VAL 71 2HG2 VAL 71 -4.438 7.395 -5.503 391 3HG2 VAL 71 3HG2 VAL 71 -5.876 7.006 -6.446 392 H LEU 72 H LEU 72 -4.940 4.687 -2.887 393 HA LEU 72 HA LEU 72 -5.047 1.830 -2.754 394 1HB LEU 72 2HB LEU 72 -3.974 2.210 -0.493 395 2HB LEU 72 1HB LEU 72 -3.091 2.799 -1.890 396 HG LEU 72 HG LEU 72 -4.744 4.921 -0.943 397 1HD1 LEU 72 1HD1 LEU 72 -2.894 4.055 1.232 398 2HD1 LEU 72 2HD1 LEU 72 -4.538 3.417 1.173 399 3HD1 LEU 72 3HD1 LEU 72 -4.270 5.156 1.295 400 1HD2 LEU 72 1HD2 LEU 72 -2.351 4.701 -2.092 401 2HD2 LEU 72 2HD2 LEU 72 -1.830 4.894 -0.417 402 3HD2 LEU 72 3HD2 LEU 72 -2.836 6.128 -1.175 403 H GLN 73 H GLN 73 -5.762 0.711 -0.728 404 HA GLN 73 HA GLN 73 -7.814 1.892 0.868 405 1HB GLN 73 2HB GLN 73 -9.687 0.551 0.092 406 2HB GLN 73 1HB GLN 73 -9.071 1.539 -1.224 407 1HG GLN 73 2HG GLN 73 -9.046 -0.315 -2.437 408 2HG GLN 73 1HG GLN 73 -7.657 -0.815 -1.471 409 1HE2 GLN 73 1HE2 GLN 73 -8.034 -2.966 -1.424 410 2HE2 GLN 73 2HE2 GLN 73 -9.417 -3.694 -0.678 411 H ILE 74 H ILE 74 -8.904 0.163 2.252 412 HA ILE 74 HA ILE 74 -6.886 -1.411 3.464 413 HB ILE 74 HB ILE 74 -9.875 -1.550 3.881 414 1HG1 ILE 74 2HG1 ILE 74 -7.720 0.121 5.182 415 2HG1 ILE 74 1HG1 ILE 74 -9.138 0.691 4.310 416 1HG2 ILE 74 1HG2 ILE 74 -9.533 -3.099 5.444 417 2HG2 ILE 74 2HG2 ILE 74 -8.217 -2.174 6.168 418 3HG2 ILE 74 3HG2 ILE 74 -7.893 -3.262 4.817 419 1HD1 ILE 74 1HD1 ILE 74 -10.096 0.920 6.296 420 2HD1 ILE 74 2HD1 ILE 74 -8.828 -0.008 7.097 421 3HD1 ILE 74 3HD1 ILE 74 -10.193 -0.840 6.349 422 H GLY 75 H GLY 75 -6.091 -3.240 2.682 423 1HA GLY 75 2HA GLY 75 -6.598 -5.626 2.360 424 2HA GLY 75 1HA GLY 75 -7.953 -5.118 1.364 425 H ASP 76 H ASP 76 -4.973 -3.385 1.074 426 HA ASP 76 HA ASP 76 -4.720 -4.260 -1.671 427 1HB ASP 76 2HB ASP 76 -3.665 -2.055 -0.019 428 2HB ASP 76 1HB ASP 76 -2.560 -2.650 -1.254 429 H ARG 77 H ARG 77 -3.063 -5.456 -2.546 430 HA ARG 77 HA ARG 77 -1.456 -6.950 -0.605 431 1HB ARG 77 2HB ARG 77 -2.961 -7.875 -2.641 432 2HB ARG 77 1HB ARG 77 -1.417 -7.711 -3.465 433 1HG ARG 77 2HG ARG 77 -0.937 -9.731 -2.682 434 2HG ARG 77 1HG ARG 77 -0.740 -8.961 -1.107 435 1HD ARG 77 2HD ARG 77 -2.679 -9.799 -0.310 436 2HD ARG 77 1HD ARG 77 -3.508 -9.629 -1.857 437 HE ARG 77 HE ARG 77 -1.778 -11.668 -2.290 438 1HH1 ARG 77 1HH1 ARG 77 -4.196 -11.050 0.150 439 2HH1 ARG 77 2HH1 ARG 77 -4.547 -12.726 0.403 440 1HH2 ARG 77 1HH2 ARG 77 -2.240 -13.872 -1.958 441 2HH2 ARG 77 2HH2 ARG 77 -3.436 -14.330 -0.793 442 H VAL 78 H VAL 78 0.193 -5.465 -0.199 443 HA VAL 78 HA VAL 78 1.713 -4.268 -2.316 444 HB VAL 78 HB VAL 78 2.669 -4.575 0.524 445 1HG1 VAL 78 1HG1 VAL 78 3.191 -2.615 -1.695 446 2HG1 VAL 78 2HG1 VAL 78 4.336 -3.683 -0.885 447 3HG1 VAL 78 3HG1 VAL 78 3.649 -2.309 -0.021 448 1HG2 VAL 78 1HG2 VAL 78 1.226 -3.061 1.342 449 2HG2 VAL 78 2HG2 VAL 78 0.221 -3.512 -0.034 450 3HG2 VAL 78 3HG2 VAL 78 1.257 -2.089 -0.130 451 H MET 79 H MET 79 3.795 -4.812 -3.029 452 HA MET 79 HA MET 79 5.298 -6.951 -1.931 453 1HB MET 79 2HB MET 79 3.209 -7.924 -3.317 454 2HB MET 79 1HB MET 79 4.370 -7.752 -4.626 455 1HG MET 79 2HG MET 79 5.894 -8.962 -2.744 456 2HG MET 79 1HG MET 79 4.309 -9.644 -2.388 457 1HE MET 79 1HE MET 79 7.161 -9.133 -4.618 458 2HE MET 79 2HE MET 79 7.003 -10.268 -5.958 459 3HE MET 79 3HE MET 79 7.412 -10.858 -4.347 460 H ALA 80 H ALA 80 5.634 -4.206 -2.988 461 HA ALA 80 HA ALA 80 8.142 -4.550 -4.205 462 1HB ALA 80 1HB ALA 80 7.238 -3.321 -6.419 463 2HB ALA 80 2HB ALA 80 5.847 -4.337 -6.041 464 3HB ALA 80 3HB ALA 80 7.433 -5.069 -6.281 465 H ILE 81 H ILE 81 7.326 -3.044 -2.090 466 HA ILE 81 HA ILE 81 6.745 -0.342 -2.733 467 HB ILE 81 HB ILE 81 8.123 -1.357 -0.247 468 1HG1 ILE 81 2HG1 ILE 81 5.175 -0.850 -0.447 469 2HG1 ILE 81 1HG1 ILE 81 5.834 -2.398 -0.976 470 1HG2 ILE 81 1HG2 ILE 81 6.462 0.766 0.395 471 2HG2 ILE 81 2HG2 ILE 81 7.212 1.247 -1.127 472 3HG2 ILE 81 3HG2 ILE 81 8.218 0.809 0.253 473 1HD1 ILE 81 1HD1 ILE 81 6.969 -2.382 1.371 474 2HD1 ILE 81 2HD1 ILE 81 5.277 -2.850 1.197 475 3HD1 ILE 81 3HD1 ILE 81 5.691 -1.230 1.757 476 H ASN 82 H ASN 82 8.038 0.946 -3.856 477 HA ASN 82 HA ASN 82 9.919 1.825 -4.816 478 1HB ASN 82 2HB ASN 82 11.455 2.822 -3.224 479 2HB ASN 82 1HB ASN 82 9.807 2.967 -2.621 480 1HD2 ASN 82 1HD2 ASN 82 12.928 1.630 -2.121 481 2HD2 ASN 82 2HD2 ASN 82 12.615 0.914 -0.572 482 H GLY 83 H GLY 83 9.872 -1.028 -4.925 483 1HA GLY 83 2HA GLY 83 11.580 -2.306 -6.044 484 2HA GLY 83 1HA GLY 83 12.775 -1.517 -5.026 485 H ILE 84 H ILE 84 11.803 -1.833 -2.519 486 HA ILE 84 HA ILE 84 12.418 -4.550 -1.975 487 HB ILE 84 HB ILE 84 11.196 -2.572 -0.061 488 1HG1 ILE 84 2HG1 ILE 84 13.198 -1.661 -1.284 489 2HG1 ILE 84 1HG1 ILE 84 13.395 -1.779 0.460 490 1HG2 ILE 84 1HG2 ILE 84 11.801 -5.234 0.270 491 2HG2 ILE 84 2HG2 ILE 84 11.611 -4.046 1.560 492 3HG2 ILE 84 3HG2 ILE 84 13.216 -4.416 0.933 493 1HD1 ILE 84 1HD1 ILE 84 14.960 -2.940 -1.636 494 2HD1 ILE 84 2HD1 ILE 84 14.332 -4.202 -0.573 495 3HD1 ILE 84 3HD1 ILE 84 15.281 -2.873 0.097 496 HA PRO 85 HA PRO 85 8.148 -5.919 -2.301 497 1HB PRO 85 2HB PRO 85 8.623 -8.537 -2.421 498 2HB PRO 85 1HB PRO 85 9.059 -7.473 -3.763 499 1HG PRO 85 2HG PRO 85 10.797 -8.669 -1.650 500 2HG PRO 85 1HG PRO 85 11.131 -8.427 -3.373 501 1HD PRO 85 2HD PRO 85 11.990 -6.764 -1.309 502 2HD PRO 85 1HD PRO 85 11.913 -6.319 -3.024 503 H THR 86 H THR 86 9.772 -5.581 0.371 504 HA THR 86 HA THR 86 9.448 -6.003 2.579 505 HB THR 86 HB THR 86 7.240 -6.226 3.339 506 HG1 THR 86 1HG THR 86 6.473 -7.361 0.863 507 1HG2 THR 86 1HG2 THR 86 7.260 -4.188 2.178 508 2HG2 THR 86 2HG2 THR 86 5.774 -5.004 1.689 509 3HG2 THR 86 3HG2 THR 86 7.168 -4.989 0.609 510 H GLU 87 H GLU 87 10.736 -7.564 3.311 511 HA GLU 87 HA GLU 87 10.820 -10.207 2.426 512 1HB GLU 87 2HB GLU 87 11.915 -8.703 4.726 513 2HB GLU 87 1HB GLU 87 11.820 -10.447 4.929 514 1HG GLU 87 2HG GLU 87 13.525 -10.815 3.544 515 2HG GLU 87 1HG GLU 87 12.938 -9.647 2.361 516 H ASP 88 H ASP 88 9.579 -11.925 2.788 517 HA ASP 88 HA ASP 88 7.196 -11.754 4.293 518 1HB ASP 88 2HB ASP 88 8.592 -14.232 3.259 519 2HB ASP 88 1HB ASP 88 6.906 -14.121 3.755 520 H SER 89 H SER 89 8.083 -11.054 6.359 521 HA SER 89 HA SER 89 8.529 -13.325 8.104 522 1HB SER 89 2HB SER 89 10.647 -11.392 7.407 523 2HB SER 89 1HB SER 89 10.449 -11.689 9.134 524 HG SER 89 HG SER 89 10.645 -13.786 7.248 525 H THR 90 H THR 90 8.466 -9.770 7.931 526 HA THR 90 HA THR 90 6.374 -9.699 9.925 527 HB THR 90 HB THR 90 7.917 -7.841 11.102 528 HG1 THR 90 1HG THR 90 9.744 -9.846 10.279 529 1HG2 THR 90 1HG2 THR 90 8.719 -10.447 12.089 530 2HG2 THR 90 2HG2 THR 90 6.979 -10.313 11.835 531 3HG2 THR 90 3HG2 THR 90 7.808 -9.162 12.880 532 H PHE 91 H PHE 91 5.062 -7.978 9.679 533 HA PHE 91 HA PHE 91 5.219 -6.411 7.356 534 1HB PHE 91 2HB PHE 91 3.303 -5.191 8.251 535 2HB PHE 91 1HB PHE 91 3.100 -6.922 8.494 536 HD1 PHE 91 1HD PHE 91 3.513 -3.690 10.091 537 HD2 PHE 91 2HD PHE 91 3.311 -7.891 10.735 538 HE1 PHE 91 1HE PHE 91 3.130 -3.299 12.490 539 HE2 PHE 91 2HE PHE 91 2.926 -7.509 13.135 540 HZ PHE 91 HZ PHE 91 2.836 -5.211 14.015 541 H GLU 92 H GLU 92 6.590 -5.976 10.488 542 HA GLU 92 HA GLU 92 6.807 -3.227 10.697 543 1HB GLU 92 2HB GLU 92 7.807 -5.411 12.071 544 2HB GLU 92 1HB GLU 92 9.259 -4.610 11.487 545 1HG GLU 92 2HG GLU 92 8.410 -2.494 12.487 546 2HG GLU 92 1HG GLU 92 7.086 -3.420 13.193 547 H GLU 93 H GLU 93 8.563 -5.437 8.637 548 HA GLU 93 HA GLU 93 10.697 -3.736 7.932 549 1HB GLU 93 2HB GLU 93 9.384 -5.941 6.329 550 2HB GLU 93 1HB GLU 93 10.930 -5.197 5.945 551 1HG GLU 93 2HG GLU 93 11.145 -6.025 8.603 552 2HG GLU 93 1HG GLU 93 10.326 -7.340 7.761 553 H ALA 94 H ALA 94 7.543 -4.330 6.414 554 HA ALA 94 HA ALA 94 7.843 -2.574 4.253 555 1HB ALA 94 1HB ALA 94 5.479 -2.734 3.966 556 2HB ALA 94 2HB ALA 94 5.251 -3.219 5.646 557 3HB ALA 94 3HB ALA 94 6.056 -4.307 4.515 558 H ASN 95 H ASN 95 6.725 -2.048 7.553 559 HA ASN 95 HA ASN 95 5.770 0.572 7.233 560 1HB ASN 95 2HB ASN 95 6.563 -1.150 9.505 561 2HB ASN 95 1HB ASN 95 6.607 0.584 9.809 562 1HD2 ASN 95 1HD2 ASN 95 4.629 -2.173 9.221 563 2HD2 ASN 95 2HD2 ASN 95 3.100 -1.401 9.492 564 H GLN 96 H GLN 96 8.989 -0.652 8.093 565 HA GLN 96 HA GLN 96 10.162 1.845 8.562 566 1HB GLN 96 2HB GLN 96 12.122 0.710 8.851 567 2HB GLN 96 1HB GLN 96 11.010 -0.643 8.965 568 1HG GLN 96 2HG GLN 96 12.555 -1.502 7.533 569 2HG GLN 96 1HG GLN 96 11.430 -0.794 6.379 570 1HE2 GLN 96 1HE2 GLN 96 14.058 0.470 8.405 571 2HE2 GLN 96 2HE2 GLN 96 14.902 1.261 7.113 572 H LEU 97 H LEU 97 9.727 -0.043 5.629 573 HA LEU 97 HA LEU 97 11.350 1.490 3.922 574 1HB LEU 97 2HB LEU 97 8.824 -0.009 3.218 575 2HB LEU 97 1HB LEU 97 10.075 0.495 2.097 576 HG LEU 97 HG LEU 97 10.749 -1.347 4.360 577 1HD1 LEU 97 1HD1 LEU 97 9.769 -3.140 3.464 578 2HD1 LEU 97 2HD1 LEU 97 10.194 -2.666 1.820 579 3HD1 LEU 97 3HD1 LEU 97 8.759 -1.990 2.589 580 1HD2 LEU 97 1HD2 LEU 97 11.861 -0.981 1.583 581 2HD2 LEU 97 2HD2 LEU 97 12.475 -2.093 2.807 582 3HD2 LEU 97 3HD2 LEU 97 12.566 -0.353 3.073 583 H LEU 98 H LEU 98 7.965 1.800 4.880 584 HA LEU 98 HA LEU 98 7.488 4.063 3.169 585 1HB LEU 98 2HB LEU 98 5.848 3.106 5.515 586 2HB LEU 98 1HB LEU 98 5.321 4.186 4.241 587 HG LEU 98 HG LEU 98 5.936 1.246 3.989 588 1HD1 LEU 98 1HD1 LEU 98 3.707 0.885 3.895 589 2HD1 LEU 98 2HD1 LEU 98 3.373 2.441 3.136 590 3HD1 LEU 98 3HD1 LEU 98 3.672 2.353 4.873 591 1HD2 LEU 98 1HD2 LEU 98 5.120 1.614 1.611 592 2HD2 LEU 98 2HD2 LEU 98 6.750 2.175 1.985 593 3HD2 LEU 98 3HD2 LEU 98 5.420 3.330 1.888 594 H ARG 99 H ARG 99 8.441 3.506 6.482 595 HA ARG 99 HA ARG 99 7.991 6.113 7.475 596 1HB ARG 99 2HB ARG 99 8.601 3.812 8.661 597 2HB ARG 99 1HB ARG 99 10.230 4.464 8.544 598 1HG ARG 99 2HG ARG 99 9.359 6.538 9.677 599 2HG ARG 99 1HG ARG 99 7.873 5.638 9.989 600 1HD ARG 99 2HD ARG 99 8.907 4.179 11.450 601 2HD ARG 99 1HD ARG 99 10.503 4.452 10.755 602 HE ARG 99 HE ARG 99 10.779 6.242 12.164 603 1HH1 ARG 99 1HH1 ARG 99 7.424 5.282 12.181 604 2HH1 ARG 99 2HH1 ARG 99 7.007 6.310 13.509 605 1HH2 ARG 99 1HH2 ARG 99 10.233 7.594 13.913 606 2HH2 ARG 99 2HH2 ARG 99 8.601 7.623 14.493 607 H ASP 100 H ASP 100 10.507 4.726 5.535 608 HA ASP 100 HA ASP 100 12.320 6.950 6.003 609 1HB ASP 100 2HB ASP 100 12.536 4.259 4.934 610 2HB ASP 100 1HB ASP 100 13.336 5.432 3.895 611 H SER 101 H SER 101 9.598 7.025 4.479 612 HA SER 101 HA SER 101 10.368 7.836 1.829 613 1HB SER 101 2HB SER 101 7.709 8.271 3.205 614 2HB SER 101 1HB SER 101 8.028 8.283 1.471 615 HG SER 101 HG SER 101 8.544 6.007 3.063 616 H SER 102 H SER 102 9.998 9.348 4.908 617 HA SER 102 HA SER 102 9.425 11.977 4.164 618 1HB SER 102 2HB SER 102 10.779 12.509 6.327 619 2HB SER 102 1HB SER 102 9.291 11.573 6.462 620 HG SER 102 HG SER 102 11.857 10.392 6.220 621 H ILE 103 H ILE 103 12.455 10.192 4.187 622 HA ILE 103 HA ILE 103 14.285 12.245 3.938 623 HB ILE 103 HB ILE 103 14.357 9.540 2.624 624 1HG1 ILE 103 2HG1 ILE 103 14.063 9.639 5.120 625 2HG1 ILE 103 1HG1 ILE 103 15.520 8.827 4.577 626 1HG2 ILE 103 1HG2 ILE 103 16.925 10.097 2.995 627 2HG2 ILE 103 2HG2 ILE 103 16.335 11.748 2.804 628 3HG2 ILE 103 3HG2 ILE 103 16.074 10.566 1.523 629 1HD1 ILE 103 1HD1 ILE 103 16.730 10.148 5.865 630 2HD1 ILE 103 2HD1 ILE 103 15.269 10.995 6.372 631 3HD1 ILE 103 3HD1 ILE 103 16.162 11.548 4.955 632 H THR 104 H THR 104 12.691 10.456 1.300 633 HA THR 104 HA THR 104 13.602 12.409 -0.642 634 HB THR 104 HB THR 104 12.830 10.932 -2.310 635 HG1 THR 104 1HG THR 104 11.346 9.532 -0.347 636 1HG2 THR 104 1HG2 THR 104 14.733 9.956 -1.195 637 2HG2 THR 104 2HG2 THR 104 13.605 8.693 -1.687 638 3HG2 THR 104 3HG2 THR 104 13.678 9.203 0.000 639 H SER 105 H SER 105 11.025 12.115 1.453 640 HA SER 105 HA SER 105 9.223 13.474 1.783 641 1HB SER 105 2HB SER 105 9.338 14.704 -0.925 642 2HB SER 105 1HB SER 105 8.976 15.443 0.633 643 HG SER 105 HG SER 105 11.124 15.850 -0.485 644 H LYS 106 H LYS 106 9.557 11.163 -0.580 645 HA LYS 106 HA LYS 106 6.715 10.718 -0.640 646 1HB LYS 106 2HB LYS 106 6.462 10.733 -3.048 647 2HB LYS 106 1HB LYS 106 7.017 12.308 -2.501 648 1HG LYS 106 2HG LYS 106 9.008 12.128 -3.554 649 2HG LYS 106 1HG LYS 106 9.102 10.382 -3.315 650 1HD LYS 106 2HD LYS 106 8.822 11.022 -5.691 651 2HD LYS 106 1HD LYS 106 7.511 10.008 -5.091 652 1HE LYS 106 2HE LYS 106 6.052 11.546 -5.751 653 2HE LYS 106 1HE LYS 106 6.761 12.683 -4.604 654 1HZ LYS 106 1HZ LYS 106 8.160 12.325 -7.136 655 2HZ LYS 106 2HZ LYS 106 7.927 13.725 -6.217 656 3HZ LYS 106 3HZ LYS 106 6.679 13.141 -7.199 657 H VAL 107 H VAL 107 6.177 8.693 -1.876 658 HA VAL 107 HA VAL 107 8.394 6.845 -2.227 659 HB VAL 107 HB VAL 107 7.842 6.726 0.189 660 1HG1 VAL 107 1HG1 VAL 107 5.740 5.666 0.882 661 2HG1 VAL 107 2HG1 VAL 107 5.179 5.712 -0.791 662 3HG1 VAL 107 3HG1 VAL 107 5.469 7.216 0.084 663 1HG2 VAL 107 1HG2 VAL 107 6.974 4.114 -0.917 664 2HG2 VAL 107 2HG2 VAL 107 8.213 4.479 0.282 665 3HG2 VAL 107 3HG2 VAL 107 8.537 4.746 -1.430 666 H THR 108 H THR 108 7.893 5.006 -3.421 667 HA THR 108 HA THR 108 5.241 5.043 -4.706 668 HB THR 108 HB THR 108 6.864 3.527 -6.350 669 HG1 THR 108 1HG THR 108 8.758 4.103 -5.389 670 1HG2 THR 108 1HG2 THR 108 6.104 6.420 -6.459 671 2HG2 THR 108 2HG2 THR 108 5.439 5.062 -7.364 672 3HG2 THR 108 3HG2 THR 108 7.057 5.659 -7.730 673 H LEU 109 H LEU 109 4.013 3.534 -3.752 674 HA LEU 109 HA LEU 109 5.250 0.996 -2.961 675 1HB LEU 109 2HB LEU 109 3.003 0.668 -1.791 676 2HB LEU 109 1HB LEU 109 4.098 1.874 -1.137 677 HG LEU 109 HG LEU 109 2.129 2.873 -3.096 678 1HD1 LEU 109 1HD1 LEU 109 0.867 1.178 -1.737 679 2HD1 LEU 109 2HD1 LEU 109 0.265 2.834 -1.630 680 3HD1 LEU 109 3HD1 LEU 109 1.229 2.159 -0.316 681 1HD2 LEU 109 1HD2 LEU 109 1.952 4.608 -1.221 682 2HD2 LEU 109 2HD2 LEU 109 3.476 4.504 -2.101 683 3HD2 LEU 109 3HD2 LEU 109 3.331 3.777 -0.501 684 H GLU 110 H GLU 110 4.920 -0.802 -4.072 685 HA GLU 110 HA GLU 110 2.953 -0.797 -6.235 686 1HB GLU 110 2HB GLU 110 5.467 -2.221 -5.674 687 2HB GLU 110 1HB GLU 110 4.213 -3.227 -6.380 688 1HG GLU 110 2HG GLU 110 4.400 -0.715 -7.768 689 2HG GLU 110 1HG GLU 110 5.969 -1.517 -7.705 690 H ILE 111 H ILE 111 1.017 -1.656 -5.927 691 HA ILE 111 HA ILE 111 0.712 -3.854 -4.007 692 HB ILE 111 HB ILE 111 -1.672 -2.632 -3.752 693 1HG1 ILE 111 2HG1 ILE 111 0.021 -0.238 -3.448 694 2HG1 ILE 111 1HG1 ILE 111 -0.320 -0.705 -5.112 695 1HG2 ILE 111 1HG2 ILE 111 -0.561 -1.550 -1.657 696 2HG2 ILE 111 2HG2 ILE 111 0.854 -2.462 -2.184 697 3HG2 ILE 111 3HG2 ILE 111 -0.649 -3.305 -1.810 698 1HD1 ILE 111 1HD1 ILE 111 -2.056 0.692 -4.689 699 2HD1 ILE 111 2HD1 ILE 111 -2.167 0.225 -2.992 700 3HD1 ILE 111 3HD1 ILE 111 -2.770 -0.857 -4.247 701 H GLU 112 H GLU 112 -1.396 -5.007 -4.280 702 HA GLU 112 HA GLU 112 -2.204 -5.039 -7.115 703 1HB GLU 112 2HB GLU 112 -0.955 -7.077 -6.350 704 2HB GLU 112 1HB GLU 112 -2.257 -7.383 -5.208 705 1HG GLU 112 2HG GLU 112 -3.772 -7.926 -6.876 706 2HG GLU 112 1HG GLU 112 -2.851 -7.086 -8.123 707 H PHE 113 H PHE 113 -4.271 -4.610 -7.517 708 HA PHE 113 HA PHE 113 -6.181 -4.768 -5.279 709 1HB PHE 113 2HB PHE 113 -7.340 -2.859 -6.180 710 2HB PHE 113 1HB PHE 113 -5.636 -2.447 -6.036 711 HD1 PHE 113 1HD PHE 113 -4.205 -2.455 -8.087 712 HD2 PHE 113 2HD PHE 113 -8.442 -2.799 -8.254 713 HE1 PHE 113 1HE PHE 113 -4.159 -1.818 -10.462 714 HE2 PHE 113 2HE PHE 113 -8.403 -2.163 -10.631 715 HZ PHE 113 HZ PHE 113 -6.260 -1.676 -11.740 716 H ASP 114 H ASP 114 -8.276 -5.469 -5.704 717 HA ASP 114 HA ASP 114 -8.670 -6.783 -8.310 718 1HB ASP 114 2HB ASP 114 -8.218 -8.426 -6.511 719 2HB ASP 114 1HB ASP 114 -9.597 -7.799 -5.614 720 H VAL 115 H VAL 115 -9.982 -5.291 -9.246 721 HA VAL 115 HA VAL 115 -11.973 -3.792 -7.984 722 HB VAL 115 HB VAL 115 -12.877 -3.361 -10.215 723 1HG1 VAL 115 1HG1 VAL 115 -10.943 -2.319 -11.165 724 2HG1 VAL 115 2HG1 VAL 115 -9.867 -3.423 -10.309 725 3HG1 VAL 115 3HG1 VAL 115 -10.805 -2.229 -9.409 726 1HG2 VAL 115 1HG2 VAL 115 -12.689 -5.641 -11.106 727 2HG2 VAL 115 2HG2 VAL 115 -10.936 -5.466 -11.165 728 3HG2 VAL 115 3HG2 VAL 115 -11.958 -4.454 -12.186 729 H ALA 116 H ALA 116 -14.348 -3.933 -8.564 730 HA ALA 116 HA ALA 116 -15.557 -6.394 -9.204 731 1HB ALA 116 1HB ALA 116 -16.531 -6.632 -6.761 732 2HB ALA 116 2HB ALA 116 -14.990 -5.892 -6.329 733 3HB ALA 116 3HB ALA 116 -15.019 -7.408 -7.229 734 H GLU 117 H GLU 117 -16.016 -3.884 -10.101 735 HA GLU 117 HA GLU 117 -18.790 -3.569 -9.718 736 1HB GLU 117 2HB GLU 117 -18.812 -1.350 -8.648 737 2HB GLU 117 1HB GLU 117 -18.162 -2.589 -7.582 738 1HG GLU 117 2HG GLU 117 -16.163 -1.605 -7.455 739 2HG GLU 117 1HG GLU 117 -16.133 -1.218 -9.175 740 H SER 118 H SER 118 -17.349 -3.891 -11.970 741 HA SER 118 HA SER 118 -17.126 -1.232 -13.197 742 1HB SER 118 2HB SER 118 -15.993 -2.487 -15.069 743 2HB SER 118 1HB SER 118 -15.143 -2.542 -13.525 744 HG SER 118 HG SER 118 -15.181 -4.612 -14.250 Start of MODEL 3 1 1H GLN 18 1HT GLN 18 -7.087 -13.435 -18.028 2 2H GLN 18 2HT GLN 18 -8.367 -13.929 -19.059 3 3H GLN 18 3HT GLN 18 -8.628 -13.793 -17.368 4 HA GLN 18 HA GLN 18 -8.260 -11.688 -19.368 5 1HB GLN 18 2HB GLN 18 -10.501 -12.741 -18.674 6 2HB GLN 18 1HB GLN 18 -10.263 -11.937 -17.128 7 1HG GLN 18 2HG GLN 18 -10.862 -9.951 -17.941 8 2HG GLN 18 1HG GLN 18 -9.909 -10.162 -19.410 9 1HE2 GLN 18 1HE2 GLN 18 -11.677 -9.154 -20.510 10 2HE2 GLN 18 2HE2 GLN 18 -13.074 -10.084 -20.944 11 H VAL 19 H VAL 19 -8.120 -9.501 -18.537 12 HA VAL 19 HA VAL 19 -6.560 -9.380 -16.043 13 HB VAL 19 HB VAL 19 -6.567 -7.348 -18.277 14 1HG1 VAL 19 1HG1 VAL 19 -4.412 -7.698 -16.237 15 2HG1 VAL 19 2HG1 VAL 19 -5.872 -6.798 -15.829 16 3HG1 VAL 19 3HG1 VAL 19 -4.855 -6.268 -17.168 17 1HG2 VAL 19 1HG2 VAL 19 -4.561 -8.301 -19.109 18 2HG2 VAL 19 2HG2 VAL 19 -5.711 -9.627 -18.939 19 3HG2 VAL 19 3HG2 VAL 19 -4.437 -9.407 -17.742 20 H VAL 20 H VAL 20 -8.671 -9.344 -14.923 21 HA VAL 20 HA VAL 20 -9.528 -6.588 -14.530 22 HB VAL 20 HB VAL 20 -11.099 -7.489 -16.206 23 1HG1 VAL 20 1HG1 VAL 20 -10.865 -9.859 -14.922 24 2HG1 VAL 20 2HG1 VAL 20 -12.171 -9.459 -16.040 25 3HG1 VAL 20 3HG1 VAL 20 -12.417 -9.297 -14.301 26 1HG2 VAL 20 1HG2 VAL 20 -11.953 -6.659 -13.491 27 2HG2 VAL 20 2HG2 VAL 20 -13.201 -7.242 -14.593 28 3HG2 VAL 20 3HG2 VAL 20 -12.194 -5.867 -15.048 29 H HIS 21 H HIS 21 -10.120 -6.147 -12.449 30 HA HIS 21 HA HIS 21 -10.382 -6.426 -10.203 31 1HB HIS 21 2HB HIS 21 -12.018 -8.319 -11.352 32 2HB HIS 21 1HB HIS 21 -11.039 -9.283 -10.254 33 HD1 HIS 21 1HD HIS 21 -12.240 -5.775 -9.536 34 HD2 HIS 21 2HD HIS 21 -12.925 -9.681 -8.302 35 HE1 HIS 21 1HE HIS 21 -13.751 -5.590 -7.535 36 HE2 HIS 21 2HE HIS 21 -14.222 -7.971 -6.859 37 H THR 22 H THR 22 -7.816 -6.612 -11.112 38 HA THR 22 HA THR 22 -6.373 -7.664 -9.045 39 HB THR 22 HB THR 22 -5.428 -9.708 -10.599 40 HG1 THR 22 1HG THR 22 -8.149 -10.236 -10.730 41 1HG2 THR 22 1HG2 THR 22 -6.661 -9.485 -8.117 42 2HG2 THR 22 2HG2 THR 22 -5.821 -10.887 -8.777 43 3HG2 THR 22 3HG2 THR 22 -7.566 -10.732 -8.976 44 H GLU 23 H GLU 23 -4.861 -6.131 -9.326 45 HA GLU 23 HA GLU 23 -2.941 -6.414 -11.411 46 1HB GLU 23 2HB GLU 23 -5.099 -4.404 -11.688 47 2HB GLU 23 1HB GLU 23 -3.471 -3.868 -12.086 48 1HG GLU 23 2HG GLU 23 -3.850 -6.373 -13.315 49 2HG GLU 23 1HG GLU 23 -5.296 -5.414 -13.627 50 H THR 24 H THR 24 -1.128 -5.022 -11.173 51 HA THR 24 HA THR 24 -0.817 -4.059 -8.448 52 HB THR 24 HB THR 24 1.565 -3.906 -8.982 53 HG1 THR 24 1HG THR 24 0.836 -4.769 -11.581 54 1HG2 THR 24 1HG2 THR 24 1.384 -6.047 -8.324 55 2HG2 THR 24 2HG2 THR 24 1.768 -6.364 -10.017 56 3HG2 THR 24 3HG2 THR 24 0.092 -6.407 -9.469 57 H THR 25 H THR 25 -0.892 -1.964 -7.895 58 HA THR 25 HA THR 25 -0.810 0.020 -10.077 59 HB THR 25 HB THR 25 -3.002 -0.067 -9.033 60 HG1 THR 25 1HG THR 25 -2.839 1.989 -9.405 61 1HG2 THR 25 1HG2 THR 25 -1.498 -0.298 -6.593 62 2HG2 THR 25 2HG2 THR 25 -3.202 -0.622 -6.904 63 3HG2 THR 25 3HG2 THR 25 -2.673 1.013 -6.508 64 H GLU 26 H GLU 26 0.659 1.584 -10.009 65 HA GLU 26 HA GLU 26 2.479 1.674 -7.727 66 1HB GLU 26 2HB GLU 26 2.935 1.775 -10.438 67 2HB GLU 26 1HB GLU 26 3.031 3.470 -9.983 68 1HG GLU 26 2HG GLU 26 4.517 2.190 -8.042 69 2HG GLU 26 1HG GLU 26 4.903 1.307 -9.518 70 H VAL 27 H VAL 27 1.533 2.865 -6.156 71 HA VAL 27 HA VAL 27 0.484 5.512 -6.882 72 HB VAL 27 HB VAL 27 -0.150 5.023 -4.196 73 1HG1 VAL 27 1HG1 VAL 27 -2.105 4.462 -6.376 74 2HG1 VAL 27 2HG1 VAL 27 -1.411 6.076 -6.230 75 3HG1 VAL 27 3HG1 VAL 27 -2.315 5.380 -4.885 76 1HG2 VAL 27 1HG2 VAL 27 -0.762 2.584 -5.862 77 2HG2 VAL 27 2HG2 VAL 27 -1.327 2.894 -4.221 78 3HG2 VAL 27 3HG2 VAL 27 0.393 2.653 -4.530 79 H VAL 28 H VAL 28 1.403 7.323 -6.126 80 HA VAL 28 HA VAL 28 3.862 7.033 -4.583 81 HB VAL 28 HB VAL 28 2.777 9.535 -5.872 82 1HG1 VAL 28 1HG1 VAL 28 4.719 10.561 -5.323 83 2HG1 VAL 28 2HG1 VAL 28 5.668 9.081 -5.468 84 3HG1 VAL 28 3HG1 VAL 28 4.704 9.372 -4.019 85 1HG2 VAL 28 1HG2 VAL 28 4.195 7.212 -7.016 86 2HG2 VAL 28 2HG2 VAL 28 4.795 8.802 -7.489 87 3HG2 VAL 28 3HG2 VAL 28 3.109 8.372 -7.782 88 H LEU 29 H LEU 29 3.813 7.282 -2.447 89 HA LEU 29 HA LEU 29 1.733 8.998 -1.282 90 1HB LEU 29 2HB LEU 29 2.743 6.383 -0.590 91 2HB LEU 29 1HB LEU 29 2.924 7.484 0.760 92 HG LEU 29 HG LEU 29 0.816 6.243 0.876 93 1HD1 LEU 29 1HD1 LEU 29 -0.288 7.990 1.752 94 2HD1 LEU 29 2HD1 LEU 29 -0.194 8.930 0.262 95 3HD1 LEU 29 3HD1 LEU 29 1.185 8.879 1.361 96 1HD2 LEU 29 1HD2 LEU 29 -0.951 7.089 -0.851 97 2HD2 LEU 29 2HD2 LEU 29 0.131 5.760 -1.266 98 3HD2 LEU 29 3HD2 LEU 29 0.468 7.387 -1.857 99 H THR 30 H THR 30 2.344 10.833 -0.339 100 HA THR 30 HA THR 30 5.204 11.268 0.107 101 HB THR 30 HB THR 30 3.886 12.787 -1.431 102 HG1 THR 30 1HG THR 30 5.028 14.151 0.764 103 1HG2 THR 30 1HG2 THR 30 2.651 14.623 -0.382 104 2HG2 THR 30 2HG2 THR 30 2.742 13.781 1.165 105 3HG2 THR 30 3HG2 THR 30 1.850 13.065 -0.178 106 H ALA 31 H ALA 31 5.758 12.746 1.942 107 HA ALA 31 HA ALA 31 4.324 11.847 4.331 108 1HB ALA 31 1HB ALA 31 6.915 13.314 4.448 109 2HB ALA 31 2HB ALA 31 6.894 11.639 3.900 110 3HB ALA 31 3HB ALA 31 6.288 12.050 5.503 111 H ASP 32 H ASP 32 2.871 13.180 5.172 112 HA ASP 32 HA ASP 32 2.745 15.949 4.485 113 1HB ASP 32 2HB ASP 32 0.869 14.205 5.240 114 2HB ASP 32 1HB ASP 32 1.219 14.904 6.819 115 HA PRO 33 HA PRO 33 5.338 17.488 7.730 116 1HB PRO 33 2HB PRO 33 4.718 20.099 7.586 117 2HB PRO 33 1HB PRO 33 5.634 19.286 6.311 118 1HG PRO 33 2HG PRO 33 2.725 19.984 6.402 119 2HG PRO 33 1HG PRO 33 3.872 20.142 5.059 120 1HD PRO 33 2HD PRO 33 2.095 18.076 5.308 121 2HD PRO 33 1HD PRO 33 3.645 17.945 4.453 122 H VAL 34 H VAL 34 2.026 17.223 7.963 123 HA VAL 34 HA VAL 34 1.943 18.483 10.618 124 HB VAL 34 HB VAL 34 -0.404 17.603 8.935 125 1HG1 VAL 34 1HG1 VAL 34 -0.094 18.786 11.620 126 2HG1 VAL 34 2HG1 VAL 34 -1.364 17.747 10.974 127 3HG1 VAL 34 3HG1 VAL 34 -1.367 19.472 10.610 128 1HG2 VAL 34 1HG2 VAL 34 -0.469 19.596 7.894 129 2HG2 VAL 34 2HG2 VAL 34 1.246 19.669 8.302 130 3HG2 VAL 34 3HG2 VAL 34 0.060 20.476 9.329 131 H THR 35 H THR 35 1.345 15.502 8.853 132 HA THR 35 HA THR 35 1.288 14.074 11.418 133 HB THR 35 HB THR 35 -0.429 12.541 10.515 134 HG1 THR 35 1HG THR 35 -0.671 12.612 8.441 135 1HG2 THR 35 1HG2 THR 35 -0.975 15.391 10.983 136 2HG2 THR 35 2HG2 THR 35 -1.644 13.958 11.762 137 3HG2 THR 35 3HG2 THR 35 -2.255 14.474 10.189 138 H GLY 36 H GLY 36 1.180 13.262 7.941 139 1HA GLY 36 2HA GLY 36 3.554 12.492 7.202 140 2HA GLY 36 1HA GLY 36 3.277 11.265 8.428 141 H PHE 37 H PHE 37 2.308 9.435 7.826 142 HA PHE 37 HA PHE 37 0.918 9.414 5.225 143 1HB PHE 37 2HB PHE 37 2.622 7.264 6.496 144 2HB PHE 37 1HB PHE 37 1.649 7.025 5.049 145 HD1 PHE 37 1HD PHE 37 4.365 9.162 6.418 146 HD2 PHE 37 2HD PHE 37 2.551 7.461 2.966 147 HE1 PHE 37 1HE PHE 37 6.220 9.997 5.035 148 HE2 PHE 37 2HE PHE 37 4.405 8.294 1.579 149 HZ PHE 37 HZ PHE 37 6.237 9.566 2.609 150 H GLY 38 H GLY 38 0.968 8.200 8.526 151 1HA GLY 38 2HA GLY 38 -0.651 7.210 9.816 152 2HA GLY 38 1HA GLY 38 -1.788 8.113 8.828 153 H ILE 39 H ILE 39 0.319 5.757 7.375 154 HA ILE 39 HA ILE 39 -2.019 4.017 6.950 155 HB ILE 39 HB ILE 39 -1.121 5.005 4.886 156 1HG1 ILE 39 2HG1 ILE 39 -0.282 2.175 4.608 157 2HG1 ILE 39 1HG1 ILE 39 -1.895 2.442 5.271 158 1HG2 ILE 39 1HG2 ILE 39 1.399 3.460 5.473 159 2HG2 ILE 39 2HG2 ILE 39 1.221 5.201 5.681 160 3HG2 ILE 39 3HG2 ILE 39 1.079 4.488 4.076 161 1HD1 ILE 39 1HD1 ILE 39 -1.318 4.044 2.901 162 2HD1 ILE 39 2HD1 ILE 39 -2.722 3.053 3.294 163 3HD1 ILE 39 3HD1 ILE 39 -1.275 2.303 2.624 164 H GLN 40 H GLN 40 -1.976 2.028 7.770 165 HA GLN 40 HA GLN 40 0.586 1.008 8.794 166 1HB GLN 40 2HB GLN 40 -0.832 -0.423 10.280 167 2HB GLN 40 1HB GLN 40 -0.980 1.303 10.577 168 1HG GLN 40 2HG GLN 40 -2.948 0.574 8.672 169 2HG GLN 40 1HG GLN 40 -3.012 -0.584 9.999 170 1HE2 GLN 40 1HE2 GLN 40 -3.153 2.824 9.178 171 2HE2 GLN 40 2HE2 GLN 40 -4.040 3.319 10.582 172 H LEU 41 H LEU 41 1.454 -0.710 7.858 173 HA LEU 41 HA LEU 41 -0.232 -2.332 6.074 174 1HB LEU 41 2HB LEU 41 2.764 -2.319 6.001 175 2HB LEU 41 1HB LEU 41 1.636 -2.752 4.732 176 HG LEU 41 HG LEU 41 1.715 0.074 5.704 177 1HD1 LEU 41 1HD1 LEU 41 3.994 -0.157 5.325 178 2HD1 LEU 41 2HD1 LEU 41 3.384 0.418 3.774 179 3HD1 LEU 41 3HD1 LEU 41 3.759 -1.292 3.996 180 1HD2 LEU 41 1HD2 LEU 41 0.752 -1.436 3.353 181 2HD2 LEU 41 2HD2 LEU 41 1.407 0.173 3.048 182 3HD2 LEU 41 3HD2 LEU 41 0.058 -0.033 4.166 183 H GLN 42 H GLN 42 -0.797 -4.238 6.867 184 HA GLN 42 HA GLN 42 0.675 -5.423 9.060 185 1HB GLN 42 2HB GLN 42 -1.992 -5.444 8.246 186 2HB GLN 42 1HB GLN 42 -1.434 -7.083 7.941 187 1HG GLN 42 2HG GLN 42 -0.905 -7.443 10.190 188 2HG GLN 42 1HG GLN 42 -0.957 -5.722 10.568 189 1HE2 GLN 42 1HE2 GLN 42 -2.929 -8.486 9.639 190 2HE2 GLN 42 2HE2 GLN 42 -4.398 -7.911 10.358 191 H GLY 43 H GLY 43 1.726 -7.403 9.035 192 1HA GLY 43 2HA GLY 43 2.717 -8.200 6.408 193 2HA GLY 43 1HA GLY 43 3.380 -8.685 7.961 194 H SER 44 H SER 44 0.234 -9.154 8.445 195 HA SER 44 HA SER 44 0.282 -11.881 7.334 196 1HB SER 44 2HB SER 44 -0.892 -12.660 9.308 197 2HB SER 44 1HB SER 44 0.563 -11.799 9.810 198 HG SER 44 HG SER 44 -0.629 -10.195 10.591 199 H VAL 45 H VAL 45 -1.920 -12.860 7.119 200 HA VAL 45 HA VAL 45 -3.897 -10.824 6.322 201 HB VAL 45 HB VAL 45 -3.448 -13.472 4.945 202 1HG1 VAL 45 1HG1 VAL 45 -5.642 -12.954 4.492 203 2HG1 VAL 45 2HG1 VAL 45 -4.823 -12.135 3.164 204 3HG1 VAL 45 3HG1 VAL 45 -5.361 -11.215 4.569 205 1HG2 VAL 45 1HG2 VAL 45 -2.413 -12.249 3.148 206 2HG2 VAL 45 2HG2 VAL 45 -1.555 -11.898 4.647 207 3HG2 VAL 45 3HG2 VAL 45 -2.684 -10.719 3.980 208 H PHE 46 H PHE 46 -3.302 -13.297 8.444 209 HA PHE 46 HA PHE 46 -5.980 -13.407 9.347 210 1HB PHE 46 2HB PHE 46 -5.409 -15.190 7.245 211 2HB PHE 46 1HB PHE 46 -5.428 -16.167 8.708 212 HD1 PHE 46 1HD PHE 46 -7.392 -14.675 6.185 213 HD2 PHE 46 2HD PHE 46 -7.465 -15.836 10.278 214 HE1 PHE 46 1HE PHE 46 -9.852 -14.699 6.129 215 HE2 PHE 46 2HE PHE 46 -9.925 -15.863 10.231 216 HZ PHE 46 HZ PHE 46 -11.121 -15.294 8.154 217 H ALA 47 H ALA 47 -5.998 -13.937 11.447 218 HA ALA 47 HA ALA 47 -5.269 -14.543 13.514 219 1HB ALA 47 1HB ALA 47 -4.435 -16.694 13.778 220 2HB ALA 47 2HB ALA 47 -3.537 -16.639 12.261 221 3HB ALA 47 3HB ALA 47 -5.294 -16.786 12.239 222 H THR 48 H THR 48 -4.015 -13.084 14.480 223 HA THR 48 HA THR 48 -1.570 -12.154 13.465 224 HB THR 48 HB THR 48 -2.987 -10.805 14.938 225 HG1 THR 48 1HG THR 48 -0.417 -11.353 16.005 226 1HG2 THR 48 1HG2 THR 48 -2.461 -12.995 16.860 227 2HG2 THR 48 2HG2 THR 48 -3.913 -12.026 16.610 228 3HG2 THR 48 3HG2 THR 48 -2.538 -11.345 17.479 229 H GLU 49 H GLU 49 -2.318 -14.971 15.173 230 HA GLU 49 HA GLU 49 0.358 -15.246 16.304 231 1HB GLU 49 2HB GLU 49 -2.011 -15.972 17.330 232 2HB GLU 49 1HB GLU 49 -1.608 -17.462 16.488 233 1HG GLU 49 2HG GLU 49 0.696 -17.138 17.713 234 2HG GLU 49 1HG GLU 49 -0.289 -16.181 18.818 235 H THR 50 H THR 50 -0.292 -15.332 13.357 236 HA THR 50 HA THR 50 1.479 -17.419 12.678 237 HB THR 50 HB THR 50 -1.046 -17.932 11.263 238 HG1 THR 50 1HG THR 50 -1.947 -17.739 13.275 239 1HG2 THR 50 1HG2 THR 50 -0.281 -20.314 12.184 240 2HG2 THR 50 2HG2 THR 50 1.267 -19.468 12.244 241 3HG2 THR 50 3HG2 THR 50 0.382 -19.583 10.723 242 H LEU 51 H LEU 51 1.387 -17.721 10.132 243 HA LEU 51 HA LEU 51 0.485 -15.452 8.648 244 1HB LEU 51 2HB LEU 51 2.847 -15.044 9.981 245 2HB LEU 51 1HB LEU 51 3.404 -15.594 8.410 246 HG LEU 51 HG LEU 51 1.521 -13.275 8.848 247 1HD1 LEU 51 1HD1 LEU 51 3.388 -11.844 8.350 248 2HD1 LEU 51 2HD1 LEU 51 4.443 -13.238 8.115 249 3HD1 LEU 51 3HD1 LEU 51 3.802 -12.876 9.719 250 1HD2 LEU 51 1HD2 LEU 51 2.582 -12.957 6.389 251 2HD2 LEU 51 2HD2 LEU 51 1.044 -13.761 6.702 252 3HD2 LEU 51 3HD2 LEU 51 2.510 -14.716 6.480 253 H SER 52 H SER 52 0.371 -15.901 6.504 254 HA SER 52 HA SER 52 1.986 -17.994 5.328 255 1HB SER 52 2HB SER 52 -0.335 -18.790 6.500 256 2HB SER 52 1HB SER 52 -0.877 -18.459 4.856 257 HG SER 52 HG SER 52 0.821 -19.854 4.133 258 H SER 53 H SER 53 1.275 -15.113 5.006 259 HA SER 53 HA SER 53 1.084 -15.142 2.125 260 1HB SER 53 2HB SER 53 -1.154 -14.260 3.856 261 2HB SER 53 1HB SER 53 -0.751 -13.194 2.511 262 HG SER 53 HG SER 53 -1.922 -14.547 1.406 263 HA PRO 54 HA PRO 54 3.732 -11.637 2.472 264 1HB PRO 54 2HB PRO 54 2.939 -10.089 0.371 265 2HB PRO 54 1HB PRO 54 3.896 -11.563 0.186 266 1HG PRO 54 2HG PRO 54 0.952 -11.159 -0.158 267 2HG PRO 54 1HG PRO 54 2.077 -12.096 -1.158 268 1HD PRO 54 2HD PRO 54 0.442 -13.260 0.648 269 2HD PRO 54 1HD PRO 54 2.059 -13.897 0.289 270 HA PRO 55 HA PRO 55 1.872 -8.242 4.584 271 1HB PRO 55 2HB PRO 55 3.070 -6.030 3.501 272 2HB PRO 55 1HB PRO 55 3.855 -7.102 4.665 273 1HG PRO 55 2HG PRO 55 4.110 -7.032 1.684 274 2HG PRO 55 1HG PRO 55 5.372 -7.243 2.911 275 1HD PRO 55 2HD PRO 55 4.372 -9.324 1.530 276 2HD PRO 55 1HD PRO 55 4.862 -9.479 3.230 277 H LEU 56 H LEU 56 0.712 -6.083 4.255 278 HA LEU 56 HA LEU 56 -0.293 -5.302 1.761 279 1HB LEU 56 2HB LEU 56 -2.574 -6.173 1.874 280 2HB LEU 56 1HB LEU 56 -1.396 -7.463 1.736 281 HG LEU 56 HG LEU 56 -2.643 -6.636 4.355 282 1HD1 LEU 56 1HD1 LEU 56 -3.421 -9.044 2.745 283 2HD1 LEU 56 2HD1 LEU 56 -4.257 -7.502 2.578 284 3HD1 LEU 56 3HD1 LEU 56 -4.239 -8.331 4.134 285 1HD2 LEU 56 1HD2 LEU 56 -1.916 -9.078 4.838 286 2HD2 LEU 56 2HD2 LEU 56 -0.705 -7.795 4.870 287 3HD2 LEU 56 3HD2 LEU 56 -0.838 -8.848 3.460 288 H ILE 57 H ILE 57 -2.315 -3.900 2.016 289 HA ILE 57 HA ILE 57 -1.873 -2.132 4.232 290 HB ILE 57 HB ILE 57 -3.847 -2.110 1.953 291 1HG1 ILE 57 2HG1 ILE 57 -2.430 0.185 1.782 292 2HG1 ILE 57 1HG1 ILE 57 -1.241 -0.844 2.573 293 1HG2 ILE 57 1HG2 ILE 57 -4.066 0.383 2.948 294 2HG2 ILE 57 2HG2 ILE 57 -3.855 -0.528 4.444 295 3HG2 ILE 57 3HG2 ILE 57 -5.178 -0.928 3.347 296 1HD1 ILE 57 1HD1 ILE 57 -1.907 -2.510 0.654 297 2HD1 ILE 57 2HD1 ILE 57 -0.732 -1.222 0.388 298 3HD1 ILE 57 3HD1 ILE 57 -2.398 -1.022 -0.153 299 H SER 58 H SER 58 -3.186 -1.747 5.992 300 HA SER 58 HA SER 58 -5.352 -3.701 6.412 301 1HB SER 58 2HB SER 58 -3.503 -4.175 7.896 302 2HB SER 58 1HB SER 58 -3.446 -2.494 8.426 303 HG SER 58 HG SER 58 -4.594 -3.548 9.965 304 H TYR 59 H TYR 59 -4.377 -0.338 6.724 305 HA TYR 59 HA TYR 59 -7.109 0.496 6.765 306 1HB TYR 59 2HB TYR 59 -6.561 -0.216 9.179 307 2HB TYR 59 1HB TYR 59 -5.565 1.234 9.238 308 HD1 TYR 59 1HD TYR 59 -9.038 0.098 8.518 309 HD2 TYR 59 2HD TYR 59 -6.526 3.282 9.802 310 HE1 TYR 59 1HE TYR 59 -11.026 1.430 9.085 311 HE2 TYR 59 2HE TYR 59 -8.506 4.622 10.374 312 HH TYR 59 HH TYR 59 -11.521 3.386 10.735 313 H ILE 60 H ILE 60 -7.307 2.884 7.025 314 HA ILE 60 HA ILE 60 -4.895 4.403 6.418 315 HB ILE 60 HB ILE 60 -7.167 5.078 4.654 316 1HG1 ILE 60 2HG1 ILE 60 -5.441 2.652 4.101 317 2HG1 ILE 60 1HG1 ILE 60 -7.153 2.604 4.506 318 1HG2 ILE 60 1HG2 ILE 60 -4.177 4.893 4.336 319 2HG2 ILE 60 2HG2 ILE 60 -5.147 6.353 4.533 320 3HG2 ILE 60 3HG2 ILE 60 -5.278 5.400 3.055 321 1HD1 ILE 60 1HD1 ILE 60 -6.262 4.205 2.163 322 2HD1 ILE 60 2HD1 ILE 60 -7.797 3.390 2.454 323 3HD1 ILE 60 3HD1 ILE 60 -6.366 2.450 2.029 324 H GLU 61 H GLU 61 -5.172 6.708 6.746 325 HA GLU 61 HA GLU 61 -7.169 7.234 8.782 326 1HB GLU 61 2HB GLU 61 -4.571 8.022 8.484 327 2HB GLU 61 1HB GLU 61 -5.433 9.452 7.930 328 1HG GLU 61 2HG GLU 61 -6.326 9.883 9.984 329 2HG GLU 61 1HG GLU 61 -6.295 8.190 10.476 330 H ALA 62 H ALA 62 -8.529 9.084 8.784 331 HA ALA 62 HA ALA 62 -9.688 9.578 6.173 332 1HB ALA 62 1HB ALA 62 -10.959 9.060 8.360 333 2HB ALA 62 2HB ALA 62 -11.595 10.303 7.282 334 3HB ALA 62 3HB ALA 62 -10.696 10.765 8.729 335 H ASP 63 H ASP 63 -7.149 10.663 6.537 336 HA ASP 63 HA ASP 63 -7.460 13.244 5.572 337 1HB ASP 63 2HB ASP 63 -8.117 13.724 7.936 338 2HB ASP 63 1HB ASP 63 -6.509 13.212 8.444 339 H SER 64 H SER 64 -5.908 10.714 5.321 340 HA SER 64 HA SER 64 -3.205 11.878 5.322 341 1HB SER 64 2HB SER 64 -2.546 9.340 5.323 342 2HB SER 64 1HB SER 64 -2.989 10.129 6.838 343 HG SER 64 HG SER 64 -4.735 8.607 5.195 344 HA PRO 65 HA PRO 65 -3.251 11.739 0.889 345 1HB PRO 65 2HB PRO 65 -0.486 10.671 1.331 346 2HB PRO 65 1HB PRO 65 -1.038 11.931 0.218 347 1HG PRO 65 2HG PRO 65 0.174 12.569 2.504 348 2HG PRO 65 1HG PRO 65 -1.182 13.530 1.888 349 1HD PRO 65 2HD PRO 65 -1.090 11.631 4.166 350 2HD PRO 65 1HD PRO 65 -2.127 13.049 3.917 351 H ALA 66 H ALA 66 -2.179 9.001 2.817 352 HA ALA 66 HA ALA 66 -2.105 7.068 0.777 353 1HB ALA 66 1HB ALA 66 -2.750 5.565 2.895 354 2HB ALA 66 2HB ALA 66 -2.248 7.034 3.732 355 3HB ALA 66 3HB ALA 66 -1.131 6.218 2.639 356 H GLU 67 H GLU 67 -4.717 8.153 2.906 357 HA GLU 67 HA GLU 67 -6.627 6.302 1.817 358 1HB GLU 67 2HB GLU 67 -6.999 6.902 4.066 359 2HB GLU 67 1HB GLU 67 -6.780 8.611 3.735 360 1HG GLU 67 2HG GLU 67 -9.106 8.065 4.188 361 2HG GLU 67 1HG GLU 67 -8.890 8.679 2.550 362 H ARG 68 H ARG 68 -6.160 9.822 1.638 363 HA ARG 68 HA ARG 68 -8.268 10.212 -0.230 364 1HB ARG 68 2HB ARG 68 -7.035 12.483 -0.544 365 2HB ARG 68 1HB ARG 68 -7.858 12.130 0.967 366 1HG ARG 68 2HG ARG 68 -5.132 11.218 1.058 367 2HG ARG 68 1HG ARG 68 -5.214 12.924 0.618 368 1HD ARG 68 2HD ARG 68 -5.064 12.646 3.039 369 2HD ARG 68 1HD ARG 68 -6.591 13.379 2.572 370 HE ARG 68 HE ARG 68 -6.216 10.636 3.570 371 1HH1 ARG 68 1HH1 ARG 68 -8.370 13.209 2.556 372 2HH1 ARG 68 2HH1 ARG 68 -9.755 12.514 3.326 373 1HH2 ARG 68 1HH2 ARG 68 -8.049 9.749 4.596 374 2HH2 ARG 68 2HH2 ARG 68 -9.575 10.554 4.473 375 H CYS 69 H CYS 69 -5.220 8.888 -0.642 376 HA CYS 69 HA CYS 69 -4.280 9.939 -3.022 377 1HB CYS 69 2HB CYS 69 -3.732 7.676 -1.416 378 2HB CYS 69 1HB CYS 69 -3.962 7.080 -3.056 379 HG CYS 69 HG CYS 69 -1.965 8.483 -3.837 380 H GLY 70 H GLY 70 -7.067 7.959 -2.450 381 1HA GLY 70 2HA GLY 70 -8.800 7.416 -3.868 382 2HA GLY 70 1HA GLY 70 -8.004 8.358 -5.121 383 H VAL 71 H VAL 71 -6.430 5.736 -3.432 384 HA VAL 71 HA VAL 71 -6.870 3.914 -5.670 385 HB VAL 71 HB VAL 71 -4.063 4.444 -4.719 386 1HG1 VAL 71 1HG1 VAL 71 -5.067 2.350 -6.098 387 2HG1 VAL 71 2HG1 VAL 71 -3.405 2.926 -6.244 388 3HG1 VAL 71 3HG1 VAL 71 -4.620 3.427 -7.421 389 1HG2 VAL 71 1HG2 VAL 71 -5.630 5.829 -6.856 390 2HG2 VAL 71 2HG2 VAL 71 -3.890 5.606 -7.034 391 3HG2 VAL 71 3HG2 VAL 71 -4.528 6.508 -5.659 392 H LEU 72 H LEU 72 -5.044 4.347 -2.640 393 HA LEU 72 HA LEU 72 -5.101 1.551 -2.024 394 1HB LEU 72 2HB LEU 72 -4.304 3.990 -0.450 395 2HB LEU 72 1HB LEU 72 -4.250 2.374 0.226 396 HG LEU 72 HG LEU 72 -2.812 2.893 -2.335 397 1HD1 LEU 72 1HD1 LEU 72 -2.360 4.632 -0.349 398 2HD1 LEU 72 2HD1 LEU 72 -1.096 4.055 -1.437 399 3HD1 LEU 72 3HD1 LEU 72 -1.289 3.325 0.156 400 1HD2 LEU 72 1HD2 LEU 72 -2.754 0.950 -0.101 401 2HD2 LEU 72 2HD2 LEU 72 -1.216 1.335 -0.873 402 3HD2 LEU 72 3HD2 LEU 72 -2.548 0.696 -1.835 403 H GLN 73 H GLN 73 -6.562 0.430 -0.899 404 HA GLN 73 HA GLN 73 -8.673 1.924 0.511 405 1HB GLN 73 2HB GLN 73 -9.036 0.381 -1.733 406 2HB GLN 73 1HB GLN 73 -9.406 -0.754 -0.442 407 1HG GLN 73 2HG GLN 73 -11.457 0.099 -0.511 408 2HG GLN 73 1HG GLN 73 -10.770 1.479 0.344 409 1HE2 GLN 73 1HE2 GLN 73 -12.511 0.524 -2.304 410 2HE2 GLN 73 2HE2 GLN 73 -12.332 1.945 -3.282 411 H ILE 74 H ILE 74 -9.982 -0.086 1.762 412 HA ILE 74 HA ILE 74 -8.010 -0.932 3.736 413 HB ILE 74 HB ILE 74 -11.002 -1.262 3.896 414 1HG1 ILE 74 2HG1 ILE 74 -10.299 1.128 3.538 415 2HG1 ILE 74 1HG1 ILE 74 -11.139 0.830 5.056 416 1HG2 ILE 74 1HG2 ILE 74 -10.322 -2.508 5.640 417 2HG2 ILE 74 2HG2 ILE 74 -10.115 -0.944 6.428 418 3HG2 ILE 74 3HG2 ILE 74 -8.729 -1.754 5.695 419 1HD1 ILE 74 1HD1 ILE 74 -8.154 0.823 4.941 420 2HD1 ILE 74 2HD1 ILE 74 -9.219 1.111 6.317 421 3HD1 ILE 74 3HD1 ILE 74 -9.057 2.334 5.055 422 H GLY 75 H GLY 75 -7.116 -2.561 2.223 423 1HA GLY 75 2HA GLY 75 -7.311 -5.088 2.790 424 2HA GLY 75 1HA GLY 75 -8.824 -4.933 1.912 425 H ASP 76 H ASP 76 -5.683 -3.444 1.203 426 HA ASP 76 HA ASP 76 -5.852 -4.418 -1.521 427 1HB ASP 76 2HB ASP 76 -3.647 -2.789 -0.253 428 2HB ASP 76 1HB ASP 76 -3.963 -2.988 -1.973 429 H ARG 77 H ARG 77 -3.393 -4.957 -2.354 430 HA ARG 77 HA ARG 77 -2.303 -7.000 -0.543 431 1HB ARG 77 2HB ARG 77 -3.562 -7.408 -3.163 432 2HB ARG 77 1HB ARG 77 -1.989 -8.175 -2.998 433 1HG ARG 77 2HG ARG 77 -3.559 -8.665 -0.651 434 2HG ARG 77 1HG ARG 77 -4.470 -9.114 -2.094 435 1HD ARG 77 2HD ARG 77 -1.683 -9.969 -2.182 436 2HD ARG 77 1HD ARG 77 -2.575 -10.658 -0.827 437 HE ARG 77 HE ARG 77 -2.921 -11.255 -3.616 438 1HH1 ARG 77 1HH1 ARG 77 -4.458 -11.247 -0.484 439 2HH1 ARG 77 2HH1 ARG 77 -5.603 -12.477 -0.903 440 1HH2 ARG 77 1HH2 ARG 77 -4.425 -12.872 -4.170 441 2HH2 ARG 77 2HH2 ARG 77 -5.584 -13.401 -2.996 442 H VAL 78 H VAL 78 -0.658 -5.350 -0.201 443 HA VAL 78 HA VAL 78 0.943 -4.269 -2.218 444 HB VAL 78 HB VAL 78 1.965 -4.975 0.529 445 1HG1 VAL 78 1HG1 VAL 78 2.854 -3.275 -1.698 446 2HG1 VAL 78 2HG1 VAL 78 3.787 -4.071 -0.428 447 3HG1 VAL 78 3HG1 VAL 78 2.966 -2.545 -0.095 448 1HG2 VAL 78 1HG2 VAL 78 -0.304 -3.418 -0.041 449 2HG2 VAL 78 2HG2 VAL 78 0.989 -2.281 0.336 450 3HG2 VAL 78 3HG2 VAL 78 0.559 -3.543 1.490 451 H MET 79 H MET 79 2.959 -4.850 -3.070 452 HA MET 79 HA MET 79 3.840 -7.607 -2.572 453 1HB MET 79 2HB MET 79 2.453 -7.584 -4.615 454 2HB MET 79 1HB MET 79 3.516 -6.368 -5.311 455 1HG MET 79 2HG MET 79 3.986 -8.604 -6.167 456 2HG MET 79 1HG MET 79 5.362 -7.923 -5.304 457 1HE MET 79 1HE MET 79 6.790 -9.861 -4.081 458 2HE MET 79 2HE MET 79 6.151 -10.405 -5.632 459 3HE MET 79 3HE MET 79 6.077 -11.466 -4.226 460 H ALA 80 H ALA 80 4.762 -4.853 -4.651 461 HA ALA 80 HA ALA 80 7.455 -4.979 -3.453 462 1HB ALA 80 1HB ALA 80 8.029 -5.742 -5.506 463 2HB ALA 80 2HB ALA 80 8.036 -4.019 -5.881 464 3HB ALA 80 3HB ALA 80 6.633 -5.006 -6.293 465 H ILE 81 H ILE 81 7.258 -3.267 -2.077 466 HA ILE 81 HA ILE 81 6.204 -0.734 -3.038 467 HB ILE 81 HB ILE 81 7.396 -1.355 -0.334 468 1HG1 ILE 81 2HG1 ILE 81 4.452 -1.155 -0.788 469 2HG1 ILE 81 1HG1 ILE 81 5.261 -2.654 -1.242 470 1HG2 ILE 81 1HG2 ILE 81 6.749 1.073 -1.479 471 2HG2 ILE 81 2HG2 ILE 81 6.944 0.750 0.243 472 3HG2 ILE 81 3HG2 ILE 81 5.340 0.691 -0.489 473 1HD1 ILE 81 1HD1 ILE 81 5.097 -3.319 0.856 474 2HD1 ILE 81 2HD1 ILE 81 4.436 -1.755 1.337 475 3HD1 ILE 81 3HD1 ILE 81 6.181 -2.010 1.329 476 H ASN 82 H ASN 82 7.425 0.791 -3.917 477 HA ASN 82 HA ASN 82 9.266 1.851 -4.750 478 1HB ASN 82 2HB ASN 82 10.667 2.858 -3.099 479 2HB ASN 82 1HB ASN 82 9.063 2.718 -2.389 480 1HD2 ASN 82 1HD2 ASN 82 8.729 1.339 -0.682 481 2HD2 ASN 82 2HD2 ASN 82 10.026 0.584 0.184 482 H GLY 83 H GLY 83 9.313 -1.038 -4.970 483 1HA GLY 83 2HA GLY 83 10.955 -2.305 -6.125 484 2HA GLY 83 1HA GLY 83 12.205 -1.350 -5.340 485 H ILE 84 H ILE 84 11.079 -1.599 -2.686 486 HA ILE 84 HA ILE 84 12.145 -4.219 -2.041 487 HB ILE 84 HB ILE 84 11.083 -2.180 -0.099 488 1HG1 ILE 84 2HG1 ILE 84 12.834 -1.302 -1.781 489 2HG1 ILE 84 1HG1 ILE 84 13.133 -1.048 -0.066 490 1HG2 ILE 84 1HG2 ILE 84 12.882 -4.563 0.092 491 2HG2 ILE 84 2HG2 ILE 84 11.457 -4.160 1.048 492 3HG2 ILE 84 3HG2 ILE 84 12.961 -3.273 1.290 493 1HD1 ILE 84 1HD1 ILE 84 15.021 -2.219 -0.133 494 2HD1 ILE 84 2HD1 ILE 84 14.884 -2.128 -1.888 495 3HD1 ILE 84 3HD1 ILE 84 14.267 -3.538 -1.028 496 HA PRO 85 HA PRO 85 7.870 -5.618 -1.616 497 1HB PRO 85 2HB PRO 85 8.277 -8.176 -2.211 498 2HB PRO 85 1HB PRO 85 8.387 -6.932 -3.462 499 1HG PRO 85 2HG PRO 85 10.564 -8.400 -2.052 500 2HG PRO 85 1HG PRO 85 10.491 -7.838 -3.731 501 1HD PRO 85 2HD PRO 85 11.783 -6.546 -1.583 502 2HD PRO 85 1HD PRO 85 11.455 -5.859 -3.184 503 H THR 86 H THR 86 9.996 -5.456 0.603 504 HA THR 86 HA THR 86 10.181 -6.079 2.777 505 HB THR 86 HB THR 86 8.261 -6.711 3.930 506 HG1 THR 86 1HG THR 86 7.220 -7.938 1.601 507 1HG2 THR 86 1HG2 THR 86 6.592 -5.914 1.670 508 2HG2 THR 86 2HG2 THR 86 7.913 -4.805 2.030 509 3HG2 THR 86 3HG2 THR 86 6.741 -5.214 3.282 510 H GLU 87 H GLU 87 11.114 -7.712 3.956 511 HA GLU 87 HA GLU 87 11.893 -10.049 2.462 512 1HB GLU 87 2HB GLU 87 12.575 -9.081 5.239 513 2HB GLU 87 1HB GLU 87 13.216 -10.567 4.548 514 1HG GLU 87 2HG GLU 87 13.959 -8.988 2.603 515 2HG GLU 87 1HG GLU 87 13.799 -7.736 3.834 516 H ASP 88 H ASP 88 10.459 -11.650 2.286 517 HA ASP 88 HA ASP 88 9.050 -13.343 2.835 518 1HB ASP 88 2HB ASP 88 10.791 -14.001 4.409 519 2HB ASP 88 1HB ASP 88 10.165 -12.878 5.611 520 H SER 89 H SER 89 8.754 -11.611 5.919 521 HA SER 89 HA SER 89 6.459 -10.137 5.335 522 1HB SER 89 2HB SER 89 4.912 -11.739 6.789 523 2HB SER 89 1HB SER 89 5.054 -11.938 5.042 524 HG SER 89 HG SER 89 6.150 -13.739 5.322 525 H THR 90 H THR 90 6.991 -8.574 6.728 526 HA THR 90 HA THR 90 6.927 -9.176 9.569 527 HB THR 90 HB THR 90 9.129 -7.366 9.088 528 HG1 THR 90 1HG THR 90 9.382 -8.609 7.182 529 1HG2 THR 90 1HG2 THR 90 10.299 -9.446 10.249 530 2HG2 THR 90 2HG2 THR 90 8.622 -9.825 10.640 531 3HG2 THR 90 3HG2 THR 90 9.317 -8.283 11.139 532 H PHE 91 H PHE 91 5.820 -7.664 10.629 533 HA PHE 91 HA PHE 91 4.582 -5.520 9.332 534 1HB PHE 91 2HB PHE 91 3.899 -6.685 11.505 535 2HB PHE 91 1HB PHE 91 5.060 -5.633 12.306 536 HD1 PHE 91 1HD PHE 91 1.833 -5.824 10.626 537 HD2 PHE 91 2HD PHE 91 4.669 -3.242 12.468 538 HE1 PHE 91 1HE PHE 91 0.128 -4.056 10.762 539 HE2 PHE 91 2HE PHE 91 2.969 -1.469 12.610 540 HZ PHE 91 HZ PHE 91 0.695 -1.875 11.757 541 H GLU 92 H GLU 92 7.440 -5.606 11.421 542 HA GLU 92 HA GLU 92 7.887 -2.833 11.521 543 1HB GLU 92 2HB GLU 92 10.205 -3.441 12.162 544 2HB GLU 92 1HB GLU 92 8.987 -4.315 13.080 545 1HG GLU 92 2HG GLU 92 9.402 -6.049 11.063 546 2HG GLU 92 1HG GLU 92 10.995 -5.301 11.173 547 H GLU 93 H GLU 93 8.678 -5.249 9.128 548 HA GLU 93 HA GLU 93 10.622 -3.810 7.692 549 1HB GLU 93 2HB GLU 93 9.282 -6.285 7.445 550 2HB GLU 93 1HB GLU 93 9.023 -5.429 5.932 551 1HG GLU 93 2HG GLU 93 10.989 -6.826 5.799 552 2HG GLU 93 1HG GLU 93 11.432 -5.123 5.691 553 H ALA 94 H ALA 94 7.119 -4.144 7.135 554 HA ALA 94 HA ALA 94 6.935 -2.441 4.934 555 1HB ALA 94 1HB ALA 94 5.180 -4.012 6.155 556 2HB ALA 94 2HB ALA 94 4.678 -2.678 5.118 557 3HB ALA 94 3HB ALA 94 4.686 -2.476 6.869 558 H ASN 95 H ASN 95 6.443 -1.703 8.386 559 HA ASN 95 HA ASN 95 5.883 1.018 8.092 560 1HB ASN 95 2HB ASN 95 6.963 -0.654 10.332 561 2HB ASN 95 1HB ASN 95 6.934 1.099 10.499 562 1HD2 ASN 95 1HD2 ASN 95 4.849 -1.605 9.552 563 2HD2 ASN 95 2HD2 ASN 95 3.409 -0.972 10.281 564 H GLN 96 H GLN 96 8.945 -0.698 8.268 565 HA GLN 96 HA GLN 96 10.630 1.509 8.593 566 1HB GLN 96 2HB GLN 96 11.450 -0.723 8.979 567 2HB GLN 96 1HB GLN 96 11.107 -1.185 7.318 568 1HG GLN 96 2HG GLN 96 13.148 -0.597 6.733 569 2HG GLN 96 1HG GLN 96 12.816 1.061 7.232 570 1HE2 GLN 96 1HE2 GLN 96 12.688 1.013 9.863 571 2HE2 GLN 96 2HE2 GLN 96 14.160 0.431 10.571 572 H LEU 97 H LEU 97 9.423 -0.123 5.691 573 HA LEU 97 HA LEU 97 10.873 1.346 3.796 574 1HB LEU 97 2HB LEU 97 8.094 0.238 3.421 575 2HB LEU 97 1HB LEU 97 9.286 0.554 2.175 576 HG LEU 97 HG LEU 97 10.010 -1.389 4.308 577 1HD1 LEU 97 1HD1 LEU 97 8.583 -2.547 2.016 578 2HD1 LEU 97 2HD1 LEU 97 7.571 -1.702 3.187 579 3HD1 LEU 97 3HD1 LEU 97 8.602 -3.034 3.711 580 1HD2 LEU 97 1HD2 LEU 97 11.711 -1.040 2.758 581 2HD2 LEU 97 2HD2 LEU 97 10.590 -0.977 1.399 582 3HD2 LEU 97 3HD2 LEU 97 10.931 -2.515 2.190 583 H LEU 98 H LEU 98 7.697 1.926 5.253 584 HA LEU 98 HA LEU 98 7.145 4.271 3.735 585 1HB LEU 98 2HB LEU 98 5.989 3.469 6.405 586 2HB LEU 98 1HB LEU 98 5.299 4.609 5.266 587 HG LEU 98 HG LEU 98 5.588 1.632 4.858 588 1HD1 LEU 98 1HD1 LEU 98 3.722 1.685 6.118 589 2HD1 LEU 98 2HD1 LEU 98 2.965 2.181 4.605 590 3HD1 LEU 98 3HD1 LEU 98 3.424 3.394 5.801 591 1HD2 LEU 98 1HD2 LEU 98 5.894 2.651 2.737 592 2HD2 LEU 98 2HD2 LEU 98 4.598 3.811 3.032 593 3HD2 LEU 98 3HD2 LEU 98 4.217 2.104 2.799 594 H ARG 99 H ARG 99 8.784 3.625 6.750 595 HA ARG 99 HA ARG 99 8.797 6.275 7.747 596 1HB ARG 99 2HB ARG 99 10.257 3.757 8.350 597 2HB ARG 99 1HB ARG 99 10.978 5.258 8.912 598 1HG ARG 99 2HG ARG 99 8.650 5.747 9.904 599 2HG ARG 99 1HG ARG 99 8.367 4.019 9.680 600 1HD ARG 99 2HD ARG 99 9.819 3.430 11.316 601 2HD ARG 99 1HD ARG 99 10.907 4.778 10.984 602 HE ARG 99 HE ARG 99 8.402 5.563 12.161 603 1HH1 ARG 99 1HH1 ARG 99 11.655 4.478 12.807 604 2HH1 ARG 99 2HH1 ARG 99 11.699 5.154 14.399 605 1HH2 ARG 99 1HH2 ARG 99 8.457 6.455 14.255 606 2HH2 ARG 99 2HH2 ARG 99 9.882 6.276 15.222 607 H ASP 100 H ASP 100 10.853 4.530 5.516 608 HA ASP 100 HA ASP 100 12.929 6.507 5.492 609 1HB ASP 100 2HB ASP 100 12.374 3.957 4.108 610 2HB ASP 100 1HB ASP 100 13.337 5.117 3.200 611 H SER 101 H SER 101 9.837 6.514 4.271 612 HA SER 101 HA SER 101 10.319 7.789 1.755 613 1HB SER 101 2HB SER 101 7.730 7.971 3.279 614 2HB SER 101 1HB SER 101 7.984 7.918 1.536 615 HG SER 101 HG SER 101 7.213 5.924 2.493 616 H SER 102 H SER 102 10.102 8.838 5.038 617 HA SER 102 HA SER 102 9.315 11.511 4.634 618 1HB SER 102 2HB SER 102 10.293 11.926 6.863 619 2HB SER 102 1HB SER 102 9.298 10.469 6.852 620 HG SER 102 HG SER 102 11.245 10.055 7.909 621 H ILE 103 H ILE 103 12.377 9.872 4.317 622 HA ILE 103 HA ILE 103 14.063 12.134 4.313 623 HB ILE 103 HB ILE 103 14.528 9.555 2.820 624 1HG1 ILE 103 2HG1 ILE 103 14.523 10.187 5.712 625 2HG1 ILE 103 1HG1 ILE 103 14.249 8.663 4.882 626 1HG2 ILE 103 1HG2 ILE 103 16.860 10.065 3.055 627 2HG2 ILE 103 2HG2 ILE 103 16.489 11.494 4.020 628 3HG2 ILE 103 3HG2 ILE 103 16.043 11.440 2.315 629 1HD1 ILE 103 1HD1 ILE 103 16.924 9.927 5.402 630 2HD1 ILE 103 2HD1 ILE 103 16.652 8.401 4.561 631 3HD1 ILE 103 3HD1 ILE 103 16.229 8.556 6.267 632 H THR 104 H THR 104 12.793 10.217 1.586 633 HA THR 104 HA THR 104 13.637 12.171 -0.338 634 HB THR 104 HB THR 104 12.616 10.719 -1.988 635 HG1 THR 104 1HG THR 104 11.188 9.203 -1.483 636 1HG2 THR 104 1HG2 THR 104 14.471 9.523 -1.739 637 2HG2 THR 104 2HG2 THR 104 13.480 8.404 -0.804 638 3HG2 THR 104 3HG2 THR 104 14.420 9.649 0.019 639 H SER 105 H SER 105 11.000 11.907 1.719 640 HA SER 105 HA SER 105 9.276 13.367 2.047 641 1HB SER 105 2HB SER 105 9.050 15.310 0.846 642 2HB SER 105 1HB SER 105 10.705 14.890 0.405 643 HG SER 105 HG SER 105 9.779 13.846 -1.473 644 H LYS 106 H LYS 106 9.562 11.243 -0.598 645 HA LYS 106 HA LYS 106 6.780 10.551 -0.375 646 1HB LYS 106 2HB LYS 106 6.204 10.853 -2.706 647 2HB LYS 106 1HB LYS 106 6.715 12.387 -2.020 648 1HG LYS 106 2HG LYS 106 8.644 12.456 -3.257 649 2HG LYS 106 1HG LYS 106 8.721 10.702 -3.431 650 1HD LYS 106 2HD LYS 106 8.139 11.885 -5.539 651 2HD LYS 106 1HD LYS 106 6.915 10.724 -5.020 652 1HE LYS 106 2HE LYS 106 5.391 12.350 -4.521 653 2HE LYS 106 1HE LYS 106 6.627 13.535 -4.102 654 1HZ LYS 106 1HZ LYS 106 6.033 14.408 -6.071 655 2HZ LYS 106 2HZ LYS 106 5.412 12.954 -6.671 656 3HZ LYS 106 3HZ LYS 106 7.078 13.239 -6.709 657 H VAL 107 H VAL 107 6.225 8.599 -1.598 658 HA VAL 107 HA VAL 107 8.513 7.032 -2.521 659 HB VAL 107 HB VAL 107 8.244 6.597 -0.082 660 1HG1 VAL 107 1HG1 VAL 107 5.603 5.405 -0.908 661 2HG1 VAL 107 2HG1 VAL 107 5.827 6.851 0.077 662 3HG1 VAL 107 3HG1 VAL 107 6.340 5.278 0.691 663 1HG2 VAL 107 1HG2 VAL 107 7.650 4.242 -1.868 664 2HG2 VAL 107 2HG2 VAL 107 8.375 4.175 -0.262 665 3HG2 VAL 107 3HG2 VAL 107 9.244 4.942 -1.591 666 H THR 108 H THR 108 7.937 5.137 -3.719 667 HA THR 108 HA THR 108 5.211 5.267 -4.826 668 HB THR 108 HB THR 108 6.487 3.884 -6.715 669 HG1 THR 108 1HG THR 108 8.524 5.566 -5.695 670 1HG2 THR 108 1HG2 THR 108 7.250 6.245 -7.632 671 2HG2 THR 108 2HG2 THR 108 6.205 6.801 -6.326 672 3HG2 THR 108 3HG2 THR 108 5.558 5.753 -7.588 673 H LEU 109 H LEU 109 3.918 3.610 -4.340 674 HA LEU 109 HA LEU 109 5.173 1.066 -3.547 675 1HB LEU 109 2HB LEU 109 2.418 1.331 -2.697 676 2HB LEU 109 1HB LEU 109 3.842 0.932 -1.762 677 HG LEU 109 HG LEU 109 3.644 3.785 -2.424 678 1HD1 LEU 109 1HD1 LEU 109 1.546 2.484 -0.699 679 2HD1 LEU 109 2HD1 LEU 109 1.281 3.384 -2.193 680 3HD1 LEU 109 3HD1 LEU 109 1.878 4.216 -0.757 681 1HD2 LEU 109 1HD2 LEU 109 4.232 4.008 -0.080 682 2HD2 LEU 109 2HD2 LEU 109 5.279 2.825 -0.863 683 3HD2 LEU 109 3HD2 LEU 109 3.958 2.284 0.171 684 H GLU 110 H GLU 110 4.376 -0.852 -4.312 685 HA GLU 110 HA GLU 110 2.412 -0.648 -6.501 686 1HB GLU 110 2HB GLU 110 4.623 -2.688 -6.204 687 2HB GLU 110 1HB GLU 110 3.517 -2.536 -7.562 688 1HG GLU 110 2HG GLU 110 4.612 -0.046 -7.460 689 2HG GLU 110 1HG GLU 110 5.961 -1.060 -6.946 690 H ILE 111 H ILE 111 0.513 -1.283 -5.630 691 HA ILE 111 HA ILE 111 0.506 -3.730 -4.012 692 HB ILE 111 HB ILE 111 -1.514 -2.915 -2.972 693 1HG1 ILE 111 2HG1 ILE 111 -2.011 -1.442 -5.120 694 2HG1 ILE 111 1HG1 ILE 111 -2.681 -1.034 -3.544 695 1HG2 ILE 111 1HG2 ILE 111 -0.548 -0.995 -1.724 696 2HG2 ILE 111 2HG2 ILE 111 0.773 -0.971 -2.892 697 3HG2 ILE 111 3HG2 ILE 111 0.533 -2.383 -1.863 698 1HD1 ILE 111 1HD1 ILE 111 -1.793 0.913 -4.727 699 2HD1 ILE 111 2HD1 ILE 111 -0.193 0.173 -4.733 700 3HD1 ILE 111 3HD1 ILE 111 -0.951 0.619 -3.208 701 H GLU 112 H GLU 112 -1.448 -5.040 -4.137 702 HA GLU 112 HA GLU 112 -2.389 -5.246 -6.894 703 1HB GLU 112 2HB GLU 112 -1.685 -7.135 -4.921 704 2HB GLU 112 1HB GLU 112 -3.422 -7.295 -5.140 705 1HG GLU 112 2HG GLU 112 -3.135 -7.676 -7.499 706 2HG GLU 112 1HG GLU 112 -1.403 -7.375 -7.370 707 H PHE 113 H PHE 113 -4.438 -4.830 -7.495 708 HA PHE 113 HA PHE 113 -6.426 -4.289 -5.385 709 1HB PHE 113 2HB PHE 113 -7.175 -2.312 -6.574 710 2HB PHE 113 1HB PHE 113 -5.439 -2.173 -6.285 711 HD1 PHE 113 1HD PHE 113 -7.990 -2.964 -8.819 712 HD2 PHE 113 2HD PHE 113 -3.906 -2.033 -8.079 713 HE1 PHE 113 1HE PHE 113 -7.613 -2.705 -11.230 714 HE2 PHE 113 2HE PHE 113 -3.528 -1.762 -10.496 715 HZ PHE 113 HZ PHE 113 -5.393 -2.121 -12.072 716 H ASP 114 H ASP 114 -8.677 -4.230 -6.258 717 HA ASP 114 HA ASP 114 -8.986 -6.111 -8.507 718 1HB ASP 114 2HB ASP 114 -10.758 -5.850 -6.065 719 2HB ASP 114 1HB ASP 114 -10.991 -6.982 -7.395 720 H VAL 115 H VAL 115 -9.411 -4.689 -10.137 721 HA VAL 115 HA VAL 115 -11.419 -2.604 -9.749 722 HB VAL 115 HB VAL 115 -9.328 -2.023 -10.917 723 1HG1 VAL 115 1HG1 VAL 115 -10.295 -3.954 -13.025 724 2HG1 VAL 115 2HG1 VAL 115 -8.878 -4.158 -11.994 725 3HG1 VAL 115 3HG1 VAL 115 -8.921 -2.861 -13.189 726 1HG2 VAL 115 1HG2 VAL 115 -11.517 -1.863 -12.953 727 2HG2 VAL 115 2HG2 VAL 115 -10.311 -0.654 -12.512 728 3HG2 VAL 115 3HG2 VAL 115 -11.650 -1.003 -11.418 729 H ALA 116 H ALA 116 -13.144 -2.317 -11.328 730 HA ALA 116 HA ALA 116 -14.015 -4.840 -12.575 731 1HB ALA 116 1HB ALA 116 -15.284 -4.552 -10.538 732 2HB ALA 116 2HB ALA 116 -16.333 -4.292 -11.933 733 3HB ALA 116 3HB ALA 116 -15.731 -2.913 -11.014 734 H GLU 117 H GLU 117 -12.656 -3.053 -14.065 735 HA GLU 117 HA GLU 117 -14.481 -2.427 -16.132 736 1HB GLU 117 2HB GLU 117 -15.060 -0.553 -14.670 737 2HB GLU 117 1HB GLU 117 -13.371 -0.075 -14.588 738 1HG GLU 117 2HG GLU 117 -13.822 1.294 -16.273 739 2HG GLU 117 1HG GLU 117 -13.868 -0.143 -17.291 740 H SER 118 H SER 118 -12.700 -3.853 -16.894 741 HA SER 118 HA SER 118 -10.045 -3.006 -17.137 742 1HB SER 118 2HB SER 118 -11.521 -4.769 -19.103 743 2HB SER 118 1HB SER 118 -9.787 -4.744 -18.783 744 HG SER 118 HG SER 118 -10.378 -5.377 -16.583 Start of MODEL 4 1 1H GLN 18 1HT GLN 18 -17.442 0.397 -12.146 2 2H GLN 18 2HT GLN 18 -16.936 1.571 -11.001 3 3H GLN 18 3HT GLN 18 -16.332 -0.032 -10.912 4 HA GLN 18 HA GLN 18 -15.916 1.694 -13.246 5 1HB GLN 18 2HB GLN 18 -14.530 1.589 -10.601 6 2HB GLN 18 1HB GLN 18 -13.554 1.825 -12.044 7 1HG GLN 18 2HG GLN 18 -14.874 3.796 -12.618 8 2HG GLN 18 1HG GLN 18 -15.855 3.558 -11.173 9 1HE2 GLN 18 1HE2 GLN 18 -14.688 3.587 -9.101 10 2HE2 GLN 18 2HE2 GLN 18 -13.349 4.676 -8.928 11 H VAL 19 H VAL 19 -14.584 0.772 -14.757 12 HA VAL 19 HA VAL 19 -14.319 -2.063 -14.717 13 HB VAL 19 HB VAL 19 -12.991 -0.131 -16.622 14 1HG1 VAL 19 1HG1 VAL 19 -13.902 -2.813 -17.467 15 2HG1 VAL 19 2HG1 VAL 19 -12.498 -2.755 -16.401 16 3HG1 VAL 19 3HG1 VAL 19 -12.471 -1.896 -17.942 17 1HG2 VAL 19 1HG2 VAL 19 -15.670 -0.260 -16.207 18 2HG2 VAL 19 2HG2 VAL 19 -15.459 -1.484 -17.458 19 3HG2 VAL 19 3HG2 VAL 19 -14.917 0.169 -17.743 20 H VAL 20 H VAL 20 -13.095 -1.873 -12.567 21 HA VAL 20 HA VAL 20 -10.387 -1.074 -12.557 22 HB VAL 20 HB VAL 20 -10.422 -2.794 -10.524 23 1HG1 VAL 20 1HG1 VAL 20 -10.506 -0.962 -9.224 24 2HG1 VAL 20 2HG1 VAL 20 -12.016 -0.399 -9.939 25 3HG1 VAL 20 3HG1 VAL 20 -10.488 -0.117 -10.772 26 1HG2 VAL 20 1HG2 VAL 20 -13.282 -1.992 -10.437 27 2HG2 VAL 20 2HG2 VAL 20 -12.461 -3.334 -9.640 28 3HG2 VAL 20 3HG2 VAL 20 -12.828 -3.423 -11.363 29 H HIS 21 H HIS 21 -8.797 -2.937 -11.631 30 HA HIS 21 HA HIS 21 -9.002 -5.407 -13.123 31 1HB HIS 21 2HB HIS 21 -7.820 -3.325 -14.435 32 2HB HIS 21 1HB HIS 21 -6.431 -4.070 -13.650 33 HD1 HIS 21 1HD HIS 21 -5.479 -6.100 -14.750 34 HD2 HIS 21 2HD HIS 21 -9.280 -5.176 -16.154 35 HE1 HIS 21 1HE HIS 21 -5.887 -7.671 -16.671 36 HE2 HIS 21 2HE HIS 21 -8.233 -7.163 -17.437 37 H THR 22 H THR 22 -8.336 -6.943 -11.761 38 HA THR 22 HA THR 22 -7.005 -6.386 -9.342 39 HB THR 22 HB THR 22 -8.461 -8.424 -9.834 40 HG1 THR 22 1HG THR 22 -7.506 -9.474 -8.222 41 1HG2 THR 22 1HG2 THR 22 -7.579 -10.356 -10.760 42 2HG2 THR 22 2HG2 THR 22 -5.928 -9.741 -10.703 43 3HG2 THR 22 3HG2 THR 22 -7.073 -9.088 -11.875 44 H GLU 23 H GLU 23 -4.993 -5.720 -9.162 45 HA GLU 23 HA GLU 23 -2.798 -7.212 -10.060 46 1HB GLU 23 2HB GLU 23 -2.061 -5.339 -11.783 47 2HB GLU 23 1HB GLU 23 -3.041 -6.712 -12.279 48 1HG GLU 23 2HG GLU 23 -4.905 -5.454 -12.594 49 2HG GLU 23 1HG GLU 23 -4.459 -4.281 -11.356 50 H THR 24 H THR 24 -0.728 -5.742 -10.157 51 HA THR 24 HA THR 24 -0.752 -4.213 -7.696 52 HB THR 24 HB THR 24 1.751 -4.087 -8.157 53 HG1 THR 24 1HG THR 24 2.249 -4.624 -10.118 54 1HG2 THR 24 1HG2 THR 24 0.578 -6.852 -8.008 55 2HG2 THR 24 2HG2 THR 24 0.831 -5.770 -6.640 56 3HG2 THR 24 3HG2 THR 24 2.213 -6.380 -7.550 57 H THR 25 H THR 25 -0.802 -2.059 -7.579 58 HA THR 25 HA THR 25 -0.393 -0.548 -10.074 59 HB THR 25 HB THR 25 -2.697 -0.432 -9.257 60 HG1 THR 25 1HG THR 25 -2.687 1.548 -9.887 61 1HG2 THR 25 1HG2 THR 25 -1.771 -0.556 -6.749 62 2HG2 THR 25 2HG2 THR 25 -3.364 0.065 -7.180 63 3HG2 THR 25 3HG2 THR 25 -2.028 1.181 -6.900 64 H GLU 26 H GLU 26 0.895 1.226 -10.085 65 HA GLU 26 HA GLU 26 2.753 1.496 -7.885 66 1HB GLU 26 2HB GLU 26 2.668 2.267 -10.710 67 2HB GLU 26 1HB GLU 26 3.336 3.522 -9.677 68 1HG GLU 26 2HG GLU 26 5.269 2.451 -9.905 69 2HG GLU 26 1HG GLU 26 4.608 1.276 -8.771 70 H VAL 27 H VAL 27 1.776 2.448 -6.186 71 HA VAL 27 HA VAL 27 0.251 4.900 -6.635 72 HB VAL 27 HB VAL 27 0.021 4.347 -3.953 73 1HG1 VAL 27 1HG1 VAL 27 -1.684 4.874 -5.829 74 2HG1 VAL 27 2HG1 VAL 27 -2.218 3.958 -4.419 75 3HG1 VAL 27 3HG1 VAL 27 -1.860 3.122 -5.930 76 1HG2 VAL 27 1HG2 VAL 27 -0.068 1.705 -5.402 77 2HG2 VAL 27 2HG2 VAL 27 -0.463 1.992 -3.708 78 3HG2 VAL 27 3HG2 VAL 27 1.195 2.194 -4.275 79 H VAL 28 H VAL 28 1.592 6.594 -6.705 80 HA VAL 28 HA VAL 28 3.904 6.765 -4.985 81 HB VAL 28 HB VAL 28 3.970 7.628 -7.302 82 1HG1 VAL 28 1HG1 VAL 28 2.761 9.489 -8.030 83 2HG1 VAL 28 2HG1 VAL 28 2.305 9.951 -6.390 84 3HG1 VAL 28 3HG1 VAL 28 1.575 8.532 -7.141 85 1HG2 VAL 28 1HG2 VAL 28 4.906 9.930 -6.662 86 2HG2 VAL 28 2HG2 VAL 28 5.641 8.504 -5.929 87 3HG2 VAL 28 3HG2 VAL 28 4.500 9.483 -5.006 88 H LEU 29 H LEU 29 3.742 7.394 -2.933 89 HA LEU 29 HA LEU 29 1.642 9.328 -2.231 90 1HB LEU 29 2HB LEU 29 2.787 6.987 -0.781 91 2HB LEU 29 1HB LEU 29 2.170 8.338 0.149 92 HG LEU 29 HG LEU 29 0.516 6.524 -0.130 93 1HD1 LEU 29 1HD1 LEU 29 -1.329 7.923 -0.589 94 2HD1 LEU 29 2HD1 LEU 29 -0.367 8.980 -1.622 95 3HD1 LEU 29 3HD1 LEU 29 -0.093 8.962 0.119 96 1HD2 LEU 29 1HD2 LEU 29 -0.406 5.955 -2.223 97 2HD2 LEU 29 2HD2 LEU 29 1.343 5.926 -2.450 98 3HD2 LEU 29 3HD2 LEU 29 0.400 7.297 -3.032 99 H THR 30 H THR 30 2.130 11.023 -0.832 100 HA THR 30 HA THR 30 4.997 11.655 -0.653 101 HB THR 30 HB THR 30 2.606 13.514 -0.612 102 HG1 THR 30 1HG THR 30 4.415 12.749 -2.629 103 1HG2 THR 30 1HG2 THR 30 4.894 14.167 0.532 104 2HG2 THR 30 2HG2 THR 30 3.962 15.317 -0.427 105 3HG2 THR 30 3HG2 THR 30 5.348 14.491 -1.139 106 H ALA 31 H ALA 31 5.879 12.384 1.272 107 HA ALA 31 HA ALA 31 4.485 11.546 3.664 108 1HB ALA 31 1HB ALA 31 7.070 11.384 2.962 109 2HB ALA 31 2HB ALA 31 6.519 11.394 4.638 110 3HB ALA 31 3HB ALA 31 7.108 12.880 3.895 111 H ASP 32 H ASP 32 3.043 12.904 4.512 112 HA ASP 32 HA ASP 32 3.098 15.719 4.159 113 1HB ASP 32 2HB ASP 32 1.010 14.474 4.541 114 2HB ASP 32 1HB ASP 32 1.553 14.056 6.163 115 HA PRO 33 HA PRO 33 5.802 16.717 7.538 116 1HB PRO 33 2HB PRO 33 5.614 19.378 7.456 117 2HB PRO 33 1HB PRO 33 6.367 18.472 6.137 118 1HG PRO 33 2HG PRO 33 3.644 19.686 6.292 119 2HG PRO 33 1HG PRO 33 4.761 19.607 4.920 120 1HD PRO 33 2HD PRO 33 2.600 17.907 5.342 121 2HD PRO 33 1HD PRO 33 3.974 17.575 4.270 122 H VAL 34 H VAL 34 3.168 15.890 8.359 123 HA VAL 34 HA VAL 34 2.927 17.513 10.776 124 HB VAL 34 HB VAL 34 0.526 16.734 9.111 125 1HG1 VAL 34 1HG1 VAL 34 -0.761 18.014 10.739 126 2HG1 VAL 34 2HG1 VAL 34 0.710 18.350 11.653 127 3HG1 VAL 34 3HG1 VAL 34 0.109 16.696 11.526 128 1HG2 VAL 34 1HG2 VAL 34 2.163 19.181 9.222 129 2HG2 VAL 34 2HG2 VAL 34 0.418 19.425 9.281 130 3HG2 VAL 34 3HG2 VAL 34 1.142 18.554 7.928 131 H THR 35 H THR 35 1.796 14.626 9.040 132 HA THR 35 HA THR 35 1.985 13.137 11.574 133 HB THR 35 HB THR 35 -0.355 13.375 11.148 134 HG1 THR 35 1HG THR 35 -0.207 11.344 11.745 135 1HG2 THR 35 1HG2 THR 35 -1.430 12.665 9.085 136 2HG2 THR 35 2HG2 THR 35 0.149 12.363 8.360 137 3HG2 THR 35 3HG2 THR 35 -0.318 14.005 8.804 138 H GLY 36 H GLY 36 2.047 12.947 8.032 139 1HA GLY 36 2HA GLY 36 4.196 11.808 7.276 140 2HA GLY 36 1HA GLY 36 3.633 10.470 8.266 141 H PHE 37 H PHE 37 2.701 8.894 7.164 142 HA PHE 37 HA PHE 37 1.436 9.543 4.588 143 1HB PHE 37 2HB PHE 37 2.850 7.097 5.604 144 2HB PHE 37 1HB PHE 37 1.703 6.971 4.275 145 HD1 PHE 37 1HD PHE 37 2.395 7.372 2.102 146 HD2 PHE 37 2HD PHE 37 4.754 8.809 5.339 147 HE1 PHE 37 1HE PHE 37 4.157 8.038 0.519 148 HE2 PHE 37 2HE PHE 37 6.517 9.480 3.760 149 HZ PHE 37 HZ PHE 37 6.221 9.095 1.344 150 H GLY 38 H GLY 38 0.907 8.189 7.736 151 1HA GLY 38 2HA GLY 38 -1.004 7.491 8.797 152 2HA GLY 38 1HA GLY 38 -1.890 8.348 7.546 153 H ILE 39 H ILE 39 0.286 5.573 7.209 154 HA ILE 39 HA ILE 39 -1.951 3.791 6.704 155 HB ILE 39 HB ILE 39 -1.541 4.867 4.524 156 1HG1 ILE 39 2HG1 ILE 39 -0.591 2.008 4.407 157 2HG1 ILE 39 1HG1 ILE 39 -2.254 2.428 4.822 158 1HG2 ILE 39 1HG2 ILE 39 1.133 4.687 5.228 159 2HG2 ILE 39 2HG2 ILE 39 0.484 5.208 3.673 160 3HG2 ILE 39 3HG2 ILE 39 0.948 3.523 3.916 161 1HD1 ILE 39 1HD1 ILE 39 -2.767 3.045 2.703 162 2HD1 ILE 39 2HD1 ILE 39 -1.497 1.874 2.346 163 3HD1 ILE 39 3HD1 ILE 39 -1.131 3.600 2.347 164 H GLN 40 H GLN 40 -1.514 1.847 7.523 165 HA GLN 40 HA GLN 40 1.309 1.050 7.800 166 1HB GLN 40 2HB GLN 40 0.458 -0.218 9.878 167 2HB GLN 40 1HB GLN 40 0.703 1.519 10.003 168 1HG GLN 40 2HG GLN 40 -1.988 0.544 9.236 169 2HG GLN 40 1HG GLN 40 -1.473 0.339 10.910 170 1HE2 GLN 40 1HE2 GLN 40 -1.690 1.998 12.249 171 2HE2 GLN 40 2HE2 GLN 40 -2.050 3.628 11.783 172 H LEU 41 H LEU 41 1.716 -1.234 7.841 173 HA LEU 41 HA LEU 41 -0.223 -2.717 6.211 174 1HB LEU 41 2HB LEU 41 2.743 -3.048 6.616 175 2HB LEU 41 1HB LEU 41 1.758 -4.229 5.775 176 HG LEU 41 HG LEU 41 1.125 -1.871 4.482 177 1HD1 LEU 41 1HD1 LEU 41 2.727 -0.393 4.919 178 2HD1 LEU 41 2HD1 LEU 41 3.790 -1.426 3.965 179 3HD1 LEU 41 3HD1 LEU 41 3.739 -1.593 5.720 180 1HD2 LEU 41 1HD2 LEU 41 2.812 -4.242 3.931 181 2HD2 LEU 41 2HD2 LEU 41 2.950 -2.874 2.828 182 3HD2 LEU 41 3HD2 LEU 41 1.385 -3.643 3.087 183 H GLN 42 H GLN 42 -0.384 -5.065 6.608 184 HA GLN 42 HA GLN 42 0.435 -6.213 9.060 185 1HB GLN 42 2HB GLN 42 -1.559 -4.491 9.539 186 2HB GLN 42 1HB GLN 42 -2.519 -5.892 9.080 187 1HG GLN 42 2HG GLN 42 -0.640 -6.901 10.850 188 2HG GLN 42 1HG GLN 42 -1.097 -5.343 11.534 189 1HE2 GLN 42 1HE2 GLN 42 -2.896 -7.818 9.738 190 2HE2 GLN 42 2HE2 GLN 42 -4.130 -8.032 10.935 191 H GLY 43 H GLY 43 -0.781 -8.331 9.464 192 1HA GLY 43 2HA GLY 43 -1.662 -10.321 8.694 193 2HA GLY 43 1HA GLY 43 -2.233 -9.465 7.270 194 H SER 44 H SER 44 1.111 -9.551 8.345 195 HA SER 44 HA SER 44 1.808 -10.878 5.825 196 1HB SER 44 2HB SER 44 2.810 -8.605 6.601 197 2HB SER 44 1HB SER 44 3.805 -9.593 7.668 198 HG SER 44 HG SER 44 4.338 -10.796 5.668 199 H VAL 45 H VAL 45 0.963 -12.864 7.026 200 HA VAL 45 HA VAL 45 1.401 -14.930 7.848 201 HB VAL 45 HB VAL 45 4.224 -13.939 7.618 202 1HG1 VAL 45 1HG1 VAL 45 4.596 -16.566 7.588 203 2HG1 VAL 45 2HG1 VAL 45 3.168 -16.527 8.624 204 3HG1 VAL 45 3HG1 VAL 45 4.621 -15.642 9.091 205 1HG2 VAL 45 1HG2 VAL 45 4.313 -14.975 5.549 206 2HG2 VAL 45 2HG2 VAL 45 2.684 -14.302 5.582 207 3HG2 VAL 45 3HG2 VAL 45 2.934 -16.018 5.903 208 H PHE 46 H PHE 46 1.845 -12.161 9.584 209 HA PHE 46 HA PHE 46 2.030 -13.668 12.085 210 1HB PHE 46 2HB PHE 46 4.268 -12.626 11.457 211 2HB PHE 46 1HB PHE 46 3.501 -11.061 11.698 212 HD1 PHE 46 1HD PHE 46 3.856 -14.314 13.495 213 HD2 PHE 46 2HD PHE 46 3.787 -10.065 13.738 214 HE1 PHE 46 1HE PHE 46 4.349 -14.449 15.902 215 HE2 PHE 46 2HE PHE 46 4.280 -10.192 16.146 216 HZ PHE 46 HZ PHE 46 4.563 -12.385 17.230 217 H ALA 47 H ALA 47 -0.021 -13.370 12.762 218 HA ALA 47 HA ALA 47 -0.801 -10.903 13.863 219 1HB ALA 47 1HB ALA 47 -1.440 -9.905 11.935 220 2HB ALA 47 2HB ALA 47 -2.912 -10.838 12.213 221 3HB ALA 47 3HB ALA 47 -1.685 -11.436 11.095 222 H THR 48 H THR 48 -2.323 -11.244 15.381 223 HA THR 48 HA THR 48 -3.809 -12.329 16.708 224 HB THR 48 HB THR 48 -4.647 -13.558 14.081 225 HG1 THR 48 1HG THR 48 -5.567 -11.718 13.794 226 1HG2 THR 48 1HG2 THR 48 -6.604 -13.304 16.259 227 2HG2 THR 48 2HG2 THR 48 -5.407 -14.586 16.440 228 3HG2 THR 48 3HG2 THR 48 -6.438 -14.538 15.012 229 H GLU 49 H GLU 49 -3.963 -15.180 14.786 230 HA GLU 49 HA GLU 49 -2.425 -16.601 16.836 231 1HB GLU 49 2HB GLU 49 -4.892 -17.138 15.557 232 2HB GLU 49 1HB GLU 49 -3.761 -18.366 15.005 233 1HG GLU 49 2HG GLU 49 -4.789 -19.268 16.904 234 2HG GLU 49 1HG GLU 49 -3.193 -18.746 17.441 235 H THR 50 H THR 50 -3.066 -17.371 13.425 236 HA THR 50 HA THR 50 -0.374 -17.057 12.617 237 HB THR 50 HB THR 50 -1.384 -19.869 12.951 238 HG1 THR 50 1HG THR 50 0.087 -20.055 14.539 239 1HG2 THR 50 1HG2 THR 50 0.146 -20.589 11.536 240 2HG2 THR 50 2HG2 THR 50 1.406 -19.696 12.388 241 3HG2 THR 50 3HG2 THR 50 0.486 -18.913 11.104 242 H LEU 51 H LEU 51 -0.631 -16.306 10.628 243 HA LEU 51 HA LEU 51 -2.606 -17.626 8.885 244 1HB LEU 51 2HB LEU 51 -3.215 -15.558 7.918 245 2HB LEU 51 1HB LEU 51 -3.255 -15.317 9.654 246 HG LEU 51 HG LEU 51 -0.794 -14.434 9.250 247 1HD1 LEU 51 1HD1 LEU 51 -0.395 -14.696 7.011 248 2HD1 LEU 51 2HD1 LEU 51 -1.032 -13.052 7.033 249 3HD1 LEU 51 3HD1 LEU 51 -2.074 -14.396 6.564 250 1HD2 LEU 51 1HD2 LEU 51 -1.647 -12.223 9.270 251 2HD2 LEU 51 2HD2 LEU 51 -2.804 -13.219 10.152 252 3HD2 LEU 51 3HD2 LEU 51 -3.150 -12.722 8.495 253 H SER 52 H SER 52 -2.128 -17.002 6.493 254 HA SER 52 HA SER 52 0.763 -16.944 6.002 255 1HB SER 52 2HB SER 52 -1.046 -18.849 4.529 256 2HB SER 52 1HB SER 52 0.717 -18.819 4.560 257 HG SER 52 HG SER 52 0.230 -20.385 5.971 258 H SER 53 H SER 53 0.949 -15.072 4.953 259 HA SER 53 HA SER 53 0.195 -14.747 2.309 260 1HB SER 53 2HB SER 53 -2.038 -14.384 3.885 261 2HB SER 53 1HB SER 53 -1.461 -12.735 3.655 262 HG SER 53 HG SER 53 -2.911 -13.466 1.998 263 HA PRO 54 HA PRO 54 3.368 -11.690 2.698 264 1HB PRO 54 2HB PRO 54 1.936 -10.284 0.503 265 2HB PRO 54 1HB PRO 54 3.625 -10.795 0.599 266 1HG PRO 54 2HG PRO 54 1.885 -12.120 -0.923 267 2HG PRO 54 1HG PRO 54 3.139 -12.978 -0.007 268 1HD PRO 54 2HD PRO 54 0.219 -12.708 0.567 269 2HD PRO 54 1HD PRO 54 1.298 -14.095 0.821 270 HA PRO 55 HA PRO 55 1.794 -8.221 4.925 271 1HB PRO 55 2HB PRO 55 3.353 -6.146 4.107 272 2HB PRO 55 1HB PRO 55 3.931 -7.425 5.180 273 1HG PRO 55 2HG PRO 55 4.319 -7.106 2.231 274 2HG PRO 55 1HG PRO 55 5.486 -7.611 3.467 275 1HD PRO 55 2HD PRO 55 4.232 -9.374 1.842 276 2HD PRO 55 1HD PRO 55 4.696 -9.776 3.508 277 H LEU 56 H LEU 56 0.046 -6.961 4.722 278 HA LEU 56 HA LEU 56 -0.383 -5.490 2.226 279 1HB LEU 56 2HB LEU 56 -2.767 -6.215 2.219 280 2HB LEU 56 1HB LEU 56 -1.622 -7.493 1.860 281 HG LEU 56 HG LEU 56 -2.615 -7.149 4.663 282 1HD1 LEU 56 1HD1 LEU 56 -4.462 -7.294 2.744 283 2HD1 LEU 56 2HD1 LEU 56 -4.635 -8.106 4.299 284 3HD1 LEU 56 3HD1 LEU 56 -4.080 -9.009 2.890 285 1HD2 LEU 56 1HD2 LEU 56 -2.354 -9.668 4.545 286 2HD2 LEU 56 2HD2 LEU 56 -0.870 -8.720 4.452 287 3HD2 LEU 56 3HD2 LEU 56 -1.565 -9.416 2.988 288 H ILE 57 H ILE 57 -1.579 -3.612 2.427 289 HA ILE 57 HA ILE 57 -1.505 -2.273 4.885 290 HB ILE 57 HB ILE 57 -3.184 -1.657 2.449 291 1HG1 ILE 57 2HG1 ILE 57 -0.805 -0.035 3.067 292 2HG1 ILE 57 1HG1 ILE 57 -0.458 -1.706 2.632 293 1HG2 ILE 57 1HG2 ILE 57 -2.861 -0.299 5.042 294 2HG2 ILE 57 2HG2 ILE 57 -4.182 -0.224 3.876 295 3HG2 ILE 57 3HG2 ILE 57 -2.726 0.734 3.620 296 1HD1 ILE 57 1HD1 ILE 57 -0.461 -0.024 0.755 297 2HD1 ILE 57 2HD1 ILE 57 -2.210 0.062 0.959 298 3HD1 ILE 57 3HD1 ILE 57 -1.448 -1.465 0.515 299 H SER 58 H SER 58 -3.100 -1.762 6.403 300 HA SER 58 HA SER 58 -5.740 -2.959 6.078 301 1HB SER 58 2HB SER 58 -3.681 -3.908 8.000 302 2HB SER 58 1HB SER 58 -5.342 -3.803 8.584 303 HG SER 58 HG SER 58 -4.880 -5.845 7.654 304 H TYR 59 H TYR 59 -4.329 -0.221 6.556 305 HA TYR 59 HA TYR 59 -6.446 0.825 8.176 306 1HB TYR 59 2HB TYR 59 -4.575 -0.078 9.762 307 2HB TYR 59 1HB TYR 59 -3.728 1.390 9.290 308 HD1 TYR 59 1HD TYR 59 -4.979 3.620 9.612 309 HD2 TYR 59 2HD TYR 59 -6.148 -0.016 11.487 310 HE1 TYR 59 1HE TYR 59 -6.240 4.898 11.292 311 HE2 TYR 59 2HE TYR 59 -7.415 1.252 13.171 312 HH TYR 59 HH TYR 59 -7.161 3.814 14.120 313 H ILE 60 H ILE 60 -6.635 3.059 8.108 314 HA ILE 60 HA ILE 60 -4.674 4.646 6.689 315 HB ILE 60 HB ILE 60 -7.368 5.031 5.554 316 1HG1 ILE 60 2HG1 ILE 60 -5.722 2.576 4.890 317 2HG1 ILE 60 1HG1 ILE 60 -7.353 2.599 5.550 318 1HG2 ILE 60 1HG2 ILE 60 -5.371 6.308 4.885 319 2HG2 ILE 60 2HG2 ILE 60 -6.094 5.435 3.534 320 3HG2 ILE 60 3HG2 ILE 60 -4.633 4.816 4.301 321 1HD1 ILE 60 1HD1 ILE 60 -6.680 3.778 2.875 322 2HD1 ILE 60 2HD1 ILE 60 -8.267 3.364 3.523 323 3HD1 ILE 60 3HD1 ILE 60 -7.129 2.087 3.092 324 H GLU 61 H GLU 61 -5.041 6.938 6.936 325 HA GLU 61 HA GLU 61 -6.618 7.501 9.327 326 1HB GLU 61 2HB GLU 61 -4.244 8.683 8.034 327 2HB GLU 61 1HB GLU 61 -5.336 9.830 8.798 328 1HG GLU 61 2HG GLU 61 -4.141 7.429 10.162 329 2HG GLU 61 1HG GLU 61 -3.514 9.074 10.274 330 H ALA 62 H ALA 62 -7.939 9.367 9.498 331 HA ALA 62 HA ALA 62 -9.492 9.829 7.092 332 1HB ALA 62 1HB ALA 62 -10.697 9.322 9.123 333 2HB ALA 62 2HB ALA 62 -11.063 10.971 8.618 334 3HB ALA 62 3HB ALA 62 -9.940 10.684 9.948 335 H ASP 63 H ASP 63 -6.955 10.899 6.954 336 HA ASP 63 HA ASP 63 -7.310 13.412 5.963 337 1HB ASP 63 2HB ASP 63 -7.312 13.484 8.824 338 2HB ASP 63 1HB ASP 63 -5.861 14.296 8.246 339 H SER 64 H SER 64 -5.757 10.971 5.646 340 HA SER 64 HA SER 64 -3.049 12.131 5.609 341 1HB SER 64 2HB SER 64 -3.930 9.288 6.115 342 2HB SER 64 1HB SER 64 -2.278 9.690 5.647 343 HG SER 64 HG SER 64 -1.982 10.741 7.528 344 HA PRO 65 HA PRO 65 -2.970 11.963 1.208 345 1HB PRO 65 2HB PRO 65 -0.434 10.730 0.975 346 2HB PRO 65 1HB PRO 65 -0.780 12.459 0.948 347 1HG PRO 65 2HG PRO 65 0.158 10.748 3.190 348 2HG PRO 65 1HG PRO 65 0.503 12.453 2.853 349 1HD PRO 65 2HD PRO 65 -1.186 11.733 4.802 350 2HD PRO 65 1HD PRO 65 -1.494 13.170 3.803 351 H ALA 66 H ALA 66 -2.245 9.105 3.104 352 HA ALA 66 HA ALA 66 -2.324 7.223 0.994 353 1HB ALA 66 1HB ALA 66 -2.737 5.569 2.822 354 2HB ALA 66 2HB ALA 66 -2.815 6.922 3.951 355 3HB ALA 66 3HB ALA 66 -1.324 6.596 3.068 356 H GLU 67 H GLU 67 -4.801 8.348 3.279 357 HA GLU 67 HA GLU 67 -6.861 6.742 2.085 358 1HB GLU 67 2HB GLU 67 -7.098 7.179 4.405 359 2HB GLU 67 1HB GLU 67 -6.841 8.902 4.186 360 1HG GLU 67 2HG GLU 67 -9.166 8.355 4.684 361 2HG GLU 67 1HG GLU 67 -8.982 9.127 3.110 362 H ARG 68 H ARG 68 -5.869 10.129 1.971 363 HA ARG 68 HA ARG 68 -8.069 11.024 0.414 364 1HB ARG 68 2HB ARG 68 -5.378 12.150 1.101 365 2HB ARG 68 1HB ARG 68 -6.384 12.945 -0.103 366 1HG ARG 68 2HG ARG 68 -7.147 14.072 1.683 367 2HG ARG 68 1HG ARG 68 -8.179 12.655 1.873 368 1HD ARG 68 2HD ARG 68 -5.520 12.426 3.097 369 2HD ARG 68 1HD ARG 68 -6.554 13.663 3.805 370 HE ARG 68 HE ARG 68 -6.790 10.880 4.186 371 1HH1 ARG 68 1HH1 ARG 68 -8.773 13.699 3.603 372 2HH1 ARG 68 2HH1 ARG 68 -10.151 13.054 4.430 373 1HH2 ARG 68 1HH2 ARG 68 -8.597 10.047 5.288 374 2HH2 ARG 68 2HH2 ARG 68 -10.052 10.979 5.384 375 H CYS 69 H CYS 69 -5.219 9.285 -0.358 376 HA CYS 69 HA CYS 69 -4.632 10.085 -2.936 377 1HB CYS 69 2HB CYS 69 -3.796 8.063 -1.278 378 2HB CYS 69 1HB CYS 69 -4.591 7.170 -2.569 379 HG CYS 69 HG CYS 69 -2.874 8.781 -4.116 380 H GLY 70 H GLY 70 -7.329 8.199 -1.773 381 1HA GLY 70 2HA GLY 70 -9.215 7.414 -2.817 382 2HA GLY 70 1HA GLY 70 -8.920 8.659 -4.019 383 H VAL 71 H VAL 71 -6.501 6.239 -3.485 384 HA VAL 71 HA VAL 71 -7.325 4.896 -5.976 385 HB VAL 71 HB VAL 71 -4.813 4.429 -6.254 386 1HG1 VAL 71 1HG1 VAL 71 -5.844 7.243 -6.596 387 2HG1 VAL 71 2HG1 VAL 71 -6.095 5.905 -7.717 388 3HG1 VAL 71 3HG1 VAL 71 -4.470 6.533 -7.444 389 1HG2 VAL 71 1HG2 VAL 71 -3.272 5.933 -5.233 390 2HG2 VAL 71 2HG2 VAL 71 -4.255 5.240 -3.944 391 3HG2 VAL 71 3HG2 VAL 71 -4.577 6.877 -4.515 392 H LEU 72 H LEU 72 -5.748 4.563 -2.836 393 HA LEU 72 HA LEU 72 -5.700 1.659 -3.109 394 1HB LEU 72 2HB LEU 72 -4.497 1.686 -0.968 395 2HB LEU 72 1HB LEU 72 -3.716 2.675 -2.186 396 HG LEU 72 HG LEU 72 -5.229 4.550 -0.949 397 1HD1 LEU 72 1HD1 LEU 72 -4.259 2.930 1.361 398 2HD1 LEU 72 2HD1 LEU 72 -5.854 2.618 0.677 399 3HD1 LEU 72 3HD1 LEU 72 -5.466 4.215 1.317 400 1HD2 LEU 72 1HD2 LEU 72 -3.235 5.447 -0.430 401 2HD2 LEU 72 2HD2 LEU 72 -2.590 4.078 -1.334 402 3HD2 LEU 72 3HD2 LEU 72 -2.692 4.006 0.426 403 H GLN 73 H GLN 73 -6.762 0.259 -1.687 404 HA GLN 73 HA GLN 73 -8.913 1.474 -0.084 405 1HB GLN 73 2HB GLN 73 -9.340 0.092 -2.398 406 2HB GLN 73 1HB GLN 73 -9.458 -1.195 -1.206 407 1HG GLN 73 2HG GLN 73 -11.116 0.230 0.022 408 2HG GLN 73 1HG GLN 73 -11.099 1.318 -1.366 409 1HE2 GLN 73 1HE2 GLN 73 -13.251 -0.334 -0.211 410 2HE2 GLN 73 2HE2 GLN 73 -13.825 -1.321 -1.515 411 H ILE 74 H ILE 74 -9.846 -0.164 1.506 412 HA ILE 74 HA ILE 74 -7.754 -1.075 3.184 413 HB ILE 74 HB ILE 74 -10.666 -1.841 3.375 414 1HG1 ILE 74 2HG1 ILE 74 -10.448 0.598 3.215 415 2HG1 ILE 74 1HG1 ILE 74 -10.929 0.115 4.838 416 1HG2 ILE 74 1HG2 ILE 74 -10.092 -1.911 5.828 417 2HG2 ILE 74 2HG2 ILE 74 -8.400 -1.791 5.350 418 3HG2 ILE 74 3HG2 ILE 74 -9.364 -3.174 4.835 419 1HD1 ILE 74 1HD1 ILE 74 -8.808 0.581 5.717 420 2HD1 ILE 74 2HD1 ILE 74 -9.171 1.927 4.637 421 3HD1 ILE 74 3HD1 ILE 74 -8.070 0.652 4.117 422 H GLY 75 H GLY 75 -6.503 -2.745 2.603 423 1HA GLY 75 2HA GLY 75 -6.592 -5.246 2.795 424 2HA GLY 75 1HA GLY 75 -7.844 -5.165 1.567 425 H ASP 76 H ASP 76 -5.570 -2.820 0.884 426 HA ASP 76 HA ASP 76 -4.688 -4.064 -1.467 427 1HB ASP 76 2HB ASP 76 -4.096 -1.575 -0.013 428 2HB ASP 76 1HB ASP 76 -2.766 -2.172 -1.002 429 H ARG 77 H ARG 77 -3.003 -5.365 -1.935 430 HA ARG 77 HA ARG 77 -1.347 -6.250 0.313 431 1HB ARG 77 2HB ARG 77 -2.707 -7.752 -1.416 432 2HB ARG 77 1HB ARG 77 -1.221 -7.590 -2.342 433 1HG ARG 77 2HG ARG 77 -0.004 -8.385 -0.269 434 2HG ARG 77 1HG ARG 77 -1.591 -8.813 0.374 435 1HD ARG 77 2HD ARG 77 -1.081 -9.769 -2.350 436 2HD ARG 77 1HD ARG 77 -0.015 -10.455 -1.126 437 HE ARG 77 HE ARG 77 -2.618 -10.604 -0.153 438 1HH1 ARG 77 1HH1 ARG 77 -0.729 -11.936 -2.767 439 2HH1 ARG 77 2HH1 ARG 77 -1.644 -13.404 -2.847 440 1HH2 ARG 77 1HH2 ARG 77 -3.821 -12.534 -0.255 441 2HH2 ARG 77 2HH2 ARG 77 -3.399 -13.745 -1.421 442 H VAL 78 H VAL 78 0.275 -4.743 0.470 443 HA VAL 78 HA VAL 78 1.699 -3.797 -1.839 444 HB VAL 78 HB VAL 78 2.782 -3.581 0.955 445 1HG1 VAL 78 1HG1 VAL 78 3.312 -1.246 -0.063 446 2HG1 VAL 78 2HG1 VAL 78 3.002 -2.051 -1.602 447 3HG1 VAL 78 3HG1 VAL 78 4.276 -2.647 -0.537 448 1HG2 VAL 78 1HG2 VAL 78 1.178 -2.215 1.699 449 2HG2 VAL 78 2HG2 VAL 78 0.183 -2.827 0.380 450 3HG2 VAL 78 3HG2 VAL 78 1.102 -1.338 0.174 451 H MET 79 H MET 79 3.461 -4.654 -2.781 452 HA MET 79 HA MET 79 5.184 -6.466 -1.304 453 1HB MET 79 2HB MET 79 3.126 -7.589 -2.691 454 2HB MET 79 1HB MET 79 4.388 -7.578 -3.915 455 1HG MET 79 2HG MET 79 5.075 -8.596 -1.215 456 2HG MET 79 1HG MET 79 4.064 -9.599 -2.255 457 1HE MET 79 1HE MET 79 5.441 -10.907 -4.741 458 2HE MET 79 2HE MET 79 6.217 -9.514 -5.496 459 3HE MET 79 3HE MET 79 4.597 -9.361 -4.813 460 H ALA 80 H ALA 80 5.484 -3.841 -2.524 461 HA ALA 80 HA ALA 80 8.000 -4.135 -3.693 462 1HB ALA 80 1HB ALA 80 6.718 -3.108 -5.988 463 2HB ALA 80 2HB ALA 80 5.870 -4.588 -5.539 464 3HB ALA 80 3HB ALA 80 7.610 -4.621 -5.821 465 H ILE 81 H ILE 81 8.181 -2.457 -2.095 466 HA ILE 81 HA ILE 81 7.160 0.154 -2.997 467 HB ILE 81 HB ILE 81 8.091 -0.575 -0.223 468 1HG1 ILE 81 2HG1 ILE 81 5.243 -0.157 -1.132 469 2HG1 ILE 81 1HG1 ILE 81 5.990 -1.752 -1.030 470 1HG2 ILE 81 1HG2 ILE 81 7.776 1.912 -1.425 471 2HG2 ILE 81 2HG2 ILE 81 7.906 1.579 0.302 472 3HG2 ILE 81 3HG2 ILE 81 6.318 1.695 -0.457 473 1HD1 ILE 81 1HD1 ILE 81 5.269 -1.816 1.063 474 2HD1 ILE 81 2HD1 ILE 81 4.856 -0.101 1.050 475 3HD1 ILE 81 3HD1 ILE 81 6.500 -0.611 1.436 476 H ASN 82 H ASN 82 8.569 1.610 -3.697 477 HA ASN 82 HA ASN 82 10.555 2.474 -4.422 478 1HB ASN 82 2HB ASN 82 12.007 3.226 -2.653 479 2HB ASN 82 1HB ASN 82 10.345 3.332 -2.085 480 1HD2 ASN 82 1HD2 ASN 82 9.703 2.134 -0.368 481 2HD2 ASN 82 2HD2 ASN 82 10.770 1.131 0.561 482 H GLY 83 H GLY 83 10.313 -0.403 -4.733 483 1HA GLY 83 2HA GLY 83 11.884 -1.782 -5.863 484 2HA GLY 83 1HA GLY 83 13.174 -1.006 -4.957 485 H ILE 84 H ILE 84 11.876 -1.246 -2.389 486 HA ILE 84 HA ILE 84 12.667 -3.953 -1.782 487 HB ILE 84 HB ILE 84 11.480 -1.959 0.136 488 1HG1 ILE 84 2HG1 ILE 84 13.445 -1.070 -1.256 489 2HG1 ILE 84 1HG1 ILE 84 13.592 -0.979 0.496 490 1HG2 ILE 84 1HG2 ILE 84 13.231 -3.260 1.606 491 2HG2 ILE 84 2HG2 ILE 84 13.007 -4.500 0.371 492 3HG2 ILE 84 3HG2 ILE 84 11.623 -3.921 1.300 493 1HD1 ILE 84 1HD1 ILE 84 14.780 -3.187 -1.162 494 2HD1 ILE 84 2HD1 ILE 84 15.082 -2.832 0.538 495 3HD1 ILE 84 3HD1 ILE 84 15.646 -1.718 -0.707 496 HA PRO 85 HA PRO 85 8.324 -5.188 -2.010 497 1HB PRO 85 2HB PRO 85 8.722 -7.783 -2.460 498 2HB PRO 85 1HB PRO 85 9.068 -6.583 -3.712 499 1HG PRO 85 2HG PRO 85 10.952 -8.030 -1.900 500 2HG PRO 85 1HG PRO 85 11.141 -7.613 -3.612 501 1HD PRO 85 2HD PRO 85 12.219 -6.192 -1.470 502 2HD PRO 85 1HD PRO 85 12.002 -5.566 -3.115 503 H THR 86 H THR 86 10.400 -5.375 0.457 504 HA THR 86 HA THR 86 10.174 -5.890 2.657 505 HB THR 86 HB THR 86 8.085 -6.181 3.589 506 HG1 THR 86 1HG THR 86 7.510 -7.755 1.326 507 1HG2 THR 86 1HG2 THR 86 6.630 -5.433 1.216 508 2HG2 THR 86 2HG2 THR 86 8.103 -4.484 1.405 509 3HG2 THR 86 3HG2 THR 86 6.912 -4.530 2.703 510 H GLU 87 H GLU 87 10.609 -7.990 0.275 511 HA GLU 87 HA GLU 87 11.201 -10.177 0.088 512 1HB GLU 87 2HB GLU 87 11.967 -9.581 2.938 513 2HB GLU 87 1HB GLU 87 12.319 -11.127 2.177 514 1HG GLU 87 2HG GLU 87 14.244 -10.171 1.592 515 2HG GLU 87 1HG GLU 87 13.294 -9.381 0.336 516 H ASP 88 H ASP 88 8.415 -9.508 1.072 517 HA ASP 88 HA ASP 88 6.569 -10.535 1.957 518 1HB ASP 88 2HB ASP 88 8.012 -12.559 0.315 519 2HB ASP 88 1HB ASP 88 6.636 -13.107 1.268 520 H SER 89 H SER 89 8.755 -10.333 3.833 521 HA SER 89 HA SER 89 8.670 -12.838 5.320 522 1HB SER 89 2HB SER 89 10.553 -10.707 5.070 523 2HB SER 89 1HB SER 89 10.075 -10.820 6.762 524 HG SER 89 HG SER 89 10.634 -13.021 6.709 525 H THR 90 H THR 90 8.589 -9.522 6.587 526 HA THR 90 HA THR 90 6.101 -10.199 8.009 527 HB THR 90 HB THR 90 7.090 -8.731 9.896 528 HG1 THR 90 1HG THR 90 9.464 -9.506 8.554 529 1HG2 THR 90 1HG2 THR 90 6.789 -10.978 10.440 530 2HG2 THR 90 2HG2 THR 90 8.491 -10.662 10.773 531 3HG2 THR 90 3HG2 THR 90 8.026 -11.512 9.301 532 H PHE 91 H PHE 91 4.879 -8.319 8.758 533 HA PHE 91 HA PHE 91 4.636 -6.367 6.706 534 1HB PHE 91 2HB PHE 91 2.808 -5.472 8.011 535 2HB PHE 91 1HB PHE 91 2.720 -7.230 8.040 536 HD1 PHE 91 1HD PHE 91 2.772 -8.413 10.064 537 HD2 PHE 91 2HD PHE 91 3.742 -4.269 10.007 538 HE1 PHE 91 1HE PHE 91 2.725 -8.372 12.524 539 HE2 PHE 91 2HE PHE 91 3.697 -4.221 12.466 540 HZ PHE 91 HZ PHE 91 3.189 -6.274 13.728 541 H GLU 92 H GLU 92 6.330 -6.487 9.724 542 HA GLU 92 HA GLU 92 6.569 -3.799 10.367 543 1HB GLU 92 2HB GLU 92 8.708 -4.435 11.463 544 2HB GLU 92 1HB GLU 92 7.372 -5.506 11.868 545 1HG GLU 92 2HG GLU 92 8.410 -6.807 9.748 546 2HG GLU 92 1HG GLU 92 9.860 -6.049 10.402 547 H GLU 93 H GLU 93 8.413 -5.729 8.052 548 HA GLU 93 HA GLU 93 10.382 -3.841 7.431 549 1HB GLU 93 2HB GLU 93 9.163 -6.100 5.857 550 2HB GLU 93 1HB GLU 93 10.436 -5.087 5.187 551 1HG GLU 93 2HG GLU 93 11.951 -5.751 6.933 552 2HG GLU 93 1HG GLU 93 10.673 -6.653 7.746 553 H ALA 94 H ALA 94 7.243 -4.470 5.877 554 HA ALA 94 HA ALA 94 7.401 -2.530 3.880 555 1HB ALA 94 1HB ALA 94 4.818 -3.197 5.245 556 2HB ALA 94 2HB ALA 94 5.652 -4.382 4.240 557 3HB ALA 94 3HB ALA 94 5.118 -2.852 3.543 558 H ASN 95 H ASN 95 6.224 -2.283 7.216 559 HA ASN 95 HA ASN 95 5.247 0.326 7.125 560 1HB ASN 95 2HB ASN 95 6.282 -1.460 9.279 561 2HB ASN 95 1HB ASN 95 6.106 0.252 9.651 562 1HD2 ASN 95 1HD2 ASN 95 4.456 -2.687 8.801 563 2HD2 ASN 95 2HD2 ASN 95 2.860 -2.146 9.215 564 H GLN 96 H GLN 96 8.510 -0.897 7.669 565 HA GLN 96 HA GLN 96 9.728 1.547 8.284 566 1HB GLN 96 2HB GLN 96 10.826 -0.564 8.746 567 2HB GLN 96 1HB GLN 96 10.858 -0.961 7.035 568 1HG GLN 96 2HG GLN 96 12.924 -0.154 7.062 569 2HG GLN 96 1HG GLN 96 12.161 1.436 7.090 570 1HE2 GLN 96 1HE2 GLN 96 12.031 2.567 9.039 571 2HE2 GLN 96 2HE2 GLN 96 13.034 2.168 10.396 572 H LEU 97 H LEU 97 9.053 -0.084 5.237 573 HA LEU 97 HA LEU 97 10.559 1.563 3.537 574 1HB LEU 97 2HB LEU 97 7.939 0.242 2.848 575 2HB LEU 97 1HB LEU 97 9.218 0.702 1.740 576 HG LEU 97 HG LEU 97 9.448 -1.446 3.847 577 1HD1 LEU 97 1HD1 LEU 97 9.247 -1.771 0.864 578 2HD1 LEU 97 2HD1 LEU 97 7.884 -1.956 1.967 579 3HD1 LEU 97 3HD1 LEU 97 9.271 -3.038 2.089 580 1HD2 LEU 97 1HD2 LEU 97 11.587 -0.427 3.387 581 2HD2 LEU 97 2HD2 LEU 97 11.322 -0.581 1.651 582 3HD2 LEU 97 3HD2 LEU 97 11.523 -2.025 2.643 583 H LEU 98 H LEU 98 7.287 1.876 4.809 584 HA LEU 98 HA LEU 98 6.697 4.233 3.272 585 1HB LEU 98 2HB LEU 98 5.271 3.178 5.712 586 2HB LEU 98 1HB LEU 98 4.645 4.329 4.548 587 HG LEU 98 HG LEU 98 5.263 1.425 3.997 588 1HD1 LEU 98 1HD1 LEU 98 2.729 1.438 3.603 589 2HD1 LEU 98 2HD1 LEU 98 2.732 2.934 4.537 590 3HD1 LEU 98 3HD1 LEU 98 3.312 1.438 5.269 591 1HD2 LEU 98 1HD2 LEU 98 4.335 1.795 1.812 592 2HD2 LEU 98 2HD2 LEU 98 5.642 2.950 2.070 593 3HD2 LEU 98 3HD2 LEU 98 3.964 3.473 2.206 594 H ARG 99 H ARG 99 8.057 3.533 6.398 595 HA ARG 99 HA ARG 99 7.698 6.156 7.480 596 1HB ARG 99 2HB ARG 99 9.032 3.649 8.306 597 2HB ARG 99 1HB ARG 99 9.706 5.130 8.973 598 1HG ARG 99 2HG ARG 99 7.909 5.524 10.277 599 2HG ARG 99 1HG ARG 99 6.772 4.866 9.101 600 1HD ARG 99 2HD ARG 99 7.645 2.585 9.684 601 2HD ARG 99 1HD ARG 99 8.546 3.339 10.998 602 HE ARG 99 HE ARG 99 5.729 2.793 10.917 603 1HH1 ARG 99 1HH1 ARG 99 8.202 4.812 12.325 604 2HH1 ARG 99 2HH1 ARG 99 7.269 5.191 13.733 605 1HH2 ARG 99 1HH2 ARG 99 4.499 3.289 12.767 606 2HH2 ARG 99 2HH2 ARG 99 5.165 4.325 13.984 607 H ASP 100 H ASP 100 10.268 4.513 5.721 608 HA ASP 100 HA ASP 100 12.157 6.640 6.110 609 1HB ASP 100 2HB ASP 100 13.571 5.394 4.530 610 2HB ASP 100 1HB ASP 100 12.949 4.354 5.807 611 H SER 101 H SER 101 9.425 6.468 4.256 612 HA SER 101 HA SER 101 10.335 7.584 1.808 613 1HB SER 101 2HB SER 101 7.598 7.598 3.101 614 2HB SER 101 1HB SER 101 7.927 8.125 1.450 615 HG SER 101 HG SER 101 7.257 5.794 1.989 616 H SER 102 H SER 102 9.611 8.885 4.933 617 HA SER 102 HA SER 102 9.022 11.538 4.283 618 1HB SER 102 2HB SER 102 10.673 11.056 6.704 619 2HB SER 102 1HB SER 102 9.157 11.943 6.528 620 HG SER 102 HG SER 102 8.096 9.911 6.369 621 H ILE 103 H ILE 103 12.038 9.806 4.274 622 HA ILE 103 HA ILE 103 13.923 11.780 4.537 623 HB ILE 103 HB ILE 103 13.955 9.456 2.625 624 1HG1 ILE 103 2HG1 ILE 103 13.613 9.014 5.085 625 2HG1 ILE 103 1HG1 ILE 103 15.038 8.271 4.380 626 1HG2 ILE 103 1HG2 ILE 103 15.855 11.604 3.043 627 2HG2 ILE 103 2HG2 ILE 103 15.848 10.327 1.825 628 3HG2 ILE 103 3HG2 ILE 103 16.561 10.029 3.411 629 1HD1 ILE 103 1HD1 ILE 103 14.928 9.823 6.664 630 2HD1 ILE 103 2HD1 ILE 103 15.648 10.874 5.444 631 3HD1 ILE 103 3HD1 ILE 103 16.378 9.311 5.802 632 H THR 104 H THR 104 12.184 10.851 1.583 633 HA THR 104 HA THR 104 13.151 13.317 0.300 634 HB THR 104 HB THR 104 13.795 11.508 -1.055 635 HG1 THR 104 1HG THR 104 12.525 13.176 -2.144 636 1HG2 THR 104 1HG2 THR 104 12.676 9.640 -0.196 637 2HG2 THR 104 2HG2 THR 104 12.101 9.806 -1.856 638 3HG2 THR 104 3HG2 THR 104 11.089 10.342 -0.514 639 H SER 105 H SER 105 10.562 12.252 1.973 640 HA SER 105 HA SER 105 8.420 12.960 2.214 641 1HB SER 105 2HB SER 105 9.717 15.199 1.708 642 2HB SER 105 1HB SER 105 8.811 15.136 0.198 643 HG SER 105 HG SER 105 7.568 16.250 1.648 644 H LYS 106 H LYS 106 9.353 11.251 -0.174 645 HA LYS 106 HA LYS 106 6.738 11.051 -1.367 646 1HB LYS 106 2HB LYS 106 7.647 12.762 -2.798 647 2HB LYS 106 1HB LYS 106 9.142 11.868 -3.007 648 1HG LYS 106 2HG LYS 106 8.181 11.303 -4.961 649 2HG LYS 106 1HG LYS 106 7.422 10.056 -3.972 650 1HD LYS 106 2HD LYS 106 5.797 11.201 -5.403 651 2HD LYS 106 1HD LYS 106 5.448 11.449 -3.694 652 1HE LYS 106 2HE LYS 106 5.501 13.647 -4.009 653 2HE LYS 106 1HE LYS 106 7.177 13.532 -4.538 654 1HZ LYS 106 1HZ LYS 106 5.171 12.800 -6.507 655 2HZ LYS 106 2HZ LYS 106 6.602 13.682 -6.693 656 3HZ LYS 106 3HZ LYS 106 5.218 14.437 -6.080 657 H VAL 107 H VAL 107 6.335 9.050 -2.263 658 HA VAL 107 HA VAL 107 8.516 7.170 -2.628 659 HB VAL 107 HB VAL 107 7.968 7.042 -0.204 660 1HG1 VAL 107 1HG1 VAL 107 5.449 5.607 -0.776 661 2HG1 VAL 107 2HG1 VAL 107 5.408 7.367 -0.871 662 3HG1 VAL 107 3HG1 VAL 107 5.912 6.576 0.622 663 1HG2 VAL 107 1HG2 VAL 107 7.807 4.595 -0.127 664 2HG2 VAL 107 2HG2 VAL 107 8.949 5.140 -1.356 665 3HG2 VAL 107 3HG2 VAL 107 7.345 4.582 -1.830 666 H THR 108 H THR 108 7.936 5.278 -3.748 667 HA THR 108 HA THR 108 5.251 5.322 -4.961 668 HB THR 108 HB THR 108 6.557 4.148 -6.922 669 HG1 THR 108 1HG THR 108 8.556 4.196 -5.707 670 1HG2 THR 108 1HG2 THR 108 5.569 6.644 -6.640 671 2HG2 THR 108 2HG2 THR 108 6.349 6.038 -8.101 672 3HG2 THR 108 3HG2 THR 108 7.272 6.989 -6.939 673 H LEU 109 H LEU 109 4.214 3.710 -3.940 674 HA LEU 109 HA LEU 109 5.637 1.195 -3.461 675 1HB LEU 109 2HB LEU 109 3.672 0.667 -2.002 676 2HB LEU 109 1HB LEU 109 4.646 2.028 -1.484 677 HG LEU 109 HG LEU 109 2.544 3.009 -3.147 678 1HD1 LEU 109 1HD1 LEU 109 1.505 1.441 -0.803 679 2HD1 LEU 109 2HD1 LEU 109 1.467 0.836 -2.459 680 3HD1 LEU 109 3HD1 LEU 109 0.584 2.302 -2.037 681 1HD2 LEU 109 1HD2 LEU 109 2.700 3.294 -0.170 682 2HD2 LEU 109 2HD2 LEU 109 2.174 4.471 -1.374 683 3HD2 LEU 109 3HD2 LEU 109 3.885 4.066 -1.225 684 H GLU 110 H GLU 110 4.790 -0.800 -4.025 685 HA GLU 110 HA GLU 110 2.826 -0.729 -6.222 686 1HB GLU 110 2HB GLU 110 5.315 -1.727 -6.364 687 2HB GLU 110 1HB GLU 110 4.488 -3.151 -5.748 688 1HG GLU 110 2HG GLU 110 2.821 -2.448 -7.745 689 2HG GLU 110 1HG GLU 110 4.357 -1.878 -8.392 690 H ILE 111 H ILE 111 0.877 -1.597 -5.832 691 HA ILE 111 HA ILE 111 0.636 -3.638 -3.739 692 HB ILE 111 HB ILE 111 -1.677 -2.298 -3.378 693 1HG1 ILE 111 2HG1 ILE 111 -0.289 0.123 -3.040 694 2HG1 ILE 111 1HG1 ILE 111 0.085 -0.407 -4.674 695 1HG2 ILE 111 1HG2 ILE 111 -0.559 -1.308 -1.353 696 2HG2 ILE 111 2HG2 ILE 111 0.954 -1.964 -1.977 697 3HG2 ILE 111 3HG2 ILE 111 -0.374 -3.049 -1.566 698 1HD1 ILE 111 1HD1 ILE 111 -2.452 -0.760 -4.893 699 2HD1 ILE 111 2HD1 ILE 111 -1.803 0.878 -4.950 700 3HD1 ILE 111 3HD1 ILE 111 -2.553 0.278 -3.472 701 H GLU 112 H GLU 112 -0.703 -5.281 -4.221 702 HA GLU 112 HA GLU 112 -2.134 -5.147 -6.757 703 1HB GLU 112 2HB GLU 112 -0.680 -7.113 -6.285 704 2HB GLU 112 1HB GLU 112 -1.734 -7.527 -4.938 705 1HG GLU 112 2HG GLU 112 -3.606 -7.817 -6.492 706 2HG GLU 112 1HG GLU 112 -2.547 -7.407 -7.842 707 H PHE 113 H PHE 113 -4.180 -4.603 -6.782 708 HA PHE 113 HA PHE 113 -5.784 -4.994 -4.349 709 1HB PHE 113 2HB PHE 113 -7.102 -3.115 -5.002 710 2HB PHE 113 1HB PHE 113 -5.420 -2.639 -5.217 711 HD1 PHE 113 1HD PHE 113 -4.432 -2.824 -7.563 712 HD2 PHE 113 2HD PHE 113 -8.609 -2.954 -6.761 713 HE1 PHE 113 1HE PHE 113 -4.897 -2.269 -9.913 714 HE2 PHE 113 2HE PHE 113 -9.080 -2.396 -9.109 715 HZ PHE 113 HZ PHE 113 -7.222 -2.064 -10.689 716 H ASP 114 H ASP 114 -7.945 -5.682 -4.551 717 HA ASP 114 HA ASP 114 -8.357 -7.772 -6.412 718 1HB ASP 114 2HB ASP 114 -9.399 -7.219 -3.992 719 2HB ASP 114 1HB ASP 114 -10.707 -6.624 -5.009 720 H VAL 115 H VAL 115 -10.282 -7.919 -7.853 721 HA VAL 115 HA VAL 115 -10.744 -5.329 -9.177 722 HB VAL 115 HB VAL 115 -9.343 -6.968 -10.411 723 1HG1 VAL 115 1HG1 VAL 115 -11.897 -8.531 -10.611 724 2HG1 VAL 115 2HG1 VAL 115 -10.427 -9.022 -9.770 725 3HG1 VAL 115 3HG1 VAL 115 -10.423 -8.853 -11.526 726 1HG2 VAL 115 1HG2 VAL 115 -10.392 -6.594 -12.558 727 2HG2 VAL 115 2HG2 VAL 115 -10.538 -5.160 -11.540 728 3HG2 VAL 115 3HG2 VAL 115 -11.923 -6.229 -11.763 729 H ALA 116 H ALA 116 -12.744 -5.143 -10.405 730 HA ALA 116 HA ALA 116 -14.961 -6.443 -8.995 731 1HB ALA 116 1HB ALA 116 -16.295 -4.551 -9.505 732 2HB ALA 116 2HB ALA 116 -15.113 -3.947 -10.665 733 3HB ALA 116 3HB ALA 116 -14.741 -3.936 -8.941 734 H GLU 117 H GLU 117 -17.022 -5.997 -10.709 735 HA GLU 117 HA GLU 117 -16.272 -7.303 -13.229 736 1HB GLU 117 2HB GLU 117 -18.369 -8.215 -11.268 737 2HB GLU 117 1HB GLU 117 -18.410 -8.683 -12.963 738 1HG GLU 117 2HG GLU 117 -15.928 -9.135 -11.376 739 2HG GLU 117 1HG GLU 117 -17.299 -10.228 -11.187 740 H SER 118 H SER 118 -16.577 -5.260 -14.217 741 HA SER 118 HA SER 118 -19.143 -3.953 -14.048 742 1HB SER 118 2HB SER 118 -17.003 -2.691 -14.327 743 2HB SER 118 1HB SER 118 -16.851 -3.384 -15.942 744 HG SER 118 HG SER 118 -18.554 -2.219 -16.620 Start of MODEL 5 1 1H GLN 18 1HT GLN 18 -14.912 -2.595 -21.011 2 2H GLN 18 2HT GLN 18 -13.757 -3.679 -21.668 3 3H GLN 18 3HT GLN 18 -13.601 -1.990 -21.933 4 HA GLN 18 HA GLN 18 -12.069 -2.823 -20.284 5 1HB GLN 18 2HB GLN 18 -12.629 -1.091 -18.610 6 2HB GLN 18 1HB GLN 18 -12.799 -0.506 -20.259 7 1HG GLN 18 2HG GLN 18 -15.286 -1.596 -19.331 8 2HG GLN 18 1HG GLN 18 -14.681 -0.392 -18.195 9 1HE2 GLN 18 1HE2 GLN 18 -15.623 1.474 -18.562 10 2HE2 GLN 18 2HE2 GLN 18 -15.923 2.181 -20.116 11 H VAL 19 H VAL 19 -12.424 -5.038 -19.753 12 HA VAL 19 HA VAL 19 -14.375 -5.577 -17.637 13 HB VAL 19 HB VAL 19 -12.620 -7.573 -19.067 14 1HG1 VAL 19 1HG1 VAL 19 -13.885 -7.972 -16.775 15 2HG1 VAL 19 2HG1 VAL 19 -13.790 -9.223 -18.016 16 3HG1 VAL 19 3HG1 VAL 19 -15.249 -8.243 -17.861 17 1HG2 VAL 19 1HG2 VAL 19 -13.854 -6.926 -20.860 18 2HG2 VAL 19 2HG2 VAL 19 -15.162 -6.284 -19.867 19 3HG2 VAL 19 3HG2 VAL 19 -15.028 -8.023 -20.131 20 H VAL 20 H VAL 20 -13.664 -5.187 -15.651 21 HA VAL 20 HA VAL 20 -10.997 -4.997 -14.848 22 HB VAL 20 HB VAL 20 -13.119 -4.149 -13.670 23 1HG1 VAL 20 1HG1 VAL 20 -13.042 -6.971 -12.625 24 2HG1 VAL 20 2HG1 VAL 20 -14.393 -6.111 -13.358 25 3HG1 VAL 20 3HG1 VAL 20 -13.819 -5.650 -11.756 26 1HG2 VAL 20 1HG2 VAL 20 -10.659 -5.217 -12.390 27 2HG2 VAL 20 2HG2 VAL 20 -11.936 -4.558 -11.369 28 3HG2 VAL 20 3HG2 VAL 20 -11.191 -3.551 -12.605 29 H HIS 21 H HIS 21 -9.538 -6.442 -13.928 30 HA HIS 21 HA HIS 21 -10.412 -9.114 -13.270 31 1HB HIS 21 2HB HIS 21 -8.933 -8.501 -15.765 32 2HB HIS 21 1HB HIS 21 -8.414 -9.922 -14.865 33 HD1 HIS 21 1HD HIS 21 -10.153 -11.868 -14.629 34 HD2 HIS 21 2HD HIS 21 -11.347 -8.751 -17.105 35 HE1 HIS 21 1HE HIS 21 -12.120 -12.753 -15.921 36 HE2 HIS 21 2HE HIS 21 -12.781 -10.873 -17.464 37 H THR 22 H THR 22 -9.224 -7.060 -11.732 38 HA THR 22 HA THR 22 -7.655 -6.805 -10.101 39 HB THR 22 HB THR 22 -7.094 -9.699 -10.779 40 HG1 THR 22 1HG THR 22 -9.130 -9.516 -9.987 41 1HG2 THR 22 1HG2 THR 22 -5.611 -8.006 -9.067 42 2HG2 THR 22 2HG2 THR 22 -5.453 -9.743 -9.310 43 3HG2 THR 22 3HG2 THR 22 -6.537 -9.121 -8.066 44 H GLU 23 H GLU 23 -5.517 -6.200 -9.818 45 HA GLU 23 HA GLU 23 -3.364 -6.961 -11.436 46 1HB GLU 23 2HB GLU 23 -3.311 -4.476 -12.517 47 2HB GLU 23 1HB GLU 23 -3.911 -5.898 -13.354 48 1HG GLU 23 2HG GLU 23 -6.061 -5.219 -13.260 49 2HG GLU 23 1HG GLU 23 -5.862 -4.433 -11.695 50 H THR 24 H THR 24 -1.483 -5.386 -11.226 51 HA THR 24 HA THR 24 -1.443 -4.450 -8.478 52 HB THR 24 HB THR 24 1.022 -4.010 -9.060 53 HG1 THR 24 1HG THR 24 0.461 -5.710 -11.244 54 1HG2 THR 24 1HG2 THR 24 0.590 -5.919 -7.760 55 2HG2 THR 24 2HG2 THR 24 1.592 -6.464 -9.106 56 3HG2 THR 24 3HG2 THR 24 -0.143 -6.772 -9.117 57 H THR 25 H THR 25 -0.776 -2.335 -7.856 58 HA THR 25 HA THR 25 -0.979 -0.306 -9.978 59 HB THR 25 HB THR 25 -3.115 -0.152 -9.031 60 HG1 THR 25 1HG THR 25 -3.101 1.824 -8.121 61 1HG2 THR 25 1HG2 THR 25 -1.949 -1.305 -6.733 62 2HG2 THR 25 2HG2 THR 25 -3.654 -1.039 -7.089 63 3HG2 THR 25 3HG2 THR 25 -2.722 0.206 -6.255 64 H GLU 26 H GLU 26 0.248 1.512 -9.737 65 HA GLU 26 HA GLU 26 2.269 1.412 -7.605 66 1HB GLU 26 2HB GLU 26 2.363 2.044 -10.426 67 2HB GLU 26 1HB GLU 26 2.973 3.395 -9.479 68 1HG GLU 26 2HG GLU 26 4.258 1.371 -8.272 69 2HG GLU 26 1HG GLU 26 4.104 0.712 -9.901 70 H VAL 27 H VAL 27 1.380 2.480 -5.915 71 HA VAL 27 HA VAL 27 0.168 5.098 -6.409 72 HB VAL 27 HB VAL 27 -0.314 4.601 -3.779 73 1HG1 VAL 27 1HG1 VAL 27 -2.408 4.866 -4.491 74 2HG1 VAL 27 2HG1 VAL 27 -2.356 3.355 -5.399 75 3HG1 VAL 27 3HG1 VAL 27 -1.772 4.847 -6.135 76 1HG2 VAL 27 1HG2 VAL 27 -0.381 1.933 -5.179 77 2HG2 VAL 27 2HG2 VAL 27 -1.104 2.271 -3.604 78 3HG2 VAL 27 3HG2 VAL 27 0.644 2.383 -3.816 79 H VAL 28 H VAL 28 1.641 6.670 -6.299 80 HA VAL 28 HA VAL 28 3.832 6.510 -4.392 81 HB VAL 28 HB VAL 28 4.262 7.275 -6.711 82 1HG1 VAL 28 1HG1 VAL 28 3.382 9.194 -7.635 83 2HG1 VAL 28 2HG1 VAL 28 2.978 9.892 -6.067 84 3HG1 VAL 28 3HG1 VAL 28 2.004 8.575 -6.723 85 1HG2 VAL 28 1HG2 VAL 28 5.240 9.635 -5.781 86 2HG2 VAL 28 2HG2 VAL 28 6.005 8.065 -5.535 87 3HG2 VAL 28 3HG2 VAL 28 4.973 8.750 -4.279 88 H LEU 29 H LEU 29 3.525 7.224 -2.383 89 HA LEU 29 HA LEU 29 1.552 9.343 -1.922 90 1HB LEU 29 2HB LEU 29 2.547 7.049 -0.327 91 2HB LEU 29 1HB LEU 29 2.118 8.503 0.555 92 HG LEU 29 HG LEU 29 0.242 7.103 -1.345 93 1HD1 LEU 29 1HD1 LEU 29 0.914 5.678 0.589 94 2HD1 LEU 29 2HD1 LEU 29 -0.802 6.080 0.541 95 3HD1 LEU 29 3HD1 LEU 29 0.270 6.922 1.661 96 1HD2 LEU 29 1HD2 LEU 29 -1.381 8.569 -0.653 97 2HD2 LEU 29 2HD2 LEU 29 0.039 9.615 -0.611 98 3HD2 LEU 29 3HD2 LEU 29 -0.577 8.906 0.880 99 H THR 30 H THR 30 2.071 10.889 -0.148 100 HA THR 30 HA THR 30 4.937 11.566 -0.161 101 HB THR 30 HB THR 30 2.659 13.546 -0.020 102 HG1 THR 30 1HG THR 30 4.243 12.986 -2.293 103 1HG2 THR 30 1HG2 THR 30 5.128 14.066 0.729 104 2HG2 THR 30 2HG2 THR 30 4.171 15.231 -0.185 105 3HG2 THR 30 3HG2 THR 30 5.368 14.232 -1.011 106 H ALA 31 H ALA 31 5.849 12.247 1.762 107 HA ALA 31 HA ALA 31 4.353 11.571 4.154 108 1HB ALA 31 1HB ALA 31 6.361 11.339 5.222 109 2HB ALA 31 2HB ALA 31 7.133 12.616 4.283 110 3HB ALA 31 3HB ALA 31 6.861 11.032 3.559 111 H ASP 32 H ASP 32 3.144 13.048 5.126 112 HA ASP 32 HA ASP 32 3.536 15.864 4.685 113 1HB ASP 32 2HB ASP 32 1.482 14.143 5.905 114 2HB ASP 32 1HB ASP 32 1.677 15.709 6.689 115 HA PRO 33 HA PRO 33 5.991 16.587 8.293 116 1HB PRO 33 2HB PRO 33 5.911 19.254 8.356 117 2HB PRO 33 1HB PRO 33 6.696 18.392 7.028 118 1HG PRO 33 2HG PRO 33 4.027 19.722 7.111 119 2HG PRO 33 1HG PRO 33 5.205 19.648 5.788 120 1HD PRO 33 2HD PRO 33 2.942 18.038 6.050 121 2HD PRO 33 1HD PRO 33 4.332 17.709 4.998 122 H VAL 34 H VAL 34 2.853 16.361 8.540 123 HA VAL 34 HA VAL 34 2.689 17.718 11.150 124 HB VAL 34 HB VAL 34 0.349 17.011 9.377 125 1HG1 VAL 34 1HG1 VAL 34 -0.661 17.237 11.384 126 2HG1 VAL 34 2HG1 VAL 34 -0.520 18.957 11.016 127 3HG1 VAL 34 3HG1 VAL 34 0.664 18.179 12.067 128 1HG2 VAL 34 1HG2 VAL 34 0.250 19.556 9.103 129 2HG2 VAL 34 2HG2 VAL 34 1.457 18.676 8.165 130 3HG2 VAL 34 3HG2 VAL 34 1.935 19.546 9.623 131 H THR 35 H THR 35 1.775 14.847 9.296 132 HA THR 35 HA THR 35 1.703 13.339 11.812 133 HB THR 35 HB THR 35 -0.607 13.681 11.346 134 HG1 THR 35 1HG THR 35 -1.007 11.655 11.620 135 1HG2 THR 35 1HG2 THR 35 -0.705 12.425 8.710 136 2HG2 THR 35 2HG2 THR 35 0.048 14.018 8.737 137 3HG2 THR 35 3HG2 THR 35 -1.591 13.810 9.350 138 H GLY 36 H GLY 36 1.786 13.155 8.263 139 1HA GLY 36 2HA GLY 36 3.891 11.946 7.502 140 2HA GLY 36 1HA GLY 36 3.303 10.636 8.515 141 H PHE 37 H PHE 37 2.068 9.133 7.591 142 HA PHE 37 HA PHE 37 0.853 9.769 4.982 143 1HB PHE 37 2HB PHE 37 2.120 7.201 5.942 144 2HB PHE 37 1HB PHE 37 1.143 7.311 4.481 145 HD1 PHE 37 1HD PHE 37 4.274 8.386 6.086 146 HD2 PHE 37 2HD PHE 37 2.010 8.265 2.486 147 HE1 PHE 37 1HE PHE 37 6.262 9.086 4.817 148 HE2 PHE 37 2HE PHE 37 3.995 8.961 1.209 149 HZ PHE 37 HZ PHE 37 6.126 9.373 2.373 150 H GLY 38 H GLY 38 0.457 8.192 8.084 151 1HA GLY 38 2HA GLY 38 -1.441 7.549 9.206 152 2HA GLY 38 1HA GLY 38 -2.361 8.451 8.011 153 H ILE 39 H ILE 39 -0.211 5.746 7.324 154 HA ILE 39 HA ILE 39 -2.546 4.048 6.786 155 HB ILE 39 HB ILE 39 -1.895 5.017 4.644 156 1HG1 ILE 39 2HG1 ILE 39 -0.801 2.312 4.254 157 2HG1 ILE 39 1HG1 ILE 39 -2.312 2.360 5.165 158 1HG2 ILE 39 1HG2 ILE 39 0.597 5.153 5.530 159 2HG2 ILE 39 2HG2 ILE 39 0.219 5.100 3.807 160 3HG2 ILE 39 3HG2 ILE 39 0.727 3.633 4.645 161 1HD1 ILE 39 1HD1 ILE 39 -3.485 2.716 3.323 162 2HD1 ILE 39 2HD1 ILE 39 -2.009 2.407 2.408 163 3HD1 ILE 39 3HD1 ILE 39 -2.447 4.058 2.841 164 H GLN 40 H GLN 40 -2.326 2.015 7.494 165 HA GLN 40 HA GLN 40 0.371 1.103 8.250 166 1HB GLN 40 2HB GLN 40 -1.998 1.393 9.850 167 2HB GLN 40 1HB GLN 40 -1.532 -0.302 9.794 168 1HG GLN 40 2HG GLN 40 -0.196 0.231 11.496 169 2HG GLN 40 1HG GLN 40 0.861 0.887 10.249 170 1HE2 GLN 40 1HE2 GLN 40 0.126 3.203 9.580 171 2HE2 GLN 40 2HE2 GLN 40 -0.134 4.287 10.907 172 H LEU 41 H LEU 41 0.747 -1.184 8.171 173 HA LEU 41 HA LEU 41 -1.139 -2.711 6.527 174 1HB LEU 41 2HB LEU 41 1.055 -3.649 5.421 175 2HB LEU 41 1HB LEU 41 0.275 -2.204 4.807 176 HG LEU 41 HG LEU 41 1.956 -1.003 6.468 177 1HD1 LEU 41 1HD1 LEU 41 2.952 -2.905 7.469 178 2HD1 LEU 41 2HD1 LEU 41 4.149 -2.228 6.363 179 3HD1 LEU 41 3HD1 LEU 41 3.234 -3.665 5.901 180 1HD2 LEU 41 1HD2 LEU 41 2.826 -2.126 3.810 181 2HD2 LEU 41 2HD2 LEU 41 3.462 -0.688 4.608 182 3HD2 LEU 41 3HD2 LEU 41 1.798 -0.711 4.023 183 H GLN 42 H GLN 42 -1.351 -4.807 7.098 184 HA GLN 42 HA GLN 42 0.092 -5.685 9.467 185 1HB GLN 42 2HB GLN 42 -2.293 -6.804 7.998 186 2HB GLN 42 1HB GLN 42 -1.546 -7.606 9.371 187 1HG GLN 42 2HG GLN 42 -3.128 -6.480 10.507 188 2HG GLN 42 1HG GLN 42 -1.929 -5.189 10.446 189 1HE2 GLN 42 1HE2 GLN 42 -5.093 -5.948 9.913 190 2HE2 GLN 42 2HE2 GLN 42 -5.524 -4.642 8.858 191 H GLY 43 H GLY 43 0.610 -8.108 9.534 192 1HA GLY 43 2HA GLY 43 1.898 -8.883 6.991 193 2HA GLY 43 1HA GLY 43 2.692 -9.077 8.548 194 H SER 44 H SER 44 2.178 -11.134 6.620 195 HA SER 44 HA SER 44 -0.024 -12.719 7.010 196 1HB SER 44 2HB SER 44 1.705 -14.670 6.671 197 2HB SER 44 1HB SER 44 1.410 -13.519 5.368 198 HG SER 44 HG SER 44 3.315 -12.542 5.779 199 H VAL 45 H VAL 45 0.079 -14.967 8.137 200 HA VAL 45 HA VAL 45 1.350 -14.862 10.748 201 HB VAL 45 HB VAL 45 -1.640 -15.109 10.443 202 1HG1 VAL 45 1HG1 VAL 45 -1.247 -16.534 12.201 203 2HG1 VAL 45 2HG1 VAL 45 -1.381 -14.998 13.055 204 3HG1 VAL 45 3HG1 VAL 45 0.209 -15.680 12.711 205 1HG2 VAL 45 1HG2 VAL 45 0.095 -12.982 11.685 206 2HG2 VAL 45 2HG2 VAL 45 -1.653 -13.082 11.893 207 3HG2 VAL 45 3HG2 VAL 45 -0.969 -12.817 10.289 208 H PHE 46 H PHE 46 -1.369 -16.785 9.654 209 HA PHE 46 HA PHE 46 0.276 -19.085 9.078 210 1HB PHE 46 2HB PHE 46 -0.922 -18.723 11.695 211 2HB PHE 46 1HB PHE 46 -1.539 -20.174 10.911 212 HD1 PHE 46 1HD PHE 46 1.506 -18.472 12.093 213 HD2 PHE 46 2HD PHE 46 -0.181 -22.095 10.628 214 HE1 PHE 46 1HE PHE 46 3.556 -19.679 12.725 215 HE2 PHE 46 2HE PHE 46 1.865 -23.307 11.258 216 HZ PHE 46 HZ PHE 46 3.737 -22.099 12.309 217 H ALA 47 H ALA 47 -0.606 -19.889 7.301 218 HA ALA 47 HA ALA 47 -3.221 -19.291 6.426 219 1HB ALA 47 1HB ALA 47 -2.770 -20.974 4.655 220 2HB ALA 47 2HB ALA 47 -1.269 -21.386 5.484 221 3HB ALA 47 3HB ALA 47 -1.495 -19.766 4.825 222 H THR 48 H THR 48 -4.871 -19.941 7.701 223 HA THR 48 HA THR 48 -5.876 -22.499 7.564 224 HB THR 48 HB THR 48 -4.106 -23.316 8.947 225 HG1 THR 48 1HG THR 48 -6.336 -22.913 10.646 226 1HG2 THR 48 1HG2 THR 48 -3.353 -21.216 9.931 227 2HG2 THR 48 2HG2 THR 48 -3.612 -22.455 11.157 228 3HG2 THR 48 3HG2 THR 48 -4.800 -21.170 10.936 229 H GLU 49 H GLU 49 -5.607 -19.578 9.398 230 HA GLU 49 HA GLU 49 -8.434 -19.179 9.393 231 1HB GLU 49 2HB GLU 49 -7.938 -20.779 11.361 232 2HB GLU 49 1HB GLU 49 -7.222 -19.374 12.139 233 1HG GLU 49 2HG GLU 49 -9.308 -18.202 12.079 234 2HG GLU 49 1HG GLU 49 -10.048 -19.478 11.113 235 H THR 50 H THR 50 -5.731 -18.200 11.505 236 HA THR 50 HA THR 50 -6.381 -15.539 11.754 237 HB THR 50 HB THR 50 -3.515 -16.325 11.526 238 HG1 THR 50 1HG THR 50 -3.595 -17.556 13.277 239 1HG2 THR 50 1HG2 THR 50 -3.962 -15.137 13.969 240 2HG2 THR 50 2HG2 THR 50 -5.028 -14.263 12.869 241 3HG2 THR 50 3HG2 THR 50 -3.301 -14.363 12.529 242 H LEU 51 H LEU 51 -4.848 -13.711 10.891 243 HA LEU 51 HA LEU 51 -5.422 -13.290 8.212 244 1HB LEU 51 2HB LEU 51 -4.867 -11.456 9.679 245 2HB LEU 51 1HB LEU 51 -3.250 -12.084 9.926 246 HG LEU 51 HG LEU 51 -3.520 -10.085 8.351 247 1HD1 LEU 51 1HD1 LEU 51 -2.137 -12.250 6.886 248 2HD1 LEU 51 2HD1 LEU 51 -1.613 -11.918 8.537 249 3HD1 LEU 51 3HD1 LEU 51 -1.579 -10.636 7.326 250 1HD2 LEU 51 1HD2 LEU 51 -4.069 -10.636 6.029 251 2HD2 LEU 51 2HD2 LEU 51 -5.444 -10.892 7.104 252 3HD2 LEU 51 3HD2 LEU 51 -4.509 -12.270 6.525 253 H SER 52 H SER 52 -4.797 -14.628 6.637 254 HA SER 52 HA SER 52 -1.990 -15.495 6.583 255 1HB SER 52 2HB SER 52 -3.811 -16.765 4.674 256 2HB SER 52 1HB SER 52 -2.636 -17.488 5.771 257 HG SER 52 HG SER 52 -4.253 -16.954 7.461 258 H SER 53 H SER 53 -1.155 -13.658 5.671 259 HA SER 53 HA SER 53 -1.039 -13.570 2.871 260 1HB SER 53 2HB SER 53 -3.364 -12.432 3.640 261 2HB SER 53 1HB SER 53 -2.300 -11.028 3.731 262 HG SER 53 HG SER 53 -1.673 -11.517 1.551 263 HA PRO 54 HA PRO 54 2.780 -11.657 4.073 264 1HB PRO 54 2HB PRO 54 3.223 -10.327 1.656 265 2HB PRO 54 1HB PRO 54 3.730 -11.976 2.034 266 1HG PRO 54 2HG PRO 54 1.341 -11.022 0.524 267 2HG PRO 54 1HG PRO 54 2.362 -12.442 0.234 268 1HD PRO 54 2HD PRO 54 -0.055 -12.676 1.357 269 2HD PRO 54 1HD PRO 54 1.304 -13.692 1.882 270 HA PRO 55 HA PRO 55 2.485 -7.416 5.289 271 1HB PRO 55 2HB PRO 55 4.178 -6.635 2.944 272 2HB PRO 55 1HB PRO 55 4.299 -6.126 4.634 273 1HG PRO 55 2HG PRO 55 5.947 -7.972 3.658 274 2HG PRO 55 1HG PRO 55 5.296 -8.111 5.300 275 1HD PRO 55 2HD PRO 55 4.609 -9.649 2.857 276 2HD PRO 55 1HD PRO 55 4.527 -10.136 4.561 277 H LEU 56 H LEU 56 0.286 -7.199 4.779 278 HA LEU 56 HA LEU 56 -0.285 -5.864 2.217 279 1HB LEU 56 2HB LEU 56 -2.421 -6.831 2.172 280 2HB LEU 56 1HB LEU 56 -1.343 -8.129 2.644 281 HG LEU 56 HG LEU 56 -2.977 -6.543 4.623 282 1HD1 LEU 56 1HD1 LEU 56 -4.106 -8.094 2.735 283 2HD1 LEU 56 2HD1 LEU 56 -4.750 -7.906 4.365 284 3HD1 LEU 56 3HD1 LEU 56 -3.754 -9.306 3.966 285 1HD2 LEU 56 1HD2 LEU 56 -2.567 -8.813 5.859 286 2HD2 LEU 56 2HD2 LEU 56 -1.329 -7.557 5.861 287 3HD2 LEU 56 3HD2 LEU 56 -1.194 -8.927 4.759 288 H ILE 57 H ILE 57 -1.758 -4.125 2.203 289 HA ILE 57 HA ILE 57 -1.658 -2.518 4.610 290 HB ILE 57 HB ILE 57 -2.834 -1.891 1.898 291 1HG1 ILE 57 2HG1 ILE 57 -0.302 -0.718 2.990 292 2HG1 ILE 57 1HG1 ILE 57 -0.270 -2.305 2.230 293 1HG2 ILE 57 1HG2 ILE 57 -2.483 0.507 2.804 294 2HG2 ILE 57 2HG2 ILE 57 -2.494 -0.265 4.389 295 3HG2 ILE 57 3HG2 ILE 57 -3.897 -0.406 3.330 296 1HD1 ILE 57 1HD1 ILE 57 -0.972 0.336 1.008 297 2HD1 ILE 57 2HD1 ILE 57 -1.410 -1.192 0.248 298 3HD1 ILE 57 3HD1 ILE 57 0.285 -0.803 0.532 299 H SER 58 H SER 58 -3.516 -1.539 5.585 300 HA SER 58 HA SER 58 -6.169 -2.143 4.923 301 1HB SER 58 2HB SER 58 -5.618 -4.443 5.514 302 2HB SER 58 1HB SER 58 -4.997 -3.917 7.078 303 HG SER 58 HG SER 58 -7.066 -3.328 7.677 304 H TYR 59 H TYR 59 -5.082 0.189 5.605 305 HA TYR 59 HA TYR 59 -6.676 1.073 7.742 306 1HB TYR 59 2HB TYR 59 -4.967 -0.086 9.105 307 2HB TYR 59 1HB TYR 59 -3.727 0.940 8.396 308 HD1 TYR 59 1HD TYR 59 -3.173 2.957 9.420 309 HD2 TYR 59 2HD TYR 59 -6.895 1.118 10.349 310 HE1 TYR 59 1HE TYR 59 -3.562 4.641 11.169 311 HE2 TYR 59 2HE TYR 59 -7.295 2.798 12.101 312 HH TYR 59 HH TYR 59 -4.974 4.711 13.376 313 H ILE 60 H ILE 60 -7.014 3.196 7.564 314 HA ILE 60 HA ILE 60 -5.006 4.955 6.430 315 HB ILE 60 HB ILE 60 -7.644 5.264 5.118 316 1HG1 ILE 60 2HG1 ILE 60 -5.708 3.061 4.361 317 2HG1 ILE 60 1HG1 ILE 60 -7.363 2.849 4.920 318 1HG2 ILE 60 1HG2 ILE 60 -6.250 5.959 3.251 319 2HG2 ILE 60 2HG2 ILE 60 -4.804 5.436 4.114 320 3HG2 ILE 60 3HG2 ILE 60 -5.758 6.786 4.729 321 1HD1 ILE 60 1HD1 ILE 60 -8.250 3.718 2.919 322 2HD1 ILE 60 2HD1 ILE 60 -6.971 2.598 2.448 323 3HD1 ILE 60 3HD1 ILE 60 -6.681 4.337 2.407 324 H GLU 61 H GLU 61 -5.469 7.203 6.790 325 HA GLU 61 HA GLU 61 -7.313 7.571 9.035 326 1HB GLU 61 2HB GLU 61 -4.703 8.502 8.468 327 2HB GLU 61 1HB GLU 61 -5.755 9.911 8.468 328 1HG GLU 61 2HG GLU 61 -5.372 9.903 10.668 329 2HG GLU 61 1HG GLU 61 -6.611 8.648 10.698 330 H ALA 62 H ALA 62 -8.659 9.425 9.174 331 HA ALA 62 HA ALA 62 -9.871 10.082 6.621 332 1HB ALA 62 1HB ALA 62 -10.696 10.196 9.459 333 2HB ALA 62 2HB ALA 62 -11.590 9.657 8.038 334 3HB ALA 62 3HB ALA 62 -11.418 11.380 8.369 335 H ASP 63 H ASP 63 -7.348 11.161 6.910 336 HA ASP 63 HA ASP 63 -7.635 13.766 6.114 337 1HB ASP 63 2HB ASP 63 -8.003 13.591 8.912 338 2HB ASP 63 1HB ASP 63 -6.416 14.310 8.666 339 H SER 64 H SER 64 -6.058 11.376 5.682 340 HA SER 64 HA SER 64 -3.371 12.550 5.939 341 1HB SER 64 2HB SER 64 -4.002 9.594 6.062 342 2HB SER 64 1HB SER 64 -2.421 10.346 6.271 343 HG SER 64 HG SER 64 -2.901 10.695 8.278 344 HA PRO 65 HA PRO 65 -2.918 12.436 1.564 345 1HB PRO 65 2HB PRO 65 -0.374 11.211 1.510 346 2HB PRO 65 1HB PRO 65 -0.716 12.941 1.503 347 1HG PRO 65 2HG PRO 65 0.026 11.166 3.770 348 2HG PRO 65 1HG PRO 65 0.415 12.874 3.502 349 1HD PRO 65 2HD PRO 65 -1.435 12.140 5.287 350 2HD PRO 65 1HD PRO 65 -1.652 13.594 4.290 351 H ALA 66 H ALA 66 -2.200 9.530 3.423 352 HA ALA 66 HA ALA 66 -2.109 7.676 1.334 353 1HB ALA 66 1HB ALA 66 -2.783 6.014 3.084 354 2HB ALA 66 2HB ALA 66 -2.982 7.365 4.199 355 3HB ALA 66 3HB ALA 66 -1.397 7.018 3.509 356 H GLU 67 H GLU 67 -4.864 8.842 3.239 357 HA GLU 67 HA GLU 67 -6.758 7.228 1.802 358 1HB GLU 67 2HB GLU 67 -7.400 7.670 4.009 359 2HB GLU 67 1HB GLU 67 -6.948 9.363 3.904 360 1HG GLU 67 2HG GLU 67 -9.384 8.982 4.008 361 2HG GLU 67 1HG GLU 67 -8.866 9.860 2.570 362 H ARG 68 H ARG 68 -5.785 10.629 1.796 363 HA ARG 68 HA ARG 68 -7.722 11.473 -0.098 364 1HB ARG 68 2HB ARG 68 -5.127 12.670 0.860 365 2HB ARG 68 1HB ARG 68 -6.136 13.458 -0.347 366 1HG ARG 68 2HG ARG 68 -7.051 14.466 1.430 367 2HG ARG 68 1HG ARG 68 -7.966 12.963 1.576 368 1HD ARG 68 2HD ARG 68 -5.327 12.897 2.841 369 2HD ARG 68 1HD ARG 68 -6.430 14.076 3.542 370 HE ARG 68 HE ARG 68 -6.533 11.282 3.906 371 1HH1 ARG 68 1HH1 ARG 68 -8.636 14.014 3.333 372 2HH1 ARG 68 2HH1 ARG 68 -9.991 13.299 4.138 373 1HH2 ARG 68 1HH2 ARG 68 -8.317 10.351 4.977 374 2HH2 ARG 68 2HH2 ARG 68 -9.812 11.221 5.066 375 H CYS 69 H CYS 69 -4.939 9.591 -0.452 376 HA CYS 69 HA CYS 69 -3.821 10.408 -2.844 377 1HB CYS 69 2HB CYS 69 -3.320 8.371 -1.193 378 2HB CYS 69 1HB CYS 69 -4.200 7.483 -2.432 379 HG CYS 69 HG CYS 69 -1.354 8.324 -2.632 380 H GLY 70 H GLY 70 -6.842 8.751 -2.268 381 1HA GLY 70 2HA GLY 70 -8.587 8.236 -3.667 382 2HA GLY 70 1HA GLY 70 -7.919 9.428 -4.771 383 H VAL 71 H VAL 71 -6.066 6.659 -3.754 384 HA VAL 71 HA VAL 71 -6.724 5.133 -6.130 385 HB VAL 71 HB VAL 71 -4.222 4.969 -6.699 386 1HG1 VAL 71 1HG1 VAL 71 -5.869 6.009 -8.160 387 2HG1 VAL 71 2HG1 VAL 71 -4.354 6.911 -8.187 388 3HG1 VAL 71 3HG1 VAL 71 -5.727 7.522 -7.264 389 1HG2 VAL 71 1HG2 VAL 71 -4.016 7.732 -5.594 390 2HG2 VAL 71 2HG2 VAL 71 -2.742 6.574 -5.973 391 3HG2 VAL 71 3HG2 VAL 71 -3.731 6.355 -4.529 392 H LEU 72 H LEU 72 -6.862 4.770 -3.229 393 HA LEU 72 HA LEU 72 -5.311 2.286 -3.075 394 1HB LEU 72 2HB LEU 72 -5.223 4.596 -1.218 395 2HB LEU 72 1HB LEU 72 -5.248 3.002 -0.490 396 HG LEU 72 HG LEU 72 -3.267 3.567 -2.650 397 1HD1 LEU 72 1HD1 LEU 72 -1.730 4.586 -1.203 398 2HD1 LEU 72 2HD1 LEU 72 -2.705 4.227 0.223 399 3HD1 LEU 72 3HD1 LEU 72 -3.247 5.444 -0.932 400 1HD2 LEU 72 1HD2 LEU 72 -3.658 1.636 -0.444 401 2HD2 LEU 72 2HD2 LEU 72 -1.997 2.108 -0.808 402 3HD2 LEU 72 3HD2 LEU 72 -3.007 1.394 -2.066 403 H GLN 73 H GLN 73 -6.140 0.793 -1.403 404 HA GLN 73 HA GLN 73 -8.909 1.260 -0.598 405 1HB GLN 73 2HB GLN 73 -8.578 -0.029 -2.899 406 2HB GLN 73 1HB GLN 73 -8.312 -1.393 -1.820 407 1HG GLN 73 2HG GLN 73 -10.597 -0.150 -0.840 408 2HG GLN 73 1HG GLN 73 -10.771 -0.104 -2.594 409 1HE2 GLN 73 1HE2 GLN 73 -11.703 -1.801 -3.462 410 2HE2 GLN 73 2HE2 GLN 73 -11.744 -3.402 -2.797 411 H ILE 74 H ILE 74 -9.678 -0.307 0.989 412 HA ILE 74 HA ILE 74 -7.636 -0.921 2.900 413 HB ILE 74 HB ILE 74 -10.535 -1.746 3.011 414 1HG1 ILE 74 2HG1 ILE 74 -10.314 0.687 2.612 415 2HG1 ILE 74 1HG1 ILE 74 -10.965 0.332 4.209 416 1HG2 ILE 74 1HG2 ILE 74 -8.319 -1.552 5.014 417 2HG2 ILE 74 2HG2 ILE 74 -9.425 -2.889 4.699 418 3HG2 ILE 74 3HG2 ILE 74 -10.005 -1.438 5.518 419 1HD1 ILE 74 1HD1 ILE 74 -9.436 2.025 4.599 420 2HD1 ILE 74 2HD1 ILE 74 -8.260 1.358 3.465 421 3HD1 ILE 74 3HD1 ILE 74 -8.539 0.565 5.015 422 H GLY 75 H GLY 75 -6.297 -2.540 2.230 423 1HA GLY 75 2HA GLY 75 -6.142 -4.986 2.661 424 2HA GLY 75 1HA GLY 75 -7.578 -5.143 1.662 425 H ASP 76 H ASP 76 -4.777 -3.077 1.047 426 HA ASP 76 HA ASP 76 -4.516 -4.206 -1.599 427 1HB ASP 76 2HB ASP 76 -3.204 -1.937 -0.128 428 2HB ASP 76 1HB ASP 76 -2.534 -2.521 -1.649 429 H ARG 77 H ARG 77 -3.161 -5.776 -2.188 430 HA ARG 77 HA ARG 77 -1.389 -6.921 -0.205 431 1HB ARG 77 2HB ARG 77 -2.585 -7.775 -2.754 432 2HB ARG 77 1HB ARG 77 -0.955 -8.374 -2.476 433 1HG ARG 77 2HG ARG 77 -1.580 -9.671 -0.709 434 2HG ARG 77 1HG ARG 77 -2.929 -8.619 -0.271 435 1HD ARG 77 2HD ARG 77 -4.005 -10.481 -1.126 436 2HD ARG 77 1HD ARG 77 -3.949 -9.400 -2.517 437 HE ARG 77 HE ARG 77 -1.700 -10.864 -2.800 438 1HH1 ARG 77 1HH1 ARG 77 -5.041 -11.727 -2.287 439 2HH1 ARG 77 2HH1 ARG 77 -4.915 -13.228 -3.140 440 1HH2 ARG 77 1HH2 ARG 77 -1.532 -12.836 -3.928 441 2HH2 ARG 77 2HH2 ARG 77 -2.924 -13.858 -4.072 442 H VAL 78 H VAL 78 0.253 -5.401 0.029 443 HA VAL 78 HA VAL 78 1.711 -4.333 -2.174 444 HB VAL 78 HB VAL 78 2.923 -4.543 0.555 445 1HG1 VAL 78 1HG1 VAL 78 4.385 -3.275 -0.569 446 2HG1 VAL 78 2HG1 VAL 78 3.209 -1.980 -0.346 447 3HG1 VAL 78 3HG1 VAL 78 3.228 -2.904 -1.847 448 1HG2 VAL 78 1HG2 VAL 78 1.586 -2.242 0.823 449 2HG2 VAL 78 2HG2 VAL 78 0.963 -3.786 1.405 450 3HG2 VAL 78 3HG2 VAL 78 0.414 -3.139 -0.140 451 H MET 79 H MET 79 3.722 -4.889 -2.983 452 HA MET 79 HA MET 79 5.251 -7.057 -1.913 453 1HB MET 79 2HB MET 79 3.206 -8.007 -3.307 454 2HB MET 79 1HB MET 79 4.263 -7.644 -4.665 455 1HG MET 79 2HG MET 79 5.982 -8.955 -3.062 456 2HG MET 79 1HG MET 79 4.468 -9.734 -2.608 457 1HE MET 79 1HE MET 79 7.120 -11.376 -4.740 458 2HE MET 79 2HE MET 79 7.334 -9.651 -4.441 459 3HE MET 79 3HE MET 79 7.101 -10.239 -6.087 460 H ALA 80 H ALA 80 5.561 -4.256 -2.804 461 HA ALA 80 HA ALA 80 8.113 -4.328 -3.837 462 1HB ALA 80 1HB ALA 80 6.203 -4.902 -5.871 463 2HB ALA 80 2HB ALA 80 7.955 -4.756 -6.011 464 3HB ALA 80 3HB ALA 80 6.933 -3.335 -6.213 465 H ILE 81 H ILE 81 8.269 -2.642 -2.350 466 HA ILE 81 HA ILE 81 7.035 -0.103 -3.204 467 HB ILE 81 HB ILE 81 7.957 -0.774 -0.411 468 1HG1 ILE 81 2HG1 ILE 81 5.084 -0.574 -1.281 469 2HG1 ILE 81 1HG1 ILE 81 5.953 -2.108 -1.358 470 1HG2 ILE 81 1HG2 ILE 81 7.752 1.658 -1.372 471 2HG2 ILE 81 2HG2 ILE 81 7.172 1.278 0.248 472 3HG2 ILE 81 3HG2 ILE 81 6.031 1.393 -1.091 473 1HD1 ILE 81 1HD1 ILE 81 4.578 -1.080 0.809 474 2HD1 ILE 81 2HD1 ILE 81 6.277 -0.830 1.212 475 3HD1 ILE 81 3HD1 ILE 81 5.693 -2.447 0.816 476 H ASN 82 H ASN 82 8.452 1.192 -4.145 477 HA ASN 82 HA ASN 82 10.408 2.160 -4.787 478 1HB ASN 82 2HB ASN 82 11.568 3.306 -3.089 479 2HB ASN 82 1HB ASN 82 9.933 3.134 -2.467 480 1HD2 ASN 82 1HD2 ASN 82 9.582 1.991 -0.637 481 2HD2 ASN 82 2HD2 ASN 82 10.845 1.275 0.312 482 H GLY 83 H GLY 83 10.349 -0.799 -4.656 483 1HA GLY 83 2HA GLY 83 12.183 -2.053 -5.648 484 2HA GLY 83 1HA GLY 83 13.270 -1.210 -4.556 485 H ILE 84 H ILE 84 11.895 -1.477 -2.154 486 HA ILE 84 HA ILE 84 12.591 -4.156 -1.449 487 HB ILE 84 HB ILE 84 11.119 -2.146 0.246 488 1HG1 ILE 84 2HG1 ILE 84 13.308 -1.342 -0.820 489 2HG1 ILE 84 1HG1 ILE 84 13.176 -1.222 0.932 490 1HG2 ILE 84 1HG2 ILE 84 12.521 -3.448 2.023 491 2HG2 ILE 84 2HG2 ILE 84 12.548 -4.705 0.788 492 3HG2 ILE 84 3HG2 ILE 84 11.008 -4.120 1.416 493 1HD1 ILE 84 1HD1 ILE 84 14.319 -3.749 0.096 494 2HD1 ILE 84 2HD1 ILE 84 14.932 -2.547 1.233 495 3HD1 ILE 84 3HD1 ILE 84 15.240 -2.364 -0.494 496 HA PRO 85 HA PRO 85 8.364 -5.568 -2.171 497 1HB PRO 85 2HB PRO 85 8.949 -8.102 -2.752 498 2HB PRO 85 1HB PRO 85 9.331 -6.798 -3.883 499 1HG PRO 85 2HG PRO 85 11.134 -8.335 -2.087 500 2HG PRO 85 1HG PRO 85 11.460 -7.640 -3.681 501 1HD PRO 85 2HD PRO 85 12.129 -6.524 -1.166 502 2HD PRO 85 1HD PRO 85 12.252 -5.735 -2.749 503 H THR 86 H THR 86 10.075 -5.703 0.500 504 HA THR 86 HA THR 86 9.841 -6.572 2.589 505 HB THR 86 HB THR 86 7.632 -6.906 3.377 506 HG1 THR 86 1HG THR 86 6.899 -8.456 1.951 507 1HG2 THR 86 1HG2 THR 86 6.318 -5.119 2.458 508 2HG2 THR 86 2HG2 THR 86 7.313 -5.090 1.001 509 3HG2 THR 86 3HG2 THR 86 8.005 -4.616 2.553 510 H GLU 87 H GLU 87 11.214 -8.287 2.657 511 HA GLU 87 HA GLU 87 10.434 -10.841 1.523 512 1HB GLU 87 2HB GLU 87 12.770 -9.992 1.363 513 2HB GLU 87 1HB GLU 87 12.906 -10.129 3.110 514 1HG GLU 87 2HG GLU 87 12.124 -12.621 2.542 515 2HG GLU 87 1HG GLU 87 12.937 -12.222 1.031 516 H ASP 88 H ASP 88 10.081 -12.731 2.677 517 HA ASP 88 HA ASP 88 9.265 -14.017 4.364 518 1HB ASP 88 2HB ASP 88 11.330 -12.331 5.669 519 2HB ASP 88 1HB ASP 88 10.217 -13.184 6.734 520 H SER 89 H SER 89 7.955 -13.975 6.428 521 HA SER 89 HA SER 89 5.863 -12.046 6.133 522 1HB SER 89 2HB SER 89 6.261 -14.145 8.278 523 2HB SER 89 1HB SER 89 4.769 -13.261 7.961 524 HG SER 89 HG SER 89 5.866 -15.403 6.633 525 H THR 90 H THR 90 6.683 -10.022 6.620 526 HA THR 90 HA THR 90 6.770 -9.367 9.412 527 HB THR 90 HB THR 90 9.220 -8.459 7.990 528 HG1 THR 90 1HG THR 90 9.040 -11.031 9.164 529 1HG2 THR 90 1HG2 THR 90 10.239 -8.787 10.200 530 2HG2 THR 90 2HG2 THR 90 8.683 -9.343 10.813 531 3HG2 THR 90 3HG2 THR 90 8.863 -7.685 10.241 532 H PHE 91 H PHE 91 4.994 -8.081 8.779 533 HA PHE 91 HA PHE 91 4.991 -6.194 6.725 534 1HB PHE 91 2HB PHE 91 3.101 -5.176 7.851 535 2HB PHE 91 1HB PHE 91 2.972 -6.927 7.951 536 HD1 PHE 91 1HD PHE 91 3.274 -3.839 9.790 537 HD2 PHE 91 2HD PHE 91 3.481 -8.079 10.087 538 HE1 PHE 91 1HE PHE 91 3.044 -3.674 12.234 539 HE2 PHE 91 2HE PHE 91 3.251 -7.922 12.532 540 HZ PHE 91 HZ PHE 91 3.032 -5.718 13.609 541 H GLU 92 H GLU 92 6.538 -6.137 9.810 542 HA GLU 92 HA GLU 92 6.746 -3.423 10.328 543 1HB GLU 92 2HB GLU 92 7.828 -5.751 11.386 544 2HB GLU 92 1HB GLU 92 9.237 -4.843 10.854 545 1HG GLU 92 2HG GLU 92 8.878 -3.142 12.343 546 2HG GLU 92 1HG GLU 92 7.144 -3.447 12.440 547 H GLU 93 H GLU 93 8.578 -5.435 8.092 548 HA GLU 93 HA GLU 93 10.596 -3.606 7.432 549 1HB GLU 93 2HB GLU 93 10.063 -6.152 6.708 550 2HB GLU 93 1HB GLU 93 9.543 -5.314 5.252 551 1HG GLU 93 2HG GLU 93 11.747 -4.246 5.098 552 2HG GLU 93 1HG GLU 93 12.263 -5.138 6.528 553 H ALA 94 H ALA 94 7.409 -4.166 5.965 554 HA ALA 94 HA ALA 94 7.577 -2.254 3.932 555 1HB ALA 94 1HB ALA 94 5.333 -3.577 5.378 556 2HB ALA 94 2HB ALA 94 5.752 -3.619 3.666 557 3HB ALA 94 3HB ALA 94 4.975 -2.190 4.347 558 H ASN 95 H ASN 95 6.775 -1.983 7.334 559 HA ASN 95 HA ASN 95 5.793 0.658 7.309 560 1HB ASN 95 2HB ASN 95 6.749 -1.255 9.344 561 2HB ASN 95 1HB ASN 95 6.923 0.442 9.783 562 1HD2 ASN 95 1HD2 ASN 95 5.029 -2.013 10.335 563 2HD2 ASN 95 2HD2 ASN 95 3.473 -1.253 10.396 564 H GLN 96 H GLN 96 9.046 -0.681 7.595 565 HA GLN 96 HA GLN 96 10.383 1.707 8.197 566 1HB GLN 96 2HB GLN 96 11.588 -0.500 6.544 567 2HB GLN 96 1HB GLN 96 12.394 0.577 7.675 568 1HG GLN 96 2HG GLN 96 10.560 -1.713 8.306 569 2HG GLN 96 1HG GLN 96 12.275 -1.564 8.678 570 1HE2 GLN 96 1HE2 GLN 96 9.389 -1.574 10.072 571 2HE2 GLN 96 2HE2 GLN 96 9.661 -0.496 11.401 572 H LEU 97 H LEU 97 9.486 0.180 5.156 573 HA LEU 97 HA LEU 97 10.850 1.881 3.399 574 1HB LEU 97 2HB LEU 97 8.146 0.719 2.793 575 2HB LEU 97 1HB LEU 97 9.474 1.018 1.690 576 HG LEU 97 HG LEU 97 9.273 -1.172 3.751 577 1HD1 LEU 97 1HD1 LEU 97 9.491 -1.193 0.746 578 2HD1 LEU 97 2HD1 LEU 97 8.068 -1.609 1.701 579 3HD1 LEU 97 3HD1 LEU 97 9.510 -2.622 1.781 580 1HD2 LEU 97 1HD2 LEU 97 11.525 -1.771 2.449 581 2HD2 LEU 97 2HD2 LEU 97 11.505 -0.828 3.939 582 3HD2 LEU 97 3HD2 LEU 97 11.624 -0.012 2.380 583 H LEU 98 H LEU 98 7.561 2.095 4.721 584 HA LEU 98 HA LEU 98 7.044 4.605 3.430 585 1HB LEU 98 2HB LEU 98 4.899 4.435 4.222 586 2HB LEU 98 1HB LEU 98 5.372 2.749 4.164 587 HG LEU 98 HG LEU 98 6.095 3.375 6.693 588 1HD1 LEU 98 1HD1 LEU 98 4.831 5.644 6.047 589 2HD1 LEU 98 2HD1 LEU 98 4.841 4.973 7.678 590 3HD1 LEU 98 3HD1 LEU 98 3.458 4.696 6.617 591 1HD2 LEU 98 1HD2 LEU 98 4.176 2.137 7.393 592 2HD2 LEU 98 2HD2 LEU 98 4.705 1.473 5.846 593 3HD2 LEU 98 3HD2 LEU 98 3.307 2.546 5.914 594 H ARG 99 H ARG 99 8.340 3.572 6.469 595 HA ARG 99 HA ARG 99 7.934 6.037 7.858 596 1HB ARG 99 2HB ARG 99 9.391 3.497 8.364 597 2HB ARG 99 1HB ARG 99 9.938 4.918 9.245 598 1HG ARG 99 2HG ARG 99 7.337 5.144 9.724 599 2HG ARG 99 1HG ARG 99 7.408 3.399 9.469 600 1HD ARG 99 2HD ARG 99 7.756 3.637 11.762 601 2HD ARG 99 1HD ARG 99 9.382 3.445 11.110 602 HE ARG 99 HE ARG 99 8.542 6.185 11.365 603 1HH1 ARG 99 1HH1 ARG 99 10.027 3.479 12.995 604 2HH1 ARG 99 2HH1 ARG 99 10.868 4.469 14.139 605 1HH2 ARG 99 1HH2 ARG 99 9.647 7.488 12.869 606 2HH2 ARG 99 2HH2 ARG 99 10.653 6.745 14.068 607 H ASP 100 H ASP 100 10.411 4.733 5.774 608 HA ASP 100 HA ASP 100 12.283 6.862 6.403 609 1HB ASP 100 2HB ASP 100 12.372 4.305 4.961 610 2HB ASP 100 1HB ASP 100 13.317 5.584 4.206 611 H SER 101 H SER 101 9.532 6.946 4.764 612 HA SER 101 HA SER 101 10.330 8.071 2.262 613 1HB SER 101 2HB SER 101 7.643 8.603 3.473 614 2HB SER 101 1HB SER 101 8.067 8.275 1.793 615 HG SER 101 HG SER 101 7.008 6.511 2.880 616 H SER 102 H SER 102 10.103 9.283 5.447 617 HA SER 102 HA SER 102 9.408 11.956 5.011 618 1HB SER 102 2HB SER 102 11.291 10.800 7.083 619 2HB SER 102 1HB SER 102 10.582 12.414 7.141 620 HG SER 102 HG SER 102 8.640 11.566 7.566 621 H ILE 103 H ILE 103 12.393 10.233 4.506 622 HA ILE 103 HA ILE 103 14.210 12.336 4.361 623 HB ILE 103 HB ILE 103 14.226 9.869 2.626 624 1HG1 ILE 103 2HG1 ILE 103 14.697 10.264 5.524 625 2HG1 ILE 103 1HG1 ILE 103 14.157 8.841 4.642 626 1HG2 ILE 103 1HG2 ILE 103 16.494 11.572 3.636 627 2HG2 ILE 103 2HG2 ILE 103 15.828 11.624 2.004 628 3HG2 ILE 103 3HG2 ILE 103 16.623 10.161 2.587 629 1HD1 ILE 103 1HD1 ILE 103 16.203 8.180 5.454 630 2HD1 ILE 103 2HD1 ILE 103 16.931 9.767 5.199 631 3HD1 ILE 103 3HD1 ILE 103 16.602 8.716 3.821 632 H THR 104 H THR 104 12.755 10.696 1.547 633 HA THR 104 HA THR 104 13.281 13.013 -0.110 634 HB THR 104 HB THR 104 13.694 10.906 -1.142 635 HG1 THR 104 1HG THR 104 12.611 11.257 -2.950 636 1HG2 THR 104 1HG2 THR 104 11.199 10.098 0.136 637 2HG2 THR 104 2HG2 THR 104 12.598 9.137 -0.344 638 3HG2 THR 104 3HG2 THR 104 11.366 9.557 -1.533 639 H SER 105 H SER 105 10.877 12.228 2.007 640 HA SER 105 HA SER 105 8.806 13.059 2.414 641 1HB SER 105 2HB SER 105 8.978 14.922 0.078 642 2HB SER 105 1HB SER 105 8.308 15.200 1.685 643 HG SER 105 HG SER 105 10.590 16.016 0.909 644 H LYS 106 H LYS 106 9.383 10.981 0.238 645 HA LYS 106 HA LYS 106 6.640 10.748 -0.620 646 1HB LYS 106 2HB LYS 106 8.678 11.785 -2.406 647 2HB LYS 106 1HB LYS 106 7.972 10.302 -3.035 648 1HG LYS 106 2HG LYS 106 5.843 11.893 -2.091 649 2HG LYS 106 1HG LYS 106 6.903 12.942 -3.034 650 1HD LYS 106 2HD LYS 106 6.813 10.771 -4.638 651 2HD LYS 106 1HD LYS 106 5.217 10.680 -3.892 652 1HE LYS 106 2HE LYS 106 4.463 12.386 -5.108 653 2HE LYS 106 1HE LYS 106 5.856 13.383 -4.693 654 1HZ LYS 106 1HZ LYS 106 7.086 12.492 -6.482 655 2HZ LYS 106 2HZ LYS 106 5.565 12.881 -7.114 656 3HZ LYS 106 3HZ LYS 106 5.950 11.270 -6.768 657 H VAL 107 H VAL 107 6.115 8.692 -1.476 658 HA VAL 107 HA VAL 107 8.182 6.634 -1.408 659 HB VAL 107 HB VAL 107 7.299 6.716 0.891 660 1HG1 VAL 107 1HG1 VAL 107 5.119 6.733 1.435 661 2HG1 VAL 107 2HG1 VAL 107 4.688 5.590 0.163 662 3HG1 VAL 107 3HG1 VAL 107 4.900 7.299 -0.221 663 1HG2 VAL 107 1HG2 VAL 107 6.540 4.288 0.975 664 2HG2 VAL 107 2HG2 VAL 107 8.110 4.608 0.240 665 3HG2 VAL 107 3HG2 VAL 107 6.705 4.293 -0.779 666 H THR 108 H THR 108 7.736 4.851 -2.668 667 HA THR 108 HA THR 108 5.216 4.951 -4.195 668 HB THR 108 HB THR 108 6.980 3.526 -5.773 669 HG1 THR 108 1HG THR 108 8.357 5.742 -4.661 670 1HG2 THR 108 1HG2 THR 108 6.495 5.055 -7.317 671 2HG2 THR 108 2HG2 THR 108 7.049 6.392 -6.309 672 3HG2 THR 108 3HG2 THR 108 5.425 5.735 -6.091 673 H LEU 109 H LEU 109 3.923 3.271 -3.856 674 HA LEU 109 HA LEU 109 5.147 0.715 -3.040 675 1HB LEU 109 2HB LEU 109 2.713 0.444 -1.997 676 2HB LEU 109 1HB LEU 109 4.045 1.167 -1.115 677 HG LEU 109 HG LEU 109 2.214 2.915 -2.705 678 1HD1 LEU 109 1HD1 LEU 109 0.849 1.365 -1.260 679 2HD1 LEU 109 2HD1 LEU 109 0.655 3.089 -0.937 680 3HD1 LEU 109 3HD1 LEU 109 1.647 2.096 0.131 681 1HD2 LEU 109 1HD2 LEU 109 4.426 3.556 -1.456 682 2HD2 LEU 109 2HD2 LEU 109 3.383 3.534 -0.035 683 3HD2 LEU 109 3HD2 LEU 109 3.016 4.611 -1.382 684 H GLU 110 H GLU 110 4.615 -1.058 -4.146 685 HA GLU 110 HA GLU 110 2.560 -0.799 -6.237 686 1HB GLU 110 2HB GLU 110 4.918 -2.687 -6.063 687 2HB GLU 110 1HB GLU 110 3.729 -2.676 -7.358 688 1HG GLU 110 2HG GLU 110 4.462 -0.608 -8.169 689 2HG GLU 110 1HG GLU 110 5.353 -0.248 -6.691 690 H ILE 111 H ILE 111 0.692 -1.558 -5.418 691 HA ILE 111 HA ILE 111 0.763 -4.058 -3.894 692 HB ILE 111 HB ILE 111 -1.352 -3.419 -2.952 693 1HG1 ILE 111 2HG1 ILE 111 -2.081 -2.097 -5.013 694 2HG1 ILE 111 1HG1 ILE 111 -2.557 -1.466 -3.441 695 1HG2 ILE 111 1HG2 ILE 111 0.467 -1.053 -2.693 696 2HG2 ILE 111 2HG2 ILE 111 0.832 -2.625 -1.984 697 3HG2 ILE 111 3HG2 ILE 111 -0.606 -1.741 -1.476 698 1HD1 ILE 111 1HD1 ILE 111 -1.818 0.465 -4.292 699 2HD1 ILE 111 2HD1 ILE 111 -0.787 -0.326 -5.481 700 3HD1 ILE 111 3HD1 ILE 111 -0.234 -0.145 -3.819 701 H GLU 112 H GLU 112 -1.147 -5.453 -4.115 702 HA GLU 112 HA GLU 112 -2.122 -5.511 -6.895 703 1HB GLU 112 2HB GLU 112 -0.570 -7.393 -6.038 704 2HB GLU 112 1HB GLU 112 -1.958 -7.922 -5.098 705 1HG GLU 112 2HG GLU 112 -3.254 -8.208 -7.131 706 2HG GLU 112 1HG GLU 112 -1.897 -7.621 -8.091 707 H PHE 113 H PHE 113 -4.231 -5.136 -7.105 708 HA PHE 113 HA PHE 113 -5.960 -5.588 -4.765 709 1HB PHE 113 2HB PHE 113 -7.353 -3.792 -5.521 710 2HB PHE 113 1HB PHE 113 -5.688 -3.220 -5.558 711 HD1 PHE 113 1HD PHE 113 -8.592 -4.157 -7.555 712 HD2 PHE 113 2HD PHE 113 -4.563 -2.793 -7.660 713 HE1 PHE 113 1HE PHE 113 -8.866 -3.543 -9.919 714 HE2 PHE 113 2HE PHE 113 -4.831 -2.173 -10.025 715 HZ PHE 113 HZ PHE 113 -6.986 -2.553 -11.159 716 H ASP 114 H ASP 114 -7.833 -6.697 -4.943 717 HA ASP 114 HA ASP 114 -8.180 -8.319 -7.335 718 1HB ASP 114 2HB ASP 114 -9.498 -8.419 -4.615 719 2HB ASP 114 1HB ASP 114 -9.881 -9.518 -5.937 720 H VAL 115 H VAL 115 -10.419 -8.656 -8.174 721 HA VAL 115 HA VAL 115 -12.193 -6.367 -7.789 722 HB VAL 115 HB VAL 115 -12.318 -5.770 -10.066 723 1HG1 VAL 115 1HG1 VAL 115 -10.418 -4.781 -9.005 724 2HG1 VAL 115 2HG1 VAL 115 -9.937 -5.235 -10.637 725 3HG1 VAL 115 3HG1 VAL 115 -9.447 -6.228 -9.268 726 1HG2 VAL 115 1HG2 VAL 115 -12.282 -8.025 -11.027 727 2HG2 VAL 115 2HG2 VAL 115 -10.554 -8.139 -10.695 728 3HG2 VAL 115 3HG2 VAL 115 -11.152 -6.960 -11.859 729 H ALA 116 H ALA 116 -13.951 -6.804 -9.833 730 HA ALA 116 HA ALA 116 -15.087 -9.402 -9.099 731 1HB ALA 116 1HB ALA 116 -16.501 -7.541 -8.506 732 2HB ALA 116 2HB ALA 116 -17.251 -8.445 -9.821 733 3HB ALA 116 3HB ALA 116 -16.429 -6.920 -10.155 734 H GLU 117 H GLU 117 -14.371 -10.853 -10.558 735 HA GLU 117 HA GLU 117 -13.813 -10.344 -13.255 736 1HB GLU 117 2HB GLU 117 -14.684 -13.025 -12.194 737 2HB GLU 117 1HB GLU 117 -13.574 -12.689 -13.516 738 1HG GLU 117 2HG GLU 117 -12.084 -11.603 -11.743 739 2HG GLU 117 1HG GLU 117 -13.112 -12.427 -10.568 740 H SER 118 H SER 118 -15.479 -9.244 -14.258 741 HA SER 118 HA SER 118 -18.158 -10.328 -14.277 742 1HB SER 118 2HB SER 118 -17.211 -7.797 -14.522 743 2HB SER 118 1HB SER 118 -17.448 -8.210 -16.220 744 HG SER 118 HG SER 118 -19.617 -8.937 -15.471 Start of MODEL 6 1 1H GLN 18 1HT GLN 18 -10.086 -11.445 -18.066 2 2H GLN 18 2HT GLN 18 -11.221 -11.911 -19.267 3 3H GLN 18 3HT GLN 18 -11.714 -10.923 -17.952 4 HA GLN 18 HA GLN 18 -9.959 -10.241 -20.203 5 1HB GLN 18 2HB GLN 18 -12.642 -9.351 -19.162 6 2HB GLN 18 1HB GLN 18 -11.710 -8.353 -20.271 7 1HG GLN 18 2HG GLN 18 -12.162 -9.659 -22.039 8 2HG GLN 18 1HG GLN 18 -12.059 -11.148 -21.099 9 1HE2 GLN 18 1HE2 GLN 18 -14.092 -8.332 -20.506 10 2HE2 GLN 18 2HE2 GLN 18 -15.605 -9.156 -20.705 11 H VAL 19 H VAL 19 -8.188 -9.973 -18.642 12 HA VAL 19 HA VAL 19 -6.995 -8.871 -17.006 13 HB VAL 19 HB VAL 19 -6.644 -7.733 -19.205 14 1HG1 VAL 19 1HG1 VAL 19 -8.991 -6.680 -19.131 15 2HG1 VAL 19 2HG1 VAL 19 -7.657 -5.720 -19.768 16 3HG1 VAL 19 3HG1 VAL 19 -8.240 -5.439 -18.128 17 1HG2 VAL 19 1HG2 VAL 19 -6.336 -5.731 -17.008 18 2HG2 VAL 19 2HG2 VAL 19 -5.215 -6.154 -18.303 19 3HG2 VAL 19 3HG2 VAL 19 -5.459 -7.261 -16.951 20 H VAL 20 H VAL 20 -9.398 -9.302 -15.822 21 HA VAL 20 HA VAL 20 -9.839 -6.777 -14.376 22 HB VAL 20 HB VAL 20 -11.930 -8.746 -15.294 23 1HG1 VAL 20 1HG1 VAL 20 -12.454 -8.294 -12.998 24 2HG1 VAL 20 2HG1 VAL 20 -13.557 -7.361 -14.008 25 3HG1 VAL 20 3HG1 VAL 20 -12.191 -6.567 -13.226 26 1HG2 VAL 20 1HG2 VAL 20 -10.980 -6.470 -16.476 27 2HG2 VAL 20 2HG2 VAL 20 -12.387 -5.876 -15.593 28 3HG2 VAL 20 3HG2 VAL 20 -12.569 -7.183 -16.762 29 H HIS 21 H HIS 21 -10.547 -6.996 -12.195 30 HA HIS 21 HA HIS 21 -10.479 -7.832 -10.097 31 1HB HIS 21 2HB HIS 21 -11.243 -10.143 -11.752 32 2HB HIS 21 1HB HIS 21 -10.571 -10.552 -10.175 33 HD1 HIS 21 1HD HIS 21 -11.882 -9.619 -8.072 34 HD2 HIS 21 2HD HIS 21 -13.823 -9.183 -11.720 35 HE1 HIS 21 1HE HIS 21 -14.280 -9.117 -7.502 36 HE2 HIS 21 2HE HIS 21 -15.416 -8.772 -9.724 37 H THR 22 H THR 22 -8.022 -7.170 -11.158 38 HA THR 22 HA THR 22 -6.175 -7.960 -9.454 39 HB THR 22 HB THR 22 -6.644 -10.243 -11.300 40 HG1 THR 22 1HG THR 22 -6.003 -11.361 -9.410 41 1HG2 THR 22 1HG2 THR 22 -3.909 -9.322 -10.536 42 2HG2 THR 22 2HG2 THR 22 -4.480 -10.005 -12.058 43 3HG2 THR 22 3HG2 THR 22 -4.273 -11.044 -10.649 44 H GLU 23 H GLU 23 -5.074 -6.171 -9.917 45 HA GLU 23 HA GLU 23 -3.472 -6.159 -12.340 46 1HB GLU 23 2HB GLU 23 -4.811 -3.577 -11.665 47 2HB GLU 23 1HB GLU 23 -4.139 -4.114 -13.192 48 1HG GLU 23 2HG GLU 23 -6.523 -5.551 -12.178 49 2HG GLU 23 1HG GLU 23 -6.744 -3.909 -12.767 50 H THR 24 H THR 24 -1.598 -4.890 -12.178 51 HA THR 24 HA THR 24 -0.774 -4.384 -9.435 52 HB THR 24 HB THR 24 1.470 -3.929 -10.568 53 HG1 THR 24 1HG THR 24 0.245 -5.178 -12.789 54 1HG2 THR 24 1HG2 THR 24 1.711 -6.407 -11.310 55 2HG2 THR 24 2HG2 THR 24 0.102 -6.575 -10.607 56 3HG2 THR 24 3HG2 THR 24 1.446 -6.012 -9.613 57 H THR 25 H THR 25 -0.694 -2.415 -8.552 58 HA THR 25 HA THR 25 -0.979 -0.105 -10.359 59 HB THR 25 HB THR 25 -2.900 0.135 -9.175 60 HG1 THR 25 1HG THR 25 -1.734 1.906 -8.458 61 1HG2 THR 25 1HG2 THR 25 -1.607 -1.401 -6.950 62 2HG2 THR 25 2HG2 THR 25 -2.949 -1.886 -7.981 63 3HG2 THR 25 3HG2 THR 25 -3.172 -0.606 -6.788 64 H GLU 26 H GLU 26 0.066 1.822 -9.831 65 HA GLU 26 HA GLU 26 2.393 1.518 -8.048 66 1HB GLU 26 2HB GLU 26 2.249 2.247 -10.838 67 2HB GLU 26 1HB GLU 26 2.927 3.576 -9.906 68 1HG GLU 26 2HG GLU 26 4.333 1.543 -8.872 69 2HG GLU 26 1HG GLU 26 4.029 0.905 -10.487 70 H VAL 27 H VAL 27 1.639 2.510 -6.249 71 HA VAL 27 HA VAL 27 0.377 5.134 -6.528 72 HB VAL 27 HB VAL 27 0.205 4.541 -3.869 73 1HG1 VAL 27 1HG1 VAL 27 -1.902 3.487 -5.685 74 2HG1 VAL 27 2HG1 VAL 27 -1.514 5.206 -5.732 75 3HG1 VAL 27 3HG1 VAL 27 -2.059 4.466 -4.228 76 1HG2 VAL 27 1HG2 VAL 27 -0.310 1.932 -5.273 77 2HG2 VAL 27 2HG2 VAL 27 -0.392 2.268 -3.545 78 3HG2 VAL 27 3HG2 VAL 27 1.166 2.269 -4.370 79 H VAL 28 H VAL 28 1.367 6.937 -5.933 80 HA VAL 28 HA VAL 28 3.973 6.715 -4.592 81 HB VAL 28 HB VAL 28 2.900 9.096 -6.108 82 1HG1 VAL 28 1HG1 VAL 28 5.509 8.403 -4.837 83 2HG1 VAL 28 2HG1 VAL 28 4.604 9.915 -4.797 84 3HG1 VAL 28 3HG1 VAL 28 5.484 9.452 -6.254 85 1HG2 VAL 28 1HG2 VAL 28 4.817 8.128 -7.725 86 2HG2 VAL 28 2HG2 VAL 28 3.108 7.728 -7.895 87 3HG2 VAL 28 3HG2 VAL 28 4.193 6.619 -7.059 88 H LEU 29 H LEU 29 3.900 7.102 -2.473 89 HA LEU 29 HA LEU 29 1.866 8.941 -1.440 90 1HB LEU 29 2HB LEU 29 3.006 6.465 -0.510 91 2HB LEU 29 1HB LEU 29 3.211 7.714 0.702 92 HG LEU 29 HG LEU 29 1.174 6.569 1.180 93 1HD1 LEU 29 1HD1 LEU 29 0.040 8.952 -0.169 94 2HD1 LEU 29 2HD1 LEU 29 1.313 9.217 1.022 95 3HD1 LEU 29 3HD1 LEU 29 -0.167 8.376 1.485 96 1HD2 LEU 29 1HD2 LEU 29 -0.650 6.880 -0.753 97 2HD2 LEU 29 2HD2 LEU 29 0.375 5.452 -0.620 98 3HD2 LEU 29 3HD2 LEU 29 0.800 6.740 -1.747 99 H THR 30 H THR 30 2.414 10.903 -0.785 100 HA THR 30 HA THR 30 5.261 11.500 -0.390 101 HB THR 30 HB THR 30 2.972 13.382 -0.987 102 HG1 THR 30 1HG THR 30 4.012 13.518 -3.033 103 1HG2 THR 30 1HG2 THR 30 5.784 14.166 -1.433 104 2HG2 THR 30 2HG2 THR 30 5.193 14.172 0.229 105 3HG2 THR 30 3HG2 THR 30 4.382 15.145 -0.999 106 H ALA 31 H ALA 31 5.897 11.613 1.652 107 HA ALA 31 HA ALA 31 4.243 11.629 3.885 108 1HB ALA 31 1HB ALA 31 6.450 10.895 4.198 109 2HB ALA 31 2HB ALA 31 6.344 12.405 5.104 110 3HB ALA 31 3HB ALA 31 7.129 12.376 3.526 111 H ASP 32 H ASP 32 3.434 13.185 5.226 112 HA ASP 32 HA ASP 32 3.467 15.918 4.178 113 1HB ASP 32 2HB ASP 32 1.567 14.345 5.862 114 2HB ASP 32 1HB ASP 32 1.600 16.095 6.054 115 HA PRO 33 HA PRO 33 5.868 17.421 7.559 116 1HB PRO 33 2HB PRO 33 4.487 19.957 7.633 117 2HB PRO 33 1HB PRO 33 6.062 19.582 6.932 118 1HG PRO 33 2HG PRO 33 3.854 20.263 5.461 119 2HG PRO 33 1HG PRO 33 5.199 19.291 4.839 120 1HD PRO 33 2HD PRO 33 2.517 18.409 5.826 121 2HD PRO 33 1HD PRO 33 3.473 17.804 4.455 122 H VAL 34 H VAL 34 2.607 16.833 7.932 123 HA VAL 34 HA VAL 34 2.559 17.800 10.705 124 HB VAL 34 HB VAL 34 0.232 16.710 9.124 125 1HG1 VAL 34 1HG1 VAL 34 -0.232 16.607 11.435 126 2HG1 VAL 34 2HG1 VAL 34 -1.038 18.062 10.848 127 3HG1 VAL 34 3HG1 VAL 34 0.484 18.192 11.728 128 1HG2 VAL 34 1HG2 VAL 34 1.491 19.379 9.118 129 2HG2 VAL 34 2HG2 VAL 34 -0.266 19.350 9.257 130 3HG2 VAL 34 3HG2 VAL 34 0.523 18.576 7.882 131 H THR 35 H THR 35 1.199 14.978 8.991 132 HA THR 35 HA THR 35 1.885 13.340 11.333 133 HB THR 35 HB THR 35 0.241 11.707 10.308 134 HG1 THR 35 1HG THR 35 -1.078 12.449 8.696 135 1HG2 THR 35 1HG2 THR 35 -0.406 13.237 12.141 136 2HG2 THR 35 2HG2 THR 35 -1.733 12.825 11.055 137 3HG2 THR 35 3HG2 THR 35 -0.946 14.398 10.927 138 H GLY 36 H GLY 36 1.437 12.613 7.872 139 1HA GLY 36 2HA GLY 36 3.873 12.121 6.927 140 2HA GLY 36 1HA GLY 36 3.672 10.749 8.007 141 H PHE 37 H PHE 37 1.642 9.457 7.656 142 HA PHE 37 HA PHE 37 0.652 9.522 4.915 143 1HB PHE 37 2HB PHE 37 2.080 7.150 6.126 144 2HB PHE 37 1HB PHE 37 1.096 7.060 4.668 145 HD1 PHE 37 1HD PHE 37 4.334 7.173 5.733 146 HD2 PHE 37 2HD PHE 37 1.746 9.130 2.978 147 HE1 PHE 37 1HE PHE 37 6.280 7.840 4.383 148 HE2 PHE 37 2HE PHE 37 3.685 9.796 1.624 149 HZ PHE 37 HZ PHE 37 5.957 9.156 2.323 150 H GLY 38 H GLY 38 0.545 7.913 8.078 151 1HA GLY 38 2HA GLY 38 -1.271 7.330 9.368 152 2HA GLY 38 1HA GLY 38 -2.293 8.180 8.220 153 H ILE 39 H ILE 39 -0.163 5.636 7.164 154 HA ILE 39 HA ILE 39 -2.489 3.844 6.893 155 HB ILE 39 HB ILE 39 -1.931 4.769 4.707 156 1HG1 ILE 39 2HG1 ILE 39 -0.810 2.070 4.344 157 2HG1 ILE 39 1HG1 ILE 39 -2.293 2.121 5.297 158 1HG2 ILE 39 1HG2 ILE 39 0.444 5.257 5.220 159 2HG2 ILE 39 2HG2 ILE 39 0.206 4.459 3.665 160 3HG2 ILE 39 3HG2 ILE 39 0.795 3.537 5.048 161 1HD1 ILE 39 1HD1 ILE 39 -2.749 3.773 3.086 162 2HD1 ILE 39 2HD1 ILE 39 -3.427 2.176 3.401 163 3HD1 ILE 39 3HD1 ILE 39 -1.940 2.334 2.465 164 H GLN 40 H GLN 40 -2.231 1.836 7.653 165 HA GLN 40 HA GLN 40 0.495 0.980 8.375 166 1HB GLN 40 2HB GLN 40 -2.010 1.025 9.890 167 2HB GLN 40 1HB GLN 40 -1.193 -0.531 9.945 168 1HG GLN 40 2HG GLN 40 0.233 0.234 11.444 169 2HG GLN 40 1HG GLN 40 0.739 1.517 10.345 170 1HE2 GLN 40 1HE2 GLN 40 -0.942 3.349 10.212 171 2HE2 GLN 40 2HE2 GLN 40 -1.542 3.917 11.736 172 H LEU 41 H LEU 41 1.066 -1.180 8.074 173 HA LEU 41 HA LEU 41 -0.757 -2.738 6.361 174 1HB LEU 41 2HB LEU 41 2.216 -3.016 6.170 175 2HB LEU 41 1HB LEU 41 0.990 -3.403 4.979 176 HG LEU 41 HG LEU 41 0.596 -0.840 4.887 177 1HD1 LEU 41 1HD1 LEU 41 1.806 0.113 6.572 178 2HD1 LEU 41 2HD1 LEU 41 2.979 0.220 5.258 179 3HD1 LEU 41 3HD1 LEU 41 3.110 -1.068 6.456 180 1HD2 LEU 41 1HD2 LEU 41 1.796 -2.486 3.240 181 2HD2 LEU 41 2HD2 LEU 41 3.244 -1.632 3.770 182 3HD2 LEU 41 3HD2 LEU 41 1.922 -0.742 3.015 183 H GLN 42 H GLN 42 -1.369 -4.591 7.248 184 HA GLN 42 HA GLN 42 -0.020 -5.606 9.593 185 1HB GLN 42 2HB GLN 42 -2.477 -6.500 8.088 186 2HB GLN 42 1HB GLN 42 -1.847 -7.360 9.487 187 1HG GLN 42 2HG GLN 42 -1.991 -4.879 10.504 188 2HG GLN 42 1HG GLN 42 -3.303 -4.804 9.326 189 1HE2 GLN 42 1HE2 GLN 42 -4.805 -6.721 9.393 190 2HE2 GLN 42 2HE2 GLN 42 -5.266 -7.295 10.962 191 H GLY 43 H GLY 43 1.126 -7.489 9.777 192 1HA GLY 43 2HA GLY 43 2.239 -8.542 7.318 193 2HA GLY 43 1HA GLY 43 2.749 -8.940 8.951 194 H SER 44 H SER 44 -0.566 -9.222 8.803 195 HA SER 44 HA SER 44 -0.412 -12.070 8.072 196 1HB SER 44 2HB SER 44 -0.571 -12.126 10.425 197 2HB SER 44 1HB SER 44 -1.714 -10.786 10.465 198 HG SER 44 HG SER 44 -2.557 -13.015 10.760 199 H VAL 45 H VAL 45 -2.721 -12.983 7.789 200 HA VAL 45 HA VAL 45 -4.387 -11.009 6.392 201 HB VAL 45 HB VAL 45 -3.035 -12.607 4.905 202 1HG1 VAL 45 1HG1 VAL 45 -4.013 -14.789 4.492 203 2HG1 VAL 45 2HG1 VAL 45 -5.194 -14.518 5.772 204 3HG1 VAL 45 3HG1 VAL 45 -3.481 -14.652 6.168 205 1HG2 VAL 45 1HG2 VAL 45 -5.317 -11.261 4.500 206 2HG2 VAL 45 2HG2 VAL 45 -5.882 -12.903 4.192 207 3HG2 VAL 45 3HG2 VAL 45 -4.539 -12.242 3.259 208 H PHE 46 H PHE 46 -4.292 -14.147 7.915 209 HA PHE 46 HA PHE 46 -6.802 -13.654 9.252 210 1HB PHE 46 2HB PHE 46 -6.959 -14.909 6.803 211 2HB PHE 46 1HB PHE 46 -6.925 -16.262 7.926 212 HD1 PHE 46 1HD PHE 46 -8.641 -13.010 7.353 213 HD2 PHE 46 2HD PHE 46 -8.885 -16.955 8.930 214 HE1 PHE 46 1HE PHE 46 -11.033 -12.670 7.820 215 HE2 PHE 46 2HE PHE 46 -11.277 -16.624 9.401 216 HZ PHE 46 HZ PHE 46 -12.354 -14.479 8.845 217 H ALA 47 H ALA 47 -4.154 -14.021 10.161 218 HA ALA 47 HA ALA 47 -4.294 -16.662 11.457 219 1HB ALA 47 1HB ALA 47 -1.890 -16.451 11.852 220 2HB ALA 47 2HB ALA 47 -1.898 -14.873 11.065 221 3HB ALA 47 3HB ALA 47 -2.272 -16.324 10.135 222 H THR 48 H THR 48 -5.497 -16.285 13.256 223 HA THR 48 HA THR 48 -5.480 -13.985 14.812 224 HB THR 48 HB THR 48 -6.521 -15.388 16.572 225 HG1 THR 48 1HG THR 48 -5.316 -17.289 16.194 226 1HG2 THR 48 1HG2 THR 48 -7.594 -16.056 13.842 227 2HG2 THR 48 2HG2 THR 48 -7.912 -14.557 14.716 228 3HG2 THR 48 3HG2 THR 48 -8.475 -16.095 15.370 229 H GLU 49 H GLU 49 -3.188 -16.496 14.609 230 HA GLU 49 HA GLU 49 -1.689 -15.303 16.830 231 1HB GLU 49 2HB GLU 49 -1.979 -18.280 16.374 232 2HB GLU 49 1HB GLU 49 -0.988 -17.516 17.609 233 1HG GLU 49 2HG GLU 49 -3.891 -16.893 17.539 234 2HG GLU 49 1HG GLU 49 -3.375 -18.463 18.152 235 H THR 50 H THR 50 0.532 -15.263 16.568 236 HA THR 50 HA THR 50 2.501 -15.179 15.433 237 HB THR 50 HB THR 50 1.526 -17.589 13.928 238 HG1 THR 50 1HG THR 50 1.284 -17.846 16.212 239 1HG2 THR 50 1HG2 THR 50 3.566 -17.071 13.001 240 2HG2 THR 50 2HG2 THR 50 4.009 -18.197 14.284 241 3HG2 THR 50 3HG2 THR 50 4.218 -16.463 14.520 242 H LEU 51 H LEU 51 3.492 -14.884 13.240 243 HA LEU 51 HA LEU 51 1.899 -13.112 11.708 244 1HB LEU 51 2HB LEU 51 4.308 -12.832 11.888 245 2HB LEU 51 1HB LEU 51 4.571 -14.372 11.093 246 HG LEU 51 HG LEU 51 3.289 -13.304 9.100 247 1HD1 LEU 51 1HD1 LEU 51 2.461 -11.331 10.168 248 2HD1 LEU 51 2HD1 LEU 51 3.675 -10.840 8.985 249 3HD1 LEU 51 3HD1 LEU 51 4.080 -10.876 10.700 250 1HD2 LEU 51 1HD2 LEU 51 5.834 -13.799 9.484 251 2HD2 LEU 51 2HD2 LEU 51 5.951 -12.042 9.560 252 3HD2 LEU 51 3HD2 LEU 51 5.304 -12.821 8.116 253 H SER 52 H SER 52 1.222 -13.297 9.538 254 HA SER 52 HA SER 52 0.763 -16.074 8.673 255 1HB SER 52 2HB SER 52 -1.158 -14.277 9.307 256 2HB SER 52 1HB SER 52 -0.971 -13.931 7.587 257 HG SER 52 HG SER 52 -2.527 -15.572 7.997 258 H SER 53 H SER 53 -0.250 -15.323 6.105 259 HA SER 53 HA SER 53 1.993 -15.457 4.520 260 1HB SER 53 2HB SER 53 -0.247 -13.971 3.306 261 2HB SER 53 1HB SER 53 0.529 -15.467 2.787 262 HG SER 53 HG SER 53 -1.290 -16.290 3.485 263 HA PRO 54 HA PRO 54 3.966 -11.606 3.639 264 1HB PRO 54 2HB PRO 54 2.216 -11.194 1.243 265 2HB PRO 54 1HB PRO 54 3.967 -11.001 1.400 266 1HG PRO 54 2HG PRO 54 2.952 -13.173 0.252 267 2HG PRO 54 1HG PRO 54 4.361 -13.288 1.322 268 1HD PRO 54 2HD PRO 54 1.542 -14.087 1.809 269 2HD PRO 54 1HD PRO 54 3.040 -14.769 2.471 270 HA PRO 55 HA PRO 55 1.540 -8.432 5.512 271 1HB PRO 55 2HB PRO 55 3.087 -6.485 3.899 272 2HB PRO 55 1HB PRO 55 2.906 -6.602 5.651 273 1HG PRO 55 2HG PRO 55 5.180 -7.319 4.447 274 2HG PRO 55 1HG PRO 55 4.558 -8.210 5.849 275 1HD PRO 55 2HD PRO 55 4.483 -8.937 2.953 276 2HD PRO 55 1HD PRO 55 4.733 -9.974 4.373 277 H LEU 56 H LEU 56 0.387 -6.301 4.886 278 HA LEU 56 HA LEU 56 -0.390 -5.775 2.249 279 1HB LEU 56 2HB LEU 56 -2.721 -6.663 2.343 280 2HB LEU 56 1HB LEU 56 -1.478 -7.891 2.203 281 HG LEU 56 HG LEU 56 -2.419 -7.225 4.940 282 1HD1 LEU 56 1HD1 LEU 56 -4.372 -8.596 4.777 283 2HD1 LEU 56 2HD1 LEU 56 -4.033 -8.964 3.086 284 3HD1 LEU 56 3HD1 LEU 56 -4.484 -7.326 3.557 285 1HD2 LEU 56 1HD2 LEU 56 -1.364 -9.586 3.450 286 2HD2 LEU 56 2HD2 LEU 56 -2.296 -9.831 4.928 287 3HD2 LEU 56 3HD2 LEU 56 -0.815 -8.876 4.969 288 H ILE 57 H ILE 57 -1.603 -3.922 2.130 289 HA ILE 57 HA ILE 57 -1.758 -2.291 4.424 290 HB ILE 57 HB ILE 57 -3.203 -1.921 1.796 291 1HG1 ILE 57 2HG1 ILE 57 -0.637 -0.561 2.540 292 2HG1 ILE 57 1HG1 ILE 57 -0.598 -2.192 1.875 293 1HG2 ILE 57 1HG2 ILE 57 -4.036 -0.534 3.673 294 2HG2 ILE 57 2HG2 ILE 57 -3.322 0.413 2.368 295 3HG2 ILE 57 3HG2 ILE 57 -2.415 0.134 3.855 296 1HD1 ILE 57 1HD1 ILE 57 -1.140 0.366 0.569 297 2HD1 ILE 57 2HD1 ILE 57 -2.227 -0.941 0.109 298 3HD1 ILE 57 3HD1 ILE 57 -0.486 -1.133 -0.088 299 H SER 58 H SER 58 -3.364 -1.886 5.848 300 HA SER 58 HA SER 58 -6.098 -2.590 5.306 301 1HB SER 58 2HB SER 58 -4.939 -4.763 6.001 302 2HB SER 58 1HB SER 58 -4.790 -4.043 7.604 303 HG SER 58 HG SER 58 -7.184 -4.557 6.170 304 H TYR 59 H TYR 59 -4.917 -0.154 5.908 305 HA TYR 59 HA TYR 59 -6.526 0.721 8.055 306 1HB TYR 59 2HB TYR 59 -4.694 -0.389 9.346 307 2HB TYR 59 1HB TYR 59 -3.564 0.764 8.646 308 HD1 TYR 59 1HD TYR 59 -6.527 0.449 10.841 309 HD2 TYR 59 2HD TYR 59 -3.349 2.953 9.527 310 HE1 TYR 59 1HE TYR 59 -7.045 2.040 12.641 311 HE2 TYR 59 2HE TYR 59 -3.858 4.552 11.326 312 HH TYR 59 HH TYR 59 -6.722 4.351 13.208 313 H ILE 60 H ILE 60 -6.900 2.848 7.909 314 HA ILE 60 HA ILE 60 -4.990 4.635 6.658 315 HB ILE 60 HB ILE 60 -7.682 4.902 5.469 316 1HG1 ILE 60 2HG1 ILE 60 -5.789 2.746 4.502 317 2HG1 ILE 60 1HG1 ILE 60 -7.288 2.437 5.372 318 1HG2 ILE 60 1HG2 ILE 60 -5.864 6.423 4.927 319 2HG2 ILE 60 2HG2 ILE 60 -6.352 5.509 3.499 320 3HG2 ILE 60 3HG2 ILE 60 -4.880 5.072 4.367 321 1HD1 ILE 60 1HD1 ILE 60 -8.601 3.023 3.585 322 2HD1 ILE 60 2HD1 ILE 60 -7.215 2.288 2.780 323 3HD1 ILE 60 3HD1 ILE 60 -7.355 4.044 2.866 324 H GLU 61 H GLU 61 -5.496 6.880 7.019 325 HA GLU 61 HA GLU 61 -7.246 7.220 9.342 326 1HB GLU 61 2HB GLU 61 -4.697 8.232 8.640 327 2HB GLU 61 1HB GLU 61 -5.797 9.604 8.674 328 1HG GLU 61 2HG GLU 61 -5.728 9.643 10.879 329 2HG GLU 61 1HG GLU 61 -6.306 7.978 10.952 330 H ALA 62 H ALA 62 -8.653 9.027 9.512 331 HA ALA 62 HA ALA 62 -10.029 9.567 7.022 332 1HB ALA 62 1HB ALA 62 -10.926 9.093 9.523 333 2HB ALA 62 2HB ALA 62 -11.864 9.921 8.279 334 3HB ALA 62 3HB ALA 62 -10.983 10.856 9.488 335 H ASP 63 H ASP 63 -7.532 10.723 7.057 336 HA ASP 63 HA ASP 63 -7.917 13.257 6.138 337 1HB ASP 63 2HB ASP 63 -6.925 14.604 8.093 338 2HB ASP 63 1HB ASP 63 -8.618 14.138 8.206 339 H SER 64 H SER 64 -6.267 10.899 5.806 340 HA SER 64 HA SER 64 -3.611 12.162 5.962 341 1HB SER 64 2HB SER 64 -4.372 9.824 7.242 342 2HB SER 64 1HB SER 64 -3.553 9.247 5.792 343 HG SER 64 HG SER 64 -2.462 11.204 7.527 344 HA PRO 65 HA PRO 65 -3.199 12.080 1.574 345 1HB PRO 65 2HB PRO 65 -0.640 10.646 2.177 346 2HB PRO 65 1HB PRO 65 -0.934 12.005 1.086 347 1HG PRO 65 2HG PRO 65 0.155 12.401 3.484 348 2HG PRO 65 1HG PRO 65 -1.018 13.548 2.812 349 1HD PRO 65 2HD PRO 65 -1.347 11.568 4.998 350 2HD PRO 65 1HD PRO 65 -2.175 13.116 4.738 351 H ALA 66 H ALA 66 -2.360 9.114 3.340 352 HA ALA 66 HA ALA 66 -2.486 7.314 1.212 353 1HB ALA 66 1HB ALA 66 -3.306 5.752 3.219 354 2HB ALA 66 2HB ALA 66 -2.699 7.118 4.154 355 3HB ALA 66 3HB ALA 66 -1.632 6.272 3.034 356 H GLU 67 H GLU 67 -5.030 8.592 3.288 357 HA GLU 67 HA GLU 67 -7.094 6.936 2.190 358 1HB GLU 67 2HB GLU 67 -6.812 8.681 4.385 359 2HB GLU 67 1HB GLU 67 -8.092 9.361 3.392 360 1HG GLU 67 2HG GLU 67 -7.981 6.696 4.743 361 2HG GLU 67 1HG GLU 67 -9.180 7.974 4.907 362 H ARG 68 H ARG 68 -6.237 10.369 1.893 363 HA ARG 68 HA ARG 68 -8.211 10.929 -0.075 364 1HB ARG 68 2HB ARG 68 -5.728 12.453 0.725 365 2HB ARG 68 1HB ARG 68 -6.992 13.077 -0.325 366 1HG ARG 68 2HG ARG 68 -7.714 13.965 1.622 367 2HG ARG 68 1HG ARG 68 -8.508 12.394 1.751 368 1HD ARG 68 2HD ARG 68 -5.799 12.306 2.766 369 2HD ARG 68 1HD ARG 68 -6.750 13.546 3.579 370 HE ARG 68 HE ARG 68 -6.922 10.798 4.048 371 1HH1 ARG 68 1HH1 ARG 68 -9.058 13.510 3.477 372 2HH1 ARG 68 2HH1 ARG 68 -10.374 12.814 4.359 373 1HH2 ARG 68 1HH2 ARG 68 -8.659 9.901 5.224 374 2HH2 ARG 68 2HH2 ARG 68 -10.149 10.773 5.349 375 H CYS 69 H CYS 69 -5.313 9.243 -0.291 376 HA CYS 69 HA CYS 69 -4.205 10.076 -2.700 377 1HB CYS 69 2HB CYS 69 -3.151 8.442 -1.179 378 2HB CYS 69 1HB CYS 69 -4.367 7.252 -1.629 379 HG CYS 69 HG CYS 69 -2.088 8.235 -3.492 380 H GLY 70 H GLY 70 -7.129 8.325 -2.066 381 1HA GLY 70 2HA GLY 70 -8.820 7.634 -3.455 382 2HA GLY 70 1HA GLY 70 -8.096 8.645 -4.696 383 H VAL 71 H VAL 71 -6.408 6.019 -3.116 384 HA VAL 71 HA VAL 71 -6.800 4.280 -5.432 385 HB VAL 71 HB VAL 71 -4.017 4.825 -4.423 386 1HG1 VAL 71 1HG1 VAL 71 -4.019 2.799 -5.552 387 2HG1 VAL 71 2HG1 VAL 71 -3.557 3.947 -6.809 388 3HG1 VAL 71 3HG1 VAL 71 -5.212 3.344 -6.732 389 1HG2 VAL 71 1HG2 VAL 71 -4.433 6.909 -5.288 390 2HG2 VAL 71 2HG2 VAL 71 -5.619 6.311 -6.448 391 3HG2 VAL 71 3HG2 VAL 71 -3.897 6.064 -6.739 392 H LEU 72 H LEU 72 -5.038 4.618 -2.353 393 HA LEU 72 HA LEU 72 -4.753 1.893 -1.810 394 1HB LEU 72 2HB LEU 72 -5.025 4.193 0.127 395 2HB LEU 72 1HB LEU 72 -4.456 2.588 0.545 396 HG LEU 72 HG LEU 72 -3.075 4.381 -1.449 397 1HD1 LEU 72 1HD1 LEU 72 -1.837 5.325 0.178 398 2HD1 LEU 72 2HD1 LEU 72 -1.853 3.875 1.181 399 3HD1 LEU 72 3HD1 LEU 72 -3.245 4.958 1.176 400 1HD2 LEU 72 1HD2 LEU 72 -1.636 2.249 -0.024 401 2HD2 LEU 72 2HD2 LEU 72 -1.547 2.752 -1.712 402 3HD2 LEU 72 3HD2 LEU 72 -2.854 1.700 -1.174 403 H GLN 73 H GLN 73 -5.900 0.483 -0.441 404 HA GLN 73 HA GLN 73 -8.592 1.268 0.368 405 1HB GLN 73 2HB GLN 73 -8.197 -0.088 -2.012 406 2HB GLN 73 1HB GLN 73 -8.583 -1.374 -0.877 407 1HG GLN 73 2HG GLN 73 -10.652 -0.282 -0.284 408 2HG GLN 73 1HG GLN 73 -10.254 1.089 -1.319 409 1HE2 GLN 73 1HE2 GLN 73 -11.779 -1.894 -1.124 410 2HE2 GLN 73 2HE2 GLN 73 -12.086 -2.137 -2.813 411 H ILE 74 H ILE 74 -9.608 -0.328 1.800 412 HA ILE 74 HA ILE 74 -7.753 -1.275 3.744 413 HB ILE 74 HB ILE 74 -10.697 -1.917 3.588 414 1HG1 ILE 74 2HG1 ILE 74 -10.320 0.518 3.448 415 2HG1 ILE 74 1HG1 ILE 74 -11.070 0.060 4.974 416 1HG2 ILE 74 1HG2 ILE 74 -8.862 -2.975 5.247 417 2HG2 ILE 74 2HG2 ILE 74 -10.549 -2.719 5.691 418 3HG2 ILE 74 3HG2 ILE 74 -9.324 -1.544 6.168 419 1HD1 ILE 74 1HD1 ILE 74 -9.207 1.782 5.049 420 2HD1 ILE 74 2HD1 ILE 74 -8.110 0.441 4.721 421 3HD1 ILE 74 3HD1 ILE 74 -9.103 0.431 6.179 422 H GLY 75 H GLY 75 -6.456 -2.830 2.718 423 1HA GLY 75 2HA GLY 75 -6.327 -5.299 2.978 424 2HA GLY 75 1HA GLY 75 -7.852 -5.364 2.109 425 H ASP 76 H ASP 76 -5.139 -3.260 1.303 426 HA ASP 76 HA ASP 76 -5.152 -4.198 -1.402 427 1HB ASP 76 2HB ASP 76 -4.289 -1.889 -0.101 428 2HB ASP 76 1HB ASP 76 -2.804 -2.645 -0.673 429 H ARG 77 H ARG 77 -3.912 -5.706 -2.333 430 HA ARG 77 HA ARG 77 -2.130 -7.251 -0.651 431 1HB ARG 77 2HB ARG 77 -3.106 -7.609 -3.483 432 2HB ARG 77 1HB ARG 77 -1.938 -8.687 -2.731 433 1HG ARG 77 2HG ARG 77 -4.070 -8.491 -0.925 434 2HG ARG 77 1HG ARG 77 -4.797 -8.664 -2.521 435 1HD ARG 77 2HD ARG 77 -2.521 -10.440 -1.817 436 2HD ARG 77 1HD ARG 77 -4.085 -10.763 -1.072 437 HE ARG 77 HE ARG 77 -3.352 -11.185 -3.816 438 1HH1 ARG 77 1HH1 ARG 77 -6.005 -10.609 -1.626 439 2HH1 ARG 77 2HH1 ARG 77 -7.188 -11.324 -2.669 440 1HH2 ARG 77 1HH2 ARG 77 -4.905 -12.127 -5.191 441 2HH2 ARG 77 2HH2 ARG 77 -6.563 -12.188 -4.694 442 H VAL 78 H VAL 78 -0.531 -5.559 -0.379 443 HA VAL 78 HA VAL 78 0.889 -4.341 -2.441 444 HB VAL 78 HB VAL 78 2.174 -5.158 0.158 445 1HG1 VAL 78 1HG1 VAL 78 2.983 -2.645 -0.338 446 2HG1 VAL 78 2HG1 VAL 78 2.717 -3.207 -1.988 447 3HG1 VAL 78 3HG1 VAL 78 3.831 -4.074 -0.931 448 1HG2 VAL 78 1HG2 VAL 78 -0.055 -3.277 -0.325 449 2HG2 VAL 78 2HG2 VAL 78 1.250 -2.698 0.711 450 3HG2 VAL 78 3HG2 VAL 78 0.380 -4.174 1.130 451 H MET 79 H MET 79 3.092 -4.761 -3.187 452 HA MET 79 HA MET 79 3.888 -7.580 -3.081 453 1HB MET 79 2HB MET 79 2.506 -6.822 -5.195 454 2HB MET 79 1HB MET 79 4.052 -6.154 -5.701 455 1HG MET 79 2HG MET 79 4.118 -8.933 -4.743 456 2HG MET 79 1HG MET 79 3.233 -8.657 -6.242 457 1HE MET 79 1HE MET 79 6.601 -10.355 -6.305 458 2HE MET 79 2HE MET 79 5.951 -9.804 -4.762 459 3HE MET 79 3HE MET 79 7.457 -9.123 -5.378 460 H ALA 80 H ALA 80 4.922 -4.597 -4.758 461 HA ALA 80 HA ALA 80 7.553 -4.902 -3.470 462 1HB ALA 80 1HB ALA 80 8.704 -4.465 -5.470 463 2HB ALA 80 2HB ALA 80 7.237 -3.941 -6.298 464 3HB ALA 80 3HB ALA 80 7.466 -5.644 -5.901 465 H ILE 81 H ILE 81 7.288 -3.287 -1.984 466 HA ILE 81 HA ILE 81 6.354 -0.667 -2.815 467 HB ILE 81 HB ILE 81 7.421 -1.516 -0.124 468 1HG1 ILE 81 2HG1 ILE 81 4.510 -1.209 -0.798 469 2HG1 ILE 81 1HG1 ILE 81 5.342 -2.737 -1.096 470 1HG2 ILE 81 1HG2 ILE 81 6.792 1.018 -1.156 471 2HG2 ILE 81 2HG2 ILE 81 7.138 0.589 0.519 472 3HG2 ILE 81 3HG2 ILE 81 5.475 0.586 -0.064 473 1HD1 ILE 81 1HD1 ILE 81 4.098 -2.028 1.224 474 2HD1 ILE 81 2HD1 ILE 81 5.788 -1.670 1.579 475 3HD1 ILE 81 3HD1 ILE 81 5.320 -3.289 1.060 476 H ASN 82 H ASN 82 7.657 0.842 -3.599 477 HA ASN 82 HA ASN 82 9.569 1.869 -4.313 478 1HB ASN 82 2HB ASN 82 10.955 2.745 -2.518 479 2HB ASN 82 1HB ASN 82 9.261 2.806 -2.046 480 1HD2 ASN 82 1HD2 ASN 82 12.352 1.385 -1.463 481 2HD2 ASN 82 2HD2 ASN 82 11.935 0.568 0.008 482 H GLY 83 H GLY 83 9.603 -1.037 -4.532 483 1HA GLY 83 2HA GLY 83 11.349 -2.243 -5.635 484 2HA GLY 83 1HA GLY 83 12.521 -1.368 -4.661 485 H ILE 84 H ILE 84 11.226 -1.746 -2.141 486 HA ILE 84 HA ILE 84 12.139 -4.435 -1.589 487 HB ILE 84 HB ILE 84 10.939 -2.506 0.385 488 1HG1 ILE 84 2HG1 ILE 84 12.868 -1.568 -1.056 489 2HG1 ILE 84 1HG1 ILE 84 13.007 -1.445 0.694 490 1HG2 ILE 84 1HG2 ILE 84 12.648 -4.955 0.570 491 2HG2 ILE 84 2HG2 ILE 84 11.155 -4.566 1.423 492 3HG2 ILE 84 3HG2 ILE 84 12.658 -3.751 1.858 493 1HD1 ILE 84 1HD1 ILE 84 14.471 -3.406 0.704 494 2HD1 ILE 84 2HD1 ILE 84 15.111 -2.108 -0.302 495 3HD1 ILE 84 3HD1 ILE 84 14.338 -3.504 -1.051 496 HA PRO 85 HA PRO 85 7.825 -5.767 -1.677 497 1HB PRO 85 2HB PRO 85 8.249 -8.292 -2.394 498 2HB PRO 85 1HB PRO 85 8.510 -6.973 -3.543 499 1HG PRO 85 2HG PRO 85 10.504 -8.572 -2.011 500 2HG PRO 85 1HG PRO 85 10.614 -7.913 -3.652 501 1HD PRO 85 2HD PRO 85 11.701 -6.780 -1.314 502 2HD PRO 85 1HD PRO 85 11.541 -5.988 -2.893 503 H THR 86 H THR 86 9.752 -5.833 0.748 504 HA THR 86 HA THR 86 9.820 -6.708 2.844 505 HB THR 86 HB THR 86 7.728 -7.224 3.863 506 HG1 THR 86 1HG THR 86 6.948 -8.759 2.419 507 1HG2 THR 86 1HG2 THR 86 6.657 -5.477 1.731 508 2HG2 THR 86 2HG2 THR 86 8.038 -4.892 2.659 509 3HG2 THR 86 3HG2 THR 86 6.544 -5.333 3.485 510 H GLU 87 H GLU 87 11.354 -8.288 1.847 511 HA GLU 87 HA GLU 87 10.304 -11.001 1.607 512 1HB GLU 87 2HB GLU 87 12.506 -11.593 0.766 513 2HB GLU 87 1HB GLU 87 11.895 -10.185 -0.089 514 1HG GLU 87 2HG GLU 87 13.254 -8.850 1.675 515 2HG GLU 87 1HG GLU 87 14.108 -10.378 1.900 516 H ASP 88 H ASP 88 12.630 -9.156 3.545 517 HA ASP 88 HA ASP 88 13.281 -11.394 5.220 518 1HB ASP 88 2HB ASP 88 14.557 -9.073 4.668 519 2HB ASP 88 1HB ASP 88 13.818 -8.658 6.213 520 H SER 89 H SER 89 11.873 -8.239 6.111 521 HA SER 89 HA SER 89 10.369 -9.606 8.229 522 1HB SER 89 2HB SER 89 11.962 -7.437 8.451 523 2HB SER 89 1HB SER 89 10.419 -6.643 8.138 524 HG SER 89 HG SER 89 11.142 -7.334 10.427 525 H THR 90 H THR 90 8.187 -8.678 8.721 526 HA THR 90 HA THR 90 6.747 -8.198 6.200 527 HB THR 90 HB THR 90 4.742 -8.931 7.699 528 HG1 THR 90 1HG THR 90 5.266 -9.532 9.620 529 1HG2 THR 90 1HG2 THR 90 6.292 -10.312 5.933 530 2HG2 THR 90 2HG2 THR 90 4.815 -10.911 6.688 531 3HG2 THR 90 3HG2 THR 90 6.387 -11.313 7.381 532 H PHE 91 H PHE 91 5.813 -7.601 9.571 533 HA PHE 91 HA PHE 91 4.560 -5.133 8.920 534 1HB PHE 91 2HB PHE 91 3.999 -6.730 10.848 535 2HB PHE 91 1HB PHE 91 5.353 -5.994 11.698 536 HD1 PHE 91 1HD PHE 91 5.291 -3.552 12.210 537 HD2 PHE 91 2HD PHE 91 1.911 -5.655 10.705 538 HE1 PHE 91 1HE PHE 91 3.823 -1.732 12.975 539 HE2 PHE 91 2HE PHE 91 0.437 -3.837 11.466 540 HZ PHE 91 HZ PHE 91 1.393 -1.873 12.603 541 H GLU 92 H GLU 92 7.632 -5.995 10.440 542 HA GLU 92 HA GLU 92 8.405 -3.364 11.122 543 1HB GLU 92 2HB GLU 92 9.452 -5.953 11.435 544 2HB GLU 92 1HB GLU 92 10.673 -5.056 10.542 545 1HG GLU 92 2HG GLU 92 10.771 -3.380 12.259 546 2HG GLU 92 1HG GLU 92 9.432 -4.132 13.123 547 H GLU 93 H GLU 93 8.880 -5.334 8.239 548 HA GLU 93 HA GLU 93 10.715 -3.641 6.934 549 1HB GLU 93 2HB GLU 93 9.085 -5.968 6.253 550 2HB GLU 93 1HB GLU 93 9.284 -4.860 4.903 551 1HG GLU 93 2HG GLU 93 11.479 -6.154 6.503 552 2HG GLU 93 1HG GLU 93 11.000 -6.544 4.851 553 H ALA 94 H ALA 94 7.176 -3.890 6.691 554 HA ALA 94 HA ALA 94 6.784 -1.910 4.766 555 1HB ALA 94 1HB ALA 94 4.573 -2.214 5.134 556 2HB ALA 94 2HB ALA 94 4.741 -2.137 6.887 557 3HB ALA 94 3HB ALA 94 5.153 -3.621 6.026 558 H ASN 95 H ASN 95 6.887 -1.658 8.304 559 HA ASN 95 HA ASN 95 6.252 1.061 8.502 560 1HB ASN 95 2HB ASN 95 7.625 -0.919 10.257 561 2HB ASN 95 1HB ASN 95 7.774 0.788 10.666 562 1HD2 ASN 95 1HD2 ASN 95 5.249 -1.471 9.604 563 2HD2 ASN 95 2HD2 ASN 95 4.053 -0.930 10.736 564 H GLN 96 H GLN 96 9.343 -0.570 8.020 565 HA GLN 96 HA GLN 96 11.002 1.655 8.328 566 1HB GLN 96 2HB GLN 96 11.882 -0.606 8.347 567 2HB GLN 96 1HB GLN 96 11.381 -0.845 6.679 568 1HG GLN 96 2HG GLN 96 13.224 0.095 5.887 569 2HG GLN 96 1HG GLN 96 13.088 1.471 6.979 570 1HE2 GLN 96 1HE2 GLN 96 14.888 1.706 8.079 571 2HE2 GLN 96 2HE2 GLN 96 15.829 0.433 8.789 572 H LEU 97 H LEU 97 9.361 0.322 5.497 573 HA LEU 97 HA LEU 97 10.518 2.003 3.567 574 1HB LEU 97 2HB LEU 97 7.729 0.855 3.503 575 2HB LEU 97 1HB LEU 97 8.697 1.354 2.129 576 HG LEU 97 HG LEU 97 9.769 -0.795 3.890 577 1HD1 LEU 97 1HD1 LEU 97 8.142 -1.803 1.693 578 2HD1 LEU 97 2HD1 LEU 97 7.197 -1.024 2.962 579 3HD1 LEU 97 3HD1 LEU 97 8.272 -2.363 3.361 580 1HD2 LEU 97 1HD2 LEU 97 11.071 -1.294 2.108 581 2HD2 LEU 97 2HD2 LEU 97 10.735 0.388 1.693 582 3HD2 LEU 97 3HD2 LEU 97 9.808 -0.910 0.938 583 H LEU 98 H LEU 98 7.493 2.318 5.405 584 HA LEU 98 HA LEU 98 6.636 4.733 4.279 585 1HB LEU 98 2HB LEU 98 6.177 3.746 7.095 586 2HB LEU 98 1HB LEU 98 5.236 4.971 6.266 587 HG LEU 98 HG LEU 98 5.386 2.042 5.552 588 1HD1 LEU 98 1HD1 LEU 98 3.962 2.142 7.360 589 2HD1 LEU 98 2HD1 LEU 98 2.846 2.371 6.014 590 3HD1 LEU 98 3HD1 LEU 98 3.388 3.760 6.955 591 1HD2 LEU 98 1HD2 LEU 98 4.394 4.405 4.080 592 2HD2 LEU 98 2HD2 LEU 98 3.359 2.976 4.078 593 3HD2 LEU 98 3HD2 LEU 98 5.014 2.869 3.477 594 H ARG 99 H ARG 99 8.910 4.053 6.856 595 HA ARG 99 HA ARG 99 9.140 6.806 7.664 596 1HB ARG 99 2HB ARG 99 9.903 4.287 8.717 597 2HB ARG 99 1HB ARG 99 11.374 5.231 8.525 598 1HG ARG 99 2HG ARG 99 10.777 6.745 10.107 599 2HG ARG 99 1HG ARG 99 9.052 6.575 9.778 600 1HD ARG 99 2HD ARG 99 8.815 5.060 11.395 601 2HD ARG 99 1HD ARG 99 10.176 4.113 10.793 602 HE ARG 99 HE ARG 99 10.185 5.847 13.030 603 1HH1 ARG 99 1HH1 ARG 99 12.179 4.810 10.362 604 2HH1 ARG 99 2HH1 ARG 99 13.667 5.124 11.189 605 1HH2 ARG 99 1HH2 ARG 99 12.140 6.258 14.121 606 2HH2 ARG 99 2HH2 ARG 99 13.645 5.946 13.323 607 H ASP 100 H ASP 100 10.758 4.650 5.455 608 HA ASP 100 HA ASP 100 13.072 6.299 5.101 609 1HB ASP 100 2HB ASP 100 12.005 3.810 3.879 610 2HB ASP 100 1HB ASP 100 13.142 4.750 2.919 611 H SER 101 H SER 101 9.910 6.687 4.147 612 HA SER 101 HA SER 101 10.382 7.767 1.524 613 1HB SER 101 2HB SER 101 8.224 6.709 2.141 614 2HB SER 101 1HB SER 101 7.934 8.018 3.287 615 HG SER 101 HG SER 101 7.046 8.127 1.002 616 H SER 102 H SER 102 10.296 8.974 4.780 617 HA SER 102 HA SER 102 9.799 11.683 4.302 618 1HB SER 102 2HB SER 102 11.066 10.109 6.477 619 2HB SER 102 1HB SER 102 11.443 11.832 6.429 620 HG SER 102 HG SER 102 9.160 12.211 6.402 621 H ILE 103 H ILE 103 12.749 9.789 4.027 622 HA ILE 103 HA ILE 103 14.670 11.755 3.904 623 HB ILE 103 HB ILE 103 14.570 9.275 2.205 624 1HG1 ILE 103 2HG1 ILE 103 14.210 8.794 4.580 625 2HG1 ILE 103 1HG1 ILE 103 15.793 8.249 4.058 626 1HG2 ILE 103 1HG2 ILE 103 16.840 11.058 3.077 627 2HG2 ILE 103 2HG2 ILE 103 16.300 10.736 1.429 628 3HG2 ILE 103 3HG2 ILE 103 17.059 9.454 2.374 629 1HD1 ILE 103 1HD1 ILE 103 16.641 9.327 5.789 630 2HD1 ILE 103 2HD1 ILE 103 15.096 10.105 6.128 631 3HD1 ILE 103 3HD1 ILE 103 16.214 10.830 4.974 632 H THR 104 H THR 104 12.659 10.506 1.259 633 HA THR 104 HA THR 104 13.620 12.674 -0.468 634 HB THR 104 HB THR 104 13.826 10.616 -1.589 635 HG1 THR 104 1HG THR 104 11.295 11.561 -2.433 636 1HG2 THR 104 1HG2 THR 104 11.612 9.228 -1.893 637 2HG2 THR 104 2HG2 THR 104 11.238 9.929 -0.319 638 3HG2 THR 104 3HG2 THR 104 12.695 8.958 -0.528 639 H SER 105 H SER 105 11.136 12.073 1.630 640 HA SER 105 HA SER 105 9.274 13.300 2.117 641 1HB SER 105 2HB SER 105 9.251 14.747 -0.490 642 2HB SER 105 1HB SER 105 8.895 15.341 1.133 643 HG SER 105 HG SER 105 10.837 16.198 0.697 644 H LYS 106 H LYS 106 9.653 11.182 -0.396 645 HA LYS 106 HA LYS 106 6.835 10.614 -0.454 646 1HB LYS 106 2HB LYS 106 6.538 10.780 -2.847 647 2HB LYS 106 1HB LYS 106 7.059 12.336 -2.215 648 1HG LYS 106 2HG LYS 106 8.926 12.335 -3.435 649 2HG LYS 106 1HG LYS 106 9.272 10.644 -3.072 650 1HD LYS 106 2HD LYS 106 8.883 11.035 -5.477 651 2HD LYS 106 1HD LYS 106 7.705 9.922 -4.775 652 1HE LYS 106 2HE LYS 106 6.006 11.543 -4.789 653 2HE LYS 106 1HE LYS 106 7.150 12.863 -5.024 654 1HZ LYS 106 1HZ LYS 106 5.716 11.804 -6.988 655 2HZ LYS 106 2HZ LYS 106 7.097 10.835 -7.104 656 3HZ LYS 106 3HZ LYS 106 7.231 12.516 -7.233 657 H VAL 107 H VAL 107 6.361 8.638 -1.752 658 HA VAL 107 HA VAL 107 8.654 6.921 -2.270 659 HB VAL 107 HB VAL 107 8.169 6.604 0.134 660 1HG1 VAL 107 1HG1 VAL 107 6.128 5.653 0.906 661 2HG1 VAL 107 2HG1 VAL 107 5.537 5.433 -0.740 662 3HG1 VAL 107 3HG1 VAL 107 5.712 7.058 -0.076 663 1HG2 VAL 107 1HG2 VAL 107 7.623 4.279 -1.702 664 2HG2 VAL 107 2HG2 VAL 107 7.925 4.113 0.028 665 3HG2 VAL 107 3HG2 VAL 107 9.174 4.778 -1.025 666 H THR 108 H THR 108 8.221 5.187 -3.626 667 HA THR 108 HA THR 108 5.548 5.212 -4.862 668 HB THR 108 HB THR 108 7.233 3.854 -6.603 669 HG1 THR 108 1HG THR 108 8.589 6.147 -5.638 670 1HG2 THR 108 1HG2 THR 108 6.137 6.617 -6.537 671 2HG2 THR 108 2HG2 THR 108 5.794 5.287 -7.644 672 3HG2 THR 108 3HG2 THR 108 7.307 6.182 -7.782 673 H LEU 109 H LEU 109 4.353 3.592 -4.094 674 HA LEU 109 HA LEU 109 5.662 1.008 -3.576 675 1HB LEU 109 2HB LEU 109 3.505 0.588 -2.241 676 2HB LEU 109 1HB LEU 109 4.717 1.658 -1.564 677 HG LEU 109 HG LEU 109 2.600 2.950 -3.177 678 1HD1 LEU 109 1HD1 LEU 109 0.849 2.659 -1.737 679 2HD1 LEU 109 2HD1 LEU 109 1.893 2.273 -0.369 680 3HD1 LEU 109 3HD1 LEU 109 1.606 1.070 -1.626 681 1HD2 LEU 109 1HD2 LEU 109 4.373 4.223 -2.077 682 2HD2 LEU 109 2HD2 LEU 109 3.868 3.580 -0.515 683 3HD2 LEU 109 3HD2 LEU 109 2.786 4.632 -1.426 684 H GLU 110 H GLU 110 4.824 -0.879 -4.380 685 HA GLU 110 HA GLU 110 2.821 -0.571 -6.511 686 1HB GLU 110 2HB GLU 110 4.981 -2.649 -6.116 687 2HB GLU 110 1HB GLU 110 3.751 -2.740 -7.369 688 1HG GLU 110 2HG GLU 110 4.566 -0.719 -8.385 689 2HG GLU 110 1HG GLU 110 5.721 -0.485 -7.075 690 H ILE 111 H ILE 111 0.864 -1.356 -6.122 691 HA ILE 111 HA ILE 111 0.591 -3.481 -4.104 692 HB ILE 111 HB ILE 111 -1.893 -2.320 -4.214 693 1HG1 ILE 111 2HG1 ILE 111 0.136 -0.080 -4.158 694 2HG1 ILE 111 1HG1 ILE 111 -0.850 -0.465 -5.566 695 1HG2 ILE 111 1HG2 ILE 111 -0.874 -1.112 -2.057 696 2HG2 ILE 111 2HG2 ILE 111 0.407 -2.285 -2.360 697 3HG2 ILE 111 3HG2 ILE 111 -1.250 -2.834 -2.108 698 1HD1 ILE 111 1HD1 ILE 111 -2.817 -0.219 -3.872 699 2HD1 ILE 111 2HD1 ILE 111 -2.074 1.199 -4.614 700 3HD1 ILE 111 3HD1 ILE 111 -1.637 0.731 -2.969 701 H GLU 112 H GLU 112 -1.394 -4.792 -4.310 702 HA GLU 112 HA GLU 112 -2.132 -5.207 -7.130 703 1HB GLU 112 2HB GLU 112 -0.607 -6.976 -6.222 704 2HB GLU 112 1HB GLU 112 -1.845 -7.366 -5.035 705 1HG GLU 112 2HG GLU 112 -3.364 -8.054 -6.753 706 2HG GLU 112 1HG GLU 112 -2.262 -7.496 -8.011 707 H PHE 113 H PHE 113 -4.204 -4.827 -7.465 708 HA PHE 113 HA PHE 113 -6.110 -5.292 -5.255 709 1HB PHE 113 2HB PHE 113 -7.430 -3.452 -6.044 710 2HB PHE 113 1HB PHE 113 -5.764 -2.879 -5.959 711 HD1 PHE 113 1HD PHE 113 -8.211 -4.353 -8.337 712 HD2 PHE 113 2HD PHE 113 -4.823 -1.841 -7.801 713 HE1 PHE 113 1HE PHE 113 -8.293 -3.741 -10.707 714 HE2 PHE 113 2HE PHE 113 -4.907 -1.217 -10.181 715 HZ PHE 113 HZ PHE 113 -6.647 -2.188 -11.636 716 H ASP 114 H ASP 114 -8.367 -5.778 -6.040 717 HA ASP 114 HA ASP 114 -8.238 -7.421 -8.486 718 1HB ASP 114 2HB ASP 114 -10.305 -8.564 -7.319 719 2HB ASP 114 1HB ASP 114 -8.662 -9.022 -6.884 720 H VAL 115 H VAL 115 -8.988 -5.993 -9.972 721 HA VAL 115 HA VAL 115 -11.719 -5.658 -10.322 722 HB VAL 115 HB VAL 115 -11.171 -4.032 -8.328 723 1HG1 VAL 115 1HG1 VAL 115 -10.994 -1.676 -9.665 724 2HG1 VAL 115 2HG1 VAL 115 -9.885 -2.682 -10.591 725 3HG1 VAL 115 3HG1 VAL 115 -9.651 -2.482 -8.857 726 1HG2 VAL 115 1HG2 VAL 115 -13.228 -3.258 -8.680 727 2HG2 VAL 115 2HG2 VAL 115 -13.217 -4.283 -10.116 728 3HG2 VAL 115 3HG2 VAL 115 -12.807 -2.574 -10.249 729 H ALA 116 H ALA 116 -11.923 -3.377 -11.832 730 HA ALA 116 HA ALA 116 -9.782 -2.747 -13.493 731 1HB ALA 116 1HB ALA 116 -11.121 -5.269 -14.166 732 2HB ALA 116 2HB ALA 116 -9.517 -4.682 -14.601 733 3HB ALA 116 3HB ALA 116 -10.929 -4.147 -15.512 734 H GLU 117 H GLU 117 -10.298 -1.189 -14.969 735 HA GLU 117 HA GLU 117 -13.153 -0.572 -15.319 736 1HB GLU 117 2HB GLU 117 -10.922 1.195 -14.417 737 2HB GLU 117 1HB GLU 117 -12.177 1.893 -15.432 738 1HG GLU 117 2HG GLU 117 -13.869 1.135 -13.809 739 2HG GLU 117 1HG GLU 117 -12.573 0.532 -12.778 740 H SER 118 H SER 118 -11.657 -2.085 -17.078 741 HA SER 118 HA SER 118 -11.065 -0.256 -19.301 742 1HB SER 118 2HB SER 118 -9.799 -2.644 -18.349 743 2HB SER 118 1HB SER 118 -10.381 -2.929 -19.989 744 HG SER 118 HG SER 118 -9.156 -1.257 -20.720 Start of MODEL 7 1 1H GLN 18 1HT GLN 18 -11.438 -15.467 -14.676 2 2H GLN 18 2HT GLN 18 -10.230 -15.698 -15.873 3 3H GLN 18 3HT GLN 18 -11.879 -15.998 -16.245 4 HA GLN 18 HA GLN 18 -11.430 -13.982 -17.202 5 1HB GLN 18 2HB GLN 18 -12.920 -14.019 -14.647 6 2HB GLN 18 1HB GLN 18 -12.531 -12.422 -15.271 7 1HG GLN 18 2HG GLN 18 -13.740 -12.789 -17.255 8 2HG GLN 18 1HG GLN 18 -13.862 -14.521 -16.951 9 1HE2 GLN 18 1HE2 GLN 18 -14.959 -11.354 -15.931 10 2HE2 GLN 18 2HE2 GLN 18 -16.415 -11.897 -15.161 11 H VAL 19 H VAL 19 -9.629 -12.866 -17.565 12 HA VAL 19 HA VAL 19 -7.708 -12.309 -15.526 13 HB VAL 19 HB VAL 19 -7.033 -12.709 -17.852 14 1HG1 VAL 19 1HG1 VAL 19 -8.270 -11.804 -19.465 15 2HG1 VAL 19 2HG1 VAL 19 -7.415 -10.294 -19.151 16 3HG1 VAL 19 3HG1 VAL 19 -8.964 -10.611 -18.368 17 1HG2 VAL 19 1HG2 VAL 19 -5.794 -10.284 -18.000 18 2HG2 VAL 19 2HG2 VAL 19 -5.255 -11.635 -17.004 19 3HG2 VAL 19 3HG2 VAL 19 -6.240 -10.356 -16.296 20 H VAL 20 H VAL 20 -9.568 -11.209 -14.254 21 HA VAL 20 HA VAL 20 -9.162 -8.337 -14.516 22 HB VAL 20 HB VAL 20 -11.208 -8.791 -15.819 23 1HG1 VAL 20 1HG1 VAL 20 -12.539 -10.435 -15.129 24 2HG1 VAL 20 2HG1 VAL 20 -13.151 -9.312 -13.915 25 3HG1 VAL 20 3HG1 VAL 20 -11.842 -10.422 -13.509 26 1HG2 VAL 20 1HG2 VAL 20 -12.041 -7.410 -13.292 27 2HG2 VAL 20 2HG2 VAL 20 -12.449 -7.015 -14.961 28 3HG2 VAL 20 3HG2 VAL 20 -10.820 -6.711 -14.355 29 H HIS 21 H HIS 21 -9.961 -7.149 -12.599 30 HA HIS 21 HA HIS 21 -10.116 -6.816 -10.359 31 1HB HIS 21 2HB HIS 21 -11.231 -9.604 -10.527 32 2HB HIS 21 1HB HIS 21 -11.040 -8.785 -8.983 33 HD1 HIS 21 1HD HIS 21 -12.372 -6.417 -8.815 34 HD2 HIS 21 2HD HIS 21 -13.549 -9.033 -11.819 35 HE1 HIS 21 1HE HIS 21 -14.657 -5.643 -9.521 36 HE2 HIS 21 2HE HIS 21 -15.305 -7.179 -11.411 37 H THR 22 H THR 22 -7.602 -7.142 -11.142 38 HA THR 22 HA THR 22 -6.187 -7.833 -8.895 39 HB THR 22 HB THR 22 -7.000 -10.176 -9.426 40 HG1 THR 22 1HG THR 22 -4.221 -9.652 -9.349 41 1HG2 THR 22 1HG2 THR 22 -4.852 -10.361 -11.462 42 2HG2 THR 22 2HG2 THR 22 -6.451 -9.804 -11.958 43 3HG2 THR 22 3HG2 THR 22 -6.264 -11.388 -11.204 44 H GLU 23 H GLU 23 -4.629 -6.409 -9.232 45 HA GLU 23 HA GLU 23 -2.700 -6.789 -11.287 46 1HB GLU 23 2HB GLU 23 -4.896 -4.884 -11.730 47 2HB GLU 23 1HB GLU 23 -3.288 -4.246 -12.048 48 1HG GLU 23 2HG GLU 23 -3.550 -6.846 -13.205 49 2HG GLU 23 1HG GLU 23 -4.894 -5.825 -13.712 50 H THR 24 H THR 24 -0.910 -5.324 -11.144 51 HA THR 24 HA THR 24 -0.565 -4.312 -8.448 52 HB THR 24 HB THR 24 1.809 -3.860 -9.355 53 HG1 THR 24 1HG THR 24 1.082 -4.085 -11.586 54 1HG2 THR 24 1HG2 THR 24 1.095 -6.753 -9.533 55 2HG2 THR 24 2HG2 THR 24 1.009 -5.894 -7.995 56 3HG2 THR 24 3HG2 THR 24 2.540 -5.994 -8.865 57 H THR 25 H THR 25 -0.626 -2.234 -7.875 58 HA THR 25 HA THR 25 -0.692 -0.211 -10.018 59 HB THR 25 HB THR 25 -2.823 -0.033 -9.141 60 HG1 THR 25 1HG THR 25 -1.697 1.960 -8.826 61 1HG2 THR 25 1HG2 THR 25 -1.861 -0.403 -6.331 62 2HG2 THR 25 2HG2 THR 25 -2.454 -1.722 -7.337 63 3HG2 THR 25 3HG2 THR 25 -3.523 -0.383 -6.920 64 H GLU 26 H GLU 26 0.339 1.746 -9.670 65 HA GLU 26 HA GLU 26 2.434 1.668 -7.620 66 1HB GLU 26 2HB GLU 26 2.306 2.625 -10.364 67 2HB GLU 26 1HB GLU 26 2.897 3.873 -9.277 68 1HG GLU 26 2HG GLU 26 4.483 2.043 -8.397 69 2HG GLU 26 1HG GLU 26 4.078 1.199 -9.892 70 H VAL 27 H VAL 27 1.502 2.452 -5.813 71 HA VAL 27 HA VAL 27 -0.034 4.929 -5.983 72 HB VAL 27 HB VAL 27 -0.207 4.180 -3.372 73 1HG1 VAL 27 1HG1 VAL 27 -2.435 3.322 -3.949 74 2HG1 VAL 27 2HG1 VAL 27 -1.962 3.270 -5.647 75 3HG1 VAL 27 3HG1 VAL 27 -2.063 4.818 -4.808 76 1HG2 VAL 27 1HG2 VAL 27 -0.289 1.596 -4.913 77 2HG2 VAL 27 2HG2 VAL 27 -0.508 1.824 -3.178 78 3HG2 VAL 27 3HG2 VAL 27 1.074 2.091 -3.910 79 H VAL 28 H VAL 28 1.372 6.585 -6.020 80 HA VAL 28 HA VAL 28 3.691 6.621 -4.292 81 HB VAL 28 HB VAL 28 3.786 7.530 -6.600 82 1HG1 VAL 28 1HG1 VAL 28 2.217 9.884 -5.593 83 2HG1 VAL 28 2HG1 VAL 28 1.453 8.539 -6.441 84 3HG1 VAL 28 3HG1 VAL 28 2.691 9.502 -7.249 85 1HG2 VAL 28 1HG2 VAL 28 5.482 8.260 -5.126 86 2HG2 VAL 28 2HG2 VAL 28 4.389 9.364 -4.294 87 3HG2 VAL 28 3HG2 VAL 28 4.898 9.707 -5.947 88 H LEU 29 H LEU 29 3.590 7.282 -2.245 89 HA LEU 29 HA LEU 29 1.490 9.196 -1.499 90 1HB LEU 29 2HB LEU 29 2.874 7.046 0.092 91 2HB LEU 29 1HB LEU 29 1.914 8.306 0.846 92 HG LEU 29 HG LEU 29 0.552 6.351 0.656 93 1HD1 LEU 29 1HD1 LEU 29 -1.307 7.178 -0.646 94 2HD1 LEU 29 2HD1 LEU 29 -0.241 8.270 -1.530 95 3HD1 LEU 29 3HD1 LEU 29 -0.526 8.519 0.192 96 1HD2 LEU 29 1HD2 LEU 29 0.419 4.967 -1.139 97 2HD2 LEU 29 2HD2 LEU 29 2.039 5.605 -1.419 98 3HD2 LEU 29 3HD2 LEU 29 0.665 6.269 -2.304 99 H THR 30 H THR 30 2.001 10.854 0.003 100 HA THR 30 HA THR 30 4.865 11.543 0.049 101 HB THR 30 HB THR 30 2.515 13.450 0.060 102 HG1 THR 30 1HG THR 30 2.541 13.289 -2.012 103 1HG2 THR 30 1HG2 THR 30 4.805 14.166 1.028 104 2HG2 THR 30 2HG2 THR 30 3.977 15.213 -0.125 105 3HG2 THR 30 3HG2 THR 30 5.310 14.192 -0.662 106 H ALA 31 H ALA 31 5.689 12.554 1.926 107 HA ALA 31 HA ALA 31 4.261 11.808 4.355 108 1HB ALA 31 1HB ALA 31 6.941 13.031 4.545 109 2HB ALA 31 2HB ALA 31 6.842 11.487 3.699 110 3HB ALA 31 3HB ALA 31 6.274 11.618 5.363 111 H ASP 32 H ASP 32 2.804 13.311 4.947 112 HA ASP 32 HA ASP 32 3.223 16.114 4.552 113 1HB ASP 32 2HB ASP 32 1.122 14.559 6.064 114 2HB ASP 32 1HB ASP 32 1.120 16.317 5.949 115 HA PRO 33 HA PRO 33 5.281 17.089 8.332 116 1HB PRO 33 2HB PRO 33 3.958 19.666 8.523 117 2HB PRO 33 1HB PRO 33 5.620 19.306 8.051 118 1HG PRO 33 2HG PRO 33 3.744 20.253 6.317 119 2HG PRO 33 1HG PRO 33 5.109 19.239 5.821 120 1HD PRO 33 2HD PRO 33 2.252 18.476 6.298 121 2HD PRO 33 1HD PRO 33 3.365 17.945 5.018 122 H VAL 34 H VAL 34 1.995 16.581 8.255 123 HA VAL 34 HA VAL 34 1.600 17.281 11.072 124 HB VAL 34 HB VAL 34 -0.735 16.111 9.813 125 1HG1 VAL 34 1HG1 VAL 34 -1.158 17.339 11.711 126 2HG1 VAL 34 2HG1 VAL 34 -1.573 18.499 10.448 127 3HG1 VAL 34 3HG1 VAL 34 -0.019 18.613 11.274 128 1HG2 VAL 34 1HG2 VAL 34 0.488 18.511 8.455 129 2HG2 VAL 34 2HG2 VAL 34 -1.195 18.018 8.274 130 3HG2 VAL 34 3HG2 VAL 34 0.100 16.952 7.727 131 H THR 35 H THR 35 0.574 14.578 8.977 132 HA THR 35 HA THR 35 1.064 12.769 11.245 133 HB THR 35 HB THR 35 -1.265 12.843 10.447 134 HG1 THR 35 1HG THR 35 0.128 10.435 9.919 135 1HG2 THR 35 1HG2 THR 35 -0.589 13.278 8.013 136 2HG2 THR 35 2HG2 THR 35 -1.969 12.226 8.329 137 3HG2 THR 35 3HG2 THR 35 -0.406 11.527 7.907 138 H GLY 36 H GLY 36 1.472 13.112 7.739 139 1HA GLY 36 2HA GLY 36 3.451 12.466 6.601 140 2HA GLY 36 1HA GLY 36 3.818 11.365 7.920 141 H PHE 37 H PHE 37 2.713 9.372 8.044 142 HA PHE 37 HA PHE 37 1.279 8.582 5.613 143 1HB PHE 37 2HB PHE 37 3.544 7.056 6.918 144 2HB PHE 37 1HB PHE 37 2.496 6.400 5.666 145 HD1 PHE 37 1HD PHE 37 2.733 7.062 3.373 146 HD2 PHE 37 2HD PHE 37 5.164 8.803 6.400 147 HE1 PHE 37 1HE PHE 37 4.221 7.981 1.642 148 HE2 PHE 37 2HE PHE 37 6.657 9.723 4.676 149 HZ PHE 37 HZ PHE 37 6.190 9.314 2.290 150 H GLY 38 H GLY 38 -0.495 8.988 7.153 151 1HA GLY 38 2HA GLY 38 -0.863 7.418 9.473 152 2HA GLY 38 1HA GLY 38 -2.126 8.268 8.599 153 H ILE 39 H ILE 39 -0.442 6.132 6.581 154 HA ILE 39 HA ILE 39 -2.697 4.274 6.659 155 HB ILE 39 HB ILE 39 -2.131 5.181 4.478 156 1HG1 ILE 39 2HG1 ILE 39 -1.185 2.321 4.440 157 2HG1 ILE 39 1HG1 ILE 39 -2.858 2.730 4.821 158 1HG2 ILE 39 1HG2 ILE 39 -0.033 5.609 3.919 159 2HG2 ILE 39 2HG2 ILE 39 0.304 3.880 3.866 160 3HG2 ILE 39 3HG2 ILE 39 0.539 4.779 5.365 161 1HD1 ILE 39 1HD1 ILE 39 -1.924 4.043 2.413 162 2HD1 ILE 39 2HD1 ILE 39 -3.354 3.050 2.682 163 3HD1 ILE 39 3HD1 ILE 39 -1.807 2.286 2.318 164 H GLN 40 H GLN 40 -2.532 2.258 7.410 165 HA GLN 40 HA GLN 40 0.141 1.277 8.154 166 1HB GLN 40 2HB GLN 40 -2.114 1.627 9.740 167 2HB GLN 40 1HB GLN 40 -2.086 -0.101 9.425 168 1HG GLN 40 2HG GLN 40 -0.903 0.328 11.451 169 2HG GLN 40 1HG GLN 40 0.256 -0.163 10.217 170 1HE2 GLN 40 1HE2 GLN 40 -1.306 2.918 11.032 171 2HE2 GLN 40 2HE2 GLN 40 0.166 3.820 11.184 172 H LEU 41 H LEU 41 0.824 -0.681 7.469 173 HA LEU 41 HA LEU 41 -1.075 -2.324 5.935 174 1HB LEU 41 2HB LEU 41 1.094 -2.912 4.579 175 2HB LEU 41 1HB LEU 41 0.136 -1.499 4.180 176 HG LEU 41 HG LEU 41 2.294 -1.015 6.126 177 1HD1 LEU 41 1HD1 LEU 41 3.136 -2.710 4.326 178 2HD1 LEU 41 2HD1 LEU 41 4.114 -1.306 4.756 179 3HD1 LEU 41 3HD1 LEU 41 3.144 -1.288 3.283 180 1HD2 LEU 41 1HD2 LEU 41 2.054 0.492 3.604 181 2HD2 LEU 41 2HD2 LEU 41 2.226 1.067 5.262 182 3HD2 LEU 41 3HD2 LEU 41 0.650 0.543 4.671 183 H GLN 42 H GLN 42 -1.322 -4.207 6.920 184 HA GLN 42 HA GLN 42 0.378 -5.209 8.918 185 1HB GLN 42 2HB GLN 42 -1.818 -6.451 7.278 186 2HB GLN 42 1HB GLN 42 -0.915 -7.390 8.460 187 1HG GLN 42 2HG GLN 42 -1.561 -5.462 10.081 188 2HG GLN 42 1HG GLN 42 -2.813 -5.130 8.886 189 1HE2 GLN 42 1HE2 GLN 42 -3.769 -7.411 8.094 190 2HE2 GLN 42 2HE2 GLN 42 -4.362 -8.379 9.404 191 H GLY 43 H GLY 43 1.762 -7.039 8.917 192 1HA GLY 43 2HA GLY 43 3.147 -7.383 6.355 193 2HA GLY 43 1HA GLY 43 3.809 -7.749 7.940 194 H SER 44 H SER 44 0.596 -8.817 7.244 195 HA SER 44 HA SER 44 1.147 -11.286 6.036 196 1HB SER 44 2HB SER 44 2.349 -11.724 8.165 197 2HB SER 44 1HB SER 44 0.840 -11.466 9.042 198 HG SER 44 HG SER 44 0.491 -13.498 8.685 199 H VAL 45 H VAL 45 -0.730 -12.952 6.958 200 HA VAL 45 HA VAL 45 -3.210 -11.388 6.700 201 HB VAL 45 HB VAL 45 -2.713 -14.266 5.924 202 1HG1 VAL 45 1HG1 VAL 45 -5.149 -12.602 6.102 203 2HG1 VAL 45 2HG1 VAL 45 -4.952 -14.348 6.253 204 3HG1 VAL 45 3HG1 VAL 45 -4.981 -13.599 4.657 205 1HG2 VAL 45 1HG2 VAL 45 -3.409 -12.230 3.902 206 2HG2 VAL 45 2HG2 VAL 45 -2.322 -13.613 3.794 207 3HG2 VAL 45 3HG2 VAL 45 -1.787 -12.131 4.586 208 H PHE 46 H PHE 46 -1.439 -13.060 8.948 209 HA PHE 46 HA PHE 46 -3.758 -13.336 10.675 210 1HB PHE 46 2HB PHE 46 -2.600 -15.594 9.390 211 2HB PHE 46 1HB PHE 46 -2.179 -15.684 11.096 212 HD1 PHE 46 1HD PHE 46 -4.532 -14.539 12.387 213 HD2 PHE 46 2HD PHE 46 -4.251 -17.170 9.055 214 HE1 PHE 46 1HE PHE 46 -6.777 -15.412 12.893 215 HE2 PHE 46 2HE PHE 46 -6.496 -18.047 9.553 216 HZ PHE 46 HZ PHE 46 -7.760 -17.169 11.474 217 H ALA 47 H ALA 47 -2.819 -11.612 11.819 218 HA ALA 47 HA ALA 47 -0.163 -11.916 12.934 219 1HB ALA 47 1HB ALA 47 -0.880 -9.715 12.203 220 2HB ALA 47 2HB ALA 47 -0.577 -9.713 13.941 221 3HB ALA 47 3HB ALA 47 -2.233 -9.759 13.335 222 H THR 48 H THR 48 -0.611 -13.866 14.153 223 HA THR 48 HA THR 48 -1.239 -13.313 16.847 224 HB THR 48 HB THR 48 -3.076 -15.330 15.598 225 HG1 THR 48 1HG THR 48 -4.352 -13.814 14.943 226 1HG2 THR 48 1HG2 THR 48 -3.593 -15.694 17.719 227 2HG2 THR 48 2HG2 THR 48 -4.344 -14.098 17.716 228 3HG2 THR 48 3HG2 THR 48 -2.678 -14.288 18.263 229 H GLU 49 H GLU 49 -0.781 -15.736 14.388 230 HA GLU 49 HA GLU 49 1.399 -16.944 15.709 231 1HB GLU 49 2HB GLU 49 -1.053 -17.793 16.708 232 2HB GLU 49 1HB GLU 49 -0.595 -19.062 15.581 233 1HG GLU 49 2HG GLU 49 0.999 -19.836 16.927 234 2HG GLU 49 1HG GLU 49 1.599 -18.219 17.298 235 H THR 50 H THR 50 2.551 -18.242 14.344 236 HA THR 50 HA THR 50 3.233 -19.165 12.381 237 HB THR 50 HB THR 50 0.520 -19.773 11.406 238 HG1 THR 50 1HG THR 50 -0.144 -20.247 13.348 239 1HG2 THR 50 1HG2 THR 50 2.233 -21.996 12.115 240 2HG2 THR 50 2HG2 THR 50 3.022 -20.845 11.035 241 3HG2 THR 50 3HG2 THR 50 1.488 -21.583 10.572 242 H LEU 51 H LEU 51 3.781 -16.966 11.736 243 HA LEU 51 HA LEU 51 1.964 -15.755 9.787 244 1HB LEU 51 2HB LEU 51 2.822 -14.232 11.431 245 2HB LEU 51 1HB LEU 51 4.469 -14.747 11.125 246 HG LEU 51 HG LEU 51 2.892 -13.514 8.904 247 1HD1 LEU 51 1HD1 LEU 51 2.572 -11.994 10.773 248 2HD1 LEU 51 2HD1 LEU 51 3.679 -11.300 9.587 249 3HD1 LEU 51 3HD1 LEU 51 4.309 -11.988 11.084 250 1HD2 LEU 51 1HD2 LEU 51 5.391 -12.573 8.705 251 2HD2 LEU 51 2HD2 LEU 51 4.882 -14.111 8.013 252 3HD2 LEU 51 3HD2 LEU 51 5.714 -14.077 9.567 253 H SER 52 H SER 52 2.245 -16.035 7.680 254 HA SER 52 HA SER 52 4.854 -16.206 6.498 255 1HB SER 52 2HB SER 52 3.770 -18.595 7.360 256 2HB SER 52 1HB SER 52 3.351 -18.550 5.648 257 HG SER 52 HG SER 52 5.417 -19.498 6.044 258 H SER 53 H SER 53 2.267 -14.737 6.351 259 HA SER 53 HA SER 53 1.637 -15.169 3.513 260 1HB SER 53 2HB SER 53 -0.036 -14.761 5.790 261 2HB SER 53 1HB SER 53 -0.235 -13.382 4.709 262 HG SER 53 HG SER 53 -0.382 -16.087 3.872 263 HA PRO 54 HA PRO 54 3.526 -11.366 2.325 264 1HB PRO 54 2HB PRO 54 1.138 -10.859 0.642 265 2HB PRO 54 1HB PRO 54 2.837 -10.979 0.176 266 1HG PRO 54 2HG PRO 54 1.116 -12.937 -0.394 267 2HG PRO 54 1HG PRO 54 2.788 -13.291 0.082 268 1HD PRO 54 2HD PRO 54 0.275 -13.487 1.692 269 2HD PRO 54 1HD PRO 54 1.688 -14.562 1.669 270 HA PRO 55 HA PRO 55 1.719 -7.965 4.484 271 1HB PRO 55 2HB PRO 55 2.221 -5.821 2.894 272 2HB PRO 55 1HB PRO 55 3.483 -6.651 3.814 273 1HG PRO 55 2HG PRO 55 2.752 -6.926 0.923 274 2HG PRO 55 1HG PRO 55 4.359 -6.825 1.666 275 1HD PRO 55 2HD PRO 55 3.266 -9.174 0.885 276 2HD PRO 55 1HD PRO 55 4.352 -9.048 2.283 277 H LEU 56 H LEU 56 -0.079 -6.579 4.622 278 HA LEU 56 HA LEU 56 -1.809 -6.289 2.300 279 1HB LEU 56 2HB LEU 56 -2.378 -8.057 4.612 280 2HB LEU 56 1HB LEU 56 -3.706 -7.068 4.035 281 HG LEU 56 HG LEU 56 -3.100 -8.052 1.701 282 1HD1 LEU 56 1HD1 LEU 56 -1.228 -9.407 3.365 283 2HD1 LEU 56 2HD1 LEU 56 -1.471 -9.552 1.624 284 3HD1 LEU 56 3HD1 LEU 56 -2.377 -10.585 2.730 285 1HD2 LEU 56 1HD2 LEU 56 -4.531 -10.047 2.209 286 2HD2 LEU 56 2HD2 LEU 56 -5.200 -8.501 2.728 287 3HD2 LEU 56 3HD2 LEU 56 -4.461 -9.583 3.907 288 H ILE 57 H ILE 57 -2.705 -4.328 2.293 289 HA ILE 57 HA ILE 57 -2.321 -2.551 4.511 290 HB ILE 57 HB ILE 57 -3.885 -2.120 1.963 291 1HG1 ILE 57 2HG1 ILE 57 -1.076 -1.223 2.619 292 2HG1 ILE 57 1HG1 ILE 57 -1.442 -2.677 1.693 293 1HG2 ILE 57 1HG2 ILE 57 -3.709 0.241 2.439 294 2HG2 ILE 57 2HG2 ILE 57 -2.779 -0.089 3.900 295 3HG2 ILE 57 3HG2 ILE 57 -4.472 -0.575 3.803 296 1HD1 ILE 57 1HD1 ILE 57 -2.305 -1.448 -0.097 297 2HD1 ILE 57 2HD1 ILE 57 -0.855 -0.576 0.398 298 3HD1 ILE 57 3HD1 ILE 57 -2.448 0.022 0.867 299 H SER 58 H SER 58 -3.840 -1.727 5.926 300 HA SER 58 HA SER 58 -6.636 -2.233 5.612 301 1HB SER 58 2HB SER 58 -5.951 -4.466 6.337 302 2HB SER 58 1HB SER 58 -5.157 -3.779 7.752 303 HG SER 58 HG SER 58 -7.904 -3.982 7.176 304 H TYR 59 H TYR 59 -5.437 0.153 5.917 305 HA TYR 59 HA TYR 59 -6.764 1.252 8.130 306 1HB TYR 59 2HB TYR 59 -4.931 0.186 9.403 307 2HB TYR 59 1HB TYR 59 -3.762 1.123 8.476 308 HD1 TYR 59 1HD TYR 59 -6.471 1.337 10.976 309 HD2 TYR 59 2HD TYR 59 -3.329 3.415 8.995 310 HE1 TYR 59 1HE TYR 59 -6.677 3.180 12.592 311 HE2 TYR 59 2HE TYR 59 -3.525 5.261 10.609 312 HH TYR 59 HH TYR 59 -6.154 5.520 12.794 313 H ILE 60 H ILE 60 -7.098 3.354 7.804 314 HA ILE 60 HA ILE 60 -5.201 4.978 6.335 315 HB ILE 60 HB ILE 60 -7.915 5.296 5.242 316 1HG1 ILE 60 2HG1 ILE 60 -6.259 2.860 4.537 317 2HG1 ILE 60 1HG1 ILE 60 -7.833 2.847 5.326 318 1HG2 ILE 60 1HG2 ILE 60 -6.576 5.478 3.133 319 2HG2 ILE 60 2HG2 ILE 60 -5.129 5.202 4.101 320 3HG2 ILE 60 3HG2 ILE 60 -6.126 6.626 4.394 321 1HD1 ILE 60 1HD1 ILE 60 -8.300 4.281 3.031 322 2HD1 ILE 60 2HD1 ILE 60 -8.672 2.578 3.288 323 3HD1 ILE 60 3HD1 ILE 60 -7.159 3.041 2.512 324 H GLU 61 H GLU 61 -5.613 7.252 6.562 325 HA GLU 61 HA GLU 61 -7.310 7.817 8.891 326 1HB GLU 61 2HB GLU 61 -4.681 8.575 8.197 327 2HB GLU 61 1HB GLU 61 -5.654 10.038 8.119 328 1HG GLU 61 2HG GLU 61 -6.424 8.726 10.471 329 2HG GLU 61 1HG GLU 61 -4.666 8.624 10.407 330 H ALA 62 H ALA 62 -8.561 9.737 8.968 331 HA ALA 62 HA ALA 62 -9.886 10.271 6.455 332 1HB ALA 62 1HB ALA 62 -10.443 10.895 9.321 333 2HB ALA 62 2HB ALA 62 -11.433 10.025 8.149 334 3HB ALA 62 3HB ALA 62 -11.289 11.781 8.050 335 H ASP 63 H ASP 63 -7.302 11.173 6.385 336 HA ASP 63 HA ASP 63 -7.443 13.680 5.334 337 1HB ASP 63 2HB ASP 63 -7.584 13.838 8.182 338 2HB ASP 63 1HB ASP 63 -6.032 14.498 7.678 339 H SER 64 H SER 64 -6.051 11.140 5.122 340 HA SER 64 HA SER 64 -3.271 12.110 5.185 341 1HB SER 64 2HB SER 64 -3.885 10.178 6.767 342 2HB SER 64 1HB SER 64 -4.030 9.194 5.310 343 HG SER 64 HG SER 64 -1.731 10.572 6.236 344 HA PRO 65 HA PRO 65 -2.933 11.864 0.799 345 1HB PRO 65 2HB PRO 65 -0.558 10.148 1.410 346 2HB PRO 65 1HB PRO 65 -0.702 11.503 0.285 347 1HG PRO 65 2HG PRO 65 0.462 11.823 2.661 348 2HG PRO 65 1HG PRO 65 -0.565 13.090 1.967 349 1HD PRO 65 2HD PRO 65 -1.109 11.238 4.217 350 2HD PRO 65 1HD PRO 65 -1.751 12.862 3.910 351 H ALA 66 H ALA 66 -2.515 8.880 2.664 352 HA ALA 66 HA ALA 66 -2.868 7.058 0.563 353 1HB ALA 66 1HB ALA 66 -3.309 6.876 3.524 354 2HB ALA 66 2HB ALA 66 -2.031 6.157 2.544 355 3HB ALA 66 3HB ALA 66 -3.673 5.521 2.456 356 H GLU 67 H GLU 67 -5.211 8.557 2.753 357 HA GLU 67 HA GLU 67 -7.473 7.197 1.684 358 1HB GLU 67 2HB GLU 67 -6.927 9.042 3.800 359 2HB GLU 67 1HB GLU 67 -8.264 9.669 2.849 360 1HG GLU 67 2HG GLU 67 -8.087 7.063 4.317 361 2HG GLU 67 1HG GLU 67 -9.218 8.391 4.568 362 H ARG 68 H ARG 68 -6.127 10.447 1.232 363 HA ARG 68 HA ARG 68 -8.105 11.199 -0.696 364 1HB ARG 68 2HB ARG 68 -5.483 12.475 0.086 365 2HB ARG 68 1HB ARG 68 -6.656 13.202 -1.005 366 1HG ARG 68 2HG ARG 68 -7.320 14.215 0.897 367 2HG ARG 68 1HG ARG 68 -8.264 12.735 1.069 368 1HD ARG 68 2HD ARG 68 -5.591 12.412 2.123 369 2HD ARG 68 1HD ARG 68 -6.414 13.776 2.877 370 HE ARG 68 HE ARG 68 -6.891 11.065 3.417 371 1HH1 ARG 68 1HH1 ARG 68 -8.668 14.017 2.815 372 2HH1 ARG 68 2HH1 ARG 68 -10.052 13.516 3.726 373 1HH2 ARG 68 1HH2 ARG 68 -8.717 10.417 4.623 374 2HH2 ARG 68 2HH2 ARG 68 -10.080 11.477 4.750 375 H CYS 69 H CYS 69 -5.403 9.221 -0.886 376 HA CYS 69 HA CYS 69 -4.158 9.860 -3.263 377 1HB CYS 69 2HB CYS 69 -3.394 8.058 -1.785 378 2HB CYS 69 1HB CYS 69 -4.809 7.099 -2.208 379 HG CYS 69 HG CYS 69 -3.230 7.717 -4.685 380 H GLY 70 H GLY 70 -7.178 8.088 -2.757 381 1HA GLY 70 2HA GLY 70 -8.993 8.153 -4.274 382 2HA GLY 70 1HA GLY 70 -7.878 8.615 -5.551 383 H VAL 71 H VAL 71 -5.995 6.446 -4.743 384 HA VAL 71 HA VAL 71 -7.504 4.181 -5.877 385 HB VAL 71 HB VAL 71 -5.361 3.407 -6.853 386 1HG1 VAL 71 1HG1 VAL 71 -7.039 4.849 -8.074 387 2HG1 VAL 71 2HG1 VAL 71 -5.399 4.852 -8.724 388 3HG1 VAL 71 3HG1 VAL 71 -5.967 6.212 -7.753 389 1HG2 VAL 71 1HG2 VAL 71 -3.386 4.609 -6.751 390 2HG2 VAL 71 2HG2 VAL 71 -4.037 4.832 -5.127 391 3HG2 VAL 71 3HG2 VAL 71 -4.202 6.114 -6.329 392 H LEU 72 H LEU 72 -7.000 4.918 -3.028 393 HA LEU 72 HA LEU 72 -5.631 2.434 -2.231 394 1HB LEU 72 2HB LEU 72 -5.198 5.198 -1.373 395 2HB LEU 72 1HB LEU 72 -5.420 4.084 -0.038 396 HG LEU 72 HG LEU 72 -3.325 3.892 -2.201 397 1HD1 LEU 72 1HD1 LEU 72 -1.843 4.057 -0.115 398 2HD1 LEU 72 2HD1 LEU 72 -3.284 4.678 0.690 399 3HD1 LEU 72 3HD1 LEU 72 -2.616 5.529 -0.703 400 1HD2 LEU 72 1HD2 LEU 72 -4.171 1.990 -0.050 401 2HD2 LEU 72 2HD2 LEU 72 -2.499 2.032 -0.606 402 3HD2 LEU 72 3HD2 LEU 72 -3.797 1.667 -1.744 403 H GLN 73 H GLN 73 -6.551 1.236 -0.598 404 HA GLN 73 HA GLN 73 -8.696 2.154 1.020 405 1HB GLN 73 2HB GLN 73 -9.645 1.746 -1.408 406 2HB GLN 73 1HB GLN 73 -9.619 0.062 -0.903 407 1HG GLN 73 2HG GLN 73 -10.801 1.544 1.188 408 2HG GLN 73 1HG GLN 73 -11.537 2.079 -0.323 409 1HE2 GLN 73 1HE2 GLN 73 -11.466 -0.298 2.064 410 2HE2 GLN 73 2HE2 GLN 73 -12.508 -1.454 1.299 411 H ILE 74 H ILE 74 -9.418 0.563 2.524 412 HA ILE 74 HA ILE 74 -7.436 -1.210 3.391 413 HB ILE 74 HB ILE 74 -10.382 -1.259 4.066 414 1HG1 ILE 74 2HG1 ILE 74 -8.044 0.168 5.352 415 2HG1 ILE 74 1HG1 ILE 74 -9.419 0.914 4.544 416 1HG2 ILE 74 1HG2 ILE 74 -8.348 -3.080 4.739 417 2HG2 ILE 74 2HG2 ILE 74 -9.978 -2.982 5.408 418 3HG2 ILE 74 3HG2 ILE 74 -8.652 -2.117 6.184 419 1HD1 ILE 74 1HD1 ILE 74 -10.079 1.169 6.693 420 2HD1 ILE 74 2HD1 ILE 74 -9.213 -0.264 7.247 421 3HD1 ILE 74 3HD1 ILE 74 -10.748 -0.437 6.396 422 H GLY 75 H GLY 75 -6.766 -2.949 2.315 423 1HA GLY 75 2HA GLY 75 -7.729 -5.336 2.029 424 2HA GLY 75 1HA GLY 75 -8.734 -4.546 0.825 425 H ASP 76 H ASP 76 -6.198 -2.773 0.365 426 HA ASP 76 HA ASP 76 -5.342 -4.038 -1.971 427 1HB ASP 76 2HB ASP 76 -4.258 -1.793 -0.309 428 2HB ASP 76 1HB ASP 76 -3.316 -2.411 -1.662 429 H ARG 77 H ARG 77 -3.654 -5.353 -2.484 430 HA ARG 77 HA ARG 77 -2.229 -6.553 -0.209 431 1HB ARG 77 2HB ARG 77 -3.700 -7.823 -2.062 432 2HB ARG 77 1HB ARG 77 -2.146 -7.835 -2.885 433 1HG ARG 77 2HG ARG 77 -1.139 -9.123 -1.218 434 2HG ARG 77 1HG ARG 77 -2.418 -8.776 -0.053 435 1HD ARG 77 2HD ARG 77 -3.680 -9.976 -2.252 436 2HD ARG 77 1HD ARG 77 -2.218 -10.917 -1.963 437 HE ARG 77 HE ARG 77 -3.721 -10.374 0.423 438 1HH1 ARG 77 1HH1 ARG 77 -3.377 -12.520 -2.306 439 2HH1 ARG 77 2HH1 ARG 77 -4.126 -13.860 -1.507 440 1HH2 ARG 77 1HH2 ARG 77 -4.702 -12.137 1.479 441 2HH2 ARG 77 2HH2 ARG 77 -4.878 -13.644 0.643 442 H VAL 78 H VAL 78 -0.461 -5.246 0.030 443 HA VAL 78 HA VAL 78 1.073 -4.203 -2.103 444 HB VAL 78 HB VAL 78 2.252 -4.731 0.607 445 1HG1 VAL 78 1HG1 VAL 78 3.794 -3.769 -0.887 446 2HG1 VAL 78 2HG1 VAL 78 3.221 -2.436 0.114 447 3HG1 VAL 78 3HG1 VAL 78 2.597 -2.640 -1.523 448 1HG2 VAL 78 1HG2 VAL 78 1.079 -2.160 0.618 449 2HG2 VAL 78 2HG2 VAL 78 0.685 -3.539 1.643 450 3HG2 VAL 78 3HG2 VAL 78 -0.176 -3.296 0.125 451 H MET 79 H MET 79 3.175 -4.802 -2.827 452 HA MET 79 HA MET 79 3.992 -7.553 -2.224 453 1HB MET 79 2HB MET 79 2.597 -7.430 -4.339 454 2HB MET 79 1HB MET 79 3.897 -6.480 -5.043 455 1HG MET 79 2HG MET 79 4.073 -8.794 -5.712 456 2HG MET 79 1HG MET 79 5.443 -8.338 -4.700 457 1HE MET 79 1HE MET 79 6.297 -10.192 -2.993 458 2HE MET 79 2HE MET 79 5.217 -10.410 -1.615 459 3HE MET 79 3HE MET 79 5.584 -8.788 -2.198 460 H ALA 80 H ALA 80 4.975 -4.849 -4.348 461 HA ALA 80 HA ALA 80 7.662 -5.017 -3.145 462 1HB ALA 80 1HB ALA 80 8.297 -4.100 -5.557 463 2HB ALA 80 2HB ALA 80 6.844 -5.002 -5.991 464 3HB ALA 80 3HB ALA 80 8.189 -5.824 -5.201 465 H ILE 81 H ILE 81 7.397 -3.296 -1.747 466 HA ILE 81 HA ILE 81 6.398 -0.759 -2.708 467 HB ILE 81 HB ILE 81 7.693 -1.387 -0.053 468 1HG1 ILE 81 2HG1 ILE 81 4.742 -1.084 -0.377 469 2HG1 ILE 81 1HG1 ILE 81 5.475 -2.610 -0.871 470 1HG2 ILE 81 1HG2 ILE 81 5.906 0.652 0.336 471 2HG2 ILE 81 2HG2 ILE 81 6.575 1.029 -1.251 472 3HG2 ILE 81 3HG2 ILE 81 7.648 0.841 0.135 473 1HD1 ILE 81 1HD1 ILE 81 5.566 -1.353 1.859 474 2HD1 ILE 81 2HD1 ILE 81 6.465 -2.797 1.395 475 3HD1 ILE 81 3HD1 ILE 81 4.701 -2.812 1.378 476 H ASN 82 H ASN 82 7.585 0.773 -3.627 477 HA ASN 82 HA ASN 82 9.403 1.792 -4.572 478 1HB ASN 82 2HB ASN 82 10.950 2.745 -2.958 479 2HB ASN 82 1HB ASN 82 9.314 2.796 -2.311 480 1HD2 ASN 82 1HD2 ASN 82 12.471 1.421 -2.025 481 2HD2 ASN 82 2HD2 ASN 82 12.225 0.651 -0.492 482 H GLY 83 H GLY 83 9.437 -1.102 -4.727 483 1HA GLY 83 2HA GLY 83 11.049 -2.372 -5.933 484 2HA GLY 83 1HA GLY 83 12.321 -1.435 -5.160 485 H ILE 84 H ILE 84 11.339 -1.664 -2.492 486 HA ILE 84 HA ILE 84 12.328 -4.317 -1.893 487 HB ILE 84 HB ILE 84 11.400 -2.253 0.091 488 1HG1 ILE 84 2HG1 ILE 84 13.121 -1.431 -1.651 489 2HG1 ILE 84 1HG1 ILE 84 13.491 -1.192 0.053 490 1HG2 ILE 84 1HG2 ILE 84 11.757 -4.202 1.264 491 2HG2 ILE 84 2HG2 ILE 84 13.339 -3.429 1.372 492 3HG2 ILE 84 3HG2 ILE 84 13.068 -4.725 0.207 493 1HD1 ILE 84 1HD1 ILE 84 14.489 -3.712 -1.043 494 2HD1 ILE 84 2HD1 ILE 84 15.297 -2.505 -0.042 495 3HD1 ILE 84 3HD1 ILE 84 15.176 -2.268 -1.785 496 HA PRO 85 HA PRO 85 8.051 -5.636 -1.346 497 1HB PRO 85 2HB PRO 85 8.419 -8.226 -1.828 498 2HB PRO 85 1HB PRO 85 8.529 -7.039 -3.134 499 1HG PRO 85 2HG PRO 85 10.707 -8.459 -1.671 500 2HG PRO 85 1HG PRO 85 10.616 -7.996 -3.379 501 1HD PRO 85 2HD PRO 85 11.966 -6.598 -1.349 502 2HD PRO 85 1HD PRO 85 11.580 -5.983 -2.967 503 H THR 86 H THR 86 10.310 -5.521 0.821 504 HA THR 86 HA THR 86 10.513 -6.073 3.010 505 HB THR 86 HB THR 86 8.585 -6.457 4.251 506 HG1 THR 86 1HG THR 86 7.352 -7.687 2.021 507 1HG2 THR 86 1HG2 THR 86 8.275 -4.436 2.876 508 2HG2 THR 86 2HG2 THR 86 6.758 -5.223 3.311 509 3HG2 THR 86 3HG2 THR 86 7.416 -5.413 1.686 510 H GLU 87 H GLU 87 11.656 -7.648 3.928 511 HA GLU 87 HA GLU 87 10.983 -10.429 3.545 512 1HB GLU 87 2HB GLU 87 12.803 -9.244 1.770 513 2HB GLU 87 1HB GLU 87 13.793 -10.140 2.912 514 1HG GLU 87 2HG GLU 87 12.517 -12.163 2.444 515 2HG GLU 87 1HG GLU 87 11.506 -11.266 1.311 516 H ASP 88 H ASP 88 12.004 -11.810 5.037 517 HA ASP 88 HA ASP 88 12.899 -12.384 7.046 518 1HB ASP 88 2HB ASP 88 14.805 -10.638 5.805 519 2HB ASP 88 1HB ASP 88 14.807 -10.346 7.542 520 H SER 89 H SER 89 10.703 -10.379 6.845 521 HA SER 89 HA SER 89 10.324 -9.868 9.562 522 1HB SER 89 2HB SER 89 11.659 -7.679 8.032 523 2HB SER 89 1HB SER 89 10.426 -7.236 9.211 524 HG SER 89 HG SER 89 11.668 -7.948 10.809 525 H THR 90 H THR 90 9.734 -8.424 6.370 526 HA THR 90 HA THR 90 7.817 -7.988 5.230 527 HB THR 90 HB THR 90 6.001 -9.296 7.155 528 HG1 THR 90 1HG THR 90 7.942 -10.825 5.769 529 1HG2 THR 90 1HG2 THR 90 4.825 -9.412 5.287 530 2HG2 THR 90 2HG2 THR 90 5.968 -10.628 4.718 531 3HG2 THR 90 3HG2 THR 90 6.214 -8.929 4.312 532 H PHE 91 H PHE 91 6.574 -8.092 8.570 533 HA PHE 91 HA PHE 91 5.117 -5.675 8.244 534 1HB PHE 91 2HB PHE 91 4.465 -7.494 9.811 535 2HB PHE 91 1HB PHE 91 5.855 -7.090 10.813 536 HD1 PHE 91 1HD PHE 91 5.434 -5.803 12.656 537 HD2 PHE 91 2HD PHE 91 2.974 -5.329 9.216 538 HE1 PHE 91 1HE PHE 91 4.080 -4.135 13.858 539 HE2 PHE 91 2HE PHE 91 1.617 -3.660 10.411 540 HZ PHE 91 HZ PHE 91 2.169 -3.062 12.735 541 H GLU 92 H GLU 92 8.081 -6.482 10.036 542 HA GLU 92 HA GLU 92 8.517 -3.842 10.977 543 1HB GLU 92 2HB GLU 92 9.727 -6.394 11.296 544 2HB GLU 92 1HB GLU 92 10.987 -5.276 10.793 545 1HG GLU 92 2HG GLU 92 10.308 -3.760 12.631 546 2HG GLU 92 1HG GLU 92 9.158 -4.985 13.165 547 H GLU 93 H GLU 93 9.801 -5.666 8.212 548 HA GLU 93 HA GLU 93 11.607 -3.705 7.337 549 1HB GLU 93 2HB GLU 93 11.723 -6.016 6.575 550 2HB GLU 93 1HB GLU 93 10.157 -5.859 5.790 551 1HG GLU 93 2HG GLU 93 12.058 -5.744 4.235 552 2HG GLU 93 1HG GLU 93 11.035 -4.308 4.205 553 H ALA 94 H ALA 94 8.233 -4.371 6.455 554 HA ALA 94 HA ALA 94 7.956 -2.449 4.451 555 1HB ALA 94 1HB ALA 94 5.587 -2.651 4.765 556 2HB ALA 94 2HB ALA 94 5.808 -3.302 6.389 557 3HB ALA 94 3HB ALA 94 6.312 -4.243 4.986 558 H ASN 95 H ASN 95 7.418 -2.190 7.954 559 HA ASN 95 HA ASN 95 6.520 0.465 8.004 560 1HB ASN 95 2HB ASN 95 7.809 -1.360 9.997 561 2HB ASN 95 1HB ASN 95 7.667 0.351 10.388 562 1HD2 ASN 95 1HD2 ASN 95 5.532 -1.930 8.702 563 2HD2 ASN 95 2HD2 ASN 95 4.163 -1.669 9.732 564 H GLN 96 H GLN 96 9.767 -0.908 7.993 565 HA GLN 96 HA GLN 96 11.190 1.438 8.524 566 1HB GLN 96 2HB GLN 96 12.231 -0.748 8.683 567 2HB GLN 96 1HB GLN 96 11.975 -1.028 6.967 568 1HG GLN 96 2HG GLN 96 14.124 -0.386 6.856 569 2HG GLN 96 1HG GLN 96 13.400 1.220 6.816 570 1HE2 GLN 96 1HE2 GLN 96 14.057 -1.132 9.391 571 2HE2 GLN 96 2HE2 GLN 96 14.938 -0.035 10.403 572 H LEU 97 H LEU 97 10.208 -0.079 5.472 573 HA LEU 97 HA LEU 97 11.379 1.901 3.801 574 1HB LEU 97 2HB LEU 97 9.022 0.182 3.062 575 2HB LEU 97 1HB LEU 97 10.245 0.853 2.000 576 HG LEU 97 HG LEU 97 10.994 -1.159 4.093 577 1HD1 LEU 97 1HD1 LEU 97 10.712 -2.914 2.383 578 2HD1 LEU 97 2HD1 LEU 97 9.898 -1.741 1.349 579 3HD1 LEU 97 3HD1 LEU 97 9.182 -2.200 2.894 580 1HD2 LEU 97 1HD2 LEU 97 12.824 -1.615 2.596 581 2HD2 LEU 97 2HD2 LEU 97 12.745 0.120 2.904 582 3HD2 LEU 97 3HD2 LEU 97 12.144 -0.534 1.380 583 H LEU 98 H LEU 98 8.309 1.555 5.412 584 HA LEU 98 HA LEU 98 7.029 3.701 4.000 585 1HB LEU 98 2HB LEU 98 5.321 2.467 4.747 586 2HB LEU 98 1HB LEU 98 6.305 1.701 5.977 587 HG LEU 98 HG LEU 98 5.955 3.705 7.419 588 1HD1 LEU 98 1HD1 LEU 98 4.780 4.715 5.000 589 2HD1 LEU 98 2HD1 LEU 98 5.170 5.562 6.495 590 3HD1 LEU 98 3HD1 LEU 98 3.610 4.760 6.319 591 1HD2 LEU 98 1HD2 LEU 98 4.586 2.019 8.107 592 2HD2 LEU 98 2HD2 LEU 98 3.802 1.864 6.535 593 3HD2 LEU 98 3HD2 LEU 98 3.364 3.189 7.613 594 H ARG 99 H ARG 99 8.879 3.341 6.940 595 HA ARG 99 HA ARG 99 8.217 5.965 7.934 596 1HB ARG 99 2HB ARG 99 9.707 3.638 8.882 597 2HB ARG 99 1HB ARG 99 10.499 5.156 9.278 598 1HG ARG 99 2HG ARG 99 8.959 5.709 10.802 599 2HG ARG 99 1HG ARG 99 7.621 5.127 9.812 600 1HD ARG 99 2HD ARG 99 7.737 3.002 10.661 601 2HD ARG 99 1HD ARG 99 9.459 3.123 11.015 602 HE ARG 99 HE ARG 99 8.909 3.808 13.113 603 1HH1 ARG 99 1HH1 ARG 99 6.194 4.451 11.016 604 2HH1 ARG 99 2HH1 ARG 99 5.174 5.006 12.301 605 1HH2 ARG 99 1HH2 ARG 99 7.567 4.536 14.804 606 2HH2 ARG 99 2HH2 ARG 99 5.953 5.055 14.450 607 H ASP 100 H ASP 100 10.728 4.513 5.995 608 HA ASP 100 HA ASP 100 12.586 6.655 6.192 609 1HB ASP 100 2HB ASP 100 12.370 4.137 4.738 610 2HB ASP 100 1HB ASP 100 13.109 5.408 3.770 611 H SER 101 H SER 101 9.609 6.428 4.661 612 HA SER 101 HA SER 101 10.143 7.979 2.333 613 1HB SER 101 2HB SER 101 7.507 7.559 3.756 614 2HB SER 101 1HB SER 101 7.731 8.070 2.084 615 HG SER 101 HG SER 101 7.327 5.704 2.681 616 H SER 102 H SER 102 9.714 8.731 5.652 617 HA SER 102 HA SER 102 8.639 11.334 5.424 618 1HB SER 102 2HB SER 102 9.232 11.618 7.720 619 2HB SER 102 1HB SER 102 8.777 9.924 7.531 620 HG SER 102 HG SER 102 10.669 9.509 8.328 621 H ILE 103 H ILE 103 11.920 10.067 5.350 622 HA ILE 103 HA ILE 103 13.340 12.460 5.561 623 HB ILE 103 HB ILE 103 14.150 10.107 3.861 624 1HG1 ILE 103 2HG1 ILE 103 13.912 10.426 6.794 625 2HG1 ILE 103 1HG1 ILE 103 13.849 8.979 5.800 626 1HG2 ILE 103 1HG2 ILE 103 15.803 12.125 5.360 627 2HG2 ILE 103 2HG2 ILE 103 15.503 12.141 3.622 628 3HG2 ILE 103 3HG2 ILE 103 16.408 10.813 4.351 629 1HD1 ILE 103 1HD1 ILE 103 16.392 9.324 5.541 630 2HD1 ILE 103 2HD1 ILE 103 15.758 8.662 7.048 631 3HD1 ILE 103 3HD1 ILE 103 16.220 10.361 6.958 632 H THR 104 H THR 104 12.399 10.704 2.602 633 HA THR 104 HA THR 104 13.068 12.983 0.954 634 HB THR 104 HB THR 104 12.637 11.592 -0.911 635 HG1 THR 104 1HG THR 104 11.504 9.610 -0.675 636 1HG2 THR 104 1HG2 THR 104 14.345 10.688 1.058 637 2HG2 THR 104 2HG2 THR 104 14.284 10.142 -0.618 638 3HG2 THR 104 3HG2 THR 104 13.395 9.266 0.628 639 H SER 105 H SER 105 10.419 12.056 2.769 640 HA SER 105 HA SER 105 8.293 12.822 2.961 641 1HB SER 105 2HB SER 105 9.786 15.000 2.131 642 2HB SER 105 1HB SER 105 8.441 14.975 0.991 643 HG SER 105 HG SER 105 7.043 15.303 2.602 644 H LYS 106 H LYS 106 9.228 11.079 0.582 645 HA LYS 106 HA LYS 106 6.621 10.929 -0.635 646 1HB LYS 106 2HB LYS 106 7.649 12.633 -2.039 647 2HB LYS 106 1HB LYS 106 9.053 11.613 -2.298 648 1HG LYS 106 2HG LYS 106 7.868 11.328 -4.251 649 2HG LYS 106 1HG LYS 106 7.353 9.937 -3.298 650 1HD LYS 106 2HD LYS 106 5.473 11.059 -4.430 651 2HD LYS 106 1HD LYS 106 5.310 11.076 -2.674 652 1HE LYS 106 2HE LYS 106 5.488 13.322 -2.553 653 2HE LYS 106 1HE LYS 106 6.704 13.395 -3.829 654 1HZ LYS 106 1HZ LYS 106 5.110 13.480 -5.466 655 2HZ LYS 106 2HZ LYS 106 4.361 14.371 -4.239 656 3HZ LYS 106 3HZ LYS 106 3.912 12.763 -4.510 657 H VAL 107 H VAL 107 6.208 8.938 -1.599 658 HA VAL 107 HA VAL 107 8.355 7.020 -1.917 659 HB VAL 107 HB VAL 107 7.807 6.904 0.493 660 1HG1 VAL 107 1HG1 VAL 107 5.317 7.402 0.017 661 2HG1 VAL 107 2HG1 VAL 107 5.732 6.294 1.325 662 3HG1 VAL 107 3HG1 VAL 107 5.186 5.660 -0.228 663 1HG2 VAL 107 1HG2 VAL 107 7.143 4.474 -1.161 664 2HG2 VAL 107 2HG2 VAL 107 7.508 4.443 0.564 665 3HG2 VAL 107 3HG2 VAL 107 8.737 4.965 -0.589 666 H THR 108 H THR 108 7.788 5.172 -3.079 667 HA THR 108 HA THR 108 5.090 5.190 -4.266 668 HB THR 108 HB THR 108 6.416 4.073 -6.258 669 HG1 THR 108 1HG THR 108 8.391 5.729 -5.076 670 1HG2 THR 108 1HG2 THR 108 6.974 6.962 -6.192 671 2HG2 THR 108 2HG2 THR 108 5.292 6.479 -5.985 672 3HG2 THR 108 3HG2 THR 108 6.180 5.981 -7.422 673 H LEU 109 H LEU 109 3.982 3.353 -3.942 674 HA LEU 109 HA LEU 109 5.519 0.904 -3.364 675 1HB LEU 109 2HB LEU 109 3.530 0.284 -1.897 676 2HB LEU 109 1HB LEU 109 4.641 1.496 -1.287 677 HG LEU 109 HG LEU 109 2.507 2.765 -2.747 678 1HD1 LEU 109 1HD1 LEU 109 1.343 0.638 -2.033 679 2HD1 LEU 109 2HD1 LEU 109 0.612 2.147 -1.489 680 3HD1 LEU 109 3HD1 LEU 109 1.574 1.179 -0.371 681 1HD2 LEU 109 1HD2 LEU 109 3.525 2.833 0.081 682 2HD2 LEU 109 2HD2 LEU 109 2.192 3.841 -0.480 683 3HD2 LEU 109 3HD2 LEU 109 3.790 4.009 -1.206 684 H GLU 110 H GLU 110 4.680 -1.057 -4.050 685 HA GLU 110 HA GLU 110 2.671 -0.854 -6.181 686 1HB GLU 110 2HB GLU 110 4.867 -2.843 -5.632 687 2HB GLU 110 1HB GLU 110 3.564 -3.192 -6.760 688 1HG GLU 110 2HG GLU 110 4.341 -0.792 -7.683 689 2HG GLU 110 1HG GLU 110 5.869 -1.382 -7.027 690 H ILE 111 H ILE 111 0.723 -1.789 -5.939 691 HA ILE 111 HA ILE 111 0.374 -3.816 -3.857 692 HB ILE 111 HB ILE 111 -1.961 -2.448 -3.644 693 1HG1 ILE 111 2HG1 ILE 111 -0.100 -0.190 -3.330 694 2HG1 ILE 111 1HG1 ILE 111 -0.433 -0.642 -5.000 695 1HG2 ILE 111 1HG2 ILE 111 -0.928 -1.518 -1.518 696 2HG2 ILE 111 2HG2 ILE 111 0.566 -2.296 -2.038 697 3HG2 ILE 111 3HG2 ILE 111 -0.874 -3.267 -1.735 698 1HD1 ILE 111 1HD1 ILE 111 -2.194 0.550 -2.973 699 2HD1 ILE 111 2HD1 ILE 111 -2.919 -0.633 -4.062 700 3HD1 ILE 111 3HD1 ILE 111 -2.124 0.798 -4.719 701 H GLU 112 H GLU 112 -1.558 -5.096 -4.064 702 HA GLU 112 HA GLU 112 -2.349 -5.402 -6.858 703 1HB GLU 112 2HB GLU 112 -1.576 -7.301 -5.191 704 2HB GLU 112 1HB GLU 112 -3.268 -7.260 -4.708 705 1HG GLU 112 2HG GLU 112 -3.896 -7.622 -7.083 706 2HG GLU 112 1HG GLU 112 -2.184 -7.810 -7.461 707 H PHE 113 H PHE 113 -4.256 -4.741 -7.595 708 HA PHE 113 HA PHE 113 -6.366 -4.103 -5.631 709 1HB PHE 113 2HB PHE 113 -7.050 -2.263 -7.027 710 2HB PHE 113 1HB PHE 113 -5.311 -2.123 -6.769 711 HD1 PHE 113 1HD PHE 113 -7.893 -3.175 -9.180 712 HD2 PHE 113 2HD PHE 113 -3.803 -2.187 -8.580 713 HE1 PHE 113 1HE PHE 113 -7.532 -3.183 -11.608 714 HE2 PHE 113 2HE PHE 113 -3.441 -2.184 -11.012 715 HZ PHE 113 HZ PHE 113 -5.317 -2.702 -12.523 716 H ASP 114 H ASP 114 -8.596 -4.153 -6.576 717 HA ASP 114 HA ASP 114 -8.825 -6.284 -8.599 718 1HB ASP 114 2HB ASP 114 -10.779 -5.807 -6.346 719 2HB ASP 114 1HB ASP 114 -10.729 -7.178 -7.451 720 H VAL 115 H VAL 115 -9.239 -5.070 -10.384 721 HA VAL 115 HA VAL 115 -11.325 -3.024 -10.284 722 HB VAL 115 HB VAL 115 -9.213 -2.492 -11.444 723 1HG1 VAL 115 1HG1 VAL 115 -8.437 -3.612 -13.330 724 2HG1 VAL 115 2HG1 VAL 115 -9.999 -4.370 -13.644 725 3HG1 VAL 115 3HG1 VAL 115 -9.002 -4.929 -12.303 726 1HG2 VAL 115 1HG2 VAL 115 -11.473 -1.529 -12.082 727 2HG2 VAL 115 2HG2 VAL 115 -11.434 -2.628 -13.461 728 3HG2 VAL 115 3HG2 VAL 115 -10.187 -1.395 -13.281 729 H ALA 116 H ALA 116 -13.009 -2.986 -11.932 730 HA ALA 116 HA ALA 116 -13.881 -5.706 -12.643 731 1HB ALA 116 1HB ALA 116 -16.006 -5.166 -12.113 732 2HB ALA 116 2HB ALA 116 -15.854 -3.519 -12.726 733 3HB ALA 116 3HB ALA 116 -15.224 -3.928 -11.130 734 H GLU 117 H GLU 117 -12.126 -4.902 -14.406 735 HA GLU 117 HA GLU 117 -13.722 -4.383 -16.779 736 1HB GLU 117 2HB GLU 117 -12.978 -2.144 -16.013 737 2HB GLU 117 1HB GLU 117 -11.308 -2.686 -16.116 738 1HG GLU 117 2HG GLU 117 -11.330 -2.739 -18.426 739 2HG GLU 117 1HG GLU 117 -13.088 -2.842 -18.508 740 H SER 118 H SER 118 -13.261 -6.355 -17.634 741 HA SER 118 HA SER 118 -10.483 -7.231 -17.794 742 1HB SER 118 2HB SER 118 -12.356 -8.983 -19.135 743 2HB SER 118 1HB SER 118 -11.327 -9.309 -17.741 744 HG SER 118 HG SER 118 -12.983 -8.183 -16.490 Start of MODEL 8 1 1H GLN 18 1HT GLN 18 -15.746 0.741 -18.393 2 2H GLN 18 2HT GLN 18 -14.941 0.531 -16.892 3 3H GLN 18 3HT GLN 18 -16.351 -0.381 -17.249 4 HA GLN 18 HA GLN 18 -15.078 -1.268 -19.198 5 1HB GLN 18 2HB GLN 18 -13.263 0.624 -18.278 6 2HB GLN 18 1HB GLN 18 -12.578 -0.903 -17.740 7 1HG GLN 18 2HG GLN 18 -11.659 -0.391 -19.870 8 2HG GLN 18 1HG GLN 18 -12.775 -1.742 -20.069 9 1HE2 GLN 18 1HE2 GLN 18 -12.300 1.684 -20.584 10 2HE2 GLN 18 2HE2 GLN 18 -13.514 1.866 -21.809 11 H VAL 19 H VAL 19 -14.220 -3.398 -18.925 12 HA VAL 19 HA VAL 19 -15.041 -4.606 -16.434 13 HB VAL 19 HB VAL 19 -15.587 -5.702 -18.556 14 1HG1 VAL 19 1HG1 VAL 19 -13.107 -4.989 -19.384 15 2HG1 VAL 19 2HG1 VAL 19 -14.114 -6.203 -20.176 16 3HG1 VAL 19 3HG1 VAL 19 -12.868 -6.700 -19.031 17 1HG2 VAL 19 1HG2 VAL 19 -15.293 -7.020 -16.470 18 2HG2 VAL 19 2HG2 VAL 19 -13.637 -7.365 -16.968 19 3HG2 VAL 19 3HG2 VAL 19 -14.988 -7.946 -17.940 20 H VAL 20 H VAL 20 -13.663 -4.387 -14.772 21 HA VAL 20 HA VAL 20 -10.888 -4.113 -14.946 22 HB VAL 20 HB VAL 20 -10.893 -4.467 -12.573 23 1HG1 VAL 20 1HG1 VAL 20 -11.500 -2.331 -12.620 24 2HG1 VAL 20 2HG1 VAL 20 -13.114 -2.909 -12.205 25 3HG1 VAL 20 3HG1 VAL 20 -12.685 -2.620 -13.892 26 1HG2 VAL 20 1HG2 VAL 20 -12.430 -5.597 -11.386 27 2HG2 VAL 20 2HG2 VAL 20 -12.887 -6.261 -12.953 28 3HG2 VAL 20 3HG2 VAL 20 -13.770 -4.889 -12.285 29 H HIS 21 H HIS 21 -9.798 -5.837 -13.093 30 HA HIS 21 HA HIS 21 -10.304 -8.520 -13.276 31 1HB HIS 21 2HB HIS 21 -9.464 -7.588 -15.809 32 2HB HIS 21 1HB HIS 21 -8.130 -8.526 -15.152 33 HD1 HIS 21 1HD HIS 21 -11.905 -8.996 -15.432 34 HD2 HIS 21 2HD HIS 21 -8.357 -11.122 -15.826 35 HE1 HIS 21 1HE HIS 21 -12.585 -11.317 -16.125 36 HE2 HIS 21 2HE HIS 21 -10.427 -12.610 -16.264 37 H THR 22 H THR 22 -9.091 -6.610 -11.530 38 HA THR 22 HA THR 22 -7.417 -6.490 -9.982 39 HB THR 22 HB THR 22 -6.856 -9.313 -10.914 40 HG1 THR 22 1HG THR 22 -8.514 -9.891 -9.774 41 1HG2 THR 22 1HG2 THR 22 -5.577 -9.693 -9.098 42 2HG2 THR 22 2HG2 THR 22 -6.426 -8.504 -8.110 43 3HG2 THR 22 3HG2 THR 22 -5.229 -7.976 -9.291 44 H GLU 23 H GLU 23 -5.246 -5.929 -9.777 45 HA GLU 23 HA GLU 23 -3.195 -6.630 -11.541 46 1HB GLU 23 2HB GLU 23 -3.010 -4.274 -12.623 47 2HB GLU 23 1HB GLU 23 -4.096 -5.463 -13.329 48 1HG GLU 23 2HG GLU 23 -5.458 -3.913 -11.326 49 2HG GLU 23 1HG GLU 23 -4.705 -2.863 -12.525 50 H THR 24 H THR 24 -1.263 -5.161 -11.325 51 HA THR 24 HA THR 24 -1.083 -4.289 -8.551 52 HB THR 24 HB THR 24 1.352 -4.149 -9.005 53 HG1 THR 24 1HG THR 24 1.120 -3.668 -11.270 54 1HG2 THR 24 1HG2 THR 24 0.329 -6.313 -8.310 55 2HG2 THR 24 2HG2 THR 24 1.829 -6.463 -9.225 56 3HG2 THR 24 3HG2 THR 24 0.282 -6.769 -10.013 57 H THR 25 H THR 25 -0.959 -2.202 -7.923 58 HA THR 25 HA THR 25 -0.807 -0.177 -10.060 59 HB THR 25 HB THR 25 -2.997 -0.164 -9.057 60 HG1 THR 25 1HG THR 25 -3.057 1.954 -8.430 61 1HG2 THR 25 1HG2 THR 25 -1.524 -0.087 -6.461 62 2HG2 THR 25 2HG2 THR 25 -2.816 -1.171 -6.970 63 3HG2 THR 25 3HG2 THR 25 -3.174 0.518 -6.609 64 H GLU 26 H GLU 26 0.664 1.393 -9.934 65 HA GLU 26 HA GLU 26 2.459 1.394 -7.618 66 1HB GLU 26 2HB GLU 26 4.024 2.618 -9.029 67 2HB GLU 26 1HB GLU 26 3.495 1.157 -9.850 68 1HG GLU 26 2HG GLU 26 1.700 3.115 -10.667 69 2HG GLU 26 1HG GLU 26 3.272 3.915 -10.659 70 H VAL 27 H VAL 27 1.480 2.627 -6.099 71 HA VAL 27 HA VAL 27 0.391 5.219 -6.884 72 HB VAL 27 HB VAL 27 -0.195 5.011 -4.244 73 1HG1 VAL 27 1HG1 VAL 27 -1.786 3.903 -6.550 74 2HG1 VAL 27 2HG1 VAL 27 -1.758 5.582 -6.011 75 3HG1 VAL 27 3HG1 VAL 27 -2.441 4.333 -4.970 76 1HG2 VAL 27 1HG2 VAL 27 0.783 2.759 -4.097 77 2HG2 VAL 27 2HG2 VAL 27 -0.358 2.202 -5.320 78 3HG2 VAL 27 3HG2 VAL 27 -0.947 2.760 -3.755 79 H VAL 28 H VAL 28 1.578 6.961 -6.648 80 HA VAL 28 HA VAL 28 3.947 6.916 -4.970 81 HB VAL 28 HB VAL 28 4.078 7.853 -7.245 82 1HG1 VAL 28 1HG1 VAL 28 2.748 9.480 -8.047 83 2HG1 VAL 28 2HG1 VAL 28 2.713 10.353 -6.516 84 3HG1 VAL 28 3HG1 VAL 28 1.660 8.960 -6.762 85 1HG2 VAL 28 1HG2 VAL 28 5.706 8.610 -5.668 86 2HG2 VAL 28 2HG2 VAL 28 4.576 9.774 -4.977 87 3HG2 VAL 28 3HG2 VAL 28 5.187 10.005 -6.616 88 H LEU 29 H LEU 29 3.771 7.440 -2.896 89 HA LEU 29 HA LEU 29 1.717 9.369 -2.087 90 1HB LEU 29 2HB LEU 29 2.931 6.995 -0.825 91 2HB LEU 29 1HB LEU 29 2.649 8.352 0.249 92 HG LEU 29 HG LEU 29 0.798 6.694 0.216 93 1HD1 LEU 29 1HD1 LEU 29 0.204 8.827 0.985 94 2HD1 LEU 29 2HD1 LEU 29 -1.017 8.427 -0.223 95 3HD1 LEU 29 3HD1 LEU 29 0.299 9.532 -0.629 96 1HD2 LEU 29 1HD2 LEU 29 1.014 6.158 -2.211 97 2HD2 LEU 29 2HD2 LEU 29 0.274 7.719 -2.569 98 3HD2 LEU 29 3HD2 LEU 29 -0.636 6.492 -1.686 99 H THR 30 H THR 30 2.332 10.811 -0.238 100 HA THR 30 HA THR 30 5.161 11.605 -0.410 101 HB THR 30 HB THR 30 2.794 13.482 -0.265 102 HG1 THR 30 1HG THR 30 4.568 13.063 -2.429 103 1HG2 THR 30 1HG2 THR 30 5.545 14.336 -0.997 104 2HG2 THR 30 2HG2 THR 30 5.117 14.158 0.705 105 3HG2 THR 30 3HG2 THR 30 4.213 15.272 -0.320 106 H ALA 31 H ALA 31 6.101 12.411 1.469 107 HA ALA 31 HA ALA 31 4.827 11.552 3.916 108 1HB ALA 31 1HB ALA 31 7.483 12.944 3.681 109 2HB ALA 31 2HB ALA 31 7.274 11.222 3.361 110 3HB ALA 31 3HB ALA 31 6.919 11.870 4.962 111 H ASP 32 H ASP 32 3.184 12.918 4.451 112 HA ASP 32 HA ASP 32 3.194 15.708 4.185 113 1HB ASP 32 2HB ASP 32 1.332 13.851 4.910 114 2HB ASP 32 1HB ASP 32 1.648 14.634 6.456 115 HA PRO 33 HA PRO 33 5.842 16.965 7.494 116 1HB PRO 33 2HB PRO 33 5.063 19.537 7.748 117 2HB PRO 33 1HB PRO 33 5.992 18.964 6.359 118 1HG PRO 33 2HG PRO 33 3.048 19.451 6.595 119 2HG PRO 33 1HG PRO 33 4.148 19.874 5.271 120 1HD PRO 33 2HD PRO 33 2.522 17.698 5.211 121 2HD PRO 33 1HD PRO 33 4.090 17.759 4.379 122 H VAL 34 H VAL 34 2.526 16.585 7.818 123 HA VAL 34 HA VAL 34 2.355 17.629 10.523 124 HB VAL 34 HB VAL 34 0.262 16.060 9.018 125 1HG1 VAL 34 1HG1 VAL 34 0.372 17.470 11.608 126 2HG1 VAL 34 2HG1 VAL 34 -0.590 16.079 11.110 127 3HG1 VAL 34 3HG1 VAL 34 -1.090 17.706 10.651 128 1HG2 VAL 34 1HG2 VAL 34 -0.653 18.075 8.203 129 2HG2 VAL 34 2HG2 VAL 34 1.073 18.164 7.856 130 3HG2 VAL 34 3HG2 VAL 34 0.402 19.056 9.221 131 H THR 35 H THR 35 1.666 14.470 9.011 132 HA THR 35 HA THR 35 2.680 13.187 11.461 133 HB THR 35 HB THR 35 0.248 13.013 11.406 134 HG1 THR 35 1HG THR 35 0.771 11.166 12.250 135 1HG2 THR 35 1HG2 THR 35 -1.024 12.283 9.684 136 2HG2 THR 35 2HG2 THR 35 0.255 11.267 9.019 137 3HG2 THR 35 3HG2 THR 35 0.290 13.012 8.761 138 H GLY 36 H GLY 36 2.137 12.876 7.977 139 1HA GLY 36 2HA GLY 36 4.349 12.103 6.911 140 2HA GLY 36 1HA GLY 36 4.093 10.679 7.909 141 H PHE 37 H PHE 37 2.855 9.067 7.146 142 HA PHE 37 HA PHE 37 1.433 9.560 4.615 143 1HB PHE 37 2HB PHE 37 2.820 7.072 5.623 144 2HB PHE 37 1HB PHE 37 1.786 7.101 4.196 145 HD1 PHE 37 1HD PHE 37 5.044 7.875 5.548 146 HD2 PHE 37 2HD PHE 37 2.450 8.446 2.224 147 HE1 PHE 37 1HE PHE 37 6.962 8.581 4.178 148 HE2 PHE 37 2HE PHE 37 4.364 9.151 0.848 149 HZ PHE 37 HZ PHE 37 6.623 9.218 1.821 150 H GLY 38 H GLY 38 1.230 8.216 7.824 151 1HA GLY 38 2HA GLY 38 -0.538 7.423 9.049 152 2HA GLY 38 1HA GLY 38 -1.536 8.422 8.006 153 H ILE 39 H ILE 39 0.406 5.519 7.319 154 HA ILE 39 HA ILE 39 -2.028 4.000 6.817 155 HB ILE 39 HB ILE 39 -1.536 5.060 4.660 156 1HG1 ILE 39 2HG1 ILE 39 -0.798 2.509 3.690 157 2HG1 ILE 39 1HG1 ILE 39 -1.735 2.229 5.160 158 1HG2 ILE 39 1HG2 ILE 39 1.051 4.919 5.295 159 2HG2 ILE 39 2HG2 ILE 39 0.479 5.068 3.633 160 3HG2 ILE 39 3HG2 ILE 39 0.937 3.488 4.269 161 1HD1 ILE 39 1HD1 ILE 39 -2.943 4.223 3.430 162 2HD1 ILE 39 2HD1 ILE 39 -3.638 2.774 4.156 163 3HD1 ILE 39 3HD1 ILE 39 -2.741 2.659 2.642 164 H GLN 40 H GLN 40 -1.819 1.985 7.537 165 HA GLN 40 HA GLN 40 0.895 0.870 7.817 166 1HB GLN 40 2HB GLN 40 -1.289 1.131 9.787 167 2HB GLN 40 1HB GLN 40 -0.480 -0.430 9.762 168 1HG GLN 40 2HG GLN 40 1.075 0.448 11.064 169 2HG GLN 40 1HG GLN 40 1.581 1.433 9.693 170 1HE2 GLN 40 1HE2 GLN 40 0.329 3.484 9.407 171 2HE2 GLN 40 2HE2 GLN 40 -0.077 4.369 10.842 172 H LEU 41 H LEU 41 1.145 -1.346 7.471 173 HA LEU 41 HA LEU 41 -1.190 -2.755 6.380 174 1HB LEU 41 2HB LEU 41 0.405 -3.774 4.690 175 2HB LEU 41 1HB LEU 41 -0.063 -2.104 4.428 176 HG LEU 41 HG LEU 41 2.163 -1.572 5.703 177 1HD1 LEU 41 1HD1 LEU 41 3.604 -3.684 4.563 178 2HD1 LEU 41 2HD1 LEU 41 2.272 -4.433 5.445 179 3HD1 LEU 41 3HD1 LEU 41 3.376 -3.340 6.278 180 1HD2 LEU 41 1HD2 LEU 41 3.019 -1.029 3.684 181 2HD2 LEU 41 2HD2 LEU 41 1.403 -1.469 3.131 182 3HD2 LEU 41 3HD2 LEU 41 2.725 -2.630 3.005 183 H GLN 42 H GLN 42 -1.490 -4.703 7.230 184 HA GLN 42 HA GLN 42 0.223 -5.724 9.238 185 1HB GLN 42 2HB GLN 42 -2.157 -6.878 7.793 186 2HB GLN 42 1HB GLN 42 -1.287 -7.775 9.029 187 1HG GLN 42 2HG GLN 42 -2.089 -6.501 10.720 188 2HG GLN 42 1HG GLN 42 -2.176 -5.045 9.732 189 1HE2 GLN 42 1HE2 GLN 42 -3.750 -5.680 7.693 190 2HE2 GLN 42 2HE2 GLN 42 -5.328 -6.151 8.234 191 H GLY 43 H GLY 43 0.919 -8.116 9.155 192 1HA GLY 43 2HA GLY 43 2.638 -8.387 6.816 193 2HA GLY 43 1HA GLY 43 2.763 -9.301 8.312 194 H SER 44 H SER 44 2.676 -11.361 7.687 195 HA SER 44 HA SER 44 0.594 -12.186 5.793 196 1HB SER 44 2HB SER 44 2.648 -14.138 6.661 197 2HB SER 44 1HB SER 44 1.980 -13.843 5.058 198 HG SER 44 HG SER 44 3.252 -11.753 5.294 199 H VAL 45 H VAL 45 0.349 -14.821 6.363 200 HA VAL 45 HA VAL 45 -1.230 -14.748 8.786 201 HB VAL 45 HB VAL 45 -1.798 -15.877 6.475 202 1HG1 VAL 45 1HG1 VAL 45 -0.902 -18.385 7.763 203 2HG1 VAL 45 2HG1 VAL 45 0.320 -17.414 6.942 204 3HG1 VAL 45 3HG1 VAL 45 -1.092 -17.989 6.056 205 1HG2 VAL 45 1HG2 VAL 45 -2.821 -16.032 9.035 206 2HG2 VAL 45 2HG2 VAL 45 -2.703 -17.716 8.521 207 3HG2 VAL 45 3HG2 VAL 45 -3.617 -16.560 7.553 208 H PHE 46 H PHE 46 -1.011 -17.480 9.532 209 HA PHE 46 HA PHE 46 0.119 -18.761 11.033 210 1HB PHE 46 2HB PHE 46 2.438 -17.961 9.264 211 2HB PHE 46 1HB PHE 46 2.496 -19.242 10.469 212 HD1 PHE 46 1HD PHE 46 0.298 -20.877 10.196 213 HD2 PHE 46 2HD PHE 46 2.271 -18.705 7.114 214 HE1 PHE 46 1HE PHE 46 -0.546 -22.480 8.530 215 HE2 PHE 46 2HE PHE 46 1.430 -20.304 5.443 216 HZ PHE 46 HZ PHE 46 0.020 -22.194 6.150 217 H ALA 47 H ALA 47 -0.168 -15.862 11.560 218 HA ALA 47 HA ALA 47 1.812 -15.701 13.705 219 1HB ALA 47 1HB ALA 47 2.606 -13.593 13.172 220 2HB ALA 47 2HB ALA 47 1.244 -13.234 12.110 221 3HB ALA 47 3HB ALA 47 2.493 -14.367 11.591 222 H THR 48 H THR 48 0.973 -14.973 15.578 223 HA THR 48 HA THR 48 -0.549 -14.270 17.106 224 HB THR 48 HB THR 48 -1.705 -12.548 14.911 225 HG1 THR 48 1HG THR 48 0.610 -12.138 16.487 226 1HG2 THR 48 1HG2 THR 48 -2.714 -12.683 17.303 227 2HG2 THR 48 2HG2 THR 48 -2.462 -11.116 16.536 228 3HG2 THR 48 3HG2 THR 48 -1.316 -11.702 17.740 229 H GLU 49 H GLU 49 -3.273 -13.379 15.415 230 HA GLU 49 HA GLU 49 -4.332 -16.114 15.339 231 1HB GLU 49 2HB GLU 49 -5.011 -14.117 17.241 232 2HB GLU 49 1HB GLU 49 -6.396 -14.312 16.176 233 1HG GLU 49 2HG GLU 49 -6.779 -15.820 17.900 234 2HG GLU 49 1HG GLU 49 -6.146 -16.814 16.589 235 H THR 50 H THR 50 -5.861 -12.947 14.871 236 HA THR 50 HA THR 50 -7.226 -13.718 12.555 237 HB THR 50 HB THR 50 -6.647 -10.846 12.905 238 HG1 THR 50 1HG THR 50 -7.862 -12.432 14.899 239 1HG2 THR 50 1HG2 THR 50 -8.664 -10.570 12.032 240 2HG2 THR 50 2HG2 THR 50 -9.395 -11.721 13.151 241 3HG2 THR 50 3HG2 THR 50 -8.628 -12.295 11.671 242 H LEU 51 H LEU 51 -6.897 -11.707 10.726 243 HA LEU 51 HA LEU 51 -5.702 -11.061 8.909 244 1HB LEU 51 2HB LEU 51 -4.121 -10.099 10.488 245 2HB LEU 51 1HB LEU 51 -3.326 -11.651 10.672 246 HG LEU 51 HG LEU 51 -2.934 -11.458 8.093 247 1HD1 LEU 51 1HD1 LEU 51 -4.048 -9.603 7.373 248 2HD1 LEU 51 2HD1 LEU 51 -2.475 -8.887 7.727 249 3HD1 LEU 51 3HD1 LEU 51 -3.798 -8.725 8.883 250 1HD2 LEU 51 1HD2 LEU 51 -1.178 -11.483 9.797 251 2HD2 LEU 51 2HD2 LEU 51 -1.413 -9.757 10.067 252 3HD2 LEU 51 3HD2 LEU 51 -0.815 -10.332 8.511 253 H SER 52 H SER 52 -5.011 -11.989 7.051 254 HA SER 52 HA SER 52 -3.795 -14.628 7.097 255 1HB SER 52 2HB SER 52 -6.492 -14.583 7.006 256 2HB SER 52 1HB SER 52 -6.134 -14.439 5.286 257 HG SER 52 HG SER 52 -4.810 -16.326 5.524 258 H SER 53 H SER 53 -3.186 -15.350 4.892 259 HA SER 53 HA SER 53 -2.199 -15.039 2.868 260 1HB SER 53 2HB SER 53 -3.824 -14.104 1.612 261 2HB SER 53 1HB SER 53 -4.323 -13.019 2.906 262 HG SER 53 HG SER 53 -3.428 -11.981 1.000 263 HA PRO 54 HA PRO 54 1.574 -12.849 3.383 264 1HB PRO 54 2HB PRO 54 1.098 -11.534 0.745 265 2HB PRO 54 1HB PRO 54 2.520 -12.411 1.326 266 1HG PRO 54 2HG PRO 54 0.839 -13.553 -0.388 267 2HG PRO 54 1HG PRO 54 1.563 -14.488 0.933 268 1HD PRO 54 2HD PRO 54 -1.208 -13.423 0.661 269 2HD PRO 54 1HD PRO 54 -0.643 -14.923 1.423 270 HA PRO 55 HA PRO 55 1.361 -8.627 4.691 271 1HB PRO 55 2HB PRO 55 2.770 -7.662 2.241 272 2HB PRO 55 1HB PRO 55 3.103 -7.312 3.940 273 1HG PRO 55 2HG PRO 55 4.622 -9.029 2.595 274 2HG PRO 55 1HG PRO 55 4.181 -9.338 4.286 275 1HD PRO 55 2HD PRO 55 3.142 -10.598 1.794 276 2HD PRO 55 1HD PRO 55 3.377 -11.305 3.405 277 H LEU 56 H LEU 56 -0.249 -7.172 4.625 278 HA LEU 56 HA LEU 56 -1.317 -6.248 2.092 279 1HB LEU 56 2HB LEU 56 -3.621 -6.887 2.632 280 2HB LEU 56 1HB LEU 56 -2.582 -8.287 2.436 281 HG LEU 56 HG LEU 56 -3.085 -7.206 5.180 282 1HD1 LEU 56 1HD1 LEU 56 -5.041 -8.548 3.413 283 2HD1 LEU 56 2HD1 LEU 56 -5.298 -7.425 4.748 284 3HD1 LEU 56 3HD1 LEU 56 -4.936 -9.119 5.078 285 1HD2 LEU 56 1HD2 LEU 56 -1.407 -8.930 4.929 286 2HD2 LEU 56 2HD2 LEU 56 -2.547 -9.951 4.054 287 3HD2 LEU 56 3HD2 LEU 56 -2.816 -9.589 5.758 288 H ILE 57 H ILE 57 -2.437 -4.316 2.237 289 HA ILE 57 HA ILE 57 -1.917 -2.755 4.592 290 HB ILE 57 HB ILE 57 -3.380 -2.062 2.042 291 1HG1 ILE 57 2HG1 ILE 57 -0.798 -0.807 2.750 292 2HG1 ILE 57 1HG1 ILE 57 -0.730 -2.518 2.346 293 1HG2 ILE 57 1HG2 ILE 57 -4.176 -0.661 3.863 294 2HG2 ILE 57 2HG2 ILE 57 -3.175 0.278 2.756 295 3HG2 ILE 57 3HG2 ILE 57 -2.516 -0.259 4.301 296 1HD1 ILE 57 1HD1 ILE 57 -0.350 -0.891 0.458 297 2HD1 ILE 57 2HD1 ILE 57 -2.064 -0.492 0.581 298 3HD1 ILE 57 3HD1 ILE 57 -1.568 -2.136 0.181 299 H SER 58 H SER 58 -3.394 -1.901 6.041 300 HA SER 58 HA SER 58 -6.215 -2.293 5.730 301 1HB SER 58 2HB SER 58 -5.223 -4.566 6.486 302 2HB SER 58 1HB SER 58 -5.020 -3.783 8.052 303 HG SER 58 HG SER 58 -7.009 -4.603 8.196 304 H TYR 59 H TYR 59 -4.878 0.030 6.087 305 HA TYR 59 HA TYR 59 -6.131 1.113 8.368 306 1HB TYR 59 2HB TYR 59 -4.283 -0.005 9.552 307 2HB TYR 59 1HB TYR 59 -3.123 0.890 8.573 308 HD1 TYR 59 1HD TYR 59 -6.029 1.508 10.838 309 HD2 TYR 59 2HD TYR 59 -2.243 2.850 9.437 310 HE1 TYR 59 1HE TYR 59 -6.086 3.350 12.466 311 HE2 TYR 59 2HE TYR 59 -2.288 4.693 11.062 312 HH TYR 59 HH TYR 59 -3.856 4.863 13.611 313 H ILE 60 H ILE 60 -6.480 3.201 8.049 314 HA ILE 60 HA ILE 60 -4.607 4.834 6.553 315 HB ILE 60 HB ILE 60 -7.330 5.258 5.564 316 1HG1 ILE 60 2HG1 ILE 60 -5.873 2.732 4.747 317 2HG1 ILE 60 1HG1 ILE 60 -7.340 2.781 5.718 318 1HG2 ILE 60 1HG2 ILE 60 -5.300 6.379 4.725 319 2HG2 ILE 60 2HG2 ILE 60 -6.173 5.518 3.457 320 3HG2 ILE 60 3HG2 ILE 60 -4.706 4.824 4.143 321 1HD1 ILE 60 1HD1 ILE 60 -7.043 3.679 2.863 322 2HD1 ILE 60 2HD1 ILE 60 -8.511 3.844 3.829 323 3HD1 ILE 60 3HD1 ILE 60 -7.885 2.241 3.444 324 H GLU 61 H GLU 61 -4.986 7.114 6.836 325 HA GLU 61 HA GLU 61 -6.562 7.645 9.252 326 1HB GLU 61 2HB GLU 61 -3.980 8.444 8.394 327 2HB GLU 61 1HB GLU 61 -4.975 9.893 8.451 328 1HG GLU 61 2HG GLU 61 -3.820 9.532 10.554 329 2HG GLU 61 1HG GLU 61 -5.567 9.417 10.760 330 H ALA 62 H ALA 62 -7.812 9.564 9.424 331 HA ALA 62 HA ALA 62 -9.227 10.158 6.961 332 1HB ALA 62 1HB ALA 62 -9.805 11.105 9.764 333 2HB ALA 62 2HB ALA 62 -10.454 9.633 9.042 334 3HB ALA 62 3HB ALA 62 -10.882 11.206 8.371 335 H ASP 63 H ASP 63 -6.628 11.112 7.020 336 HA ASP 63 HA ASP 63 -6.875 13.699 6.114 337 1HB ASP 63 2HB ASP 63 -5.640 14.903 7.997 338 2HB ASP 63 1HB ASP 63 -7.335 14.525 8.285 339 H SER 64 H SER 64 -5.483 11.159 5.677 340 HA SER 64 HA SER 64 -2.723 12.179 5.544 341 1HB SER 64 2HB SER 64 -3.725 9.725 6.707 342 2HB SER 64 1HB SER 64 -2.595 9.373 5.401 343 HG SER 64 HG SER 64 -1.018 10.453 6.457 344 HA PRO 65 HA PRO 65 -3.023 12.066 1.131 345 1HB PRO 65 2HB PRO 65 -0.331 10.782 1.394 346 2HB PRO 65 1HB PRO 65 -0.850 12.090 0.325 347 1HG PRO 65 2HG PRO 65 0.545 12.612 2.535 348 2HG PRO 65 1HG PRO 65 -0.770 13.679 2.009 349 1HD PRO 65 2HD PRO 65 -0.686 11.760 4.269 350 2HD PRO 65 1HD PRO 65 -1.626 13.253 4.088 351 H ALA 66 H ALA 66 -2.056 9.221 2.961 352 HA ALA 66 HA ALA 66 -2.258 7.326 0.891 353 1HB ALA 66 1HB ALA 66 -1.341 7.139 3.344 354 2HB ALA 66 2HB ALA 66 -1.984 5.725 2.510 355 3HB ALA 66 3HB ALA 66 -2.980 6.585 3.684 356 H GLU 67 H GLU 67 -4.638 8.574 3.190 357 HA GLU 67 HA GLU 67 -6.745 6.876 2.227 358 1HB GLU 67 2HB GLU 67 -6.909 7.488 4.500 359 2HB GLU 67 1HB GLU 67 -6.612 9.183 4.153 360 1HG GLU 67 2HG GLU 67 -8.922 8.817 4.759 361 2HG GLU 67 1HG GLU 67 -8.796 9.353 3.085 362 H ARG 68 H ARG 68 -6.017 10.352 1.992 363 HA ARG 68 HA ARG 68 -8.214 10.887 0.261 364 1HB ARG 68 2HB ARG 68 -6.845 13.058 -0.162 365 2HB ARG 68 1HB ARG 68 -7.579 12.780 1.410 366 1HG ARG 68 2HG ARG 68 -4.929 11.669 1.321 367 2HG ARG 68 1HG ARG 68 -4.914 13.369 0.856 368 1HD ARG 68 2HD ARG 68 -4.612 13.087 3.271 369 2HD ARG 68 1HD ARG 68 -6.087 13.967 2.893 370 HE ARG 68 HE ARG 68 -5.919 11.210 3.904 371 1HH1 ARG 68 1HH1 ARG 68 -7.870 13.977 3.008 372 2HH1 ARG 68 2HH1 ARG 68 -9.270 13.413 3.852 373 1HH2 ARG 68 1HH2 ARG 68 -7.767 10.488 5.018 374 2HH2 ARG 68 2HH2 ARG 68 -9.215 11.436 4.987 375 H CYS 69 H CYS 69 -5.311 9.331 -0.307 376 HA CYS 69 HA CYS 69 -4.406 10.259 -2.740 377 1HB CYS 69 2HB CYS 69 -3.900 8.049 -1.135 378 2HB CYS 69 1HB CYS 69 -4.455 7.344 -2.648 379 HG CYS 69 HG CYS 69 -1.842 8.923 -2.259 380 H GLY 70 H GLY 70 -7.307 8.472 -2.026 381 1HA GLY 70 2HA GLY 70 -9.164 8.107 -3.344 382 2HA GLY 70 1HA GLY 70 -8.377 9.018 -4.624 383 H VAL 71 H VAL 71 -6.797 6.283 -3.167 384 HA VAL 71 HA VAL 71 -7.621 4.509 -5.331 385 HB VAL 71 HB VAL 71 -5.105 3.884 -5.579 386 1HG1 VAL 71 1HG1 VAL 71 -5.995 4.602 -7.543 387 2HG1 VAL 71 2HG1 VAL 71 -4.933 5.973 -7.220 388 3HG1 VAL 71 3HG1 VAL 71 -6.650 6.079 -6.836 389 1HG2 VAL 71 1HG2 VAL 71 -4.958 6.659 -4.428 390 2HG2 VAL 71 2HG2 VAL 71 -3.678 5.978 -5.431 391 3HG2 VAL 71 3HG2 VAL 71 -4.104 5.208 -3.901 392 H LEU 72 H LEU 72 -5.528 4.895 -2.483 393 HA LEU 72 HA LEU 72 -5.203 2.187 -1.881 394 1HB LEU 72 2HB LEU 72 -5.113 4.694 -0.246 395 2HB LEU 72 1HB LEU 72 -4.976 3.134 0.539 396 HG LEU 72 HG LEU 72 -3.145 4.059 -1.672 397 1HD1 LEU 72 1HD1 LEU 72 -2.807 5.530 0.179 398 2HD1 LEU 72 2HD1 LEU 72 -1.488 4.359 0.167 399 3HD1 LEU 72 3HD1 LEU 72 -2.813 4.182 1.319 400 1HD2 LEU 72 1HD2 LEU 72 -3.356 1.628 0.026 401 2HD2 LEU 72 2HD2 LEU 72 -1.749 2.209 -0.413 402 3HD2 LEU 72 3HD2 LEU 72 -2.908 1.787 -1.673 403 H GLN 73 H GLN 73 -6.179 0.913 -0.185 404 HA GLN 73 HA GLN 73 -8.689 1.682 0.954 405 1HB GLN 73 2HB GLN 73 -9.075 0.957 -1.548 406 2HB GLN 73 1HB GLN 73 -8.924 -0.666 -0.885 407 1HG GLN 73 2HG GLN 73 -10.684 0.738 0.803 408 2HG GLN 73 1HG GLN 73 -11.167 1.096 -0.854 409 1HE2 GLN 73 1HE2 GLN 73 -9.803 -1.800 0.665 410 2HE2 GLN 73 2HE2 GLN 73 -11.084 -2.866 0.189 411 H ILE 74 H ILE 74 -9.549 0.071 2.399 412 HA ILE 74 HA ILE 74 -7.507 -1.386 3.740 413 HB ILE 74 HB ILE 74 -10.491 -1.608 4.151 414 1HG1 ILE 74 2HG1 ILE 74 -9.684 0.736 4.286 415 2HG1 ILE 74 1HG1 ILE 74 -10.259 0.129 5.835 416 1HG2 ILE 74 1HG2 ILE 74 -9.305 -1.940 6.581 417 2HG2 ILE 74 2HG2 ILE 74 -8.141 -2.714 5.505 418 3HG2 ILE 74 3HG2 ILE 74 -9.821 -3.251 5.521 419 1HD1 ILE 74 1HD1 ILE 74 -7.489 0.774 4.962 420 2HD1 ILE 74 2HD1 ILE 74 -7.743 -0.439 6.217 421 3HD1 ILE 74 3HD1 ILE 74 -8.335 1.207 6.447 422 H GLY 75 H GLY 75 -6.646 -3.017 2.522 423 1HA GLY 75 2HA GLY 75 -7.148 -5.520 2.520 424 2HA GLY 75 1HA GLY 75 -8.512 -5.066 1.511 425 H ASP 76 H ASP 76 -5.207 -3.787 1.428 426 HA ASP 76 HA ASP 76 -5.056 -4.605 -1.386 427 1HB ASP 76 2HB ASP 76 -3.972 -2.342 0.182 428 2HB ASP 76 1HB ASP 76 -2.894 -3.003 -1.044 429 H ARG 77 H ARG 77 -3.118 -5.566 -2.204 430 HA ARG 77 HA ARG 77 -1.635 -7.059 -0.145 431 1HB ARG 77 2HB ARG 77 -3.141 -8.125 -2.113 432 2HB ARG 77 1HB ARG 77 -1.595 -8.021 -2.944 433 1HG ARG 77 2HG ARG 77 -0.567 -9.507 -1.497 434 2HG ARG 77 1HG ARG 77 -1.766 -9.253 -0.227 435 1HD ARG 77 2HD ARG 77 -1.929 -11.455 -1.407 436 2HD ARG 77 1HD ARG 77 -3.408 -10.495 -1.417 437 HE ARG 77 HE ARG 77 -2.139 -9.833 -3.744 438 1HH1 ARG 77 1HH1 ARG 77 -3.236 -12.811 -2.293 439 2HH1 ARG 77 2HH1 ARG 77 -3.534 -13.589 -3.810 440 1HH2 ARG 77 1HH2 ARG 77 -2.530 -10.854 -5.743 441 2HH2 ARG 77 2HH2 ARG 77 -3.132 -12.478 -5.770 442 H VAL 78 H VAL 78 -0.111 -5.342 0.090 443 HA VAL 78 HA VAL 78 1.400 -4.247 -2.011 444 HB VAL 78 HB VAL 78 2.511 -4.650 0.753 445 1HG1 VAL 78 1HG1 VAL 78 3.379 -2.316 0.239 446 2HG1 VAL 78 2HG1 VAL 78 2.858 -2.606 -1.420 447 3HG1 VAL 78 3HG1 VAL 78 4.074 -3.649 -0.683 448 1HG2 VAL 78 1HG2 VAL 78 0.770 -3.586 1.642 449 2HG2 VAL 78 2HG2 VAL 78 0.063 -3.290 0.055 450 3HG2 VAL 78 3HG2 VAL 78 1.245 -2.161 0.717 451 H MET 79 H MET 79 3.390 -4.787 -2.906 452 HA MET 79 HA MET 79 4.981 -6.940 -1.948 453 1HB MET 79 2HB MET 79 2.980 -8.121 -2.975 454 2HB MET 79 1HB MET 79 3.538 -7.520 -4.529 455 1HG MET 79 2HG MET 79 5.799 -8.665 -3.501 456 2HG MET 79 1HG MET 79 4.525 -9.728 -2.900 457 1HE MET 79 1HE MET 79 6.496 -8.645 -6.305 458 2HE MET 79 2HE MET 79 6.602 -10.384 -6.566 459 3HE MET 79 3HE MET 79 7.052 -9.697 -5.005 460 H ALA 80 H ALA 80 5.367 -4.217 -2.793 461 HA ALA 80 HA ALA 80 7.758 -4.407 -4.161 462 1HB ALA 80 1HB ALA 80 5.449 -4.460 -5.942 463 2HB ALA 80 2HB ALA 80 7.135 -4.869 -6.257 464 3HB ALA 80 3HB ALA 80 6.606 -3.189 -6.335 465 H ILE 81 H ILE 81 7.183 -2.954 -2.056 466 HA ILE 81 HA ILE 81 6.354 -0.276 -2.666 467 HB ILE 81 HB ILE 81 7.799 -1.288 -0.220 468 1HG1 ILE 81 2HG1 ILE 81 4.843 -0.793 -0.406 469 2HG1 ILE 81 1HG1 ILE 81 5.526 -2.344 -0.895 470 1HG2 ILE 81 1HG2 ILE 81 5.969 0.969 0.057 471 2HG2 ILE 81 2HG2 ILE 81 7.362 1.307 -0.970 472 3HG2 ILE 81 3HG2 ILE 81 7.602 0.748 0.685 473 1HD1 ILE 81 1HD1 ILE 81 6.675 -2.014 1.534 474 2HD1 ILE 81 2HD1 ILE 81 5.176 -2.894 1.243 475 3HD1 ILE 81 3HD1 ILE 81 5.122 -1.215 1.776 476 H ASN 82 H ASN 82 7.556 1.179 -3.670 477 HA ASN 82 HA ASN 82 9.362 2.185 -4.647 478 1HB ASN 82 2HB ASN 82 10.950 3.091 -3.075 479 2HB ASN 82 1HB ASN 82 9.360 3.084 -2.319 480 1HD2 ASN 82 1HD2 ASN 82 9.134 2.128 -0.412 481 2HD2 ASN 82 2HD2 ASN 82 10.327 1.138 0.361 482 H GLY 83 H GLY 83 9.333 -0.718 -4.868 483 1HA GLY 83 2HA GLY 83 10.928 -1.911 -6.216 484 2HA GLY 83 1HA GLY 83 12.215 -1.098 -5.339 485 H ILE 84 H ILE 84 11.088 -1.524 -2.722 486 HA ILE 84 HA ILE 84 12.093 -4.175 -2.255 487 HB ILE 84 HB ILE 84 10.761 -2.371 -0.244 488 1HG1 ILE 84 2HG1 ILE 84 12.624 -1.260 -1.592 489 2HG1 ILE 84 1HG1 ILE 84 12.816 -1.269 0.156 490 1HG2 ILE 84 1HG2 ILE 84 11.184 -4.721 0.404 491 2HG2 ILE 84 2HG2 ILE 84 12.080 -3.558 1.380 492 3HG2 ILE 84 3HG2 ILE 84 12.903 -4.461 0.110 493 1HD1 ILE 84 1HD1 ILE 84 14.316 -3.229 -0.077 494 2HD1 ILE 84 2HD1 ILE 84 14.916 -1.771 -0.868 495 3HD1 ILE 84 3HD1 ILE 84 14.192 -3.061 -1.828 496 HA PRO 85 HA PRO 85 7.880 -5.808 -2.473 497 1HB PRO 85 2HB PRO 85 8.510 -8.322 -3.079 498 2HB PRO 85 1HB PRO 85 8.703 -7.029 -4.269 499 1HG PRO 85 2HG PRO 85 10.767 -8.385 -2.590 500 2HG PRO 85 1HG PRO 85 10.867 -7.854 -4.277 501 1HD PRO 85 2HD PRO 85 11.865 -6.460 -2.079 502 2HD PRO 85 1HD PRO 85 11.546 -5.768 -3.680 503 H THR 86 H THR 86 7.269 -5.659 -0.314 504 HA THR 86 HA THR 86 8.438 -7.215 1.759 505 HB THR 86 HB THR 86 6.566 -6.433 3.131 506 HG1 THR 86 1HG THR 86 4.884 -6.550 1.663 507 1HG2 THR 86 1HG2 THR 86 7.009 -3.984 1.584 508 2HG2 THR 86 2HG2 THR 86 8.470 -4.822 2.106 509 3HG2 THR 86 3HG2 THR 86 7.271 -4.318 3.296 510 H GLU 87 H GLU 87 8.203 -9.314 2.098 511 HA GLU 87 HA GLU 87 5.689 -10.620 2.085 512 1HB GLU 87 2HB GLU 87 6.557 -10.382 -0.435 513 2HB GLU 87 1HB GLU 87 7.441 -11.834 0.013 514 1HG GLU 87 2HG GLU 87 5.637 -13.068 -0.290 515 2HG GLU 87 1HG GLU 87 4.741 -12.100 0.879 516 H ASP 88 H ASP 88 6.767 -10.883 4.199 517 HA ASP 88 HA ASP 88 8.292 -13.382 4.224 518 1HB ASP 88 2HB ASP 88 9.312 -10.776 4.999 519 2HB ASP 88 1HB ASP 88 9.366 -11.910 6.345 520 H SER 89 H SER 89 7.436 -11.059 6.772 521 HA SER 89 HA SER 89 5.147 -12.367 7.709 522 1HB SER 89 2HB SER 89 6.040 -13.501 9.712 523 2HB SER 89 1HB SER 89 6.658 -14.225 8.226 524 HG SER 89 HG SER 89 8.552 -12.888 8.544 525 H THR 90 H THR 90 8.047 -10.569 8.607 526 HA THR 90 HA THR 90 6.663 -9.156 10.723 527 HB THR 90 HB THR 90 8.957 -9.650 11.151 528 HG1 THR 90 1HG THR 90 8.160 -7.460 11.643 529 1HG2 THR 90 1HG2 THR 90 9.374 -8.786 8.386 530 2HG2 THR 90 2HG2 THR 90 10.260 -9.956 9.363 531 3HG2 THR 90 3HG2 THR 90 10.591 -8.233 9.537 532 H PHE 91 H PHE 91 5.132 -7.809 9.959 533 HA PHE 91 HA PHE 91 5.336 -6.326 7.560 534 1HB PHE 91 2HB PHE 91 3.297 -5.245 8.234 535 2HB PHE 91 1HB PHE 91 3.194 -6.943 8.685 536 HD1 PHE 91 1HD PHE 91 3.359 -3.517 9.887 537 HD2 PHE 91 2HD PHE 91 3.306 -7.616 11.030 538 HE1 PHE 91 1HE PHE 91 2.824 -2.862 12.199 539 HE2 PHE 91 2HE PHE 91 2.772 -6.970 13.342 540 HZ PHE 91 HZ PHE 91 2.530 -4.589 13.929 541 H GLU 92 H GLU 92 6.520 -5.766 10.745 542 HA GLU 92 HA GLU 92 6.608 -3.008 10.908 543 1HB GLU 92 2HB GLU 92 8.502 -5.126 11.905 544 2HB GLU 92 1HB GLU 92 8.763 -3.420 12.241 545 1HG GLU 92 2HG GLU 92 6.112 -3.865 12.930 546 2HG GLU 92 1HG GLU 92 6.970 -5.298 13.497 547 H GLU 93 H GLU 93 8.563 -5.171 8.973 548 HA GLU 93 HA GLU 93 10.652 -3.388 8.353 549 1HB GLU 93 2HB GLU 93 11.211 -4.877 6.566 550 2HB GLU 93 1HB GLU 93 10.653 -5.861 7.910 551 1HG GLU 93 2HG GLU 93 8.386 -5.866 6.767 552 2HG GLU 93 1HG GLU 93 9.218 -5.210 5.358 553 H ALA 94 H ALA 94 7.586 -4.095 6.707 554 HA ALA 94 HA ALA 94 7.913 -2.358 4.538 555 1HB ALA 94 1HB ALA 94 6.021 -4.142 5.245 556 2HB ALA 94 2HB ALA 94 5.800 -2.932 3.981 557 3HB ALA 94 3HB ALA 94 5.179 -2.635 5.605 558 H ASN 95 H ASN 95 6.611 -1.831 7.777 559 HA ASN 95 HA ASN 95 5.682 0.791 7.398 560 1HB ASN 95 2HB ASN 95 6.750 -0.503 9.917 561 2HB ASN 95 1HB ASN 95 5.812 0.986 9.857 562 1HD2 ASN 95 1HD2 ASN 95 3.887 0.566 10.660 563 2HD2 ASN 95 2HD2 ASN 95 2.885 -0.786 10.243 564 H GLN 96 H GLN 96 8.850 -0.447 8.393 565 HA GLN 96 HA GLN 96 10.017 2.034 8.954 566 1HB GLN 96 2HB GLN 96 11.930 0.870 9.345 567 2HB GLN 96 1HB GLN 96 10.819 -0.488 9.329 568 1HG GLN 96 2HG GLN 96 12.416 -1.310 7.951 569 2HG GLN 96 1HG GLN 96 11.427 -0.481 6.750 570 1HE2 GLN 96 1HE2 GLN 96 13.882 0.558 9.095 571 2HE2 GLN 96 2HE2 GLN 96 14.875 1.391 7.944 572 H LEU 97 H LEU 97 9.607 0.249 5.967 573 HA LEU 97 HA LEU 97 11.357 1.825 4.384 574 1HB LEU 97 2HB LEU 97 8.939 0.263 3.476 575 2HB LEU 97 1HB LEU 97 10.274 0.796 2.473 576 HG LEU 97 HG LEU 97 10.817 -1.025 4.781 577 1HD1 LEU 97 1HD1 LEU 97 8.920 -1.721 2.939 578 2HD1 LEU 97 2HD1 LEU 97 9.917 -2.849 3.858 579 3HD1 LEU 97 3HD1 LEU 97 10.395 -2.376 2.227 580 1HD2 LEU 97 1HD2 LEU 97 12.060 -0.764 2.049 581 2HD2 LEU 97 2HD2 LEU 97 12.653 -1.742 3.391 582 3HD2 LEU 97 3HD2 LEU 97 12.659 0.016 3.511 583 H LEU 98 H LEU 98 7.939 2.045 5.195 584 HA LEU 98 HA LEU 98 7.399 4.206 3.394 585 1HB LEU 98 2HB LEU 98 5.834 3.287 5.807 586 2HB LEU 98 1HB LEU 98 5.250 4.358 4.547 587 HG LEU 98 HG LEU 98 6.003 1.459 4.175 588 1HD1 LEU 98 1HD1 LEU 98 3.989 1.246 5.198 589 2HD1 LEU 98 2HD1 LEU 98 3.420 1.550 3.556 590 3HD1 LEU 98 3HD1 LEU 98 3.456 2.863 4.734 591 1HD2 LEU 98 1HD2 LEU 98 4.713 3.354 2.221 592 2HD2 LEU 98 2HD2 LEU 98 5.197 1.682 1.932 593 3HD2 LEU 98 3HD2 LEU 98 6.422 2.921 2.205 594 H ARG 99 H ARG 99 8.104 3.927 6.846 595 HA ARG 99 HA ARG 99 7.746 6.673 7.447 596 1HB ARG 99 2HB ARG 99 8.926 4.316 8.823 597 2HB ARG 99 1HB ARG 99 9.404 5.905 9.403 598 1HG ARG 99 2HG ARG 99 7.342 6.383 10.225 599 2HG ARG 99 1HG ARG 99 6.510 5.414 9.007 600 1HD ARG 99 2HD ARG 99 6.241 3.876 10.598 601 2HD ARG 99 1HD ARG 99 7.967 3.552 10.438 602 HE ARG 99 HE ARG 99 7.894 5.608 12.188 603 1HH1 ARG 99 1HH1 ARG 99 6.257 2.528 12.071 604 2HH1 ARG 99 2HH1 ARG 99 6.146 2.381 13.794 605 1HH2 ARG 99 1HH2 ARG 99 7.748 5.417 14.451 606 2HH2 ARG 99 2HH2 ARG 99 6.991 4.022 15.145 607 H ASP 100 H ASP 100 10.444 4.788 6.269 608 HA ASP 100 HA ASP 100 12.395 6.849 6.709 609 1HB ASP 100 2HB ASP 100 12.372 4.143 5.487 610 2HB ASP 100 1HB ASP 100 13.626 5.251 4.939 611 H SER 101 H SER 101 9.908 6.575 4.530 612 HA SER 101 HA SER 101 11.157 7.461 2.140 613 1HB SER 101 2HB SER 101 8.278 7.618 3.053 614 2HB SER 101 1HB SER 101 8.828 8.012 1.426 615 HG SER 101 HG SER 101 9.438 5.897 1.132 616 H SER 102 H SER 102 10.450 9.047 5.054 617 HA SER 102 HA SER 102 9.763 11.618 4.212 618 1HB SER 102 2HB SER 102 9.810 10.687 6.595 619 2HB SER 102 1HB SER 102 11.535 11.055 6.589 620 HG SER 102 HG SER 102 10.430 12.805 7.438 621 H ILE 103 H ILE 103 12.822 9.954 4.195 622 HA ILE 103 HA ILE 103 14.617 12.055 4.085 623 HB ILE 103 HB ILE 103 14.740 9.431 2.619 624 1HG1 ILE 103 2HG1 ILE 103 14.456 9.417 5.132 625 2HG1 ILE 103 1HG1 ILE 103 15.896 8.619 4.524 626 1HG2 ILE 103 1HG2 ILE 103 16.617 11.693 2.804 627 2HG2 ILE 103 2HG2 ILE 103 16.480 10.428 1.583 628 3HG2 ILE 103 3HG2 ILE 103 17.312 10.100 3.104 629 1HD1 ILE 103 1HD1 ILE 103 15.770 11.364 5.734 630 2HD1 ILE 103 2HD1 ILE 103 17.223 10.598 5.088 631 3HD1 ILE 103 3HD1 ILE 103 16.412 9.909 6.496 632 H THR 104 H THR 104 12.446 10.835 1.640 633 HA THR 104 HA THR 104 13.454 12.867 -0.240 634 HB THR 104 HB THR 104 13.856 10.772 -1.251 635 HG1 THR 104 1HG THR 104 12.815 12.161 -2.679 636 1HG2 THR 104 1HG2 THR 104 11.751 9.235 -1.597 637 2HG2 THR 104 2HG2 THR 104 11.253 9.977 -0.075 638 3HG2 THR 104 3HG2 THR 104 12.775 9.092 -0.168 639 H SER 105 H SER 105 10.952 12.147 1.805 640 HA SER 105 HA SER 105 8.872 12.999 2.115 641 1HB SER 105 2HB SER 105 10.141 14.953 0.276 642 2HB SER 105 1HB SER 105 8.386 15.031 0.422 643 HG SER 105 HG SER 105 9.487 16.343 1.968 644 H LYS 106 H LYS 106 9.485 10.943 -0.038 645 HA LYS 106 HA LYS 106 6.802 10.836 -1.088 646 1HB LYS 106 2HB LYS 106 9.023 11.757 -2.723 647 2HB LYS 106 1HB LYS 106 8.261 10.327 -3.405 648 1HG LYS 106 2HG LYS 106 6.091 11.827 -2.763 649 2HG LYS 106 1HG LYS 106 7.268 13.072 -3.187 650 1HD LYS 106 2HD LYS 106 7.613 12.111 -5.347 651 2HD LYS 106 1HD LYS 106 6.670 10.680 -4.921 652 1HE LYS 106 2HE LYS 106 4.661 11.794 -5.080 653 2HE LYS 106 1HE LYS 106 5.388 13.369 -4.765 654 1HZ LYS 106 1HZ LYS 106 6.345 13.355 -6.963 655 2HZ LYS 106 2HZ LYS 106 4.675 13.118 -7.075 656 3HZ LYS 106 3HZ LYS 106 5.727 11.809 -7.270 657 H VAL 107 H VAL 107 6.223 8.779 -1.890 658 HA VAL 107 HA VAL 107 8.212 6.659 -1.800 659 HB VAL 107 HB VAL 107 7.421 6.866 0.532 660 1HG1 VAL 107 1HG1 VAL 107 5.072 7.580 -0.232 661 2HG1 VAL 107 2HG1 VAL 107 5.216 6.554 1.194 662 3HG1 VAL 107 3HG1 VAL 107 4.748 5.850 -0.354 663 1HG2 VAL 107 1HG2 VAL 107 6.826 4.381 -1.035 664 2HG2 VAL 107 2HG2 VAL 107 6.638 4.429 0.717 665 3HG2 VAL 107 3HG2 VAL 107 8.215 4.739 -0.009 666 H THR 108 H THR 108 7.896 5.654 -3.674 667 HA THR 108 HA THR 108 5.208 5.436 -4.788 668 HB THR 108 HB THR 108 6.869 4.122 -6.542 669 HG1 THR 108 1HG THR 108 8.743 5.375 -6.672 670 1HG2 THR 108 1HG2 THR 108 6.730 7.089 -6.722 671 2HG2 THR 108 2HG2 THR 108 5.247 6.140 -6.837 672 3HG2 THR 108 3HG2 THR 108 6.559 5.868 -7.985 673 H LEU 109 H LEU 109 4.038 3.815 -3.963 674 HA LEU 109 HA LEU 109 5.384 1.277 -3.363 675 1HB LEU 109 2HB LEU 109 2.610 1.370 -2.546 676 2HB LEU 109 1HB LEU 109 4.043 1.042 -1.598 677 HG LEU 109 HG LEU 109 3.800 3.879 -2.158 678 1HD1 LEU 109 1HD1 LEU 109 1.818 3.900 -0.379 679 2HD1 LEU 109 2HD1 LEU 109 1.393 2.427 -1.250 680 3HD1 LEU 109 3HD1 LEU 109 1.540 3.952 -2.121 681 1HD2 LEU 109 1HD2 LEU 109 3.996 4.000 0.289 682 2HD2 LEU 109 2HD2 LEU 109 5.228 2.965 -0.431 683 3HD2 LEU 109 3HD2 LEU 109 3.834 2.245 0.373 684 H GLU 110 H GLU 110 4.520 -0.706 -4.028 685 HA GLU 110 HA GLU 110 2.619 -0.543 -6.277 686 1HB GLU 110 2HB GLU 110 5.286 -1.262 -6.475 687 2HB GLU 110 1HB GLU 110 4.460 -2.811 -6.393 688 1HG GLU 110 2HG GLU 110 3.075 -2.204 -8.286 689 2HG GLU 110 1HG GLU 110 3.826 -0.610 -8.346 690 H ILE 111 H ILE 111 0.776 -1.329 -5.440 691 HA ILE 111 HA ILE 111 0.912 -3.759 -3.807 692 HB ILE 111 HB ILE 111 -1.309 -3.122 -2.997 693 1HG1 ILE 111 2HG1 ILE 111 -1.550 -1.613 -5.213 694 2HG1 ILE 111 1HG1 ILE 111 -2.533 -1.378 -3.770 695 1HG2 ILE 111 1HG2 ILE 111 0.606 -2.486 -1.694 696 2HG2 ILE 111 2HG2 ILE 111 -0.592 -1.195 -1.627 697 3HG2 ILE 111 3HG2 ILE 111 0.825 -1.030 -2.664 698 1HD1 ILE 111 1HD1 ILE 111 -1.665 0.723 -4.660 699 2HD1 ILE 111 2HD1 ILE 111 -0.018 0.140 -4.430 700 3HD1 ILE 111 3HD1 ILE 111 -1.064 0.401 -3.035 701 H GLU 112 H GLU 112 -0.832 -5.300 -4.039 702 HA GLU 112 HA GLU 112 -1.812 -5.469 -6.809 703 1HB GLU 112 2HB GLU 112 -0.214 -7.264 -5.855 704 2HB GLU 112 1HB GLU 112 -1.601 -7.802 -4.918 705 1HG GLU 112 2HG GLU 112 -2.763 -8.501 -6.789 706 2HG GLU 112 1HG GLU 112 -1.821 -7.483 -7.878 707 H PHE 113 H PHE 113 -3.912 -5.077 -7.025 708 HA PHE 113 HA PHE 113 -5.699 -5.705 -4.762 709 1HB PHE 113 2HB PHE 113 -6.951 -3.746 -5.188 710 2HB PHE 113 1HB PHE 113 -5.270 -3.233 -5.315 711 HD1 PHE 113 1HD PHE 113 -8.429 -3.452 -6.968 712 HD2 PHE 113 2HD PHE 113 -4.244 -3.064 -7.627 713 HE1 PHE 113 1HE PHE 113 -8.864 -2.636 -9.245 714 HE2 PHE 113 2HE PHE 113 -4.673 -2.243 -9.904 715 HZ PHE 113 HZ PHE 113 -6.992 -2.041 -10.720 716 H ASP 114 H ASP 114 -7.853 -6.351 -5.283 717 HA ASP 114 HA ASP 114 -8.166 -7.354 -8.034 718 1HB ASP 114 2HB ASP 114 -9.793 -9.017 -6.656 719 2HB ASP 114 1HB ASP 114 -8.125 -9.395 -7.066 720 H VAL 115 H VAL 115 -9.423 -5.788 -8.838 721 HA VAL 115 HA VAL 115 -11.657 -4.711 -7.372 722 HB VAL 115 HB VAL 115 -10.625 -3.132 -8.750 723 1HG1 VAL 115 1HG1 VAL 115 -9.248 -4.378 -10.141 724 2HG1 VAL 115 2HG1 VAL 115 -10.338 -3.523 -11.228 725 3HG1 VAL 115 3HG1 VAL 115 -10.609 -5.231 -10.870 726 1HG2 VAL 115 1HG2 VAL 115 -12.291 -2.496 -10.439 727 2HG2 VAL 115 2HG2 VAL 115 -13.036 -2.963 -8.910 728 3HG2 VAL 115 3HG2 VAL 115 -13.045 -4.081 -10.273 729 H ALA 116 H ALA 116 -13.832 -5.003 -7.809 730 HA ALA 116 HA ALA 116 -14.586 -7.586 -8.720 731 1HB ALA 116 1HB ALA 116 -16.687 -5.531 -8.486 732 2HB ALA 116 2HB ALA 116 -15.712 -5.812 -7.043 733 3HB ALA 116 3HB ALA 116 -16.593 -7.147 -7.787 734 H GLU 117 H GLU 117 -15.097 -8.265 -10.690 735 HA GLU 117 HA GLU 117 -14.903 -6.560 -12.950 736 1HB GLU 117 2HB GLU 117 -15.835 -9.411 -12.617 737 2HB GLU 117 1HB GLU 117 -15.765 -8.611 -14.182 738 1HG GLU 117 2HG GLU 117 -13.638 -9.170 -14.363 739 2HG GLU 117 1HG GLU 117 -13.268 -8.207 -12.934 740 H SER 118 H SER 118 -16.427 -5.549 -14.136 741 HA SER 118 HA SER 118 -19.188 -5.687 -13.146 742 1HB SER 118 2HB SER 118 -17.606 -3.492 -13.539 743 2HB SER 118 1HB SER 118 -18.505 -3.550 -15.055 744 HG SER 118 HG SER 118 -19.489 -3.301 -12.421 Start of MODEL 9 1 1H GLN 18 1HT GLN 18 -19.035 -10.683 -18.597 2 2H GLN 18 2HT GLN 18 -19.001 -10.931 -16.897 3 3H GLN 18 3HT GLN 18 -18.523 -12.191 -17.961 4 HA GLN 18 HA GLN 18 -16.746 -10.696 -18.763 5 1HB GLN 18 2HB GLN 18 -18.030 -9.076 -16.635 6 2HB GLN 18 1HB GLN 18 -16.272 -9.048 -16.679 7 1HG GLN 18 2HG GLN 18 -16.866 -8.656 -19.294 8 2HG GLN 18 1HG GLN 18 -18.228 -7.862 -18.507 9 1HE2 GLN 18 1HE2 GLN 18 -14.747 -7.932 -18.828 10 2HE2 GLN 18 2HE2 GLN 18 -14.467 -6.321 -18.253 11 H VAL 19 H VAL 19 -14.726 -10.326 -17.131 12 HA VAL 19 HA VAL 19 -14.615 -12.765 -15.477 13 HB VAL 19 HB VAL 19 -12.277 -11.431 -16.843 14 1HG1 VAL 19 1HG1 VAL 19 -11.403 -12.660 -15.086 15 2HG1 VAL 19 2HG1 VAL 19 -11.343 -13.810 -16.421 16 3HG1 VAL 19 3HG1 VAL 19 -12.631 -13.920 -15.222 17 1HG2 VAL 19 1HG2 VAL 19 -12.399 -13.002 -18.586 18 2HG2 VAL 19 2HG2 VAL 19 -14.050 -12.413 -18.388 19 3HG2 VAL 19 3HG2 VAL 19 -13.589 -13.983 -17.732 20 H VAL 20 H VAL 20 -13.474 -12.692 -13.517 21 HA VAL 20 HA VAL 20 -13.762 -10.372 -11.993 22 HB VAL 20 HB VAL 20 -13.603 -12.617 -11.002 23 1HG1 VAL 20 1HG1 VAL 20 -10.651 -12.643 -11.122 24 2HG1 VAL 20 2HG1 VAL 20 -11.504 -13.057 -12.610 25 3HG1 VAL 20 3HG1 VAL 20 -11.803 -13.979 -11.136 26 1HG2 VAL 20 1HG2 VAL 20 -12.864 -10.342 -9.867 27 2HG2 VAL 20 2HG2 VAL 20 -11.309 -11.172 -9.788 28 3HG2 VAL 20 3HG2 VAL 20 -12.730 -11.886 -9.026 29 H HIS 21 H HIS 21 -12.383 -8.748 -11.374 30 HA HIS 21 HA HIS 21 -10.093 -8.316 -13.100 31 1HB HIS 21 2HB HIS 21 -11.981 -6.644 -11.841 32 2HB HIS 21 1HB HIS 21 -10.426 -6.260 -11.111 33 HD1 HIS 21 1HD HIS 21 -12.444 -5.059 -13.667 34 HD2 HIS 21 2HD HIS 21 -8.419 -6.072 -13.498 35 HE1 HIS 21 1HE HIS 21 -11.361 -3.833 -15.576 36 HE2 HIS 21 2HE HIS 21 -8.912 -4.391 -15.401 37 H THR 22 H THR 22 -8.027 -7.629 -12.265 38 HA THR 22 HA THR 22 -7.210 -7.844 -9.601 39 HB THR 22 HB THR 22 -5.822 -10.113 -10.516 40 HG1 THR 22 1HG THR 22 -7.282 -11.442 -11.333 41 1HG2 THR 22 1HG2 THR 22 -8.170 -10.074 -8.642 42 2HG2 THR 22 2HG2 THR 22 -6.513 -9.665 -8.195 43 3HG2 THR 22 3HG2 THR 22 -6.902 -11.297 -8.738 44 H GLU 23 H GLU 23 -5.713 -6.291 -9.804 45 HA GLU 23 HA GLU 23 -3.459 -6.781 -11.584 46 1HB GLU 23 2HB GLU 23 -4.459 -3.997 -11.681 47 2HB GLU 23 1HB GLU 23 -3.689 -4.960 -12.932 48 1HG GLU 23 2HG GLU 23 -5.867 -6.233 -13.107 49 2HG GLU 23 1HG GLU 23 -6.570 -4.975 -12.092 50 H THR 24 H THR 24 -1.796 -4.931 -11.295 51 HA THR 24 HA THR 24 -1.589 -4.382 -8.412 52 HB THR 24 HB THR 24 0.821 -4.338 -8.711 53 HG1 THR 24 1HG THR 24 1.695 -4.818 -10.779 54 1HG2 THR 24 1HG2 THR 24 0.441 -6.524 -8.295 55 2HG2 THR 24 2HG2 THR 24 1.070 -6.677 -9.936 56 3HG2 THR 24 3HG2 THR 24 -0.670 -6.706 -9.653 57 H THR 25 H THR 25 -1.390 -2.326 -7.706 58 HA THR 25 HA THR 25 -1.316 -0.221 -9.763 59 HB THR 25 HB THR 25 -3.377 0.036 -8.706 60 HG1 THR 25 1HG THR 25 -2.007 1.949 -8.568 61 1HG2 THR 25 1HG2 THR 25 -2.083 -1.157 -6.409 62 2HG2 THR 25 2HG2 THR 25 -3.785 -1.127 -6.867 63 3HG2 THR 25 3HG2 THR 25 -3.085 0.229 -5.985 64 H GLU 26 H GLU 26 -0.028 1.550 -9.516 65 HA GLU 26 HA GLU 26 2.079 1.322 -7.482 66 1HB GLU 26 2HB GLU 26 3.496 2.625 -8.933 67 2HB GLU 26 1HB GLU 26 2.801 1.318 -9.879 68 1HG GLU 26 2HG GLU 26 1.008 3.363 -10.250 69 2HG GLU 26 1HG GLU 26 2.562 4.196 -10.198 70 H VAL 27 H VAL 27 1.304 2.394 -5.758 71 HA VAL 27 HA VAL 27 0.020 4.980 -6.169 72 HB VAL 27 HB VAL 27 -0.117 4.493 -3.468 73 1HG1 VAL 27 1HG1 VAL 27 -2.268 3.356 -5.153 74 2HG1 VAL 27 2HG1 VAL 27 -1.841 5.045 -5.423 75 3HG1 VAL 27 3HG1 VAL 27 -2.360 4.511 -3.824 76 1HG2 VAL 27 1HG2 VAL 27 -0.789 2.208 -3.135 77 2HG2 VAL 27 2HG2 VAL 27 0.829 2.225 -3.834 78 3HG2 VAL 27 3HG2 VAL 27 -0.564 1.852 -4.846 79 H VAL 28 H VAL 28 1.484 6.533 -6.353 80 HA VAL 28 HA VAL 28 3.862 6.583 -4.695 81 HB VAL 28 HB VAL 28 3.851 7.260 -7.127 82 1HG1 VAL 28 1HG1 VAL 28 2.772 9.085 -7.918 83 2HG1 VAL 28 2HG1 VAL 28 2.902 9.962 -6.394 84 3HG1 VAL 28 3HG1 VAL 28 1.676 8.709 -6.590 85 1HG2 VAL 28 1HG2 VAL 28 5.681 8.518 -6.778 86 2HG2 VAL 28 2HG2 VAL 28 5.397 8.117 -5.084 87 3HG2 VAL 28 3HG2 VAL 28 4.828 9.654 -5.734 88 H LEU 29 H LEU 29 3.776 7.388 -2.686 89 HA LEU 29 HA LEU 29 1.856 9.550 -2.145 90 1HB LEU 29 2HB LEU 29 2.720 7.193 -0.546 91 2HB LEU 29 1HB LEU 29 2.291 8.662 0.308 92 HG LEU 29 HG LEU 29 0.403 7.523 -1.716 93 1HD1 LEU 29 1HD1 LEU 29 1.302 5.898 0.230 94 2HD1 LEU 29 2HD1 LEU 29 -0.345 5.854 -0.400 95 3HD1 LEU 29 3HD1 LEU 29 0.005 6.726 1.092 96 1HD2 LEU 29 1HD2 LEU 29 -1.251 8.634 -0.382 97 2HD2 LEU 29 2HD2 LEU 29 0.052 9.772 -0.717 98 3HD2 LEU 29 3HD2 LEU 29 -0.064 9.004 0.867 99 H THR 30 H THR 30 2.472 11.215 -0.712 100 HA THR 30 HA THR 30 5.386 11.592 -0.531 101 HB THR 30 HB THR 30 3.178 13.645 -0.792 102 HG1 THR 30 1HG THR 30 3.850 12.472 -2.706 103 1HG2 THR 30 1HG2 THR 30 5.568 14.095 0.460 104 2HG2 THR 30 2HG2 THR 30 4.567 15.315 -0.326 105 3HG2 THR 30 3HG2 THR 30 5.902 14.571 -1.205 106 H ALA 31 H ALA 31 6.283 12.113 1.411 107 HA ALA 31 HA ALA 31 4.803 11.577 3.774 108 1HB ALA 31 1HB ALA 31 7.396 11.421 3.213 109 2HB ALA 31 2HB ALA 31 6.801 11.616 4.862 110 3HB ALA 31 3HB ALA 31 7.389 13.016 3.965 111 H ASP 32 H ASP 32 3.254 12.927 4.437 112 HA ASP 32 HA ASP 32 3.302 15.736 3.969 113 1HB ASP 32 2HB ASP 32 1.354 13.902 4.623 114 2HB ASP 32 1HB ASP 32 1.523 14.823 6.115 115 HA PRO 33 HA PRO 33 5.618 16.949 7.544 116 1HB PRO 33 2HB PRO 33 5.138 19.587 7.506 117 2HB PRO 33 1HB PRO 33 6.105 18.805 6.249 118 1HG PRO 33 2HG PRO 33 3.243 19.669 6.175 119 2HG PRO 33 1HG PRO 33 4.488 19.812 4.922 120 1HD PRO 33 2HD PRO 33 2.563 17.845 4.988 121 2HD PRO 33 1HD PRO 33 4.126 17.691 4.160 122 H VAL 34 H VAL 34 3.406 15.687 8.435 123 HA VAL 34 HA VAL 34 2.664 17.294 10.728 124 HB VAL 34 HB VAL 34 0.481 16.092 9.023 125 1HG1 VAL 34 1HG1 VAL 34 0.440 16.594 11.680 126 2HG1 VAL 34 2HG1 VAL 34 -0.982 16.660 10.637 127 3HG1 VAL 34 3HG1 VAL 34 -0.117 18.142 11.044 128 1HG2 VAL 34 1HG2 VAL 34 1.338 18.972 9.290 129 2HG2 VAL 34 2HG2 VAL 34 -0.144 18.426 8.503 130 3HG2 VAL 34 3HG2 VAL 34 1.426 17.974 7.838 131 H THR 35 H THR 35 1.366 14.358 9.175 132 HA THR 35 HA THR 35 2.084 12.871 11.616 133 HB THR 35 HB THR 35 -0.347 13.114 11.315 134 HG1 THR 35 1HG THR 35 0.211 11.241 12.305 135 1HG2 THR 35 1HG2 THR 35 -0.281 11.315 8.949 136 2HG2 THR 35 2HG2 THR 35 -0.113 13.056 8.721 137 3HG2 THR 35 3HG2 THR 35 -1.551 12.405 9.507 138 H GLY 36 H GLY 36 2.275 13.008 8.160 139 1HA GLY 36 2HA GLY 36 4.241 11.816 7.239 140 2HA GLY 36 1HA GLY 36 3.714 10.429 8.179 141 H PHE 37 H PHE 37 2.562 8.941 7.145 142 HA PHE 37 HA PHE 37 1.267 9.715 4.614 143 1HB PHE 37 2HB PHE 37 2.544 7.115 5.461 144 2HB PHE 37 1HB PHE 37 1.509 7.250 4.043 145 HD1 PHE 37 1HD PHE 37 4.505 8.868 5.564 146 HD2 PHE 37 2HD PHE 37 2.488 7.683 2.010 147 HE1 PHE 37 1HE PHE 37 6.438 9.598 4.230 148 HE2 PHE 37 2HE PHE 37 4.417 8.411 0.668 149 HZ PHE 37 HZ PHE 37 6.399 9.368 1.776 150 H GLY 38 H GLY 38 0.811 8.297 7.732 151 1HA GLY 38 2HA GLY 38 -1.059 7.561 8.829 152 2HA GLY 38 1HA GLY 38 -1.972 8.504 7.664 153 H ILE 39 H ILE 39 -0.006 5.538 7.487 154 HA ILE 39 HA ILE 39 -2.354 4.026 6.672 155 HB ILE 39 HB ILE 39 -1.446 4.913 4.560 156 1HG1 ILE 39 2HG1 ILE 39 -0.680 2.078 4.324 157 2HG1 ILE 39 1HG1 ILE 39 -2.239 2.355 5.101 158 1HG2 ILE 39 1HG2 ILE 39 0.914 5.049 5.363 159 2HG2 ILE 39 2HG2 ILE 39 0.724 4.346 3.757 160 3HG2 ILE 39 3HG2 ILE 39 1.027 3.303 5.147 161 1HD1 ILE 39 1HD1 ILE 39 -3.157 2.605 3.109 162 2HD1 ILE 39 2HD1 ILE 39 -1.582 2.402 2.340 163 3HD1 ILE 39 3HD1 ILE 39 -2.129 4.008 2.816 164 H GLN 40 H GLN 40 -2.322 2.077 7.600 165 HA GLN 40 HA GLN 40 0.261 1.072 8.596 166 1HB GLN 40 2HB GLN 40 -2.196 1.538 9.937 167 2HB GLN 40 1HB GLN 40 -1.949 -0.202 9.893 168 1HG GLN 40 2HG GLN 40 -0.931 0.429 11.868 169 2HG GLN 40 1HG GLN 40 0.419 0.320 10.739 170 1HE2 GLN 40 1HE2 GLN 40 -2.026 2.786 11.490 171 2HE2 GLN 40 2HE2 GLN 40 -0.893 4.076 11.738 172 H LEU 41 H LEU 41 0.762 -1.098 8.413 173 HA LEU 41 HA LEU 41 -0.942 -2.656 6.582 174 1HB LEU 41 2HB LEU 41 1.991 -3.159 6.710 175 2HB LEU 41 1HB LEU 41 0.875 -3.390 5.377 176 HG LEU 41 HG LEU 41 0.875 -0.648 5.696 177 1HD1 LEU 41 1HD1 LEU 41 3.435 -1.764 6.644 178 2HD1 LEU 41 2HD1 LEU 41 2.665 -0.218 6.999 179 3HD1 LEU 41 3HD1 LEU 41 3.543 -0.438 5.486 180 1HD2 LEU 41 1HD2 LEU 41 1.517 -0.676 3.538 181 2HD2 LEU 41 2HD2 LEU 41 1.279 -2.417 3.697 182 3HD2 LEU 41 3HD2 LEU 41 2.896 -1.731 3.851 183 H GLN 42 H GLN 42 -0.420 -5.069 6.732 184 HA GLN 42 HA GLN 42 0.448 -5.915 9.380 185 1HB GLN 42 2HB GLN 42 -2.332 -5.756 8.581 186 2HB GLN 42 1HB GLN 42 -1.884 -7.409 8.978 187 1HG GLN 42 2HG GLN 42 -1.113 -6.717 11.157 188 2HG GLN 42 1HG GLN 42 -1.438 -5.029 10.765 189 1HE2 GLN 42 1HE2 GLN 42 -3.310 -7.993 10.252 190 2HE2 GLN 42 2HE2 GLN 42 -4.718 -7.458 11.111 191 H GLY 43 H GLY 43 1.036 -8.099 9.513 192 1HA GLY 43 2HA GLY 43 1.581 -9.310 6.901 193 2HA GLY 43 1HA GLY 43 2.371 -9.720 8.415 194 H SER 44 H SER 44 -1.104 -9.447 7.906 195 HA SER 44 HA SER 44 -1.373 -12.357 7.965 196 1HB SER 44 2HB SER 44 -3.353 -11.752 9.690 197 2HB SER 44 1HB SER 44 -1.730 -12.195 10.213 198 HG SER 44 HG SER 44 -2.988 -9.984 10.758 199 H VAL 45 H VAL 45 -2.881 -13.041 6.598 200 HA VAL 45 HA VAL 45 -4.858 -11.096 5.625 201 HB VAL 45 HB VAL 45 -3.666 -13.438 4.140 202 1HG1 VAL 45 1HG1 VAL 45 -5.668 -13.335 3.085 203 2HG1 VAL 45 2HG1 VAL 45 -4.892 -11.998 2.236 204 3HG1 VAL 45 3HG1 VAL 45 -5.974 -11.675 3.591 205 1HG2 VAL 45 1HG2 VAL 45 -2.356 -11.958 2.944 206 2HG2 VAL 45 2HG2 VAL 45 -2.309 -11.259 4.563 207 3HG2 VAL 45 3HG2 VAL 45 -3.376 -10.573 3.337 208 H PHE 46 H PHE 46 -4.298 -14.332 6.722 209 HA PHE 46 HA PHE 46 -6.830 -14.709 7.805 210 1HB PHE 46 2HB PHE 46 -7.211 -14.806 5.179 211 2HB PHE 46 1HB PHE 46 -6.657 -16.461 5.395 212 HD1 PHE 46 1HD PHE 46 -7.876 -17.909 7.094 213 HD2 PHE 46 2HD PHE 46 -9.416 -14.218 5.641 214 HE1 PHE 46 1HE PHE 46 -10.134 -18.577 7.806 215 HE2 PHE 46 2HE PHE 46 -11.678 -14.879 6.351 216 HZ PHE 46 HZ PHE 46 -12.038 -17.060 7.435 217 H ALA 47 H ALA 47 -6.287 -15.983 9.441 218 HA ALA 47 HA ALA 47 -5.275 -18.606 9.055 219 1HB ALA 47 1HB ALA 47 -3.310 -17.137 10.682 220 2HB ALA 47 2HB ALA 47 -3.267 -16.806 8.950 221 3HB ALA 47 3HB ALA 47 -3.079 -18.459 9.536 222 H THR 48 H THR 48 -7.517 -17.968 10.273 223 HA THR 48 HA THR 48 -8.716 -18.353 12.163 224 HB THR 48 HB THR 48 -6.111 -19.171 13.439 225 HG1 THR 48 1HG THR 48 -6.283 -20.513 11.757 226 1HG2 THR 48 1HG2 THR 48 -8.840 -20.237 14.058 227 2HG2 THR 48 2HG2 THR 48 -8.150 -18.859 14.915 228 3HG2 THR 48 3HG2 THR 48 -7.346 -20.428 14.973 229 H GLU 49 H GLU 49 -5.652 -17.312 13.535 230 HA GLU 49 HA GLU 49 -6.844 -14.775 14.344 231 1HB GLU 49 2HB GLU 49 -6.340 -16.985 16.136 232 2HB GLU 49 1HB GLU 49 -5.365 -15.593 16.589 233 1HG GLU 49 2HG GLU 49 -7.400 -14.212 16.632 234 2HG GLU 49 1HG GLU 49 -8.356 -15.643 16.250 235 H THR 50 H THR 50 -3.883 -16.683 14.924 236 HA THR 50 HA THR 50 -2.116 -14.555 15.034 237 HB THR 50 HB THR 50 -1.551 -16.845 15.726 238 HG1 THR 50 1HG THR 50 0.133 -15.374 15.195 239 1HG2 THR 50 1HG2 THR 50 -2.531 -18.161 13.969 240 2HG2 THR 50 2HG2 THR 50 -0.796 -18.474 14.044 241 3HG2 THR 50 3HG2 THR 50 -1.451 -17.434 12.778 242 H LEU 51 H LEU 51 -0.115 -14.858 13.237 243 HA LEU 51 HA LEU 51 -1.388 -14.081 10.697 244 1HB LEU 51 2HB LEU 51 0.257 -12.482 10.342 245 2HB LEU 51 1HB LEU 51 -0.051 -12.360 12.064 246 HG LEU 51 HG LEU 51 2.247 -13.923 10.888 247 1HD1 LEU 51 1HD1 LEU 51 3.039 -11.891 10.355 248 2HD1 LEU 51 2HD1 LEU 51 3.398 -11.799 12.078 249 3HD1 LEU 51 3HD1 LEU 51 1.932 -11.053 11.443 250 1HD2 LEU 51 1HD2 LEU 51 3.058 -13.442 13.319 251 2HD2 LEU 51 2HD2 LEU 51 1.939 -14.769 13.007 252 3HD2 LEU 51 3HD2 LEU 51 1.337 -13.239 13.647 253 H SER 52 H SER 52 -0.434 -14.745 8.744 254 HA SER 52 HA SER 52 1.895 -16.314 8.555 255 1HB SER 52 2HB SER 52 0.065 -17.782 9.775 256 2HB SER 52 1HB SER 52 -0.477 -18.053 8.121 257 HG SER 52 HG SER 52 2.220 -18.400 8.898 258 H SER 53 H SER 53 0.223 -14.249 7.220 259 HA SER 53 HA SER 53 0.323 -15.387 4.513 260 1HB SER 53 2HB SER 53 -2.025 -14.723 5.730 261 2HB SER 53 1HB SER 53 -1.623 -13.207 4.926 262 HG SER 53 HG SER 53 -2.778 -15.200 3.816 263 HA PRO 54 HA PRO 54 2.904 -12.110 3.130 264 1HB PRO 54 2HB PRO 54 0.755 -11.361 1.198 265 2HB PRO 54 1HB PRO 54 2.471 -11.673 0.908 266 1HG PRO 54 2HG PRO 54 0.638 -13.490 0.262 267 2HG PRO 54 1HG PRO 54 2.197 -13.976 0.957 268 1HD PRO 54 2HD PRO 54 -0.496 -13.872 2.231 269 2HD PRO 54 1HD PRO 54 0.841 -15.006 2.506 270 HA PRO 55 HA PRO 55 1.520 -8.440 5.185 271 1HB PRO 55 2HB PRO 55 3.225 -6.613 4.122 272 2HB PRO 55 1HB PRO 55 3.726 -7.813 5.319 273 1HG PRO 55 2HG PRO 55 4.053 -7.855 2.343 274 2HG PRO 55 1HG PRO 55 5.218 -8.301 3.602 275 1HD PRO 55 2HD PRO 55 3.793 -10.144 2.230 276 2HD PRO 55 1HD PRO 55 4.269 -10.379 3.924 277 H LEU 56 H LEU 56 -0.209 -7.221 4.818 278 HA LEU 56 HA LEU 56 -0.533 -5.956 2.192 279 1HB LEU 56 2HB LEU 56 -2.880 -6.547 2.114 280 2HB LEU 56 1HB LEU 56 -1.894 -7.994 2.210 281 HG LEU 56 HG LEU 56 -3.270 -6.767 4.597 282 1HD1 LEU 56 1HD1 LEU 56 -4.658 -9.010 4.144 283 2HD1 LEU 56 2HD1 LEU 56 -4.273 -8.567 2.481 284 3HD1 LEU 56 3HD1 LEU 56 -5.140 -7.434 3.517 285 1HD2 LEU 56 1HD2 LEU 56 -1.496 -9.064 4.143 286 2HD2 LEU 56 2HD2 LEU 56 -2.934 -9.408 5.106 287 3HD2 LEU 56 3HD2 LEU 56 -1.813 -8.143 5.614 288 H ILE 57 H ILE 57 -2.069 -4.162 2.198 289 HA ILE 57 HA ILE 57 -1.794 -2.598 4.625 290 HB ILE 57 HB ILE 57 -2.982 -1.872 1.942 291 1HG1 ILE 57 2HG1 ILE 57 -0.487 -0.595 2.823 292 2HG1 ILE 57 1HG1 ILE 57 -0.347 -2.329 2.547 293 1HG2 ILE 57 1HG2 ILE 57 -2.854 -0.448 4.504 294 2HG2 ILE 57 2HG2 ILE 57 -3.907 -0.192 3.112 295 3HG2 ILE 57 3HG2 ILE 57 -2.276 0.478 3.119 296 1HD1 ILE 57 1HD1 ILE 57 0.016 -0.528 0.631 297 2HD1 ILE 57 2HD1 ILE 57 -1.726 -0.748 0.468 298 3HD1 ILE 57 3HD1 ILE 57 -0.644 -2.133 0.317 299 H SER 58 H SER 58 -3.480 -1.808 5.877 300 HA SER 58 HA SER 58 -6.221 -2.229 5.195 301 1HB SER 58 2HB SER 58 -4.878 -4.113 7.115 302 2HB SER 58 1HB SER 58 -6.595 -3.739 7.270 303 HG SER 58 HG SER 58 -6.799 -5.274 5.845 304 H TYR 59 H TYR 59 -5.035 0.091 5.828 305 HA TYR 59 HA TYR 59 -6.579 1.053 7.960 306 1HB TYR 59 2HB TYR 59 -4.873 -0.194 9.298 307 2HB TYR 59 1HB TYR 59 -3.640 0.880 8.641 308 HD1 TYR 59 1HD TYR 59 -3.807 3.355 9.132 309 HD2 TYR 59 2HD TYR 59 -6.179 0.456 11.151 310 HE1 TYR 59 1HE TYR 59 -4.260 4.980 10.924 311 HE2 TYR 59 2HE TYR 59 -6.639 2.073 12.946 312 HH TYR 59 HH TYR 59 -5.351 4.214 13.869 313 H ILE 60 H ILE 60 -6.849 3.170 7.739 314 HA ILE 60 HA ILE 60 -4.761 4.846 6.619 315 HB ILE 60 HB ILE 60 -7.324 5.390 5.304 316 1HG1 ILE 60 2HG1 ILE 60 -5.800 2.868 4.600 317 2HG1 ILE 60 1HG1 ILE 60 -7.436 2.942 5.244 318 1HG2 ILE 60 1HG2 ILE 60 -5.813 5.626 3.346 319 2HG2 ILE 60 2HG2 ILE 60 -4.473 5.103 4.366 320 3HG2 ILE 60 3HG2 ILE 60 -5.327 6.601 4.735 321 1HD1 ILE 60 1HD1 ILE 60 -8.303 3.786 3.253 322 2HD1 ILE 60 2HD1 ILE 60 -7.144 2.559 2.741 323 3HD1 ILE 60 3HD1 ILE 60 -6.714 4.269 2.659 324 H GLU 61 H GLU 61 -5.138 7.111 6.987 325 HA GLU 61 HA GLU 61 -6.951 7.541 9.243 326 1HB GLU 61 2HB GLU 61 -4.335 8.292 8.814 327 2HB GLU 61 1HB GLU 61 -5.220 9.772 8.467 328 1HG GLU 61 2HG GLU 61 -4.981 10.085 10.679 329 2HG GLU 61 1HG GLU 61 -6.422 9.071 10.752 330 H ALA 62 H ALA 62 -8.257 9.427 9.377 331 HA ALA 62 HA ALA 62 -9.495 10.066 6.835 332 1HB ALA 62 1HB ALA 62 -10.525 9.617 9.304 333 2HB ALA 62 2HB ALA 62 -11.369 10.469 8.012 334 3HB ALA 62 3HB ALA 62 -10.514 11.381 9.255 335 H ASP 63 H ASP 63 -6.916 11.065 7.128 336 HA ASP 63 HA ASP 63 -7.181 13.685 6.275 337 1HB ASP 63 2HB ASP 63 -7.753 14.108 8.670 338 2HB ASP 63 1HB ASP 63 -6.152 13.526 9.115 339 H SER 64 H SER 64 -5.731 11.161 5.816 340 HA SER 64 HA SER 64 -2.994 12.244 5.786 341 1HB SER 64 2HB SER 64 -3.781 9.334 6.069 342 2HB SER 64 1HB SER 64 -2.134 9.965 6.022 343 HG SER 64 HG SER 64 -2.354 10.745 8.011 344 HA PRO 65 HA PRO 65 -3.090 12.131 1.376 345 1HB PRO 65 2HB PRO 65 -0.514 10.970 1.093 346 2HB PRO 65 1HB PRO 65 -0.929 12.683 1.026 347 1HG PRO 65 2HG PRO 65 0.146 11.084 3.283 348 2HG PRO 65 1HG PRO 65 0.383 12.798 2.901 349 1HD PRO 65 2HD PRO 65 -1.210 12.026 4.910 350 2HD PRO 65 1HD PRO 65 -1.625 13.423 3.891 351 H ALA 66 H ALA 66 -2.206 9.285 3.230 352 HA ALA 66 HA ALA 66 -2.271 7.407 1.131 353 1HB ALA 66 1HB ALA 66 -2.525 7.240 4.100 354 2HB ALA 66 2HB ALA 66 -1.293 6.562 3.037 355 3HB ALA 66 3HB ALA 66 -2.892 5.822 3.117 356 H GLU 67 H GLU 67 -4.777 8.577 3.340 357 HA GLU 67 HA GLU 67 -6.818 6.898 2.211 358 1HB GLU 67 2HB GLU 67 -7.126 7.404 4.485 359 2HB GLU 67 1HB GLU 67 -6.780 9.108 4.244 360 1HG GLU 67 2HG GLU 67 -9.131 8.749 4.706 361 2HG GLU 67 1HG GLU 67 -8.899 9.387 3.079 362 H ARG 68 H ARG 68 -6.085 10.376 2.126 363 HA ARG 68 HA ARG 68 -8.210 10.970 0.320 364 1HB ARG 68 2HB ARG 68 -6.831 13.166 0.047 365 2HB ARG 68 1HB ARG 68 -7.672 12.829 1.552 366 1HG ARG 68 2HG ARG 68 -5.016 11.741 1.629 367 2HG ARG 68 1HG ARG 68 -4.975 13.449 1.196 368 1HD ARG 68 2HD ARG 68 -4.851 13.168 3.612 369 2HD ARG 68 1HD ARG 68 -6.339 13.983 3.150 370 HE ARG 68 HE ARG 68 -6.124 11.187 4.059 371 1HH1 ARG 68 1HH1 ARG 68 -8.076 14.013 3.364 372 2HH1 ARG 68 2HH1 ARG 68 -9.476 13.387 4.166 373 1HH2 ARG 68 1HH2 ARG 68 -7.971 10.387 5.118 374 2HH2 ARG 68 2HH2 ARG 68 -9.418 11.334 5.155 375 H CYS 69 H CYS 69 -5.299 9.431 -0.193 376 HA CYS 69 HA CYS 69 -4.256 10.474 -2.518 377 1HB CYS 69 2HB CYS 69 -3.820 8.203 -1.037 378 2HB CYS 69 1HB CYS 69 -4.430 7.541 -2.548 379 HG CYS 69 HG CYS 69 -2.422 8.550 -3.786 380 H GLY 70 H GLY 70 -7.261 8.792 -2.065 381 1HA GLY 70 2HA GLY 70 -9.023 8.448 -3.498 382 2HA GLY 70 1HA GLY 70 -8.225 9.538 -4.620 383 H VAL 71 H VAL 71 -6.571 6.709 -3.478 384 HA VAL 71 HA VAL 71 -7.362 5.051 -5.694 385 HB VAL 71 HB VAL 71 -5.737 6.558 -6.777 386 1HG1 VAL 71 1HG1 VAL 71 -3.300 6.218 -6.117 387 2HG1 VAL 71 2HG1 VAL 71 -3.921 5.557 -4.605 388 3HG1 VAL 71 3HG1 VAL 71 -4.286 7.222 -5.055 389 1HG2 VAL 71 1HG2 VAL 71 -5.918 3.868 -7.020 390 2HG2 VAL 71 2HG2 VAL 71 -4.195 4.057 -6.686 391 3HG2 VAL 71 3HG2 VAL 71 -4.925 4.894 -8.057 392 H LEU 72 H LEU 72 -7.245 4.951 -2.766 393 HA LEU 72 HA LEU 72 -5.702 2.467 -2.525 394 1HB LEU 72 2HB LEU 72 -5.494 4.918 -0.857 395 2HB LEU 72 1HB LEU 72 -5.421 3.374 -0.028 396 HG LEU 72 HG LEU 72 -3.615 4.058 -2.339 397 1HD1 LEU 72 1HD1 LEU 72 -1.892 4.506 -0.612 398 2HD1 LEU 72 2HD1 LEU 72 -3.161 4.464 0.611 399 3HD1 LEU 72 3HD1 LEU 72 -3.187 5.701 -0.645 400 1HD2 LEU 72 1HD2 LEU 72 -3.950 1.789 -0.489 401 2HD2 LEU 72 2HD2 LEU 72 -2.289 2.297 -0.793 402 3HD2 LEU 72 3HD2 LEU 72 -3.330 1.830 -2.139 403 H GLN 73 H GLN 73 -6.515 0.975 -0.982 404 HA GLN 73 HA GLN 73 -9.016 1.582 0.356 405 1HB GLN 73 2HB GLN 73 -9.173 0.548 -2.178 406 2HB GLN 73 1HB GLN 73 -9.216 -0.907 -1.195 407 1HG GLN 73 2HG GLN 73 -11.454 -0.273 -1.539 408 2HG GLN 73 1HG GLN 73 -11.066 0.172 0.123 409 1HE2 GLN 73 1HE2 GLN 73 -11.327 2.219 0.750 410 2HE2 GLN 73 2HE2 GLN 73 -11.759 3.530 -0.298 411 H ILE 74 H ILE 74 -9.814 -0.478 1.532 412 HA ILE 74 HA ILE 74 -7.555 -1.504 3.015 413 HB ILE 74 HB ILE 74 -10.455 -2.229 3.411 414 1HG1 ILE 74 2HG1 ILE 74 -10.191 0.225 3.432 415 2HG1 ILE 74 1HG1 ILE 74 -10.587 -0.402 5.029 416 1HG2 ILE 74 1HG2 ILE 74 -9.839 -3.198 5.354 417 2HG2 ILE 74 2HG2 ILE 74 -8.565 -2.017 5.664 418 3HG2 ILE 74 3HG2 ILE 74 -8.283 -3.341 4.535 419 1HD1 ILE 74 1HD1 ILE 74 -8.658 0.299 5.913 420 2HD1 ILE 74 2HD1 ILE 74 -8.610 1.366 4.509 421 3HD1 ILE 74 3HD1 ILE 74 -7.719 -0.157 4.490 422 H GLY 75 H GLY 75 -6.730 -2.675 1.076 423 1HA GLY 75 2HA GLY 75 -6.960 -5.404 1.309 424 2HA GLY 75 1HA GLY 75 -8.155 -4.957 0.103 425 H ASP 76 H ASP 76 -5.016 -3.424 0.613 426 HA ASP 76 HA ASP 76 -4.224 -4.352 -2.070 427 1HB ASP 76 2HB ASP 76 -3.264 -1.842 -0.684 428 2HB ASP 76 1HB ASP 76 -3.001 -2.304 -2.363 429 H ARG 77 H ARG 77 -2.537 -5.689 -2.132 430 HA ARG 77 HA ARG 77 -0.846 -5.894 0.257 431 1HB ARG 77 2HB ARG 77 -0.168 -8.089 -0.675 432 2HB ARG 77 1HB ARG 77 -1.898 -7.964 -0.386 433 1HG ARG 77 2HG ARG 77 -1.483 -7.118 -3.030 434 2HG ARG 77 1HG ARG 77 -0.499 -8.566 -2.809 435 1HD ARG 77 2HD ARG 77 -2.766 -9.368 -1.613 436 2HD ARG 77 1HD ARG 77 -3.437 -8.235 -2.785 437 HE ARG 77 HE ARG 77 -1.675 -9.837 -4.182 438 1HH1 ARG 77 1HH1 ARG 77 -4.593 -10.282 -2.321 439 2HH1 ARG 77 2HH1 ARG 77 -5.106 -11.667 -3.223 440 1HH2 ARG 77 1HH2 ARG 77 -2.347 -11.659 -5.370 441 2HH2 ARG 77 2HH2 ARG 77 -3.831 -12.451 -4.955 442 H VAL 78 H VAL 78 0.868 -4.589 0.133 443 HA VAL 78 HA VAL 78 2.144 -3.875 -2.321 444 HB VAL 78 HB VAL 78 4.000 -3.056 -0.702 445 1HG1 VAL 78 1HG1 VAL 78 2.149 -1.732 -1.860 446 2HG1 VAL 78 2HG1 VAL 78 2.901 -1.009 -0.438 447 3HG1 VAL 78 3HG1 VAL 78 1.318 -1.776 -0.305 448 1HG2 VAL 78 1HG2 VAL 78 3.715 -3.182 1.526 449 2HG2 VAL 78 2HG2 VAL 78 2.661 -4.539 1.128 450 3HG2 VAL 78 3HG2 VAL 78 1.972 -2.943 1.421 451 H MET 79 H MET 79 3.962 -4.669 -3.273 452 HA MET 79 HA MET 79 5.543 -6.692 -1.906 453 1HB MET 79 2HB MET 79 3.482 -7.559 -3.452 454 2HB MET 79 1HB MET 79 4.777 -7.495 -4.638 455 1HG MET 79 2HG MET 79 5.229 -8.844 -2.017 456 2HG MET 79 1HG MET 79 4.341 -9.671 -3.294 457 1HE MET 79 1HE MET 79 5.777 -8.675 -5.964 458 2HE MET 79 2HE MET 79 5.301 -10.331 -5.586 459 3HE MET 79 3HE MET 79 6.941 -9.989 -6.139 460 H ALA 80 H ALA 80 5.824 -3.925 -3.123 461 HA ALA 80 HA ALA 80 8.448 -4.241 -4.107 462 1HB ALA 80 1HB ALA 80 7.635 -5.038 -6.143 463 2HB ALA 80 2HB ALA 80 7.928 -3.326 -6.447 464 3HB ALA 80 3HB ALA 80 6.285 -3.901 -6.157 465 H ILE 81 H ILE 81 7.868 -2.676 -2.161 466 HA ILE 81 HA ILE 81 7.173 -0.002 -3.065 467 HB ILE 81 HB ILE 81 8.037 -0.842 -0.300 468 1HG1 ILE 81 2HG1 ILE 81 5.239 -0.649 -1.444 469 2HG1 ILE 81 1HG1 ILE 81 6.077 -2.146 -1.029 470 1HG2 ILE 81 1HG2 ILE 81 7.071 1.652 -1.529 471 2HG2 ILE 81 2HG2 ILE 81 8.098 1.402 -0.116 472 3HG2 ILE 81 3HG2 ILE 81 6.348 1.235 0.025 473 1HD1 ILE 81 1HD1 ILE 81 4.502 -0.447 0.625 474 2HD1 ILE 81 2HD1 ILE 81 6.147 -0.508 1.259 475 3HD1 ILE 81 3HD1 ILE 81 5.242 -2.002 1.009 476 H ASN 82 H ASN 82 8.603 1.465 -3.684 477 HA ASN 82 HA ASN 82 10.614 2.364 -4.293 478 1HB ASN 82 2HB ASN 82 11.988 3.064 -2.414 479 2HB ASN 82 1HB ASN 82 10.284 3.236 -2.005 480 1HD2 ASN 82 1HD2 ASN 82 13.257 1.731 -1.249 481 2HD2 ASN 82 2HD2 ASN 82 12.710 0.828 0.127 482 H GLY 83 H GLY 83 10.449 -0.519 -4.645 483 1HA GLY 83 2HA GLY 83 12.168 -1.790 -5.732 484 2HA GLY 83 1HA GLY 83 13.339 -1.072 -4.635 485 H ILE 84 H ILE 84 12.164 -1.486 -2.189 486 HA ILE 84 HA ILE 84 12.786 -4.219 -1.723 487 HB ILE 84 HB ILE 84 11.415 -2.318 0.173 488 1HG1 ILE 84 2HG1 ILE 84 13.581 -1.475 -0.893 489 2HG1 ILE 84 1HG1 ILE 84 13.528 -1.518 0.866 490 1HG2 ILE 84 1HG2 ILE 84 12.544 -5.014 0.399 491 2HG2 ILE 84 2HG2 ILE 84 11.330 -4.202 1.387 492 3HG2 ILE 84 3HG2 ILE 84 13.044 -3.892 1.666 493 1HD1 ILE 84 1HD1 ILE 84 15.072 -3.184 1.005 494 2HD1 ILE 84 2HD1 ILE 84 15.603 -2.403 -0.484 495 3HD1 ILE 84 3HD1 ILE 84 14.634 -3.874 -0.558 496 HA PRO 85 HA PRO 85 8.535 -5.536 -2.467 497 1HB PRO 85 2HB PRO 85 9.055 -8.092 -3.015 498 2HB PRO 85 1HB PRO 85 9.487 -6.811 -4.155 499 1HG PRO 85 2HG PRO 85 11.224 -8.320 -2.252 500 2HG PRO 85 1HG PRO 85 11.573 -7.782 -3.904 501 1HD PRO 85 2HD PRO 85 12.376 -6.482 -1.571 502 2HD PRO 85 1HD PRO 85 12.317 -5.757 -3.187 503 H THR 86 H THR 86 10.270 -5.761 0.220 504 HA THR 86 HA THR 86 10.005 -6.637 2.301 505 HB THR 86 HB THR 86 7.764 -6.830 3.111 506 HG1 THR 86 1HG THR 86 6.016 -7.080 1.731 507 1HG2 THR 86 1HG2 THR 86 6.574 -4.898 1.931 508 2HG2 THR 86 2HG2 THR 86 8.050 -4.754 0.979 509 3HG2 THR 86 3HG2 THR 86 8.110 -4.567 2.731 510 H GLU 87 H GLU 87 11.356 -8.449 1.708 511 HA GLU 87 HA GLU 87 10.066 -10.936 0.985 512 1HB GLU 87 2HB GLU 87 12.525 -9.974 0.456 513 2HB GLU 87 1HB GLU 87 12.891 -10.929 1.886 514 1HG GLU 87 2HG GLU 87 12.763 -12.836 0.760 515 2HG GLU 87 1HG GLU 87 11.231 -12.384 0.015 516 H ASP 88 H ASP 88 8.741 -10.554 3.084 517 HA ASP 88 HA ASP 88 9.472 -12.554 4.924 518 1HB ASP 88 2HB ASP 88 10.767 -10.157 5.451 519 2HB ASP 88 1HB ASP 88 9.390 -10.132 6.547 520 H SER 89 H SER 89 7.942 -12.630 6.812 521 HA SER 89 HA SER 89 5.305 -11.726 5.910 522 1HB SER 89 2HB SER 89 5.824 -14.183 6.443 523 2HB SER 89 1HB SER 89 5.835 -13.690 8.136 524 HG SER 89 HG SER 89 3.720 -13.330 8.067 525 H THR 90 H THR 90 7.179 -9.922 7.211 526 HA THR 90 HA THR 90 5.664 -9.336 9.671 527 HB THR 90 HB THR 90 7.931 -9.865 10.262 528 HG1 THR 90 1HG THR 90 7.717 -7.040 10.209 529 1HG2 THR 90 1HG2 THR 90 9.519 -7.863 9.168 530 2HG2 THR 90 2HG2 THR 90 8.602 -8.521 7.813 531 3HG2 THR 90 3HG2 THR 90 9.581 -9.590 8.817 532 H PHE 91 H PHE 91 4.316 -7.698 9.369 533 HA PHE 91 HA PHE 91 4.360 -5.933 7.209 534 1HB PHE 91 2HB PHE 91 2.599 -4.746 8.302 535 2HB PHE 91 1HB PHE 91 2.391 -6.450 8.689 536 HD1 PHE 91 1HD PHE 91 2.840 -3.144 9.985 537 HD2 PHE 91 2HD PHE 91 3.155 -7.278 10.942 538 HE1 PHE 91 1HE PHE 91 2.806 -2.587 12.382 539 HE2 PHE 91 2HE PHE 91 3.121 -6.730 13.341 540 HZ PHE 91 HZ PHE 91 2.947 -4.381 14.064 541 H GLU 92 H GLU 92 6.086 -5.854 10.198 542 HA GLU 92 HA GLU 92 6.584 -3.146 10.530 543 1HB GLU 92 2HB GLU 92 7.442 -5.465 11.733 544 2HB GLU 92 1HB GLU 92 8.924 -4.845 11.018 545 1HG GLU 92 2HG GLU 92 8.292 -2.622 12.126 546 2HG GLU 92 1HG GLU 92 7.163 -3.582 13.082 547 H GLU 93 H GLU 93 7.937 -5.409 8.238 548 HA GLU 93 HA GLU 93 10.161 -3.890 7.414 549 1HB GLU 93 2HB GLU 93 9.271 -6.375 6.844 550 2HB GLU 93 1HB GLU 93 8.776 -5.538 5.378 551 1HG GLU 93 2HG GLU 93 10.900 -5.223 4.670 552 2HG GLU 93 1HG GLU 93 11.540 -5.065 6.306 553 H ALA 94 H ALA 94 6.915 -4.204 5.978 554 HA ALA 94 HA ALA 94 7.239 -2.336 3.932 555 1HB ALA 94 1HB ALA 94 4.815 -2.255 3.826 556 2HB ALA 94 2HB ALA 94 4.700 -2.995 5.421 557 3HB ALA 94 3HB ALA 94 5.359 -3.915 4.069 558 H ASN 95 H ASN 95 6.168 -1.916 7.279 559 HA ASN 95 HA ASN 95 5.434 0.774 7.149 560 1HB ASN 95 2HB ASN 95 5.779 -1.185 9.175 561 2HB ASN 95 1HB ASN 95 6.679 0.242 9.677 562 1HD2 ASN 95 1HD2 ASN 95 3.891 -1.203 10.136 563 2HD2 ASN 95 2HD2 ASN 95 2.830 0.155 10.332 564 H GLN 96 H GLN 96 8.576 -0.746 7.638 565 HA GLN 96 HA GLN 96 10.033 1.562 8.240 566 1HB GLN 96 2HB GLN 96 10.946 -0.632 8.674 567 2HB GLN 96 1HB GLN 96 10.878 -1.040 6.966 568 1HG GLN 96 2HG GLN 96 13.117 -0.563 7.387 569 2HG GLN 96 1HG GLN 96 12.489 0.882 6.599 570 1HE2 GLN 96 1HE2 GLN 96 14.593 1.586 7.694 571 2HE2 GLN 96 2HE2 GLN 96 14.424 2.270 9.279 572 H LEU 97 H LEU 97 9.249 -0.026 5.185 573 HA LEU 97 HA LEU 97 10.834 1.531 3.486 574 1HB LEU 97 2HB LEU 97 8.113 0.501 2.727 575 2HB LEU 97 1HB LEU 97 9.515 0.721 1.697 576 HG LEU 97 HG LEU 97 9.088 -1.420 3.776 577 1HD1 LEU 97 1HD1 LEU 97 8.026 -1.688 1.539 578 2HD1 LEU 97 2HD1 LEU 97 9.205 -2.937 1.938 579 3HD1 LEU 97 3HD1 LEU 97 9.637 -1.638 0.825 580 1HD2 LEU 97 1HD2 LEU 97 11.388 -2.141 2.617 581 2HD2 LEU 97 2HD2 LEU 97 11.318 -1.186 4.099 582 3HD2 LEU 97 3HD2 LEU 97 11.572 -0.388 2.547 583 H LEU 98 H LEU 98 7.556 2.045 4.709 584 HA LEU 98 HA LEU 98 7.184 4.484 3.233 585 1HB LEU 98 2HB LEU 98 5.586 3.628 5.631 586 2HB LEU 98 1HB LEU 98 5.078 4.637 4.291 587 HG LEU 98 HG LEU 98 5.729 1.709 3.996 588 1HD1 LEU 98 1HD1 LEU 98 2.950 2.812 4.060 589 2HD1 LEU 98 2HD1 LEU 98 3.765 2.349 5.554 590 3HD1 LEU 98 3HD1 LEU 98 3.502 1.152 4.285 591 1HD2 LEU 98 1HD2 LEU 98 4.806 3.870 2.202 592 2HD2 LEU 98 2HD2 LEU 98 4.037 2.295 2.009 593 3HD2 LEU 98 3HD2 LEU 98 5.787 2.446 1.855 594 H ARG 99 H ARG 99 8.329 3.584 6.405 595 HA ARG 99 HA ARG 99 8.112 6.105 7.650 596 1HB ARG 99 2HB ARG 99 9.220 3.523 8.271 597 2HB ARG 99 1HB ARG 99 10.353 4.782 8.738 598 1HG ARG 99 2HG ARG 99 8.979 4.325 10.614 599 2HG ARG 99 1HG ARG 99 8.484 5.892 9.971 600 1HD ARG 99 2HD ARG 99 6.410 5.044 10.082 601 2HD ARG 99 1HD ARG 99 6.853 4.206 8.595 602 HE ARG 99 HE ARG 99 6.883 2.229 9.752 603 1HH1 ARG 99 1HH1 ARG 99 6.864 4.877 12.026 604 2HH1 ARG 99 2HH1 ARG 99 6.616 3.857 13.404 605 1HH2 ARG 99 1HH2 ARG 99 6.555 0.886 11.562 606 2HH2 ARG 99 2HH2 ARG 99 6.441 1.592 13.140 607 H ASP 100 H ASP 100 10.652 4.617 5.703 608 HA ASP 100 HA ASP 100 12.518 6.747 6.108 609 1HB ASP 100 2HB ASP 100 13.843 5.638 4.359 610 2HB ASP 100 1HB ASP 100 13.292 4.491 5.576 611 H SER 101 H SER 101 9.703 6.566 4.332 612 HA SER 101 HA SER 101 10.399 7.884 1.945 613 1HB SER 101 2HB SER 101 7.743 8.083 3.374 614 2HB SER 101 1HB SER 101 8.049 8.255 1.646 615 HG SER 101 HG SER 101 8.843 5.994 1.819 616 H SER 102 H SER 102 10.048 9.007 5.183 617 HA SER 102 HA SER 102 9.359 11.683 4.769 618 1HB SER 102 2HB SER 102 10.365 10.068 6.944 619 2HB SER 102 1HB SER 102 11.159 11.642 6.933 620 HG SER 102 HG SER 102 8.958 12.518 6.745 621 H ILE 103 H ILE 103 12.494 10.058 4.657 622 HA ILE 103 HA ILE 103 14.236 12.167 4.585 623 HB ILE 103 HB ILE 103 14.409 9.729 2.834 624 1HG1 ILE 103 2HG1 ILE 103 13.980 9.038 5.101 625 2HG1 ILE 103 1HG1 ILE 103 15.682 8.796 4.759 626 1HG2 ILE 103 1HG2 ILE 103 16.142 11.081 2.128 627 2HG2 ILE 103 2HG2 ILE 103 16.915 10.167 3.423 628 3HG2 ILE 103 3HG2 ILE 103 16.357 11.815 3.718 629 1HD1 ILE 103 1HD1 ILE 103 14.516 11.089 6.302 630 2HD1 ILE 103 2HD1 ILE 103 16.228 10.846 5.955 631 3HD1 ILE 103 3HD1 ILE 103 15.364 9.699 6.981 632 H THR 104 H THR 104 13.001 10.584 1.634 633 HA THR 104 HA THR 104 13.646 12.927 0.063 634 HB THR 104 HB THR 104 14.084 10.739 -0.893 635 HG1 THR 104 1HG THR 104 13.219 11.145 -2.848 636 1HG2 THR 104 1HG2 THR 104 11.592 10.017 0.191 637 2HG2 THR 104 2HG2 THR 104 12.731 9.009 -0.701 638 3HG2 THR 104 3HG2 THR 104 11.458 9.875 -1.561 639 H SER 105 H SER 105 11.083 12.060 1.972 640 HA SER 105 HA SER 105 8.979 12.862 2.250 641 1HB SER 105 2HB SER 105 10.359 14.945 0.713 642 2HB SER 105 1HB SER 105 8.607 14.967 0.516 643 HG SER 105 HG SER 105 9.857 14.831 3.051 644 H LYS 106 H LYS 106 9.709 10.941 0.002 645 HA LYS 106 HA LYS 106 7.063 10.850 -1.140 646 1HB LYS 106 2HB LYS 106 8.107 12.351 -2.722 647 2HB LYS 106 1HB LYS 106 9.486 11.276 -2.894 648 1HG LYS 106 2HG LYS 106 8.035 11.090 -4.813 649 2HG LYS 106 1HG LYS 106 8.022 9.581 -3.898 650 1HD LYS 106 2HD LYS 106 5.793 9.742 -4.001 651 2HD LYS 106 1HD LYS 106 5.960 10.982 -2.759 652 1HE LYS 106 2HE LYS 106 5.839 11.426 -5.738 653 2HE LYS 106 1HE LYS 106 4.572 11.798 -4.571 654 1HZ LYS 106 1HZ LYS 106 5.716 13.800 -5.062 655 2HZ LYS 106 2HZ LYS 106 7.230 13.092 -4.810 656 3HZ LYS 106 3HZ LYS 106 6.186 13.344 -3.503 657 H VAL 107 H VAL 107 6.534 8.846 -2.058 658 HA VAL 107 HA VAL 107 8.530 6.756 -2.179 659 HB VAL 107 HB VAL 107 7.851 6.874 0.239 660 1HG1 VAL 107 1HG1 VAL 107 5.348 7.240 -0.611 661 2HG1 VAL 107 2HG1 VAL 107 5.731 6.545 0.965 662 3HG1 VAL 107 3HG1 VAL 107 5.314 5.492 -0.387 663 1HG2 VAL 107 1HG2 VAL 107 8.082 4.612 0.498 664 2HG2 VAL 107 2HG2 VAL 107 8.590 4.783 -1.181 665 3HG2 VAL 107 3HG2 VAL 107 6.957 4.237 -0.805 666 H THR 108 H THR 108 7.889 4.968 -3.362 667 HA THR 108 HA THR 108 5.188 5.097 -4.532 668 HB THR 108 HB THR 108 6.622 3.811 -6.457 669 HG1 THR 108 1HG THR 108 8.597 4.656 -6.637 670 1HG2 THR 108 1HG2 THR 108 5.100 5.898 -6.560 671 2HG2 THR 108 2HG2 THR 108 6.329 5.656 -7.801 672 3HG2 THR 108 3HG2 THR 108 6.617 6.792 -6.483 673 H LEU 109 H LEU 109 4.074 3.473 -3.670 674 HA LEU 109 HA LEU 109 5.441 0.930 -3.150 675 1HB LEU 109 2HB LEU 109 3.201 0.479 -1.904 676 2HB LEU 109 1HB LEU 109 4.423 1.503 -1.175 677 HG LEU 109 HG LEU 109 2.378 2.878 -2.814 678 1HD1 LEU 109 1HD1 LEU 109 0.813 2.876 -0.855 679 2HD1 LEU 109 2HD1 LEU 109 1.754 1.540 -0.193 680 3HD1 LEU 109 3HD1 LEU 109 0.916 1.351 -1.734 681 1HD2 LEU 109 1HD2 LEU 109 2.535 4.217 -0.509 682 2HD2 LEU 109 2HD2 LEU 109 3.691 4.435 -1.822 683 3HD2 LEU 109 3HD2 LEU 109 4.091 3.388 -0.459 684 H GLU 110 H GLU 110 5.039 -0.825 -4.306 685 HA GLU 110 HA GLU 110 2.963 -0.719 -6.358 686 1HB GLU 110 2HB GLU 110 5.550 -2.008 -6.089 687 2HB GLU 110 1HB GLU 110 4.315 -3.165 -6.561 688 1HG GLU 110 2HG GLU 110 4.245 -0.645 -8.047 689 2HG GLU 110 1HG GLU 110 5.714 -1.593 -8.270 690 H ILE 111 H ILE 111 1.018 -1.325 -5.643 691 HA ILE 111 HA ILE 111 0.858 -3.600 -3.789 692 HB ILE 111 HB ILE 111 -1.654 -2.565 -3.751 693 1HG1 ILE 111 2HG1 ILE 111 0.140 -0.147 -3.714 694 2HG1 ILE 111 1HG1 ILE 111 -0.710 -0.649 -5.177 695 1HG2 ILE 111 1HG2 ILE 111 -1.212 -2.404 -1.573 696 2HG2 ILE 111 2HG2 ILE 111 0.089 -1.242 -1.832 697 3HG2 ILE 111 3HG2 ILE 111 0.404 -2.969 -1.985 698 1HD1 ILE 111 1HD1 ILE 111 -1.771 0.480 -2.655 699 2HD1 ILE 111 2HD1 ILE 111 -2.780 -0.636 -3.573 700 3HD1 ILE 111 3HD1 ILE 111 -2.191 0.844 -4.327 701 H GLU 112 H GLU 112 -0.960 -5.049 -3.987 702 HA GLU 112 HA GLU 112 -1.839 -5.400 -6.777 703 1HB GLU 112 2HB GLU 112 -0.190 -7.115 -5.624 704 2HB GLU 112 1HB GLU 112 -1.672 -7.715 -4.892 705 1HG GLU 112 2HG GLU 112 -2.516 -8.472 -6.879 706 2HG GLU 112 1HG GLU 112 -1.595 -7.314 -7.838 707 H PHE 113 H PHE 113 -3.961 -5.199 -7.044 708 HA PHE 113 HA PHE 113 -5.699 -5.586 -4.699 709 1HB PHE 113 2HB PHE 113 -7.239 -4.002 -5.703 710 2HB PHE 113 1HB PHE 113 -5.635 -3.280 -5.603 711 HD1 PHE 113 1HD PHE 113 -4.321 -2.889 -7.611 712 HD2 PHE 113 2HD PHE 113 -8.242 -4.527 -7.821 713 HE1 PHE 113 1HE PHE 113 -4.393 -2.396 -10.020 714 HE2 PHE 113 2HE PHE 113 -8.322 -4.039 -10.229 715 HZ PHE 113 HZ PHE 113 -6.396 -2.973 -11.333 716 H ASP 114 H ASP 114 -7.366 -6.975 -4.792 717 HA ASP 114 HA ASP 114 -7.790 -8.405 -7.332 718 1HB ASP 114 2HB ASP 114 -6.849 -9.766 -5.455 719 2HB ASP 114 1HB ASP 114 -8.310 -9.433 -4.533 720 H VAL 115 H VAL 115 -9.458 -7.270 -8.203 721 HA VAL 115 HA VAL 115 -11.691 -6.361 -6.658 722 HB VAL 115 HB VAL 115 -11.714 -6.623 -9.649 723 1HG1 VAL 115 1HG1 VAL 115 -12.860 -4.534 -7.804 724 2HG1 VAL 115 2HG1 VAL 115 -13.757 -5.901 -8.469 725 3HG1 VAL 115 3HG1 VAL 115 -13.113 -4.659 -9.544 726 1HG2 VAL 115 1HG2 VAL 115 -10.711 -4.291 -9.654 727 2HG2 VAL 115 2HG2 VAL 115 -9.605 -5.619 -9.305 728 3HG2 VAL 115 3HG2 VAL 115 -10.216 -4.610 -7.993 729 H ALA 116 H ALA 116 -13.865 -7.060 -6.832 730 HA ALA 116 HA ALA 116 -14.191 -9.825 -7.798 731 1HB ALA 116 1HB ALA 116 -14.831 -8.642 -5.160 732 2HB ALA 116 2HB ALA 116 -14.308 -10.273 -5.575 733 3HB ALA 116 3HB ALA 116 -15.985 -9.795 -5.826 734 H GLU 117 H GLU 117 -14.785 -7.949 -9.564 735 HA GLU 117 HA GLU 117 -17.726 -7.833 -9.511 736 1HB GLU 117 2HB GLU 117 -15.764 -5.680 -10.242 737 2HB GLU 117 1HB GLU 117 -17.377 -5.689 -10.938 738 1HG GLU 117 2HG GLU 117 -17.352 -6.020 -8.040 739 2HG GLU 117 1HG GLU 117 -16.662 -4.494 -8.592 740 H SER 118 H SER 118 -16.495 -9.958 -10.634 741 HA SER 118 HA SER 118 -15.743 -9.732 -13.321 742 1HB SER 118 2HB SER 118 -16.207 -12.140 -13.472 743 2HB SER 118 1HB SER 118 -15.350 -11.758 -11.978 744 HG SER 118 HG SER 118 -17.489 -13.126 -12.103 Start of MODEL 10 1 1H GLN 18 1HT GLN 18 -11.128 -14.915 -13.074 2 2H GLN 18 2HT GLN 18 -11.707 -13.310 -12.892 3 3H GLN 18 3HT GLN 18 -10.640 -13.698 -14.177 4 HA GLN 18 HA GLN 18 -12.228 -14.972 -15.256 5 1HB GLN 18 2HB GLN 18 -13.514 -14.844 -12.576 6 2HB GLN 18 1HB GLN 18 -14.581 -14.924 -13.972 7 1HG GLN 18 2HG GLN 18 -14.011 -17.055 -14.463 8 2HG GLN 18 1HG GLN 18 -12.352 -16.860 -13.899 9 1HE2 GLN 18 1HE2 GLN 18 -12.183 -16.520 -11.472 10 2HE2 GLN 18 2HE2 GLN 18 -13.163 -17.557 -10.486 11 H VAL 19 H VAL 19 -12.276 -13.354 -16.737 12 HA VAL 19 HA VAL 19 -12.712 -11.295 -17.671 13 HB VAL 19 HB VAL 19 -14.581 -12.787 -18.244 14 1HG1 VAL 19 1HG1 VAL 19 -16.793 -11.969 -16.976 15 2HG1 VAL 19 2HG1 VAL 19 -15.626 -11.792 -15.666 16 3HG1 VAL 19 3HG1 VAL 19 -15.837 -13.355 -16.451 17 1HG2 VAL 19 1HG2 VAL 19 -14.706 -9.863 -18.184 18 2HG2 VAL 19 2HG2 VAL 19 -16.267 -10.648 -18.423 19 3HG2 VAL 19 3HG2 VAL 19 -14.933 -10.981 -19.528 20 H VAL 20 H VAL 20 -11.797 -10.684 -15.196 21 HA VAL 20 HA VAL 20 -13.339 -8.296 -14.578 22 HB VAL 20 HB VAL 20 -14.216 -10.007 -13.032 23 1HG1 VAL 20 1HG1 VAL 20 -11.408 -10.608 -12.722 24 2HG1 VAL 20 2HG1 VAL 20 -12.820 -11.549 -12.247 25 3HG1 VAL 20 3HG1 VAL 20 -12.176 -10.319 -11.160 26 1HG2 VAL 20 1HG2 VAL 20 -12.595 -7.775 -11.829 27 2HG2 VAL 20 2HG2 VAL 20 -13.749 -8.736 -10.913 28 3HG2 VAL 20 3HG2 VAL 20 -14.300 -7.755 -12.271 29 H HIS 21 H HIS 21 -12.151 -6.693 -13.443 30 HA HIS 21 HA HIS 21 -9.466 -6.446 -14.181 31 1HB HIS 21 2HB HIS 21 -11.424 -4.819 -12.995 32 2HB HIS 21 1HB HIS 21 -10.079 -4.836 -11.860 33 HD1 HIS 21 1HD HIS 21 -8.359 -3.120 -12.302 34 HD2 HIS 21 2HD HIS 21 -10.432 -4.149 -15.753 35 HE1 HIS 21 1HE HIS 21 -7.453 -1.617 -14.103 36 HE2 HIS 21 2HE HIS 21 -8.779 -2.204 -16.165 37 H THR 22 H THR 22 -8.204 -5.468 -11.892 38 HA THR 22 HA THR 22 -7.514 -6.185 -9.686 39 HB THR 22 HB THR 22 -7.765 -8.974 -10.845 40 HG1 THR 22 1HG THR 22 -9.537 -9.157 -9.658 41 1HG2 THR 22 1HG2 THR 22 -6.016 -9.215 -9.368 42 2HG2 THR 22 2HG2 THR 22 -7.422 -9.572 -8.363 43 3HG2 THR 22 3HG2 THR 22 -6.643 -7.993 -8.261 44 H GLU 23 H GLU 23 -5.449 -5.629 -9.540 45 HA GLU 23 HA GLU 23 -3.328 -7.065 -10.694 46 1HB GLU 23 2HB GLU 23 -2.601 -5.289 -12.353 47 2HB GLU 23 1HB GLU 23 -3.971 -6.281 -12.829 48 1HG GLU 23 2HG GLU 23 -5.436 -4.559 -12.737 49 2HG GLU 23 1HG GLU 23 -4.569 -3.745 -11.435 50 H THR 24 H THR 24 -1.260 -5.574 -10.797 51 HA THR 24 HA THR 24 -1.108 -4.293 -8.199 52 HB THR 24 HB THR 24 1.305 -4.279 -8.567 53 HG1 THR 24 1HG THR 24 0.729 -5.363 -11.123 54 1HG2 THR 24 1HG2 THR 24 -0.215 -6.589 -8.361 55 2HG2 THR 24 2HG2 THR 24 1.509 -6.414 -8.031 56 3HG2 THR 24 3HG2 THR 24 0.965 -6.935 -9.625 57 H THR 25 H THR 25 -0.592 -2.153 -7.831 58 HA THR 25 HA THR 25 -0.448 -0.397 -10.188 59 HB THR 25 HB THR 25 -2.713 -0.215 -9.447 60 HG1 THR 25 1HG THR 25 -1.566 1.778 -9.832 61 1HG2 THR 25 1HG2 THR 25 -1.744 0.414 -6.678 62 2HG2 THR 25 2HG2 THR 25 -2.358 -1.164 -7.171 63 3HG2 THR 25 3HG2 THR 25 -3.411 0.250 -7.227 64 H GLU 26 H GLU 26 1.001 1.205 -10.077 65 HA GLU 26 HA GLU 26 2.602 1.420 -7.635 66 1HB GLU 26 2HB GLU 26 3.200 1.536 -10.436 67 2HB GLU 26 1HB GLU 26 3.648 3.071 -9.705 68 1HG GLU 26 2HG GLU 26 5.043 1.930 -8.091 69 2HG GLU 26 1HG GLU 26 4.546 0.365 -8.736 70 H VAL 27 H VAL 27 1.515 2.757 -6.287 71 HA VAL 27 HA VAL 27 0.539 5.303 -7.360 72 HB VAL 27 HB VAL 27 -0.225 5.069 -4.646 73 1HG1 VAL 27 1HG1 VAL 27 -2.129 4.413 -6.828 74 2HG1 VAL 27 2HG1 VAL 27 -1.334 5.985 -6.870 75 3HG1 VAL 27 3HG1 VAL 27 -2.303 5.523 -5.470 76 1HG2 VAL 27 1HG2 VAL 27 -1.512 2.974 -4.661 77 2HG2 VAL 27 2HG2 VAL 27 0.224 2.677 -4.758 78 3HG2 VAL 27 3HG2 VAL 27 -0.777 2.540 -6.204 79 H VAL 28 H VAL 28 1.437 7.176 -6.861 80 HA VAL 28 HA VAL 28 3.847 7.198 -5.271 81 HB VAL 28 HB VAL 28 3.759 8.454 -7.372 82 1HG1 VAL 28 1HG1 VAL 28 2.169 9.943 -7.924 83 2HG1 VAL 28 2HG1 VAL 28 2.107 10.631 -6.301 84 3HG1 VAL 28 3HG1 VAL 28 1.231 9.144 -6.663 85 1HG2 VAL 28 1HG2 VAL 28 4.033 10.215 -4.939 86 2HG2 VAL 28 2HG2 VAL 28 4.671 10.575 -6.543 87 3HG2 VAL 28 3HG2 VAL 28 5.291 9.196 -5.637 88 H LEU 29 H LEU 29 3.919 7.637 -3.177 89 HA LEU 29 HA LEU 29 1.711 9.167 -1.981 90 1HB LEU 29 2HB LEU 29 2.982 6.658 -1.226 91 2HB LEU 29 1HB LEU 29 2.959 7.813 0.092 92 HG LEU 29 HG LEU 29 1.018 6.319 0.152 93 1HD1 LEU 29 1HD1 LEU 29 -0.731 8.302 -0.130 94 2HD1 LEU 29 2HD1 LEU 29 0.756 9.250 -0.171 95 3HD1 LEU 29 3HD1 LEU 29 0.403 8.222 1.218 96 1HD2 LEU 29 1HD2 LEU 29 0.481 7.486 -2.569 97 2HD2 LEU 29 2HD2 LEU 29 -0.752 6.674 -1.605 98 3HD2 LEU 29 3HD2 LEU 29 0.680 5.789 -2.132 99 H THR 30 H THR 30 2.204 10.719 -0.405 100 HA THR 30 HA THR 30 5.051 11.401 -0.123 101 HB THR 30 HB THR 30 2.797 13.354 -0.627 102 HG1 THR 30 1HG THR 30 3.375 12.344 -2.528 103 1HG2 THR 30 1HG2 THR 30 4.926 14.005 0.797 104 2HG2 THR 30 2HG2 THR 30 4.215 15.103 -0.389 105 3HG2 THR 30 3HG2 THR 30 5.640 14.152 -0.809 106 H ALA 31 H ALA 31 5.673 12.262 1.843 107 HA ALA 31 HA ALA 31 3.890 11.719 4.052 108 1HB ALA 31 1HB ALA 31 6.554 11.436 3.773 109 2HB ALA 31 2HB ALA 31 5.743 11.582 5.332 110 3HB ALA 31 3HB ALA 31 6.490 12.997 4.590 111 H ASP 32 H ASP 32 3.184 13.208 5.595 112 HA ASP 32 HA ASP 32 3.209 16.005 4.681 113 1HB ASP 32 2HB ASP 32 1.122 14.290 5.914 114 2HB ASP 32 1HB ASP 32 1.153 15.979 6.415 115 HA PRO 33 HA PRO 33 5.210 17.148 8.451 116 1HB PRO 33 2HB PRO 33 4.029 19.763 8.506 117 2HB PRO 33 1HB PRO 33 5.625 19.301 7.916 118 1HG PRO 33 2HG PRO 33 3.568 20.220 6.324 119 2HG PRO 33 1HG PRO 33 4.936 19.254 5.749 120 1HD PRO 33 2HD PRO 33 2.146 18.401 6.393 121 2HD PRO 33 1HD PRO 33 3.226 17.851 5.094 122 H VAL 34 H VAL 34 1.920 16.710 8.325 123 HA VAL 34 HA VAL 34 1.357 17.726 10.995 124 HB VAL 34 HB VAL 34 -0.520 16.161 9.227 125 1HG1 VAL 34 1HG1 VAL 34 -2.139 16.656 10.708 126 2HG1 VAL 34 2HG1 VAL 34 -1.506 18.274 11.015 127 3HG1 VAL 34 3HG1 VAL 34 -0.792 16.879 11.825 128 1HG2 VAL 34 1HG2 VAL 34 -1.397 18.368 8.495 129 2HG2 VAL 34 2HG2 VAL 34 0.235 18.032 7.918 130 3HG2 VAL 34 3HG2 VAL 34 -0.012 19.134 9.274 131 H THR 35 H THR 35 1.100 14.598 9.297 132 HA THR 35 HA THR 35 1.766 13.263 11.824 133 HB THR 35 HB THR 35 -0.598 13.023 11.725 134 HG1 THR 35 1HG THR 35 -0.802 10.788 11.456 135 1HG2 THR 35 1HG2 THR 35 -1.876 12.820 9.909 136 2HG2 THR 35 2HG2 THR 35 -0.791 11.657 9.150 137 3HG2 THR 35 3HG2 THR 35 -0.447 13.383 9.043 138 H GLY 36 H GLY 36 1.344 12.877 8.315 139 1HA GLY 36 2HA GLY 36 3.703 12.115 7.443 140 2HA GLY 36 1HA GLY 36 3.261 10.665 8.332 141 H PHE 37 H PHE 37 2.232 9.128 7.244 142 HA PHE 37 HA PHE 37 1.022 9.846 4.660 143 1HB PHE 37 2HB PHE 37 2.282 7.278 5.624 144 2HB PHE 37 1HB PHE 37 1.341 7.383 4.139 145 HD1 PHE 37 1HD PHE 37 4.363 8.663 5.845 146 HD2 PHE 37 2HD PHE 37 2.293 8.202 2.156 147 HE1 PHE 37 1HE PHE 37 6.372 9.403 4.631 148 HE2 PHE 37 2HE PHE 37 4.299 8.940 0.937 149 HZ PHE 37 HZ PHE 37 6.339 9.542 2.170 150 H GLY 38 H GLY 38 0.434 8.424 7.761 151 1HA GLY 38 2HA GLY 38 -1.513 7.767 8.780 152 2HA GLY 38 1HA GLY 38 -2.367 8.565 7.471 153 H ILE 39 H ILE 39 -0.148 5.803 7.340 154 HA ILE 39 HA ILE 39 -2.381 4.030 6.706 155 HB ILE 39 HB ILE 39 -1.631 4.881 4.531 156 1HG1 ILE 39 2HG1 ILE 39 -0.631 2.388 3.862 157 2HG1 ILE 39 1HG1 ILE 39 -1.535 2.071 5.344 158 1HG2 ILE 39 1HG2 ILE 39 0.837 5.012 5.574 159 2HG2 ILE 39 2HG2 ILE 39 0.511 4.996 3.841 160 3HG2 ILE 39 3HG2 ILE 39 0.971 3.506 4.667 161 1HD1 ILE 39 1HD1 ILE 39 -2.503 2.449 2.697 162 2HD1 ILE 39 2HD1 ILE 39 -3.146 3.727 3.729 163 3HD1 ILE 39 3HD1 ILE 39 -3.397 2.035 4.160 164 H GLN 40 H GLN 40 -2.147 2.115 7.667 165 HA GLN 40 HA GLN 40 0.535 1.379 8.635 166 1HB GLN 40 2HB GLN 40 -1.986 1.622 10.007 167 2HB GLN 40 1HB GLN 40 -1.389 -0.027 10.136 168 1HG GLN 40 2HG GLN 40 -0.114 0.654 11.808 169 2HG GLN 40 1HG GLN 40 0.833 1.564 10.631 170 1HE2 GLN 40 1HE2 GLN 40 0.105 3.769 10.169 171 2HE2 GLN 40 2HE2 GLN 40 -0.593 4.698 11.455 172 H LEU 41 H LEU 41 1.139 -0.802 8.624 173 HA LEU 41 HA LEU 41 -0.458 -2.522 6.843 174 1HB LEU 41 2HB LEU 41 2.511 -2.800 7.116 175 2HB LEU 41 1HB LEU 41 1.470 -3.327 5.808 176 HG LEU 41 HG LEU 41 1.443 -0.434 6.095 177 1HD1 LEU 41 1HD1 LEU 41 3.942 -1.587 6.597 178 2HD1 LEU 41 2HD1 LEU 41 3.592 0.096 6.207 179 3HD1 LEU 41 3HD1 LEU 41 3.994 -1.041 4.921 180 1HD2 LEU 41 1HD2 LEU 41 2.498 -1.893 3.725 181 2HD2 LEU 41 2HD2 LEU 41 1.443 -0.483 3.807 182 3HD2 LEU 41 3HD2 LEU 41 0.798 -2.087 4.158 183 H GLN 42 H GLN 42 -0.135 -4.863 7.195 184 HA GLN 42 HA GLN 42 1.036 -5.749 9.659 185 1HB GLN 42 2HB GLN 42 -1.302 -4.694 10.178 186 2HB GLN 42 1HB GLN 42 -1.922 -6.197 9.506 187 1HG GLN 42 2HG GLN 42 0.122 -6.855 11.351 188 2HG GLN 42 1HG GLN 42 -0.945 -5.681 12.120 189 1HE2 GLN 42 1HE2 GLN 42 -0.553 -8.902 11.070 190 2HE2 GLN 42 2HE2 GLN 42 -2.113 -9.492 11.543 191 H GLY 43 H GLY 43 0.870 -8.075 9.953 192 1HA GLY 43 2HA GLY 43 0.721 -9.421 7.363 193 2HA GLY 43 1HA GLY 43 1.472 -10.055 8.818 194 H SER 44 H SER 44 -1.539 -9.580 7.108 195 HA SER 44 HA SER 44 -2.660 -11.923 8.314 196 1HB SER 44 2HB SER 44 -3.299 -10.543 10.120 197 2HB SER 44 1HB SER 44 -3.710 -9.198 9.058 198 HG SER 44 HG SER 44 -5.532 -10.269 8.413 199 H VAL 45 H VAL 45 -3.428 -12.886 6.558 200 HA VAL 45 HA VAL 45 -4.768 -11.252 4.520 201 HB VAL 45 HB VAL 45 -3.626 -14.030 4.216 202 1HG1 VAL 45 1HG1 VAL 45 -5.080 -13.999 2.483 203 2HG1 VAL 45 2HG1 VAL 45 -3.801 -13.059 1.718 204 3HG1 VAL 45 3HG1 VAL 45 -5.177 -12.239 2.453 205 1HG2 VAL 45 1HG2 VAL 45 -2.459 -11.576 2.965 206 2HG2 VAL 45 2HG2 VAL 45 -1.701 -13.133 3.297 207 3HG2 VAL 45 3HG2 VAL 45 -2.036 -12.015 4.620 208 H PHE 46 H PHE 46 -5.284 -13.644 6.883 209 HA PHE 46 HA PHE 46 -7.950 -14.205 5.778 210 1HB PHE 46 2HB PHE 46 -5.925 -16.010 6.608 211 2HB PHE 46 1HB PHE 46 -7.243 -16.130 7.770 212 HD1 PHE 46 1HD PHE 46 -5.998 -17.683 5.057 213 HD2 PHE 46 2HD PHE 46 -9.649 -15.917 6.347 214 HE1 PHE 46 1HE PHE 46 -7.239 -19.113 3.487 215 HE2 PHE 46 2HE PHE 46 -10.898 -17.347 4.779 216 HZ PHE 46 HZ PHE 46 -9.692 -18.946 3.347 217 H ALA 47 H ALA 47 -6.127 -13.151 8.495 218 HA ALA 47 HA ALA 47 -6.682 -12.430 10.589 219 1HB ALA 47 1HB ALA 47 -9.234 -11.447 9.356 220 2HB ALA 47 2HB ALA 47 -7.673 -10.729 8.956 221 3HB ALA 47 3HB ALA 47 -8.256 -10.699 10.620 222 H THR 48 H THR 48 -7.313 -15.101 10.280 223 HA THR 48 HA THR 48 -9.940 -15.486 11.408 224 HB THR 48 HB THR 48 -7.862 -17.523 10.633 225 HG1 THR 48 1HG THR 48 -8.871 -16.201 8.926 226 1HG2 THR 48 1HG2 THR 48 -9.156 -19.117 11.437 227 2HG2 THR 48 2HG2 THR 48 -10.548 -18.488 10.555 228 3HG2 THR 48 3HG2 THR 48 -10.177 -17.878 12.167 229 H GLU 49 H GLU 49 -6.749 -16.742 12.148 230 HA GLU 49 HA GLU 49 -7.024 -16.031 14.942 231 1HB GLU 49 2HB GLU 49 -7.187 -18.833 13.943 232 2HB GLU 49 1HB GLU 49 -6.286 -18.544 15.424 233 1HG GLU 49 2HG GLU 49 -8.139 -18.279 16.619 234 2HG GLU 49 1HG GLU 49 -8.858 -17.204 15.421 235 H THR 50 H THR 50 -5.004 -18.543 13.474 236 HA THR 50 HA THR 50 -2.636 -17.449 14.547 237 HB THR 50 HB THR 50 -2.923 -19.855 14.122 238 HG1 THR 50 1HG THR 50 -0.817 -18.849 12.522 239 1HG2 THR 50 1HG2 THR 50 -2.262 -19.732 11.290 240 2HG2 THR 50 2HG2 THR 50 -3.891 -19.170 11.665 241 3HG2 THR 50 3HG2 THR 50 -3.381 -20.785 12.155 242 H LEU 51 H LEU 51 -0.689 -16.961 13.158 243 HA LEU 51 HA LEU 51 -1.495 -15.366 10.813 244 1HB LEU 51 2HB LEU 51 -0.659 -14.204 12.999 245 2HB LEU 51 1HB LEU 51 0.926 -14.717 12.450 246 HG LEU 51 HG LEU 51 -0.970 -12.837 11.050 247 1HD1 LEU 51 1HD1 LEU 51 0.388 -11.160 11.700 248 2HD1 LEU 51 2HD1 LEU 51 1.844 -12.149 11.588 249 3HD1 LEU 51 3HD1 LEU 51 0.795 -12.282 12.999 250 1HD2 LEU 51 1HD2 LEU 51 -0.087 -14.012 9.253 251 2HD2 LEU 51 2HD2 LEU 51 1.466 -14.261 10.049 252 3HD2 LEU 51 3HD2 LEU 51 1.037 -12.666 9.433 253 H SER 52 H SER 52 -0.673 -16.065 8.960 254 HA SER 52 HA SER 52 2.063 -16.863 8.716 255 1HB SER 52 2HB SER 52 0.060 -18.879 9.189 256 2HB SER 52 1HB SER 52 0.810 -19.110 7.611 257 HG SER 52 HG SER 52 1.858 -19.459 10.117 258 H SER 53 H SER 53 -0.008 -15.060 7.558 259 HA SER 53 HA SER 53 0.217 -15.870 4.738 260 1HB SER 53 2HB SER 53 -1.706 -13.759 5.639 261 2HB SER 53 1HB SER 53 -1.818 -14.864 4.268 262 HG SER 53 HG SER 53 -2.877 -16.176 5.504 263 HA PRO 54 HA PRO 54 2.938 -12.574 3.703 264 1HB PRO 54 2HB PRO 54 0.956 -11.848 1.594 265 2HB PRO 54 1HB PRO 54 2.694 -12.141 1.452 266 1HG PRO 54 2HG PRO 54 0.944 -13.975 0.644 267 2HG PRO 54 1HG PRO 54 2.439 -14.449 1.473 268 1HD PRO 54 2HD PRO 54 -0.356 -14.362 2.508 269 2HD PRO 54 1HD PRO 54 0.954 -15.497 2.886 270 HA PRO 55 HA PRO 55 1.211 -8.923 5.528 271 1HB PRO 55 2HB PRO 55 3.140 -7.143 4.987 272 2HB PRO 55 1HB PRO 55 3.411 -8.492 6.097 273 1HG PRO 55 2HG PRO 55 4.219 -8.207 3.230 274 2HG PRO 55 1HG PRO 55 5.145 -8.857 4.595 275 1HD PRO 55 2HD PRO 55 3.822 -10.409 2.756 276 2HD PRO 55 1HD PRO 55 4.182 -10.926 4.415 277 H LEU 56 H LEU 56 0.212 -6.936 5.051 278 HA LEU 56 HA LEU 56 0.309 -5.807 2.415 279 1HB LEU 56 2HB LEU 56 -2.238 -6.081 2.151 280 2HB LEU 56 1HB LEU 56 -1.200 -7.426 1.724 281 HG LEU 56 HG LEU 56 -3.306 -8.002 2.996 282 1HD1 LEU 56 1HD1 LEU 56 -0.962 -8.910 4.588 283 2HD1 LEU 56 2HD1 LEU 56 -1.027 -9.296 2.869 284 3HD1 LEU 56 3HD1 LEU 56 -2.319 -9.834 3.942 285 1HD2 LEU 56 1HD2 LEU 56 -1.798 -6.976 5.387 286 2HD2 LEU 56 2HD2 LEU 56 -3.447 -7.598 5.320 287 3HD2 LEU 56 3HD2 LEU 56 -3.058 -6.046 4.577 288 H ILE 57 H ILE 57 -1.718 -4.164 2.283 289 HA ILE 57 HA ILE 57 -1.378 -2.457 4.609 290 HB ILE 57 HB ILE 57 -2.884 -1.930 2.042 291 1HG1 ILE 57 2HG1 ILE 57 -0.222 -0.743 2.749 292 2HG1 ILE 57 1HG1 ILE 57 -0.304 -2.342 2.016 293 1HG2 ILE 57 1HG2 ILE 57 -2.021 -0.084 4.264 294 2HG2 ILE 57 2HG2 ILE 57 -3.674 -0.510 3.821 295 3HG2 ILE 57 3HG2 ILE 57 -2.684 0.443 2.716 296 1HD1 ILE 57 1HD1 ILE 57 -1.639 0.041 0.786 297 2HD1 ILE 57 2HD1 ILE 57 -1.236 -1.507 0.039 298 3HD1 ILE 57 3HD1 ILE 57 0.046 -0.372 0.466 299 H SER 58 H SER 58 -2.996 -1.831 6.011 300 HA SER 58 HA SER 58 -5.743 -2.512 5.541 301 1HB SER 58 2HB SER 58 -4.049 -4.199 7.334 302 2HB SER 58 1HB SER 58 -5.725 -3.897 7.789 303 HG SER 58 HG SER 58 -5.946 -5.612 6.528 304 H TYR 59 H TYR 59 -4.728 -0.055 5.978 305 HA TYR 59 HA TYR 59 -6.227 0.884 8.144 306 1HB TYR 59 2HB TYR 59 -4.454 -0.109 9.521 307 2HB TYR 59 1HB TYR 59 -3.249 0.846 8.667 308 HD1 TYR 59 1HD TYR 59 -3.401 3.388 8.838 309 HD2 TYR 59 2HD TYR 59 -5.566 0.763 11.394 310 HE1 TYR 59 1HE TYR 59 -3.710 5.220 10.448 311 HE2 TYR 59 2HE TYR 59 -5.881 2.590 13.011 312 HH TYR 59 HH TYR 59 -5.798 5.513 12.525 313 H ILE 60 H ILE 60 -6.678 2.959 7.852 314 HA ILE 60 HA ILE 60 -4.802 4.768 6.590 315 HB ILE 60 HB ILE 60 -7.445 4.913 5.294 316 1HG1 ILE 60 2HG1 ILE 60 -5.502 2.729 4.501 317 2HG1 ILE 60 1HG1 ILE 60 -7.028 2.449 5.337 318 1HG2 ILE 60 1HG2 ILE 60 -5.281 6.275 4.896 319 2HG2 ILE 60 2HG2 ILE 60 -6.228 5.753 3.504 320 3HG2 ILE 60 3HG2 ILE 60 -4.767 4.873 3.956 321 1HD1 ILE 60 1HD1 ILE 60 -6.895 3.845 2.687 322 2HD1 ILE 60 2HD1 ILE 60 -8.288 3.101 3.473 323 3HD1 ILE 60 3HD1 ILE 60 -6.992 2.090 2.831 324 H GLU 61 H GLU 61 -5.416 7.007 6.851 325 HA GLU 61 HA GLU 61 -7.273 7.342 9.093 326 1HB GLU 61 2HB GLU 61 -4.738 8.273 8.757 327 2HB GLU 61 1HB GLU 61 -5.676 9.656 8.212 328 1HG GLU 61 2HG GLU 61 -5.742 10.228 10.361 329 2HG GLU 61 1HG GLU 61 -6.966 8.969 10.516 330 H ALA 62 H ALA 62 -8.745 9.096 9.156 331 HA ALA 62 HA ALA 62 -10.011 9.549 6.590 332 1HB ALA 62 1HB ALA 62 -11.607 9.041 8.170 333 2HB ALA 62 2HB ALA 62 -11.670 10.803 8.169 334 3HB ALA 62 3HB ALA 62 -10.792 9.952 9.440 335 H ASP 63 H ASP 63 -7.563 10.776 6.715 336 HA ASP 63 HA ASP 63 -7.993 13.297 5.763 337 1HB ASP 63 2HB ASP 63 -8.300 13.300 8.581 338 2HB ASP 63 1HB ASP 63 -6.776 14.111 8.234 339 H SER 64 H SER 64 -6.275 10.959 5.502 340 HA SER 64 HA SER 64 -3.657 12.293 5.693 341 1HB SER 64 2HB SER 64 -4.444 9.466 6.293 342 2HB SER 64 1HB SER 64 -2.817 9.806 5.705 343 HG SER 64 HG SER 64 -3.617 9.977 8.157 344 HA PRO 65 HA PRO 65 -3.141 12.157 1.326 345 1HB PRO 65 2HB PRO 65 -0.584 10.910 1.366 346 2HB PRO 65 1HB PRO 65 -0.936 12.634 1.238 347 1HG PRO 65 2HG PRO 65 -0.194 11.026 3.617 348 2HG PRO 65 1HG PRO 65 0.125 12.734 3.267 349 1HD PRO 65 2HD PRO 65 -1.722 11.998 5.062 350 2HD PRO 65 1HD PRO 65 -1.978 13.400 4.000 351 H ALA 66 H ALA 66 -2.254 9.251 3.156 352 HA ALA 66 HA ALA 66 -2.273 7.418 1.045 353 1HB ALA 66 1HB ALA 66 -1.384 6.810 3.197 354 2HB ALA 66 2HB ALA 66 -2.700 5.709 2.791 355 3HB ALA 66 3HB ALA 66 -2.966 7.010 3.953 356 H GLU 67 H GLU 67 -4.888 8.675 3.040 357 HA GLU 67 HA GLU 67 -6.887 6.952 1.902 358 1HB GLU 67 2HB GLU 67 -6.691 8.703 4.116 359 2HB GLU 67 1HB GLU 67 -8.003 9.304 3.114 360 1HG GLU 67 2HG GLU 67 -7.742 6.652 4.469 361 2HG GLU 67 1HG GLU 67 -9.013 7.860 4.631 362 H ARG 68 H ARG 68 -6.171 10.425 1.701 363 HA ARG 68 HA ARG 68 -8.128 10.996 -0.251 364 1HB ARG 68 2HB ARG 68 -5.632 12.484 0.568 365 2HB ARG 68 1HB ARG 68 -6.839 13.129 -0.535 366 1HG ARG 68 2HG ARG 68 -7.610 14.048 1.380 367 2HG ARG 68 1HG ARG 68 -8.453 12.502 1.481 368 1HD ARG 68 2HD ARG 68 -5.773 12.400 2.610 369 2HD ARG 68 1HD ARG 68 -6.798 13.594 3.403 370 HE ARG 68 HE ARG 68 -6.931 10.820 3.772 371 1HH1 ARG 68 1HH1 ARG 68 -9.068 13.537 3.226 372 2HH1 ARG 68 2HH1 ARG 68 -10.412 12.800 4.028 373 1HH2 ARG 68 1HH2 ARG 68 -8.707 9.863 4.841 374 2HH2 ARG 68 2HH2 ARG 68 -10.208 10.719 4.943 375 H CYS 69 H CYS 69 -5.190 9.352 -0.543 376 HA CYS 69 HA CYS 69 -4.200 10.202 -3.002 377 1HB CYS 69 2HB CYS 69 -3.551 8.225 -1.204 378 2HB CYS 69 1HB CYS 69 -4.081 7.297 -2.603 379 HG CYS 69 HG CYS 69 -2.110 9.323 -3.534 380 H GLY 70 H GLY 70 -7.042 8.374 -2.244 381 1HA GLY 70 2HA GLY 70 -8.783 7.688 -3.579 382 2HA GLY 70 1HA GLY 70 -8.048 8.601 -4.890 383 H VAL 71 H VAL 71 -6.366 6.071 -3.168 384 HA VAL 71 HA VAL 71 -6.845 4.159 -5.322 385 HB VAL 71 HB VAL 71 -4.015 4.769 -4.503 386 1HG1 VAL 71 1HG1 VAL 71 -3.747 2.836 -5.597 387 2HG1 VAL 71 2HG1 VAL 71 -4.006 3.790 -7.058 388 3HG1 VAL 71 3HG1 VAL 71 -5.353 2.918 -6.325 389 1HG2 VAL 71 1HG2 VAL 71 -3.939 5.895 -6.830 390 2HG2 VAL 71 2HG2 VAL 71 -4.577 6.810 -5.462 391 3HG2 VAL 71 3HG2 VAL 71 -5.682 6.073 -6.622 392 H LEU 72 H LEU 72 -4.868 4.724 -2.409 393 HA LEU 72 HA LEU 72 -4.605 2.042 -1.663 394 1HB LEU 72 2HB LEU 72 -4.537 4.590 -0.064 395 2HB LEU 72 1HB LEU 72 -4.237 3.022 0.662 396 HG LEU 72 HG LEU 72 -2.628 3.989 -1.684 397 1HD1 LEU 72 1HD1 LEU 72 -2.350 5.717 -0.069 398 2HD1 LEU 72 2HD1 LEU 72 -0.923 4.684 0.010 399 3HD1 LEU 72 3HD1 LEU 72 -2.180 4.548 1.240 400 1HD2 LEU 72 1HD2 LEU 72 -1.302 2.203 -1.302 401 2HD2 LEU 72 2HD2 LEU 72 -2.761 1.551 -0.556 402 3HD2 LEU 72 3HD2 LEU 72 -1.511 2.285 0.447 403 H GLN 73 H GLN 73 -5.718 0.734 -0.225 404 HA GLN 73 HA GLN 73 -8.095 1.633 1.108 405 1HB GLN 73 2HB GLN 73 -8.285 -0.107 -1.343 406 2HB GLN 73 1HB GLN 73 -9.530 -0.113 -0.102 407 1HG GLN 73 2HG GLN 73 -9.642 2.411 -0.451 408 2HG GLN 73 1HG GLN 73 -8.715 2.121 -1.922 409 1HE2 GLN 73 1HE2 GLN 73 -9.639 0.494 -3.420 410 2HE2 GLN 73 2HE2 GLN 73 -11.362 0.456 -3.607 411 H ILE 74 H ILE 74 -9.219 -0.253 2.201 412 HA ILE 74 HA ILE 74 -7.268 -1.796 3.581 413 HB ILE 74 HB ILE 74 -10.261 -2.191 3.631 414 1HG1 ILE 74 2HG1 ILE 74 -9.627 0.163 4.097 415 2HG1 ILE 74 1HG1 ILE 74 -10.321 -0.641 5.501 416 1HG2 ILE 74 1HG2 ILE 74 -7.988 -3.120 5.321 417 2HG2 ILE 74 2HG2 ILE 74 -9.400 -4.006 4.747 418 3HG2 ILE 74 3HG2 ILE 74 -9.565 -2.845 6.064 419 1HD1 ILE 74 1HD1 ILE 74 -8.170 0.850 5.690 420 2HD1 ILE 74 2HD1 ILE 74 -7.370 -0.644 5.199 421 3HD1 ILE 74 3HD1 ILE 74 -8.360 -0.613 6.656 422 H GLY 75 H GLY 75 -6.452 -2.722 1.448 423 1HA GLY 75 2HA GLY 75 -6.787 -5.431 1.333 424 2HA GLY 75 1HA GLY 75 -8.006 -4.810 0.230 425 H ASP 76 H ASP 76 -4.793 -3.465 0.818 426 HA ASP 76 HA ASP 76 -4.159 -3.978 -2.010 427 1HB ASP 76 2HB ASP 76 -3.498 -1.732 -0.145 428 2HB ASP 76 1HB ASP 76 -2.387 -2.105 -1.459 429 H ARG 77 H ARG 77 -2.950 -5.762 -2.158 430 HA ARG 77 HA ARG 77 -1.138 -6.532 -0.050 431 1HB ARG 77 2HB ARG 77 -2.299 -7.774 -2.435 432 2HB ARG 77 1HB ARG 77 -0.624 -8.229 -2.156 433 1HG ARG 77 2HG ARG 77 -1.173 -8.994 0.075 434 2HG ARG 77 1HG ARG 77 -2.843 -8.467 -0.136 435 1HD ARG 77 2HD ARG 77 -3.139 -10.633 -0.716 436 2HD ARG 77 1HD ARG 77 -2.607 -10.040 -2.289 437 HE ARG 77 HE ARG 77 -0.291 -10.743 -1.089 438 1HH1 ARG 77 1HH1 ARG 77 -3.311 -12.419 -1.594 439 2HH1 ARG 77 2HH1 ARG 77 -2.573 -13.984 -1.667 440 1HH2 ARG 77 1HH2 ARG 77 0.680 -12.801 -1.186 441 2HH2 ARG 77 2HH2 ARG 77 -0.308 -14.201 -1.434 442 H VAL 78 H VAL 78 0.508 -5.037 0.043 443 HA VAL 78 HA VAL 78 1.894 -3.947 -2.127 444 HB VAL 78 HB VAL 78 3.722 -3.482 -0.519 445 1HG1 VAL 78 1HG1 VAL 78 0.887 -2.883 0.265 446 2HG1 VAL 78 2HG1 VAL 78 2.049 -1.843 -0.560 447 3HG1 VAL 78 3HG1 VAL 78 2.259 -2.217 1.151 448 1HG2 VAL 78 1HG2 VAL 78 3.952 -5.179 0.977 449 2HG2 VAL 78 2HG2 VAL 78 2.216 -5.470 1.081 450 3HG2 VAL 78 3HG2 VAL 78 2.935 -4.110 1.943 451 H MET 79 H MET 79 3.249 -4.836 -3.553 452 HA MET 79 HA MET 79 4.577 -7.361 -2.820 453 1HB MET 79 2HB MET 79 2.736 -7.074 -4.786 454 2HB MET 79 1HB MET 79 4.214 -6.766 -5.687 455 1HG MET 79 2HG MET 79 4.987 -8.964 -4.413 456 2HG MET 79 1HG MET 79 3.248 -9.254 -4.412 457 1HE MET 79 1HE MET 79 6.153 -9.486 -7.886 458 2HE MET 79 2HE MET 79 6.488 -9.259 -6.170 459 3HE MET 79 3HE MET 79 5.981 -7.890 -7.159 460 H ALA 80 H ALA 80 5.043 -4.127 -3.826 461 HA ALA 80 HA ALA 80 7.879 -4.407 -3.727 462 1HB ALA 80 1HB ALA 80 6.793 -3.640 -6.425 463 2HB ALA 80 2HB ALA 80 7.315 -5.276 -6.023 464 3HB ALA 80 3HB ALA 80 8.470 -3.945 -5.972 465 H ILE 81 H ILE 81 7.948 -2.736 -2.307 466 HA ILE 81 HA ILE 81 6.830 -0.152 -3.153 467 HB ILE 81 HB ILE 81 7.916 -0.869 -0.432 468 1HG1 ILE 81 2HG1 ILE 81 5.329 -0.777 0.070 469 2HG1 ILE 81 1HG1 ILE 81 5.198 -1.210 -1.635 470 1HG2 ILE 81 1HG2 ILE 81 5.919 1.272 -0.846 471 2HG2 ILE 81 2HG2 ILE 81 7.556 1.582 -1.423 472 3HG2 ILE 81 3HG2 ILE 81 7.279 1.188 0.274 473 1HD1 ILE 81 1HD1 ILE 81 7.122 -2.895 -0.377 474 2HD1 ILE 81 2HD1 ILE 81 5.602 -3.324 -1.159 475 3HD1 ILE 81 3HD1 ILE 81 5.625 -2.906 0.554 476 H ASN 82 H ASN 82 8.219 1.108 -4.195 477 HA ASN 82 HA ASN 82 10.171 2.008 -4.957 478 1HB ASN 82 2HB ASN 82 11.482 3.145 -3.269 479 2HB ASN 82 1HB ASN 82 9.777 3.256 -2.846 480 1HD2 ASN 82 1HD2 ASN 82 12.814 1.688 -2.110 481 2HD2 ASN 82 2HD2 ASN 82 12.388 1.193 -0.504 482 H GLY 83 H GLY 83 10.153 -0.905 -4.732 483 1HA GLY 83 2HA GLY 83 12.002 -2.191 -5.641 484 2HA GLY 83 1HA GLY 83 13.071 -1.306 -4.565 485 H ILE 84 H ILE 84 11.673 -1.493 -2.174 486 HA ILE 84 HA ILE 84 12.290 -4.207 -1.437 487 HB ILE 84 HB ILE 84 11.079 -2.087 0.323 488 1HG1 ILE 84 2HG1 ILE 84 13.212 -1.404 -0.948 489 2HG1 ILE 84 1HG1 ILE 84 13.210 -1.219 0.801 490 1HG2 ILE 84 1HG2 ILE 84 12.571 -3.425 1.993 491 2HG2 ILE 84 2HG2 ILE 84 12.449 -4.695 0.777 492 3HG2 ILE 84 3HG2 ILE 84 10.990 -4.046 1.522 493 1HD1 ILE 84 1HD1 ILE 84 14.194 -3.817 0.007 494 2HD1 ILE 84 2HD1 ILE 84 14.946 -2.584 1.020 495 3HD1 ILE 84 3HD1 ILE 84 15.113 -2.507 -0.734 496 HA PRO 85 HA PRO 85 7.964 -5.359 -2.002 497 1HB PRO 85 2HB PRO 85 8.310 -8.012 -1.961 498 2HB PRO 85 1HB PRO 85 8.805 -7.039 -3.351 499 1HG PRO 85 2HG PRO 85 10.472 -8.147 -1.125 500 2HG PRO 85 1HG PRO 85 10.819 -8.092 -2.863 501 1HD PRO 85 2HD PRO 85 11.819 -6.302 -1.033 502 2HD PRO 85 1HD PRO 85 11.600 -5.944 -2.757 503 H THR 86 H THR 86 9.872 -5.495 0.719 504 HA THR 86 HA THR 86 9.476 -5.870 2.925 505 HB THR 86 HB THR 86 7.357 -5.363 3.756 506 HG1 THR 86 1HG THR 86 5.798 -6.565 3.075 507 1HG2 THR 86 1HG2 THR 86 7.984 -3.445 2.519 508 2HG2 THR 86 2HG2 THR 86 6.272 -3.729 2.205 509 3HG2 THR 86 3HG2 THR 86 7.477 -4.181 1.000 510 H GLU 87 H GLU 87 9.629 -8.149 0.942 511 HA GLU 87 HA GLU 87 9.503 -10.420 0.935 512 1HB GLU 87 2HB GLU 87 10.471 -9.739 3.334 513 2HB GLU 87 1HB GLU 87 8.990 -10.527 3.861 514 1HG GLU 87 2HG GLU 87 9.866 -12.532 3.540 515 2HG GLU 87 1HG GLU 87 10.319 -12.130 1.885 516 H ASP 88 H ASP 88 8.118 -12.346 2.025 517 HA ASP 88 HA ASP 88 5.308 -11.523 1.713 518 1HB ASP 88 2HB ASP 88 4.906 -13.898 1.037 519 2HB ASP 88 1HB ASP 88 5.971 -13.020 -0.054 520 H SER 89 H SER 89 6.858 -11.473 4.204 521 HA SER 89 HA SER 89 4.945 -12.541 5.949 522 1HB SER 89 2HB SER 89 6.728 -14.221 6.999 523 2HB SER 89 1HB SER 89 5.603 -14.733 5.739 524 HG SER 89 HG SER 89 8.122 -15.002 5.604 525 H THR 90 H THR 90 6.358 -10.124 5.594 526 HA THR 90 HA THR 90 7.336 -9.755 8.290 527 HB THR 90 HB THR 90 9.115 -9.111 5.931 528 HG1 THR 90 1HG THR 90 10.455 -10.715 6.825 529 1HG2 THR 90 1HG2 THR 90 9.201 -8.324 8.754 530 2HG2 THR 90 2HG2 THR 90 9.937 -7.576 7.337 531 3HG2 THR 90 3HG2 THR 90 10.707 -8.967 8.100 532 H PHE 91 H PHE 91 5.287 -8.557 8.160 533 HA PHE 91 HA PHE 91 4.890 -6.339 6.494 534 1HB PHE 91 2HB PHE 91 3.180 -5.652 8.103 535 2HB PHE 91 1HB PHE 91 3.091 -7.386 7.804 536 HD1 PHE 91 1HD PHE 91 3.874 -8.977 9.513 537 HD2 PHE 91 2HD PHE 91 3.706 -4.789 10.253 538 HE1 PHE 91 1HE PHE 91 4.028 -9.402 11.931 539 HE2 PHE 91 2HE PHE 91 3.860 -5.206 12.673 540 HZ PHE 91 HZ PHE 91 4.021 -7.515 13.514 541 H GLU 92 H GLU 92 6.813 -6.740 9.351 542 HA GLU 92 HA GLU 92 7.014 -4.118 10.261 543 1HB GLU 92 2HB GLU 92 9.216 -6.188 10.229 544 2HB GLU 92 1HB GLU 92 9.114 -4.787 11.288 545 1HG GLU 92 2HG GLU 92 6.827 -6.647 11.355 546 2HG GLU 92 1HG GLU 92 8.350 -7.246 12.008 547 H GLU 93 H GLU 93 8.637 -5.727 7.589 548 HA GLU 93 HA GLU 93 10.583 -3.754 7.085 549 1HB GLU 93 2HB GLU 93 9.429 -6.049 5.605 550 2HB GLU 93 1HB GLU 93 10.219 -4.811 4.636 551 1HG GLU 93 2HG GLU 93 12.251 -5.073 5.989 552 2HG GLU 93 1HG GLU 93 11.454 -6.347 6.911 553 H ALA 94 H ALA 94 7.326 -4.261 5.769 554 HA ALA 94 HA ALA 94 7.316 -2.183 3.910 555 1HB ALA 94 1HB ALA 94 5.596 -4.026 4.220 556 2HB ALA 94 2HB ALA 94 4.974 -2.423 3.824 557 3HB ALA 94 3HB ALA 94 4.896 -3.015 5.484 558 H ASN 95 H ASN 95 6.249 -2.169 7.307 559 HA ASN 95 HA ASN 95 5.458 0.519 7.404 560 1HB ASN 95 2HB ASN 95 6.234 -1.529 9.430 561 2HB ASN 95 1HB ASN 95 6.159 0.153 9.946 562 1HD2 ASN 95 1HD2 ASN 95 4.453 -2.606 9.802 563 2HD2 ASN 95 2HD2 ASN 95 2.841 -1.968 9.768 564 H GLN 96 H GLN 96 8.598 -1.001 7.767 565 HA GLN 96 HA GLN 96 10.000 1.177 8.818 566 1HB GLN 96 2HB GLN 96 10.934 -1.055 8.847 567 2HB GLN 96 1HB GLN 96 10.935 -1.115 7.090 568 1HG GLN 96 2HG GLN 96 13.017 -0.389 7.144 569 2HG GLN 96 1HG GLN 96 12.402 1.158 7.725 570 1HE2 GLN 96 1HE2 GLN 96 12.267 1.473 10.025 571 2HE2 GLN 96 2HE2 GLN 96 13.378 0.650 11.072 572 H LEU 97 H LEU 97 9.306 0.191 5.500 573 HA LEU 97 HA LEU 97 10.872 2.225 4.269 574 1HB LEU 97 2HB LEU 97 8.485 0.872 3.031 575 2HB LEU 97 1HB LEU 97 9.887 1.544 2.221 576 HG LEU 97 HG LEU 97 10.288 -0.735 4.102 577 1HD1 LEU 97 1HD1 LEU 97 9.648 -2.370 2.575 578 2HD1 LEU 97 2HD1 LEU 97 9.549 -1.220 1.242 579 3HD1 LEU 97 3HD1 LEU 97 8.329 -1.201 2.516 580 1HD2 LEU 97 1HD2 LEU 97 11.589 0.184 1.546 581 2HD2 LEU 97 2HD2 LEU 97 12.031 -1.284 2.418 582 3HD2 LEU 97 3HD2 LEU 97 12.246 0.294 3.179 583 H LEU 98 H LEU 98 7.615 2.026 5.483 584 HA LEU 98 HA LEU 98 6.518 4.268 4.184 585 1HB LEU 98 2HB LEU 98 5.827 2.563 6.475 586 2HB LEU 98 1HB LEU 98 5.166 4.187 6.535 587 HG LEU 98 HG LEU 98 3.638 2.531 5.512 588 1HD1 LEU 98 1HD1 LEU 98 3.232 3.890 3.396 589 2HD1 LEU 98 2HD1 LEU 98 4.616 4.859 3.901 590 3HD1 LEU 98 3HD1 LEU 98 3.191 4.751 4.934 591 1HD2 LEU 98 1HD2 LEU 98 5.064 1.032 4.397 592 2HD2 LEU 98 2HD2 LEU 98 5.858 2.331 3.505 593 3HD2 LEU 98 3HD2 LEU 98 4.194 1.887 3.123 594 H ARG 99 H ARG 99 8.105 3.915 7.340 595 HA ARG 99 HA ARG 99 7.876 6.684 8.005 596 1HB ARG 99 2HB ARG 99 9.605 4.495 9.167 597 2HB ARG 99 1HB ARG 99 9.449 6.107 9.851 598 1HG ARG 99 2HG ARG 99 7.193 5.757 10.425 599 2HG ARG 99 1HG ARG 99 7.085 4.307 9.423 600 1HD ARG 99 2HD ARG 99 8.443 3.066 10.911 601 2HD ARG 99 1HD ARG 99 8.940 4.517 11.781 602 HE ARG 99 HE ARG 99 7.052 4.344 13.048 603 1HH1 ARG 99 1HH1 ARG 99 6.608 2.456 10.149 604 2HH1 ARG 99 2HH1 ARG 99 5.097 1.787 10.665 605 1HH2 ARG 99 1HH2 ARG 99 5.065 3.464 13.732 606 2HH2 ARG 99 2HH2 ARG 99 4.220 2.359 12.700 607 H ASP 100 H ASP 100 10.238 4.725 6.350 608 HA ASP 100 HA ASP 100 12.360 6.637 6.503 609 1HB ASP 100 2HB ASP 100 12.292 4.002 5.921 610 2HB ASP 100 1HB ASP 100 12.365 4.668 4.292 611 H SER 101 H SER 101 9.495 6.676 4.818 612 HA SER 101 HA SER 101 10.301 7.638 2.289 613 1HB SER 101 2HB SER 101 7.716 8.079 3.797 614 2HB SER 101 1HB SER 101 7.966 8.427 2.088 615 HG SER 101 HG SER 101 7.821 5.951 3.402 616 H SER 102 H SER 102 10.136 9.124 5.394 617 HA SER 102 HA SER 102 9.727 11.798 4.706 618 1HB SER 102 2HB SER 102 10.968 10.366 6.998 619 2HB SER 102 1HB SER 102 11.350 12.080 6.824 620 HG SER 102 HG SER 102 9.432 12.521 7.532 621 H ILE 103 H ILE 103 12.521 9.763 4.351 622 HA ILE 103 HA ILE 103 14.554 11.643 4.186 623 HB ILE 103 HB ILE 103 14.293 9.091 2.617 624 1HG1 ILE 103 2HG1 ILE 103 14.022 8.848 5.071 625 2HG1 ILE 103 1HG1 ILE 103 15.477 8.082 4.465 626 1HG2 ILE 103 1HG2 ILE 103 16.086 10.130 1.614 627 2HG2 ILE 103 2HG2 ILE 103 16.888 9.281 2.936 628 3HG2 ILE 103 3HG2 ILE 103 16.537 11.004 3.077 629 1HD1 ILE 103 1HD1 ILE 103 15.279 10.678 5.944 630 2HD1 ILE 103 2HD1 ILE 103 16.757 10.087 5.185 631 3HD1 ILE 103 3HD1 ILE 103 16.015 9.176 6.501 632 H THR 104 H THR 104 12.493 10.352 1.585 633 HA THR 104 HA THR 104 13.496 12.441 -0.207 634 HB THR 104 HB THR 104 13.645 10.331 -1.251 635 HG1 THR 104 1HG THR 104 12.676 10.950 -2.994 636 1HG2 THR 104 1HG2 THR 104 10.998 9.798 -0.017 637 2HG2 THR 104 2HG2 THR 104 12.430 8.771 -0.118 638 3HG2 THR 104 3HG2 THR 104 11.408 9.005 -1.537 639 H SER 105 H SER 105 10.842 11.694 1.744 640 HA SER 105 HA SER 105 8.964 12.901 2.219 641 1HB SER 105 2HB SER 105 9.227 14.696 -0.143 642 2HB SER 105 1HB SER 105 8.736 15.071 1.508 643 HG SER 105 HG SER 105 10.989 14.695 2.079 644 H LYS 106 H LYS 106 9.530 11.151 -0.537 645 HA LYS 106 HA LYS 106 6.711 10.707 -0.930 646 1HB LYS 106 2HB LYS 106 7.078 12.630 -2.398 647 2HB LYS 106 1HB LYS 106 8.401 11.788 -3.193 648 1HG LYS 106 2HG LYS 106 6.577 9.989 -3.691 649 2HG LYS 106 1HG LYS 106 5.466 11.329 -3.402 650 1HD LYS 106 2HD LYS 106 7.707 12.026 -5.142 651 2HD LYS 106 1HD LYS 106 6.684 10.745 -5.794 652 1HE LYS 106 2HE LYS 106 4.705 12.205 -5.350 653 2HE LYS 106 1HE LYS 106 5.822 13.493 -4.902 654 1HZ LYS 106 1HZ LYS 106 5.565 13.994 -7.076 655 2HZ LYS 106 2HZ LYS 106 5.198 12.408 -7.534 656 3HZ LYS 106 3HZ LYS 106 6.807 12.860 -7.265 657 H VAL 107 H VAL 107 6.359 8.621 -1.373 658 HA VAL 107 HA VAL 107 8.604 7.027 -2.404 659 HB VAL 107 HB VAL 107 7.045 5.206 -1.131 660 1HG1 VAL 107 1HG1 VAL 107 8.774 5.064 0.505 661 2HG1 VAL 107 2HG1 VAL 107 9.238 6.745 0.236 662 3HG1 VAL 107 3HG1 VAL 107 9.520 5.541 -1.021 663 1HG2 VAL 107 1HG2 VAL 107 6.419 6.040 1.045 664 2HG2 VAL 107 2HG2 VAL 107 5.600 6.971 -0.209 665 3HG2 VAL 107 3HG2 VAL 107 7.000 7.650 0.622 666 H THR 108 H THR 108 7.875 4.949 -3.412 667 HA THR 108 HA THR 108 5.345 5.302 -4.882 668 HB THR 108 HB THR 108 6.749 3.794 -6.607 669 HG1 THR 108 1HG THR 108 8.702 5.496 -5.464 670 1HG2 THR 108 1HG2 THR 108 6.300 5.534 -7.886 671 2HG2 THR 108 2HG2 THR 108 7.660 6.400 -7.171 672 3HG2 THR 108 3HG2 THR 108 6.050 6.545 -6.464 673 H LEU 109 H LEU 109 3.984 3.872 -3.992 674 HA LEU 109 HA LEU 109 5.008 1.265 -3.152 675 1HB LEU 109 2HB LEU 109 2.167 1.926 -2.703 676 2HB LEU 109 1HB LEU 109 3.329 1.168 -1.632 677 HG LEU 109 HG LEU 109 3.126 4.128 -2.204 678 1HD1 LEU 109 1HD1 LEU 109 2.563 2.674 0.368 679 2HD1 LEU 109 2HD1 LEU 109 1.312 3.086 -0.804 680 3HD1 LEU 109 3HD1 LEU 109 2.242 4.364 -0.022 681 1HD2 LEU 109 1HD2 LEU 109 4.834 2.792 -0.124 682 2HD2 LEU 109 2HD2 LEU 109 4.882 4.466 -0.677 683 3HD2 LEU 109 3HD2 LEU 109 5.435 3.171 -1.739 684 H GLU 110 H GLU 110 4.389 -0.638 -3.993 685 HA GLU 110 HA GLU 110 2.556 -0.567 -6.301 686 1HB GLU 110 2HB GLU 110 5.121 -1.162 -6.553 687 2HB GLU 110 1HB GLU 110 4.588 -2.735 -5.976 688 1HG GLU 110 2HG GLU 110 3.368 -3.172 -7.861 689 2HG GLU 110 1HG GLU 110 3.119 -1.464 -8.227 690 H ILE 111 H ILE 111 0.645 -1.284 -5.520 691 HA ILE 111 HA ILE 111 0.671 -3.733 -3.894 692 HB ILE 111 HB ILE 111 -1.613 -2.872 -3.126 693 1HG1 ILE 111 2HG1 ILE 111 -1.570 -1.023 -4.904 694 2HG1 ILE 111 1HG1 ILE 111 -2.116 -0.584 -3.286 695 1HG2 ILE 111 1HG2 ILE 111 1.078 -2.134 -2.257 696 2HG2 ILE 111 2HG2 ILE 111 -0.255 -2.845 -1.347 697 3HG2 ILE 111 3HG2 ILE 111 -0.205 -1.102 -1.621 698 1HD1 ILE 111 1HD1 ILE 111 -0.523 0.938 -3.090 699 2HD1 ILE 111 2HD1 ILE 111 -0.164 0.675 -4.797 700 3HD1 ILE 111 3HD1 ILE 111 0.728 -0.211 -3.561 701 H GLU 112 H GLU 112 -0.920 -5.278 -4.253 702 HA GLU 112 HA GLU 112 -2.207 -5.123 -6.890 703 1HB GLU 112 2HB GLU 112 -0.631 -7.028 -6.416 704 2HB GLU 112 1HB GLU 112 -1.762 -7.582 -5.190 705 1HG GLU 112 2HG GLU 112 -3.408 -8.096 -6.784 706 2HG GLU 112 1HG GLU 112 -2.585 -7.180 -8.047 707 H PHE 113 H PHE 113 -4.299 -4.674 -6.906 708 HA PHE 113 HA PHE 113 -5.902 -5.388 -4.540 709 1HB PHE 113 2HB PHE 113 -7.363 -3.490 -5.121 710 2HB PHE 113 1HB PHE 113 -5.706 -2.971 -4.825 711 HD1 PHE 113 1HD PHE 113 -8.426 -3.027 -7.149 712 HD2 PHE 113 2HD PHE 113 -4.216 -2.523 -6.809 713 HE1 PHE 113 1HE PHE 113 -8.385 -1.928 -9.347 714 HE2 PHE 113 2HE PHE 113 -4.166 -1.422 -9.007 715 HZ PHE 113 HZ PHE 113 -6.253 -1.125 -10.283 716 H ASP 114 H ASP 114 -7.890 -6.320 -4.804 717 HA ASP 114 HA ASP 114 -8.396 -7.481 -7.446 718 1HB ASP 114 2HB ASP 114 -9.671 -8.266 -4.822 719 2HB ASP 114 1HB ASP 114 -9.666 -9.180 -6.327 720 H VAL 115 H VAL 115 -10.687 -7.703 -8.106 721 HA VAL 115 HA VAL 115 -12.384 -5.529 -7.091 722 HB VAL 115 HB VAL 115 -13.101 -5.193 -9.535 723 1HG1 VAL 115 1HG1 VAL 115 -11.679 -3.663 -8.073 724 2HG1 VAL 115 2HG1 VAL 115 -11.544 -3.451 -9.819 725 3HG1 VAL 115 3HG1 VAL 115 -10.288 -4.320 -8.936 726 1HG2 VAL 115 1HG2 VAL 115 -11.551 -7.307 -10.071 727 2HG2 VAL 115 2HG2 VAL 115 -10.373 -6.019 -10.321 728 3HG2 VAL 115 3HG2 VAL 115 -11.873 -6.033 -11.249 729 H ALA 116 H ALA 116 -14.660 -5.724 -8.073 730 HA ALA 116 HA ALA 116 -15.810 -8.121 -7.251 731 1HB ALA 116 1HB ALA 116 -16.847 -5.765 -7.686 732 2HB ALA 116 2HB ALA 116 -17.837 -7.215 -7.845 733 3HB ALA 116 3HB ALA 116 -17.188 -6.429 -9.284 734 H GLU 117 H GLU 117 -15.298 -10.028 -8.131 735 HA GLU 117 HA GLU 117 -14.712 -10.375 -10.908 736 1HB GLU 117 2HB GLU 117 -15.307 -12.486 -8.831 737 2HB GLU 117 1HB GLU 117 -14.509 -12.734 -10.377 738 1HG GLU 117 2HG GLU 117 -12.574 -11.602 -9.683 739 2HG GLU 117 1HG GLU 117 -13.388 -10.904 -8.282 740 H SER 118 H SER 118 -16.614 -9.548 -11.913 741 HA SER 118 HA SER 118 -18.650 -9.699 -12.915 742 1HB SER 118 2HB SER 118 -19.232 -11.790 -13.798 743 2HB SER 118 1HB SER 118 -17.495 -11.942 -13.532 744 HG SER 118 HG SER 118 -17.926 -13.074 -11.634 Start of MODEL 11 1 1H GLN 18 1HT GLN 18 -17.805 -16.107 -14.985 2 2H GLN 18 2HT GLN 18 -16.147 -15.930 -14.578 3 3H GLN 18 3HT GLN 18 -16.626 -16.016 -16.225 4 HA GLN 18 HA GLN 18 -17.650 -13.959 -16.151 5 1HB GLN 18 2HB GLN 18 -17.882 -14.638 -13.379 6 2HB GLN 18 1HB GLN 18 -17.117 -13.061 -13.505 7 1HG GLN 18 2HG GLN 18 -19.682 -13.788 -14.894 8 2HG GLN 18 1HG GLN 18 -19.602 -13.021 -13.309 9 1HE2 GLN 18 1HE2 GLN 18 -20.969 -11.713 -15.154 10 2HE2 GLN 18 2HE2 GLN 18 -20.092 -10.341 -15.749 11 H VAL 19 H VAL 19 -16.533 -11.959 -16.316 12 HA VAL 19 HA VAL 19 -13.699 -12.252 -16.565 13 HB VAL 19 HB VAL 19 -14.989 -10.879 -18.143 14 1HG1 VAL 19 1HG1 VAL 19 -16.317 -9.156 -17.574 15 2HG1 VAL 19 2HG1 VAL 19 -15.220 -8.590 -16.313 16 3HG1 VAL 19 3HG1 VAL 19 -16.322 -9.928 -15.988 17 1HG2 VAL 19 1HG2 VAL 19 -12.835 -9.524 -16.545 18 2HG2 VAL 19 2HG2 VAL 19 -13.514 -8.809 -18.007 19 3HG2 VAL 19 3HG2 VAL 19 -12.693 -10.367 -18.088 20 H VAL 20 H VAL 20 -12.348 -12.146 -14.905 21 HA VAL 20 HA VAL 20 -12.886 -10.177 -12.778 22 HB VAL 20 HB VAL 20 -13.212 -12.467 -11.944 23 1HG1 VAL 20 1HG1 VAL 20 -11.481 -14.091 -11.901 24 2HG1 VAL 20 2HG1 VAL 20 -10.293 -12.939 -12.509 25 3HG1 VAL 20 3HG1 VAL 20 -11.592 -13.506 -13.560 26 1HG2 VAL 20 1HG2 VAL 20 -11.847 -10.466 -10.733 27 2HG2 VAL 20 2HG2 VAL 20 -10.677 -11.781 -10.620 28 3HG2 VAL 20 3HG2 VAL 20 -12.296 -11.979 -9.946 29 H HIS 21 H HIS 21 -11.366 -8.678 -12.540 30 HA HIS 21 HA HIS 21 -8.862 -8.948 -13.983 31 1HB HIS 21 2HB HIS 21 -10.356 -6.703 -12.718 32 2HB HIS 21 1HB HIS 21 -8.614 -6.533 -12.895 33 HD1 HIS 21 1HD HIS 21 -10.129 -4.566 -14.459 34 HD2 HIS 21 2HD HIS 21 -9.366 -8.372 -15.942 35 HE1 HIS 21 1HE HIS 21 -10.341 -4.369 -16.956 36 HE2 HIS 21 2HE HIS 21 -9.969 -6.704 -17.824 37 H THR 22 H THR 22 -6.890 -7.952 -12.801 38 HA THR 22 HA THR 22 -6.507 -8.019 -10.073 39 HB THR 22 HB THR 22 -5.163 -10.403 -10.326 40 HG1 THR 22 1HG THR 22 -6.693 -11.845 -11.218 41 1HG2 THR 22 1HG2 THR 22 -7.665 -9.569 -9.042 42 2HG2 THR 22 2HG2 THR 22 -6.261 -10.403 -8.377 43 3HG2 THR 22 3HG2 THR 22 -7.474 -11.306 -9.285 44 H GLU 23 H GLU 23 -4.873 -6.601 -10.166 45 HA GLU 23 HA GLU 23 -2.389 -7.431 -11.418 46 1HB GLU 23 2HB GLU 23 -3.064 -4.658 -12.134 47 2HB GLU 23 1HB GLU 23 -2.278 -5.908 -13.087 48 1HG GLU 23 2HG GLU 23 -4.508 -6.933 -13.473 49 2HG GLU 23 1HG GLU 23 -5.231 -5.556 -12.643 50 H THR 24 H THR 24 -0.721 -5.541 -11.120 51 HA THR 24 HA THR 24 -0.952 -4.690 -8.319 52 HB THR 24 HB THR 24 1.561 -4.388 -8.520 53 HG1 THR 24 1HG THR 24 1.576 -4.358 -10.837 54 1HG2 THR 24 1HG2 THR 24 1.989 -6.940 -8.742 55 2HG2 THR 24 2HG2 THR 24 0.228 -7.043 -8.730 56 3HG2 THR 24 3HG2 THR 24 1.078 -6.310 -7.370 57 H THR 25 H THR 25 -0.690 -2.570 -7.732 58 HA THR 25 HA THR 25 -0.504 -0.636 -9.947 59 HB THR 25 HB THR 25 -2.686 -0.409 -9.107 60 HG1 THR 25 1HG THR 25 -2.370 1.640 -8.960 61 1HG2 THR 25 1HG2 THR 25 -2.454 0.140 -6.363 62 2HG2 THR 25 2HG2 THR 25 -1.606 -1.375 -6.663 63 3HG2 THR 25 3HG2 THR 25 -3.292 -1.201 -7.141 64 H GLU 26 H GLU 26 0.786 1.129 -9.745 65 HA GLU 26 HA GLU 26 2.631 1.115 -7.457 66 1HB GLU 26 2HB GLU 26 3.042 1.390 -10.268 67 2HB GLU 26 1HB GLU 26 3.493 2.909 -9.508 68 1HG GLU 26 2HG GLU 26 4.675 1.100 -7.856 69 2HG GLU 26 1HG GLU 26 4.798 0.295 -9.419 70 H VAL 27 H VAL 27 1.634 2.340 -5.949 71 HA VAL 27 HA VAL 27 0.570 4.946 -6.750 72 HB VAL 27 HB VAL 27 -0.049 4.663 -4.086 73 1HG1 VAL 27 1HG1 VAL 27 -1.534 5.460 -5.847 74 2HG1 VAL 27 2HG1 VAL 27 -2.326 4.225 -4.867 75 3HG1 VAL 27 3HG1 VAL 27 -1.696 3.815 -6.464 76 1HG2 VAL 27 1HG2 VAL 27 0.763 2.341 -4.088 77 2HG2 VAL 27 2HG2 VAL 27 -0.387 1.954 -5.367 78 3HG2 VAL 27 3HG2 VAL 27 -0.970 2.439 -3.774 79 H VAL 28 H VAL 28 1.520 6.792 -6.163 80 HA VAL 28 HA VAL 28 3.874 6.606 -4.410 81 HB VAL 28 HB VAL 28 3.256 8.857 -6.319 82 1HG1 VAL 28 1HG1 VAL 28 5.411 8.216 -4.442 83 2HG1 VAL 28 2HG1 VAL 28 4.922 9.767 -5.126 84 3HG1 VAL 28 3HG1 VAL 28 5.964 8.683 -6.050 85 1HG2 VAL 28 1HG2 VAL 28 4.347 6.174 -6.843 86 2HG2 VAL 28 2HG2 VAL 28 5.270 7.513 -7.523 87 3HG2 VAL 28 3HG2 VAL 28 3.568 7.318 -7.936 88 H LEU 29 H LEU 29 3.510 7.257 -2.409 89 HA LEU 29 HA LEU 29 1.498 9.318 -1.894 90 1HB LEU 29 2HB LEU 29 2.774 7.185 -0.221 91 2HB LEU 29 1HB LEU 29 2.037 8.576 0.551 92 HG LEU 29 HG LEU 29 0.595 6.509 0.369 93 1HD1 LEU 29 1HD1 LEU 29 -1.380 7.911 -0.587 94 2HD1 LEU 29 2HD1 LEU 29 -0.199 9.221 -0.591 95 3HD1 LEU 29 3HD1 LEU 29 -0.598 8.397 0.916 96 1HD2 LEU 29 1HD2 LEU 29 -0.548 6.206 -1.821 97 2HD2 LEU 29 2HD2 LEU 29 1.159 5.766 -1.838 98 3HD2 LEU 29 3HD2 LEU 29 0.636 7.298 -2.540 99 H THR 30 H THR 30 2.043 10.917 -0.154 100 HA THR 30 HA THR 30 4.873 11.709 -0.368 101 HB THR 30 HB THR 30 2.523 13.573 0.012 102 HG1 THR 30 1HG THR 30 2.597 13.950 -2.146 103 1HG2 THR 30 1HG2 THR 30 4.985 14.216 0.617 104 2HG2 THR 30 2HG2 THR 30 3.938 15.339 -0.251 105 3HG2 THR 30 3HG2 THR 30 5.138 14.392 -1.130 106 H ALA 31 H ALA 31 5.976 12.041 1.464 107 HA ALA 31 HA ALA 31 4.729 11.390 3.972 108 1HB ALA 31 1HB ALA 31 7.515 12.430 3.818 109 2HB ALA 31 2HB ALA 31 7.148 10.861 3.101 110 3HB ALA 31 3HB ALA 31 6.844 11.140 4.817 111 H ASP 32 H ASP 32 3.284 13.039 4.437 112 HA ASP 32 HA ASP 32 3.838 15.787 4.301 113 1HB ASP 32 2HB ASP 32 1.611 14.352 4.791 114 2HB ASP 32 1HB ASP 32 1.999 14.854 6.434 115 HA PRO 33 HA PRO 33 6.529 16.349 7.770 116 1HB PRO 33 2HB PRO 33 6.270 19.016 8.112 117 2HB PRO 33 1HB PRO 33 7.148 18.315 6.747 118 1HG PRO 33 2HG PRO 33 4.350 19.380 6.853 119 2HG PRO 33 1HG PRO 33 5.592 19.622 5.611 120 1HD PRO 33 2HD PRO 33 3.575 17.827 5.350 121 2HD PRO 33 1HD PRO 33 5.176 17.589 4.622 122 H VAL 34 H VAL 34 3.190 16.678 7.920 123 HA VAL 34 HA VAL 34 3.191 17.445 10.747 124 HB VAL 34 HB VAL 34 0.805 17.026 8.944 125 1HG1 VAL 34 1HG1 VAL 34 -0.497 17.998 10.628 126 2HG1 VAL 34 2HG1 VAL 34 0.914 18.631 11.478 127 3HG1 VAL 34 3HG1 VAL 34 0.580 16.900 11.490 128 1HG2 VAL 34 1HG2 VAL 34 0.942 19.135 8.181 129 2HG2 VAL 34 2HG2 VAL 34 2.649 18.994 8.602 130 3HG2 VAL 34 3HG2 VAL 34 1.524 19.763 9.722 131 H THR 35 H THR 35 1.737 14.965 8.634 132 HA THR 35 HA THR 35 1.573 13.190 10.975 133 HB THR 35 HB THR 35 -0.571 13.663 9.859 134 HG1 THR 35 1HG THR 35 -1.168 11.478 9.577 135 1HG2 THR 35 1HG2 THR 35 0.282 13.974 7.565 136 2HG2 THR 35 2HG2 THR 35 -1.080 12.858 7.664 137 3HG2 THR 35 3HG2 THR 35 0.558 12.235 7.468 138 H GLY 36 H GLY 36 2.402 13.220 7.516 139 1HA GLY 36 2HA GLY 36 4.362 12.189 6.653 140 2HA GLY 36 1HA GLY 36 4.403 11.149 8.067 141 H PHE 37 H PHE 37 3.149 9.307 8.131 142 HA PHE 37 HA PHE 37 1.622 8.616 5.745 143 1HB PHE 37 2HB PHE 37 3.921 6.984 6.841 144 2HB PHE 37 1HB PHE 37 2.750 6.376 5.676 145 HD1 PHE 37 1HD PHE 37 5.836 8.058 6.109 146 HD2 PHE 37 2HD PHE 37 2.516 7.693 3.473 147 HE1 PHE 37 1HE PHE 37 7.199 8.966 4.274 148 HE2 PHE 37 2HE PHE 37 3.874 8.601 1.632 149 HZ PHE 37 HZ PHE 37 6.221 9.238 2.032 150 H GLY 38 H GLY 38 -0.085 8.977 7.308 151 1HA GLY 38 2HA GLY 38 -0.347 7.400 9.651 152 2HA GLY 38 1HA GLY 38 -1.635 8.294 8.860 153 H ILE 39 H ILE 39 0.055 6.009 6.910 154 HA ILE 39 HA ILE 39 -2.327 4.311 6.895 155 HB ILE 39 HB ILE 39 -1.535 5.099 4.724 156 1HG1 ILE 39 2HG1 ILE 39 -0.777 2.229 4.605 157 2HG1 ILE 39 1HG1 ILE 39 -2.358 2.603 5.289 158 1HG2 ILE 39 1HG2 ILE 39 0.606 5.180 4.141 159 2HG2 ILE 39 2HG2 ILE 39 0.838 3.470 4.504 160 3HG2 ILE 39 3HG2 ILE 39 0.999 4.672 5.784 161 1HD1 ILE 39 1HD1 ILE 39 -1.901 2.201 2.674 162 2HD1 ILE 39 2HD1 ILE 39 -1.722 3.953 2.759 163 3HD1 ILE 39 3HD1 ILE 39 -3.217 3.193 3.303 164 H GLN 40 H GLN 40 -2.353 2.320 7.742 165 HA GLN 40 HA GLN 40 0.197 1.220 8.717 166 1HB GLN 40 2HB GLN 40 -2.244 1.699 10.048 167 2HB GLN 40 1HB GLN 40 -2.091 -0.048 9.910 168 1HG GLN 40 2HG GLN 40 -0.986 0.243 11.857 169 2HG GLN 40 1HG GLN 40 0.365 0.482 10.751 170 1HE2 GLN 40 1HE2 GLN 40 -2.321 2.516 11.875 171 2HE2 GLN 40 2HE2 GLN 40 -1.327 3.842 12.386 172 H LEU 41 H LEU 41 0.684 -0.937 8.429 173 HA LEU 41 HA LEU 41 -1.035 -2.406 6.542 174 1HB LEU 41 2HB LEU 41 1.858 -3.022 6.575 175 2HB LEU 41 1HB LEU 41 0.730 -2.995 5.233 176 HG LEU 41 HG LEU 41 2.002 -0.575 6.514 177 1HD1 LEU 41 1HD1 LEU 41 2.435 -1.664 3.747 178 2HD1 LEU 41 2HD1 LEU 41 3.472 -2.069 5.116 179 3HD1 LEU 41 3HD1 LEU 41 3.339 -0.396 4.574 180 1HD2 LEU 41 1HD2 LEU 41 0.958 0.208 4.110 181 2HD2 LEU 41 2HD2 LEU 41 0.218 0.490 5.685 182 3HD2 LEU 41 3HD2 LEU 41 -0.277 -0.897 4.715 183 H GLN 42 H GLN 42 -0.913 -4.746 6.691 184 HA GLN 42 HA GLN 42 -0.042 -5.687 9.342 185 1HB GLN 42 2HB GLN 42 -2.654 -5.985 7.957 186 2HB GLN 42 1HB GLN 42 -2.061 -7.379 8.854 187 1HG GLN 42 2HG GLN 42 -1.678 -5.473 10.695 188 2HG GLN 42 1HG GLN 42 -3.041 -4.772 9.822 189 1HE2 GLN 42 1HE2 GLN 42 -4.448 -7.003 9.112 190 2HE2 GLN 42 2HE2 GLN 42 -5.044 -7.797 10.535 191 H GLY 43 H GLY 43 0.764 -7.795 9.472 192 1HA GLY 43 2HA GLY 43 1.755 -8.825 6.918 193 2HA GLY 43 1HA GLY 43 2.368 -9.244 8.510 194 H SER 44 H SER 44 -1.051 -9.242 7.916 195 HA SER 44 HA SER 44 -1.085 -12.127 7.484 196 1HB SER 44 2HB SER 44 -2.465 -12.620 9.351 197 2HB SER 44 1HB SER 44 -1.167 -11.610 9.986 198 HG SER 44 HG SER 44 -3.078 -10.811 10.776 199 H VAL 45 H VAL 45 -2.599 -12.696 6.061 200 HA VAL 45 HA VAL 45 -4.509 -10.672 5.195 201 HB VAL 45 HB VAL 45 -3.794 -13.307 3.915 202 1HG1 VAL 45 1HG1 VAL 45 -5.922 -12.849 3.115 203 2HG1 VAL 45 2HG1 VAL 45 -4.887 -12.090 1.905 204 3HG1 VAL 45 3HG1 VAL 45 -5.666 -11.105 3.142 205 1HG2 VAL 45 1HG2 VAL 45 -1.937 -11.704 3.933 206 2HG2 VAL 45 2HG2 VAL 45 -2.976 -10.503 3.166 207 3HG2 VAL 45 3HG2 VAL 45 -2.549 -11.980 2.303 208 H PHE 46 H PHE 46 -4.775 -14.173 5.296 209 HA PHE 46 HA PHE 46 -6.943 -14.152 7.169 210 1HB PHE 46 2HB PHE 46 -7.675 -13.621 4.567 211 2HB PHE 46 1HB PHE 46 -7.916 -15.361 4.683 212 HD1 PHE 46 1HD PHE 46 -8.659 -12.234 6.572 213 HD2 PHE 46 2HD PHE 46 -9.933 -16.139 5.461 214 HE1 PHE 46 1HE PHE 46 -10.808 -11.851 7.708 215 HE2 PHE 46 2HE PHE 46 -12.086 -15.764 6.594 216 HZ PHE 46 HZ PHE 46 -12.525 -13.617 7.720 217 H ALA 47 H ALA 47 -5.611 -15.639 8.239 218 HA ALA 47 HA ALA 47 -5.814 -18.359 7.188 219 1HB ALA 47 1HB ALA 47 -3.621 -17.731 6.472 220 2HB ALA 47 2HB ALA 47 -3.450 -18.816 7.851 221 3HB ALA 47 3HB ALA 47 -3.231 -17.079 8.063 222 H THR 48 H THR 48 -6.862 -19.455 8.703 223 HA THR 48 HA THR 48 -7.224 -18.645 11.332 224 HB THR 48 HB THR 48 -8.754 -20.191 10.276 225 HG1 THR 48 1HG THR 48 -9.142 -21.012 12.149 226 1HG2 THR 48 1HG2 THR 48 -7.544 -22.686 10.483 227 2HG2 THR 48 2HG2 THR 48 -6.373 -21.668 9.646 228 3HG2 THR 48 3HG2 THR 48 -8.008 -21.838 9.008 229 H GLU 49 H GLU 49 -4.582 -20.246 9.889 230 HA GLU 49 HA GLU 49 -3.170 -20.283 12.408 231 1HB GLU 49 2HB GLU 49 -4.141 -22.746 11.093 232 2HB GLU 49 1HB GLU 49 -2.461 -22.775 11.608 233 1HG GLU 49 2HG GLU 49 -3.209 -22.103 13.879 234 2HG GLU 49 1HG GLU 49 -4.875 -22.267 13.327 235 H THR 50 H THR 50 -0.940 -20.243 12.175 236 HA THR 50 HA THR 50 1.046 -19.795 11.164 237 HB THR 50 HB THR 50 0.344 -21.048 8.594 238 HG1 THR 50 1HG THR 50 -0.826 -22.490 9.653 239 1HG2 THR 50 1HG2 THR 50 2.329 -22.535 9.680 240 2HG2 THR 50 2HG2 THR 50 2.608 -20.966 10.439 241 3HG2 THR 50 3HG2 THR 50 2.572 -21.102 8.680 242 H LEU 51 H LEU 51 2.078 -18.602 9.369 243 HA LEU 51 HA LEU 51 0.170 -16.718 8.147 244 1HB LEU 51 2HB LEU 51 2.141 -16.115 9.907 245 2HB LEU 51 1HB LEU 51 3.006 -15.931 8.393 246 HG LEU 51 HG LEU 51 2.021 -13.819 9.282 247 1HD1 LEU 51 1HD1 LEU 51 0.648 -13.489 6.984 248 2HD1 LEU 51 2HD1 LEU 51 1.590 -14.928 6.593 249 3HD1 LEU 51 3HD1 LEU 51 2.407 -13.449 7.100 250 1HD2 LEU 51 1HD2 LEU 51 -0.652 -14.828 8.400 251 2HD2 LEU 51 2HD2 LEU 51 -0.260 -13.453 9.433 252 3HD2 LEU 51 3HD2 LEU 51 -0.095 -15.097 10.052 253 H SER 52 H SER 52 -0.138 -17.517 6.135 254 HA SER 52 HA SER 52 2.263 -17.968 4.490 255 1HB SER 52 2HB SER 52 -0.188 -19.545 4.826 256 2HB SER 52 1HB SER 52 0.271 -19.276 3.145 257 HG SER 52 HG SER 52 1.887 -20.596 3.398 258 H SER 53 H SER 53 0.543 -15.563 5.020 259 HA SER 53 HA SER 53 0.000 -14.907 2.205 260 1HB SER 53 2HB SER 53 -1.577 -13.611 4.397 261 2HB SER 53 1HB SER 53 -2.009 -13.858 2.705 262 HG SER 53 HG SER 53 -3.014 -15.566 3.372 263 HA PRO 54 HA PRO 54 3.175 -11.836 2.993 264 1HB PRO 54 2HB PRO 54 1.860 -10.595 0.622 265 2HB PRO 54 1HB PRO 54 3.571 -10.921 0.916 266 1HG PRO 54 2HG PRO 54 2.168 -12.455 -0.743 267 2HG PRO 54 1HG PRO 54 3.381 -13.160 0.343 268 1HD PRO 54 2HD PRO 54 0.403 -13.188 0.549 269 2HD PRO 54 1HD PRO 54 1.579 -14.437 1.002 270 HA PRO 55 HA PRO 55 1.195 -8.469 5.042 271 1HB PRO 55 2HB PRO 55 2.634 -6.288 4.215 272 2HB PRO 55 1HB PRO 55 3.203 -7.443 5.425 273 1HG PRO 55 2HG PRO 55 3.852 -7.281 2.509 274 2HG PRO 55 1HG PRO 55 4.928 -7.609 3.879 275 1HD PRO 55 2HD PRO 55 4.014 -9.578 2.291 276 2HD PRO 55 1HD PRO 55 4.264 -9.822 4.031 277 H LEU 56 H LEU 56 0.046 -6.379 4.725 278 HA LEU 56 HA LEU 56 -0.562 -5.452 2.105 279 1HB LEU 56 2HB LEU 56 -2.857 -6.168 1.937 280 2HB LEU 56 1HB LEU 56 -1.815 -7.572 2.077 281 HG LEU 56 HG LEU 56 -3.331 -6.398 4.404 282 1HD1 LEU 56 1HD1 LEU 56 -4.548 -7.518 2.267 283 2HD1 LEU 56 2HD1 LEU 56 -5.156 -7.614 3.920 284 3HD1 LEU 56 3HD1 LEU 56 -4.218 -8.948 3.245 285 1HD2 LEU 56 1HD2 LEU 56 -1.488 -8.667 4.006 286 2HD2 LEU 56 2HD2 LEU 56 -2.919 -8.987 4.986 287 3HD2 LEU 56 3HD2 LEU 56 -1.806 -7.699 5.445 288 H ILE 57 H ILE 57 -1.964 -3.633 2.102 289 HA ILE 57 HA ILE 57 -1.845 -2.089 4.501 290 HB ILE 57 HB ILE 57 -3.230 -1.539 1.873 291 1HG1 ILE 57 2HG1 ILE 57 -0.733 -0.205 2.869 292 2HG1 ILE 57 1HG1 ILE 57 -0.644 -1.766 2.061 293 1HG2 ILE 57 1HG2 ILE 57 -3.318 0.803 2.604 294 2HG2 ILE 57 2HG2 ILE 57 -2.685 0.328 4.180 295 3HG2 ILE 57 3HG2 ILE 57 -4.266 -0.249 3.654 296 1HD1 ILE 57 1HD1 ILE 57 -0.265 0.189 0.580 297 2HD1 ILE 57 2HD1 ILE 57 -1.936 0.670 0.868 298 3HD1 ILE 57 3HD1 ILE 57 -1.585 -0.861 0.068 299 H SER 58 H SER 58 -3.622 -1.204 5.681 300 HA SER 58 HA SER 58 -6.308 -1.911 5.231 301 1HB SER 58 2HB SER 58 -4.922 -4.080 6.153 302 2HB SER 58 1HB SER 58 -5.528 -3.385 7.657 303 HG SER 58 HG SER 58 -7.555 -3.750 7.034 304 H TYR 59 H TYR 59 -5.056 0.465 5.884 305 HA TYR 59 HA TYR 59 -6.640 1.374 8.011 306 1HB TYR 59 2HB TYR 59 -4.917 0.072 9.313 307 2HB TYR 59 1HB TYR 59 -3.718 1.235 8.753 308 HD1 TYR 59 1HD TYR 59 -3.433 3.291 9.861 309 HD2 TYR 59 2HD TYR 59 -6.875 0.929 10.684 310 HE1 TYR 59 1HE TYR 59 -4.004 4.786 11.727 311 HE2 TYR 59 2HE TYR 59 -7.456 2.418 12.554 312 HH TYR 59 HH TYR 59 -7.039 4.652 13.327 313 H ILE 60 H ILE 60 -6.959 3.462 7.757 314 HA ILE 60 HA ILE 60 -4.845 5.185 6.725 315 HB ILE 60 HB ILE 60 -7.372 5.908 5.505 316 1HG1 ILE 60 2HG1 ILE 60 -6.212 3.204 4.794 317 2HG1 ILE 60 1HG1 ILE 60 -7.818 3.516 5.440 318 1HG2 ILE 60 1HG2 ILE 60 -5.923 5.932 3.472 319 2HG2 ILE 60 2HG2 ILE 60 -4.616 5.289 4.462 320 3HG2 ILE 60 3HG2 ILE 60 -5.293 6.877 4.820 321 1HD1 ILE 60 1HD1 ILE 60 -7.111 4.864 2.907 322 2HD1 ILE 60 2HD1 ILE 60 -8.642 4.171 3.439 323 3HD1 ILE 60 3HD1 ILE 60 -7.353 3.118 2.858 324 H GLU 61 H GLU 61 -5.199 7.466 7.245 325 HA GLU 61 HA GLU 61 -7.122 7.739 9.467 326 1HB GLU 61 2HB GLU 61 -4.586 7.987 9.847 327 2HB GLU 61 1HB GLU 61 -4.751 9.529 9.019 328 1HG GLU 61 2HG GLU 61 -4.819 9.731 11.469 329 2HG GLU 61 1HG GLU 61 -6.285 10.323 10.687 330 H ALA 62 H ALA 62 -8.196 9.727 9.774 331 HA ALA 62 HA ALA 62 -9.161 10.862 7.326 332 1HB ALA 62 1HB ALA 62 -10.212 12.459 9.222 333 2HB ALA 62 2HB ALA 62 -9.817 11.044 10.196 334 3HB ALA 62 3HB ALA 62 -10.879 10.883 8.797 335 H ASP 63 H ASP 63 -6.447 11.217 7.514 336 HA ASP 63 HA ASP 63 -6.048 13.848 6.834 337 1HB ASP 63 2HB ASP 63 -6.351 13.726 9.571 338 2HB ASP 63 1HB ASP 63 -4.602 13.660 9.381 339 H SER 64 H SER 64 -5.301 11.116 6.171 340 HA SER 64 HA SER 64 -2.369 11.395 6.233 341 1HB SER 64 2HB SER 64 -3.190 9.460 7.584 342 2HB SER 64 1HB SER 64 -3.921 8.796 6.123 343 HG SER 64 HG SER 64 -1.697 8.958 5.235 344 HA PRO 65 HA PRO 65 -2.548 11.893 1.839 345 1HB PRO 65 2HB PRO 65 -0.259 10.297 1.324 346 2HB PRO 65 1HB PRO 65 -0.320 12.051 1.488 347 1HG PRO 65 2HG PRO 65 0.434 9.990 3.486 348 2HG PRO 65 1HG PRO 65 1.010 11.657 3.312 349 1HD PRO 65 2HD PRO 65 -0.689 10.959 5.267 350 2HD PRO 65 1HD PRO 65 -0.812 12.535 4.455 351 H ALA 66 H ALA 66 -2.152 8.721 3.300 352 HA ALA 66 HA ALA 66 -2.782 7.231 0.957 353 1HB ALA 66 1HB ALA 66 -1.641 5.993 2.555 354 2HB ALA 66 2HB ALA 66 -3.300 5.416 2.728 355 3HB ALA 66 3HB ALA 66 -2.648 6.585 3.876 356 H GLU 67 H GLU 67 -4.652 8.668 3.544 357 HA GLU 67 HA GLU 67 -7.110 7.363 2.892 358 1HB GLU 67 2HB GLU 67 -6.323 8.514 5.109 359 2HB GLU 67 1HB GLU 67 -6.949 9.971 4.355 360 1HG GLU 67 2HG GLU 67 -8.436 7.494 5.137 361 2HG GLU 67 1HG GLU 67 -8.669 9.143 5.710 362 H ARG 68 H ARG 68 -5.831 10.641 2.394 363 HA ARG 68 HA ARG 68 -8.078 11.426 0.802 364 1HB ARG 68 2HB ARG 68 -5.497 12.712 1.619 365 2HB ARG 68 1HB ARG 68 -6.527 13.460 0.402 366 1HG ARG 68 2HG ARG 68 -7.054 14.439 2.492 367 2HG ARG 68 1HG ARG 68 -8.395 13.389 2.048 368 1HD ARG 68 2HD ARG 68 -7.895 13.115 4.397 369 2HD ARG 68 1HD ARG 68 -7.484 11.639 3.530 370 HE ARG 68 HE ARG 68 -5.384 11.889 4.366 371 1HH1 ARG 68 1HH1 ARG 68 -6.849 15.059 4.151 372 2HH1 ARG 68 2HH1 ARG 68 -5.400 15.907 4.570 373 1HH2 ARG 68 1HH2 ARG 68 -3.452 13.040 4.916 374 2HH2 ARG 68 2HH2 ARG 68 -3.486 14.765 5.008 375 H CYS 69 H CYS 69 -5.347 9.596 0.124 376 HA CYS 69 HA CYS 69 -4.433 10.473 -2.326 377 1HB CYS 69 2HB CYS 69 -3.946 8.285 -0.796 378 2HB CYS 69 1HB CYS 69 -4.840 7.552 -2.121 379 HG CYS 69 HG CYS 69 -2.803 9.088 -3.480 380 H GLY 70 H GLY 70 -7.395 8.741 -1.575 381 1HA GLY 70 2HA GLY 70 -9.275 8.342 -2.830 382 2HA GLY 70 1HA GLY 70 -8.710 9.608 -3.909 383 H VAL 71 H VAL 71 -6.763 6.792 -3.274 384 HA VAL 71 HA VAL 71 -7.561 5.620 -5.844 385 HB VAL 71 HB VAL 71 -5.558 6.975 -6.270 386 1HG1 VAL 71 1HG1 VAL 71 -3.448 6.513 -5.228 387 2HG1 VAL 71 2HG1 VAL 71 -4.137 5.163 -4.324 388 3HG1 VAL 71 3HG1 VAL 71 -4.641 6.814 -3.962 389 1HG2 VAL 71 1HG2 VAL 71 -4.184 5.217 -7.290 390 2HG2 VAL 71 2HG2 VAL 71 -5.905 4.946 -7.568 391 3HG2 VAL 71 3HG2 VAL 71 -5.048 4.001 -6.349 392 H LEU 72 H LEU 72 -5.675 5.191 -2.866 393 HA LEU 72 HA LEU 72 -5.616 2.332 -3.122 394 1HB LEU 72 2HB LEU 72 -4.621 2.382 -0.867 395 2HB LEU 72 1HB LEU 72 -3.794 3.432 -2.003 396 HG LEU 72 HG LEU 72 -5.576 5.164 -0.865 397 1HD1 LEU 72 1HD1 LEU 72 -4.950 3.002 1.091 398 2HD1 LEU 72 2HD1 LEU 72 -6.444 3.910 0.851 399 3HD1 LEU 72 3HD1 LEU 72 -5.068 4.670 1.652 400 1HD2 LEU 72 1HD2 LEU 72 -3.178 5.091 0.712 401 2HD2 LEU 72 2HD2 LEU 72 -3.669 6.246 -0.525 402 3HD2 LEU 72 3HD2 LEU 72 -2.798 4.782 -0.981 403 H GLN 73 H GLN 73 -6.467 0.900 -1.402 404 HA GLN 73 HA GLN 73 -8.841 1.883 -0.026 405 1HB GLN 73 2HB GLN 73 -8.891 0.192 -2.407 406 2HB GLN 73 1HB GLN 73 -9.742 -0.528 -1.046 407 1HG GLN 73 2HG GLN 73 -10.346 2.301 -1.496 408 2HG GLN 73 1HG GLN 73 -10.818 1.228 -2.813 409 1HE2 GLN 73 1HE2 GLN 73 -11.896 2.648 -0.096 410 2HE2 GLN 73 2HE2 GLN 73 -13.131 1.524 0.369 411 H ILE 74 H ILE 74 -9.760 0.189 1.441 412 HA ILE 74 HA ILE 74 -7.678 -0.937 3.012 413 HB ILE 74 HB ILE 74 -10.627 -1.544 3.229 414 1HG1 ILE 74 2HG1 ILE 74 -10.318 0.872 3.228 415 2HG1 ILE 74 1HG1 ILE 74 -10.703 0.322 4.855 416 1HG2 ILE 74 1HG2 ILE 74 -8.613 -2.749 4.527 417 2HG2 ILE 74 2HG2 ILE 74 -10.202 -2.478 5.242 418 3HG2 ILE 74 3HG2 ILE 74 -8.875 -1.373 5.598 419 1HD1 ILE 74 1HD1 ILE 74 -7.955 0.259 4.806 420 2HD1 ILE 74 2HD1 ILE 74 -8.959 1.528 5.508 421 3HD1 ILE 74 3HD1 ILE 74 -8.354 1.694 3.859 422 H GLY 75 H GLY 75 -6.709 -2.264 1.275 423 1HA GLY 75 2HA GLY 75 -6.947 -4.942 1.628 424 2HA GLY 75 1HA GLY 75 -8.153 -4.605 0.398 425 H ASP 76 H ASP 76 -4.980 -3.078 0.818 426 HA ASP 76 HA ASP 76 -4.318 -3.903 -1.917 427 1HB ASP 76 2HB ASP 76 -3.310 -1.703 -0.123 428 2HB ASP 76 1HB ASP 76 -2.446 -2.171 -1.585 429 H ARG 77 H ARG 77 -3.016 -5.590 -2.181 430 HA ARG 77 HA ARG 77 -1.477 -6.599 0.059 431 1HB ARG 77 2HB ARG 77 -2.303 -7.630 -2.605 432 2HB ARG 77 1HB ARG 77 -0.844 -8.308 -1.894 433 1HG ARG 77 2HG ARG 77 -2.314 -9.756 -0.995 434 2HG ARG 77 1HG ARG 77 -2.478 -8.484 0.218 435 1HD ARG 77 2HD ARG 77 -4.346 -7.564 -1.268 436 2HD ARG 77 1HD ARG 77 -4.292 -9.124 -2.088 437 HE ARG 77 HE ARG 77 -4.528 -9.415 0.737 438 1HH1 ARG 77 1HH1 ARG 77 -6.341 -8.721 -2.162 439 2HH1 ARG 77 2HH1 ARG 77 -7.841 -9.293 -1.512 440 1HH2 ARG 77 1HH2 ARG 77 -6.498 -10.169 1.595 441 2HH2 ARG 77 2HH2 ARG 77 -7.930 -10.115 0.622 442 H VAL 78 H VAL 78 0.106 -4.959 0.276 443 HA VAL 78 HA VAL 78 1.808 -4.130 -1.827 444 HB VAL 78 HB VAL 78 2.659 -4.165 1.056 445 1HG1 VAL 78 1HG1 VAL 78 4.402 -3.267 -0.093 446 2HG1 VAL 78 2HG1 VAL 78 3.443 -1.804 0.126 447 3HG1 VAL 78 3HG1 VAL 78 3.380 -2.677 -1.404 448 1HG2 VAL 78 1HG2 VAL 78 1.408 -1.693 0.453 449 2HG2 VAL 78 2HG2 VAL 78 0.959 -2.878 1.677 450 3HG2 VAL 78 3HG2 VAL 78 0.270 -2.980 0.059 451 H MET 79 H MET 79 3.749 -4.870 -2.553 452 HA MET 79 HA MET 79 5.343 -6.770 -1.188 453 1HB MET 79 2HB MET 79 3.315 -8.131 -2.001 454 2HB MET 79 1HB MET 79 3.988 -7.928 -3.612 455 1HG MET 79 2HG MET 79 6.152 -8.878 -2.576 456 2HG MET 79 1HG MET 79 5.091 -9.441 -1.286 457 1HE MET 79 1HE MET 79 5.856 -9.462 -5.064 458 2HE MET 79 2HE MET 79 4.117 -9.194 -5.168 459 3HE MET 79 3HE MET 79 4.804 -10.726 -5.702 460 H ALA 80 H ALA 80 5.648 -4.275 -2.588 461 HA ALA 80 HA ALA 80 8.030 -4.753 -3.965 462 1HB ALA 80 1HB ALA 80 7.144 -5.584 -5.878 463 2HB ALA 80 2HB ALA 80 6.967 -3.871 -6.254 464 3HB ALA 80 3HB ALA 80 5.590 -4.785 -5.639 465 H ILE 81 H ILE 81 7.417 -2.993 -2.023 466 HA ILE 81 HA ILE 81 6.703 -0.407 -3.003 467 HB ILE 81 HB ILE 81 8.173 -1.061 -0.448 468 1HG1 ILE 81 2HG1 ILE 81 5.234 -0.574 -0.507 469 2HG1 ILE 81 1HG1 ILE 81 5.811 -2.154 -1.037 470 1HG2 ILE 81 1HG2 ILE 81 7.874 1.366 -1.477 471 2HG2 ILE 81 2HG2 ILE 81 7.758 1.064 0.257 472 3HG2 ILE 81 3HG2 ILE 81 6.292 1.217 -0.713 473 1HD1 ILE 81 1HD1 ILE 81 6.468 -0.905 1.618 474 2HD1 ILE 81 2HD1 ILE 81 6.854 -2.541 1.085 475 3HD1 ILE 81 3HD1 ILE 81 5.174 -2.070 1.344 476 H ASN 82 H ASN 82 7.936 0.846 -4.228 477 HA ASN 82 HA ASN 82 9.758 1.647 -5.349 478 1HB ASN 82 2HB ASN 82 11.383 2.728 -3.953 479 2HB ASN 82 1HB ASN 82 9.825 2.841 -3.143 480 1HD2 ASN 82 1HD2 ASN 82 9.662 2.135 -1.122 481 2HD2 ASN 82 2HD2 ASN 82 10.878 1.236 -0.276 482 H GLY 83 H GLY 83 9.614 -1.255 -5.151 483 1HA GLY 83 2HA GLY 83 11.113 -2.719 -6.312 484 2HA GLY 83 1HA GLY 83 12.461 -1.815 -5.636 485 H ILE 84 H ILE 84 11.514 -1.743 -2.947 486 HA ILE 84 HA ILE 84 12.463 -4.287 -2.056 487 HB ILE 84 HB ILE 84 11.187 -2.113 -0.400 488 1HG1 ILE 84 2HG1 ILE 84 13.127 -1.394 -1.906 489 2HG1 ILE 84 1HG1 ILE 84 13.290 -1.063 -0.184 490 1HG2 ILE 84 1HG2 ILE 84 12.539 -4.640 0.199 491 2HG2 ILE 84 2HG2 ILE 84 11.416 -3.692 1.173 492 3HG2 ILE 84 3HG2 ILE 84 13.125 -3.259 1.127 493 1HD1 ILE 84 1HD1 ILE 84 15.350 -1.918 -1.265 494 2HD1 ILE 84 2HD1 ILE 84 14.509 -3.438 -1.569 495 3HD1 ILE 84 3HD1 ILE 84 14.792 -2.903 0.087 496 HA PRO 85 HA PRO 85 8.252 -5.914 -1.860 497 1HB PRO 85 2HB PRO 85 8.859 -8.487 -2.165 498 2HB PRO 85 1HB PRO 85 9.004 -7.357 -3.518 499 1HG PRO 85 2HG PRO 85 11.132 -8.542 -1.802 500 2HG PRO 85 1HG PRO 85 11.172 -8.139 -3.526 501 1HD PRO 85 2HD PRO 85 12.197 -6.580 -1.414 502 2HD PRO 85 1HD PRO 85 11.965 -6.059 -3.093 503 H THR 86 H THR 86 9.918 -5.281 0.532 504 HA THR 86 HA THR 86 9.972 -5.703 2.759 505 HB THR 86 HB THR 86 8.010 -6.528 3.770 506 HG1 THR 86 1HG THR 86 6.694 -8.006 2.872 507 1HG2 THR 86 1HG2 THR 86 7.039 -5.567 1.095 508 2HG2 THR 86 2HG2 THR 86 7.601 -4.513 2.392 509 3HG2 THR 86 3HG2 THR 86 6.174 -5.520 2.632 510 H GLU 87 H GLU 87 11.270 -7.596 0.798 511 HA GLU 87 HA GLU 87 12.368 -9.596 0.771 512 1HB GLU 87 2HB GLU 87 12.473 -8.852 3.691 513 2HB GLU 87 1HB GLU 87 13.365 -10.212 3.023 514 1HG GLU 87 2HG GLU 87 14.037 -8.149 1.339 515 2HG GLU 87 1HG GLU 87 13.939 -7.366 2.916 516 H ASP 88 H ASP 88 10.852 -11.076 0.109 517 HA ASP 88 HA ASP 88 9.552 -12.934 0.215 518 1HB ASP 88 2HB ASP 88 11.314 -13.823 1.655 519 2HB ASP 88 1HB ASP 88 10.573 -13.066 3.062 520 H SER 89 H SER 89 9.123 -11.895 3.589 521 HA SER 89 HA SER 89 6.569 -10.703 3.100 522 1HB SER 89 2HB SER 89 5.684 -12.877 2.924 523 2HB SER 89 1HB SER 89 6.724 -13.501 4.203 524 HG SER 89 HG SER 89 4.511 -11.749 4.477 525 H THR 90 H THR 90 6.457 -9.116 4.528 526 HA THR 90 HA THR 90 6.596 -9.418 7.297 527 HB THR 90 HB THR 90 8.853 -7.773 7.132 528 HG1 THR 90 1HG THR 90 9.458 -8.460 5.149 529 1HG2 THR 90 1HG2 THR 90 8.107 -9.860 8.656 530 2HG2 THR 90 2HG2 THR 90 9.728 -9.164 8.649 531 3HG2 THR 90 3HG2 THR 90 9.382 -10.603 7.689 532 H PHE 91 H PHE 91 4.862 -8.074 7.378 533 HA PHE 91 HA PHE 91 4.464 -5.736 5.938 534 1HB PHE 91 2HB PHE 91 2.706 -5.226 7.467 535 2HB PHE 91 1HB PHE 91 2.756 -6.978 7.316 536 HD1 PHE 91 1HD PHE 91 2.837 -4.209 9.552 537 HD2 PHE 91 2HD PHE 91 3.978 -8.287 9.134 538 HE1 PHE 91 1HE PHE 91 3.014 -4.406 11.997 539 HE2 PHE 91 2HE PHE 91 4.155 -8.491 11.579 540 HZ PHE 91 HZ PHE 91 3.673 -6.550 13.015 541 H GLU 92 H GLU 92 6.266 -6.270 8.892 542 HA GLU 92 HA GLU 92 6.528 -3.643 9.786 543 1HB GLU 92 2HB GLU 92 7.437 -6.063 10.638 544 2HB GLU 92 1HB GLU 92 8.928 -5.337 10.055 545 1HG GLU 92 2HG GLU 92 7.698 -3.335 11.543 546 2HG GLU 92 1HG GLU 92 7.444 -4.814 12.468 547 H GLU 93 H GLU 93 8.453 -5.452 7.429 548 HA GLU 93 HA GLU 93 10.425 -3.504 6.994 549 1HB GLU 93 2HB GLU 93 9.819 -6.050 5.999 550 2HB GLU 93 1HB GLU 93 9.805 -4.998 4.591 551 1HG GLU 93 2HG GLU 93 11.997 -6.032 5.018 552 2HG GLU 93 1HG GLU 93 12.043 -4.270 5.040 553 H ALA 94 H ALA 94 7.283 -4.047 5.465 554 HA ALA 94 HA ALA 94 7.480 -2.181 3.401 555 1HB ALA 94 1HB ALA 94 5.663 -3.654 3.299 556 2HB ALA 94 2HB ALA 94 4.933 -2.084 3.638 557 3HB ALA 94 3HB ALA 94 5.137 -3.261 4.935 558 H ASN 95 H ASN 95 6.242 -1.766 6.711 559 HA ASN 95 HA ASN 95 5.582 0.955 6.469 560 1HB ASN 95 2HB ASN 95 6.219 -0.819 8.813 561 2HB ASN 95 1HB ASN 95 5.931 0.904 9.040 562 1HD2 ASN 95 1HD2 ASN 95 4.524 -2.054 7.754 563 2HD2 ASN 95 2HD2 ASN 95 2.871 -1.591 7.999 564 H GLN 96 H GLN 96 8.584 -0.688 7.225 565 HA GLN 96 HA GLN 96 10.042 1.516 8.144 566 1HB GLN 96 2HB GLN 96 10.863 -0.714 8.512 567 2HB GLN 96 1HB GLN 96 10.915 -1.033 6.784 568 1HG GLN 96 2HG GLN 96 13.027 -0.392 6.766 569 2HG GLN 96 1HG GLN 96 12.513 1.234 7.211 570 1HE2 GLN 96 1HE2 GLN 96 12.622 -1.853 8.958 571 2HE2 GLN 96 2HE2 GLN 96 13.567 -1.264 10.286 572 H LEU 97 H LEU 97 9.373 0.290 4.924 573 HA LEU 97 HA LEU 97 11.225 1.956 3.555 574 1HB LEU 97 2HB LEU 97 8.693 0.742 2.457 575 2HB LEU 97 1HB LEU 97 10.088 1.277 1.541 576 HG LEU 97 HG LEU 97 10.506 -0.854 3.576 577 1HD1 LEU 97 1HD1 LEU 97 9.432 -2.510 2.493 578 2HD1 LEU 97 2HD1 LEU 97 9.709 -1.796 0.903 579 3HD1 LEU 97 3HD1 LEU 97 8.404 -1.194 1.927 580 1HD2 LEU 97 1HD2 LEU 97 12.153 -1.606 1.979 581 2HD2 LEU 97 2HD2 LEU 97 12.363 0.119 2.275 582 3HD2 LEU 97 3HD2 LEU 97 11.585 -0.432 0.792 583 H LEU 98 H LEU 98 7.720 2.199 4.119 584 HA LEU 98 HA LEU 98 7.457 4.691 2.789 585 1HB LEU 98 2HB LEU 98 5.237 4.798 3.925 586 2HB LEU 98 1HB LEU 98 5.514 3.350 2.976 587 HG LEU 98 HG LEU 98 6.299 2.425 5.343 588 1HD1 LEU 98 1HD1 LEU 98 5.664 4.800 6.239 589 2HD1 LEU 98 2HD1 LEU 98 5.285 3.357 7.179 590 3HD1 LEU 98 3HD1 LEU 98 4.029 4.141 6.222 591 1HD2 LEU 98 1HD2 LEU 98 3.692 1.913 5.606 592 2HD2 LEU 98 2HD2 LEU 98 4.697 1.139 4.383 593 3HD2 LEU 98 3HD2 LEU 98 3.691 2.521 3.951 594 H ARG 99 H ARG 99 8.016 3.776 6.142 595 HA ARG 99 HA ARG 99 7.650 6.382 7.217 596 1HB ARG 99 2HB ARG 99 8.801 3.814 8.209 597 2HB ARG 99 1HB ARG 99 9.171 5.288 9.091 598 1HG ARG 99 2HG ARG 99 6.916 5.670 9.619 599 2HG ARG 99 1HG ARG 99 6.355 4.502 8.420 600 1HD ARG 99 2HD ARG 99 6.601 2.773 9.823 601 2HD ARG 99 1HD ARG 99 8.157 3.359 10.414 602 HE ARG 99 HE ARG 99 7.060 4.139 12.243 603 1HH1 ARG 99 1HH1 ARG 99 4.779 4.008 9.605 604 2HH1 ARG 99 2HH1 ARG 99 3.443 4.541 10.569 605 1HH2 ARG 99 1HH2 ARG 99 5.302 4.840 13.512 606 2HH2 ARG 99 2HH2 ARG 99 3.740 5.014 12.786 607 H ASP 100 H ASP 100 10.346 4.703 5.774 608 HA ASP 100 HA ASP 100 12.241 6.750 6.594 609 1HB ASP 100 2HB ASP 100 12.718 4.213 6.391 610 2HB ASP 100 1HB ASP 100 12.831 4.524 4.660 611 H SER 101 H SER 101 9.905 6.747 4.367 612 HA SER 101 HA SER 101 11.400 7.690 2.084 613 1HB SER 101 2HB SER 101 8.627 6.937 2.654 614 2HB SER 101 1HB SER 101 8.770 8.331 1.585 615 HG SER 101 HG SER 101 9.831 5.733 1.231 616 H SER 102 H SER 102 10.274 9.068 4.958 617 HA SER 102 HA SER 102 9.419 11.599 4.167 618 1HB SER 102 2HB SER 102 9.823 12.300 6.414 619 2HB SER 102 1HB SER 102 9.341 10.607 6.501 620 HG SER 102 HG SER 102 11.128 10.424 7.601 621 H ILE 103 H ILE 103 12.594 10.213 4.198 622 HA ILE 103 HA ILE 103 14.203 12.468 4.355 623 HB ILE 103 HB ILE 103 14.631 9.978 2.721 624 1HG1 ILE 103 2HG1 ILE 103 14.217 9.744 5.200 625 2HG1 ILE 103 1HG1 ILE 103 15.757 9.128 4.630 626 1HG2 ILE 103 1HG2 ILE 103 16.598 12.084 3.620 627 2HG2 ILE 103 2HG2 ILE 103 16.102 11.755 1.960 628 3HG2 ILE 103 3HG2 ILE 103 17.024 10.550 2.860 629 1HD1 ILE 103 1HD1 ILE 103 15.801 10.419 6.786 630 2HD1 ILE 103 2HD1 ILE 103 15.459 11.857 5.823 631 3HD1 ILE 103 3HD1 ILE 103 16.942 10.941 5.549 632 H THR 104 H THR 104 12.285 11.221 1.719 633 HA THR 104 HA THR 104 13.201 13.438 0.010 634 HB THR 104 HB THR 104 13.709 11.259 -0.959 635 HG1 THR 104 1HG THR 104 12.586 11.547 -2.921 636 1HG2 THR 104 1HG2 THR 104 12.102 9.631 -1.520 637 2HG2 THR 104 2HG2 THR 104 10.766 10.678 -1.041 638 3HG2 THR 104 3HG2 THR 104 11.851 10.014 0.182 639 H SER 105 H SER 105 10.681 12.422 1.917 640 HA SER 105 HA SER 105 8.587 13.229 2.266 641 1HB SER 105 2HB SER 105 9.657 15.423 1.595 642 2HB SER 105 1HB SER 105 9.049 15.132 -0.034 643 HG SER 105 HG SER 105 7.374 15.122 2.246 644 H LYS 106 H LYS 106 9.267 11.132 0.213 645 HA LYS 106 HA LYS 106 6.592 10.879 -0.837 646 1HB LYS 106 2HB LYS 106 7.588 12.212 -2.601 647 2HB LYS 106 1HB LYS 106 8.956 11.113 -2.705 648 1HG LYS 106 2HG LYS 106 7.641 9.403 -3.652 649 2HG LYS 106 1HG LYS 106 6.136 10.228 -3.237 650 1HD LYS 106 2HD LYS 106 8.125 11.537 -5.049 651 2HD LYS 106 1HD LYS 106 7.019 10.318 -5.682 652 1HE LYS 106 2HE LYS 106 5.448 11.877 -5.858 653 2HE LYS 106 1HE LYS 106 5.474 12.069 -4.106 654 1HZ LYS 106 1HZ LYS 106 5.995 14.051 -5.759 655 2HZ LYS 106 2HZ LYS 106 7.562 13.435 -5.615 656 3HZ LYS 106 3HZ LYS 106 6.722 13.934 -4.236 657 H VAL 107 H VAL 107 6.077 8.787 -1.524 658 HA VAL 107 HA VAL 107 8.134 6.728 -1.282 659 HB VAL 107 HB VAL 107 7.131 6.955 0.972 660 1HG1 VAL 107 1HG1 VAL 107 4.842 6.377 1.390 661 2HG1 VAL 107 2HG1 VAL 107 4.576 6.010 -0.314 662 3HG1 VAL 107 3HG1 VAL 107 4.884 7.672 0.193 663 1HG2 VAL 107 1HG2 VAL 107 6.246 4.456 0.975 664 2HG2 VAL 107 2HG2 VAL 107 7.953 4.842 0.753 665 3HG2 VAL 107 3HG2 VAL 107 6.943 4.475 -0.646 666 H THR 108 H THR 108 7.834 5.025 -2.625 667 HA THR 108 HA THR 108 5.345 4.999 -4.203 668 HB THR 108 HB THR 108 7.182 3.489 -5.621 669 HG1 THR 108 1HG THR 108 9.073 4.116 -5.009 670 1HG2 THR 108 1HG2 THR 108 5.906 4.915 -6.892 671 2HG2 THR 108 2HG2 THR 108 7.490 5.684 -6.960 672 3HG2 THR 108 3HG2 THR 108 6.252 6.310 -5.871 673 H LEU 109 H LEU 109 4.017 3.421 -3.595 674 HA LEU 109 HA LEU 109 5.201 0.885 -2.681 675 1HB LEU 109 2HB LEU 109 2.530 0.893 -1.873 676 2HB LEU 109 1HB LEU 109 3.945 1.094 -0.864 677 HG LEU 109 HG LEU 109 3.586 3.650 -1.718 678 1HD1 LEU 109 1HD1 LEU 109 1.606 3.644 -2.825 679 2HD1 LEU 109 2HD1 LEU 109 0.986 3.819 -1.184 680 3HD1 LEU 109 3HD1 LEU 109 0.997 2.233 -1.958 681 1HD2 LEU 109 1HD2 LEU 109 2.015 2.650 0.619 682 2HD2 LEU 109 2HD2 LEU 109 2.984 4.114 0.463 683 3HD2 LEU 109 3HD2 LEU 109 3.776 2.546 0.622 684 H GLU 110 H GLU 110 4.882 -0.851 -3.869 685 HA GLU 110 HA GLU 110 2.853 -0.764 -5.989 686 1HB GLU 110 2HB GLU 110 5.425 -1.325 -6.301 687 2HB GLU 110 1HB GLU 110 4.901 -2.931 -5.815 688 1HG GLU 110 2HG GLU 110 3.432 -3.108 -7.663 689 2HG GLU 110 1HG GLU 110 3.629 -1.403 -8.065 690 H ILE 111 H ILE 111 0.970 -1.537 -5.224 691 HA ILE 111 HA ILE 111 1.026 -3.958 -3.581 692 HB ILE 111 HB ILE 111 -1.164 -3.335 -2.791 693 1HG1 ILE 111 2HG1 ILE 111 -1.795 -2.124 -4.950 694 2HG1 ILE 111 1HG1 ILE 111 -2.378 -1.436 -3.439 695 1HG2 ILE 111 1HG2 ILE 111 0.453 -0.849 -2.484 696 2HG2 ILE 111 2HG2 ILE 111 1.039 -2.381 -1.845 697 3HG2 ILE 111 3HG2 ILE 111 -0.495 -1.724 -1.284 698 1HD1 ILE 111 1HD1 ILE 111 -0.056 -0.081 -3.751 699 2HD1 ILE 111 2HD1 ILE 111 -1.629 0.477 -4.318 700 3HD1 ILE 111 3HD1 ILE 111 -0.531 -0.337 -5.428 701 H GLU 112 H GLU 112 -0.844 -5.417 -3.833 702 HA GLU 112 HA GLU 112 -1.486 -5.754 -6.680 703 1HB GLU 112 2HB GLU 112 -0.272 -7.593 -5.408 704 2HB GLU 112 1HB GLU 112 -1.760 -7.828 -4.502 705 1HG GLU 112 2HG GLU 112 -2.894 -8.162 -6.751 706 2HG GLU 112 1HG GLU 112 -1.270 -8.278 -7.426 707 H PHE 113 H PHE 113 -3.473 -5.243 -7.299 708 HA PHE 113 HA PHE 113 -5.598 -5.158 -5.267 709 1HB PHE 113 2HB PHE 113 -6.707 -3.516 -6.662 710 2HB PHE 113 1HB PHE 113 -5.042 -3.012 -6.390 711 HD1 PHE 113 1HD PHE 113 -7.409 -4.364 -8.845 712 HD2 PHE 113 2HD PHE 113 -3.478 -2.877 -8.191 713 HE1 PHE 113 1HE PHE 113 -7.075 -4.194 -11.276 714 HE2 PHE 113 2HE PHE 113 -3.135 -2.701 -10.619 715 HZ PHE 113 HZ PHE 113 -4.936 -3.364 -12.166 716 H ASP 114 H ASP 114 -7.502 -6.205 -5.564 717 HA ASP 114 HA ASP 114 -7.721 -7.911 -7.956 718 1HB ASP 114 2HB ASP 114 -8.613 -8.461 -5.117 719 2HB ASP 114 1HB ASP 114 -9.028 -9.477 -6.495 720 H VAL 115 H VAL 115 -9.036 -6.672 -9.206 721 HA VAL 115 HA VAL 115 -11.267 -5.220 -8.190 722 HB VAL 115 HB VAL 115 -11.041 -6.020 -11.070 723 1HG1 VAL 115 1HG1 VAL 115 -12.371 -4.241 -11.481 724 2HG1 VAL 115 2HG1 VAL 115 -11.632 -3.259 -10.216 725 3HG1 VAL 115 3HG1 VAL 115 -12.833 -4.480 -9.797 726 1HG2 VAL 115 1HG2 VAL 115 -9.590 -3.908 -11.293 727 2HG2 VAL 115 2HG2 VAL 115 -8.818 -5.390 -10.730 728 3HG2 VAL 115 3HG2 VAL 115 -9.254 -4.129 -9.576 729 H ALA 116 H ALA 116 -13.447 -5.667 -8.303 730 HA ALA 116 HA ALA 116 -14.305 -8.258 -9.335 731 1HB ALA 116 1HB ALA 116 -15.678 -8.383 -7.069 732 2HB ALA 116 2HB ALA 116 -14.281 -7.490 -6.470 733 3HB ALA 116 3HB ALA 116 -14.061 -9.070 -7.223 734 H GLU 117 H GLU 117 -14.839 -5.894 -10.534 735 HA GLU 117 HA GLU 117 -17.725 -5.665 -10.138 736 1HB GLU 117 2HB GLU 117 -15.837 -3.307 -10.246 737 2HB GLU 117 1HB GLU 117 -17.588 -3.187 -10.365 738 1HG GLU 117 2HG GLU 117 -17.340 -4.599 -8.076 739 2HG GLU 117 1HG GLU 117 -15.875 -3.621 -8.023 740 H SER 118 H SER 118 -17.046 -7.137 -12.103 741 HA SER 118 HA SER 118 -17.616 -5.569 -14.463 742 1HB SER 118 2HB SER 118 -15.701 -6.653 -15.737 743 2HB SER 118 1HB SER 118 -15.239 -5.403 -14.583 744 HG SER 118 HG SER 118 -14.619 -7.005 -13.141 Start of MODEL 12 1 1H GLN 18 1HT GLN 18 -6.961 -15.941 -15.942 2 2H GLN 18 2HT GLN 18 -8.080 -16.901 -15.064 3 3H GLN 18 3HT GLN 18 -7.040 -15.817 -14.234 4 HA GLN 18 HA GLN 18 -9.026 -14.962 -16.221 5 1HB GLN 18 2HB GLN 18 -9.247 -15.202 -13.212 6 2HB GLN 18 1HB GLN 18 -10.399 -14.347 -14.230 7 1HG GLN 18 2HG GLN 18 -10.076 -16.943 -15.305 8 2HG GLN 18 1HG GLN 18 -10.303 -17.108 -13.565 9 1HE2 GLN 18 1HE2 GLN 18 -12.148 -15.887 -12.645 10 2HE2 GLN 18 2HE2 GLN 18 -13.604 -15.797 -13.582 11 H VAL 19 H VAL 19 -8.784 -12.880 -16.723 12 HA VAL 19 HA VAL 19 -6.754 -11.325 -15.341 13 HB VAL 19 HB VAL 19 -8.384 -10.529 -17.754 14 1HG1 VAL 19 1HG1 VAL 19 -6.169 -9.311 -16.235 15 2HG1 VAL 19 2HG1 VAL 19 -7.442 -8.555 -17.192 16 3HG1 VAL 19 3HG1 VAL 19 -6.031 -9.245 -17.992 17 1HG2 VAL 19 1HG2 VAL 19 -5.959 -11.119 -18.760 18 2HG2 VAL 19 2HG2 VAL 19 -7.302 -12.262 -18.717 19 3HG2 VAL 19 3HG2 VAL 19 -6.057 -12.318 -17.470 20 H VAL 20 H VAL 20 -8.664 -11.620 -13.557 21 HA VAL 20 HA VAL 20 -9.836 -8.952 -13.371 22 HB VAL 20 HB VAL 20 -11.489 -11.409 -12.787 23 1HG1 VAL 20 1HG1 VAL 20 -12.132 -9.502 -11.466 24 2HG1 VAL 20 2HG1 VAL 20 -13.341 -9.760 -12.724 25 3HG1 VAL 20 3HG1 VAL 20 -12.152 -8.470 -12.895 26 1HG2 VAL 20 1HG2 VAL 20 -11.396 -9.666 -15.235 27 2HG2 VAL 20 2HG2 VAL 20 -12.801 -10.645 -14.819 28 3HG2 VAL 20 3HG2 VAL 20 -11.250 -11.420 -15.132 29 H HIS 21 H HIS 21 -10.419 -8.342 -11.208 30 HA HIS 21 HA HIS 21 -9.760 -8.054 -9.042 31 1HB HIS 21 2HB HIS 21 -10.285 -10.050 -7.599 32 2HB HIS 21 1HB HIS 21 -11.592 -9.505 -8.644 33 HD1 HIS 21 1HD HIS 21 -12.473 -11.146 -10.362 34 HD2 HIS 21 2HD HIS 21 -9.073 -12.509 -8.398 35 HE1 HIS 21 1HE HIS 21 -12.237 -13.561 -11.022 36 HE2 HIS 21 2HE HIS 21 -10.195 -14.376 -9.794 37 H THR 22 H THR 22 -7.479 -7.932 -10.092 38 HA THR 22 HA THR 22 -5.585 -8.771 -8.324 39 HB THR 22 HB THR 22 -4.570 -10.615 -10.068 40 HG1 THR 22 1HG THR 22 -7.151 -11.589 -9.829 41 1HG2 THR 22 1HG2 THR 22 -5.887 -12.276 -8.403 42 2HG2 THR 22 2HG2 THR 22 -5.948 -10.772 -7.485 43 3HG2 THR 22 3HG2 THR 22 -4.395 -11.432 -7.994 44 H GLU 23 H GLU 23 -4.482 -6.946 -8.780 45 HA GLU 23 HA GLU 23 -2.809 -6.924 -11.106 46 1HB GLU 23 2HB GLU 23 -5.038 -4.918 -10.854 47 2HB GLU 23 1HB GLU 23 -3.604 -4.614 -11.822 48 1HG GLU 23 2HG GLU 23 -4.235 -6.919 -12.894 49 2HG GLU 23 1HG GLU 23 -5.837 -6.519 -12.275 50 H THR 24 H THR 24 -1.037 -5.592 -10.871 51 HA THR 24 HA THR 24 -0.672 -4.498 -8.195 52 HB THR 24 HB THR 24 1.709 -4.317 -8.844 53 HG1 THR 24 1HG THR 24 2.081 -4.223 -10.895 54 1HG2 THR 24 1HG2 THR 24 0.591 -6.532 -8.051 55 2HG2 THR 24 2HG2 THR 24 2.247 -6.533 -8.658 56 3HG2 THR 24 3HG2 THR 24 0.924 -7.055 -9.701 57 H THR 25 H THR 25 -0.740 -2.377 -7.754 58 HA THR 25 HA THR 25 -0.659 -0.512 -10.042 59 HB THR 25 HB THR 25 -2.846 -0.380 -9.148 60 HG1 THR 25 1HG THR 25 -1.451 1.689 -7.819 61 1HG2 THR 25 1HG2 THR 25 -1.663 -1.129 -6.702 62 2HG2 THR 25 2HG2 THR 25 -3.375 -0.974 -7.097 63 3HG2 THR 25 3HG2 THR 25 -2.486 0.410 -6.458 64 H GLU 26 H GLU 26 0.680 1.182 -9.989 65 HA GLU 26 HA GLU 26 2.564 1.329 -7.755 66 1HB GLU 26 2HB GLU 26 3.141 1.224 -10.344 67 2HB GLU 26 1HB GLU 26 2.893 2.960 -10.233 68 1HG GLU 26 2HG GLU 26 4.535 2.227 -8.064 69 2HG GLU 26 1HG GLU 26 5.170 1.416 -9.493 70 H VAL 27 H VAL 27 1.643 2.548 -6.205 71 HA VAL 27 HA VAL 27 0.511 5.144 -6.958 72 HB VAL 27 HB VAL 27 -0.103 4.868 -4.326 73 1HG1 VAL 27 1HG1 VAL 27 -1.740 5.541 -5.869 74 2HG1 VAL 27 2HG1 VAL 27 -2.348 4.032 -5.190 75 3HG1 VAL 27 3HG1 VAL 27 -1.605 4.043 -6.788 76 1HG2 VAL 27 1HG2 VAL 27 -0.919 2.600 -3.947 77 2HG2 VAL 27 2HG2 VAL 27 0.826 2.612 -4.202 78 3HG2 VAL 27 3HG2 VAL 27 -0.251 2.097 -5.500 79 H VAL 28 H VAL 28 1.525 6.968 -6.417 80 HA VAL 28 HA VAL 28 3.979 6.773 -4.851 81 HB VAL 28 HB VAL 28 2.940 9.182 -6.341 82 1HG1 VAL 28 1HG1 VAL 28 5.778 8.507 -5.611 83 2HG1 VAL 28 2HG1 VAL 28 4.720 9.445 -4.556 84 3HG1 VAL 28 3HG1 VAL 28 5.127 10.051 -6.162 85 1HG2 VAL 28 1HG2 VAL 28 4.231 6.727 -7.319 86 2HG2 VAL 28 2HG2 VAL 28 4.950 8.234 -7.888 87 3HG2 VAL 28 3HG2 VAL 28 3.240 7.910 -8.174 88 H LEU 29 H LEU 29 3.997 7.287 -2.759 89 HA LEU 29 HA LEU 29 1.893 9.069 -1.743 90 1HB LEU 29 2HB LEU 29 2.965 6.551 -0.799 91 2HB LEU 29 1HB LEU 29 3.083 7.789 0.436 92 HG LEU 29 HG LEU 29 1.019 6.546 0.693 93 1HD1 LEU 29 1HD1 LEU 29 0.472 8.577 1.485 94 2HD1 LEU 29 2HD1 LEU 29 -0.555 8.643 0.052 95 3HD1 LEU 29 3HD1 LEU 29 1.034 9.411 0.037 96 1HD2 LEU 29 1HD2 LEU 29 0.554 7.338 -2.170 97 2HD2 LEU 29 2HD2 LEU 29 -0.742 6.802 -1.102 98 3HD2 LEU 29 3HD2 LEU 29 0.595 5.716 -1.477 99 H THR 30 H THR 30 2.489 11.005 -1.048 100 HA THR 30 HA THR 30 5.336 11.480 -0.506 101 HB THR 30 HB THR 30 3.178 13.509 -1.115 102 HG1 THR 30 1HG THR 30 3.442 12.515 -3.000 103 1HG2 THR 30 1HG2 THR 30 4.833 15.121 -1.349 104 2HG2 THR 30 2HG2 THR 30 6.127 13.922 -1.399 105 3HG2 THR 30 3HG2 THR 30 5.290 14.255 0.118 106 H ALA 31 H ALA 31 6.013 12.411 1.390 107 HA ALA 31 HA ALA 31 4.249 12.134 3.643 108 1HB ALA 31 1HB ALA 31 6.470 11.449 4.021 109 2HB ALA 31 2HB ALA 31 6.285 12.960 4.915 110 3HB ALA 31 3HB ALA 31 7.128 12.949 3.367 111 H ASP 32 H ASP 32 3.273 13.692 4.819 112 HA ASP 32 HA ASP 32 3.482 16.442 3.804 113 1HB ASP 32 2HB ASP 32 1.250 14.887 4.177 114 2HB ASP 32 1HB ASP 32 1.282 15.843 5.656 115 HA PRO 33 HA PRO 33 5.354 17.627 7.640 116 1HB PRO 33 2HB PRO 33 5.108 20.296 7.449 117 2HB PRO 33 1HB PRO 33 6.192 19.384 6.390 118 1HG PRO 33 2HG PRO 33 3.443 20.436 5.834 119 2HG PRO 33 1HG PRO 33 4.884 20.474 4.802 120 1HD PRO 33 2HD PRO 33 2.882 18.635 4.534 121 2HD PRO 33 1HD PRO 33 4.568 18.325 4.072 122 H VAL 34 H VAL 34 2.944 16.589 8.247 123 HA VAL 34 HA VAL 34 2.032 18.334 10.364 124 HB VAL 34 HB VAL 34 0.012 17.333 8.354 125 1HG1 VAL 34 1HG1 VAL 34 -1.616 18.487 9.615 126 2HG1 VAL 34 2HG1 VAL 34 -0.394 19.319 10.575 127 3HG1 VAL 34 3HG1 VAL 34 -0.653 17.587 10.787 128 1HG2 VAL 34 1HG2 VAL 34 -0.292 19.743 7.799 129 2HG2 VAL 34 2HG2 VAL 34 1.266 19.084 7.302 130 3HG2 VAL 34 3HG2 VAL 34 1.154 20.095 8.744 131 H THR 35 H THR 35 0.810 15.465 8.625 132 HA THR 35 HA THR 35 0.813 14.029 11.199 133 HB THR 35 HB THR 35 -1.437 14.303 10.367 134 HG1 THR 35 1HG THR 35 -0.563 11.667 9.807 135 1HG2 THR 35 1HG2 THR 35 -2.192 13.437 8.249 136 2HG2 THR 35 2HG2 THR 35 -0.551 12.937 7.838 137 3HG2 THR 35 3HG2 THR 35 -0.939 14.650 7.992 138 H GLY 36 H GLY 36 1.349 13.668 7.710 139 1HA GLY 36 2HA GLY 36 3.481 12.532 7.123 140 2HA GLY 36 1HA GLY 36 3.042 11.322 8.320 141 H PHE 37 H PHE 37 2.183 9.521 7.541 142 HA PHE 37 HA PHE 37 0.860 9.636 4.912 143 1HB PHE 37 2HB PHE 37 2.485 7.444 6.203 144 2HB PHE 37 1HB PHE 37 1.473 7.172 4.788 145 HD1 PHE 37 1HD PHE 37 1.883 8.993 2.860 146 HD2 PHE 37 2HD PHE 37 4.706 7.839 5.828 147 HE1 PHE 37 1HE PHE 37 3.716 9.745 1.403 148 HE2 PHE 37 2HE PHE 37 6.546 8.592 4.376 149 HZ PHE 37 HZ PHE 37 6.052 9.545 2.158 150 H GLY 38 H GLY 38 0.626 8.556 8.218 151 1HA GLY 38 2HA GLY 38 -1.112 7.668 9.426 152 2HA GLY 38 1HA GLY 38 -2.154 8.456 8.253 153 H ILE 39 H ILE 39 0.111 6.057 7.188 154 HA ILE 39 HA ILE 39 -2.053 4.070 7.018 155 HB ILE 39 HB ILE 39 -1.795 5.145 4.827 156 1HG1 ILE 39 2HG1 ILE 39 -0.706 2.709 3.886 157 2HG1 ILE 39 1HG1 ILE 39 -1.556 2.333 5.386 158 1HG2 ILE 39 1HG2 ILE 39 0.856 3.961 4.334 159 2HG2 ILE 39 2HG2 ILE 39 0.822 5.373 5.389 160 3HG2 ILE 39 3HG2 ILE 39 0.160 5.475 3.758 161 1HD1 ILE 39 1HD1 ILE 39 -3.368 2.194 4.103 162 2HD1 ILE 39 2HD1 ILE 39 -2.599 3.050 2.766 163 3HD1 ILE 39 3HD1 ILE 39 -3.334 3.957 4.088 164 H GLN 40 H GLN 40 -1.472 1.966 7.356 165 HA GLN 40 HA GLN 40 1.373 1.336 7.651 166 1HB GLN 40 2HB GLN 40 -0.697 1.273 9.783 167 2HB GLN 40 1HB GLN 40 0.463 -0.047 9.750 168 1HG GLN 40 2HG GLN 40 1.932 1.223 10.795 169 2HG GLN 40 1HG GLN 40 1.917 2.352 9.441 170 1HE2 GLN 40 1HE2 GLN 40 0.540 4.157 9.523 171 2HE2 GLN 40 2HE2 GLN 40 -0.082 4.748 11.030 172 H LEU 41 H LEU 41 1.745 -1.033 7.887 173 HA LEU 41 HA LEU 41 -0.276 -2.550 6.370 174 1HB LEU 41 2HB LEU 41 2.576 -3.397 6.359 175 2HB LEU 41 1HB LEU 41 1.352 -3.582 5.120 176 HG LEU 41 HG LEU 41 2.926 -2.077 4.230 177 1HD1 LEU 41 1HD1 LEU 41 0.299 -1.194 4.827 178 2HD1 LEU 41 2HD1 LEU 41 1.326 -0.755 3.463 179 3HD1 LEU 41 3HD1 LEU 41 1.380 0.192 4.949 180 1HD2 LEU 41 1HD2 LEU 41 4.109 -0.502 5.360 181 2HD2 LEU 41 2HD2 LEU 41 3.744 -1.582 6.705 182 3HD2 LEU 41 3HD2 LEU 41 2.780 -0.127 6.457 183 H GLN 42 H GLN 42 -0.304 -4.886 6.788 184 HA GLN 42 HA GLN 42 0.999 -6.055 8.994 185 1HB GLN 42 2HB GLN 42 -1.010 -6.270 10.489 186 2HB GLN 42 1HB GLN 42 -0.319 -4.655 10.407 187 1HG GLN 42 2HG GLN 42 -2.359 -3.913 9.984 188 2HG GLN 42 1HG GLN 42 -2.223 -4.674 8.399 189 1HE2 GLN 42 1HE2 GLN 42 -3.775 -6.029 7.888 190 2HE2 GLN 42 2HE2 GLN 42 -4.786 -6.896 9.001 191 H GLY 43 H GLY 43 -0.164 -8.157 9.665 192 1HA GLY 43 2HA GLY 43 -1.285 -10.104 9.099 193 2HA GLY 43 1HA GLY 43 -2.011 -9.251 7.745 194 H SER 44 H SER 44 1.017 -10.725 8.843 195 HA SER 44 HA SER 44 1.804 -11.120 6.046 196 1HB SER 44 2HB SER 44 4.022 -11.340 6.775 197 2HB SER 44 1HB SER 44 3.367 -10.106 7.852 198 HG SER 44 HG SER 44 3.519 -11.443 9.491 199 H VAL 45 H VAL 45 3.434 -13.302 6.265 200 HA VAL 45 HA VAL 45 1.644 -15.437 6.023 201 HB VAL 45 HB VAL 45 4.591 -15.707 6.584 202 1HG1 VAL 45 1HG1 VAL 45 3.917 -17.867 6.552 203 2HG1 VAL 45 2HG1 VAL 45 4.008 -17.631 4.807 204 3HG1 VAL 45 3HG1 VAL 45 2.455 -17.511 5.635 205 1HG2 VAL 45 1HG2 VAL 45 4.498 -14.170 4.807 206 2HG2 VAL 45 2HG2 VAL 45 3.147 -15.007 4.043 207 3HG2 VAL 45 3HG2 VAL 45 4.751 -15.739 4.042 208 H PHE 46 H PHE 46 3.034 -14.057 8.800 209 HA PHE 46 HA PHE 46 2.099 -16.333 10.416 210 1HB PHE 46 2HB PHE 46 4.733 -15.271 10.267 211 2HB PHE 46 1HB PHE 46 4.087 -14.854 11.850 212 HD1 PHE 46 1HD PHE 46 2.620 -16.987 12.824 213 HD2 PHE 46 2HD PHE 46 6.023 -17.153 10.274 214 HE1 PHE 46 1HE PHE 46 3.103 -19.264 13.624 215 HE2 PHE 46 2HE PHE 46 6.512 -19.430 11.068 216 HZ PHE 46 HZ PHE 46 5.050 -20.488 12.745 217 H ALA 47 H ALA 47 0.076 -15.258 10.625 218 HA ALA 47 HA ALA 47 0.161 -12.936 12.440 219 1HB ALA 47 1HB ALA 47 -2.062 -13.477 10.489 220 2HB ALA 47 2HB ALA 47 -0.669 -12.469 10.098 221 3HB ALA 47 3HB ALA 47 -1.752 -12.007 11.411 222 H THR 48 H THR 48 -0.904 -13.127 14.317 223 HA THR 48 HA THR 48 -2.024 -15.625 15.055 224 HB THR 48 HB THR 48 -2.287 -14.684 17.241 225 HG1 THR 48 1HG THR 48 -3.228 -12.730 16.820 226 1HG2 THR 48 1HG2 THR 48 0.171 -13.561 15.926 227 2HG2 THR 48 2HG2 THR 48 0.016 -15.092 16.787 228 3HG2 THR 48 3HG2 THR 48 -0.113 -13.568 17.666 229 H GLU 49 H GLU 49 -3.623 -15.327 13.134 230 HA GLU 49 HA GLU 49 -6.206 -15.041 14.219 231 1HB GLU 49 2HB GLU 49 -5.202 -12.590 13.717 232 2HB GLU 49 1HB GLU 49 -5.888 -12.955 12.139 233 1HG GLU 49 2HG GLU 49 -7.364 -12.976 14.762 234 2HG GLU 49 1HG GLU 49 -7.461 -11.729 13.520 235 H THR 50 H THR 50 -4.694 -16.903 12.647 236 HA THR 50 HA THR 50 -4.879 -18.263 10.832 237 HB THR 50 HB THR 50 -7.703 -17.261 10.638 238 HG1 THR 50 1HG THR 50 -7.767 -17.862 12.663 239 1HG2 THR 50 1HG2 THR 50 -6.269 -19.488 9.486 240 2HG2 THR 50 2HG2 THR 50 -7.861 -18.840 9.091 241 3HG2 THR 50 3HG2 THR 50 -7.684 -20.004 10.403 242 H LEU 51 H LEU 51 -3.427 -16.944 9.592 243 HA LEU 51 HA LEU 51 -4.670 -15.975 7.159 244 1HB LEU 51 2HB LEU 51 -4.564 -14.003 8.692 245 2HB LEU 51 1HB LEU 51 -2.819 -14.182 8.728 246 HG LEU 51 HG LEU 51 -4.346 -13.728 6.169 247 1HD1 LEU 51 1HD1 LEU 51 -4.599 -11.909 7.973 248 2HD1 LEU 51 2HD1 LEU 51 -4.081 -11.429 6.356 249 3HD1 LEU 51 3HD1 LEU 51 -2.897 -11.572 7.656 250 1HD2 LEU 51 1HD2 LEU 51 -1.855 -12.670 5.881 251 2HD2 LEU 51 2HD2 LEU 51 -2.323 -14.292 5.373 252 3HD2 LEU 51 3HD2 LEU 51 -1.530 -14.050 6.930 253 H SER 52 H SER 52 -3.438 -16.361 5.405 254 HA SER 52 HA SER 52 -0.590 -16.939 5.794 255 1HB SER 52 2HB SER 52 -2.262 -18.632 3.968 256 2HB SER 52 1HB SER 52 -0.665 -18.967 4.634 257 HG SER 52 HG SER 52 -1.544 -19.589 6.486 258 H SER 53 H SER 53 0.124 -15.150 4.780 259 HA SER 53 HA SER 53 0.500 -15.064 2.069 260 1HB SER 53 2HB SER 53 -2.165 -14.303 2.701 261 2HB SER 53 1HB SER 53 -1.311 -12.848 2.191 262 HG SER 53 HG SER 53 -0.568 -14.262 0.372 263 HA PRO 54 HA PRO 54 3.350 -11.892 3.161 264 1HB PRO 54 2HB PRO 54 2.393 -10.354 0.796 265 2HB PRO 54 1HB PRO 54 4.034 -10.841 1.232 266 1HG PRO 54 2HG PRO 54 2.717 -12.101 -0.709 267 2HG PRO 54 1HG PRO 54 3.754 -12.996 0.418 268 1HD PRO 54 2HD PRO 54 0.775 -12.796 0.327 269 2HD PRO 54 1HD PRO 54 1.801 -14.182 0.748 270 HA PRO 55 HA PRO 55 1.260 -8.603 5.237 271 1HB PRO 55 2HB PRO 55 2.954 -6.491 4.978 272 2HB PRO 55 1HB PRO 55 3.277 -7.864 6.044 273 1HG PRO 55 2HG PRO 55 4.326 -7.313 3.294 274 2HG PRO 55 1HG PRO 55 5.190 -7.917 4.721 275 1HD PRO 55 2HD PRO 55 4.363 -9.551 2.733 276 2HD PRO 55 1HD PRO 55 4.421 -10.074 4.429 277 H LEU 56 H LEU 56 -0.344 -7.195 4.788 278 HA LEU 56 HA LEU 56 -0.222 -5.708 2.257 279 1HB LEU 56 2HB LEU 56 -2.707 -6.112 2.031 280 2HB LEU 56 1HB LEU 56 -1.662 -7.474 1.693 281 HG LEU 56 HG LEU 56 -3.692 -8.106 2.939 282 1HD1 LEU 56 1HD1 LEU 56 -1.703 -8.658 4.993 283 2HD1 LEU 56 2HD1 LEU 56 -1.127 -8.969 3.357 284 3HD1 LEU 56 3HD1 LEU 56 -2.590 -9.761 3.940 285 1HD2 LEU 56 1HD2 LEU 56 -3.580 -5.852 4.262 286 2HD2 LEU 56 2HD2 LEU 56 -2.615 -6.802 5.389 287 3HD2 LEU 56 3HD2 LEU 56 -4.262 -7.297 5.006 288 H ILE 57 H ILE 57 -1.464 -3.770 2.188 289 HA ILE 57 HA ILE 57 -1.324 -2.224 4.519 290 HB ILE 57 HB ILE 57 -3.026 -1.705 2.076 291 1HG1 ILE 57 2HG1 ILE 57 -0.377 -0.408 2.504 292 2HG1 ILE 57 1HG1 ILE 57 -0.389 -2.084 1.964 293 1HG2 ILE 57 1HG2 ILE 57 -2.847 0.652 2.720 294 2HG2 ILE 57 2HG2 ILE 57 -1.959 0.184 4.172 295 3HG2 ILE 57 3HG2 ILE 57 -3.642 -0.304 3.972 296 1HD1 ILE 57 1HD1 ILE 57 -1.590 -1.513 -0.010 297 2HD1 ILE 57 2HD1 ILE 57 -0.236 -0.393 0.143 298 3HD1 ILE 57 3HD1 ILE 57 -1.866 0.131 0.568 299 H SER 58 H SER 58 -2.887 -1.485 5.967 300 HA SER 58 HA SER 58 -5.636 -2.223 5.738 301 1HB SER 58 2HB SER 58 -3.799 -3.893 7.394 302 2HB SER 58 1HB SER 58 -5.416 -3.565 8.018 303 HG SER 58 HG SER 58 -4.828 -4.668 5.468 304 H TYR 59 H TYR 59 -4.433 0.233 6.107 305 HA TYR 59 HA TYR 59 -5.818 1.175 8.388 306 1HB TYR 59 2HB TYR 59 -3.882 0.250 9.575 307 2HB TYR 59 1HB TYR 59 -2.801 1.223 8.583 308 HD1 TYR 59 1HD TYR 59 -2.931 3.740 8.767 309 HD2 TYR 59 2HD TYR 59 -4.882 1.144 11.515 310 HE1 TYR 59 1HE TYR 59 -3.114 5.592 10.376 311 HE2 TYR 59 2HE TYR 59 -5.070 2.989 13.131 312 HH TYR 59 HH TYR 59 -5.056 5.389 13.198 313 H ILE 60 H ILE 60 -6.340 3.238 8.142 314 HA ILE 60 HA ILE 60 -4.673 5.072 6.644 315 HB ILE 60 HB ILE 60 -7.461 5.128 5.677 316 1HG1 ILE 60 2HG1 ILE 60 -5.553 3.010 4.657 317 2HG1 ILE 60 1HG1 ILE 60 -6.948 2.680 5.677 318 1HG2 ILE 60 1HG2 ILE 60 -6.291 5.626 3.549 319 2HG2 ILE 60 2HG2 ILE 60 -4.753 5.399 4.381 320 3HG2 ILE 60 3HG2 ILE 60 -5.834 6.705 4.867 321 1HD1 ILE 60 1HD1 ILE 60 -8.371 3.706 3.887 322 2HD1 ILE 60 2HD1 ILE 60 -7.573 2.195 3.451 323 3HD1 ILE 60 3HD1 ILE 60 -6.933 3.730 2.866 324 H GLU 61 H GLU 61 -5.304 7.305 6.960 325 HA GLU 61 HA GLU 61 -6.956 7.609 9.373 326 1HB GLU 61 2HB GLU 61 -4.468 8.781 8.471 327 2HB GLU 61 1HB GLU 61 -5.642 10.032 8.864 328 1HG GLU 61 2HG GLU 61 -5.982 8.629 11.034 329 2HG GLU 61 1HG GLU 61 -4.397 7.977 10.626 330 H ALA 62 H ALA 62 -8.371 9.403 9.576 331 HA ALA 62 HA ALA 62 -9.822 9.924 7.135 332 1HB ALA 62 1HB ALA 62 -11.167 11.346 8.966 333 2HB ALA 62 2HB ALA 62 -10.327 10.217 10.029 334 3HB ALA 62 3HB ALA 62 -11.376 9.608 8.750 335 H ASP 63 H ASP 63 -7.278 11.021 7.130 336 HA ASP 63 HA ASP 63 -7.648 13.545 6.134 337 1HB ASP 63 2HB ASP 63 -7.821 13.641 8.930 338 2HB ASP 63 1HB ASP 63 -6.209 14.241 8.552 339 H SER 64 H SER 64 -6.083 11.075 5.847 340 HA SER 64 HA SER 64 -3.386 12.260 5.774 341 1HB SER 64 2HB SER 64 -4.318 9.593 6.673 342 2HB SER 64 1HB SER 64 -2.839 9.615 5.714 343 HG SER 64 HG SER 64 -1.862 10.856 7.229 344 HA PRO 65 HA PRO 65 -3.333 12.044 1.371 345 1HB PRO 65 2HB PRO 65 -0.734 10.625 1.832 346 2HB PRO 65 1HB PRO 65 -1.109 11.937 0.707 347 1HG PRO 65 2HG PRO 65 0.155 12.436 2.997 348 2HG PRO 65 1HG PRO 65 -1.069 13.553 2.370 349 1HD PRO 65 2HD PRO 65 -1.225 11.666 4.656 350 2HD PRO 65 1HD PRO 65 -2.077 13.200 4.395 351 H ALA 66 H ALA 66 -2.628 9.173 3.281 352 HA ALA 66 HA ALA 66 -2.811 7.269 1.214 353 1HB ALA 66 1HB ALA 66 -3.281 5.654 3.049 354 2HB ALA 66 2HB ALA 66 -3.363 7.015 4.166 355 3HB ALA 66 3HB ALA 66 -1.856 6.654 3.326 356 H GLU 67 H GLU 67 -5.234 8.719 3.325 357 HA GLU 67 HA GLU 67 -7.398 7.124 2.308 358 1HB GLU 67 2HB GLU 67 -6.982 9.032 4.431 359 2HB GLU 67 1HB GLU 67 -8.428 9.451 3.525 360 1HG GLU 67 2HG GLU 67 -7.832 6.911 4.999 361 2HG GLU 67 1HG GLU 67 -9.116 8.076 5.300 362 H ARG 68 H ARG 68 -6.489 10.545 2.069 363 HA ARG 68 HA ARG 68 -8.479 11.160 0.133 364 1HB ARG 68 2HB ARG 68 -6.996 13.272 -0.143 365 2HB ARG 68 1HB ARG 68 -7.863 13.013 1.363 366 1HG ARG 68 2HG ARG 68 -5.265 11.789 1.474 367 2HG ARG 68 1HG ARG 68 -5.138 13.488 1.026 368 1HD ARG 68 2HD ARG 68 -5.030 13.197 3.450 369 2HD ARG 68 1HD ARG 68 -6.451 14.120 2.975 370 HE ARG 68 HE ARG 68 -6.426 11.361 3.996 371 1HH1 ARG 68 1HH1 ARG 68 -8.244 14.164 2.941 372 2HH1 ARG 68 2HH1 ARG 68 -9.713 13.642 3.690 373 1HH2 ARG 68 1HH2 ARG 68 -8.363 10.700 4.992 374 2HH2 ARG 68 2HH2 ARG 68 -9.783 11.680 4.848 375 H CYS 69 H CYS 69 -5.596 9.484 -0.159 376 HA CYS 69 HA CYS 69 -4.438 10.371 -2.501 377 1HB CYS 69 2HB CYS 69 -4.345 8.006 -0.898 378 2HB CYS 69 1HB CYS 69 -4.441 7.526 -2.589 379 HG CYS 69 HG CYS 69 -2.098 9.079 -1.303 380 H GLY 70 H GLY 70 -7.302 8.356 -2.073 381 1HA GLY 70 2HA GLY 70 -9.116 8.303 -3.576 382 2HA GLY 70 1HA GLY 70 -8.067 8.947 -4.829 383 H VAL 71 H VAL 71 -6.049 6.793 -3.910 384 HA VAL 71 HA VAL 71 -7.352 4.507 -5.233 385 HB VAL 71 HB VAL 71 -5.083 3.997 -6.238 386 1HG1 VAL 71 1HG1 VAL 71 -6.866 6.242 -7.040 387 2HG1 VAL 71 2HG1 VAL 71 -6.582 4.687 -7.824 388 3HG1 VAL 71 3HG1 VAL 71 -5.379 5.972 -7.951 389 1HG2 VAL 71 1HG2 VAL 71 -4.575 6.860 -5.430 390 2HG2 VAL 71 2HG2 VAL 71 -3.568 5.924 -6.536 391 3HG2 VAL 71 3HG2 VAL 71 -3.717 5.434 -4.848 392 H LEU 72 H LEU 72 -7.129 4.858 -2.439 393 HA LEU 72 HA LEU 72 -5.421 2.566 -1.805 394 1HB LEU 72 2HB LEU 72 -5.150 5.308 -0.776 395 2HB LEU 72 1HB LEU 72 -5.150 4.061 0.458 396 HG LEU 72 HG LEU 72 -3.391 3.385 -1.757 397 1HD1 LEU 72 1HD1 LEU 72 -3.220 5.856 -1.866 398 2HD1 LEU 72 2HD1 LEU 72 -1.712 5.066 -1.403 399 3HD1 LEU 72 3HD1 LEU 72 -2.703 5.859 -0.181 400 1HD2 LEU 72 1HD2 LEU 72 -3.633 2.685 0.829 401 2HD2 LEU 72 2HD2 LEU 72 -2.351 3.890 0.955 402 3HD2 LEU 72 3HD2 LEU 72 -2.146 2.493 -0.100 403 H GLN 73 H GLN 73 -6.175 1.245 -0.184 404 HA GLN 73 HA GLN 73 -8.282 1.941 1.585 405 1HB GLN 73 2HB GLN 73 -9.397 1.645 -0.744 406 2HB GLN 73 1HB GLN 73 -9.132 -0.072 -0.476 407 1HG GLN 73 2HG GLN 73 -11.026 -0.140 0.657 408 2HG GLN 73 1HG GLN 73 -10.293 0.896 1.881 409 1HE2 GLN 73 1HE2 GLN 73 -11.379 2.661 2.325 410 2HE2 GLN 73 2HE2 GLN 73 -12.447 3.506 1.254 411 H ILE 74 H ILE 74 -8.802 0.242 3.055 412 HA ILE 74 HA ILE 74 -6.666 -1.426 3.722 413 HB ILE 74 HB ILE 74 -9.551 -1.796 4.535 414 1HG1 ILE 74 2HG1 ILE 74 -7.342 -0.105 5.724 415 2HG1 ILE 74 1HG1 ILE 74 -8.860 0.465 5.037 416 1HG2 ILE 74 1HG2 ILE 74 -7.396 -3.450 5.000 417 2HG2 ILE 74 2HG2 ILE 74 -8.888 -3.399 5.940 418 3HG2 ILE 74 3HG2 ILE 74 -7.482 -2.473 6.466 419 1HD1 ILE 74 1HD1 ILE 74 -8.405 -0.984 7.618 420 2HD1 ILE 74 2HD1 ILE 74 -10.000 -0.868 6.877 421 3HD1 ILE 74 3HD1 ILE 74 -9.139 0.597 7.351 422 H GLY 75 H GLY 75 -5.926 -2.984 2.431 423 1HA GLY 75 2HA GLY 75 -6.805 -5.450 2.094 424 2HA GLY 75 1HA GLY 75 -7.795 -4.626 0.898 425 H ASP 76 H ASP 76 -5.541 -2.703 0.390 426 HA ASP 76 HA ASP 76 -4.424 -3.977 -1.837 427 1HB ASP 76 2HB ASP 76 -3.691 -1.484 -0.317 428 2HB ASP 76 1HB ASP 76 -2.742 -2.023 -1.699 429 H ARG 77 H ARG 77 -2.864 -5.442 -1.996 430 HA ARG 77 HA ARG 77 -1.173 -5.967 0.329 431 1HB ARG 77 2HB ARG 77 -1.304 -7.614 -2.187 432 2HB ARG 77 1HB ARG 77 -0.765 -8.111 -0.589 433 1HG ARG 77 2HG ARG 77 -3.418 -7.253 -0.278 434 2HG ARG 77 1HG ARG 77 -3.383 -8.232 -1.746 435 1HD ARG 77 2HD ARG 77 -1.891 -9.316 0.552 436 2HD ARG 77 1HD ARG 77 -3.643 -9.243 0.746 437 HE ARG 77 HE ARG 77 -2.785 -10.411 -1.741 438 1HH1 ARG 77 1HH1 ARG 77 -3.531 -11.024 1.614 439 2HH1 ARG 77 2HH1 ARG 77 -3.883 -12.700 1.357 440 1HH2 ARG 77 1HH2 ARG 77 -3.252 -12.614 -2.079 441 2HH2 ARG 77 2HH2 ARG 77 -3.725 -13.604 -0.737 442 H VAL 78 H VAL 78 0.601 -4.736 0.367 443 HA VAL 78 HA VAL 78 1.914 -3.765 -1.967 444 HB VAL 78 HB VAL 78 3.119 -3.930 0.793 445 1HG1 VAL 78 1HG1 VAL 78 3.869 -2.701 -1.733 446 2HG1 VAL 78 2HG1 VAL 78 4.838 -3.016 -0.296 447 3HG1 VAL 78 3HG1 VAL 78 3.854 -1.556 -0.392 448 1HG2 VAL 78 1HG2 VAL 78 0.716 -2.782 0.370 449 2HG2 VAL 78 2HG2 VAL 78 1.779 -1.435 -0.029 450 3HG2 VAL 78 3HG2 VAL 78 1.883 -2.201 1.555 451 H MET 79 H MET 79 3.884 -4.391 -2.878 452 HA MET 79 HA MET 79 5.413 -6.571 -1.848 453 1HB MET 79 2HB MET 79 3.294 -7.095 -3.822 454 2HB MET 79 1HB MET 79 4.866 -7.759 -4.245 455 1HG MET 79 2HG MET 79 4.633 -8.479 -1.625 456 2HG MET 79 1HG MET 79 2.966 -8.580 -2.187 457 1HE MET 79 1HE MET 79 6.498 -9.142 -3.193 458 2HE MET 79 2HE MET 79 6.079 -9.665 -4.824 459 3HE MET 79 3HE MET 79 6.614 -10.847 -3.629 460 H ALA 80 H ALA 80 5.721 -3.809 -2.909 461 HA ALA 80 HA ALA 80 8.192 -4.035 -4.122 462 1HB ALA 80 1HB ALA 80 7.240 -3.125 -6.476 463 2HB ALA 80 2HB ALA 80 5.954 -4.247 -6.027 464 3HB ALA 80 3HB ALA 80 7.616 -4.818 -6.157 465 H ILE 81 H ILE 81 8.226 -2.342 -2.484 466 HA ILE 81 HA ILE 81 7.122 0.227 -3.391 467 HB ILE 81 HB ILE 81 8.319 -0.398 -0.695 468 1HG1 ILE 81 2HG1 ILE 81 5.375 -0.144 -1.262 469 2HG1 ILE 81 1HG1 ILE 81 6.196 -1.701 -1.379 470 1HG2 ILE 81 1HG2 ILE 81 8.319 1.967 -1.332 471 2HG2 ILE 81 2HG2 ILE 81 7.220 1.652 0.012 472 3HG2 ILE 81 3HG2 ILE 81 6.580 1.885 -1.614 473 1HD1 ILE 81 1HD1 ILE 81 6.127 -1.970 0.816 474 2HD1 ILE 81 2HD1 ILE 81 5.095 -0.544 0.892 475 3HD1 ILE 81 3HD1 ILE 81 6.838 -0.382 1.098 476 H ASN 82 H ASN 82 8.455 1.532 -4.440 477 HA ASN 82 HA ASN 82 10.372 2.395 -5.332 478 1HB ASN 82 2HB ASN 82 11.820 3.468 -3.719 479 2HB ASN 82 1HB ASN 82 10.154 3.598 -3.166 480 1HD2 ASN 82 1HD2 ASN 82 13.226 2.022 -2.677 481 2HD2 ASN 82 2HD2 ASN 82 12.907 1.467 -1.066 482 H GLY 83 H GLY 83 10.302 -0.513 -5.183 483 1HA GLY 83 2HA GLY 83 12.044 -1.833 -6.232 484 2HA GLY 83 1HA GLY 83 13.214 -0.983 -5.234 485 H ILE 84 H ILE 84 12.058 -1.153 -2.747 486 HA ILE 84 HA ILE 84 12.748 -3.801 -1.981 487 HB ILE 84 HB ILE 84 11.362 -1.695 -0.323 488 1HG1 ILE 84 2HG1 ILE 84 13.534 -1.004 -1.482 489 2HG1 ILE 84 1HG1 ILE 84 13.477 -0.823 0.268 490 1HG2 ILE 84 1HG2 ILE 84 11.251 -3.801 0.772 491 2HG2 ILE 84 2HG2 ILE 84 12.535 -2.880 1.552 492 3HG2 ILE 84 3HG2 ILE 84 12.938 -4.155 0.404 493 1HD1 ILE 84 1HD1 ILE 84 14.867 -2.694 0.601 494 2HD1 ILE 84 2HD1 ILE 84 15.601 -1.766 -0.707 495 3HD1 ILE 84 3HD1 ILE 84 14.678 -3.225 -1.070 496 HA PRO 85 HA PRO 85 8.489 -5.246 -2.430 497 1HB PRO 85 2HB PRO 85 9.052 -7.765 -3.075 498 2HB PRO 85 1HB PRO 85 9.348 -6.452 -4.220 499 1HG PRO 85 2HG PRO 85 11.278 -7.995 -2.569 500 2HG PRO 85 1HG PRO 85 11.493 -7.273 -4.170 501 1HD PRO 85 2HD PRO 85 12.304 -6.188 -1.674 502 2HD PRO 85 1HD PRO 85 12.350 -5.388 -3.255 503 H THR 86 H THR 86 7.714 -5.187 -0.337 504 HA THR 86 HA THR 86 8.740 -6.552 1.863 505 HB THR 86 HB THR 86 6.594 -6.140 2.937 506 HG1 THR 86 1HG THR 86 5.714 -5.620 0.298 507 1HG2 THR 86 1HG2 THR 86 7.723 -4.150 2.994 508 2HG2 THR 86 2HG2 THR 86 6.239 -3.685 2.162 509 3HG2 THR 86 3HG2 THR 86 7.714 -3.968 1.239 510 H GLU 87 H GLU 87 9.173 -8.679 1.712 511 HA GLU 87 HA GLU 87 6.918 -10.468 1.077 512 1HB GLU 87 2HB GLU 87 9.757 -10.533 0.178 513 2HB GLU 87 1HB GLU 87 8.968 -12.071 0.504 514 1HG GLU 87 2HG GLU 87 7.375 -11.741 -1.174 515 2HG GLU 87 1HG GLU 87 7.725 -10.017 -1.288 516 H ASP 88 H ASP 88 7.731 -12.839 1.866 517 HA ASP 88 HA ASP 88 7.978 -14.197 3.672 518 1HB ASP 88 2HB ASP 88 10.293 -12.818 3.507 519 2HB ASP 88 1HB ASP 88 9.767 -12.328 5.115 520 H SER 89 H SER 89 7.762 -14.282 6.130 521 HA SER 89 HA SER 89 5.448 -12.748 6.851 522 1HB SER 89 2HB SER 89 6.474 -14.149 9.114 523 2HB SER 89 1HB SER 89 5.073 -14.553 8.124 524 HG SER 89 HG SER 89 7.729 -15.457 7.898 525 H THR 90 H THR 90 6.131 -10.601 6.970 526 HA THR 90 HA THR 90 7.014 -9.716 9.482 527 HB THR 90 HB THR 90 9.212 -10.426 8.920 528 HG1 THR 90 1HG THR 90 10.286 -8.511 9.013 529 1HG2 THR 90 1HG2 THR 90 8.862 -10.653 6.474 530 2HG2 THR 90 2HG2 THR 90 10.388 -9.889 6.921 531 3HG2 THR 90 3HG2 THR 90 9.048 -8.905 6.333 532 H PHE 91 H PHE 91 4.994 -8.631 8.860 533 HA PHE 91 HA PHE 91 4.790 -6.796 6.759 534 1HB PHE 91 2HB PHE 91 2.940 -5.792 8.081 535 2HB PHE 91 1HB PHE 91 2.825 -7.545 7.962 536 HD1 PHE 91 1HD PHE 91 4.161 -4.892 10.211 537 HD2 PHE 91 2HD PHE 91 2.447 -8.773 9.871 538 HE1 PHE 91 1HE PHE 91 4.031 -5.045 12.662 539 HE2 PHE 91 2HE PHE 91 2.314 -8.932 12.323 540 HZ PHE 91 HZ PHE 91 3.107 -7.067 13.722 541 H GLU 92 H GLU 92 6.438 -6.594 9.787 542 HA GLU 92 HA GLU 92 6.520 -3.858 10.244 543 1HB GLU 92 2HB GLU 92 8.269 -6.160 10.912 544 2HB GLU 92 1HB GLU 92 8.991 -4.563 11.048 545 1HG GLU 92 2HG GLU 92 7.454 -3.886 12.684 546 2HG GLU 92 1HG GLU 92 6.369 -5.232 12.340 547 H GLU 93 H GLU 93 8.216 -5.795 7.884 548 HA GLU 93 HA GLU 93 10.240 -3.996 7.168 549 1HB GLU 93 2HB GLU 93 8.788 -6.102 5.565 550 2HB GLU 93 1HB GLU 93 10.160 -5.197 4.940 551 1HG GLU 93 2HG GLU 93 11.287 -6.054 7.167 552 2HG GLU 93 1HG GLU 93 10.067 -7.316 7.012 553 H ALA 94 H ALA 94 7.010 -4.481 5.753 554 HA ALA 94 HA ALA 94 7.137 -2.456 3.837 555 1HB ALA 94 1HB ALA 94 4.815 -2.696 3.598 556 2HB ALA 94 2HB ALA 94 4.607 -3.202 5.275 557 3HB ALA 94 3HB ALA 94 5.379 -4.284 4.116 558 H ASN 95 H ASN 95 5.960 -2.356 7.191 559 HA ASN 95 HA ASN 95 5.130 0.324 7.194 560 1HB ASN 95 2HB ASN 95 5.796 -1.705 9.248 561 2HB ASN 95 1HB ASN 95 5.886 -0.026 9.771 562 1HD2 ASN 95 1HD2 ASN 95 3.974 -2.480 10.035 563 2HD2 ASN 95 2HD2 ASN 95 2.410 -1.747 9.877 564 H GLN 96 H GLN 96 8.278 -1.149 7.711 565 HA GLN 96 HA GLN 96 9.626 1.096 8.689 566 1HB GLN 96 2HB GLN 96 10.601 -1.100 8.886 567 2HB GLN 96 1HB GLN 96 10.612 -1.299 7.140 568 1HG GLN 96 2HG GLN 96 12.699 -0.577 7.163 569 2HG GLN 96 1HG GLN 96 12.071 1.018 7.577 570 1HE2 GLN 96 1HE2 GLN 96 12.297 -1.986 9.443 571 2HE2 GLN 96 2HE2 GLN 96 13.242 -1.317 10.733 572 H LEU 97 H LEU 97 9.017 -0.066 5.419 573 HA LEU 97 HA LEU 97 10.600 1.933 4.132 574 1HB LEU 97 2HB LEU 97 8.321 0.444 2.857 575 2HB LEU 97 1HB LEU 97 9.765 1.080 2.094 576 HG LEU 97 HG LEU 97 10.114 -1.037 4.155 577 1HD1 LEU 97 1HD1 LEU 97 8.274 -1.433 2.125 578 2HD1 LEU 97 2HD1 LEU 97 9.095 -2.681 3.062 579 3HD1 LEU 97 3HD1 LEU 97 9.759 -2.163 1.512 580 1HD2 LEU 97 1HD2 LEU 97 11.453 -0.952 1.503 581 2HD2 LEU 97 2HD2 LEU 97 12.083 -1.446 3.075 582 3HD2 LEU 97 3HD2 LEU 97 11.881 0.267 2.704 583 H LEU 98 H LEU 98 7.328 1.722 5.276 584 HA LEU 98 HA LEU 98 6.194 3.818 3.771 585 1HB LEU 98 2HB LEU 98 5.472 2.201 6.085 586 2HB LEU 98 1HB LEU 98 4.839 3.834 6.168 587 HG LEU 98 HG LEU 98 3.294 2.170 5.139 588 1HD1 LEU 98 1HD1 LEU 98 2.694 3.606 3.204 589 2HD1 LEU 98 2HD1 LEU 98 4.195 4.499 3.461 590 3HD1 LEU 98 3HD1 LEU 98 2.945 4.498 4.706 591 1HD2 LEU 98 1HD2 LEU 98 3.718 1.439 2.850 592 2HD2 LEU 98 2HD2 LEU 98 4.952 0.830 3.953 593 3HD2 LEU 98 3HD2 LEU 98 5.310 2.199 2.900 594 H ARG 99 H ARG 99 7.686 3.752 6.993 595 HA ARG 99 HA ARG 99 7.390 6.576 7.389 596 1HB ARG 99 2HB ARG 99 8.623 4.314 8.877 597 2HB ARG 99 1HB ARG 99 9.203 5.932 9.243 598 1HG ARG 99 2HG ARG 99 7.481 6.198 10.604 599 2HG ARG 99 1HG ARG 99 6.402 6.099 9.212 600 1HD ARG 99 2HD ARG 99 5.558 4.391 10.468 601 2HD ARG 99 1HD ARG 99 6.778 3.507 9.551 602 HE ARG 99 HE ARG 99 8.122 4.282 11.763 603 1HH1 ARG 99 1HH1 ARG 99 5.087 2.627 11.283 604 2HH1 ARG 99 2HH1 ARG 99 5.201 1.726 12.758 605 1HH2 ARG 99 1HH2 ARG 99 8.270 3.102 13.706 606 2HH2 ARG 99 2HH2 ARG 99 7.007 1.997 14.134 607 H ASP 100 H ASP 100 9.825 4.478 6.048 608 HA ASP 100 HA ASP 100 11.978 6.337 6.182 609 1HB ASP 100 2HB ASP 100 11.505 3.675 5.028 610 2HB ASP 100 1HB ASP 100 12.654 4.661 4.128 611 H SER 101 H SER 101 9.198 6.307 4.324 612 HA SER 101 HA SER 101 10.241 7.297 1.863 613 1HB SER 101 2HB SER 101 7.445 7.470 3.011 614 2HB SER 101 1HB SER 101 7.885 7.839 1.345 615 HG SER 101 HG SER 101 7.590 5.399 2.603 616 H SER 102 H SER 102 9.461 8.721 4.913 617 HA SER 102 HA SER 102 8.923 11.357 4.158 618 1HB SER 102 2HB SER 102 9.772 11.939 6.460 619 2HB SER 102 1HB SER 102 8.540 10.679 6.430 620 HG SER 102 HG SER 102 10.219 10.033 7.769 621 H ILE 103 H ILE 103 11.963 9.637 4.525 622 HA ILE 103 HA ILE 103 13.767 11.724 4.580 623 HB ILE 103 HB ILE 103 14.061 9.067 3.199 624 1HG1 ILE 103 2HG1 ILE 103 13.439 9.060 5.631 625 2HG1 ILE 103 1HG1 ILE 103 14.982 8.309 5.266 626 1HG2 ILE 103 1HG2 ILE 103 16.548 9.756 4.040 627 2HG2 ILE 103 2HG2 ILE 103 15.902 11.328 3.568 628 3HG2 ILE 103 3HG2 ILE 103 15.946 10.006 2.402 629 1HD1 ILE 103 1HD1 ILE 103 15.282 9.586 7.226 630 2HD1 ILE 103 2HD1 ILE 103 14.496 10.992 6.506 631 3HD1 ILE 103 3HD1 ILE 103 16.075 10.468 5.922 632 H THR 104 H THR 104 12.775 9.935 1.653 633 HA THR 104 HA THR 104 13.905 11.905 -0.088 634 HB THR 104 HB THR 104 13.924 9.707 -0.935 635 HG1 THR 104 1HG THR 104 11.691 10.889 -2.210 636 1HG2 THR 104 1HG2 THR 104 11.730 8.483 -1.353 637 2HG2 THR 104 2HG2 THR 104 11.038 9.574 -0.153 638 3HG2 THR 104 3HG2 THR 104 12.362 8.497 0.292 639 H SER 105 H SER 105 11.065 11.807 1.661 640 HA SER 105 HA SER 105 9.403 13.376 1.791 641 1HB SER 105 2HB SER 105 9.917 14.432 -0.959 642 2HB SER 105 1HB SER 105 9.360 15.283 0.481 643 HG SER 105 HG SER 105 11.920 14.762 -0.382 644 H LYS 106 H LYS 106 9.814 11.142 -0.729 645 HA LYS 106 HA LYS 106 6.981 10.661 -0.817 646 1HB LYS 106 2HB LYS 106 6.685 10.920 -3.195 647 2HB LYS 106 1HB LYS 106 7.279 12.433 -2.526 648 1HG LYS 106 2HG LYS 106 9.128 12.385 -3.771 649 2HG LYS 106 1HG LYS 106 9.416 10.676 -3.440 650 1HD LYS 106 2HD LYS 106 9.017 11.141 -5.837 651 2HD LYS 106 1HD LYS 106 7.830 10.034 -5.146 652 1HE LYS 106 2HE LYS 106 6.125 11.536 -5.319 653 2HE LYS 106 1HE LYS 106 7.184 12.928 -5.100 654 1HZ LYS 106 1HZ LYS 106 8.049 12.050 -7.442 655 2HZ LYS 106 2HZ LYS 106 6.784 13.162 -7.293 656 3HZ LYS 106 3HZ LYS 106 6.444 11.524 -7.538 657 H VAL 107 H VAL 107 6.428 8.675 -1.942 658 HA VAL 107 HA VAL 107 8.668 6.934 -2.632 659 HB VAL 107 HB VAL 107 8.296 6.643 -0.199 660 1HG1 VAL 107 1HG1 VAL 107 5.570 5.709 -1.073 661 2HG1 VAL 107 2HG1 VAL 107 5.944 7.082 -0.034 662 3HG1 VAL 107 3HG1 VAL 107 6.250 5.440 0.530 663 1HG2 VAL 107 1HG2 VAL 107 9.118 4.820 -1.733 664 2HG2 VAL 107 2HG2 VAL 107 7.475 4.177 -1.713 665 3HG2 VAL 107 3HG2 VAL 107 8.402 4.274 -0.216 666 H THR 108 H THR 108 7.982 4.895 -3.611 667 HA THR 108 HA THR 108 5.325 5.102 -4.871 668 HB THR 108 HB THR 108 6.745 3.556 -6.612 669 HG1 THR 108 1HG THR 108 8.706 3.905 -5.579 670 1HG2 THR 108 1HG2 THR 108 6.044 6.414 -6.538 671 2HG2 THR 108 2HG2 THR 108 5.672 5.177 -7.740 672 3HG2 THR 108 3HG2 THR 108 7.265 5.932 -7.715 673 H LEU 109 H LEU 109 4.050 3.621 -3.948 674 HA LEU 109 HA LEU 109 5.214 1.040 -3.177 675 1HB LEU 109 2HB LEU 109 2.806 0.875 -2.085 676 2HB LEU 109 1HB LEU 109 4.135 1.695 -1.292 677 HG LEU 109 HG LEU 109 2.305 3.283 -3.035 678 1HD1 LEU 109 1HD1 LEU 109 1.142 1.701 -1.214 679 2HD1 LEU 109 2HD1 LEU 109 0.560 3.320 -1.602 680 3HD1 LEU 109 3HD1 LEU 109 1.575 3.066 -0.183 681 1HD2 LEU 109 1HD2 LEU 109 3.605 4.893 -2.230 682 2HD2 LEU 109 2HD2 LEU 109 4.410 3.765 -1.138 683 3HD2 LEU 109 3HD2 LEU 109 2.931 4.577 -0.631 684 H GLU 110 H GLU 110 4.642 -0.819 -4.108 685 HA GLU 110 HA GLU 110 2.581 -0.711 -6.209 686 1HB GLU 110 2HB GLU 110 4.979 -2.519 -5.887 687 2HB GLU 110 1HB GLU 110 3.734 -2.764 -7.102 688 1HG GLU 110 2HG GLU 110 4.447 -0.137 -7.471 689 2HG GLU 110 1HG GLU 110 5.977 -0.916 -7.067 690 H ILE 111 H ILE 111 0.705 -1.378 -5.326 691 HA ILE 111 HA ILE 111 0.755 -3.727 -3.578 692 HB ILE 111 HB ILE 111 -1.398 -3.014 -2.762 693 1HG1 ILE 111 2HG1 ILE 111 -2.004 -1.840 -4.971 694 2HG1 ILE 111 1HG1 ILE 111 -2.594 -1.142 -3.467 695 1HG2 ILE 111 1HG2 ILE 111 -0.108 -2.041 -1.244 696 2HG2 ILE 111 2HG2 ILE 111 -0.400 -0.527 -2.101 697 3HG2 ILE 111 3HG2 ILE 111 1.033 -1.486 -2.469 698 1HD1 ILE 111 1HD1 ILE 111 -0.640 -0.091 -5.413 699 2HD1 ILE 111 2HD1 ILE 111 -0.332 0.250 -3.713 700 3HD1 ILE 111 3HD1 ILE 111 -1.854 0.745 -4.448 701 H GLU 112 H GLU 112 -1.028 -5.227 -3.721 702 HA GLU 112 HA GLU 112 -1.967 -5.566 -6.489 703 1HB GLU 112 2HB GLU 112 -0.556 -7.333 -4.946 704 2HB GLU 112 1HB GLU 112 -2.208 -7.854 -4.649 705 1HG GLU 112 2HG GLU 112 -2.345 -7.681 -7.286 706 2HG GLU 112 1HG GLU 112 -0.608 -7.940 -7.139 707 H PHE 113 H PHE 113 -4.042 -5.129 -6.820 708 HA PHE 113 HA PHE 113 -5.904 -5.331 -4.542 709 1HB PHE 113 2HB PHE 113 -7.198 -3.574 -5.532 710 2HB PHE 113 1HB PHE 113 -5.517 -3.048 -5.552 711 HD1 PHE 113 1HD PHE 113 -8.239 -4.424 -7.609 712 HD2 PHE 113 2HD PHE 113 -4.398 -2.600 -7.583 713 HE1 PHE 113 1HE PHE 113 -8.376 -4.108 -10.040 714 HE2 PHE 113 2HE PHE 113 -4.532 -2.276 -10.018 715 HZ PHE 113 HZ PHE 113 -6.523 -3.047 -11.248 716 H ASP 114 H ASP 114 -8.190 -5.815 -5.173 717 HA ASP 114 HA ASP 114 -8.345 -7.571 -7.523 718 1HB ASP 114 2HB ASP 114 -9.913 -9.003 -5.988 719 2HB ASP 114 1HB ASP 114 -8.168 -9.216 -5.901 720 H VAL 115 H VAL 115 -9.590 -6.228 -8.741 721 HA VAL 115 HA VAL 115 -12.060 -5.150 -7.603 722 HB VAL 115 HB VAL 115 -12.270 -3.888 -9.696 723 1HG1 VAL 115 1HG1 VAL 115 -9.994 -3.665 -7.867 724 2HG1 VAL 115 2HG1 VAL 115 -11.180 -2.457 -8.358 725 3HG1 VAL 115 3HG1 VAL 115 -9.794 -2.800 -9.392 726 1HG2 VAL 115 1HG2 VAL 115 -9.951 -5.573 -10.486 727 2HG2 VAL 115 2HG2 VAL 115 -10.040 -3.924 -11.103 728 3HG2 VAL 115 3HG2 VAL 115 -11.350 -5.058 -11.428 729 H ALA 116 H ALA 116 -14.015 -5.228 -9.066 730 HA ALA 116 HA ALA 116 -14.228 -7.903 -10.284 731 1HB ALA 116 1HB ALA 116 -15.582 -7.792 -8.305 732 2HB ALA 116 2HB ALA 116 -16.646 -7.783 -9.711 733 3HB ALA 116 3HB ALA 116 -16.322 -6.283 -8.842 734 H GLU 117 H GLU 117 -13.267 -5.890 -11.849 735 HA GLU 117 HA GLU 117 -15.195 -5.827 -13.955 736 1HB GLU 117 2HB GLU 117 -15.332 -3.380 -14.174 737 2HB GLU 117 1HB GLU 117 -16.045 -3.943 -12.671 738 1HG GLU 117 2HG GLU 117 -13.347 -3.394 -12.112 739 2HG GLU 117 1HG GLU 117 -13.946 -2.050 -13.084 740 H SER 118 H SER 118 -13.351 -6.992 -14.806 741 HA SER 118 HA SER 118 -11.328 -5.156 -15.900 742 1HB SER 118 2HB SER 118 -10.899 -7.848 -14.620 743 2HB SER 118 1HB SER 118 -9.742 -7.185 -15.772 744 HG SER 118 HG SER 118 -9.610 -6.738 -13.320 Start of MODEL 13 1 1H GLN 18 1HT GLN 18 -16.445 -15.554 -16.817 2 2H GLN 18 2HT GLN 18 -16.405 -16.805 -15.642 3 3H GLN 18 3HT GLN 18 -14.953 -16.283 -16.395 4 HA GLN 18 HA GLN 18 -16.670 -14.610 -14.691 5 1HB GLN 18 2HB GLN 18 -14.318 -16.384 -14.146 6 2HB GLN 18 1HB GLN 18 -14.527 -14.918 -13.200 7 1HG GLN 18 2HG GLN 18 -16.251 -15.757 -12.037 8 2HG GLN 18 1HG GLN 18 -16.926 -16.591 -13.436 9 1HE2 GLN 18 1HE2 GLN 18 -14.292 -16.735 -11.087 10 2HE2 GLN 18 2HE2 GLN 18 -14.186 -18.465 -11.046 11 H VAL 19 H VAL 19 -16.374 -12.559 -15.251 12 HA VAL 19 HA VAL 19 -13.836 -11.765 -16.494 13 HB VAL 19 HB VAL 19 -16.392 -10.163 -16.369 14 1HG1 VAL 19 1HG1 VAL 19 -15.236 -9.133 -18.445 15 2HG1 VAL 19 2HG1 VAL 19 -13.769 -9.845 -17.773 16 3HG1 VAL 19 3HG1 VAL 19 -14.687 -8.665 -16.836 17 1HG2 VAL 19 1HG2 VAL 19 -15.534 -12.331 -18.194 18 2HG2 VAL 19 2HG2 VAL 19 -16.282 -10.915 -18.929 19 3HG2 VAL 19 3HG2 VAL 19 -17.154 -11.835 -17.703 20 H VAL 20 H VAL 20 -12.690 -11.706 -14.483 21 HA VAL 20 HA VAL 20 -13.334 -9.328 -12.861 22 HB VAL 20 HB VAL 20 -13.703 -11.387 -11.573 23 1HG1 VAL 20 1HG1 VAL 20 -10.846 -12.066 -11.416 24 2HG1 VAL 20 2HG1 VAL 20 -11.630 -12.443 -12.950 25 3HG1 VAL 20 3HG1 VAL 20 -12.265 -13.114 -11.448 26 1HG2 VAL 20 1HG2 VAL 20 -11.390 -9.640 -10.776 27 2HG2 VAL 20 2HG2 VAL 20 -12.061 -10.867 -9.701 28 3HG2 VAL 20 3HG2 VAL 20 -13.074 -9.537 -10.262 29 H HIS 21 H HIS 21 -11.873 -7.779 -13.093 30 HA HIS 21 HA HIS 21 -9.340 -8.256 -14.331 31 1HB HIS 21 2HB HIS 21 -10.961 -5.960 -13.615 32 2HB HIS 21 1HB HIS 21 -9.266 -5.691 -13.219 33 HD1 HIS 21 1HD HIS 21 -8.060 -4.600 -15.066 34 HD2 HIS 21 2HD HIS 21 -11.081 -7.082 -16.469 35 HE1 HIS 21 1HE HIS 21 -7.984 -4.401 -17.571 36 HE2 HIS 21 2HE HIS 21 -9.875 -5.849 -18.395 37 H THR 22 H THR 22 -7.307 -7.311 -13.324 38 HA THR 22 HA THR 22 -6.920 -7.055 -10.582 39 HB THR 22 HB THR 22 -5.604 -9.521 -10.755 40 HG1 THR 22 1HG THR 22 -6.992 -10.932 -11.567 41 1HG2 THR 22 1HG2 THR 22 -6.991 -10.240 -8.988 42 2HG2 THR 22 2HG2 THR 22 -8.270 -9.112 -9.440 43 3HG2 THR 22 3HG2 THR 22 -6.754 -8.505 -8.775 44 H GLU 23 H GLU 23 -4.871 -6.347 -10.183 45 HA GLU 23 HA GLU 23 -2.569 -7.104 -11.583 46 1HB GLU 23 2HB GLU 23 -2.235 -4.885 -12.821 47 2HB GLU 23 1HB GLU 23 -3.322 -6.062 -13.544 48 1HG GLU 23 2HG GLU 23 -5.093 -4.670 -12.109 49 2HG GLU 23 1HG GLU 23 -3.891 -3.412 -12.381 50 H THR 24 H THR 24 -0.800 -5.283 -11.344 51 HA THR 24 HA THR 24 -1.018 -4.340 -8.576 52 HB THR 24 HB THR 24 1.492 -4.134 -8.748 53 HG1 THR 24 1HG THR 24 1.641 -4.063 -11.015 54 1HG2 THR 24 1HG2 THR 24 0.713 -6.071 -7.648 55 2HG2 THR 24 2HG2 THR 24 1.938 -6.601 -8.801 56 3HG2 THR 24 3HG2 THR 24 0.227 -6.823 -9.167 57 H THR 25 H THR 25 -1.141 -2.246 -8.124 58 HA THR 25 HA THR 25 -0.764 -0.323 -10.302 59 HB THR 25 HB THR 25 -2.904 -0.004 -9.409 60 HG1 THR 25 1HG THR 25 -1.849 1.969 -9.454 61 1HG2 THR 25 1HG2 THR 25 -2.835 0.473 -6.727 62 2HG2 THR 25 2HG2 THR 25 -1.731 -0.891 -6.901 63 3HG2 THR 25 3HG2 THR 25 -3.386 -1.017 -7.491 64 H GLU 26 H GLU 26 0.210 1.730 -9.823 65 HA GLU 26 HA GLU 26 2.357 1.527 -7.819 66 1HB GLU 26 2HB GLU 26 2.377 2.266 -10.609 67 2HB GLU 26 1HB GLU 26 2.933 3.620 -9.633 68 1HG GLU 26 2HG GLU 26 4.305 1.543 -8.531 69 2HG GLU 26 1HG GLU 26 4.223 1.065 -10.226 70 H VAL 27 H VAL 27 1.447 2.474 -6.074 71 HA VAL 27 HA VAL 27 0.095 5.043 -6.426 72 HB VAL 27 HB VAL 27 -0.216 4.368 -3.773 73 1HG1 VAL 27 1HG1 VAL 27 -1.842 5.163 -5.614 74 2HG1 VAL 27 2HG1 VAL 27 -2.473 4.197 -4.283 75 3HG1 VAL 27 3HG1 VAL 27 -2.163 3.445 -5.847 76 1HG2 VAL 27 1HG2 VAL 27 -0.856 2.070 -3.627 77 2HG2 VAL 27 2HG2 VAL 27 0.780 2.131 -4.281 78 3HG2 VAL 27 3HG2 VAL 27 -0.587 1.831 -5.353 79 H VAL 28 H VAL 28 1.487 6.685 -6.335 80 HA VAL 28 HA VAL 28 3.797 6.620 -4.600 81 HB VAL 28 HB VAL 28 3.967 7.661 -6.818 82 1HG1 VAL 28 1HG1 VAL 28 2.600 9.262 -7.604 83 2HG1 VAL 28 2HG1 VAL 28 2.507 10.091 -6.050 84 3HG1 VAL 28 3HG1 VAL 28 1.500 8.677 -6.355 85 1HG2 VAL 28 1HG2 VAL 28 4.608 9.039 -4.311 86 2HG2 VAL 28 2HG2 VAL 28 4.613 10.078 -5.736 87 3HG2 VAL 28 3HG2 VAL 28 5.638 8.643 -5.686 88 H LEU 29 H LEU 29 3.647 7.110 -2.507 89 HA LEU 29 HA LEU 29 1.524 8.946 -1.647 90 1HB LEU 29 2HB LEU 29 2.524 6.461 -0.613 91 2HB LEU 29 1HB LEU 29 2.719 7.717 0.596 92 HG LEU 29 HG LEU 29 0.607 6.560 0.907 93 1HD1 LEU 29 1HD1 LEU 29 0.951 9.222 0.964 94 2HD1 LEU 29 2HD1 LEU 29 -0.555 8.424 1.415 95 3HD1 LEU 29 3HD1 LEU 29 -0.371 9.112 -0.197 96 1HD2 LEU 29 1HD2 LEU 29 -1.129 6.552 -0.746 97 2HD2 LEU 29 2HD2 LEU 29 0.332 5.878 -1.467 98 3HD2 LEU 29 3HD2 LEU 29 -0.154 7.531 -1.842 99 H THR 30 H THR 30 1.974 10.735 -0.423 100 HA THR 30 HA THR 30 4.829 11.385 -0.112 101 HB THR 30 HB THR 30 2.508 13.273 -0.563 102 HG1 THR 30 1HG THR 30 4.539 12.282 -2.252 103 1HG2 THR 30 1HG2 THR 30 5.258 14.212 -0.965 104 2HG2 THR 30 2HG2 THR 30 4.778 13.951 0.711 105 3HG2 THR 30 3HG2 THR 30 3.849 15.047 -0.312 106 H ALA 31 H ALA 31 5.537 12.251 1.810 107 HA ALA 31 HA ALA 31 3.812 11.808 4.096 108 1HB ALA 31 1HB ALA 31 6.438 11.355 3.727 109 2HB ALA 31 2HB ALA 31 5.697 11.574 5.312 110 3HB ALA 31 3HB ALA 31 6.505 12.928 4.520 111 H ASP 32 H ASP 32 3.090 13.339 5.521 112 HA ASP 32 HA ASP 32 3.440 16.143 4.687 113 1HB ASP 32 2HB ASP 32 1.105 14.962 4.631 114 2HB ASP 32 1HB ASP 32 1.135 15.223 6.372 115 HA PRO 33 HA PRO 33 5.340 16.772 8.650 116 1HB PRO 33 2HB PRO 33 5.398 19.463 8.675 117 2HB PRO 33 1HB PRO 33 6.431 18.514 7.598 118 1HG PRO 33 2HG PRO 33 3.857 19.919 6.998 119 2HG PRO 33 1HG PRO 33 5.345 19.856 6.040 120 1HD PRO 33 2HD PRO 33 3.161 18.297 5.536 121 2HD PRO 33 1HD PRO 33 4.821 17.816 5.134 122 H VAL 34 H VAL 34 2.867 15.947 9.153 123 HA VAL 34 HA VAL 34 2.024 17.669 11.320 124 HB VAL 34 HB VAL 34 0.005 16.875 9.218 125 1HG1 VAL 34 1HG1 VAL 34 -0.604 18.963 11.196 126 2HG1 VAL 34 2HG1 VAL 34 -0.437 17.332 11.846 127 3HG1 VAL 34 3HG1 VAL 34 -1.613 17.659 10.573 128 1HG2 VAL 34 1HG2 VAL 34 -0.126 19.323 8.757 129 2HG2 VAL 34 2HG2 VAL 34 1.401 18.580 8.275 130 3HG2 VAL 34 3HG2 VAL 34 1.314 19.537 9.754 131 H THR 35 H THR 35 0.542 14.997 9.480 132 HA THR 35 HA THR 35 0.442 13.455 11.986 133 HB THR 35 HB THR 35 -1.377 12.152 10.750 134 HG1 THR 35 1HG THR 35 -1.374 12.723 8.707 135 1HG2 THR 35 1HG2 THR 35 -1.546 14.595 12.162 136 2HG2 THR 35 2HG2 THR 35 -2.759 13.324 12.005 137 3HG2 THR 35 3HG2 THR 35 -2.711 14.646 10.839 138 H GLY 36 H GLY 36 1.465 13.448 8.655 139 1HA GLY 36 2HA GLY 36 3.436 12.084 8.154 140 2HA GLY 36 1HA GLY 36 2.705 10.805 9.113 141 H PHE 37 H PHE 37 1.856 9.217 7.964 142 HA PHE 37 HA PHE 37 0.887 9.820 5.249 143 1HB PHE 37 2HB PHE 37 2.280 7.426 6.399 144 2HB PHE 37 1HB PHE 37 1.259 7.254 4.976 145 HD1 PHE 37 1HD PHE 37 1.834 8.447 2.894 146 HD2 PHE 37 2HD PHE 37 4.420 8.445 6.272 147 HE1 PHE 37 1HE PHE 37 3.692 9.192 1.467 148 HE2 PHE 37 2HE PHE 37 6.286 9.190 4.847 149 HZ PHE 37 HZ PHE 37 5.921 9.564 2.438 150 H GLY 38 H GLY 38 0.057 8.536 8.344 151 1HA GLY 38 2HA GLY 38 -1.915 7.749 9.207 152 2HA GLY 38 1HA GLY 38 -2.693 8.608 7.887 153 H ILE 39 H ILE 39 -0.407 5.989 7.419 154 HA ILE 39 HA ILE 39 -2.593 4.141 6.807 155 HB ILE 39 HB ILE 39 -2.032 5.205 4.673 156 1HG1 ILE 39 2HG1 ILE 39 -0.817 2.688 3.996 157 2HG1 ILE 39 1HG1 ILE 39 -2.049 2.429 5.232 158 1HG2 ILE 39 1HG2 ILE 39 0.053 5.845 4.276 159 2HG2 ILE 39 2HG2 ILE 39 0.489 4.151 4.052 160 3HG2 ILE 39 3HG2 ILE 39 0.651 4.901 5.640 161 1HD1 ILE 39 1HD1 ILE 39 -3.025 4.206 3.199 162 2HD1 ILE 39 2HD1 ILE 39 -3.664 2.654 3.740 163 3HD1 ILE 39 3HD1 ILE 39 -2.424 2.709 2.486 164 H GLN 40 H GLN 40 -2.121 2.008 7.177 165 HA GLN 40 HA GLN 40 0.636 1.356 7.961 166 1HB GLN 40 2HB GLN 40 -1.737 1.366 9.635 167 2HB GLN 40 1HB GLN 40 -0.981 -0.221 9.597 168 1HG GLN 40 2HG GLN 40 -0.171 1.162 11.446 169 2HG GLN 40 1HG GLN 40 1.117 0.711 10.329 170 1HE2 GLN 40 1HE2 GLN 40 -1.347 3.252 10.177 171 2HE2 GLN 40 2HE2 GLN 40 -0.228 4.569 10.038 172 H LEU 41 H LEU 41 1.374 -0.607 7.353 173 HA LEU 41 HA LEU 41 -0.456 -2.259 5.751 174 1HB LEU 41 2HB LEU 41 2.527 -2.499 5.655 175 2HB LEU 41 1HB LEU 41 1.349 -2.917 4.428 176 HG LEU 41 HG LEU 41 0.921 -0.304 4.430 177 1HD1 LEU 41 1HD1 LEU 41 3.559 -0.655 5.761 178 2HD1 LEU 41 2HD1 LEU 41 2.310 0.559 6.029 179 3HD1 LEU 41 3HD1 LEU 41 3.356 0.668 4.614 180 1HD2 LEU 41 1HD2 LEU 41 3.437 -1.020 3.057 181 2HD2 LEU 41 2HD2 LEU 41 1.955 -0.304 2.420 182 3HD2 LEU 41 3HD2 LEU 41 2.038 -2.040 2.720 183 H GLN 42 H GLN 42 -1.193 -3.977 6.808 184 HA GLN 42 HA GLN 42 0.320 -5.108 9.013 185 1HB GLN 42 2HB GLN 42 -2.434 -5.655 7.910 186 2HB GLN 42 1HB GLN 42 -1.727 -6.599 9.213 187 1HG GLN 42 2HG GLN 42 -1.417 -4.373 10.421 188 2HG GLN 42 1HG GLN 42 -2.516 -3.709 9.213 189 1HE2 GLN 42 1HE2 GLN 42 -4.391 -5.545 8.878 190 2HE2 GLN 42 2HE2 GLN 42 -5.230 -5.879 10.359 191 H GLY 43 H GLY 43 1.307 -7.063 9.040 192 1HA GLY 43 2HA GLY 43 1.649 -8.375 6.450 193 2HA GLY 43 1HA GLY 43 2.653 -8.612 7.870 194 H SER 44 H SER 44 -0.808 -8.698 8.156 195 HA SER 44 HA SER 44 -0.786 -11.630 8.163 196 1HB SER 44 2HB SER 44 -1.734 -11.824 10.296 197 2HB SER 44 1HB SER 44 -0.532 -10.551 10.512 198 HG SER 44 HG SER 44 -2.164 -9.027 10.400 199 H VAL 45 H VAL 45 -2.942 -12.579 8.047 200 HA VAL 45 HA VAL 45 -4.935 -10.753 6.876 201 HB VAL 45 HB VAL 45 -4.390 -13.564 5.919 202 1HG1 VAL 45 1HG1 VAL 45 -6.519 -13.293 5.222 203 2HG1 VAL 45 2HG1 VAL 45 -5.758 -12.355 3.937 204 3HG1 VAL 45 3HG1 VAL 45 -6.449 -11.536 5.338 205 1HG2 VAL 45 1HG2 VAL 45 -2.671 -12.711 4.788 206 2HG2 VAL 45 2HG2 VAL 45 -3.078 -11.068 5.280 207 3HG2 VAL 45 3HG2 VAL 45 -3.841 -11.777 3.857 208 H PHE 46 H PHE 46 -4.309 -12.851 9.354 209 HA PHE 46 HA PHE 46 -7.123 -13.087 9.985 210 1HB PHE 46 2HB PHE 46 -5.466 -15.384 9.137 211 2HB PHE 46 1HB PHE 46 -6.424 -15.638 10.593 212 HD1 PHE 46 1HD PHE 46 -6.552 -14.941 6.994 213 HD2 PHE 46 2HD PHE 46 -8.809 -15.775 10.504 214 HE1 PHE 46 1HE PHE 46 -8.534 -15.386 5.608 215 HE2 PHE 46 2HE PHE 46 -10.797 -16.223 9.123 216 HZ PHE 46 HZ PHE 46 -10.659 -16.029 6.672 217 H ALA 47 H ALA 47 -7.431 -14.031 12.200 218 HA ALA 47 HA ALA 47 -5.096 -13.829 13.937 219 1HB ALA 47 1HB ALA 47 -6.153 -11.543 13.716 220 2HB ALA 47 2HB ALA 47 -5.988 -12.165 15.359 221 3HB ALA 47 3HB ALA 47 -7.555 -12.210 14.552 222 H THR 48 H THR 48 -5.234 -15.888 14.676 223 HA THR 48 HA THR 48 -7.228 -16.509 16.574 224 HB THR 48 HB THR 48 -7.192 -18.425 14.273 225 HG1 THR 48 1HG THR 48 -8.323 -17.107 13.130 226 1HG2 THR 48 1HG2 THR 48 -8.451 -19.551 15.719 227 2HG2 THR 48 2HG2 THR 48 -9.713 -18.390 15.306 228 3HG2 THR 48 3HG2 THR 48 -8.715 -18.136 16.739 229 H GLU 49 H GLU 49 -4.647 -17.666 14.540 230 HA GLU 49 HA GLU 49 -3.302 -18.805 16.820 231 1HB GLU 49 2HB GLU 49 -4.895 -20.593 16.005 232 2HB GLU 49 1HB GLU 49 -3.962 -20.639 14.517 233 1HG GLU 49 2HG GLU 49 -2.968 -22.336 15.651 234 2HG GLU 49 1HG GLU 49 -1.954 -20.994 16.181 235 H THR 50 H THR 50 -1.378 -17.888 16.567 236 HA THR 50 HA THR 50 0.599 -17.217 15.667 237 HB THR 50 HB THR 50 0.536 -19.074 13.393 238 HG1 THR 50 1HG THR 50 0.305 -20.058 16.040 239 1HG2 THR 50 1HG2 THR 50 2.530 -19.937 14.946 240 2HG2 THR 50 2HG2 THR 50 2.398 -18.276 15.528 241 3HG2 THR 50 3HG2 THR 50 2.689 -18.591 13.817 242 H LEU 51 H LEU 51 1.634 -16.953 13.202 243 HA LEU 51 HA LEU 51 -0.347 -15.581 11.541 244 1HB LEU 51 2HB LEU 51 0.967 -14.072 13.258 245 2HB LEU 51 1HB LEU 51 2.249 -14.205 12.071 246 HG LEU 51 HG LEU 51 -0.478 -12.982 11.695 247 1HD1 LEU 51 1HD1 LEU 51 1.341 -11.191 10.815 248 2HD1 LEU 51 2HD1 LEU 51 2.262 -11.991 12.091 249 3HD1 LEU 51 3HD1 LEU 51 0.712 -11.235 12.462 250 1HD2 LEU 51 1HD2 LEU 51 -0.230 -14.014 9.650 251 2HD2 LEU 51 2HD2 LEU 51 1.531 -13.903 9.687 252 3HD2 LEU 51 3HD2 LEU 51 0.563 -12.465 9.365 253 H SER 52 H SER 52 -0.104 -16.205 9.495 254 HA SER 52 HA SER 52 2.514 -16.472 8.315 255 1HB SER 52 2HB SER 52 1.245 -18.758 9.402 256 2HB SER 52 1HB SER 52 1.168 -18.901 7.647 257 HG SER 52 HG SER 52 3.179 -19.469 7.749 258 H SER 53 H SER 53 -0.072 -15.030 7.986 259 HA SER 53 HA SER 53 -0.916 -15.910 5.332 260 1HB SER 53 2HB SER 53 -2.158 -13.503 6.518 261 2HB SER 53 1HB SER 53 -2.910 -14.887 5.725 262 HG SER 53 HG SER 53 -3.435 -15.372 7.711 263 HA PRO 54 HA PRO 54 1.336 -12.955 2.984 264 1HB PRO 54 2HB PRO 54 -1.226 -12.159 1.703 265 2HB PRO 54 1HB PRO 54 0.271 -12.736 0.963 266 1HG PRO 54 2HG PRO 54 -1.863 -14.323 1.135 267 2HG PRO 54 1HG PRO 54 -0.226 -14.963 1.375 268 1HD PRO 54 2HD PRO 54 -2.329 -14.316 3.401 269 2HD PRO 54 1HD PRO 54 -1.168 -15.660 3.368 270 HA PRO 55 HA PRO 55 0.565 -9.038 4.943 271 1HB PRO 55 2HB PRO 55 2.566 -7.626 3.893 272 2HB PRO 55 1HB PRO 55 2.887 -8.992 4.969 273 1HG PRO 55 2HG PRO 55 3.062 -8.840 1.990 274 2HG PRO 55 1HG PRO 55 4.127 -9.674 3.136 275 1HD PRO 55 2HD PRO 55 2.093 -10.872 1.660 276 2HD PRO 55 1HD PRO 55 2.840 -11.552 3.118 277 H LEU 56 H LEU 56 -0.466 -7.108 4.563 278 HA LEU 56 HA LEU 56 -0.616 -5.921 1.964 279 1HB LEU 56 2HB LEU 56 -3.177 -6.097 1.929 280 2HB LEU 56 1HB LEU 56 -2.243 -7.479 1.392 281 HG LEU 56 HG LEU 56 -4.255 -7.976 2.842 282 1HD1 LEU 56 1HD1 LEU 56 -1.934 -9.296 2.538 283 2HD1 LEU 56 2HD1 LEU 56 -3.291 -9.900 3.489 284 3HD1 LEU 56 3HD1 LEU 56 -1.946 -9.088 4.289 285 1HD2 LEU 56 1HD2 LEU 56 -2.478 -7.075 5.098 286 2HD2 LEU 56 2HD2 LEU 56 -4.152 -7.627 5.179 287 3HD2 LEU 56 3HD2 LEU 56 -3.771 -6.076 4.432 288 H ILE 57 H ILE 57 -2.254 -4.065 1.984 289 HA ILE 57 HA ILE 57 -1.779 -2.519 4.368 290 HB ILE 57 HB ILE 57 -3.254 -1.844 1.820 291 1HG1 ILE 57 2HG1 ILE 57 -0.743 -0.473 2.545 292 2HG1 ILE 57 1HG1 ILE 57 -0.580 -2.183 2.159 293 1HG2 ILE 57 1HG2 ILE 57 -3.143 0.494 2.576 294 2HG2 ILE 57 2HG2 ILE 57 -2.483 -0.048 4.118 295 3HG2 ILE 57 3HG2 ILE 57 -4.120 -0.504 3.652 296 1HD1 ILE 57 1HD1 ILE 57 -0.270 -0.562 0.256 297 2HD1 ILE 57 2HD1 ILE 57 -2.003 -0.250 0.360 298 3HD1 ILE 57 3HD1 ILE 57 -1.419 -1.872 -0.017 299 H SER 58 H SER 58 -3.264 -1.892 5.898 300 HA SER 58 HA SER 58 -6.080 -2.400 5.511 301 1HB SER 58 2HB SER 58 -4.502 -3.982 7.550 302 2HB SER 58 1HB SER 58 -6.263 -3.884 7.514 303 HG SER 58 HG SER 58 -6.139 -4.761 5.367 304 H TYR 59 H TYR 59 -4.922 0.015 5.896 305 HA TYR 59 HA TYR 59 -6.289 0.987 8.159 306 1HB TYR 59 2HB TYR 59 -4.358 -0.026 9.342 307 2HB TYR 59 1HB TYR 59 -3.279 1.024 8.431 308 HD1 TYR 59 1HD TYR 59 -5.612 0.801 11.205 309 HD2 TYR 59 2HD TYR 59 -3.302 3.468 8.826 310 HE1 TYR 59 1HE TYR 59 -5.897 2.557 12.905 311 HE2 TYR 59 2HE TYR 59 -3.581 5.229 10.519 312 HH TYR 59 HH TYR 59 -5.841 5.049 13.005 313 H ILE 60 H ILE 60 -6.744 3.068 7.903 314 HA ILE 60 HA ILE 60 -4.982 4.841 6.443 315 HB ILE 60 HB ILE 60 -7.741 5.024 5.423 316 1HG1 ILE 60 2HG1 ILE 60 -5.942 2.716 4.638 317 2HG1 ILE 60 1HG1 ILE 60 -7.531 2.598 5.386 318 1HG2 ILE 60 1HG2 ILE 60 -5.744 6.405 4.746 319 2HG2 ILE 60 2HG2 ILE 60 -6.651 5.673 3.422 320 3HG2 ILE 60 3HG2 ILE 60 -5.122 4.964 3.941 321 1HD1 ILE 60 1HD1 ILE 60 -7.380 2.154 2.896 322 2HD1 ILE 60 2HD1 ILE 60 -7.123 3.889 2.711 323 3HD1 ILE 60 3HD1 ILE 60 -8.618 3.291 3.430 324 H GLU 61 H GLU 61 -5.516 7.085 6.759 325 HA GLU 61 HA GLU 61 -7.165 7.470 9.155 326 1HB GLU 61 2HB GLU 61 -4.623 8.329 8.562 327 2HB GLU 61 1HB GLU 61 -5.591 9.756 8.220 328 1HG GLU 61 2HG GLU 61 -5.876 10.185 10.375 329 2HG GLU 61 1HG GLU 61 -6.367 8.527 10.716 330 H ALA 62 H ALA 62 -8.547 9.294 9.342 331 HA ALA 62 HA ALA 62 -9.943 9.858 6.856 332 1HB ALA 62 1HB ALA 62 -11.542 11.031 8.518 333 2HB ALA 62 2HB ALA 62 -10.602 10.196 9.755 334 3HB ALA 62 3HB ALA 62 -11.452 9.270 8.518 335 H ASP 63 H ASP 63 -7.419 11.007 7.097 336 HA ASP 63 HA ASP 63 -7.827 13.595 6.246 337 1HB ASP 63 2HB ASP 63 -7.656 13.339 9.168 338 2HB ASP 63 1HB ASP 63 -6.528 14.508 8.488 339 H SER 64 H SER 64 -6.214 11.188 5.830 340 HA SER 64 HA SER 64 -3.533 12.401 5.909 341 1HB SER 64 2HB SER 64 -2.667 10.042 5.942 342 2HB SER 64 1HB SER 64 -3.540 10.516 7.400 343 HG SER 64 HG SER 64 -4.776 9.163 5.242 344 HA PRO 65 HA PRO 65 -3.503 12.479 1.482 345 1HB PRO 65 2HB PRO 65 -0.762 11.340 1.880 346 2HB PRO 65 1HB PRO 65 -1.284 12.673 0.843 347 1HG PRO 65 2HG PRO 65 -0.078 13.153 3.170 348 2HG PRO 65 1HG PRO 65 -1.415 14.171 2.606 349 1HD PRO 65 2HD PRO 65 -1.370 12.129 4.761 350 2HD PRO 65 1HD PRO 65 -2.374 13.584 4.601 351 H ALA 66 H ALA 66 -2.496 9.615 3.260 352 HA ALA 66 HA ALA 66 -2.434 7.804 1.111 353 1HB ALA 66 1HB ALA 66 -3.255 7.055 3.900 354 2HB ALA 66 2HB ALA 66 -1.589 7.468 3.494 355 3HB ALA 66 3HB ALA 66 -2.372 6.092 2.715 356 H GLU 67 H GLU 67 -5.043 8.789 3.286 357 HA GLU 67 HA GLU 67 -6.974 7.043 2.069 358 1HB GLU 67 2HB GLU 67 -7.352 7.504 4.351 359 2HB GLU 67 1HB GLU 67 -7.109 9.228 4.131 360 1HG GLU 67 2HG GLU 67 -9.439 8.735 4.529 361 2HG GLU 67 1HG GLU 67 -9.211 9.370 2.900 362 H ARG 68 H ARG 68 -6.431 10.561 2.096 363 HA ARG 68 HA ARG 68 -8.514 11.072 0.213 364 1HB ARG 68 2HB ARG 68 -7.295 13.357 0.065 365 2HB ARG 68 1HB ARG 68 -8.112 12.908 1.555 366 1HG ARG 68 2HG ARG 68 -5.392 11.996 1.603 367 2HG ARG 68 1HG ARG 68 -5.461 13.718 1.232 368 1HD ARG 68 2HD ARG 68 -5.316 13.339 3.639 369 2HD ARG 68 1HD ARG 68 -6.837 14.104 3.202 370 HE ARG 68 HE ARG 68 -6.487 11.314 4.069 371 1HH1 ARG 68 1HH1 ARG 68 -8.611 13.969 3.224 372 2HH1 ARG 68 2HH1 ARG 68 -10.003 13.244 3.951 373 1HH2 ARG 68 1HH2 ARG 68 -8.329 10.380 5.033 374 2HH2 ARG 68 2HH2 ARG 68 -9.846 11.212 4.971 375 H CYS 69 H CYS 69 -5.460 9.763 -0.170 376 HA CYS 69 HA CYS 69 -4.417 10.918 -2.448 377 1HB CYS 69 2HB CYS 69 -4.052 8.482 -0.995 378 2HB CYS 69 1HB CYS 69 -4.092 8.104 -2.713 379 HG CYS 69 HG CYS 69 -1.933 9.288 -3.056 380 H GLY 70 H GLY 70 -7.215 8.876 -2.111 381 1HA GLY 70 2HA GLY 70 -8.846 8.275 -3.609 382 2HA GLY 70 1HA GLY 70 -8.235 9.553 -4.648 383 H VAL 71 H VAL 71 -6.673 6.577 -3.499 384 HA VAL 71 HA VAL 71 -6.930 5.196 -5.963 385 HB VAL 71 HB VAL 71 -5.325 6.910 -6.704 386 1HG1 VAL 71 1HG1 VAL 71 -3.627 5.803 -4.478 387 2HG1 VAL 71 2HG1 VAL 71 -4.185 7.463 -4.692 388 3HG1 VAL 71 3HG1 VAL 71 -2.989 6.785 -5.795 389 1HG2 VAL 71 1HG2 VAL 71 -3.405 4.890 -6.952 390 2HG2 VAL 71 2HG2 VAL 71 -4.705 5.277 -8.080 391 3HG2 VAL 71 3HG2 VAL 71 -4.956 4.056 -6.832 392 H LEU 72 H LEU 72 -7.354 4.544 -3.280 393 HA LEU 72 HA LEU 72 -6.063 2.059 -3.097 394 1HB LEU 72 2HB LEU 72 -4.714 2.436 -1.060 395 2HB LEU 72 1HB LEU 72 -4.087 3.266 -2.470 396 HG LEU 72 HG LEU 72 -5.894 4.896 -0.824 397 1HD1 LEU 72 1HD1 LEU 72 -3.257 4.819 0.400 398 2HD1 LEU 72 2HD1 LEU 72 -4.154 3.318 0.610 399 3HD1 LEU 72 3HD1 LEU 72 -4.855 4.844 1.146 400 1HD2 LEU 72 1HD2 LEU 72 -3.679 6.333 -1.077 401 2HD2 LEU 72 2HD2 LEU 72 -4.843 6.166 -2.393 402 3HD2 LEU 72 3HD2 LEU 72 -3.382 5.178 -2.377 403 H GLN 73 H GLN 73 -6.969 0.748 -1.530 404 HA GLN 73 HA GLN 73 -8.800 1.959 0.401 405 1HB GLN 73 2HB GLN 73 -9.656 -0.262 -1.462 406 2HB GLN 73 1HB GLN 73 -10.640 0.513 -0.228 407 1HG GLN 73 2HG GLN 73 -10.755 2.529 -1.444 408 2HG GLN 73 1HG GLN 73 -9.477 2.021 -2.547 409 1HE2 GLN 73 1HE2 GLN 73 -11.732 2.944 -3.631 410 2HE2 GLN 73 2HE2 GLN 73 -12.663 1.656 -4.326 411 H ILE 74 H ILE 74 -9.925 -0.141 1.559 412 HA ILE 74 HA ILE 74 -7.710 -1.422 2.874 413 HB ILE 74 HB ILE 74 -10.655 -1.938 3.295 414 1HG1 ILE 74 2HG1 ILE 74 -10.123 0.460 3.546 415 2HG1 ILE 74 1HG1 ILE 74 -10.553 -0.279 5.085 416 1HG2 ILE 74 1HG2 ILE 74 -8.724 -2.152 5.507 417 2HG2 ILE 74 2HG2 ILE 74 -8.577 -3.371 4.240 418 3HG2 ILE 74 3HG2 ILE 74 -10.105 -3.169 5.099 419 1HD1 ILE 74 1HD1 ILE 74 -8.737 1.023 5.636 420 2HD1 ILE 74 2HD1 ILE 74 -7.896 0.676 4.124 421 3HD1 ILE 74 3HD1 ILE 74 -7.999 -0.558 5.381 422 H GLY 75 H GLY 75 -6.927 -2.588 0.968 423 1HA GLY 75 2HA GLY 75 -7.359 -5.284 1.020 424 2HA GLY 75 1HA GLY 75 -8.527 -4.695 -0.152 425 H ASP 76 H ASP 76 -5.250 -3.507 0.462 426 HA ASP 76 HA ASP 76 -4.581 -4.201 -2.321 427 1HB ASP 76 2HB ASP 76 -3.646 -1.929 -0.567 428 2HB ASP 76 1HB ASP 76 -2.840 -2.362 -2.071 429 H ARG 77 H ARG 77 -3.185 -5.807 -2.546 430 HA ARG 77 HA ARG 77 -1.591 -6.676 -0.283 431 1HB ARG 77 2HB ARG 77 -2.402 -7.837 -2.895 432 2HB ARG 77 1HB ARG 77 -0.893 -8.408 -2.197 433 1HG ARG 77 2HG ARG 77 -2.509 -9.913 -1.445 434 2HG ARG 77 1HG ARG 77 -2.223 -8.842 -0.072 435 1HD ARG 77 2HD ARG 77 -4.379 -8.327 -0.018 436 2HD ARG 77 1HD ARG 77 -4.279 -7.696 -1.660 437 HE ARG 77 HE ARG 77 -5.276 -10.293 -0.838 438 1HH1 ARG 77 1HH1 ARG 77 -4.245 -8.257 -3.482 439 2HH1 ARG 77 2HH1 ARG 77 -5.067 -9.193 -4.684 440 1HH2 ARG 77 1HH2 ARG 77 -6.354 -11.520 -2.419 441 2HH2 ARG 77 2HH2 ARG 77 -6.264 -11.044 -4.082 442 H VAL 78 H VAL 78 0.040 -5.173 -0.044 443 HA VAL 78 HA VAL 78 1.625 -4.235 -2.225 444 HB VAL 78 HB VAL 78 2.717 -4.228 0.556 445 1HG1 VAL 78 1HG1 VAL 78 3.578 -2.087 -0.081 446 2HG1 VAL 78 2HG1 VAL 78 2.591 -2.070 -1.542 447 3HG1 VAL 78 3HG1 VAL 78 3.913 -3.227 -1.386 448 1HG2 VAL 78 1HG2 VAL 78 1.179 -1.920 0.419 449 2HG2 VAL 78 2HG2 VAL 78 0.877 -3.329 1.435 450 3HG2 VAL 78 3HG2 VAL 78 0.101 -3.197 -0.141 451 H MET 79 H MET 79 3.480 -5.034 -3.079 452 HA MET 79 HA MET 79 5.048 -7.010 -1.679 453 1HB MET 79 2HB MET 79 2.972 -8.021 -3.117 454 2HB MET 79 1HB MET 79 4.243 -8.014 -4.332 455 1HG MET 79 2HG MET 79 4.728 -9.183 -1.625 456 2HG MET 79 1HG MET 79 3.902 -10.110 -2.876 457 1HE MET 79 1HE MET 79 6.575 -10.473 -5.643 458 2HE MET 79 2HE MET 79 5.131 -9.470 -5.514 459 3HE MET 79 3HE MET 79 5.086 -11.151 -4.984 460 H ALA 80 H ALA 80 5.391 -4.349 -2.889 461 HA ALA 80 HA ALA 80 7.939 -4.678 -3.986 462 1HB ALA 80 1HB ALA 80 6.994 -3.649 -6.330 463 2HB ALA 80 2HB ALA 80 5.746 -4.826 -5.922 464 3HB ALA 80 3HB ALA 80 7.427 -5.338 -6.067 465 H ILE 81 H ILE 81 7.694 -3.054 -2.161 466 HA ILE 81 HA ILE 81 6.776 -0.422 -3.006 467 HB ILE 81 HB ILE 81 8.045 -1.193 -0.378 468 1HG1 ILE 81 2HG1 ILE 81 5.522 -1.008 0.332 469 2HG1 ILE 81 1HG1 ILE 81 5.222 -1.383 -1.365 470 1HG2 ILE 81 1HG2 ILE 81 7.002 1.286 -1.510 471 2HG2 ILE 81 2HG2 ILE 81 8.070 1.029 -0.131 472 3HG2 ILE 81 3HG2 ILE 81 6.324 0.893 0.069 473 1HD1 ILE 81 1HD1 ILE 81 7.140 -3.135 0.018 474 2HD1 ILE 81 2HD1 ILE 81 5.864 -3.523 -1.138 475 3HD1 ILE 81 3HD1 ILE 81 5.463 -3.234 0.556 476 H ASN 82 H ASN 82 8.083 0.957 -3.988 477 HA ASN 82 HA ASN 82 9.976 1.856 -4.897 478 1HB ASN 82 2HB ASN 82 11.496 2.797 -3.289 479 2HB ASN 82 1HB ASN 82 9.876 2.853 -2.602 480 1HD2 ASN 82 1HD2 ASN 82 9.647 2.137 -0.614 481 2HD2 ASN 82 2HD2 ASN 82 10.749 1.097 0.227 482 H GLY 83 H GLY 83 9.842 -1.067 -4.947 483 1HA GLY 83 2HA GLY 83 11.477 -2.359 -6.171 484 2HA GLY 83 1HA GLY 83 12.732 -1.578 -5.221 485 H ILE 84 H ILE 84 11.416 -1.868 -2.682 486 HA ILE 84 HA ILE 84 12.261 -4.537 -2.061 487 HB ILE 84 HB ILE 84 10.828 -2.622 -0.228 488 1HG1 ILE 84 2HG1 ILE 84 12.848 -1.631 -1.426 489 2HG1 ILE 84 1HG1 ILE 84 12.891 -1.603 0.334 490 1HG2 ILE 84 1HG2 ILE 84 11.088 -4.976 0.509 491 2HG2 ILE 84 2HG2 ILE 84 11.920 -3.815 1.544 492 3HG2 ILE 84 3HG2 ILE 84 12.837 -4.780 0.388 493 1HD1 ILE 84 1HD1 ILE 84 14.115 -3.962 -0.923 494 2HD1 ILE 84 2HD1 ILE 84 14.665 -2.978 0.434 495 3HD1 ILE 84 3HD1 ILE 84 14.926 -2.424 -1.220 496 HA PRO 85 HA PRO 85 8.019 -6.029 -2.515 497 1HB PRO 85 2HB PRO 85 8.607 -8.526 -3.229 498 2HB PRO 85 1HB PRO 85 8.881 -7.178 -4.340 499 1HG PRO 85 2HG PRO 85 10.841 -8.734 -2.733 500 2HG PRO 85 1HG PRO 85 11.035 -7.982 -4.325 501 1HD PRO 85 2HD PRO 85 11.865 -6.930 -1.828 502 2HD PRO 85 1HD PRO 85 11.859 -6.092 -3.390 503 H THR 86 H THR 86 8.160 -5.657 -0.040 504 HA THR 86 HA THR 86 8.910 -7.671 1.735 505 HB THR 86 HB THR 86 8.448 -5.566 2.677 506 HG1 THR 86 1HG THR 86 6.147 -7.079 3.334 507 1HG2 THR 86 1HG2 THR 86 5.716 -5.088 2.482 508 2HG2 THR 86 2HG2 THR 86 6.234 -5.502 0.848 509 3HG2 THR 86 3HG2 THR 86 7.021 -4.183 1.714 510 H GLU 87 H GLU 87 8.291 -9.727 1.428 511 HA GLU 87 HA GLU 87 5.404 -10.276 1.404 512 1HB GLU 87 2HB GLU 87 6.547 -10.556 -0.870 513 2HB GLU 87 1HB GLU 87 7.376 -11.932 -0.157 514 1HG GLU 87 2HG GLU 87 4.700 -12.338 0.456 515 2HG GLU 87 1HG GLU 87 4.693 -11.726 -1.197 516 H ASP 88 H ASP 88 4.814 -11.549 3.025 517 HA ASP 88 HA ASP 88 4.890 -12.988 4.784 518 1HB ASP 88 2HB ASP 88 6.626 -14.244 2.729 519 2HB ASP 88 1HB ASP 88 6.754 -14.883 4.365 520 H SER 89 H SER 89 6.576 -10.609 4.820 521 HA SER 89 HA SER 89 8.851 -11.504 6.445 522 1HB SER 89 2HB SER 89 9.828 -9.351 6.080 523 2HB SER 89 1HB SER 89 9.209 -9.896 4.521 524 HG SER 89 HG SER 89 8.505 -7.833 4.736 525 H THR 90 H THR 90 9.295 -9.341 8.027 526 HA THR 90 HA THR 90 7.168 -9.616 9.980 527 HB THR 90 HB THR 90 9.727 -8.035 10.243 528 HG1 THR 90 1HG THR 90 10.382 -10.080 9.801 529 1HG2 THR 90 1HG2 THR 90 7.925 -9.293 12.297 530 2HG2 THR 90 2HG2 THR 90 8.173 -7.569 12.019 531 3HG2 THR 90 3HG2 THR 90 9.495 -8.563 12.631 532 H PHE 91 H PHE 91 6.374 -7.698 11.161 533 HA PHE 91 HA PHE 91 5.182 -5.842 9.440 534 1HB PHE 91 2HB PHE 91 5.524 -5.983 12.420 535 2HB PHE 91 1HB PHE 91 4.795 -4.563 11.679 536 HD1 PHE 91 1HD PHE 91 4.469 -8.191 10.892 537 HD2 PHE 91 2HD PHE 91 2.544 -4.610 12.149 538 HE1 PHE 91 1HE PHE 91 2.296 -9.343 10.834 539 HE2 PHE 91 2HE PHE 91 0.367 -5.757 12.095 540 HZ PHE 91 HZ PHE 91 0.242 -8.126 11.437 541 H GLU 92 H GLU 92 8.230 -5.791 11.110 542 HA GLU 92 HA GLU 92 8.767 -3.053 11.122 543 1HB GLU 92 2HB GLU 92 10.590 -5.447 10.920 544 2HB GLU 92 1HB GLU 92 11.198 -3.802 11.048 545 1HG GLU 92 2HG GLU 92 9.834 -3.604 13.165 546 2HG GLU 92 1HG GLU 92 9.596 -5.348 13.061 547 H GLU 93 H GLU 93 8.999 -5.423 8.550 548 HA GLU 93 HA GLU 93 10.575 -3.978 6.746 549 1HB GLU 93 2HB GLU 93 9.039 -6.378 6.725 550 2HB GLU 93 1HB GLU 93 8.599 -5.447 5.301 551 1HG GLU 93 2HG GLU 93 11.368 -6.315 6.098 552 2HG GLU 93 1HG GLU 93 10.396 -6.959 4.776 553 H ALA 94 H ALA 94 7.026 -4.174 6.993 554 HA ALA 94 HA ALA 94 6.420 -2.367 4.957 555 1HB ALA 94 1HB ALA 94 4.415 -3.153 5.513 556 2HB ALA 94 2HB ALA 94 4.424 -2.048 6.887 557 3HB ALA 94 3HB ALA 94 5.007 -3.701 7.081 558 H ASN 95 H ASN 95 6.743 -1.773 8.455 559 HA ASN 95 HA ASN 95 6.273 0.985 8.375 560 1HB ASN 95 2HB ASN 95 7.700 -0.829 10.291 561 2HB ASN 95 1HB ASN 95 7.781 0.916 10.519 562 1HD2 ASN 95 1HD2 ASN 95 5.464 -1.705 9.992 563 2HD2 ASN 95 2HD2 ASN 95 4.217 -1.035 10.992 564 H GLN 96 H GLN 96 9.177 -0.892 7.799 565 HA GLN 96 HA GLN 96 11.048 1.180 7.883 566 1HB GLN 96 2HB GLN 96 11.416 -1.368 7.786 567 2HB GLN 96 1HB GLN 96 11.264 -1.187 6.042 568 1HG GLN 96 2HG GLN 96 13.315 -0.364 5.838 569 2HG GLN 96 1HG GLN 96 13.116 0.714 7.219 570 1HE2 GLN 96 1HE2 GLN 96 12.692 -0.984 9.269 571 2HE2 GLN 96 2HE2 GLN 96 14.076 -1.998 9.517 572 H LEU 97 H LEU 97 9.023 -0.074 5.283 573 HA LEU 97 HA LEU 97 10.157 1.501 3.215 574 1HB LEU 97 2HB LEU 97 7.326 0.478 3.277 575 2HB LEU 97 1HB LEU 97 8.326 0.799 1.873 576 HG LEU 97 HG LEU 97 9.311 -1.264 3.761 577 1HD1 LEU 97 1HD1 LEU 97 7.751 -2.848 3.372 578 2HD1 LEU 97 2HD1 LEU 97 7.355 -2.222 1.773 579 3HD1 LEU 97 3HD1 LEU 97 6.699 -1.443 3.211 580 1HD2 LEU 97 1HD2 LEU 97 10.717 -1.191 1.992 581 2HD2 LEU 97 2HD2 LEU 97 9.479 -0.585 0.890 582 3HD2 LEU 97 3HD2 LEU 97 9.528 -2.299 1.306 583 H LEU 98 H LEU 98 7.505 1.988 5.479 584 HA LEU 98 HA LEU 98 6.534 4.385 4.292 585 1HB LEU 98 2HB LEU 98 6.226 3.243 7.066 586 2HB LEU 98 1HB LEU 98 5.415 4.701 6.526 587 HG LEU 98 HG LEU 98 5.017 1.907 5.456 588 1HD1 LEU 98 1HD1 LEU 98 3.409 3.763 7.166 589 2HD1 LEU 98 2HD1 LEU 98 3.796 2.063 7.422 590 3HD1 LEU 98 3HD1 LEU 98 2.625 2.525 6.188 591 1HD2 LEU 98 1HD2 LEU 98 3.233 2.988 4.067 592 2HD2 LEU 98 2HD2 LEU 98 4.884 3.371 3.582 593 3HD2 LEU 98 3HD2 LEU 98 3.938 4.549 4.491 594 H ARG 99 H ARG 99 8.838 3.668 6.866 595 HA ARG 99 HA ARG 99 9.240 6.330 7.720 596 1HB ARG 99 2HB ARG 99 10.892 3.824 7.937 597 2HB ARG 99 1HB ARG 99 11.469 5.361 8.564 598 1HG ARG 99 2HG ARG 99 9.405 5.488 9.954 599 2HG ARG 99 1HG ARG 99 9.012 3.853 9.419 600 1HD ARG 99 2HD ARG 99 10.594 2.905 10.723 601 2HD ARG 99 1HD ARG 99 11.734 4.229 10.480 602 HE ARG 99 HE ARG 99 9.486 4.921 12.133 603 1HH1 ARG 99 1HH1 ARG 99 12.687 3.533 12.091 604 2HH1 ARG 99 2HH1 ARG 99 13.000 3.888 13.756 605 1HH2 ARG 99 1HH2 ARG 99 9.893 5.388 14.325 606 2HH2 ARG 99 2HH2 ARG 99 11.413 4.940 15.025 607 H ASP 100 H ASP 100 10.656 4.395 5.163 608 HA ASP 100 HA ASP 100 12.791 6.179 4.576 609 1HB ASP 100 2HB ASP 100 11.884 3.638 3.656 610 2HB ASP 100 1HB ASP 100 12.084 4.684 2.253 611 H SER 101 H SER 101 9.484 6.431 4.093 612 HA SER 101 HA SER 101 9.548 7.868 1.604 613 1HB SER 101 2HB SER 101 7.294 7.838 3.611 614 2HB SER 101 1HB SER 101 7.192 8.125 1.875 615 HG SER 101 HG SER 101 7.722 5.702 3.233 616 H SER 102 H SER 102 9.570 8.645 5.018 617 HA SER 102 HA SER 102 8.984 11.394 4.812 618 1HB SER 102 2HB SER 102 9.300 9.702 6.894 619 2HB SER 102 1HB SER 102 10.848 10.543 6.954 620 HG SER 102 HG SER 102 9.047 11.508 8.167 621 H ILE 103 H ILE 103 11.945 9.561 4.430 622 HA ILE 103 HA ILE 103 13.872 11.509 4.661 623 HB ILE 103 HB ILE 103 13.833 9.300 2.621 624 1HG1 ILE 103 2HG1 ILE 103 13.370 8.449 4.854 625 2HG1 ILE 103 1HG1 ILE 103 14.998 8.017 4.369 626 1HG2 ILE 103 1HG2 ILE 103 15.983 11.067 3.729 627 2HG2 ILE 103 2HG2 ILE 103 15.643 10.645 2.051 628 3HG2 ILE 103 3HG2 ILE 103 16.363 9.452 3.131 629 1HD1 ILE 103 1HD1 ILE 103 15.713 8.847 6.284 630 2HD1 ILE 103 2HD1 ILE 103 14.118 9.504 6.647 631 3HD1 ILE 103 3HD1 ILE 103 15.264 10.446 5.693 632 H THR 104 H THR 104 12.283 10.512 1.626 633 HA THR 104 HA THR 104 13.158 13.007 0.377 634 HB THR 104 HB THR 104 13.635 11.119 -0.972 635 HG1 THR 104 1HG THR 104 11.200 12.140 -1.993 636 1HG2 THR 104 1HG2 THR 104 12.491 9.257 -0.486 637 2HG2 THR 104 2HG2 THR 104 11.405 9.825 -1.755 638 3HG2 THR 104 3HG2 THR 104 11.025 10.140 -0.063 639 H SER 105 H SER 105 10.607 12.093 2.182 640 HA SER 105 HA SER 105 8.571 13.022 2.575 641 1HB SER 105 2HB SER 105 9.769 15.153 1.885 642 2HB SER 105 1HB SER 105 9.080 14.917 0.280 643 HG SER 105 HG SER 105 7.802 16.280 1.647 644 H LYS 106 H LYS 106 9.291 11.141 0.119 645 HA LYS 106 HA LYS 106 6.532 10.766 -0.626 646 1HB LYS 106 2HB LYS 106 7.216 12.482 -2.237 647 2HB LYS 106 1HB LYS 106 8.578 11.487 -2.733 648 1HG LYS 106 2HG LYS 106 6.996 9.766 -3.518 649 2HG LYS 106 1HG LYS 106 5.661 10.838 -3.093 650 1HD LYS 106 2HD LYS 106 7.852 11.725 -4.942 651 2HD LYS 106 1HD LYS 106 6.467 10.807 -5.535 652 1HE LYS 106 2HE LYS 106 5.530 12.834 -5.792 653 2HE LYS 106 1HE LYS 106 5.227 12.713 -4.061 654 1HZ LYS 106 1HZ LYS 106 7.082 14.409 -5.500 655 2HZ LYS 106 2HZ LYS 106 7.704 13.712 -4.091 656 3HZ LYS 106 3HZ LYS 106 6.308 14.662 -4.016 657 H VAL 107 H VAL 107 6.160 8.785 -1.769 658 HA VAL 107 HA VAL 107 8.390 6.962 -2.107 659 HB VAL 107 HB VAL 107 7.814 6.776 0.299 660 1HG1 VAL 107 1HG1 VAL 107 5.346 5.281 -0.180 661 2HG1 VAL 107 2HG1 VAL 107 5.218 7.009 -0.510 662 3HG1 VAL 107 3HG1 VAL 107 5.740 6.451 1.080 663 1HG2 VAL 107 1HG2 VAL 107 7.740 4.355 0.355 664 2HG2 VAL 107 2HG2 VAL 107 8.783 4.893 -0.960 665 3HG2 VAL 107 3HG2 VAL 107 7.155 4.310 -1.307 666 H THR 108 H THR 108 7.815 4.994 -3.180 667 HA THR 108 HA THR 108 5.193 5.089 -4.524 668 HB THR 108 HB THR 108 6.681 3.743 -6.321 669 HG1 THR 108 1HG THR 108 8.463 5.649 -5.216 670 1HG2 THR 108 1HG2 THR 108 7.266 6.317 -7.075 671 2HG2 THR 108 2HG2 THR 108 5.828 6.502 -6.072 672 3HG2 THR 108 3HG2 THR 108 5.796 5.424 -7.467 673 H LEU 109 H LEU 109 3.965 3.413 -3.971 674 HA LEU 109 HA LEU 109 5.300 0.905 -3.189 675 1HB LEU 109 2HB LEU 109 3.081 0.477 -1.983 676 2HB LEU 109 1HB LEU 109 4.190 1.642 -1.286 677 HG LEU 109 HG LEU 109 2.192 2.785 -3.119 678 1HD1 LEU 109 1HD1 LEU 109 0.611 1.367 -2.220 679 2HD1 LEU 109 2HD1 LEU 109 0.536 2.743 -1.121 680 3HD1 LEU 109 3HD1 LEU 109 1.417 1.288 -0.654 681 1HD2 LEU 109 1HD2 LEU 109 2.012 4.271 -0.974 682 2HD2 LEU 109 2HD2 LEU 109 3.421 4.391 -2.029 683 3HD2 LEU 109 3HD2 LEU 109 3.515 3.460 -0.535 684 H GLU 110 H GLU 110 4.843 -0.923 -4.229 685 HA GLU 110 HA GLU 110 2.887 -0.825 -6.408 686 1HB GLU 110 2HB GLU 110 5.340 -1.649 -6.650 687 2HB GLU 110 1HB GLU 110 4.764 -3.111 -5.860 688 1HG GLU 110 2HG GLU 110 2.971 -2.446 -7.968 689 2HG GLU 110 1HG GLU 110 4.621 -2.416 -8.589 690 H ILE 111 H ILE 111 0.905 -1.399 -5.807 691 HA ILE 111 HA ILE 111 0.594 -3.631 -3.916 692 HB ILE 111 HB ILE 111 -1.808 -2.467 -3.773 693 1HG1 ILE 111 2HG1 ILE 111 -0.125 -0.017 -3.760 694 2HG1 ILE 111 1HG1 ILE 111 -0.634 -0.634 -5.331 695 1HG2 ILE 111 1HG2 ILE 111 -0.539 -1.068 -1.847 696 2HG2 ILE 111 2HG2 ILE 111 0.679 -2.290 -2.222 697 3HG2 ILE 111 3HG2 ILE 111 -0.940 -2.782 -1.726 698 1HD1 ILE 111 1HD1 ILE 111 -2.267 0.895 -4.761 699 2HD1 ILE 111 2HD1 ILE 111 -2.313 0.365 -3.080 700 3HD1 ILE 111 3HD1 ILE 111 -2.981 -0.663 -4.348 701 H GLU 112 H GLU 112 -0.853 -5.251 -4.337 702 HA GLU 112 HA GLU 112 -1.786 -5.422 -7.103 703 1HB GLU 112 2HB GLU 112 -0.447 -7.285 -6.082 704 2HB GLU 112 1HB GLU 112 -1.785 -7.575 -4.980 705 1HG GLU 112 2HG GLU 112 -2.966 -7.577 -7.483 706 2HG GLU 112 1HG GLU 112 -1.430 -8.405 -7.727 707 H PHE 113 H PHE 113 -3.819 -4.888 -7.547 708 HA PHE 113 HA PHE 113 -5.816 -5.070 -5.392 709 1HB PHE 113 2HB PHE 113 -6.986 -3.252 -6.381 710 2HB PHE 113 1HB PHE 113 -5.286 -2.792 -6.367 711 HD1 PHE 113 1HD PHE 113 -8.133 -3.733 -8.450 712 HD2 PHE 113 2HD PHE 113 -4.026 -2.625 -8.427 713 HE1 PHE 113 1HE PHE 113 -8.235 -3.319 -10.872 714 HE2 PHE 113 2HE PHE 113 -4.120 -2.206 -10.849 715 HZ PHE 113 HZ PHE 113 -6.227 -2.557 -12.075 716 H ASP 114 H ASP 114 -7.973 -5.684 -5.950 717 HA ASP 114 HA ASP 114 -8.233 -7.214 -8.444 718 1HB ASP 114 2HB ASP 114 -9.408 -9.008 -7.194 719 2HB ASP 114 1HB ASP 114 -7.725 -8.840 -6.706 720 H VAL 115 H VAL 115 -9.617 -5.808 -9.418 721 HA VAL 115 HA VAL 115 -11.804 -4.576 -8.047 722 HB VAL 115 HB VAL 115 -12.524 -3.907 -10.373 723 1HG1 VAL 115 1HG1 VAL 115 -10.169 -2.652 -10.694 724 2HG1 VAL 115 2HG1 VAL 115 -9.992 -3.205 -9.028 725 3HG1 VAL 115 3HG1 VAL 115 -11.360 -2.187 -9.479 726 1HG2 VAL 115 1HG2 VAL 115 -9.864 -4.881 -11.322 727 2HG2 VAL 115 2HG2 VAL 115 -11.306 -4.468 -12.251 728 3HG2 VAL 115 3HG2 VAL 115 -11.250 -5.972 -11.331 729 H ALA 116 H ALA 116 -13.933 -5.106 -8.022 730 HA ALA 116 HA ALA 116 -14.809 -7.462 -9.533 731 1HB ALA 116 1HB ALA 116 -15.749 -8.538 -7.662 732 2HB ALA 116 2HB ALA 116 -15.527 -7.122 -6.634 733 3HB ALA 116 3HB ALA 116 -14.128 -8.059 -7.160 734 H GLU 117 H GLU 117 -15.385 -4.936 -10.322 735 HA GLU 117 HA GLU 117 -18.258 -4.759 -9.750 736 1HB GLU 117 2HB GLU 117 -17.988 -2.225 -9.936 737 2HB GLU 117 1HB GLU 117 -17.441 -2.978 -8.445 738 1HG GLU 117 2HG GLU 117 -15.152 -2.850 -9.156 739 2HG GLU 117 1HG GLU 117 -15.639 -2.253 -10.741 740 H SER 118 H SER 118 -17.309 -6.088 -11.908 741 HA SER 118 HA SER 118 -16.924 -4.511 -14.222 742 1HB SER 118 2HB SER 118 -17.498 -6.631 -15.447 743 2HB SER 118 1HB SER 118 -16.225 -6.817 -14.240 744 HG SER 118 HG SER 118 -18.779 -7.869 -14.303 Start of MODEL 14 1 1H GLN 18 1HT GLN 18 -4.665 -4.300 -18.602 2 2H GLN 18 2HT GLN 18 -3.447 -5.507 -18.629 3 3H GLN 18 3HT GLN 18 -3.619 -4.489 -17.259 4 HA GLN 18 HA GLN 18 -5.354 -6.654 -18.192 5 1HB GLN 18 2HB GLN 18 -3.548 -6.065 -15.925 6 2HB GLN 18 1HB GLN 18 -5.051 -6.873 -15.503 7 1HG GLN 18 2HG GLN 18 -4.550 -8.678 -17.031 8 2HG GLN 18 1HG GLN 18 -3.084 -7.852 -17.560 9 1HE2 GLN 18 1HE2 GLN 18 -4.479 -8.393 -14.348 10 2HE2 GLN 18 2HE2 GLN 18 -3.091 -9.198 -13.690 11 H VAL 19 H VAL 19 -7.451 -6.214 -18.217 12 HA VAL 19 HA VAL 19 -8.529 -3.936 -16.802 13 HB VAL 19 HB VAL 19 -10.026 -6.020 -18.397 14 1HG1 VAL 19 1HG1 VAL 19 -11.693 -4.908 -17.310 15 2HG1 VAL 19 2HG1 VAL 19 -11.482 -3.827 -18.688 16 3HG1 VAL 19 3HG1 VAL 19 -10.746 -3.429 -17.135 17 1HG2 VAL 19 1HG2 VAL 19 -8.083 -4.423 -19.420 18 2HG2 VAL 19 2HG2 VAL 19 -9.505 -3.399 -19.616 19 3HG2 VAL 19 3HG2 VAL 19 -9.474 -5.011 -20.329 20 H VAL 20 H VAL 20 -8.718 -4.202 -14.658 21 HA VAL 20 HA VAL 20 -9.213 -5.108 -12.628 22 HB VAL 20 HB VAL 20 -11.511 -4.706 -13.977 23 1HG1 VAL 20 1HG1 VAL 20 -11.374 -7.260 -14.561 24 2HG1 VAL 20 2HG1 VAL 20 -12.914 -6.514 -14.140 25 3HG1 VAL 20 3HG1 VAL 20 -12.030 -7.450 -12.936 26 1HG2 VAL 20 1HG2 VAL 20 -12.477 -4.524 -11.922 27 2HG2 VAL 20 2HG2 VAL 20 -10.783 -4.604 -11.439 28 3HG2 VAL 20 3HG2 VAL 20 -11.797 -6.044 -11.342 29 H HIS 21 H HIS 21 -10.445 -7.347 -11.728 30 HA HIS 21 HA HIS 21 -10.230 -9.578 -11.360 31 1HB HIS 21 2HB HIS 21 -9.888 -9.351 -14.193 32 2HB HIS 21 1HB HIS 21 -8.749 -10.547 -13.584 33 HD1 HIS 21 1HD HIS 21 -9.704 -12.813 -13.719 34 HD2 HIS 21 2HD HIS 21 -12.613 -9.970 -12.866 35 HE1 HIS 21 1HE HIS 21 -11.857 -14.096 -13.512 36 HE2 HIS 21 2HE HIS 21 -13.612 -12.350 -13.040 37 H THR 22 H THR 22 -8.407 -7.822 -10.300 38 HA THR 22 HA THR 22 -6.534 -7.982 -9.018 39 HB THR 22 HB THR 22 -5.678 -10.491 -10.427 40 HG1 THR 22 1HG THR 22 -7.346 -11.494 -9.695 41 1HG2 THR 22 1HG2 THR 22 -4.348 -9.280 -8.552 42 2HG2 THR 22 2HG2 THR 22 -4.531 -11.034 -8.521 43 3HG2 THR 22 3HG2 THR 22 -5.543 -10.022 -7.491 44 H GLU 23 H GLU 23 -4.558 -7.086 -9.197 45 HA GLU 23 HA GLU 23 -2.813 -7.313 -11.370 46 1HB GLU 23 2HB GLU 23 -3.153 -4.921 -12.244 47 2HB GLU 23 1HB GLU 23 -4.292 -6.152 -12.776 48 1HG GLU 23 2HG GLU 23 -6.003 -5.032 -11.935 49 2HG GLU 23 1HG GLU 23 -5.218 -4.896 -10.363 50 H THR 24 H THR 24 -1.264 -5.284 -11.391 51 HA THR 24 HA THR 24 -0.761 -4.595 -8.573 52 HB THR 24 HB THR 24 1.635 -4.165 -9.652 53 HG1 THR 24 1HG THR 24 2.041 -5.642 -11.292 54 1HG2 THR 24 1HG2 THR 24 1.519 -6.994 -9.439 55 2HG2 THR 24 2HG2 THR 24 0.491 -6.288 -8.195 56 3HG2 THR 24 3HG2 THR 24 2.189 -5.821 -8.305 57 H THR 25 H THR 25 -0.696 -2.504 -8.000 58 HA THR 25 HA THR 25 -0.631 -0.499 -10.161 59 HB THR 25 HB THR 25 -2.868 -0.540 -9.297 60 HG1 THR 25 1HG THR 25 -1.538 1.608 -8.024 61 1HG2 THR 25 1HG2 THR 25 -2.725 -1.618 -7.217 62 2HG2 THR 25 2HG2 THR 25 -3.277 0.022 -6.878 63 3HG2 THR 25 3HG2 THR 25 -1.595 -0.419 -6.589 64 H GLU 26 H GLU 26 0.725 1.172 -9.953 65 HA GLU 26 HA GLU 26 2.425 1.235 -7.563 66 1HB GLU 26 2HB GLU 26 3.905 2.692 -8.982 67 2HB GLU 26 1HB GLU 26 3.704 1.050 -9.579 68 1HG GLU 26 2HG GLU 26 1.788 3.003 -10.641 69 2HG GLU 26 1HG GLU 26 3.470 3.278 -11.089 70 H VAL 27 H VAL 27 1.345 2.439 -6.091 71 HA VAL 27 HA VAL 27 0.265 5.025 -6.933 72 HB VAL 27 HB VAL 27 -0.484 4.715 -4.305 73 1HG1 VAL 27 1HG1 VAL 27 -1.841 5.461 -6.251 74 2HG1 VAL 27 2HG1 VAL 27 -2.697 4.363 -5.169 75 3HG1 VAL 27 3HG1 VAL 27 -2.049 3.768 -6.697 76 1HG2 VAL 27 1HG2 VAL 27 0.394 2.390 -4.342 77 2HG2 VAL 27 2HG2 VAL 27 -0.775 2.015 -5.609 78 3HG2 VAL 27 3HG2 VAL 27 -1.335 2.489 -4.005 79 H VAL 28 H VAL 28 1.525 6.712 -6.653 80 HA VAL 28 HA VAL 28 3.744 6.651 -4.804 81 HB VAL 28 HB VAL 28 4.022 7.666 -7.019 82 1HG1 VAL 28 1HG1 VAL 28 1.538 8.710 -6.664 83 2HG1 VAL 28 2HG1 VAL 28 2.688 9.246 -7.890 84 3HG1 VAL 28 3HG1 VAL 28 2.556 10.119 -6.364 85 1HG2 VAL 28 1HG2 VAL 28 5.169 9.677 -6.326 86 2HG2 VAL 28 2HG2 VAL 28 5.401 8.417 -5.113 87 3HG2 VAL 28 3HG2 VAL 28 4.247 9.719 -4.824 88 H LEU 29 H LEU 29 3.648 7.314 -2.762 89 HA LEU 29 HA LEU 29 1.452 9.099 -1.974 90 1HB LEU 29 2HB LEU 29 2.339 6.649 -0.902 91 2HB LEU 29 1HB LEU 29 2.799 7.879 0.258 92 HG LEU 29 HG LEU 29 0.578 6.830 0.691 93 1HD1 LEU 29 1HD1 LEU 29 -0.215 8.733 1.616 94 2HD1 LEU 29 2HD1 LEU 29 -0.041 9.663 0.127 95 3HD1 LEU 29 3HD1 LEU 29 1.369 9.343 1.139 96 1HD2 LEU 29 1HD2 LEU 29 0.014 6.709 -1.784 97 2HD2 LEU 29 2HD2 LEU 29 -0.404 8.418 -1.663 98 3HD2 LEU 29 3HD2 LEU 29 -1.277 7.226 -0.699 99 H THR 30 H THR 30 1.947 10.653 -0.232 100 HA THR 30 HA THR 30 4.747 11.563 -0.351 101 HB THR 30 HB THR 30 2.307 13.340 -0.166 102 HG1 THR 30 1HG THR 30 3.875 12.590 -2.397 103 1HG2 THR 30 1HG2 THR 30 3.696 15.171 -0.515 104 2HG2 THR 30 2HG2 THR 30 5.055 14.164 -1.017 105 3HG2 THR 30 3HG2 THR 30 4.557 14.196 0.675 106 H ALA 31 H ALA 31 5.542 12.666 1.515 107 HA ALA 31 HA ALA 31 4.287 11.727 3.977 108 1HB ALA 31 1HB ALA 31 6.799 11.488 3.327 109 2HB ALA 31 2HB ALA 31 6.353 11.869 4.989 110 3HB ALA 31 3HB ALA 31 6.911 13.148 3.911 111 H ASP 32 H ASP 32 3.583 13.048 5.607 112 HA ASP 32 HA ASP 32 3.274 15.878 4.903 113 1HB ASP 32 2HB ASP 32 1.529 13.926 6.068 114 2HB ASP 32 1HB ASP 32 1.757 15.240 7.219 115 HA PRO 33 HA PRO 33 6.091 17.028 8.106 116 1HB PRO 33 2HB PRO 33 5.476 19.630 8.351 117 2HB PRO 33 1HB PRO 33 6.262 18.992 6.902 118 1HG PRO 33 2HG PRO 33 3.377 19.651 7.356 119 2HG PRO 33 1HG PRO 33 4.392 19.988 5.942 120 1HD PRO 33 2HD PRO 33 2.640 17.895 6.090 121 2HD PRO 33 1HD PRO 33 4.099 17.888 5.083 122 H VAL 34 H VAL 34 2.816 16.698 8.606 123 HA VAL 34 HA VAL 34 2.960 17.654 11.381 124 HB VAL 34 HB VAL 34 0.479 16.846 9.861 125 1HG1 VAL 34 1HG1 VAL 34 0.733 16.997 12.505 126 2HG1 VAL 34 2HG1 VAL 34 -0.739 17.496 11.667 127 3HG1 VAL 34 3HG1 VAL 34 0.444 18.704 12.170 128 1HG2 VAL 34 1HG2 VAL 34 0.922 18.710 8.663 129 2HG2 VAL 34 2HG2 VAL 34 2.009 19.368 9.886 130 3HG2 VAL 34 3HG2 VAL 34 0.262 19.518 10.084 131 H THR 35 H THR 35 1.704 14.913 9.477 132 HA THR 35 HA THR 35 2.154 13.203 11.836 133 HB THR 35 HB THR 35 0.352 11.740 10.585 134 HG1 THR 35 1HG THR 35 -0.301 14.360 9.722 135 1HG2 THR 35 1HG2 THR 35 0.221 13.242 12.798 136 2HG2 THR 35 2HG2 THR 35 -1.153 12.357 12.131 137 3HG2 THR 35 3HG2 THR 35 -0.962 14.078 11.792 138 H GLY 36 H GLY 36 1.805 12.997 8.284 139 1HA GLY 36 2HA GLY 36 4.096 12.187 7.337 140 2HA GLY 36 1HA GLY 36 3.710 10.764 8.293 141 H PHE 37 H PHE 37 2.601 9.187 7.332 142 HA PHE 37 HA PHE 37 1.257 9.817 4.790 143 1HB PHE 37 2HB PHE 37 2.664 7.311 5.711 144 2HB PHE 37 1HB PHE 37 1.618 7.350 4.295 145 HD1 PHE 37 1HD PHE 37 4.667 8.868 5.763 146 HD2 PHE 37 2HD PHE 37 2.436 8.069 2.229 147 HE1 PHE 37 1HE PHE 37 6.553 9.663 4.395 148 HE2 PHE 37 2HE PHE 37 4.320 8.861 0.857 149 HZ PHE 37 HZ PHE 37 6.378 9.660 1.936 150 H GLY 38 H GLY 38 0.975 8.198 7.878 151 1HA GLY 38 2HA GLY 38 -0.895 7.569 9.055 152 2HA GLY 38 1HA GLY 38 -1.861 8.365 7.827 153 H ILE 39 H ILE 39 0.181 6.081 6.418 154 HA ILE 39 HA ILE 39 -2.078 4.240 6.135 155 HB ILE 39 HB ILE 39 -1.024 5.032 4.065 156 1HG1 ILE 39 2HG1 ILE 39 -0.450 2.706 3.127 157 2HG1 ILE 39 1HG1 ILE 39 -0.790 2.107 4.751 158 1HG2 ILE 39 1HG2 ILE 39 1.240 4.316 3.471 159 2HG2 ILE 39 2HG2 ILE 39 1.440 3.630 5.083 160 3HG2 ILE 39 3HG2 ILE 39 1.233 5.370 4.885 161 1HD1 ILE 39 1HD1 ILE 39 -2.960 2.110 4.341 162 2HD1 ILE 39 2HD1 ILE 39 -2.603 2.555 2.673 163 3HD1 ILE 39 3HD1 ILE 39 -2.917 3.809 3.872 164 H GLN 40 H GLN 40 -2.102 2.267 7.030 165 HA GLN 40 HA GLN 40 0.406 1.266 8.213 166 1HB GLN 40 2HB GLN 40 -2.130 1.849 9.463 167 2HB GLN 40 1HB GLN 40 -1.729 0.148 9.660 168 1HG GLN 40 2HG GLN 40 -0.792 1.129 11.528 169 2HG GLN 40 1HG GLN 40 0.574 0.999 10.422 170 1HE2 GLN 40 1HE2 GLN 40 -2.100 3.302 10.828 171 2HE2 GLN 40 2HE2 GLN 40 -1.097 4.714 10.905 172 H LEU 41 H LEU 41 0.783 -0.937 8.176 173 HA LEU 41 HA LEU 41 -0.983 -2.496 6.405 174 1HB LEU 41 2HB LEU 41 1.934 -3.097 6.718 175 2HB LEU 41 1HB LEU 41 0.855 -3.513 5.399 176 HG LEU 41 HG LEU 41 1.637 -0.662 5.953 177 1HD1 LEU 41 1HD1 LEU 41 3.712 -1.822 5.645 178 2HD1 LEU 41 2HD1 LEU 41 3.332 -0.948 4.161 179 3HD1 LEU 41 3HD1 LEU 41 3.072 -2.689 4.250 180 1HD2 LEU 41 1HD2 LEU 41 1.230 -0.718 3.367 181 2HD2 LEU 41 2HD2 LEU 41 -0.127 -0.609 4.488 182 3HD2 LEU 41 3HD2 LEU 41 0.290 -2.158 3.756 183 H GLN 42 H GLN 42 -0.854 -4.872 6.757 184 HA GLN 42 HA GLN 42 0.198 -5.981 9.123 185 1HB GLN 42 2HB GLN 42 -2.059 -6.405 10.234 186 2HB GLN 42 1HB GLN 42 -1.391 -4.786 10.388 187 1HG GLN 42 2HG GLN 42 -3.605 -4.379 9.898 188 2HG GLN 42 1HG GLN 42 -2.831 -4.240 8.321 189 1HE2 GLN 42 1HE2 GLN 42 -4.625 -6.433 10.413 190 2HE2 GLN 42 2HE2 GLN 42 -5.347 -7.354 9.134 191 H GLY 43 H GLY 43 -0.890 -8.184 9.594 192 1HA GLY 43 2HA GLY 43 -1.727 -10.204 8.846 193 2HA GLY 43 1HA GLY 43 -2.353 -9.378 7.428 194 H SER 44 H SER 44 0.521 -10.823 8.857 195 HA SER 44 HA SER 44 1.486 -11.378 6.138 196 1HB SER 44 2HB SER 44 3.848 -11.158 7.259 197 2HB SER 44 1HB SER 44 2.997 -9.709 6.725 198 HG SER 44 HG SER 44 2.265 -9.460 8.893 199 H VAL 45 H VAL 45 3.582 -12.966 6.571 200 HA VAL 45 HA VAL 45 2.520 -15.434 7.212 201 HB VAL 45 HB VAL 45 4.696 -14.875 5.973 202 1HG1 VAL 45 1HG1 VAL 45 5.771 -13.646 7.795 203 2HG1 VAL 45 2HG1 VAL 45 6.747 -15.015 7.259 204 3HG1 VAL 45 3HG1 VAL 45 5.818 -15.126 8.754 205 1HG2 VAL 45 1HG2 VAL 45 5.709 -17.117 7.047 206 2HG2 VAL 45 2HG2 VAL 45 4.352 -17.105 5.920 207 3HG2 VAL 45 3HG2 VAL 45 4.055 -17.208 7.655 208 H PHE 46 H PHE 46 4.386 -13.259 9.190 209 HA PHE 46 HA PHE 46 3.729 -14.879 11.564 210 1HB PHE 46 2HB PHE 46 6.202 -14.463 10.851 211 2HB PHE 46 1HB PHE 46 5.947 -12.855 11.521 212 HD1 PHE 46 1HD PHE 46 5.682 -16.462 12.380 213 HD2 PHE 46 2HD PHE 46 6.224 -12.483 13.790 214 HE1 PHE 46 1HE PHE 46 6.165 -17.329 14.629 215 HE2 PHE 46 2HE PHE 46 6.708 -13.343 16.044 216 HZ PHE 46 HZ PHE 46 6.680 -15.770 16.466 217 H ALA 47 H ALA 47 1.639 -13.667 11.390 218 HA ALA 47 HA ALA 47 1.653 -11.501 13.267 219 1HB ALA 47 1HB ALA 47 2.053 -10.663 10.728 220 2HB ALA 47 2HB ALA 47 1.250 -9.706 11.973 221 3HB ALA 47 3HB ALA 47 0.292 -10.625 10.814 222 H THR 48 H THR 48 -0.624 -10.656 13.610 223 HA THR 48 HA THR 48 -2.732 -11.152 14.310 224 HB THR 48 HB THR 48 -4.259 -11.783 12.591 225 HG1 THR 48 1HG THR 48 -3.512 -12.772 10.666 226 1HG2 THR 48 1HG2 THR 48 -2.465 -9.764 12.165 227 2HG2 THR 48 2HG2 THR 48 -3.923 -10.067 11.220 228 3HG2 THR 48 3HG2 THR 48 -2.370 -10.694 10.669 229 H GLU 49 H GLU 49 -4.066 -13.710 13.097 230 HA GLU 49 HA GLU 49 -3.061 -15.481 15.202 231 1HB GLU 49 2HB GLU 49 -5.211 -16.759 14.671 232 2HB GLU 49 1HB GLU 49 -5.382 -15.186 15.437 233 1HG GLU 49 2HG GLU 49 -6.453 -14.307 13.682 234 2HG GLU 49 1HG GLU 49 -5.412 -15.114 12.512 235 H THR 50 H THR 50 -3.596 -15.302 11.739 236 HA THR 50 HA THR 50 -1.657 -17.288 11.217 237 HB THR 50 HB THR 50 -4.252 -18.171 10.109 238 HG1 THR 50 1HG THR 50 -4.715 -19.333 12.023 239 1HG2 THR 50 1HG2 THR 50 -1.978 -19.287 9.772 240 2HG2 THR 50 2HG2 THR 50 -3.356 -20.307 10.187 241 3HG2 THR 50 3HG2 THR 50 -2.179 -19.872 11.425 242 H LEU 51 H LEU 51 -1.101 -17.432 9.012 243 HA LEU 51 HA LEU 51 -2.555 -16.276 6.912 244 1HB LEU 51 2HB LEU 51 -1.391 -14.351 8.555 245 2HB LEU 51 1HB LEU 51 -0.301 -14.469 7.187 246 HG LEU 51 HG LEU 51 -3.239 -14.159 6.710 247 1HD1 LEU 51 1HD1 LEU 51 -2.275 -11.612 6.516 248 2HD1 LEU 51 2HD1 LEU 51 -1.471 -12.205 7.969 249 3HD1 LEU 51 3HD1 LEU 51 -3.231 -12.243 7.858 250 1HD2 LEU 51 1HD2 LEU 51 -0.712 -13.491 5.223 251 2HD2 LEU 51 2HD2 LEU 51 -2.295 -12.878 4.741 252 3HD2 LEU 51 3HD2 LEU 51 -1.990 -14.615 4.760 253 H SER 52 H SER 52 -1.550 -16.549 4.919 254 HA SER 52 HA SER 52 1.134 -17.750 4.974 255 1HB SER 52 2HB SER 52 -1.263 -19.088 4.412 256 2HB SER 52 1HB SER 52 -0.488 -18.836 2.848 257 HG SER 52 HG SER 52 0.356 -20.708 3.617 258 H SER 53 H SER 53 0.002 -15.083 4.256 259 HA SER 53 HA SER 53 1.268 -14.882 1.617 260 1HB SER 53 2HB SER 53 -1.447 -13.888 2.419 261 2HB SER 53 1HB SER 53 -0.522 -13.021 1.194 262 HG SER 53 HG SER 53 -2.035 -14.919 0.635 263 HA PRO 54 HA PRO 54 3.689 -11.563 3.188 264 1HB PRO 54 2HB PRO 54 2.846 -10.004 0.795 265 2HB PRO 54 1HB PRO 54 4.471 -10.370 1.385 266 1HG PRO 54 2HG PRO 54 3.479 -11.640 -0.735 267 2HG PRO 54 1HG PRO 54 4.472 -12.496 0.460 268 1HD PRO 54 2HD PRO 54 1.512 -12.550 0.063 269 2HD PRO 54 1HD PRO 54 2.613 -13.861 0.534 270 HA PRO 55 HA PRO 55 1.144 -8.539 5.157 271 1HB PRO 55 2HB PRO 55 2.636 -6.262 5.050 272 2HB PRO 55 1HB PRO 55 3.003 -7.611 6.131 273 1HG PRO 55 2HG PRO 55 4.213 -6.926 3.479 274 2HG PRO 55 1HG PRO 55 5.012 -7.462 4.969 275 1HD PRO 55 2HD PRO 55 4.524 -9.145 2.921 276 2HD PRO 55 1HD PRO 55 4.469 -9.680 4.612 277 H LEU 56 H LEU 56 -0.363 -6.905 4.775 278 HA LEU 56 HA LEU 56 -0.279 -5.580 2.169 279 1HB LEU 56 2HB LEU 56 -2.764 -6.065 1.933 280 2HB LEU 56 1HB LEU 56 -1.655 -7.379 1.600 281 HG LEU 56 HG LEU 56 -3.642 -8.124 2.831 282 1HD1 LEU 56 1HD1 LEU 56 -2.485 -9.672 3.964 283 2HD1 LEU 56 2HD1 LEU 56 -1.596 -8.471 4.903 284 3HD1 LEU 56 3HD1 LEU 56 -1.076 -8.870 3.266 285 1HD2 LEU 56 1HD2 LEU 56 -3.991 -5.999 4.072 286 2HD2 LEU 56 2HD2 LEU 56 -2.637 -6.437 5.110 287 3HD2 LEU 56 3HD2 LEU 56 -4.082 -7.443 5.080 288 H ILE 57 H ILE 57 -1.902 -3.821 1.989 289 HA ILE 57 HA ILE 57 -1.827 -2.195 4.351 290 HB ILE 57 HB ILE 57 -3.280 -1.654 1.757 291 1HG1 ILE 57 2HG1 ILE 57 -0.693 -0.336 2.271 292 2HG1 ILE 57 1HG1 ILE 57 -0.593 -2.069 1.978 293 1HG2 ILE 57 1HG2 ILE 57 -2.260 0.267 3.846 294 2HG2 ILE 57 2HG2 ILE 57 -3.937 -0.256 3.690 295 3HG2 ILE 57 3HG2 ILE 57 -3.178 0.668 2.394 296 1HD1 ILE 57 1HD1 ILE 57 -2.176 -0.355 0.125 297 2HD1 ILE 57 2HD1 ILE 57 -1.342 -1.878 -0.183 298 3HD1 ILE 57 3HD1 ILE 57 -0.416 -0.389 0.006 299 H SER 58 H SER 58 -3.519 -1.580 5.682 300 HA SER 58 HA SER 58 -6.236 -2.185 5.098 301 1HB SER 58 2HB SER 58 -4.663 -4.120 6.736 302 2HB SER 58 1HB SER 58 -6.329 -3.785 7.212 303 HG SER 58 HG SER 58 -5.541 -4.557 4.598 304 H TYR 59 H TYR 59 -4.924 0.137 5.914 305 HA TYR 59 HA TYR 59 -6.587 1.000 7.990 306 1HB TYR 59 2HB TYR 59 -4.917 -0.463 9.272 307 2HB TYR 59 1HB TYR 59 -3.735 0.799 8.935 308 HD1 TYR 59 1HD TYR 59 -3.310 1.734 11.035 309 HD2 TYR 59 2HD TYR 59 -7.339 1.169 9.791 310 HE1 TYR 59 1HE TYR 59 -4.087 2.996 12.997 311 HE2 TYR 59 2HE TYR 59 -8.127 2.430 11.749 312 HH TYR 59 HH TYR 59 -6.524 4.435 13.413 313 H ILE 60 H ILE 60 -6.851 3.086 7.704 314 HA ILE 60 HA ILE 60 -4.586 4.748 6.877 315 HB ILE 60 HB ILE 60 -7.046 5.628 5.596 316 1HG1 ILE 60 2HG1 ILE 60 -5.878 2.985 4.696 317 2HG1 ILE 60 1HG1 ILE 60 -7.462 3.198 5.434 318 1HG2 ILE 60 1HG2 ILE 60 -5.479 5.660 3.616 319 2HG2 ILE 60 2HG2 ILE 60 -4.232 5.048 4.702 320 3HG2 ILE 60 3HG2 ILE 60 -4.975 6.619 5.009 321 1HD1 ILE 60 1HD1 ILE 60 -6.861 4.769 2.997 322 2HD1 ILE 60 2HD1 ILE 60 -8.376 4.051 3.543 323 3HD1 ILE 60 3HD1 ILE 60 -7.129 3.037 2.819 324 H GLU 61 H GLU 61 -4.829 7.000 7.418 325 HA GLU 61 HA GLU 61 -6.423 7.347 9.810 326 1HB GLU 61 2HB GLU 61 -4.053 8.574 8.642 327 2HB GLU 61 1HB GLU 61 -5.170 9.767 9.289 328 1HG GLU 61 2HG GLU 61 -4.314 7.386 10.892 329 2HG GLU 61 1HG GLU 61 -3.355 8.865 10.834 330 H ALA 62 H ALA 62 -7.796 9.150 10.179 331 HA ALA 62 HA ALA 62 -9.421 9.768 7.857 332 1HB ALA 62 1HB ALA 62 -11.102 10.424 9.361 333 2HB ALA 62 2HB ALA 62 -9.948 10.663 10.674 334 3HB ALA 62 3HB ALA 62 -10.329 9.032 10.120 335 H ASP 63 H ASP 63 -6.915 10.929 7.770 336 HA ASP 63 HA ASP 63 -7.361 13.499 6.990 337 1HB ASP 63 2HB ASP 63 -7.347 13.343 9.854 338 2HB ASP 63 1HB ASP 63 -5.945 14.270 9.329 339 H SER 64 H SER 64 -5.704 11.145 6.499 340 HA SER 64 HA SER 64 -3.045 12.410 6.575 341 1HB SER 64 2HB SER 64 -3.805 9.493 6.764 342 2HB SER 64 1HB SER 64 -2.163 10.032 6.419 343 HG SER 64 HG SER 64 -3.630 10.891 8.684 344 HA PRO 65 HA PRO 65 -2.943 12.670 2.182 345 1HB PRO 65 2HB PRO 65 -0.358 11.572 1.849 346 2HB PRO 65 1HB PRO 65 -0.775 13.280 1.994 347 1HG PRO 65 2HG PRO 65 0.218 11.391 4.062 348 2HG PRO 65 1HG PRO 65 0.502 13.133 3.898 349 1HD PRO 65 2HD PRO 65 -1.170 12.167 5.751 350 2HD PRO 65 1HD PRO 65 -1.529 13.680 4.890 351 H ALA 66 H ALA 66 -2.073 9.665 3.779 352 HA ALA 66 HA ALA 66 -2.089 8.010 1.487 353 1HB ALA 66 1HB ALA 66 -2.530 7.390 4.400 354 2HB ALA 66 2HB ALA 66 -1.044 7.201 3.469 355 3HB ALA 66 3HB ALA 66 -2.428 6.158 3.143 356 H GLU 67 H GLU 67 -4.592 8.787 3.880 357 HA GLU 67 HA GLU 67 -6.587 7.216 2.546 358 1HB GLU 67 2HB GLU 67 -6.798 7.425 4.905 359 2HB GLU 67 1HB GLU 67 -6.658 9.172 4.837 360 1HG GLU 67 2HG GLU 67 -8.943 8.345 5.298 361 2HG GLU 67 1HG GLU 67 -8.821 9.385 3.879 362 H ARG 68 H ARG 68 -5.754 10.644 2.761 363 HA ARG 68 HA ARG 68 -8.011 11.584 1.323 364 1HB ARG 68 2HB ARG 68 -5.365 12.756 2.091 365 2HB ARG 68 1HB ARG 68 -6.408 13.615 0.967 366 1HG ARG 68 2HG ARG 68 -7.201 14.543 2.852 367 2HG ARG 68 1HG ARG 68 -8.182 13.077 2.904 368 1HD ARG 68 2HD ARG 68 -5.512 12.849 4.110 369 2HD ARG 68 1HD ARG 68 -6.614 13.946 4.935 370 HE ARG 68 HE ARG 68 -6.701 11.125 5.011 371 1HH1 ARG 68 1HH1 ARG 68 -8.822 13.892 4.743 372 2HH1 ARG 68 2HH1 ARG 68 -10.157 13.098 5.507 373 1HH2 ARG 68 1HH2 ARG 68 -8.456 10.095 6.033 374 2HH2 ARG 68 2HH2 ARG 68 -9.951 10.943 6.235 375 H CYS 69 H CYS 69 -5.099 10.059 0.339 376 HA CYS 69 HA CYS 69 -4.638 11.137 -2.171 377 1HB CYS 69 2HB CYS 69 -3.576 9.074 -0.736 378 2HB CYS 69 1HB CYS 69 -4.398 8.202 -2.026 379 HG CYS 69 HG CYS 69 -2.695 10.355 -3.222 380 H GLY 70 H GLY 70 -6.965 8.659 -1.188 381 1HA GLY 70 2HA GLY 70 -9.035 8.252 -2.204 382 2HA GLY 70 1HA GLY 70 -8.526 9.219 -3.578 383 H VAL 71 H VAL 71 -5.943 7.413 -3.324 384 HA VAL 71 HA VAL 71 -6.986 5.379 -5.153 385 HB VAL 71 HB VAL 71 -4.529 4.967 -5.622 386 1HG1 VAL 71 1HG1 VAL 71 -6.154 6.421 -6.957 387 2HG1 VAL 71 2HG1 VAL 71 -4.428 6.666 -7.228 388 3HG1 VAL 71 3HG1 VAL 71 -5.332 7.795 -6.218 389 1HG2 VAL 71 1HG2 VAL 71 -4.107 7.631 -4.297 390 2HG2 VAL 71 2HG2 VAL 71 -2.897 6.500 -4.902 391 3HG2 VAL 71 3HG2 VAL 71 -3.827 6.107 -3.456 392 H LEU 72 H LEU 72 -5.331 5.757 -2.089 393 HA LEU 72 HA LEU 72 -4.680 2.987 -1.787 394 1HB LEU 72 2HB LEU 72 -4.524 5.428 -0.109 395 2HB LEU 72 1HB LEU 72 -4.572 3.891 0.734 396 HG LEU 72 HG LEU 72 -2.519 4.747 -1.306 397 1HD1 LEU 72 1HD1 LEU 72 -1.848 3.968 1.472 398 2HD1 LEU 72 2HD1 LEU 72 -2.595 5.546 1.224 399 3HD1 LEU 72 3HD1 LEU 72 -1.082 5.147 0.408 400 1HD2 LEU 72 1HD2 LEU 72 -2.757 2.444 -1.647 401 2HD2 LEU 72 2HD2 LEU 72 -3.009 2.126 0.070 402 3HD2 LEU 72 3HD2 LEU 72 -1.410 2.584 -0.517 403 H GLN 73 H GLN 73 -5.913 1.376 -1.063 404 HA GLN 73 HA GLN 73 -8.286 1.978 0.539 405 1HB GLN 73 2HB GLN 73 -8.677 1.666 -2.066 406 2HB GLN 73 1HB GLN 73 -8.580 -0.037 -1.642 407 1HG GLN 73 2HG GLN 73 -10.864 0.543 -1.609 408 2HG GLN 73 1HG GLN 73 -10.358 0.391 0.074 409 1HE2 GLN 73 1HE2 GLN 73 -11.257 1.862 1.305 410 2HE2 GLN 73 2HE2 GLN 73 -11.579 3.510 0.868 411 H ILE 74 H ILE 74 -8.979 0.282 1.869 412 HA ILE 74 HA ILE 74 -6.955 -1.436 2.815 413 HB ILE 74 HB ILE 74 -9.926 -1.668 3.309 414 1HG1 ILE 74 2HG1 ILE 74 -7.801 -0.083 4.770 415 2HG1 ILE 74 1HG1 ILE 74 -9.150 0.577 3.853 416 1HG2 ILE 74 1HG2 ILE 74 -9.477 -3.322 4.727 417 2HG2 ILE 74 2HG2 ILE 74 -8.184 -2.401 5.495 418 3HG2 ILE 74 3HG2 ILE 74 -7.847 -3.362 4.055 419 1HD1 ILE 74 1HD1 ILE 74 -9.177 -0.810 6.500 420 2HD1 ILE 74 2HD1 ILE 74 -10.634 -0.696 5.512 421 3HD1 ILE 74 3HD1 ILE 74 -9.823 0.772 6.061 422 H GLY 75 H GLY 75 -6.195 -3.180 1.826 423 1HA GLY 75 2HA GLY 75 -7.176 -5.544 1.339 424 2HA GLY 75 1HA GLY 75 -7.955 -4.684 0.019 425 H ASP 76 H ASP 76 -5.568 -2.919 -0.282 426 HA ASP 76 HA ASP 76 -4.246 -4.386 -2.288 427 1HB ASP 76 2HB ASP 76 -3.487 -1.823 -0.875 428 2HB ASP 76 1HB ASP 76 -2.630 -2.462 -2.274 429 H ARG 77 H ARG 77 -2.354 -5.516 -2.322 430 HA ARG 77 HA ARG 77 -1.080 -5.982 0.289 431 1HB ARG 77 2HB ARG 77 -0.898 -7.784 -2.118 432 2HB ARG 77 1HB ARG 77 -0.484 -8.163 -0.451 433 1HG ARG 77 2HG ARG 77 -2.713 -8.328 0.195 434 2HG ARG 77 1HG ARG 77 -3.285 -7.438 -1.218 435 1HD ARG 77 2HD ARG 77 -2.826 -9.271 -2.660 436 2HD ARG 77 1HD ARG 77 -1.940 -10.124 -1.397 437 HE ARG 77 HE ARG 77 -4.407 -9.869 -0.335 438 1HH1 ARG 77 1HH1 ARG 77 -3.263 -11.064 -3.407 439 2HH1 ARG 77 2HH1 ARG 77 -4.563 -12.193 -3.593 440 1HH2 ARG 77 1HH2 ARG 77 -6.116 -11.353 -0.579 441 2HH2 ARG 77 2HH2 ARG 77 -6.182 -12.357 -1.989 442 H VAL 78 H VAL 78 0.576 -4.569 0.406 443 HA VAL 78 HA VAL 78 2.167 -3.736 -1.773 444 HB VAL 78 HB VAL 78 3.743 -2.884 -0.061 445 1HG1 VAL 78 1HG1 VAL 78 0.808 -2.333 0.286 446 2HG1 VAL 78 2HG1 VAL 78 1.995 -1.411 -0.636 447 3HG1 VAL 78 3HG1 VAL 78 2.053 -1.410 1.127 448 1HG2 VAL 78 1HG2 VAL 78 3.852 -4.204 1.770 449 2HG2 VAL 78 2HG2 VAL 78 2.164 -4.699 1.649 450 3HG2 VAL 78 3HG2 VAL 78 2.577 -3.135 2.353 451 H MET 79 H MET 79 3.710 -4.796 -2.838 452 HA MET 79 HA MET 79 5.464 -6.637 -1.440 453 1HB MET 79 2HB MET 79 5.073 -8.468 -3.052 454 2HB MET 79 1HB MET 79 3.655 -8.117 -2.075 455 1HG MET 79 2HG MET 79 2.430 -7.504 -3.844 456 2HG MET 79 1HG MET 79 3.772 -6.653 -4.607 457 1HE MET 79 1HE MET 79 5.075 -8.940 -7.204 458 2HE MET 79 2HE MET 79 5.617 -7.765 -6.006 459 3HE MET 79 3HE MET 79 4.217 -7.409 -7.021 460 H ALA 80 H ALA 80 5.718 -4.069 -2.816 461 HA ALA 80 HA ALA 80 8.125 -4.510 -4.173 462 1HB ALA 80 1HB ALA 80 5.902 -5.049 -5.798 463 2HB ALA 80 2HB ALA 80 7.589 -4.902 -6.293 464 3HB ALA 80 3HB ALA 80 6.532 -3.493 -6.335 465 H ILE 81 H ILE 81 7.595 -2.806 -2.217 466 HA ILE 81 HA ILE 81 6.900 -0.186 -3.213 467 HB ILE 81 HB ILE 81 8.090 -0.878 -0.529 468 1HG1 ILE 81 2HG1 ILE 81 5.154 -0.557 -1.154 469 2HG1 ILE 81 1HG1 ILE 81 5.954 -2.131 -1.140 470 1HG2 ILE 81 1HG2 ILE 81 6.398 1.467 -1.380 471 2HG2 ILE 81 2HG2 ILE 81 8.153 1.499 -1.201 472 3HG2 ILE 81 3HG2 ILE 81 7.129 1.208 0.204 473 1HD1 ILE 81 1HD1 ILE 81 5.791 -2.253 1.062 474 2HD1 ILE 81 2HD1 ILE 81 4.801 -0.796 1.012 475 3HD1 ILE 81 3HD1 ILE 81 6.540 -0.669 1.266 476 H ASN 82 H ASN 82 8.251 1.306 -3.975 477 HA ASN 82 HA ASN 82 10.173 2.163 -4.872 478 1HB ASN 82 2HB ASN 82 11.835 2.802 -3.192 479 2HB ASN 82 1HB ASN 82 10.204 3.068 -2.588 480 1HD2 ASN 82 1HD2 ASN 82 12.904 0.804 -2.524 481 2HD2 ASN 82 2HD2 ASN 82 12.576 0.182 -0.939 482 H GLY 83 H GLY 83 9.901 -0.711 -5.193 483 1HA GLY 83 2HA GLY 83 11.397 -2.048 -6.487 484 2HA GLY 83 1HA GLY 83 12.744 -1.318 -5.625 485 H ILE 84 H ILE 84 11.902 -1.642 -2.998 486 HA ILE 84 HA ILE 84 12.620 -4.356 -2.544 487 HB ILE 84 HB ILE 84 11.505 -2.416 -0.523 488 1HG1 ILE 84 2HG1 ILE 84 13.441 -1.520 -1.895 489 2HG1 ILE 84 1HG1 ILE 84 13.704 -1.583 -0.155 490 1HG2 ILE 84 1HG2 ILE 84 12.449 -5.111 -0.367 491 2HG2 ILE 84 2HG2 ILE 84 11.797 -4.083 0.909 492 3HG2 ILE 84 3HG2 ILE 84 13.523 -4.058 0.554 493 1HD1 ILE 84 1HD1 ILE 84 15.274 -2.698 -2.217 494 2HD1 ILE 84 2HD1 ILE 84 14.595 -4.032 -1.284 495 3HD1 ILE 84 3HD1 ILE 84 15.534 -2.778 -0.475 496 HA PRO 85 HA PRO 85 8.321 -5.722 -2.598 497 1HB PRO 85 2HB PRO 85 8.780 -8.273 -3.202 498 2HB PRO 85 1HB PRO 85 9.035 -7.001 -4.403 499 1HG PRO 85 2HG PRO 85 11.035 -8.493 -2.768 500 2HG PRO 85 1HG PRO 85 11.143 -7.945 -4.449 501 1HD PRO 85 2HD PRO 85 12.239 -6.648 -2.221 502 2HD PRO 85 1HD PRO 85 12.001 -5.935 -3.829 503 H THR 86 H THR 86 10.159 -5.641 -0.129 504 HA THR 86 HA THR 86 10.190 -6.426 2.003 505 HB THR 86 HB THR 86 8.089 -6.980 2.979 506 HG1 THR 86 1HG THR 86 7.002 -7.434 0.410 507 1HG2 THR 86 1HG2 THR 86 8.232 -4.830 1.098 508 2HG2 THR 86 2HG2 THR 86 7.389 -4.915 2.645 509 3HG2 THR 86 3HG2 THR 86 6.589 -5.467 1.174 510 H GLU 87 H GLU 87 11.835 -7.971 1.375 511 HA GLU 87 HA GLU 87 11.065 -10.685 0.805 512 1HB GLU 87 2HB GLU 87 13.453 -11.166 0.846 513 2HB GLU 87 1HB GLU 87 13.134 -9.729 -0.117 514 1HG GLU 87 2HG GLU 87 13.607 -8.577 2.256 515 2HG GLU 87 1HG GLU 87 14.599 -10.025 2.423 516 H ASP 88 H ASP 88 11.821 -8.807 3.622 517 HA ASP 88 HA ASP 88 12.596 -10.787 5.416 518 1HB ASP 88 2HB ASP 88 12.199 -8.110 5.595 519 2HB ASP 88 1HB ASP 88 10.803 -8.698 6.493 520 H SER 89 H SER 89 9.511 -10.177 4.000 521 HA SER 89 HA SER 89 7.540 -11.310 4.098 522 1HB SER 89 2HB SER 89 8.675 -13.312 6.020 523 2HB SER 89 1HB SER 89 7.534 -13.556 4.699 524 HG SER 89 HG SER 89 9.255 -13.236 3.243 525 H THR 90 H THR 90 7.910 -9.152 5.785 526 HA THR 90 HA THR 90 5.990 -9.784 7.865 527 HB THR 90 HB THR 90 8.243 -10.141 8.896 528 HG1 THR 90 1HG THR 90 6.463 -8.180 9.822 529 1HG2 THR 90 1HG2 THR 90 8.913 -7.742 7.628 530 2HG2 THR 90 2HG2 THR 90 9.897 -8.691 8.741 531 3HG2 THR 90 3HG2 THR 90 8.875 -7.392 9.355 532 H PHE 91 H PHE 91 4.639 -8.107 8.303 533 HA PHE 91 HA PHE 91 4.458 -5.972 6.517 534 1HB PHE 91 2HB PHE 91 2.671 -5.144 7.890 535 2HB PHE 91 1HB PHE 91 2.587 -6.901 7.901 536 HD1 PHE 91 1HD PHE 91 3.442 -8.147 9.899 537 HD2 PHE 91 2HD PHE 91 2.929 -3.923 9.877 538 HE1 PHE 91 1HE PHE 91 3.469 -8.136 12.360 539 HE2 PHE 91 2HE PHE 91 2.957 -3.904 12.338 540 HZ PHE 91 HZ PHE 91 3.227 -6.012 13.582 541 H GLU 92 H GLU 92 6.188 -6.269 9.520 542 HA GLU 92 HA GLU 92 6.529 -3.577 10.178 543 1HB GLU 92 2HB GLU 92 8.309 -5.972 10.627 544 2HB GLU 92 1HB GLU 92 8.659 -4.383 11.292 545 1HG GLU 92 2HG GLU 92 6.323 -4.510 12.327 546 2HG GLU 92 1HG GLU 92 6.396 -6.229 11.945 547 H GLU 93 H GLU 93 8.102 -5.565 7.773 548 HA GLU 93 HA GLU 93 10.319 -3.896 7.266 549 1HB GLU 93 2HB GLU 93 10.276 -6.206 6.524 550 2HB GLU 93 1HB GLU 93 8.886 -5.884 5.498 551 1HG GLU 93 2HG GLU 93 10.645 -5.908 4.013 552 2HG GLU 93 1HG GLU 93 10.408 -4.188 4.322 553 H ALA 94 H ALA 94 7.194 -4.226 5.589 554 HA ALA 94 HA ALA 94 7.609 -2.176 3.721 555 1HB ALA 94 1HB ALA 94 5.855 -3.787 3.400 556 2HB ALA 94 2HB ALA 94 5.138 -2.179 3.486 557 3HB ALA 94 3HB ALA 94 5.044 -3.262 4.875 558 H ASN 95 H ASN 95 6.483 -2.117 7.038 559 HA ASN 95 HA ASN 95 5.439 0.502 7.055 560 1HB ASN 95 2HB ASN 95 6.264 -1.488 9.088 561 2HB ASN 95 1HB ASN 95 6.252 0.192 9.618 562 1HD2 ASN 95 1HD2 ASN 95 4.540 -2.179 10.244 563 2HD2 ASN 95 2HD2 ASN 95 2.918 -1.627 9.977 564 H GLN 96 H GLN 96 8.652 -0.750 7.936 565 HA GLN 96 HA GLN 96 9.755 1.723 8.641 566 1HB GLN 96 2HB GLN 96 11.740 0.608 8.911 567 2HB GLN 96 1HB GLN 96 10.628 -0.750 8.950 568 1HG GLN 96 2HG GLN 96 12.192 -1.559 7.515 569 2HG GLN 96 1HG GLN 96 11.101 -0.789 6.364 570 1HE2 GLN 96 1HE2 GLN 96 13.663 0.400 8.516 571 2HE2 GLN 96 2HE2 GLN 96 14.551 1.227 7.280 572 H LEU 97 H LEU 97 9.390 0.102 5.563 573 HA LEU 97 HA LEU 97 11.134 1.716 4.047 574 1HB LEU 97 2HB LEU 97 8.645 0.235 3.195 575 2HB LEU 97 1HB LEU 97 9.826 0.926 2.098 576 HG LEU 97 HG LEU 97 10.667 -1.106 4.134 577 1HD1 LEU 97 1HD1 LEU 97 8.758 -1.584 2.098 578 2HD1 LEU 97 2HD1 LEU 97 9.552 -2.751 3.156 579 3HD1 LEU 97 3HD1 LEU 97 10.274 -2.339 1.601 580 1HD2 LEU 97 1HD2 LEU 97 12.591 -1.216 2.957 581 2HD2 LEU 97 2HD2 LEU 97 12.112 0.404 2.449 582 3HD2 LEU 97 3HD2 LEU 97 11.783 -0.981 1.406 583 H LEU 98 H LEU 98 7.702 2.010 4.846 584 HA LEU 98 HA LEU 98 7.209 4.286 3.227 585 1HB LEU 98 2HB LEU 98 5.775 3.295 5.693 586 2HB LEU 98 1HB LEU 98 5.181 4.561 4.634 587 HG LEU 98 HG LEU 98 5.554 1.648 3.943 588 1HD1 LEU 98 1HD1 LEU 98 2.987 3.063 3.596 589 2HD1 LEU 98 2HD1 LEU 98 3.498 2.753 5.255 590 3HD1 LEU 98 3HD1 LEU 98 3.315 1.412 4.123 591 1HD2 LEU 98 1HD2 LEU 98 4.270 2.642 1.820 592 2HD2 LEU 98 2HD2 LEU 98 6.026 2.504 1.897 593 3HD2 LEU 98 3HD2 LEU 98 5.247 4.048 2.241 594 H ARG 99 H ARG 99 8.172 3.861 6.596 595 HA ARG 99 HA ARG 99 7.977 6.571 7.359 596 1HB ARG 99 2HB ARG 99 9.283 4.134 8.451 597 2HB ARG 99 1HB ARG 99 9.849 5.687 9.052 598 1HG ARG 99 2HG ARG 99 8.001 6.032 10.264 599 2HG ARG 99 1HG ARG 99 6.936 5.414 8.999 600 1HD ARG 99 2HD ARG 99 7.202 3.200 9.691 601 2HD ARG 99 1HD ARG 99 8.663 3.566 10.607 602 HE ARG 99 HE ARG 99 6.397 4.942 11.647 603 1HH1 ARG 99 1HH1 ARG 99 7.977 1.831 11.579 604 2HH1 ARG 99 2HH1 ARG 99 7.323 1.326 13.100 605 1HH2 ARG 99 1HH2 ARG 99 5.536 4.279 13.648 606 2HH2 ARG 99 2HH2 ARG 99 5.936 2.714 14.275 607 H ASP 100 H ASP 100 10.448 4.745 5.707 608 HA ASP 100 HA ASP 100 12.532 6.665 6.057 609 1HB ASP 100 2HB ASP 100 12.336 4.051 5.064 610 2HB ASP 100 1HB ASP 100 12.872 5.024 3.699 611 H SER 101 H SER 101 9.735 6.754 4.248 612 HA SER 101 HA SER 101 10.689 8.005 1.876 613 1HB SER 101 2HB SER 101 7.913 8.226 3.050 614 2HB SER 101 1HB SER 101 8.383 8.415 1.360 615 HG SER 101 HG SER 101 8.456 6.040 2.909 616 H SER 102 H SER 102 10.258 9.100 5.072 617 HA SER 102 HA SER 102 9.509 11.761 4.712 618 1HB SER 102 2HB SER 102 9.905 10.330 6.888 619 2HB SER 102 1HB SER 102 11.516 11.043 6.814 620 HG SER 102 HG SER 102 9.052 12.450 6.883 621 H ILE 103 H ILE 103 12.544 10.167 4.128 622 HA ILE 103 HA ILE 103 14.353 12.241 4.247 623 HB ILE 103 HB ILE 103 14.260 9.972 2.276 624 1HG1 ILE 103 2HG1 ILE 103 14.271 9.466 4.753 625 2HG1 ILE 103 1HG1 ILE 103 15.609 8.801 3.834 626 1HG2 ILE 103 1HG2 ILE 103 16.874 10.509 2.526 627 2HG2 ILE 103 2HG2 ILE 103 16.225 12.138 2.721 628 3HG2 ILE 103 3HG2 ILE 103 15.866 11.214 1.263 629 1HD1 ILE 103 1HD1 ILE 103 16.316 11.384 4.834 630 2HD1 ILE 103 2HD1 ILE 103 17.073 9.820 5.138 631 3HD1 ILE 103 3HD1 ILE 103 15.729 10.358 6.144 632 H THR 104 H THR 104 12.141 11.384 1.625 633 HA THR 104 HA THR 104 12.799 13.944 0.321 634 HB THR 104 HB THR 104 13.527 12.015 -1.019 635 HG1 THR 104 1HG THR 104 12.558 13.964 -1.984 636 1HG2 THR 104 1HG2 THR 104 11.580 10.542 -0.142 637 2HG2 THR 104 2HG2 THR 104 12.178 10.330 -1.787 638 3HG2 THR 104 3HG2 THR 104 10.693 11.236 -1.499 639 H SER 105 H SER 105 10.484 12.397 2.078 640 HA SER 105 HA SER 105 8.292 12.796 2.508 641 1HB SER 105 2HB SER 105 9.188 15.285 1.161 642 2HB SER 105 1HB SER 105 7.446 15.032 1.280 643 HG SER 105 HG SER 105 7.909 15.990 3.155 644 H LYS 106 H LYS 106 9.152 11.279 0.098 645 HA LYS 106 HA LYS 106 6.537 11.052 -1.098 646 1HB LYS 106 2HB LYS 106 8.543 12.612 -2.389 647 2HB LYS 106 1HB LYS 106 8.327 11.138 -3.322 648 1HG LYS 106 2HG LYS 106 5.866 12.528 -2.469 649 2HG LYS 106 1HG LYS 106 6.859 13.337 -3.686 650 1HD LYS 106 2HD LYS 106 6.824 11.232 -5.017 651 2HD LYS 106 1HD LYS 106 5.699 10.556 -3.839 652 1HE LYS 106 2HE LYS 106 4.673 11.545 -5.932 653 2HE LYS 106 1HE LYS 106 4.020 12.117 -4.397 654 1HZ LYS 106 1HZ LYS 106 4.669 13.779 -6.292 655 2HZ LYS 106 2HZ LYS 106 6.215 13.623 -5.624 656 3HZ LYS 106 3HZ LYS 106 4.933 14.174 -4.667 657 H VAL 107 H VAL 107 6.176 9.051 -2.044 658 HA VAL 107 HA VAL 107 8.391 7.221 -2.426 659 HB VAL 107 HB VAL 107 7.869 7.066 0.001 660 1HG1 VAL 107 1HG1 VAL 107 5.472 7.499 -0.113 661 2HG1 VAL 107 2HG1 VAL 107 5.810 5.983 0.720 662 3HG1 VAL 107 3HG1 VAL 107 5.231 5.964 -0.945 663 1HG2 VAL 107 1HG2 VAL 107 8.209 4.791 0.082 664 2HG2 VAL 107 2HG2 VAL 107 8.666 5.150 -1.582 665 3HG2 VAL 107 3HG2 VAL 107 7.077 4.470 -1.232 666 H THR 108 H THR 108 7.783 5.222 -3.427 667 HA THR 108 HA THR 108 5.133 5.293 -4.710 668 HB THR 108 HB THR 108 6.677 3.875 -6.475 669 HG1 THR 108 1HG THR 108 8.645 4.668 -6.560 670 1HG2 THR 108 1HG2 THR 108 6.281 5.530 -7.975 671 2HG2 THR 108 2HG2 THR 108 6.659 6.817 -6.829 672 3HG2 THR 108 3HG2 THR 108 5.111 5.976 -6.734 673 H LEU 109 H LEU 109 3.921 3.544 -4.338 674 HA LEU 109 HA LEU 109 5.288 1.103 -3.412 675 1HB LEU 109 2HB LEU 109 2.534 1.192 -2.586 676 2HB LEU 109 1HB LEU 109 3.982 1.019 -1.616 677 HG LEU 109 HG LEU 109 3.085 3.722 -2.563 678 1HD1 LEU 109 1HD1 LEU 109 2.118 3.799 -0.136 679 2HD1 LEU 109 2HD1 LEU 109 1.963 2.057 -0.364 680 3HD1 LEU 109 3HD1 LEU 109 1.149 3.168 -1.468 681 1HD2 LEU 109 1HD2 LEU 109 4.988 2.620 -0.566 682 2HD2 LEU 109 2HD2 LEU 109 4.182 4.145 -0.198 683 3HD2 LEU 109 3HD2 LEU 109 5.161 3.994 -1.657 684 H GLU 110 H GLU 110 4.788 -0.800 -4.298 685 HA GLU 110 HA GLU 110 2.731 -0.827 -6.409 686 1HB GLU 110 2HB GLU 110 5.449 -1.484 -6.566 687 2HB GLU 110 1HB GLU 110 4.618 -3.034 -6.526 688 1HG GLU 110 2HG GLU 110 3.768 -2.777 -8.581 689 2HG GLU 110 1HG GLU 110 3.440 -1.061 -8.343 690 H ILE 111 H ILE 111 0.940 -1.703 -5.547 691 HA ILE 111 HA ILE 111 1.239 -3.980 -3.720 692 HB ILE 111 HB ILE 111 -1.215 -3.473 -3.236 693 1HG1 ILE 111 2HG1 ILE 111 -1.254 -1.885 -5.306 694 2HG1 ILE 111 1HG1 ILE 111 -2.166 -1.454 -3.862 695 1HG2 ILE 111 1HG2 ILE 111 1.200 -2.093 -2.330 696 2HG2 ILE 111 2HG2 ILE 111 -0.046 -2.932 -1.406 697 3HG2 ILE 111 3HG2 ILE 111 -0.309 -1.271 -1.936 698 1HD1 ILE 111 1HD1 ILE 111 0.541 -0.417 -3.801 699 2HD1 ILE 111 2HD1 ILE 111 -1.000 0.412 -3.582 700 3HD1 ILE 111 3HD1 ILE 111 -0.368 0.137 -5.205 701 H GLU 112 H GLU 112 -0.283 -5.709 -3.837 702 HA GLU 112 HA GLU 112 -1.328 -6.183 -6.549 703 1HB GLU 112 2HB GLU 112 0.665 -7.615 -5.562 704 2HB GLU 112 1HB GLU 112 -0.635 -8.448 -4.723 705 1HG GLU 112 2HG GLU 112 -1.719 -8.728 -7.001 706 2HG GLU 112 1HG GLU 112 -0.176 -8.215 -7.677 707 H PHE 113 H PHE 113 -3.469 -6.244 -6.608 708 HA PHE 113 HA PHE 113 -4.928 -7.302 -4.279 709 1HB PHE 113 2HB PHE 113 -6.450 -5.496 -4.258 710 2HB PHE 113 1HB PHE 113 -4.869 -4.737 -4.423 711 HD1 PHE 113 1HD PHE 113 -4.101 -4.407 -6.941 712 HD2 PHE 113 2HD PHE 113 -8.134 -4.774 -5.638 713 HE1 PHE 113 1HE PHE 113 -4.859 -3.298 -9.001 714 HE2 PHE 113 2HE PHE 113 -8.901 -3.661 -7.692 715 HZ PHE 113 HZ PHE 113 -7.268 -2.936 -9.381 716 H ASP 114 H ASP 114 -7.227 -7.828 -4.817 717 HA ASP 114 HA ASP 114 -7.525 -8.634 -7.632 718 1HB ASP 114 2HB ASP 114 -8.994 -10.534 -6.522 719 2HB ASP 114 1HB ASP 114 -7.258 -10.729 -6.741 720 H VAL 115 H VAL 115 -9.426 -8.167 -8.581 721 HA VAL 115 HA VAL 115 -11.728 -7.440 -6.947 722 HB VAL 115 HB VAL 115 -10.658 -5.310 -7.154 723 1HG1 VAL 115 1HG1 VAL 115 -10.301 -6.096 -10.019 724 2HG1 VAL 115 2HG1 VAL 115 -9.102 -5.520 -8.860 725 3HG1 VAL 115 3HG1 VAL 115 -10.283 -4.399 -9.535 726 1HG2 VAL 115 1HG2 VAL 115 -12.868 -5.498 -9.199 727 2HG2 VAL 115 2HG2 VAL 115 -12.323 -4.024 -8.399 728 3HG2 VAL 115 3HG2 VAL 115 -13.085 -5.308 -7.459 729 H ALA 116 H ALA 116 -13.702 -7.589 -8.024 730 HA ALA 116 HA ALA 116 -13.584 -8.664 -10.764 731 1HB ALA 116 1HB ALA 116 -15.400 -9.578 -8.534 732 2HB ALA 116 2HB ALA 116 -14.027 -10.471 -9.191 733 3HB ALA 116 3HB ALA 116 -15.441 -10.160 -10.199 734 H GLU 117 H GLU 117 -13.980 -6.431 -11.401 735 HA GLU 117 HA GLU 117 -16.819 -5.697 -11.119 736 1HB GLU 117 2HB GLU 117 -14.471 -3.813 -11.398 737 2HB GLU 117 1HB GLU 117 -16.160 -3.344 -11.280 738 1HG GLU 117 2HG GLU 117 -14.828 -4.936 -9.124 739 2HG GLU 117 1HG GLU 117 -14.713 -3.178 -9.184 740 H SER 118 H SER 118 -16.489 -7.322 -13.095 741 HA SER 118 HA SER 118 -16.345 -5.623 -15.495 742 1HB SER 118 2HB SER 118 -15.526 -7.710 -16.702 743 2HB SER 118 1HB SER 118 -14.374 -6.953 -15.604 744 HG SER 118 HG SER 118 -14.566 -8.595 -14.233 Start of MODEL 15 1 1H GLN 18 1HT GLN 18 -13.438 -7.525 -21.226 2 2H GLN 18 2HT GLN 18 -12.549 -8.946 -21.593 3 3H GLN 18 3HT GLN 18 -11.784 -7.410 -21.658 4 HA GLN 18 HA GLN 18 -12.972 -8.510 -19.209 5 1HB GLN 18 2HB GLN 18 -10.905 -9.675 -20.566 6 2HB GLN 18 1HB GLN 18 -10.043 -8.546 -19.531 7 1HG GLN 18 2HG GLN 18 -10.118 -10.184 -18.023 8 2HG GLN 18 1HG GLN 18 -11.785 -9.668 -17.772 9 1HE2 GLN 18 1HE2 GLN 18 -10.115 -12.312 -17.886 10 2HE2 GLN 18 2HE2 GLN 18 -11.183 -13.384 -18.732 11 H VAL 19 H VAL 19 -13.497 -6.626 -18.233 12 HA VAL 19 HA VAL 19 -11.643 -4.371 -18.353 13 HB VAL 19 HB VAL 19 -14.344 -4.468 -17.010 14 1HG1 VAL 19 1HG1 VAL 19 -14.252 -2.079 -17.062 15 2HG1 VAL 19 2HG1 VAL 19 -12.765 -2.105 -18.009 16 3HG1 VAL 19 3HG1 VAL 19 -12.755 -2.664 -16.337 17 1HG2 VAL 19 1HG2 VAL 19 -13.614 -3.707 -19.833 18 2HG2 VAL 19 2HG2 VAL 19 -15.145 -3.287 -19.066 19 3HG2 VAL 19 3HG2 VAL 19 -14.719 -4.981 -19.312 20 H VAL 20 H VAL 20 -10.184 -4.070 -16.826 21 HA VAL 20 HA VAL 20 -8.941 -4.508 -14.946 22 HB VAL 20 HB VAL 20 -10.249 -2.528 -14.351 23 1HG1 VAL 20 1HG1 VAL 20 -12.487 -3.674 -14.491 24 2HG1 VAL 20 2HG1 VAL 20 -12.266 -2.599 -13.114 25 3HG1 VAL 20 3HG1 VAL 20 -12.156 -4.343 -12.894 26 1HG2 VAL 20 1HG2 VAL 20 -9.332 -4.496 -12.347 27 2HG2 VAL 20 2HG2 VAL 20 -10.282 -3.138 -11.745 28 3HG2 VAL 20 3HG2 VAL 20 -8.796 -2.843 -12.648 29 H HIS 21 H HIS 21 -8.505 -6.655 -14.779 30 HA HIS 21 HA HIS 21 -10.290 -8.201 -13.021 31 1HB HIS 21 2HB HIS 21 -9.994 -8.796 -15.621 32 2HB HIS 21 1HB HIS 21 -8.613 -9.675 -14.972 33 HD1 HIS 21 1HD HIS 21 -11.039 -11.136 -16.231 34 HD2 HIS 21 2HD HIS 21 -10.567 -10.417 -12.166 35 HE1 HIS 21 1HE HIS 21 -12.446 -12.871 -15.074 36 HE2 HIS 21 2HE HIS 21 -12.211 -12.361 -12.617 37 H THR 22 H THR 22 -8.507 -6.872 -11.711 38 HA THR 22 HA THR 22 -6.973 -7.213 -10.051 39 HB THR 22 HB THR 22 -6.157 -9.834 -11.281 40 HG1 THR 22 1HG THR 22 -7.804 -10.815 -10.160 41 1HG2 THR 22 1HG2 THR 22 -6.429 -9.405 -8.367 42 2HG2 THR 22 2HG2 THR 22 -5.061 -8.653 -9.187 43 3HG2 THR 22 3HG2 THR 22 -5.286 -10.400 -9.270 44 H GLU 23 H GLU 23 -5.295 -5.909 -10.189 45 HA GLU 23 HA GLU 23 -3.099 -6.542 -11.984 46 1HB GLU 23 2HB GLU 23 -3.960 -3.707 -12.135 47 2HB GLU 23 1HB GLU 23 -3.181 -4.710 -13.347 48 1HG GLU 23 2HG GLU 23 -6.040 -5.165 -12.588 49 2HG GLU 23 1HG GLU 23 -5.591 -3.910 -13.738 50 H THR 24 H THR 24 -1.382 -4.673 -11.743 51 HA THR 24 HA THR 24 -1.111 -4.177 -8.857 52 HB THR 24 HB THR 24 1.370 -3.847 -9.551 53 HG1 THR 24 1HG THR 24 1.859 -4.299 -11.528 54 1HG2 THR 24 1HG2 THR 24 0.498 -6.665 -9.956 55 2HG2 THR 24 2HG2 THR 24 0.282 -5.891 -8.387 56 3HG2 THR 24 3HG2 THR 24 1.894 -6.032 -9.085 57 H THR 25 H THR 25 -1.060 -2.125 -8.130 58 HA THR 25 HA THR 25 -0.866 0.013 -10.148 59 HB THR 25 HB THR 25 -3.052 0.071 -9.228 60 HG1 THR 25 1HG THR 25 -1.590 1.953 -7.707 61 1HG2 THR 25 1HG2 THR 25 -1.759 -0.800 -6.808 62 2HG2 THR 25 2HG2 THR 25 -3.452 -0.914 -7.289 63 3HG2 THR 25 3HG2 THR 25 -2.847 0.555 -6.520 64 H GLU 26 H GLU 26 0.515 1.654 -9.874 65 HA GLU 26 HA GLU 26 2.342 1.503 -7.581 66 1HB GLU 26 2HB GLU 26 2.634 2.252 -10.404 67 2HB GLU 26 1HB GLU 26 3.396 3.388 -9.298 68 1HG GLU 26 2HG GLU 26 4.834 1.755 -8.436 69 2HG GLU 26 1HG GLU 26 3.879 0.436 -9.110 70 H VAL 27 H VAL 27 1.363 2.626 -5.980 71 HA VAL 27 HA VAL 27 0.285 5.278 -6.596 72 HB VAL 27 HB VAL 27 -0.258 4.745 -3.912 73 1HG1 VAL 27 1HG1 VAL 27 -1.611 5.637 -6.037 74 2HG1 VAL 27 2HG1 VAL 27 -2.402 5.122 -4.546 75 3HG1 VAL 27 3HG1 VAL 27 -2.304 4.019 -5.919 76 1HG2 VAL 27 1HG2 VAL 27 0.385 2.404 -4.229 77 2HG2 VAL 27 2HG2 VAL 27 -0.769 2.265 -5.555 78 3HG2 VAL 27 3HG2 VAL 27 -1.342 2.557 -3.912 79 H VAL 28 H VAL 28 1.769 6.823 -6.445 80 HA VAL 28 HA VAL 28 3.903 6.636 -4.483 81 HB VAL 28 HB VAL 28 4.394 7.394 -6.789 82 1HG1 VAL 28 1HG1 VAL 28 3.473 9.213 -7.781 83 2HG1 VAL 28 2HG1 VAL 28 3.259 10.075 -6.258 84 3HG1 VAL 28 3HG1 VAL 28 2.131 8.798 -6.715 85 1HG2 VAL 28 1HG2 VAL 28 6.008 8.020 -5.221 86 2HG2 VAL 28 2HG2 VAL 28 4.948 9.214 -4.471 87 3HG2 VAL 28 3HG2 VAL 28 5.631 9.519 -6.068 88 H LEU 29 H LEU 29 3.554 7.322 -2.485 89 HA LEU 29 HA LEU 29 1.634 9.487 -2.028 90 1HB LEU 29 2HB LEU 29 2.753 7.360 -0.216 91 2HB LEU 29 1HB LEU 29 1.825 8.721 0.386 92 HG LEU 29 HG LEU 29 0.839 6.603 -1.527 93 1HD1 LEU 29 1HD1 LEU 29 1.013 5.738 0.703 94 2HD1 LEU 29 2HD1 LEU 29 -0.687 6.057 0.354 95 3HD1 LEU 29 3HD1 LEU 29 0.229 7.171 1.368 96 1HD2 LEU 29 1HD2 LEU 29 -0.309 9.195 -0.610 97 2HD2 LEU 29 2HD2 LEU 29 -1.388 7.825 -0.874 98 3HD2 LEU 29 3HD2 LEU 29 -0.384 8.425 -2.195 99 H THR 30 H THR 30 2.170 10.993 -0.215 100 HA THR 30 HA THR 30 5.049 11.577 -0.094 101 HB THR 30 HB THR 30 2.825 13.600 -0.442 102 HG1 THR 30 1HG THR 30 3.707 13.897 -2.479 103 1HG2 THR 30 1HG2 THR 30 4.294 15.298 -0.241 104 2HG2 THR 30 2HG2 THR 30 5.655 14.342 -0.828 105 3HG2 THR 30 3HG2 THR 30 5.094 14.150 0.834 106 H ALA 31 H ALA 31 5.828 12.300 1.847 107 HA ALA 31 HA ALA 31 4.129 11.862 4.142 108 1HB ALA 31 1HB ALA 31 6.886 12.892 4.482 109 2HB ALA 31 2HB ALA 31 6.701 11.300 3.747 110 3HB ALA 31 3HB ALA 31 6.037 11.614 5.351 111 H ASP 32 H ASP 32 2.960 13.396 5.070 112 HA ASP 32 HA ASP 32 3.464 16.189 4.455 113 1HB ASP 32 2HB ASP 32 1.220 14.673 5.740 114 2HB ASP 32 1HB ASP 32 1.346 16.412 5.987 115 HA PRO 33 HA PRO 33 5.642 16.969 8.234 116 1HB PRO 33 2HB PRO 33 5.427 19.661 8.316 117 2HB PRO 33 1HB PRO 33 6.468 18.831 7.154 118 1HG PRO 33 2HG PRO 33 3.722 19.962 6.766 119 2HG PRO 33 1HG PRO 33 5.137 20.073 5.703 120 1HD PRO 33 2HD PRO 33 3.119 18.306 5.293 121 2HD PRO 33 1HD PRO 33 4.798 17.976 4.825 122 H VAL 34 H VAL 34 3.352 15.891 8.980 123 HA VAL 34 HA VAL 34 2.554 17.498 11.249 124 HB VAL 34 HB VAL 34 0.420 16.516 9.351 125 1HG1 VAL 34 1HG1 VAL 34 -0.135 16.590 11.781 126 2HG1 VAL 34 2HG1 VAL 34 -1.130 17.647 10.779 127 3HG1 VAL 34 3HG1 VAL 34 0.179 18.326 11.747 128 1HG2 VAL 34 1HG2 VAL 34 1.495 19.298 9.788 129 2HG2 VAL 34 2HG2 VAL 34 -0.006 18.937 8.937 130 3HG2 VAL 34 3HG2 VAL 34 1.532 18.360 8.295 131 H THR 35 H THR 35 1.481 14.627 9.417 132 HA THR 35 HA THR 35 1.727 13.071 11.908 133 HB THR 35 HB THR 35 -0.091 11.601 10.743 134 HG1 THR 35 1HG THR 35 -0.068 12.813 8.788 135 1HG2 THR 35 1HG2 THR 35 -1.513 13.998 11.507 136 2HG2 THR 35 2HG2 THR 35 -0.252 13.572 12.664 137 3HG2 THR 35 3HG2 THR 35 -1.502 12.400 12.250 138 H GLY 36 H GLY 36 1.881 12.981 8.371 139 1HA GLY 36 2HA GLY 36 4.033 11.919 7.583 140 2HA GLY 36 1HA GLY 36 3.555 10.556 8.585 141 H PHE 37 H PHE 37 2.714 8.930 7.483 142 HA PHE 37 HA PHE 37 1.430 9.492 4.903 143 1HB PHE 37 2HB PHE 37 2.825 7.076 6.021 144 2HB PHE 37 1HB PHE 37 1.727 6.927 4.652 145 HD1 PHE 37 1HD PHE 37 2.180 8.726 2.737 146 HD2 PHE 37 2HD PHE 37 5.053 7.361 5.564 147 HE1 PHE 37 1HE PHE 37 3.990 9.384 1.208 148 HE2 PHE 37 2HE PHE 37 6.870 8.019 4.039 149 HZ PHE 37 HZ PHE 37 6.340 9.032 1.857 150 H GLY 38 H GLY 38 0.873 8.193 8.076 151 1HA GLY 38 2HA GLY 38 -1.029 7.451 9.121 152 2HA GLY 38 1HA GLY 38 -1.905 8.389 7.921 153 H ILE 39 H ILE 39 0.187 5.592 7.365 154 HA ILE 39 HA ILE 39 -2.176 3.997 6.674 155 HB ILE 39 HB ILE 39 -1.315 4.955 4.580 156 1HG1 ILE 39 2HG1 ILE 39 -0.477 2.120 4.342 157 2HG1 ILE 39 1HG1 ILE 39 -2.083 2.404 5.015 158 1HG2 ILE 39 1HG2 ILE 39 1.145 3.336 4.626 159 2HG2 ILE 39 2HG2 ILE 39 1.142 4.764 5.661 160 3HG2 ILE 39 3HG2 ILE 39 0.844 4.929 3.931 161 1HD1 ILE 39 1HD1 ILE 39 -1.386 3.866 2.542 162 2HD1 ILE 39 2HD1 ILE 39 -2.917 3.154 3.053 163 3HD1 ILE 39 3HD1 ILE 39 -1.636 2.124 2.413 164 H GLN 40 H GLN 40 -2.105 2.025 7.529 165 HA GLN 40 HA GLN 40 0.498 1.007 8.452 166 1HB GLN 40 2HB GLN 40 -2.039 1.290 9.788 167 2HB GLN 40 1HB GLN 40 -1.560 -0.403 9.765 168 1HG GLN 40 2HG GLN 40 -0.343 0.057 11.560 169 2HG GLN 40 1HG GLN 40 0.760 0.899 10.472 170 1HE2 GLN 40 1HE2 GLN 40 -0.864 3.084 9.831 171 2HE2 GLN 40 2HE2 GLN 40 -1.035 4.072 11.246 172 H LEU 41 H LEU 41 1.228 -0.828 7.611 173 HA LEU 41 HA LEU 41 -0.598 -2.402 5.930 174 1HB LEU 41 2HB LEU 41 2.289 -2.949 5.751 175 2HB LEU 41 1HB LEU 41 1.096 -2.774 4.479 176 HG LEU 41 HG LEU 41 2.423 -0.499 5.954 177 1HD1 LEU 41 1HD1 LEU 41 3.939 -0.336 4.297 178 2HD1 LEU 41 2HD1 LEU 41 2.806 -0.878 3.060 179 3HD1 LEU 41 3HD1 LEU 41 3.601 -2.056 4.105 180 1HD2 LEU 41 1HD2 LEU 41 -0.025 -0.516 4.661 181 2HD2 LEU 41 2HD2 LEU 41 1.093 0.117 3.453 182 3HD2 LEU 41 3HD2 LEU 41 0.959 0.901 5.027 183 H GLN 42 H GLN 42 -1.459 -3.970 7.164 184 HA GLN 42 HA GLN 42 -0.214 -5.193 9.362 185 1HB GLN 42 2HB GLN 42 -1.995 -6.916 9.146 186 2HB GLN 42 1HB GLN 42 -2.611 -5.269 9.128 187 1HG GLN 42 2HG GLN 42 -2.783 -5.374 6.684 188 2HG GLN 42 1HG GLN 42 -2.200 -7.037 6.726 189 1HE2 GLN 42 1HE2 GLN 42 -4.197 -7.549 5.644 190 2HE2 GLN 42 2HE2 GLN 42 -5.648 -7.752 6.571 191 H GLY 43 H GLY 43 0.509 -7.407 9.586 192 1HA GLY 43 2HA GLY 43 2.112 -8.209 7.274 193 2HA GLY 43 1HA GLY 43 2.333 -8.758 8.928 194 H SER 44 H SER 44 -0.787 -8.733 7.344 195 HA SER 44 HA SER 44 -0.629 -11.614 6.874 196 1HB SER 44 2HB SER 44 -1.605 -11.035 9.202 197 2HB SER 44 1HB SER 44 -3.018 -10.477 8.307 198 HG SER 44 HG SER 44 -2.073 -13.048 8.717 199 H VAL 45 H VAL 45 -2.569 -12.417 5.675 200 HA VAL 45 HA VAL 45 -3.287 -10.460 3.626 201 HB VAL 45 HB VAL 45 -3.591 -13.468 3.628 202 1HG1 VAL 45 1HG1 VAL 45 -4.226 -11.365 1.584 203 2HG1 VAL 45 2HG1 VAL 45 -5.232 -12.696 2.155 204 3HG1 VAL 45 3HG1 VAL 45 -3.849 -13.021 1.110 205 1HG2 VAL 45 1HG2 VAL 45 -1.737 -12.128 1.770 206 2HG2 VAL 45 2HG2 VAL 45 -1.571 -13.652 2.642 207 3HG2 VAL 45 3HG2 VAL 45 -1.264 -12.125 3.469 208 H PHE 46 H PHE 46 -4.597 -11.603 6.432 209 HA PHE 46 HA PHE 46 -7.205 -10.636 5.756 210 1HB PHE 46 2HB PHE 46 -6.777 -13.558 6.330 211 2HB PHE 46 1HB PHE 46 -8.336 -12.773 6.560 212 HD1 PHE 46 1HD PHE 46 -6.585 -14.757 4.399 213 HD2 PHE 46 2HD PHE 46 -8.947 -11.218 4.390 214 HE1 PHE 46 1HE PHE 46 -7.109 -15.118 2.022 215 HE2 PHE 46 2HE PHE 46 -9.477 -11.573 2.013 216 HZ PHE 46 HZ PHE 46 -8.557 -13.525 0.826 217 H ALA 47 H ALA 47 -5.178 -12.289 8.060 218 HA ALA 47 HA ALA 47 -4.887 -12.074 10.305 219 1HB ALA 47 1HB ALA 47 -4.755 -9.960 11.068 220 2HB ALA 47 2HB ALA 47 -6.391 -9.557 10.544 221 3HB ALA 47 3HB ALA 47 -5.064 -9.543 9.382 222 H THR 48 H THR 48 -7.006 -13.637 9.546 223 HA THR 48 HA THR 48 -9.235 -12.928 11.248 224 HB THR 48 HB THR 48 -10.304 -14.971 10.256 225 HG1 THR 48 1HG THR 48 -8.077 -14.941 8.510 226 1HG2 THR 48 1HG2 THR 48 -11.148 -13.688 8.669 227 2HG2 THR 48 2HG2 THR 48 -9.618 -13.672 7.791 228 3HG2 THR 48 3HG2 THR 48 -9.920 -12.486 9.060 229 H GLU 49 H GLU 49 -6.398 -14.723 11.380 230 HA GLU 49 HA GLU 49 -6.779 -15.563 14.023 231 1HB GLU 49 2HB GLU 49 -7.856 -17.351 12.036 232 2HB GLU 49 1HB GLU 49 -6.525 -18.130 12.881 233 1HG GLU 49 2HG GLU 49 -7.959 -18.642 14.483 234 2HG GLU 49 1HG GLU 49 -8.013 -16.926 14.892 235 H THR 50 H THR 50 -5.273 -17.514 11.477 236 HA THR 50 HA THR 50 -2.753 -17.426 12.778 237 HB THR 50 HB THR 50 -3.495 -19.398 11.514 238 HG1 THR 50 1HG THR 50 -1.233 -18.921 11.737 239 1HG2 THR 50 1HG2 THR 50 -4.657 -18.717 9.647 240 2HG2 THR 50 2HG2 THR 50 -3.109 -19.218 8.966 241 3HG2 THR 50 3HG2 THR 50 -3.453 -17.504 9.212 242 H LEU 51 H LEU 51 -0.870 -17.174 10.836 243 HA LEU 51 HA LEU 51 -1.197 -14.377 9.964 244 1HB LEU 51 2HB LEU 51 0.466 -14.551 11.709 245 2HB LEU 51 1HB LEU 51 1.288 -15.840 10.849 246 HG LEU 51 HG LEU 51 1.649 -14.106 8.980 247 1HD1 LEU 51 1HD1 LEU 51 0.729 -12.376 11.248 248 2HD1 LEU 51 2HD1 LEU 51 0.238 -12.341 9.555 249 3HD1 LEU 51 3HD1 LEU 51 1.841 -11.771 10.020 250 1HD2 LEU 51 1HD2 LEU 51 3.484 -13.004 10.594 251 2HD2 LEU 51 2HD2 LEU 51 3.627 -14.634 9.938 252 3HD2 LEU 51 3HD2 LEU 51 3.025 -14.394 11.577 253 H SER 52 H SER 52 -0.351 -13.761 7.957 254 HA SER 52 HA SER 52 -0.166 -15.960 6.042 255 1HB SER 52 2HB SER 52 -0.365 -12.989 5.486 256 2HB SER 52 1HB SER 52 -0.592 -14.300 4.331 257 HG SER 52 HG SER 52 -2.195 -14.096 6.644 258 H SER 53 H SER 53 1.271 -14.719 4.013 259 HA SER 53 HA SER 53 3.959 -14.744 5.188 260 1HB SER 53 2HB SER 53 2.818 -15.731 2.660 261 2HB SER 53 1HB SER 53 4.382 -14.931 2.495 262 HG SER 53 HG SER 53 3.947 -17.381 3.287 263 HA PRO 54 HA PRO 54 4.323 -10.898 2.437 264 1HB PRO 54 2HB PRO 54 2.484 -10.264 0.603 265 2HB PRO 54 1HB PRO 54 3.685 -11.526 0.298 266 1HG PRO 54 2HG PRO 54 0.821 -11.798 1.124 267 2HG PRO 54 1HG PRO 54 1.729 -12.727 -0.081 268 1HD PRO 54 2HD PRO 54 1.245 -13.586 2.484 269 2HD PRO 54 1HD PRO 54 2.615 -14.126 1.494 270 HA PRO 55 HA PRO 55 1.867 -8.181 4.952 271 1HB PRO 55 2HB PRO 55 2.806 -5.791 4.120 272 2HB PRO 55 1HB PRO 55 3.775 -6.893 5.106 273 1HG PRO 55 2HG PRO 55 3.848 -6.438 2.149 274 2HG PRO 55 1HG PRO 55 5.196 -6.619 3.286 275 1HD PRO 55 2HD PRO 55 4.315 -8.643 1.695 276 2HD PRO 55 1HD PRO 55 5.051 -8.913 3.288 277 H LEU 56 H LEU 56 0.272 -6.435 4.794 278 HA LEU 56 HA LEU 56 -0.754 -5.820 2.149 279 1HB LEU 56 2HB LEU 56 -2.152 -7.585 4.109 280 2HB LEU 56 1HB LEU 56 -3.106 -6.508 3.107 281 HG LEU 56 HG LEU 56 -1.767 -7.595 1.140 282 1HD1 LEU 56 1HD1 LEU 56 -0.430 -9.293 1.624 283 2HD1 LEU 56 2HD1 LEU 56 -1.762 -10.150 2.399 284 3HD1 LEU 56 3HD1 LEU 56 -0.754 -9.052 3.341 285 1HD2 LEU 56 1HD2 LEU 56 -3.478 -9.550 1.253 286 2HD2 LEU 56 2HD2 LEU 56 -4.054 -7.891 1.099 287 3HD2 LEU 56 3HD2 LEU 56 -4.087 -8.693 2.669 288 H ILE 57 H ILE 57 -1.954 -3.955 2.071 289 HA ILE 57 HA ILE 57 -1.759 -2.225 4.372 290 HB ILE 57 HB ILE 57 -3.078 -1.641 1.720 291 1HG1 ILE 57 2HG1 ILE 57 -0.229 -1.045 2.539 292 2HG1 ILE 57 1HG1 ILE 57 -0.692 -2.402 1.514 293 1HG2 ILE 57 1HG2 ILE 57 -3.360 -0.186 3.889 294 2HG2 ILE 57 2HG2 ILE 57 -3.112 0.568 2.314 295 3HG2 ILE 57 3HG2 ILE 57 -1.760 0.402 3.436 296 1HD1 ILE 57 1HD1 ILE 57 -1.177 0.496 0.869 297 2HD1 ILE 57 2HD1 ILE 57 -1.524 -0.887 -0.169 298 3HD1 ILE 57 3HD1 ILE 57 0.145 -0.485 0.237 299 H SER 58 H SER 58 -3.281 -1.996 5.881 300 HA SER 58 HA SER 58 -6.092 -2.189 5.158 301 1HB SER 58 2HB SER 58 -4.982 -4.486 5.986 302 2HB SER 58 1HB SER 58 -5.350 -3.779 7.559 303 HG SER 58 HG SER 58 -7.152 -4.314 5.437 304 H TYR 59 H TYR 59 -4.925 0.119 5.790 305 HA TYR 59 HA TYR 59 -6.407 1.050 7.968 306 1HB TYR 59 2HB TYR 59 -4.787 -0.162 9.347 307 2HB TYR 59 1HB TYR 59 -3.464 0.703 8.571 308 HD1 TYR 59 1HD TYR 59 -3.220 3.165 8.948 309 HD2 TYR 59 2HD TYR 59 -5.998 0.808 11.145 310 HE1 TYR 59 1HE TYR 59 -3.390 4.948 10.635 311 HE2 TYR 59 2HE TYR 59 -6.175 2.583 12.837 312 HH TYR 59 HH TYR 59 -4.401 4.611 13.570 313 H ILE 60 H ILE 60 -6.774 3.112 7.588 314 HA ILE 60 HA ILE 60 -4.658 4.818 6.532 315 HB ILE 60 HB ILE 60 -7.199 5.415 5.227 316 1HG1 ILE 60 2HG1 ILE 60 -5.834 2.778 4.636 317 2HG1 ILE 60 1HG1 ILE 60 -7.503 3.017 5.147 318 1HG2 ILE 60 1HG2 ILE 60 -5.686 5.528 3.248 319 2HG2 ILE 60 2HG2 ILE 60 -4.369 4.986 4.286 320 3HG2 ILE 60 3HG2 ILE 60 -5.168 6.525 4.608 321 1HD1 ILE 60 1HD1 ILE 60 -6.307 3.174 2.491 322 2HD1 ILE 60 2HD1 ILE 60 -7.396 4.507 2.870 323 3HD1 ILE 60 3HD1 ILE 60 -7.970 2.842 2.975 324 H GLU 61 H GLU 61 -5.026 7.081 6.917 325 HA GLU 61 HA GLU 61 -6.891 7.502 9.145 326 1HB GLU 61 2HB GLU 61 -4.264 8.653 8.377 327 2HB GLU 61 1HB GLU 61 -5.398 9.727 9.186 328 1HG GLU 61 2HG GLU 61 -4.598 7.043 10.272 329 2HG GLU 61 1HG GLU 61 -3.776 8.548 10.680 330 H ALA 62 H ALA 62 -8.088 9.453 9.297 331 HA ALA 62 HA ALA 62 -9.183 10.258 6.742 332 1HB ALA 62 1HB ALA 62 -10.812 11.515 8.162 333 2HB ALA 62 2HB ALA 62 -9.959 10.906 9.581 334 3HB ALA 62 3HB ALA 62 -10.754 9.780 8.478 335 H ASP 63 H ASP 63 -6.577 11.075 6.989 336 HA ASP 63 HA ASP 63 -6.666 13.747 6.287 337 1HB ASP 63 2HB ASP 63 -5.464 14.760 8.247 338 2HB ASP 63 1HB ASP 63 -7.134 14.307 8.576 339 H SER 64 H SER 64 -5.417 11.156 5.660 340 HA SER 64 HA SER 64 -2.629 12.079 5.531 341 1HB SER 64 2HB SER 64 -3.585 9.755 6.859 342 2HB SER 64 1HB SER 64 -2.716 9.216 5.421 343 HG SER 64 HG SER 64 -1.763 10.831 7.540 344 HA PRO 65 HA PRO 65 -3.001 11.928 1.134 345 1HB PRO 65 2HB PRO 65 -0.488 10.636 0.755 346 2HB PRO 65 1HB PRO 65 -0.849 12.356 0.611 347 1HG PRO 65 2HG PRO 65 0.323 10.855 2.879 348 2HG PRO 65 1HG PRO 65 0.545 12.550 2.414 349 1HD PRO 65 2HD PRO 65 -0.929 11.859 4.546 350 2HD PRO 65 1HD PRO 65 -1.385 13.230 3.511 351 H ALA 66 H ALA 66 -1.943 9.056 2.898 352 HA ALA 66 HA ALA 66 -2.271 7.157 0.880 353 1HB ALA 66 1HB ALA 66 -2.902 5.697 3.027 354 2HB ALA 66 2HB ALA 66 -2.209 7.102 3.837 355 3HB ALA 66 3HB ALA 66 -1.250 6.200 2.662 356 H GLU 67 H GLU 67 -4.616 8.458 3.194 357 HA GLU 67 HA GLU 67 -6.754 6.792 2.242 358 1HB GLU 67 2HB GLU 67 -6.918 7.395 4.512 359 2HB GLU 67 1HB GLU 67 -6.565 9.083 4.180 360 1HG GLU 67 2HG GLU 67 -8.882 8.812 4.780 361 2HG GLU 67 1HG GLU 67 -8.746 9.320 3.098 362 H ARG 68 H ARG 68 -6.004 10.264 2.015 363 HA ARG 68 HA ARG 68 -8.209 10.823 0.309 364 1HB ARG 68 2HB ARG 68 -6.819 12.980 -0.134 365 2HB ARG 68 1HB ARG 68 -7.545 12.709 1.442 366 1HG ARG 68 2HG ARG 68 -4.911 11.570 1.342 367 2HG ARG 68 1HG ARG 68 -4.877 13.267 0.866 368 1HD ARG 68 2HD ARG 68 -4.564 13.001 3.279 369 2HD ARG 68 1HD ARG 68 -6.037 13.886 2.907 370 HE ARG 68 HE ARG 68 -5.882 11.127 3.915 371 1HH1 ARG 68 1HH1 ARG 68 -7.806 13.936 3.091 372 2HH1 ARG 68 2HH1 ARG 68 -9.196 13.386 3.961 373 1HH2 ARG 68 1HH2 ARG 68 -7.714 10.424 5.062 374 2HH2 ARG 68 2HH2 ARG 68 -9.147 11.396 5.073 375 H CYS 69 H CYS 69 -5.328 9.237 -0.338 376 HA CYS 69 HA CYS 69 -4.505 10.195 -2.799 377 1HB CYS 69 2HB CYS 69 -3.287 8.447 -1.606 378 2HB CYS 69 1HB CYS 69 -4.616 7.321 -1.857 379 HG CYS 69 HG CYS 69 -2.368 7.653 -3.715 380 H GLY 70 H GLY 70 -7.271 8.197 -1.991 381 1HA GLY 70 2HA GLY 70 -9.141 7.662 -3.217 382 2HA GLY 70 1HA GLY 70 -8.618 8.851 -4.404 383 H VAL 71 H VAL 71 -6.654 6.136 -3.408 384 HA VAL 71 HA VAL 71 -7.233 4.761 -5.937 385 HB VAL 71 HB VAL 71 -4.417 5.105 -4.920 386 1HG1 VAL 71 1HG1 VAL 71 -5.708 3.777 -7.215 387 2HG1 VAL 71 2HG1 VAL 71 -4.230 3.364 -6.345 388 3HG1 VAL 71 3HG1 VAL 71 -4.212 4.646 -7.557 389 1HG2 VAL 71 1HG2 VAL 71 -5.730 6.684 -7.129 390 2HG2 VAL 71 2HG2 VAL 71 -4.068 6.831 -6.559 391 3HG2 VAL 71 3HG2 VAL 71 -5.404 7.303 -5.511 392 H LEU 72 H LEU 72 -5.022 4.392 -3.162 393 HA LEU 72 HA LEU 72 -5.344 1.562 -3.092 394 1HB LEU 72 2HB LEU 72 -4.100 1.764 -0.914 395 2HB LEU 72 1HB LEU 72 -3.281 2.411 -2.322 396 HG LEU 72 HG LEU 72 -4.724 4.561 -1.208 397 1HD1 LEU 72 1HD1 LEU 72 -3.502 2.767 0.842 398 2HD1 LEU 72 2HD1 LEU 72 -5.009 3.680 0.903 399 3HD1 LEU 72 3HD1 LEU 72 -3.464 4.517 1.067 400 1HD2 LEU 72 1HD2 LEU 72 -1.911 3.772 -1.651 401 2HD2 LEU 72 2HD2 LEU 72 -2.193 5.076 -0.496 402 3HD2 LEU 72 3HD2 LEU 72 -2.779 5.224 -2.153 403 H GLN 73 H GLN 73 -6.327 0.286 -1.493 404 HA GLN 73 HA GLN 73 -8.433 1.653 0.051 405 1HB GLN 73 2HB GLN 73 -8.749 -0.249 -1.985 406 2HB GLN 73 1HB GLN 73 -9.034 -1.127 -0.489 407 1HG GLN 73 2HG GLN 73 -11.119 -0.375 -0.645 408 2HG GLN 73 1HG GLN 73 -10.464 1.168 -0.098 409 1HE2 GLN 73 1HE2 GLN 73 -12.646 1.490 -1.409 410 2HE2 GLN 73 2HE2 GLN 73 -12.398 1.988 -3.051 411 H ILE 74 H ILE 74 -9.321 -0.166 1.725 412 HA ILE 74 HA ILE 74 -7.057 -0.641 3.452 413 HB ILE 74 HB ILE 74 -9.199 0.297 4.305 414 1HG1 ILE 74 2HG1 ILE 74 -8.483 -2.354 5.557 415 2HG1 ILE 74 1HG1 ILE 74 -7.522 -0.890 5.727 416 1HG2 ILE 74 1HG2 ILE 74 -10.447 -1.573 2.840 417 2HG2 ILE 74 2HG2 ILE 74 -11.183 -0.777 4.229 418 3HG2 ILE 74 3HG2 ILE 74 -10.451 -2.371 4.413 419 1HD1 ILE 74 1HD1 ILE 74 -9.171 0.180 6.990 420 2HD1 ILE 74 2HD1 ILE 74 -9.114 -1.469 7.614 421 3HD1 ILE 74 3HD1 ILE 74 -10.408 -0.985 6.517 422 H GLY 75 H GLY 75 -6.508 -2.232 1.476 423 1HA GLY 75 2HA GLY 75 -6.266 -4.775 2.510 424 2HA GLY 75 1HA GLY 75 -7.743 -4.805 1.558 425 H ASP 76 H ASP 76 -4.780 -2.996 0.892 426 HA ASP 76 HA ASP 76 -4.705 -4.079 -1.786 427 1HB ASP 76 2HB ASP 76 -3.177 -1.966 -0.302 428 2HB ASP 76 1HB ASP 76 -2.564 -2.582 -1.834 429 H ARG 77 H ARG 77 -3.022 -5.306 -2.688 430 HA ARG 77 HA ARG 77 -1.590 -6.931 -0.727 431 1HB ARG 77 2HB ARG 77 -2.995 -7.696 -2.876 432 2HB ARG 77 1HB ARG 77 -1.413 -7.536 -3.627 433 1HG ARG 77 2HG ARG 77 -0.675 -9.420 -2.707 434 2HG ARG 77 1HG ARG 77 -1.294 -8.980 -1.115 435 1HD ARG 77 2HD ARG 77 -2.306 -11.049 -2.030 436 2HD ARG 77 1HD ARG 77 -3.484 -9.785 -1.678 437 HE ARG 77 HE ARG 77 -3.979 -9.667 -3.914 438 1HH1 ARG 77 1HH1 ARG 77 -1.014 -11.460 -3.499 439 2HH1 ARG 77 2HH1 ARG 77 -0.940 -11.962 -5.156 440 1HH2 ARG 77 1HH2 ARG 77 -3.884 -10.327 -6.091 441 2HH2 ARG 77 2HH2 ARG 77 -2.570 -11.318 -6.627 442 H VAL 78 H VAL 78 -0.091 -5.142 -0.251 443 HA VAL 78 HA VAL 78 1.673 -4.029 -2.118 444 HB VAL 78 HB VAL 78 3.272 -3.954 -0.017 445 1HG1 VAL 78 1HG1 VAL 78 1.988 -2.081 -1.098 446 2HG1 VAL 78 2HG1 VAL 78 2.296 -1.896 0.627 447 3HG1 VAL 78 3HG1 VAL 78 0.701 -2.395 0.066 448 1HG2 VAL 78 1HG2 VAL 78 0.788 -4.057 1.572 449 2HG2 VAL 78 2HG2 VAL 78 2.439 -4.498 2.010 450 3HG2 VAL 78 3HG2 VAL 78 1.451 -5.606 1.058 451 H MET 79 H MET 79 3.377 -4.814 -3.201 452 HA MET 79 HA MET 79 4.975 -6.968 -2.153 453 1HB MET 79 2HB MET 79 2.841 -7.895 -3.417 454 2HB MET 79 1HB MET 79 3.817 -7.551 -4.840 455 1HG MET 79 2HG MET 79 5.566 -8.888 -3.193 456 2HG MET 79 1HG MET 79 4.031 -9.702 -2.897 457 1HE MET 79 1HE MET 79 6.964 -9.220 -5.641 458 2HE MET 79 2HE MET 79 6.828 -10.961 -5.880 459 3HE MET 79 3HE MET 79 6.965 -10.303 -4.249 460 H ALA 80 H ALA 80 5.305 -4.194 -3.055 461 HA ALA 80 HA ALA 80 7.771 -4.395 -4.327 462 1HB ALA 80 1HB ALA 80 6.751 -3.168 -6.520 463 2HB ALA 80 2HB ALA 80 5.476 -4.334 -6.160 464 3HB ALA 80 3HB ALA 80 7.129 -4.889 -6.424 465 H ILE 81 H ILE 81 7.538 -2.956 -2.317 466 HA ILE 81 HA ILE 81 6.701 -0.233 -2.989 467 HB ILE 81 HB ILE 81 7.683 -1.269 -0.328 468 1HG1 ILE 81 2HG1 ILE 81 4.800 -0.703 -0.854 469 2HG1 ILE 81 1HG1 ILE 81 5.467 -2.223 -1.453 470 1HG2 ILE 81 1HG2 ILE 81 7.791 0.934 0.071 471 2HG2 ILE 81 2HG2 ILE 81 6.032 0.841 0.168 472 3HG2 ILE 81 3HG2 ILE 81 6.808 1.338 -1.337 473 1HD1 ILE 81 1HD1 ILE 81 6.195 -2.778 0.819 474 2HD1 ILE 81 2HD1 ILE 81 4.452 -2.528 0.718 475 3HD1 ILE 81 3HD1 ILE 81 5.484 -1.273 1.404 476 H ASN 82 H ASN 82 8.137 1.166 -3.727 477 HA ASN 82 HA ASN 82 10.140 2.050 -4.390 478 1HB ASN 82 2HB ASN 82 11.563 2.759 -2.537 479 2HB ASN 82 1HB ASN 82 9.865 2.986 -2.132 480 1HD2 ASN 82 1HD2 ASN 82 12.599 0.799 -1.718 481 2HD2 ASN 82 2HD2 ASN 82 12.107 0.190 -0.170 482 H GLY 83 H GLY 83 9.961 -0.849 -4.666 483 1HA GLY 83 2HA GLY 83 11.732 -2.068 -5.797 484 2HA GLY 83 1HA GLY 83 12.854 -1.432 -4.602 485 H ILE 84 H ILE 84 11.597 -1.936 -2.242 486 HA ILE 84 HA ILE 84 12.091 -4.710 -1.890 487 HB ILE 84 HB ILE 84 10.709 -2.855 0.046 488 1HG1 ILE 84 2HG1 ILE 84 12.933 -2.022 -0.889 489 2HG1 ILE 84 1HG1 ILE 84 12.824 -2.166 0.861 490 1HG2 ILE 84 1HG2 ILE 84 11.914 -4.409 1.689 491 2HG2 ILE 84 2HG2 ILE 84 12.104 -5.497 0.313 492 3HG2 ILE 84 3HG2 ILE 84 10.491 -5.034 0.855 493 1HD1 ILE 84 1HD1 ILE 84 13.804 -4.615 -0.248 494 2HD1 ILE 84 2HD1 ILE 84 14.575 -3.515 0.894 495 3HD1 ILE 84 3HD1 ILE 84 14.758 -3.256 -0.841 496 HA PRO 85 HA PRO 85 7.835 -5.819 -2.929 497 1HB PRO 85 2HB PRO 85 8.271 -8.402 -3.450 498 2HB PRO 85 1HB PRO 85 8.814 -7.139 -4.563 499 1HG PRO 85 2HG PRO 85 10.384 -8.688 -2.542 500 2HG PRO 85 1HG PRO 85 10.832 -8.226 -4.194 501 1HD PRO 85 2HD PRO 85 11.639 -6.886 -1.919 502 2HD PRO 85 1HD PRO 85 11.568 -6.169 -3.539 503 H THR 86 H THR 86 9.790 -6.805 -0.314 504 HA THR 86 HA THR 86 9.371 -7.777 1.697 505 HB THR 86 HB THR 86 7.317 -7.264 2.752 506 HG1 THR 86 1HG THR 86 6.106 -6.815 0.238 507 1HG2 THR 86 1HG2 THR 86 8.678 -5.283 1.627 508 2HG2 THR 86 2HG2 THR 86 7.192 -5.022 2.539 509 3HG2 THR 86 3HG2 THR 86 7.147 -5.076 0.777 510 H GLU 87 H GLU 87 9.893 -9.891 1.315 511 HA GLU 87 HA GLU 87 7.695 -11.674 0.499 512 1HB GLU 87 2HB GLU 87 10.465 -11.515 -0.296 513 2HB GLU 87 1HB GLU 87 10.117 -13.099 0.380 514 1HG GLU 87 2HG GLU 87 8.181 -12.025 -1.578 515 2HG GLU 87 1HG GLU 87 9.763 -12.503 -2.190 516 H ASP 88 H ASP 88 8.097 -10.663 3.184 517 HA ASP 88 HA ASP 88 8.257 -13.234 4.553 518 1HB ASP 88 2HB ASP 88 10.495 -11.799 4.590 519 2HB ASP 88 1HB ASP 88 9.647 -10.956 5.884 520 H SER 89 H SER 89 7.720 -12.808 7.006 521 HA SER 89 HA SER 89 5.346 -11.073 7.026 522 1HB SER 89 2HB SER 89 5.723 -13.119 9.149 523 2HB SER 89 1HB SER 89 4.253 -12.620 8.313 524 HG SER 89 HG SER 89 5.467 -14.794 7.867 525 H THR 90 H THR 90 7.191 -9.421 7.405 526 HA THR 90 HA THR 90 7.576 -9.150 10.314 527 HB THR 90 HB THR 90 9.766 -9.373 9.671 528 HG1 THR 90 1HG THR 90 10.677 -7.287 9.439 529 1HG2 THR 90 1HG2 THR 90 8.868 -8.415 7.021 530 2HG2 THR 90 2HG2 THR 90 9.910 -9.772 7.449 531 3HG2 THR 90 3HG2 THR 90 10.548 -8.128 7.475 532 H PHE 91 H PHE 91 6.302 -7.626 11.079 533 HA PHE 91 HA PHE 91 4.960 -5.701 9.551 534 1HB PHE 91 2HB PHE 91 4.774 -6.619 12.119 535 2HB PHE 91 1HB PHE 91 5.415 -5.000 12.376 536 HD1 PHE 91 1HD PHE 91 4.175 -3.063 11.234 537 HD2 PHE 91 2HD PHE 91 2.508 -6.939 11.781 538 HE1 PHE 91 1HE PHE 91 1.915 -2.124 10.969 539 HE2 PHE 91 2HE PHE 91 0.246 -6.009 11.516 540 HZ PHE 91 HZ PHE 91 -0.054 -3.598 11.108 541 H GLU 92 H GLU 92 7.864 -5.414 11.573 542 HA GLU 92 HA GLU 92 8.273 -2.680 11.379 543 1HB GLU 92 2HB GLU 92 9.545 -4.243 12.845 544 2HB GLU 92 1HB GLU 92 10.425 -4.801 11.429 545 1HG GLU 92 2HG GLU 92 11.705 -2.945 11.316 546 2HG GLU 92 1HG GLU 92 10.423 -1.891 11.913 547 H GLU 93 H GLU 93 9.023 -5.221 9.079 548 HA GLU 93 HA GLU 93 10.733 -3.797 7.385 549 1HB GLU 93 2HB GLU 93 9.492 -6.321 7.401 550 2HB GLU 93 1HB GLU 93 9.024 -5.569 5.883 551 1HG GLU 93 2HG GLU 93 11.066 -6.936 5.710 552 2HG GLU 93 1HG GLU 93 11.317 -5.248 5.267 553 H ALA 94 H ALA 94 7.209 -4.272 7.142 554 HA ALA 94 HA ALA 94 6.778 -2.709 4.877 555 1HB ALA 94 1HB ALA 94 5.109 -3.714 7.099 556 2HB ALA 94 2HB ALA 94 4.897 -3.871 5.354 557 3HB ALA 94 3HB ALA 94 4.455 -2.368 6.166 558 H ASN 95 H ASN 95 6.434 -1.763 8.300 559 HA ASN 95 HA ASN 95 5.812 0.918 7.872 560 1HB ASN 95 2HB ASN 95 7.078 -0.566 10.153 561 2HB ASN 95 1HB ASN 95 6.943 1.190 10.208 562 1HD2 ASN 95 1HD2 ASN 95 5.074 -1.766 9.759 563 2HD2 ASN 95 2HD2 ASN 95 3.602 -1.149 10.435 564 H GLN 96 H GLN 96 8.908 -0.724 7.947 565 HA GLN 96 HA GLN 96 10.572 1.512 8.094 566 1HB GLN 96 2HB GLN 96 11.416 -0.711 8.518 567 2HB GLN 96 1HB GLN 96 11.025 -1.213 6.881 568 1HG GLN 96 2HG GLN 96 13.291 -0.867 6.771 569 2HG GLN 96 1HG GLN 96 12.649 0.658 6.167 570 1HE2 GLN 96 1HE2 GLN 96 13.691 -0.899 9.173 571 2HE2 GLN 96 2HE2 GLN 96 14.416 0.517 9.860 572 H LEU 97 H LEU 97 9.326 -0.277 5.285 573 HA LEU 97 HA LEU 97 10.655 1.197 3.312 574 1HB LEU 97 2HB LEU 97 7.908 0.045 2.921 575 2HB LEU 97 1HB LEU 97 9.195 0.215 1.745 576 HG LEU 97 HG LEU 97 8.933 -1.815 3.940 577 1HD1 LEU 97 1HD1 LEU 97 9.114 -1.854 0.958 578 2HD1 LEU 97 2HD1 LEU 97 7.929 -2.617 2.017 579 3HD1 LEU 97 3HD1 LEU 97 9.562 -3.270 1.906 580 1HD2 LEU 97 1HD2 LEU 97 11.202 -0.965 4.100 581 2HD2 LEU 97 2HD2 LEU 97 11.419 -1.166 2.361 582 3HD2 LEU 97 3HD2 LEU 97 11.203 -2.581 3.393 583 H LEU 98 H LEU 98 7.476 1.703 4.809 584 HA LEU 98 HA LEU 98 6.904 3.995 3.193 585 1HB LEU 98 2HB LEU 98 4.843 4.021 4.159 586 2HB LEU 98 1HB LEU 98 5.286 2.346 4.427 587 HG LEU 98 HG LEU 98 6.222 3.404 6.701 588 1HD1 LEU 98 1HD1 LEU 98 4.200 4.935 7.396 589 2HD1 LEU 98 2HD1 LEU 98 4.171 5.294 5.669 590 3HD1 LEU 98 3HD1 LEU 98 5.629 5.610 6.611 591 1HD2 LEU 98 1HD2 LEU 98 4.389 2.420 7.772 592 2HD2 LEU 98 2HD2 LEU 98 4.520 1.544 6.248 593 3HD2 LEU 98 3HD2 LEU 98 3.295 2.798 6.443 594 H ARG 99 H ARG 99 8.314 3.468 6.354 595 HA ARG 99 HA ARG 99 8.189 6.243 7.103 596 1HB ARG 99 2HB ARG 99 9.403 3.780 8.295 597 2HB ARG 99 1HB ARG 99 9.901 5.360 8.882 598 1HG ARG 99 2HG ARG 99 7.860 5.820 9.808 599 2HG ARG 99 1HG ARG 99 6.994 4.759 8.695 600 1HD ARG 99 2HD ARG 99 8.027 2.810 9.836 601 2HD ARG 99 1HD ARG 99 8.739 3.921 11.006 602 HE ARG 99 HE ARG 99 5.921 4.268 10.816 603 1HH1 ARG 99 1HH1 ARG 99 8.383 2.209 12.188 604 2HH1 ARG 99 2HH1 ARG 99 7.387 1.686 13.504 605 1HH2 ARG 99 1HH2 ARG 99 4.611 3.581 12.547 606 2HH2 ARG 99 2HH2 ARG 99 5.246 2.463 13.708 607 H ASP 100 H ASP 100 10.473 4.162 5.491 608 HA ASP 100 HA ASP 100 12.765 5.778 5.821 609 1HB ASP 100 2HB ASP 100 12.727 3.363 5.079 610 2HB ASP 100 1HB ASP 100 12.213 3.936 3.495 611 H SER 101 H SER 101 9.966 6.215 3.967 612 HA SER 101 HA SER 101 11.204 7.813 1.905 613 1HB SER 101 2HB SER 101 8.405 6.983 2.564 614 2HB SER 101 1HB SER 101 8.666 8.345 1.476 615 HG SER 101 HG SER 101 10.018 6.906 0.231 616 H SER 102 H SER 102 10.110 8.321 5.087 617 HA SER 102 HA SER 102 9.105 10.921 4.981 618 1HB SER 102 2HB SER 102 9.020 9.447 6.984 619 2HB SER 102 1HB SER 102 10.750 9.701 7.211 620 HG SER 102 HG SER 102 8.691 11.649 7.320 621 H ILE 103 H ILE 103 12.375 9.725 4.817 622 HA ILE 103 HA ILE 103 13.849 11.954 5.501 623 HB ILE 103 HB ILE 103 14.474 10.015 3.288 624 1HG1 ILE 103 2HG1 ILE 103 13.929 8.833 5.336 625 2HG1 ILE 103 1HG1 ILE 103 15.660 8.781 5.066 626 1HG2 ILE 103 1HG2 ILE 103 16.796 10.565 3.747 627 2HG2 ILE 103 2HG2 ILE 103 16.300 11.691 5.011 628 3HG2 ILE 103 3HG2 ILE 103 15.899 12.024 3.326 629 1HD1 ILE 103 1HD1 ILE 103 14.160 9.906 7.270 630 2HD1 ILE 103 2HD1 ILE 103 15.370 11.013 6.620 631 3HD1 ILE 103 3HD1 ILE 103 15.850 9.412 7.183 632 H THR 104 H THR 104 12.236 11.184 2.464 633 HA THR 104 HA THR 104 12.895 13.885 1.485 634 HB THR 104 HB THR 104 13.955 12.267 0.066 635 HG1 THR 104 1HG THR 104 12.866 12.705 -1.897 636 1HG2 THR 104 1HG2 THR 104 11.501 10.748 0.441 637 2HG2 THR 104 2HG2 THR 104 13.126 10.205 0.023 638 3HG2 THR 104 3HG2 THR 104 12.048 10.813 -1.234 639 H SER 105 H SER 105 10.447 12.029 2.709 640 HA SER 105 HA SER 105 8.201 12.305 2.868 641 1HB SER 105 2HB SER 105 8.317 14.813 1.227 642 2HB SER 105 1HB SER 105 7.305 14.439 2.622 643 HG SER 105 HG SER 105 9.331 15.888 2.775 644 H LYS 106 H LYS 106 9.145 10.674 0.815 645 HA LYS 106 HA LYS 106 6.869 10.746 -0.958 646 1HB LYS 106 2HB LYS 106 8.474 12.214 -2.118 647 2HB LYS 106 1HB LYS 106 9.667 10.923 -2.092 648 1HG LYS 106 2HG LYS 106 8.736 10.930 -4.256 649 2HG LYS 106 1HG LYS 106 8.036 9.541 -3.423 650 1HD LYS 106 2HD LYS 106 6.380 10.827 -4.742 651 2HD LYS 106 1HD LYS 106 5.990 10.752 -3.022 652 1HE LYS 106 2HE LYS 106 6.203 12.973 -2.759 653 2HE LYS 106 1HE LYS 106 7.637 13.052 -3.783 654 1HZ LYS 106 1HZ LYS 106 5.462 14.183 -4.548 655 2HZ LYS 106 2HZ LYS 106 4.991 12.623 -4.999 656 3HZ LYS 106 3HZ LYS 106 6.378 13.315 -5.675 657 H VAL 107 H VAL 107 6.193 8.747 -1.353 658 HA VAL 107 HA VAL 107 8.116 6.533 -1.297 659 HB VAL 107 HB VAL 107 7.063 6.654 0.936 660 1HG1 VAL 107 1HG1 VAL 107 4.445 5.821 -0.196 661 2HG1 VAL 107 2HG1 VAL 107 4.855 7.537 -0.186 662 3HG1 VAL 107 3HG1 VAL 107 4.813 6.631 1.327 663 1HG2 VAL 107 1HG2 VAL 107 7.780 4.500 0.071 664 2HG2 VAL 107 2HG2 VAL 107 6.221 4.281 -0.721 665 3HG2 VAL 107 3HG2 VAL 107 6.318 4.316 1.040 666 H THR 108 H THR 108 7.590 4.782 -2.588 667 HA THR 108 HA THR 108 5.199 5.102 -4.282 668 HB THR 108 HB THR 108 6.888 3.627 -5.838 669 HG1 THR 108 1HG THR 108 8.486 5.551 -4.503 670 1HG2 THR 108 1HG2 THR 108 5.628 5.954 -6.162 671 2HG2 THR 108 2HG2 THR 108 6.849 5.351 -7.283 672 3HG2 THR 108 3HG2 THR 108 7.289 6.538 -6.055 673 H LEU 109 H LEU 109 3.795 3.629 -3.539 674 HA LEU 109 HA LEU 109 4.801 0.965 -2.831 675 1HB LEU 109 2HB LEU 109 2.412 0.744 -1.879 676 2HB LEU 109 1HB LEU 109 3.588 1.718 -1.018 677 HG LEU 109 HG LEU 109 1.763 3.054 -2.965 678 1HD1 LEU 109 1HD1 LEU 109 0.005 3.250 -1.398 679 2HD1 LEU 109 2HD1 LEU 109 0.962 2.499 -0.122 680 3HD1 LEU 109 3HD1 LEU 109 0.400 1.533 -1.485 681 1HD2 LEU 109 1HD2 LEU 109 2.267 4.962 -1.804 682 2HD2 LEU 109 2HD2 LEU 109 3.757 4.047 -1.559 683 3HD2 LEU 109 3HD2 LEU 109 2.535 4.100 -0.288 684 H GLU 110 H GLU 110 4.462 -0.696 -4.115 685 HA GLU 110 HA GLU 110 2.441 -0.462 -6.242 686 1HB GLU 110 2HB GLU 110 4.988 -0.878 -6.709 687 2HB GLU 110 1HB GLU 110 4.612 -2.530 -6.239 688 1HG GLU 110 2HG GLU 110 3.232 -2.876 -8.058 689 2HG GLU 110 1HG GLU 110 2.970 -1.151 -8.315 690 H ILE 111 H ILE 111 0.592 -1.372 -5.519 691 HA ILE 111 HA ILE 111 0.789 -3.896 -4.038 692 HB ILE 111 HB ILE 111 -1.517 -3.417 -3.306 693 1HG1 ILE 111 2HG1 ILE 111 -1.876 -1.815 -5.310 694 2HG1 ILE 111 1HG1 ILE 111 -2.656 -1.454 -3.773 695 1HG2 ILE 111 1HG2 ILE 111 0.827 -1.781 -2.604 696 2HG2 ILE 111 2HG2 ILE 111 -0.145 -2.865 -1.608 697 3HG2 ILE 111 3HG2 ILE 111 -0.729 -1.242 -1.973 698 1HD1 ILE 111 1HD1 ILE 111 -1.576 0.475 -3.575 699 2HD1 ILE 111 2HD1 ILE 111 -1.134 0.271 -5.270 700 3HD1 ILE 111 3HD1 ILE 111 -0.025 -0.248 -4.001 701 H GLU 112 H GLU 112 -1.029 -5.394 -4.330 702 HA GLU 112 HA GLU 112 -1.859 -5.522 -7.151 703 1HB GLU 112 2HB GLU 112 -0.313 -7.342 -5.895 704 2HB GLU 112 1HB GLU 112 -1.900 -7.980 -5.487 705 1HG GLU 112 2HG GLU 112 -2.421 -8.464 -7.672 706 2HG GLU 112 1HG GLU 112 -1.288 -7.276 -8.316 707 H PHE 113 H PHE 113 -3.965 -5.258 -7.479 708 HA PHE 113 HA PHE 113 -5.812 -5.859 -5.259 709 1HB PHE 113 2HB PHE 113 -7.218 -4.045 -6.000 710 2HB PHE 113 1HB PHE 113 -5.579 -3.429 -5.811 711 HD1 PHE 113 1HD PHE 113 -4.129 -3.319 -7.932 712 HD2 PHE 113 2HD PHE 113 -8.364 -3.725 -7.981 713 HE1 PHE 113 1HE PHE 113 -4.173 -2.506 -10.253 714 HE2 PHE 113 2HE PHE 113 -8.417 -2.912 -10.302 715 HZ PHE 113 HZ PHE 113 -6.325 -2.311 -11.445 716 H ASP 114 H ASP 114 -8.043 -6.384 -5.965 717 HA ASP 114 HA ASP 114 -8.050 -7.856 -8.517 718 1HB ASP 114 2HB ASP 114 -9.602 -8.690 -6.069 719 2HB ASP 114 1HB ASP 114 -9.297 -9.624 -7.531 720 H VAL 115 H VAL 115 -9.838 -7.664 -9.803 721 HA VAL 115 HA VAL 115 -12.208 -6.311 -8.787 722 HB VAL 115 HB VAL 115 -10.866 -5.227 -11.254 723 1HG1 VAL 115 1HG1 VAL 115 -13.187 -4.751 -11.216 724 2HG1 VAL 115 2HG1 VAL 115 -12.362 -3.274 -10.716 725 3HG1 VAL 115 3HG1 VAL 115 -13.137 -4.304 -9.511 726 1HG2 VAL 115 1HG2 VAL 115 -10.579 -4.343 -8.396 727 2HG2 VAL 115 2HG2 VAL 115 -10.294 -3.255 -9.754 728 3HG2 VAL 115 3HG2 VAL 115 -9.310 -4.708 -9.564 729 H ALA 116 H ALA 116 -14.010 -6.359 -10.312 730 HA ALA 116 HA ALA 116 -13.981 -7.691 -12.766 731 1HB ALA 116 1HB ALA 116 -14.290 -9.889 -12.368 732 2HB ALA 116 2HB ALA 116 -15.224 -9.602 -10.900 733 3HB ALA 116 3HB ALA 116 -13.462 -9.522 -10.854 734 H GLU 117 H GLU 117 -15.235 -5.448 -11.924 735 HA GLU 117 HA GLU 117 -17.979 -6.052 -12.505 736 1HB GLU 117 2HB GLU 117 -18.887 -4.910 -10.485 737 2HB GLU 117 1HB GLU 117 -18.087 -6.434 -10.131 738 1HG GLU 117 2HG GLU 117 -16.032 -5.064 -9.574 739 2HG GLU 117 1HG GLU 117 -17.085 -3.651 -9.631 740 H SER 118 H SER 118 -16.211 -4.654 -13.996 741 HA SER 118 HA SER 118 -17.099 -1.863 -13.662 742 1HB SER 118 2HB SER 118 -14.513 -2.751 -14.957 743 2HB SER 118 1HB SER 118 -15.015 -1.097 -14.608 744 HG SER 118 HG SER 118 -14.597 -1.388 -12.519 Start of MODEL 16 1 1H GLN 18 1HT GLN 18 -8.045 -3.067 -19.928 2 2H GLN 18 2HT GLN 18 -8.125 -4.716 -20.402 3 3H GLN 18 3HT GLN 18 -7.949 -4.306 -18.745 4 HA GLN 18 HA GLN 18 -10.254 -3.472 -20.355 5 1HB GLN 18 2HB GLN 18 -9.617 -6.071 -19.976 6 2HB GLN 18 1HB GLN 18 -10.479 -5.753 -18.478 7 1HG GLN 18 2HG GLN 18 -12.475 -5.334 -19.557 8 2HG GLN 18 1HG GLN 18 -11.686 -4.960 -21.089 9 1HE2 GLN 18 1HE2 GLN 18 -13.870 -6.804 -20.510 10 2HE2 GLN 18 2HE2 GLN 18 -13.338 -8.362 -21.055 11 H VAL 19 H VAL 19 -12.175 -3.602 -18.631 12 HA VAL 19 HA VAL 19 -11.334 -1.835 -16.460 13 HB VAL 19 HB VAL 19 -14.151 -2.506 -17.314 14 1HG1 VAL 19 1HG1 VAL 19 -14.643 -0.330 -16.180 15 2HG1 VAL 19 2HG1 VAL 19 -12.984 -0.335 -15.583 16 3HG1 VAL 19 3HG1 VAL 19 -14.098 -1.614 -15.100 17 1HG2 VAL 19 1HG2 VAL 19 -12.648 -1.443 -19.089 18 2HG2 VAL 19 2HG2 VAL 19 -12.661 -0.009 -18.063 19 3HG2 VAL 19 3HG2 VAL 19 -14.172 -0.633 -18.725 20 H VAL 20 H VAL 20 -11.191 -2.505 -14.429 21 HA VAL 20 HA VAL 20 -11.289 -3.810 -12.573 22 HB VAL 20 HB VAL 20 -14.033 -4.131 -13.732 23 1HG1 VAL 20 1HG1 VAL 20 -13.675 -6.266 -12.677 24 2HG1 VAL 20 2HG1 VAL 20 -14.721 -5.293 -11.644 25 3HG1 VAL 20 3HG1 VAL 20 -13.019 -5.490 -11.237 26 1HG2 VAL 20 1HG2 VAL 20 -13.400 -2.022 -12.655 27 2HG2 VAL 20 2HG2 VAL 20 -13.021 -2.899 -11.173 28 3HG2 VAL 20 3HG2 VAL 20 -14.680 -2.850 -11.769 29 H HIS 21 H HIS 21 -9.822 -5.401 -12.651 30 HA HIS 21 HA HIS 21 -10.596 -8.059 -13.058 31 1HB HIS 21 2HB HIS 21 -9.182 -8.581 -15.051 32 2HB HIS 21 1HB HIS 21 -10.602 -7.605 -15.412 33 HD1 HIS 21 1HD HIS 21 -7.571 -7.819 -16.800 34 HD2 HIS 21 2HD HIS 21 -9.365 -4.641 -14.812 35 HE1 HIS 21 1HE HIS 21 -6.385 -5.759 -17.618 36 HE2 HIS 21 2HE HIS 21 -7.530 -3.842 -16.452 37 H THR 22 H THR 22 -9.219 -6.474 -11.192 38 HA THR 22 HA THR 22 -7.408 -6.436 -9.823 39 HB THR 22 HB THR 22 -8.189 -8.824 -9.641 40 HG1 THR 22 1HG THR 22 -5.421 -8.355 -9.262 41 1HG2 THR 22 1HG2 THR 22 -7.643 -9.929 -11.599 42 2HG2 THR 22 2HG2 THR 22 -6.413 -10.483 -10.463 43 3HG2 THR 22 3HG2 THR 22 -6.020 -9.245 -11.653 44 H GLU 23 H GLU 23 -5.304 -5.821 -9.787 45 HA GLU 23 HA GLU 23 -3.320 -6.622 -11.595 46 1HB GLU 23 2HB GLU 23 -3.129 -4.652 -13.027 47 2HB GLU 23 1HB GLU 23 -4.682 -5.440 -13.258 48 1HG GLU 23 2HG GLU 23 -5.666 -3.754 -11.690 49 2HG GLU 23 1HG GLU 23 -4.117 -2.912 -11.736 50 H THR 24 H THR 24 -1.390 -5.121 -11.538 51 HA THR 24 HA THR 24 -1.063 -4.195 -8.805 52 HB THR 24 HB THR 24 1.319 -4.016 -9.373 53 HG1 THR 24 1HG THR 24 0.627 -4.945 -11.955 54 1HG2 THR 24 1HG2 THR 24 1.825 -6.245 -9.476 55 2HG2 THR 24 2HG2 THR 24 0.527 -6.601 -10.615 56 3HG2 THR 24 3HG2 THR 24 0.154 -6.300 -8.918 57 H THR 25 H THR 25 -0.563 -2.105 -8.200 58 HA THR 25 HA THR 25 -0.715 -0.058 -10.306 59 HB THR 25 HB THR 25 -2.866 -0.023 -9.260 60 HG1 THR 25 1HG THR 25 -1.354 2.005 -8.000 61 1HG2 THR 25 1HG2 THR 25 -1.766 0.472 -6.550 62 2HG2 THR 25 2HG2 THR 25 -1.942 -1.188 -7.119 63 3HG2 THR 25 3HG2 THR 25 -3.351 -0.131 -7.033 64 H GLU 26 H GLU 26 0.244 1.963 -9.780 65 HA GLU 26 HA GLU 26 2.387 1.749 -7.775 66 1HB GLU 26 2HB GLU 26 3.565 3.481 -9.149 67 2HB GLU 26 1HB GLU 26 3.338 1.948 -9.980 68 1HG GLU 26 2HG GLU 26 1.142 3.776 -10.456 69 2HG GLU 26 1HG GLU 26 2.697 4.460 -10.932 70 H VAL 27 H VAL 27 1.445 2.628 -6.023 71 HA VAL 27 HA VAL 27 0.028 5.168 -6.319 72 HB VAL 27 HB VAL 27 -0.147 4.366 -3.637 73 1HG1 VAL 27 1HG1 VAL 27 -2.531 3.718 -4.457 74 2HG1 VAL 27 2HG1 VAL 27 -1.978 4.373 -5.997 75 3HG1 VAL 27 3HG1 VAL 27 -1.996 5.395 -4.560 76 1HG2 VAL 27 1HG2 VAL 27 0.675 2.140 -4.273 77 2HG2 VAL 27 2HG2 VAL 27 -0.616 2.009 -5.465 78 3HG2 VAL 27 3HG2 VAL 27 -1.007 2.086 -3.747 79 H VAL 28 H VAL 28 1.421 6.809 -6.297 80 HA VAL 28 HA VAL 28 3.742 6.815 -4.579 81 HB VAL 28 HB VAL 28 2.733 9.175 -6.150 82 1HG1 VAL 28 1HG1 VAL 28 5.398 9.238 -6.366 83 2HG1 VAL 28 2HG1 VAL 28 5.256 8.381 -4.830 84 3HG1 VAL 28 3HG1 VAL 28 4.526 9.976 -5.022 85 1HG2 VAL 28 1HG2 VAL 28 3.642 6.618 -7.179 86 2HG2 VAL 28 2HG2 VAL 28 4.648 7.956 -7.733 87 3HG2 VAL 28 3HG2 VAL 28 2.910 7.980 -8.025 88 H LEU 29 H LEU 29 3.583 7.328 -2.487 89 HA LEU 29 HA LEU 29 1.515 9.258 -1.689 90 1HB LEU 29 2HB LEU 29 2.683 6.866 -0.331 91 2HB LEU 29 1HB LEU 29 2.048 8.179 0.644 92 HG LEU 29 HG LEU 29 0.516 6.519 -1.356 93 1HD1 LEU 29 1HD1 LEU 29 -0.811 6.303 0.965 94 2HD1 LEU 29 2HD1 LEU 29 0.832 6.498 1.575 95 3HD1 LEU 29 3HD1 LEU 29 0.456 5.185 0.460 96 1HD2 LEU 29 1HD2 LEU 29 -0.430 8.644 -1.572 97 2HD2 LEU 29 2HD2 LEU 29 -0.219 9.013 0.140 98 3HD2 LEU 29 3HD2 LEU 29 -1.441 7.847 -0.367 99 H THR 30 H THR 30 2.124 11.145 -0.892 100 HA THR 30 HA THR 30 4.968 11.576 -0.348 101 HB THR 30 HB THR 30 2.864 13.721 -0.538 102 HG1 THR 30 1HG THR 30 4.127 12.305 -2.619 103 1HG2 THR 30 1HG2 THR 30 5.237 14.228 0.210 104 2HG2 THR 30 2HG2 THR 30 4.588 15.179 -1.126 105 3HG2 THR 30 3HG2 THR 30 5.712 13.859 -1.447 106 H ALA 31 H ALA 31 5.704 12.455 1.579 107 HA ALA 31 HA ALA 31 4.127 11.883 3.896 108 1HB ALA 31 1HB ALA 31 6.618 13.485 4.119 109 2HB ALA 31 2HB ALA 31 6.742 11.836 3.506 110 3HB ALA 31 3HB ALA 31 6.047 12.134 5.099 111 H ASP 32 H ASP 32 2.766 13.184 4.930 112 HA ASP 32 HA ASP 32 2.434 15.908 4.067 113 1HB ASP 32 2HB ASP 32 0.920 13.971 5.686 114 2HB ASP 32 1HB ASP 32 0.758 15.645 6.206 115 HA PRO 33 HA PRO 33 5.027 17.646 7.231 116 1HB PRO 33 2HB PRO 33 3.787 20.229 6.787 117 2HB PRO 33 1HB PRO 33 5.402 19.685 6.330 118 1HG PRO 33 2HG PRO 33 3.418 20.208 4.531 119 2HG PRO 33 1HG PRO 33 4.735 19.059 4.235 120 1HD PRO 33 2HD PRO 33 1.906 18.535 5.053 121 2HD PRO 33 1HD PRO 33 2.939 17.643 3.918 122 H VAL 34 H VAL 34 1.695 17.377 7.419 123 HA VAL 34 HA VAL 34 1.552 18.726 10.023 124 HB VAL 34 HB VAL 34 -0.768 17.593 8.466 125 1HG1 VAL 34 1HG1 VAL 34 -0.429 19.155 10.945 126 2HG1 VAL 34 2HG1 VAL 34 -1.683 18.002 10.491 127 3HG1 VAL 34 3HG1 VAL 34 -1.745 19.656 9.885 128 1HG2 VAL 34 1HG2 VAL 34 -0.147 19.159 6.934 129 2HG2 VAL 34 2HG2 VAL 34 0.709 20.142 8.122 130 3HG2 VAL 34 3HG2 VAL 34 -1.051 20.200 8.034 131 H THR 35 H THR 35 0.646 15.661 8.452 132 HA THR 35 HA THR 35 0.772 14.379 11.103 133 HB THR 35 HB THR 35 -0.791 12.653 10.052 134 HG1 THR 35 1HG THR 35 -1.995 13.412 8.288 135 1HG2 THR 35 1HG2 THR 35 -2.794 13.878 10.488 136 2HG2 THR 35 2HG2 THR 35 -1.948 15.414 10.310 137 3HG2 THR 35 3HG2 THR 35 -1.573 14.355 11.669 138 H GLY 36 H GLY 36 1.018 13.592 7.628 139 1HA GLY 36 2HA GLY 36 3.420 12.792 7.127 140 2HA GLY 36 1HA GLY 36 3.031 11.561 8.318 141 H PHE 37 H PHE 37 2.112 9.734 7.629 142 HA PHE 37 HA PHE 37 1.059 9.694 4.878 143 1HB PHE 37 2HB PHE 37 2.712 7.733 6.418 144 2HB PHE 37 1HB PHE 37 1.628 7.141 5.163 145 HD1 PHE 37 1HD PHE 37 2.240 7.237 2.915 146 HD2 PHE 37 2HD PHE 37 4.436 9.479 5.787 147 HE1 PHE 37 1HE PHE 37 3.923 7.772 1.204 148 HE2 PHE 37 2HE PHE 37 6.124 10.019 4.083 149 HZ PHE 37 HZ PHE 37 5.869 9.166 1.785 150 H GLY 38 H GLY 38 0.543 8.694 8.195 151 1HA GLY 38 2HA GLY 38 -1.291 7.837 9.273 152 2HA GLY 38 1HA GLY 38 -2.227 8.678 8.047 153 H ILE 39 H ILE 39 0.021 5.982 7.592 154 HA ILE 39 HA ILE 39 -2.224 4.190 7.051 155 HB ILE 39 HB ILE 39 -1.667 5.173 4.880 156 1HG1 ILE 39 2HG1 ILE 39 -0.586 2.667 4.131 157 2HG1 ILE 39 1HG1 ILE 39 -1.624 2.371 5.527 158 1HG2 ILE 39 1HG2 ILE 39 1.023 4.812 5.810 159 2HG2 ILE 39 2HG2 ILE 39 0.428 5.738 4.432 160 3HG2 ILE 39 3HG2 ILE 39 0.807 4.027 4.245 161 1HD1 ILE 39 1HD1 ILE 39 -2.313 3.187 2.788 162 2HD1 ILE 39 2HD1 ILE 39 -3.230 3.965 4.079 163 3HD1 ILE 39 3HD1 ILE 39 -3.209 2.207 3.948 164 H GLN 40 H GLN 40 -1.811 2.064 7.489 165 HA GLN 40 HA GLN 40 0.912 1.407 8.400 166 1HB GLN 40 2HB GLN 40 -1.454 1.479 9.930 167 2HB GLN 40 1HB GLN 40 -1.072 -0.221 9.701 168 1HG GLN 40 2HG GLN 40 -0.100 0.704 11.753 169 2HG GLN 40 1HG GLN 40 1.121 0.094 10.638 170 1HE2 GLN 40 1HE2 GLN 40 -0.668 3.141 11.001 171 2HE2 GLN 40 2HE2 GLN 40 0.733 4.164 10.971 172 H LEU 41 H LEU 41 1.700 -0.626 7.966 173 HA LEU 41 HA LEU 41 0.216 -2.124 5.920 174 1HB LEU 41 2HB LEU 41 3.057 -1.514 6.396 175 2HB LEU 41 1HB LEU 41 2.743 -3.169 5.913 176 HG LEU 41 HG LEU 41 3.292 -1.444 4.088 177 1HD1 LEU 41 1HD1 LEU 41 1.523 -2.483 2.573 178 2HD1 LEU 41 2HD1 LEU 41 0.984 -3.357 4.007 179 3HD1 LEU 41 3HD1 LEU 41 2.626 -3.578 3.406 180 1HD2 LEU 41 1HD2 LEU 41 0.362 -0.829 4.235 181 2HD2 LEU 41 2HD2 LEU 41 1.628 -0.007 3.325 182 3HD2 LEU 41 3HD2 LEU 41 1.548 0.169 5.078 183 H GLN 42 H GLN 42 -0.958 -3.688 6.871 184 HA GLN 42 HA GLN 42 -0.221 -4.976 9.292 185 1HB GLN 42 2HB GLN 42 -2.368 -5.330 7.257 186 2HB GLN 42 1HB GLN 42 -2.053 -6.661 8.361 187 1HG GLN 42 2HG GLN 42 -2.248 -4.883 10.212 188 2HG GLN 42 1HG GLN 42 -3.024 -3.900 8.970 189 1HE2 GLN 42 1HE2 GLN 42 -3.143 -7.251 10.145 190 2HE2 GLN 42 2HE2 GLN 42 -4.873 -7.359 10.175 191 H GLY 43 H GLY 43 0.946 -6.767 9.661 192 1HA GLY 43 2HA GLY 43 2.177 -8.065 7.339 193 2HA GLY 43 1HA GLY 43 2.756 -8.148 8.995 194 H SER 44 H SER 44 -0.605 -8.633 8.218 195 HA SER 44 HA SER 44 -0.527 -11.447 7.929 196 1HB SER 44 2HB SER 44 0.132 -11.204 10.354 197 2HB SER 44 1HB SER 44 -1.463 -10.510 10.647 198 HG SER 44 HG SER 44 -2.063 -12.506 10.868 199 H VAL 45 H VAL 45 -2.513 -12.275 7.369 200 HA VAL 45 HA VAL 45 -4.554 -10.342 6.760 201 HB VAL 45 HB VAL 45 -5.716 -12.634 6.052 202 1HG1 VAL 45 1HG1 VAL 45 -3.595 -11.109 4.577 203 2HG1 VAL 45 2HG1 VAL 45 -5.345 -10.911 4.481 204 3HG1 VAL 45 3HG1 VAL 45 -4.583 -12.357 3.816 205 1HG2 VAL 45 1HG2 VAL 45 -3.779 -13.928 7.031 206 2HG2 VAL 45 2HG2 VAL 45 -2.819 -13.317 5.684 207 3HG2 VAL 45 3HG2 VAL 45 -4.229 -14.329 5.373 208 H PHE 46 H PHE 46 -6.099 -9.801 8.127 209 HA PHE 46 HA PHE 46 -7.735 -9.917 9.707 210 1HB PHE 46 2HB PHE 46 -7.776 -12.448 8.553 211 2HB PHE 46 1HB PHE 46 -7.658 -12.775 10.280 212 HD1 PHE 46 1HD PHE 46 -9.551 -12.680 11.620 213 HD2 PHE 46 2HD PHE 46 -9.614 -10.844 7.782 214 HE1 PHE 46 1HE PHE 46 -11.965 -12.270 11.862 215 HE2 PHE 46 2HE PHE 46 -12.028 -10.429 8.017 216 HZ PHE 46 HZ PHE 46 -13.206 -11.141 10.059 217 H ALA 47 H ALA 47 -8.026 -11.418 11.993 218 HA ALA 47 HA ALA 47 -5.415 -11.293 13.329 219 1HB ALA 47 1HB ALA 47 -6.014 -9.739 14.846 220 2HB ALA 47 2HB ALA 47 -7.686 -10.298 14.917 221 3HB ALA 47 3HB ALA 47 -7.159 -9.255 13.595 222 H THR 48 H THR 48 -5.019 -13.004 14.563 223 HA THR 48 HA THR 48 -5.286 -15.097 15.441 224 HB THR 48 HB THR 48 -5.947 -13.617 17.301 225 HG1 THR 48 1HG THR 48 -7.322 -16.079 17.070 226 1HG2 THR 48 1HG2 THR 48 -7.864 -12.477 16.682 227 2HG2 THR 48 2HG2 THR 48 -8.449 -13.657 17.856 228 3HG2 THR 48 3HG2 THR 48 -8.677 -13.941 16.132 229 H GLU 49 H GLU 49 -6.362 -15.045 12.911 230 HA GLU 49 HA GLU 49 -8.663 -16.856 13.215 231 1HB GLU 49 2HB GLU 49 -8.492 -14.379 11.715 232 2HB GLU 49 1HB GLU 49 -8.894 -15.731 10.667 233 1HG GLU 49 2HG GLU 49 -10.371 -15.381 13.230 234 2HG GLU 49 1HG GLU 49 -10.767 -14.359 11.848 235 H THR 50 H THR 50 -6.450 -15.769 10.634 236 HA THR 50 HA THR 50 -5.190 -18.284 10.388 237 HB THR 50 HB THR 50 -6.546 -17.826 7.841 238 HG1 THR 50 1HG THR 50 -8.154 -18.828 9.934 239 1HG2 THR 50 1HG2 THR 50 -7.197 -20.323 8.482 240 2HG2 THR 50 2HG2 THR 50 -5.809 -20.113 9.551 241 3HG2 THR 50 3HG2 THR 50 -5.626 -19.883 7.812 242 H LEU 51 H LEU 51 -3.265 -17.221 10.323 243 HA LEU 51 HA LEU 51 -2.867 -15.063 8.418 244 1HB LEU 51 2HB LEU 51 -1.859 -14.658 10.509 245 2HB LEU 51 1HB LEU 51 -1.177 -16.270 10.589 246 HG LEU 51 HG LEU 51 0.528 -15.751 9.038 247 1HD1 LEU 51 1HD1 LEU 51 -0.198 -14.588 7.256 248 2HD1 LEU 51 2HD1 LEU 51 0.391 -13.202 8.172 249 3HD1 LEU 51 3HD1 LEU 51 -1.322 -13.619 8.209 250 1HD2 LEU 51 1HD2 LEU 51 0.238 -14.339 11.404 251 2HD2 LEU 51 2HD2 LEU 51 0.705 -13.114 10.223 252 3HD2 LEU 51 3HD2 LEU 51 1.721 -14.535 10.469 253 H SER 52 H SER 52 -2.328 -15.482 6.396 254 HA SER 52 HA SER 52 -0.228 -17.348 5.778 255 1HB SER 52 2HB SER 52 -2.744 -18.400 5.810 256 2HB SER 52 1HB SER 52 -2.585 -17.910 4.124 257 HG SER 52 HG SER 52 -1.815 -20.038 4.470 258 H SER 53 H SER 53 -1.075 -14.483 5.470 259 HA SER 53 HA SER 53 -0.498 -14.266 2.594 260 1HB SER 53 2HB SER 53 -2.881 -13.513 3.698 261 2HB SER 53 1HB SER 53 -1.972 -12.005 3.777 262 HG SER 53 HG SER 53 -3.032 -13.282 1.621 263 HA PRO 54 HA PRO 54 2.969 -11.819 3.841 264 1HB PRO 54 2HB PRO 54 3.326 -10.331 1.590 265 2HB PRO 54 1HB PRO 54 3.766 -12.040 1.697 266 1HG PRO 54 2HG PRO 54 1.317 -10.785 0.517 267 2HG PRO 54 1HG PRO 54 2.315 -12.106 -0.119 268 1HD PRO 54 2HD PRO 54 -0.030 -12.551 1.143 269 2HD PRO 54 1HD PRO 54 1.336 -13.678 1.257 270 HA PRO 55 HA PRO 55 1.918 -7.820 5.374 271 1HB PRO 55 2HB PRO 55 3.744 -6.149 4.064 272 2HB PRO 55 1HB PRO 55 4.018 -6.988 5.592 273 1HG PRO 55 2HG PRO 55 4.856 -7.749 2.836 274 2HG PRO 55 1HG PRO 55 5.712 -7.966 4.373 275 1HD PRO 55 2HD PRO 55 4.499 -10.018 3.161 276 2HD PRO 55 1HD PRO 55 4.482 -9.857 4.930 277 H LEU 56 H LEU 56 0.153 -6.732 4.815 278 HA LEU 56 HA LEU 56 -0.009 -5.549 2.135 279 1HB LEU 56 2HB LEU 56 -2.363 -6.242 1.951 280 2HB LEU 56 1HB LEU 56 -1.263 -7.609 1.996 281 HG LEU 56 HG LEU 56 -2.537 -6.710 4.543 282 1HD1 LEU 56 1HD1 LEU 56 -3.896 -8.434 2.476 283 2HD1 LEU 56 2HD1 LEU 56 -4.383 -6.803 2.941 284 3HD1 LEU 56 3HD1 LEU 56 -4.474 -8.119 4.113 285 1HD2 LEU 56 1HD2 LEU 56 -0.896 -8.419 4.744 286 2HD2 LEU 56 2HD2 LEU 56 -1.593 -9.331 3.404 287 3HD2 LEU 56 3HD2 LEU 56 -2.474 -9.189 4.925 288 H ILE 57 H ILE 57 -1.213 -3.653 1.988 289 HA ILE 57 HA ILE 57 -1.276 -2.000 4.255 290 HB ILE 57 HB ILE 57 -2.744 -1.700 1.629 291 1HG1 ILE 57 2HG1 ILE 57 -0.283 -0.194 2.456 292 2HG1 ILE 57 1HG1 ILE 57 -0.145 -1.805 1.762 293 1HG2 ILE 57 1HG2 ILE 57 -2.886 0.694 2.204 294 2HG2 ILE 57 2HG2 ILE 57 -2.229 0.331 3.800 295 3HG2 ILE 57 3HG2 ILE 57 -3.796 -0.322 3.320 296 1HD1 ILE 57 1HD1 ILE 57 -1.785 -0.622 -0.029 297 2HD1 ILE 57 2HD1 ILE 57 -0.029 -0.690 -0.172 298 3HD1 ILE 57 3HD1 ILE 57 -0.804 0.748 0.492 299 H SER 58 H SER 58 -2.814 -1.597 5.771 300 HA SER 58 HA SER 58 -5.581 -2.265 5.318 301 1HB SER 58 2HB SER 58 -4.110 -4.376 6.148 302 2HB SER 58 1HB SER 58 -4.543 -3.676 7.707 303 HG SER 58 HG SER 58 -6.281 -4.545 5.645 304 H TYR 59 H TYR 59 -4.272 0.144 5.939 305 HA TYR 59 HA TYR 59 -5.827 0.978 8.171 306 1HB TYR 59 2HB TYR 59 -4.041 -0.026 9.462 307 2HB TYR 59 1HB TYR 59 -2.830 0.855 8.537 308 HD1 TYR 59 1HD TYR 59 -2.658 3.338 8.795 309 HD2 TYR 59 2HD TYR 59 -5.141 0.971 11.313 310 HE1 TYR 59 1HE TYR 59 -2.755 5.179 10.423 311 HE2 TYR 59 2HE TYR 59 -5.244 2.806 12.947 312 HH TYR 59 HH TYR 59 -3.245 5.154 13.205 313 H ILE 60 H ILE 60 -6.347 3.047 7.939 314 HA ILE 60 HA ILE 60 -4.537 4.899 6.604 315 HB ILE 60 HB ILE 60 -7.318 5.077 5.613 316 1HG1 ILE 60 2HG1 ILE 60 -5.419 2.978 4.534 317 2HG1 ILE 60 1HG1 ILE 60 -6.864 2.634 5.479 318 1HG2 ILE 60 1HG2 ILE 60 -5.696 6.682 4.891 319 2HG2 ILE 60 2HG2 ILE 60 -6.088 5.647 3.519 320 3HG2 ILE 60 3HG2 ILE 60 -4.580 5.408 4.401 321 1HD1 ILE 60 1HD1 ILE 60 -7.337 2.284 3.161 322 2HD1 ILE 60 2HD1 ILE 60 -6.743 3.894 2.752 323 3HD1 ILE 60 3HD1 ILE 60 -8.214 3.713 3.709 324 H GLU 61 H GLU 61 -5.065 7.126 6.981 325 HA GLU 61 HA GLU 61 -6.699 7.466 9.394 326 1HB GLU 61 2HB GLU 61 -4.212 8.607 8.434 327 2HB GLU 61 1HB GLU 61 -5.359 9.866 8.869 328 1HG GLU 61 2HG GLU 61 -5.572 8.137 10.975 329 2HG GLU 61 1HG GLU 61 -3.863 8.022 10.560 330 H ALA 62 H ALA 62 -8.087 9.286 9.613 331 HA ALA 62 HA ALA 62 -9.564 9.816 7.186 332 1HB ALA 62 1HB ALA 62 -10.905 11.224 9.007 333 2HB ALA 62 2HB ALA 62 -10.031 10.141 10.092 334 3HB ALA 62 3HB ALA 62 -11.082 9.478 8.840 335 H ASP 63 H ASP 63 -7.073 10.919 7.001 336 HA ASP 63 HA ASP 63 -7.463 13.449 6.078 337 1HB ASP 63 2HB ASP 63 -7.400 13.463 8.949 338 2HB ASP 63 1HB ASP 63 -5.989 14.322 8.342 339 H SER 64 H SER 64 -5.894 11.043 5.668 340 HA SER 64 HA SER 64 -3.216 12.259 5.560 341 1HB SER 64 2HB SER 64 -4.007 9.831 6.853 342 2HB SER 64 1HB SER 64 -2.943 9.432 5.506 343 HG SER 64 HG SER 64 -1.378 10.756 6.371 344 HA PRO 65 HA PRO 65 -3.125 11.910 1.175 345 1HB PRO 65 2HB PRO 65 -0.580 10.409 1.659 346 2HB PRO 65 1HB PRO 65 -0.909 11.722 0.523 347 1HG PRO 65 2HG PRO 65 0.376 12.196 2.805 348 2HG PRO 65 1HG PRO 65 -0.806 13.353 2.168 349 1HD PRO 65 2HD PRO 65 -1.032 11.490 4.469 350 2HD PRO 65 1HD PRO 65 -1.818 13.058 4.201 351 H ALA 66 H ALA 66 -2.315 9.016 3.057 352 HA ALA 66 HA ALA 66 -2.644 7.111 1.036 353 1HB ALA 66 1HB ALA 66 -1.628 6.610 3.204 354 2HB ALA 66 2HB ALA 66 -2.935 5.490 2.829 355 3HB ALA 66 3HB ALA 66 -3.200 6.796 3.983 356 H GLU 67 H GLU 67 -4.986 8.607 3.206 357 HA GLU 67 HA GLU 67 -7.186 6.994 2.315 358 1HB GLU 67 2HB GLU 67 -6.684 8.873 4.393 359 2HB GLU 67 1HB GLU 67 -8.074 9.448 3.487 360 1HG GLU 67 2HG GLU 67 -7.747 6.852 4.944 361 2HG GLU 67 1HG GLU 67 -8.926 8.130 5.226 362 H ARG 68 H ARG 68 -6.210 10.376 1.835 363 HA ARG 68 HA ARG 68 -8.285 10.944 -0.029 364 1HB ARG 68 2HB ARG 68 -5.713 12.409 0.572 365 2HB ARG 68 1HB ARG 68 -7.017 13.038 -0.427 366 1HG ARG 68 2HG ARG 68 -7.592 14.018 1.526 367 2HG ARG 68 1HG ARG 68 -8.427 12.481 1.758 368 1HD ARG 68 2HD ARG 68 -5.671 12.323 2.616 369 2HD ARG 68 1HD ARG 68 -6.520 13.633 3.434 370 HE ARG 68 HE ARG 68 -6.787 10.903 4.000 371 1HH1 ARG 68 1HH1 ARG 68 -8.791 13.728 3.520 372 2HH1 ARG 68 2HH1 ARG 68 -10.080 13.135 4.512 373 1HH2 ARG 68 1HH2 ARG 68 -8.489 10.132 5.313 374 2HH2 ARG 68 2HH2 ARG 68 -9.908 11.099 5.528 375 H CYS 69 H CYS 69 -5.475 9.144 -0.342 376 HA CYS 69 HA CYS 69 -4.394 9.828 -2.783 377 1HB CYS 69 2HB CYS 69 -3.993 7.801 -1.014 378 2HB CYS 69 1HB CYS 69 -4.728 6.927 -2.354 379 HG CYS 69 HG CYS 69 -2.720 8.090 -3.821 380 H GLY 70 H GLY 70 -7.464 8.355 -2.109 381 1HA GLY 70 2HA GLY 70 -9.235 7.837 -3.476 382 2HA GLY 70 1HA GLY 70 -8.458 8.829 -4.700 383 H VAL 71 H VAL 71 -7.373 5.823 -3.152 384 HA VAL 71 HA VAL 71 -7.979 4.140 -5.337 385 HB VAL 71 HB VAL 71 -6.237 5.416 -6.481 386 1HG1 VAL 71 1HG1 VAL 71 -3.950 5.447 -5.719 387 2HG1 VAL 71 2HG1 VAL 71 -4.367 4.459 -4.319 388 3HG1 VAL 71 3HG1 VAL 71 -4.995 6.102 -4.459 389 1HG2 VAL 71 1HG2 VAL 71 -4.771 2.912 -5.998 390 2HG2 VAL 71 2HG2 VAL 71 -5.391 3.595 -7.502 391 3HG2 VAL 71 3HG2 VAL 71 -6.474 2.721 -6.419 392 H LEU 72 H LEU 72 -5.669 4.745 -2.713 393 HA LEU 72 HA LEU 72 -5.030 2.070 -2.163 394 1HB LEU 72 2HB LEU 72 -4.868 4.640 -0.678 395 2HB LEU 72 1HB LEU 72 -4.728 3.163 0.256 396 HG LEU 72 HG LEU 72 -2.987 3.787 -2.127 397 1HD1 LEU 72 1HD1 LEU 72 -2.924 5.249 0.126 398 2HD1 LEU 72 2HD1 LEU 72 -1.494 4.873 -0.835 399 3HD1 LEU 72 3HD1 LEU 72 -1.870 3.915 0.596 400 1HD2 LEU 72 1HD2 LEU 72 -3.282 1.400 -1.452 401 2HD2 LEU 72 2HD2 LEU 72 -2.587 1.816 0.115 402 3HD2 LEU 72 3HD2 LEU 72 -1.623 1.989 -1.350 403 H GLN 73 H GLN 73 -5.641 0.892 -0.134 404 HA GLN 73 HA GLN 73 -8.262 1.459 0.942 405 1HB GLN 73 2HB GLN 73 -8.309 0.017 -1.324 406 2HB GLN 73 1HB GLN 73 -8.054 -1.284 -0.168 407 1HG GLN 73 2HG GLN 73 -10.110 -1.048 0.767 408 2HG GLN 73 1HG GLN 73 -10.188 0.681 0.431 409 1HE2 GLN 73 1HE2 GLN 73 -12.215 0.610 -0.467 410 2HE2 GLN 73 2HE2 GLN 73 -12.541 -0.130 -2.001 411 H ILE 74 H ILE 74 -8.925 -0.369 2.487 412 HA ILE 74 HA ILE 74 -6.675 -0.875 4.228 413 HB ILE 74 HB ILE 74 -8.790 -0.049 5.155 414 1HG1 ILE 74 2HG1 ILE 74 -8.728 -2.782 6.279 415 2HG1 ILE 74 1HG1 ILE 74 -7.188 -1.937 6.239 416 1HG2 ILE 74 1HG2 ILE 74 -10.797 -0.941 4.734 417 2HG2 ILE 74 2HG2 ILE 74 -10.213 -2.592 4.940 418 3HG2 ILE 74 3HG2 ILE 74 -9.988 -1.763 3.399 419 1HD1 ILE 74 1HD1 ILE 74 -8.492 -0.001 7.343 420 2HD1 ILE 74 2HD1 ILE 74 -8.017 -1.392 8.318 421 3HD1 ILE 74 3HD1 ILE 74 -9.674 -1.251 7.732 422 H GLY 75 H GLY 75 -6.055 -2.354 2.155 423 1HA GLY 75 2HA GLY 75 -5.609 -4.887 2.959 424 2HA GLY 75 1HA GLY 75 -7.234 -4.998 2.303 425 H ASP 76 H ASP 76 -4.147 -3.484 1.336 426 HA ASP 76 HA ASP 76 -4.657 -4.396 -1.406 427 1HB ASP 76 2HB ASP 76 -2.859 -2.261 -0.266 428 2HB ASP 76 1HB ASP 76 -2.715 -2.815 -1.932 429 H ARG 77 H ARG 77 -3.569 -6.065 -2.213 430 HA ARG 77 HA ARG 77 -1.661 -7.484 -0.658 431 1HB ARG 77 2HB ARG 77 -2.848 -7.783 -3.373 432 2HB ARG 77 1HB ARG 77 -1.363 -8.657 -3.028 433 1HG ARG 77 2HG ARG 77 -3.214 -10.098 -2.593 434 2HG ARG 77 1HG ARG 77 -2.477 -9.661 -1.050 435 1HD ARG 77 2HD ARG 77 -4.382 -8.771 -0.324 436 2HD ARG 77 1HD ARG 77 -4.520 -7.762 -1.763 437 HE ARG 77 HE ARG 77 -5.303 -10.266 -2.561 438 1HH1 ARG 77 1HH1 ARG 77 -6.329 -7.990 -0.122 439 2HH1 ARG 77 2HH1 ARG 77 -7.981 -8.509 -0.155 440 1HH2 ARG 77 1HH2 ARG 77 -7.476 -10.950 -2.604 441 2HH2 ARG 77 2HH2 ARG 77 -8.632 -10.189 -1.563 442 H VAL 78 H VAL 78 -0.208 -5.569 -0.371 443 HA VAL 78 HA VAL 78 1.333 -4.538 -2.493 444 HB VAL 78 HB VAL 78 2.402 -4.768 0.303 445 1HG1 VAL 78 1HG1 VAL 78 3.976 -3.730 -1.029 446 2HG1 VAL 78 2HG1 VAL 78 3.083 -2.353 -0.381 447 3HG1 VAL 78 3HG1 VAL 78 2.761 -2.923 -2.020 448 1HG2 VAL 78 1HG2 VAL 78 -0.094 -3.552 -0.464 449 2HG2 VAL 78 2HG2 VAL 78 1.036 -2.334 0.128 450 3HG2 VAL 78 3HG2 VAL 78 0.624 -3.720 1.136 451 H MET 79 H MET 79 3.417 -5.035 -3.222 452 HA MET 79 HA MET 79 4.872 -7.267 -2.150 453 1HB MET 79 2HB MET 79 2.945 -8.148 -3.696 454 2HB MET 79 1HB MET 79 4.018 -7.643 -4.994 455 1HG MET 79 2HG MET 79 5.716 -9.053 -3.412 456 2HG MET 79 1HG MET 79 4.202 -9.923 -3.170 457 1HE MET 79 1HE MET 79 7.181 -9.798 -4.586 458 2HE MET 79 2HE MET 79 7.102 -9.568 -6.333 459 3HE MET 79 3HE MET 79 7.070 -11.196 -5.655 460 H ALA 80 H ALA 80 5.256 -4.412 -2.876 461 HA ALA 80 HA ALA 80 7.885 -4.469 -3.718 462 1HB ALA 80 1HB ALA 80 7.154 -3.331 -6.101 463 2HB ALA 80 2HB ALA 80 5.997 -4.653 -5.941 464 3HB ALA 80 3HB ALA 80 7.728 -4.986 -5.890 465 H ILE 81 H ILE 81 7.633 -2.939 -1.956 466 HA ILE 81 HA ILE 81 6.515 -0.342 -2.732 467 HB ILE 81 HB ILE 81 7.503 -1.196 -0.014 468 1HG1 ILE 81 2HG1 ILE 81 4.628 -0.997 -0.910 469 2HG1 ILE 81 1HG1 ILE 81 5.534 -2.512 -0.946 470 1HG2 ILE 81 1HG2 ILE 81 5.876 0.744 0.594 471 2HG2 ILE 81 2HG2 ILE 81 6.145 1.240 -1.078 472 3HG2 ILE 81 3HG2 ILE 81 7.508 1.108 0.034 473 1HD1 ILE 81 1HD1 ILE 81 5.726 -1.199 1.623 474 2HD1 ILE 81 2HD1 ILE 81 5.223 -2.841 1.224 475 3HD1 ILE 81 3HD1 ILE 81 4.056 -1.520 1.161 476 H ASN 82 H ASN 82 7.785 1.295 -3.286 477 HA ASN 82 HA ASN 82 9.685 2.399 -3.909 478 1HB ASN 82 2HB ASN 82 11.067 3.115 -2.059 479 2HB ASN 82 1HB ASN 82 9.390 3.055 -1.528 480 1HD2 ASN 82 1HD2 ASN 82 12.544 1.657 -1.247 481 2HD2 ASN 82 2HD2 ASN 82 12.211 0.673 0.140 482 H GLY 83 H GLY 83 9.718 -0.474 -4.430 483 1HA GLY 83 2HA GLY 83 11.450 -1.547 -5.681 484 2HA GLY 83 1HA GLY 83 12.636 -0.772 -4.643 485 H ILE 84 H ILE 84 11.531 -1.406 -2.143 486 HA ILE 84 HA ILE 84 12.483 -4.086 -1.843 487 HB ILE 84 HB ILE 84 11.102 -2.388 0.229 488 1HG1 ILE 84 2HG1 ILE 84 13.097 -1.318 -0.975 489 2HG1 ILE 84 1HG1 ILE 84 13.165 -1.394 0.782 490 1HG2 ILE 84 1HG2 ILE 84 13.077 -4.648 0.513 491 2HG2 ILE 84 2HG2 ILE 84 11.341 -4.753 0.807 492 3HG2 ILE 84 3HG2 ILE 84 12.349 -3.728 1.830 493 1HD1 ILE 84 1HD1 ILE 84 15.005 -2.641 0.747 494 2HD1 ILE 84 2HD1 ILE 84 15.126 -2.206 -0.958 495 3HD1 ILE 84 3HD1 ILE 84 14.354 -3.721 -0.487 496 HA PRO 85 HA PRO 85 8.281 -5.707 -2.200 497 1HB PRO 85 2HB PRO 85 8.916 -8.027 -3.346 498 2HB PRO 85 1HB PRO 85 9.027 -6.511 -4.246 499 1HG PRO 85 2HG PRO 85 11.187 -8.200 -3.119 500 2HG PRO 85 1HG PRO 85 11.215 -7.132 -4.530 501 1HD PRO 85 2HD PRO 85 12.153 -6.566 -1.891 502 2HD PRO 85 1HD PRO 85 12.101 -5.468 -3.279 503 H THR 86 H THR 86 8.675 -5.707 0.296 504 HA THR 86 HA THR 86 9.663 -7.884 1.686 505 HB THR 86 HB THR 86 9.069 -5.959 2.927 506 HG1 THR 86 1HG THR 86 8.506 -7.250 4.461 507 1HG2 THR 86 1HG2 THR 86 6.189 -6.059 2.811 508 2HG2 THR 86 2HG2 THR 86 6.897 -5.719 1.232 509 3HG2 THR 86 3HG2 THR 86 7.283 -4.690 2.612 510 H GLU 87 H GLU 87 9.196 -9.852 0.759 511 HA GLU 87 HA GLU 87 6.383 -10.711 0.946 512 1HB GLU 87 2HB GLU 87 8.365 -11.032 -1.231 513 2HB GLU 87 1HB GLU 87 7.382 -12.444 -0.870 514 1HG GLU 87 2HG GLU 87 6.013 -9.832 -1.195 515 2HG GLU 87 1HG GLU 87 6.634 -10.639 -2.634 516 H ASP 88 H ASP 88 7.310 -11.153 3.202 517 HA ASP 88 HA ASP 88 7.813 -13.972 3.386 518 1HB ASP 88 2HB ASP 88 9.972 -11.989 4.043 519 2HB ASP 88 1HB ASP 88 9.880 -13.526 4.895 520 H SER 89 H SER 89 5.846 -11.976 4.269 521 HA SER 89 HA SER 89 4.580 -11.467 6.090 522 1HB SER 89 2HB SER 89 4.859 -14.069 6.207 523 2HB SER 89 1HB SER 89 5.866 -13.711 7.610 524 HG SER 89 HG SER 89 3.975 -12.407 8.317 525 H THR 90 H THR 90 5.598 -9.494 6.555 526 HA THR 90 HA THR 90 6.938 -9.448 9.116 527 HB THR 90 HB THR 90 8.360 -7.883 7.029 528 HG1 THR 90 1HG THR 90 8.823 -10.655 7.387 529 1HG2 THR 90 1HG2 THR 90 9.140 -9.339 9.527 530 2HG2 THR 90 2HG2 THR 90 9.268 -7.618 9.163 531 3HG2 THR 90 3HG2 THR 90 10.335 -8.773 8.362 532 H PHE 91 H PHE 91 5.594 -8.105 10.116 533 HA PHE 91 HA PHE 91 4.193 -5.991 8.837 534 1HB PHE 91 2HB PHE 91 3.166 -7.014 10.725 535 2HB PHE 91 1HB PHE 91 4.589 -6.759 11.727 536 HD1 PHE 91 1HD PHE 91 4.848 -4.798 12.985 537 HD2 PHE 91 2HD PHE 91 1.797 -5.028 10.027 538 HE1 PHE 91 1HE PHE 91 3.879 -2.699 13.828 539 HE2 PHE 91 2HE PHE 91 0.823 -2.929 10.864 540 HZ PHE 91 HZ PHE 91 1.865 -1.762 12.766 541 H GLU 92 H GLU 92 6.932 -6.043 11.105 542 HA GLU 92 HA GLU 92 7.276 -3.270 11.297 543 1HB GLU 92 2HB GLU 92 9.486 -3.767 12.181 544 2HB GLU 92 1HB GLU 92 8.300 -4.882 12.843 545 1HG GLU 92 2HG GLU 92 9.067 -6.413 10.874 546 2HG GLU 92 1HG GLU 92 10.501 -5.388 10.904 547 H GLU 93 H GLU 93 8.677 -5.610 9.034 548 HA GLU 93 HA GLU 93 10.513 -3.901 7.804 549 1HB GLU 93 2HB GLU 93 9.649 -6.538 7.463 550 2HB GLU 93 1HB GLU 93 9.363 -5.762 5.912 551 1HG GLU 93 2HG GLU 93 11.970 -5.165 7.097 552 2HG GLU 93 1HG GLU 93 11.715 -6.865 6.710 553 H ALA 94 H ALA 94 7.151 -4.642 6.882 554 HA ALA 94 HA ALA 94 7.034 -3.053 4.592 555 1HB ALA 94 1HB ALA 94 4.843 -3.756 6.541 556 2HB ALA 94 2HB ALA 94 5.302 -4.654 5.095 557 3HB ALA 94 3HB ALA 94 4.584 -3.050 4.947 558 H ASN 95 H ASN 95 6.065 -2.230 7.924 559 HA ASN 95 HA ASN 95 5.313 0.408 7.460 560 1HB ASN 95 2HB ASN 95 6.419 -0.995 9.886 561 2HB ASN 95 1HB ASN 95 6.031 0.723 9.926 562 1HD2 ASN 95 1HD2 ASN 95 4.587 -0.145 11.647 563 2HD2 ASN 95 2HD2 ASN 95 3.000 -0.652 11.171 564 H GLN 96 H GLN 96 8.484 -1.012 7.978 565 HA GLN 96 HA GLN 96 9.937 1.349 8.345 566 1HB GLN 96 2HB GLN 96 10.879 -0.825 8.883 567 2HB GLN 96 1HB GLN 96 10.785 -1.314 7.198 568 1HG GLN 96 2HG GLN 96 12.926 -0.703 7.132 569 2HG GLN 96 1HG GLN 96 12.280 0.930 6.996 570 1HE2 GLN 96 1HE2 GLN 96 12.386 2.314 8.742 571 2HE2 GLN 96 2HE2 GLN 96 13.364 1.983 10.137 572 H LEU 97 H LEU 97 8.978 -0.432 5.456 573 HA LEU 97 HA LEU 97 10.478 1.010 3.574 574 1HB LEU 97 2HB LEU 97 7.729 -0.105 3.055 575 2HB LEU 97 1HB LEU 97 9.043 0.098 1.913 576 HG LEU 97 HG LEU 97 8.788 -1.965 4.088 577 1HD1 LEU 97 1HD1 LEU 97 9.244 -2.226 1.123 578 2HD1 LEU 97 2HD1 LEU 97 7.681 -2.386 1.921 579 3HD1 LEU 97 3HD1 LEU 97 8.972 -3.534 2.273 580 1HD2 LEU 97 1HD2 LEU 97 11.062 -1.148 4.182 581 2HD2 LEU 97 2HD2 LEU 97 11.216 -1.291 2.432 582 3HD2 LEU 97 3HD2 LEU 97 11.035 -2.740 3.423 583 H LEU 98 H LEU 98 7.249 1.543 4.918 584 HA LEU 98 HA LEU 98 6.772 3.897 3.339 585 1HB LEU 98 2HB LEU 98 5.352 2.988 5.843 586 2HB LEU 98 1HB LEU 98 4.770 4.166 4.681 587 HG LEU 98 HG LEU 98 5.093 1.197 4.256 588 1HD1 LEU 98 1HD1 LEU 98 2.820 3.046 4.731 589 2HD1 LEU 98 2HD1 LEU 98 3.070 1.388 5.282 590 3HD1 LEU 98 3HD1 LEU 98 2.576 1.700 3.618 591 1HD2 LEU 98 1HD2 LEU 98 3.960 1.830 2.017 592 2HD2 LEU 98 2HD2 LEU 98 5.705 2.033 2.181 593 3HD2 LEU 98 3HD2 LEU 98 4.637 3.431 2.315 594 H ARG 99 H ARG 99 8.109 3.201 6.488 595 HA ARG 99 HA ARG 99 7.922 5.770 7.617 596 1HB ARG 99 2HB ARG 99 8.885 3.287 8.414 597 2HB ARG 99 1HB ARG 99 10.310 4.316 8.426 598 1HG ARG 99 2HG ARG 99 9.648 4.849 10.487 599 2HG ARG 99 1HG ARG 99 8.495 5.908 9.672 600 1HD ARG 99 2HD ARG 99 6.735 4.412 9.953 601 2HD ARG 99 1HD ARG 99 7.815 3.044 10.220 602 HE ARG 99 HE ARG 99 6.868 4.916 12.183 603 1HH1 ARG 99 1HH1 ARG 99 9.401 2.655 11.375 604 2HH1 ARG 99 2HH1 ARG 99 9.861 2.389 13.024 605 1HH2 ARG 99 1HH2 ARG 99 7.473 4.569 14.352 606 2HH2 ARG 99 2HH2 ARG 99 8.767 3.475 14.714 607 H ASP 100 H ASP 100 10.306 4.306 5.484 608 HA ASP 100 HA ASP 100 12.212 6.408 5.725 609 1HB ASP 100 2HB ASP 100 13.329 5.358 3.820 610 2HB ASP 100 1HB ASP 100 12.858 4.150 5.011 611 H SER 101 H SER 101 9.222 6.295 4.220 612 HA SER 101 HA SER 101 9.763 7.823 1.888 613 1HB SER 101 2HB SER 101 7.131 7.730 3.365 614 2HB SER 101 1HB SER 101 7.402 7.997 1.644 615 HG SER 101 HG SER 101 6.752 5.783 2.519 616 H SER 102 H SER 102 9.340 8.610 5.231 617 HA SER 102 HA SER 102 8.528 11.293 4.984 618 1HB SER 102 2HB SER 102 9.281 11.554 7.288 619 2HB SER 102 1HB SER 102 8.457 10.004 7.108 620 HG SER 102 HG SER 102 10.564 9.053 6.890 621 H ILE 103 H ILE 103 11.783 9.933 5.528 622 HA ILE 103 HA ILE 103 13.230 12.286 5.392 623 HB ILE 103 HB ILE 103 14.119 9.584 4.417 624 1HG1 ILE 103 2HG1 ILE 103 13.185 9.482 6.675 625 2HG1 ILE 103 1HG1 ILE 103 14.926 9.288 6.710 626 1HG2 ILE 103 1HG2 ILE 103 15.737 11.891 5.496 627 2HG2 ILE 103 2HG2 ILE 103 15.586 11.479 3.787 628 3HG2 ILE 103 3HG2 ILE 103 16.357 10.350 4.901 629 1HD1 ILE 103 1HD1 ILE 103 15.070 10.920 8.183 630 2HD1 ILE 103 2HD1 ILE 103 13.324 11.163 8.095 631 3HD1 ILE 103 3HD1 ILE 103 14.396 12.037 6.998 632 H THR 104 H THR 104 12.169 10.142 2.795 633 HA THR 104 HA THR 104 13.474 11.681 0.745 634 HB THR 104 HB THR 104 11.500 9.400 0.620 635 HG1 THR 104 1HG THR 104 14.304 9.584 0.334 636 1HG2 THR 104 1HG2 THR 104 13.126 10.466 -1.668 637 2HG2 THR 104 2HG2 THR 104 11.415 10.812 -1.429 638 3HG2 THR 104 3HG2 THR 104 11.950 9.153 -1.697 639 H SER 105 H SER 105 10.459 11.715 2.345 640 HA SER 105 HA SER 105 8.761 13.240 2.292 641 1HB SER 105 2HB SER 105 10.653 14.774 1.343 642 2HB SER 105 1HB SER 105 9.826 14.529 -0.195 643 HG SER 105 HG SER 105 7.969 15.411 0.698 644 H LYS 106 H LYS 106 9.508 11.052 -0.108 645 HA LYS 106 HA LYS 106 6.749 10.881 -0.924 646 1HB LYS 106 2HB LYS 106 8.239 12.513 -2.473 647 2HB LYS 106 1HB LYS 106 8.588 10.974 -3.247 648 1HG LYS 106 2HG LYS 106 5.963 10.727 -3.143 649 2HG LYS 106 1HG LYS 106 6.042 12.490 -3.089 650 1HD LYS 106 2HD LYS 106 7.795 11.953 -5.089 651 2HD LYS 106 1HD LYS 106 6.642 10.631 -5.290 652 1HE LYS 106 2HE LYS 106 4.931 12.670 -4.965 653 2HE LYS 106 1HE LYS 106 6.289 13.544 -5.671 654 1HZ LYS 106 1HZ LYS 106 6.254 12.072 -7.555 655 2HZ LYS 106 2HZ LYS 106 4.708 12.726 -7.340 656 3HZ LYS 106 3HZ LYS 106 5.025 11.134 -6.862 657 H VAL 107 H VAL 107 6.227 8.870 -1.880 658 HA VAL 107 HA VAL 107 8.370 6.941 -2.273 659 HB VAL 107 HB VAL 107 7.865 6.805 0.135 660 1HG1 VAL 107 1HG1 VAL 107 5.101 6.115 -0.829 661 2HG1 VAL 107 2HG1 VAL 107 5.578 7.449 0.219 662 3HG1 VAL 107 3HG1 VAL 107 5.680 5.790 0.805 663 1HG2 VAL 107 1HG2 VAL 107 6.806 4.290 -1.072 664 2HG2 VAL 107 2HG2 VAL 107 7.977 4.504 0.229 665 3HG2 VAL 107 3HG2 VAL 107 8.449 4.812 -1.443 666 H THR 108 H THR 108 7.861 5.279 -3.621 667 HA THR 108 HA THR 108 5.141 5.287 -4.756 668 HB THR 108 HB THR 108 6.661 4.013 -6.634 669 HG1 THR 108 1HG THR 108 8.652 4.417 -6.023 670 1HG2 THR 108 1HG2 THR 108 5.325 5.625 -7.525 671 2HG2 THR 108 2HG2 THR 108 6.896 6.417 -7.653 672 3HG2 THR 108 3HG2 THR 108 5.800 6.837 -6.336 673 H LEU 109 H LEU 109 3.999 3.593 -4.057 674 HA LEU 109 HA LEU 109 5.424 1.102 -3.433 675 1HB LEU 109 2HB LEU 109 3.241 0.546 -2.234 676 2HB LEU 109 1HB LEU 109 4.271 1.774 -1.523 677 HG LEU 109 HG LEU 109 2.238 2.830 -3.357 678 1HD1 LEU 109 1HD1 LEU 109 0.805 1.175 -2.510 679 2HD1 LEU 109 2HD1 LEU 109 0.471 2.613 -1.545 680 3HD1 LEU 109 3HD1 LEU 109 1.467 1.317 -0.882 681 1HD2 LEU 109 1HD2 LEU 109 2.086 4.546 -1.748 682 2HD2 LEU 109 2HD2 LEU 109 3.793 4.110 -1.820 683 3HD2 LEU 109 3HD2 LEU 109 2.791 3.535 -0.488 684 H GLU 110 H GLU 110 4.814 -0.849 -4.254 685 HA GLU 110 HA GLU 110 2.966 -0.762 -6.545 686 1HB GLU 110 2HB GLU 110 5.486 -1.575 -6.651 687 2HB GLU 110 1HB GLU 110 4.797 -3.073 -6.038 688 1HG GLU 110 2HG GLU 110 3.228 -3.074 -7.960 689 2HG GLU 110 1HG GLU 110 4.071 -1.661 -8.594 690 H ILE 111 H ILE 111 0.988 -1.307 -5.861 691 HA ILE 111 HA ILE 111 0.719 -3.607 -4.055 692 HB ILE 111 HB ILE 111 -1.630 -2.489 -3.701 693 1HG1 ILE 111 2HG1 ILE 111 -0.153 0.062 -3.860 694 2HG1 ILE 111 1HG1 ILE 111 -0.615 -0.645 -5.409 695 1HG2 ILE 111 1HG2 ILE 111 -0.860 -2.134 -1.636 696 2HG2 ILE 111 2HG2 ILE 111 0.326 -0.953 -2.191 697 3HG2 ILE 111 3HG2 ILE 111 0.701 -2.675 -2.253 698 1HD1 ILE 111 1HD1 ILE 111 -2.297 0.892 -4.678 699 2HD1 ILE 111 2HD1 ILE 111 -2.449 0.046 -3.138 700 3HD1 ILE 111 3HD1 ILE 111 -2.936 -0.751 -4.634 701 H GLU 112 H GLU 112 -0.961 -5.083 -4.375 702 HA GLU 112 HA GLU 112 -2.064 -5.095 -7.107 703 1HB GLU 112 2HB GLU 112 -0.448 -6.946 -6.436 704 2HB GLU 112 1HB GLU 112 -1.698 -7.509 -5.334 705 1HG GLU 112 2HG GLU 112 -3.053 -8.244 -7.019 706 2HG GLU 112 1HG GLU 112 -2.411 -7.090 -8.188 707 H PHE 113 H PHE 113 -4.178 -4.762 -7.240 708 HA PHE 113 HA PHE 113 -5.846 -5.400 -4.896 709 1HB PHE 113 2HB PHE 113 -7.243 -3.538 -5.406 710 2HB PHE 113 1HB PHE 113 -5.585 -2.955 -5.496 711 HD1 PHE 113 1HD PHE 113 -8.695 -3.186 -7.170 712 HD2 PHE 113 2HD PHE 113 -4.502 -2.902 -7.837 713 HE1 PHE 113 1HE PHE 113 -9.117 -2.380 -9.456 714 HE2 PHE 113 2HE PHE 113 -4.916 -2.096 -10.122 715 HZ PHE 113 HZ PHE 113 -7.226 -1.838 -10.935 716 H ASP 114 H ASP 114 -8.141 -5.858 -5.411 717 HA ASP 114 HA ASP 114 -8.522 -7.105 -8.040 718 1HB ASP 114 2HB ASP 114 -9.450 -8.446 -5.504 719 2HB ASP 114 1HB ASP 114 -9.375 -9.120 -7.128 720 H VAL 115 H VAL 115 -10.102 -5.910 -8.884 721 HA VAL 115 HA VAL 115 -12.315 -5.045 -7.164 722 HB VAL 115 HB VAL 115 -12.914 -3.696 -9.315 723 1HG1 VAL 115 1HG1 VAL 115 -11.922 -1.856 -8.371 724 2HG1 VAL 115 2HG1 VAL 115 -10.427 -2.714 -8.002 725 3HG1 VAL 115 3HG1 VAL 115 -11.865 -2.985 -7.018 726 1HG2 VAL 115 1HG2 VAL 115 -9.964 -4.132 -9.776 727 2HG2 VAL 115 2HG2 VAL 115 -11.050 -3.120 -10.726 728 3HG2 VAL 115 3HG2 VAL 115 -11.246 -4.871 -10.734 729 H ALA 116 H ALA 116 -14.492 -5.299 -7.834 730 HA ALA 116 HA ALA 116 -15.010 -7.164 -10.019 731 1HB ALA 116 1HB ALA 116 -16.607 -8.390 -8.385 732 2HB ALA 116 2HB ALA 116 -15.572 -7.704 -7.133 733 3HB ALA 116 3HB ALA 116 -14.887 -8.772 -8.358 734 H GLU 117 H GLU 117 -15.542 -4.486 -10.046 735 HA GLU 117 HA GLU 117 -18.474 -4.415 -9.777 736 1HB GLU 117 2HB GLU 117 -18.206 -1.920 -9.491 737 2HB GLU 117 1HB GLU 117 -17.639 -2.901 -8.147 738 1HG GLU 117 2HG GLU 117 -15.631 -1.995 -8.282 739 2HG GLU 117 1HG GLU 117 -15.484 -2.496 -9.965 740 H SER 118 H SER 118 -17.405 -5.406 -12.061 741 HA SER 118 HA SER 118 -17.170 -3.280 -14.021 742 1HB SER 118 2HB SER 118 -17.211 -5.492 -15.541 743 2HB SER 118 1HB SER 118 -15.756 -4.946 -14.705 744 HG SER 118 HG SER 118 -15.884 -6.598 -13.390 Start of MODEL 17 1 1H GLN 18 1HT GLN 18 -10.529 1.154 -21.956 2 2H GLN 18 2HT GLN 18 -11.778 0.477 -20.993 3 3H GLN 18 3HT GLN 18 -10.274 -0.337 -21.151 4 HA GLN 18 HA GLN 18 -9.159 1.203 -19.896 5 1HB GLN 18 2HB GLN 18 -11.625 2.888 -20.333 6 2HB GLN 18 1HB GLN 18 -10.407 3.294 -19.131 7 1HG GLN 18 2HG GLN 18 -8.933 4.012 -20.668 8 2HG GLN 18 1HG GLN 18 -9.390 2.779 -21.842 9 1HE2 GLN 18 1HE2 GLN 18 -11.068 5.447 -20.201 10 2HE2 GLN 18 2HE2 GLN 18 -11.714 6.155 -21.647 11 H VAL 19 H VAL 19 -10.402 -1.106 -19.208 12 HA VAL 19 HA VAL 19 -11.641 -0.449 -16.616 13 HB VAL 19 HB VAL 19 -12.235 -2.893 -18.290 14 1HG1 VAL 19 1HG1 VAL 19 -14.130 -3.118 -16.644 15 2HG1 VAL 19 2HG1 VAL 19 -13.324 -1.887 -15.671 16 3HG1 VAL 19 3HG1 VAL 19 -12.518 -3.422 -15.996 17 1HG2 VAL 19 1HG2 VAL 19 -14.365 -0.932 -17.758 18 2HG2 VAL 19 2HG2 VAL 19 -14.018 -1.868 -19.212 19 3HG2 VAL 19 3HG2 VAL 19 -13.104 -0.400 -18.869 20 H VAL 20 H VAL 20 -10.938 -1.558 -14.835 21 HA VAL 20 HA VAL 20 -8.341 -2.723 -14.955 22 HB VAL 20 HB VAL 20 -8.974 -1.454 -13.007 23 1HG1 VAL 20 1HG1 VAL 20 -10.951 -1.587 -11.997 24 2HG1 VAL 20 2HG1 VAL 20 -10.788 -3.325 -11.761 25 3HG1 VAL 20 3HG1 VAL 20 -11.439 -2.702 -13.274 26 1HG2 VAL 20 1HG2 VAL 20 -8.343 -2.984 -11.229 27 2HG2 VAL 20 2HG2 VAL 20 -7.381 -3.291 -12.674 28 3HG2 VAL 20 3HG2 VAL 20 -8.715 -4.364 -12.259 29 H HIS 21 H HIS 21 -7.764 -4.876 -14.187 30 HA HIS 21 HA HIS 21 -9.823 -6.910 -14.148 31 1HB HIS 21 2HB HIS 21 -8.269 -6.348 -16.542 32 2HB HIS 21 1HB HIS 21 -8.060 -8.008 -16.001 33 HD1 HIS 21 1HD HIS 21 -9.581 -7.218 -18.623 34 HD2 HIS 21 2HD HIS 21 -11.367 -8.062 -14.967 35 HE1 HIS 21 1HE HIS 21 -11.932 -7.922 -19.169 36 HE2 HIS 21 2HE HIS 21 -12.966 -8.515 -16.949 37 H THR 22 H THR 22 -8.303 -6.298 -12.037 38 HA THR 22 HA THR 22 -6.983 -7.234 -10.441 39 HB THR 22 HB THR 22 -6.080 -9.619 -11.838 40 HG1 THR 22 1HG THR 22 -7.829 -9.915 -12.964 41 1HG2 THR 22 1HG2 THR 22 -6.339 -9.238 -9.341 42 2HG2 THR 22 2HG2 THR 22 -6.904 -10.778 -9.989 43 3HG2 THR 22 3HG2 THR 22 -8.063 -9.508 -9.598 44 H GLU 23 H GLU 23 -5.200 -6.051 -10.265 45 HA GLU 23 HA GLU 23 -2.811 -6.822 -11.608 46 1HB GLU 23 2HB GLU 23 -2.575 -4.568 -12.799 47 2HB GLU 23 1HB GLU 23 -3.660 -5.751 -13.518 48 1HG GLU 23 2HG GLU 23 -5.362 -4.352 -13.398 49 2HG GLU 23 1HG GLU 23 -5.110 -4.119 -11.670 50 H THR 24 H THR 24 -1.036 -5.130 -11.231 51 HA THR 24 HA THR 24 -1.330 -4.167 -8.483 52 HB THR 24 HB THR 24 1.152 -4.048 -8.499 53 HG1 THR 24 1HG THR 24 0.949 -5.275 -11.044 54 1HG2 THR 24 1HG2 THR 24 1.476 -6.235 -8.059 55 2HG2 THR 24 2HG2 THR 24 0.662 -6.768 -9.530 56 3HG2 THR 24 3HG2 THR 24 -0.286 -6.258 -8.133 57 H THR 25 H THR 25 -1.270 -2.056 -7.969 58 HA THR 25 HA THR 25 -0.825 -0.151 -10.170 59 HB THR 25 HB THR 25 -3.063 0.035 -9.340 60 HG1 THR 25 1HG THR 25 -1.578 2.096 -8.098 61 1HG2 THR 25 1HG2 THR 25 -1.916 0.359 -6.584 62 2HG2 THR 25 2HG2 THR 25 -2.797 -1.050 -7.174 63 3HG2 THR 25 3HG2 THR 25 -3.613 0.507 -7.032 64 H GLU 26 H GLU 26 0.669 1.412 -9.995 65 HA GLU 26 HA GLU 26 2.319 1.420 -7.569 66 1HB GLU 26 2HB GLU 26 4.037 2.499 -8.939 67 2HB GLU 26 1HB GLU 26 3.509 0.994 -9.676 68 1HG GLU 26 2HG GLU 26 1.874 3.026 -10.732 69 2HG GLU 26 1HG GLU 26 3.530 3.629 -10.767 70 H VAL 27 H VAL 27 1.331 2.793 -6.187 71 HA VAL 27 HA VAL 27 0.582 5.449 -7.180 72 HB VAL 27 HB VAL 27 -0.318 5.250 -4.548 73 1HG1 VAL 27 1HG1 VAL 27 -1.831 6.308 -5.831 74 2HG1 VAL 27 2HG1 VAL 27 -2.535 4.701 -6.010 75 3HG1 VAL 27 3HG1 VAL 27 -1.455 5.333 -7.252 76 1HG2 VAL 27 1HG2 VAL 27 -1.686 3.175 -4.581 77 2HG2 VAL 27 2HG2 VAL 27 0.047 2.871 -4.472 78 3HG2 VAL 27 3HG2 VAL 27 -0.791 2.654 -6.008 79 H VAL 28 H VAL 28 1.835 7.110 -6.724 80 HA VAL 28 HA VAL 28 3.986 6.808 -4.791 81 HB VAL 28 HB VAL 28 3.492 9.245 -6.482 82 1HG1 VAL 28 1HG1 VAL 28 6.092 9.112 -6.400 83 2HG1 VAL 28 2HG1 VAL 28 5.806 8.070 -5.006 84 3HG1 VAL 28 3HG1 VAL 28 5.199 9.726 -5.008 85 1HG2 VAL 28 1HG2 VAL 28 3.669 7.948 -8.298 86 2HG2 VAL 28 2HG2 VAL 28 4.229 6.560 -7.365 87 3HG2 VAL 28 3HG2 VAL 28 5.373 7.807 -7.862 88 H LEU 29 H LEU 29 3.810 7.503 -2.765 89 HA LEU 29 HA LEU 29 1.847 9.611 -2.177 90 1HB LEU 29 2HB LEU 29 2.705 7.176 -0.690 91 2HB LEU 29 1HB LEU 29 2.223 8.584 0.237 92 HG LEU 29 HG LEU 29 0.030 8.568 -0.877 93 1HD1 LEU 29 1HD1 LEU 29 1.363 6.555 -2.534 94 2HD1 LEU 29 2HD1 LEU 29 0.001 7.614 -2.902 95 3HD1 LEU 29 3HD1 LEU 29 -0.263 6.115 -2.014 96 1HD2 LEU 29 1HD2 LEU 29 -0.531 6.096 -0.017 97 2HD2 LEU 29 2HD2 LEU 29 -0.248 7.453 1.073 98 3HD2 LEU 29 3HD2 LEU 29 1.051 6.311 0.733 99 H THR 30 H THR 30 2.437 11.336 -0.888 100 HA THR 30 HA THR 30 5.334 11.673 -0.537 101 HB THR 30 HB THR 30 3.145 13.760 -0.663 102 HG1 THR 30 1HG THR 30 3.980 14.183 -2.704 103 1HG2 THR 30 1HG2 THR 30 5.980 14.467 -1.091 104 2HG2 THR 30 2HG2 THR 30 5.457 14.191 0.570 105 3HG2 THR 30 3HG2 THR 30 4.657 15.416 -0.413 106 H ALA 31 H ALA 31 6.198 12.347 1.408 107 HA ALA 31 HA ALA 31 4.573 11.779 3.744 108 1HB ALA 31 1HB ALA 31 7.127 11.178 3.189 109 2HB ALA 31 2HB ALA 31 6.504 11.334 4.832 110 3HB ALA 31 3HB ALA 31 7.364 12.680 4.084 111 H ASP 32 H ASP 32 3.178 13.557 3.845 112 HA ASP 32 HA ASP 32 3.985 16.247 3.718 113 1HB ASP 32 2HB ASP 32 1.584 14.870 4.902 114 2HB ASP 32 1HB ASP 32 1.798 16.613 5.041 115 HA PRO 33 HA PRO 33 5.927 16.690 7.684 116 1HB PRO 33 2HB PRO 33 6.127 19.368 7.767 117 2HB PRO 33 1HB PRO 33 7.093 18.396 6.651 118 1HG PRO 33 2HG PRO 33 4.588 19.947 6.128 119 2HG PRO 33 1HG PRO 33 6.058 19.831 5.143 120 1HD PRO 33 2HD PRO 33 3.782 18.400 4.644 121 2HD PRO 33 1HD PRO 33 5.407 17.852 4.190 122 H VAL 34 H VAL 34 3.371 16.006 8.136 123 HA VAL 34 HA VAL 34 2.665 17.666 10.396 124 HB VAL 34 HB VAL 34 0.589 17.182 8.255 125 1HG1 VAL 34 1HG1 VAL 34 -0.326 17.258 10.502 126 2HG1 VAL 34 2HG1 VAL 34 -0.778 18.710 9.611 127 3HG1 VAL 34 3HG1 VAL 34 0.510 18.779 10.813 128 1HG2 VAL 34 1HG2 VAL 34 2.134 18.810 7.410 129 2HG2 VAL 34 2HG2 VAL 34 2.122 19.686 8.940 130 3HG2 VAL 34 3HG2 VAL 34 0.675 19.651 7.933 131 H THR 35 H THR 35 1.028 15.229 8.369 132 HA THR 35 HA THR 35 0.736 13.561 10.778 133 HB THR 35 HB THR 35 -1.405 14.274 9.879 134 HG1 THR 35 1HG THR 35 -0.928 11.564 9.197 135 1HG2 THR 35 1HG2 THR 35 -1.944 13.066 7.569 136 2HG2 THR 35 2HG2 THR 35 -0.240 13.436 7.303 137 3HG2 THR 35 3HG2 THR 35 -1.376 14.733 7.674 138 H GLY 36 H GLY 36 1.814 13.653 7.460 139 1HA GLY 36 2HA GLY 36 3.540 12.247 6.647 140 2HA GLY 36 1HA GLY 36 3.116 11.061 7.872 141 H PHE 37 H PHE 37 2.531 9.259 6.859 142 HA PHE 37 HA PHE 37 0.933 9.450 4.411 143 1HB PHE 37 2HB PHE 37 2.480 7.157 5.629 144 2HB PHE 37 1HB PHE 37 1.470 7.001 4.194 145 HD1 PHE 37 1HD PHE 37 2.262 7.643 2.076 146 HD2 PHE 37 2HD PHE 37 4.456 8.691 5.567 147 HE1 PHE 37 1HE PHE 37 4.147 8.363 0.670 148 HE2 PHE 37 2HE PHE 37 6.347 9.411 4.166 149 HZ PHE 37 HZ PHE 37 6.194 9.250 1.713 150 H GLY 38 H GLY 38 0.730 8.542 7.737 151 1HA GLY 38 2HA GLY 38 -0.986 7.722 9.019 152 2HA GLY 38 1HA GLY 38 -2.039 8.460 7.822 153 H ILE 39 H ILE 39 0.221 5.838 7.184 154 HA ILE 39 HA ILE 39 -2.045 3.980 6.954 155 HB ILE 39 HB ILE 39 -1.567 4.734 4.701 156 1HG1 ILE 39 2HG1 ILE 39 -0.239 2.093 4.589 157 2HG1 ILE 39 1HG1 ILE 39 -1.767 2.139 5.472 158 1HG2 ILE 39 1HG2 ILE 39 1.237 3.699 5.014 159 2HG2 ILE 39 2HG2 ILE 39 0.804 5.396 5.227 160 3HG2 ILE 39 3HG2 ILE 39 0.555 4.612 3.667 161 1HD1 ILE 39 1HD1 ILE 39 -2.979 2.446 3.604 162 2HD1 ILE 39 2HD1 ILE 39 -1.572 1.713 2.833 163 3HD1 ILE 39 3HD1 ILE 39 -1.758 3.467 2.843 164 H GLN 40 H GLN 40 -1.609 1.849 7.457 165 HA GLN 40 HA GLN 40 1.135 1.179 8.249 166 1HB GLN 40 2HB GLN 40 -1.080 1.597 10.026 167 2HB GLN 40 1HB GLN 40 -0.587 -0.089 10.101 168 1HG GLN 40 2HG GLN 40 1.013 0.517 11.498 169 2HG GLN 40 1HG GLN 40 1.790 1.358 10.158 170 1HE2 GLN 40 1HE2 GLN 40 0.691 3.570 9.714 171 2HE2 GLN 40 2HE2 GLN 40 0.455 4.561 11.118 172 H LEU 41 H LEU 41 1.664 -1.016 8.171 173 HA LEU 41 HA LEU 41 -0.179 -2.628 6.548 174 1HB LEU 41 2HB LEU 41 2.802 -2.573 6.852 175 2HB LEU 41 1HB LEU 41 2.011 -4.021 6.264 176 HG LEU 41 HG LEU 41 2.914 -2.469 4.496 177 1HD1 LEU 41 1HD1 LEU 41 0.059 -3.361 4.589 178 2HD1 LEU 41 2HD1 LEU 41 1.420 -4.064 3.716 179 3HD1 LEU 41 3HD1 LEU 41 0.711 -2.546 3.169 180 1HD2 LEU 41 1HD2 LEU 41 1.575 -0.503 3.936 181 2HD2 LEU 41 2HD2 LEU 41 2.290 -0.356 5.541 182 3HD2 LEU 41 3HD2 LEU 41 0.583 -0.766 5.370 183 H GLN 42 H GLN 42 -0.317 -4.930 6.989 184 HA GLN 42 HA GLN 42 0.687 -6.119 9.334 185 1HB GLN 42 2HB GLN 42 -1.083 -4.388 10.166 186 2HB GLN 42 1HB GLN 42 -2.249 -5.576 9.605 187 1HG GLN 42 2HG GLN 42 -0.296 -6.924 11.161 188 2HG GLN 42 1HG GLN 42 -0.832 -5.502 12.053 189 1HE2 GLN 42 1HE2 GLN 42 -2.642 -7.522 9.794 190 2HE2 GLN 42 2HE2 GLN 42 -3.834 -8.043 10.937 191 H GLY 43 H GLY 43 -0.215 -8.279 9.710 192 1HA GLY 43 2HA GLY 43 -1.429 -10.180 9.052 193 2HA GLY 43 1HA GLY 43 -1.966 -9.316 7.620 194 H SER 44 H SER 44 1.364 -9.669 8.730 195 HA SER 44 HA SER 44 2.152 -10.638 6.137 196 1HB SER 44 2HB SER 44 4.448 -10.742 7.253 197 2HB SER 44 1HB SER 44 3.694 -9.150 7.163 198 HG SER 44 HG SER 44 4.602 -10.267 9.297 199 H VAL 45 H VAL 45 4.015 -12.474 6.395 200 HA VAL 45 HA VAL 45 2.554 -14.853 6.966 201 HB VAL 45 HB VAL 45 5.501 -14.610 6.366 202 1HG1 VAL 45 1HG1 VAL 45 3.546 -16.892 6.246 203 2HG1 VAL 45 2HG1 VAL 45 5.048 -16.786 7.162 204 3HG1 VAL 45 3HG1 VAL 45 5.096 -16.918 5.405 205 1HG2 VAL 45 1HG2 VAL 45 5.047 -14.636 4.088 206 2HG2 VAL 45 2HG2 VAL 45 3.816 -13.543 4.720 207 3HG2 VAL 45 3HG2 VAL 45 3.395 -15.209 4.322 208 H PHE 46 H PHE 46 4.276 -12.793 8.961 209 HA PHE 46 HA PHE 46 4.486 -14.892 10.999 210 1HB PHE 46 2HB PHE 46 6.700 -13.677 9.768 211 2HB PHE 46 1HB PHE 46 6.572 -12.917 11.351 212 HD1 PHE 46 1HD PHE 46 8.247 -15.357 9.727 213 HD2 PHE 46 2HD PHE 46 5.829 -14.876 13.195 214 HE1 PHE 46 1HE PHE 46 9.327 -17.318 10.747 215 HE2 PHE 46 2HE PHE 46 6.904 -16.836 14.223 216 HZ PHE 46 HZ PHE 46 8.656 -18.061 12.998 217 H ALA 47 H ALA 47 2.313 -13.393 10.961 218 HA ALA 47 HA ALA 47 2.628 -10.977 12.510 219 1HB ALA 47 1HB ALA 47 0.107 -12.438 11.733 220 2HB ALA 47 2HB ALA 47 0.885 -11.169 10.786 221 3HB ALA 47 3HB ALA 47 0.214 -10.799 12.375 222 H THR 48 H THR 48 1.610 -10.635 14.582 223 HA THR 48 HA THR 48 2.273 -12.559 16.477 224 HB THR 48 HB THR 48 2.149 -10.206 17.049 225 HG1 THR 48 1HG THR 48 0.150 -11.608 18.487 226 1HG2 THR 48 1HG2 THR 48 0.186 -8.942 17.177 227 2HG2 THR 48 2HG2 THR 48 -0.841 -10.355 16.934 228 3HG2 THR 48 3HG2 THR 48 0.130 -9.730 15.600 229 H GLU 49 H GLU 49 -0.501 -12.278 14.531 230 HA GLU 49 HA GLU 49 -2.017 -14.096 16.270 231 1HB GLU 49 2HB GLU 49 -3.971 -13.473 14.856 232 2HB GLU 49 1HB GLU 49 -3.263 -12.117 15.721 233 1HG GLU 49 2HG GLU 49 -2.094 -11.434 13.684 234 2HG GLU 49 1HG GLU 49 -2.821 -12.786 12.819 235 H THR 50 H THR 50 0.232 -14.793 14.412 236 HA THR 50 HA THR 50 0.783 -16.492 13.009 237 HB THR 50 HB THR 50 -2.002 -17.514 13.501 238 HG1 THR 50 1HG THR 50 -0.780 -17.074 15.442 239 1HG2 THR 50 1HG2 THR 50 0.197 -19.416 13.324 240 2HG2 THR 50 2HG2 THR 50 -0.128 -18.547 11.824 241 3HG2 THR 50 3HG2 THR 50 -1.413 -19.466 12.607 242 H LEU 51 H LEU 51 0.694 -17.039 10.831 243 HA LEU 51 HA LEU 51 -1.536 -16.534 9.162 244 1HB LEU 51 2HB LEU 51 0.141 -14.282 9.754 245 2HB LEU 51 1HB LEU 51 0.296 -14.687 8.054 246 HG LEU 51 HG LEU 51 -2.473 -14.593 9.059 247 1HD1 LEU 51 1HD1 LEU 51 -2.070 -12.695 10.234 248 2HD1 LEU 51 2HD1 LEU 51 -2.225 -11.979 8.631 249 3HD1 LEU 51 3HD1 LEU 51 -0.626 -12.294 9.306 250 1HD2 LEU 51 1HD2 LEU 51 -2.475 -14.802 6.801 251 2HD2 LEU 51 2HD2 LEU 51 -0.939 -13.959 6.610 252 3HD2 LEU 51 3HD2 LEU 51 -2.417 -13.042 6.893 253 H SER 52 H SER 52 -0.609 -16.310 6.734 254 HA SER 52 HA SER 52 1.812 -17.846 6.343 255 1HB SER 52 2HB SER 52 -0.830 -19.053 6.253 256 2HB SER 52 1HB SER 52 0.047 -19.260 4.738 257 HG SER 52 HG SER 52 1.513 -20.468 5.727 258 H SER 53 H SER 53 0.589 -15.233 5.621 259 HA SER 53 HA SER 53 1.237 -15.339 2.774 260 1HB SER 53 2HB SER 53 -1.374 -15.266 3.484 261 2HB SER 53 1HB SER 53 -1.015 -13.539 3.455 262 HG SER 53 HG SER 53 -1.718 -14.414 1.413 263 HA PRO 54 HA PRO 54 3.573 -11.660 3.347 264 1HB PRO 54 2HB PRO 54 2.061 -10.378 1.135 265 2HB PRO 54 1HB PRO 54 3.800 -10.646 1.302 266 1HG PRO 54 2HG PRO 54 2.345 -12.117 -0.379 267 2HG PRO 54 1HG PRO 54 3.672 -12.834 0.557 268 1HD PRO 54 2HD PRO 54 0.721 -13.013 1.000 269 2HD PRO 54 1HD PRO 54 1.972 -14.256 1.214 270 HA PRO 55 HA PRO 55 1.318 -8.571 5.553 271 1HB PRO 55 2HB PRO 55 2.451 -6.213 4.837 272 2HB PRO 55 1HB PRO 55 3.270 -7.398 5.861 273 1HG PRO 55 2HG PRO 55 3.582 -6.891 2.928 274 2HG PRO 55 1HG PRO 55 4.830 -7.194 4.150 275 1HD PRO 55 2HD PRO 55 3.946 -9.112 2.455 276 2HD PRO 55 1HD PRO 55 4.501 -9.473 4.102 277 H LEU 56 H LEU 56 -0.382 -7.101 5.457 278 HA LEU 56 HA LEU 56 -1.240 -6.228 2.785 279 1HB LEU 56 2HB LEU 56 -3.125 -7.345 4.857 280 2HB LEU 56 1HB LEU 56 -3.508 -6.881 3.210 281 HG LEU 56 HG LEU 56 -1.799 -8.750 2.570 282 1HD1 LEU 56 1HD1 LEU 56 -0.911 -9.304 4.690 283 2HD1 LEU 56 2HD1 LEU 56 -1.976 -10.636 4.242 284 3HD1 LEU 56 3HD1 LEU 56 -2.516 -9.431 5.409 285 1HD2 LEU 56 1HD2 LEU 56 -3.670 -10.432 2.733 286 2HD2 LEU 56 2HD2 LEU 56 -4.068 -8.916 1.922 287 3HD2 LEU 56 3HD2 LEU 56 -4.594 -9.194 3.582 288 H ILE 57 H ILE 57 -2.082 -4.206 2.684 289 HA ILE 57 HA ILE 57 -1.658 -2.402 4.801 290 HB ILE 57 HB ILE 57 -3.469 -2.045 2.407 291 1HG1 ILE 57 2HG1 ILE 57 -0.645 -1.041 2.628 292 2HG1 ILE 57 1HG1 ILE 57 -0.975 -2.673 2.055 293 1HG2 ILE 57 1HG2 ILE 57 -2.171 -0.029 4.236 294 2HG2 ILE 57 2HG2 ILE 57 -3.895 -0.381 4.110 295 3HG2 ILE 57 3HG2 ILE 57 -3.045 0.361 2.754 296 1HD1 ILE 57 1HD1 ILE 57 -1.875 -1.947 0.095 297 2HD1 ILE 57 2HD1 ILE 57 -0.726 -0.644 0.401 298 3HD1 ILE 57 3HD1 ILE 57 -2.434 -0.423 0.785 299 H SER 58 H SER 58 -2.798 -2.183 6.626 300 HA SER 58 HA SER 58 -5.707 -2.493 6.505 301 1HB SER 58 2HB SER 58 -5.731 -3.860 8.536 302 2HB SER 58 1HB SER 58 -4.802 -4.653 7.265 303 HG SER 58 HG SER 58 -3.962 -4.305 9.624 304 H TYR 59 H TYR 59 -4.483 -0.059 6.565 305 HA TYR 59 HA TYR 59 -5.656 1.126 8.828 306 1HB TYR 59 2HB TYR 59 -3.713 0.197 10.008 307 2HB TYR 59 1HB TYR 59 -2.633 1.035 8.899 308 HD1 TYR 59 1HD TYR 59 -2.451 3.500 8.975 309 HD2 TYR 59 2HD TYR 59 -4.776 1.352 11.817 310 HE1 TYR 59 1HE TYR 59 -2.486 5.479 10.432 311 HE2 TYR 59 2HE TYR 59 -4.817 3.325 13.283 312 HH TYR 59 HH TYR 59 -4.569 5.970 12.816 313 H ILE 60 H ILE 60 -6.179 3.129 8.327 314 HA ILE 60 HA ILE 60 -4.451 4.760 6.653 315 HB ILE 60 HB ILE 60 -7.246 4.939 5.769 316 1HG1 ILE 60 2HG1 ILE 60 -5.617 2.517 4.961 317 2HG1 ILE 60 1HG1 ILE 60 -6.992 2.466 6.061 318 1HG2 ILE 60 1HG2 ILE 60 -4.699 4.605 4.195 319 2HG2 ILE 60 2HG2 ILE 60 -5.273 6.150 4.820 320 3HG2 ILE 60 3HG2 ILE 60 -6.234 5.269 3.633 321 1HD1 ILE 60 1HD1 ILE 60 -8.513 2.885 4.382 322 2HD1 ILE 60 2HD1 ILE 60 -7.321 1.868 3.571 323 3HD1 ILE 60 3HD1 ILE 60 -7.305 3.615 3.325 324 H GLU 61 H GLU 61 -4.939 7.027 6.792 325 HA GLU 61 HA GLU 61 -6.405 7.664 9.245 326 1HB GLU 61 2HB GLU 61 -3.989 8.628 8.031 327 2HB GLU 61 1HB GLU 61 -5.103 9.967 8.258 328 1HG GLU 61 2HG GLU 61 -4.575 8.059 10.492 329 2HG GLU 61 1HG GLU 61 -3.435 9.353 10.133 330 H ALA 62 H ALA 62 -7.776 9.502 9.357 331 HA ALA 62 HA ALA 62 -9.400 9.791 6.966 332 1HB ALA 62 1HB ALA 62 -9.811 10.738 9.798 333 2HB ALA 62 2HB ALA 62 -10.561 9.342 9.027 334 3HB ALA 62 3HB ALA 62 -10.966 10.970 8.486 335 H ASP 63 H ASP 63 -6.915 10.945 6.700 336 HA ASP 63 HA ASP 63 -7.380 13.389 5.598 337 1HB ASP 63 2HB ASP 63 -6.262 14.905 7.349 338 2HB ASP 63 1HB ASP 63 -7.938 14.449 7.626 339 H SER 64 H SER 64 -5.738 11.017 5.356 340 HA SER 64 HA SER 64 -3.085 12.287 5.213 341 1HB SER 64 2HB SER 64 -3.900 9.655 6.286 342 2HB SER 64 1HB SER 64 -2.456 9.651 5.274 343 HG SER 64 HG SER 64 -1.407 10.549 6.848 344 HA PRO 65 HA PRO 65 -2.939 11.692 0.860 345 1HB PRO 65 2HB PRO 65 -0.424 10.445 0.692 346 2HB PRO 65 1HB PRO 65 -0.744 12.180 0.609 347 1HG PRO 65 2HG PRO 65 0.144 10.523 2.919 348 2HG PRO 65 1HG PRO 65 0.569 12.193 2.500 349 1HD PRO 65 2HD PRO 65 -1.152 11.655 4.476 350 2HD PRO 65 1HD PRO 65 -1.399 13.046 3.400 351 H ALA 66 H ALA 66 -2.085 8.972 2.933 352 HA ALA 66 HA ALA 66 -2.193 6.924 1.032 353 1HB ALA 66 1HB ALA 66 -3.020 6.677 3.917 354 2HB ALA 66 2HB ALA 66 -1.342 6.727 3.377 355 3HB ALA 66 3HB ALA 66 -2.394 5.408 2.864 356 H GLU 67 H GLU 67 -4.745 8.206 3.148 357 HA GLU 67 HA GLU 67 -6.765 6.529 1.982 358 1HB GLU 67 2HB GLU 67 -7.140 7.067 4.238 359 2HB GLU 67 1HB GLU 67 -6.770 8.765 3.991 360 1HG GLU 67 2HG GLU 67 -9.170 8.266 4.392 361 2HG GLU 67 1HG GLU 67 -8.841 9.144 2.899 362 H ARG 68 H ARG 68 -5.770 9.904 1.702 363 HA ARG 68 HA ARG 68 -7.920 10.666 -0.007 364 1HB ARG 68 2HB ARG 68 -5.317 11.924 0.791 365 2HB ARG 68 1HB ARG 68 -6.287 12.630 -0.496 366 1HG ARG 68 2HG ARG 68 -7.259 13.776 1.156 367 2HG ARG 68 1HG ARG 68 -8.155 12.284 1.446 368 1HD ARG 68 2HD ARG 68 -5.511 12.430 2.722 369 2HD ARG 68 1HD ARG 68 -6.692 13.593 3.319 370 HE ARG 68 HE ARG 68 -6.656 10.794 3.827 371 1HH1 ARG 68 1HH1 ARG 68 -8.827 13.474 3.273 372 2HH1 ARG 68 2HH1 ARG 68 -10.111 12.791 4.213 373 1HH2 ARG 68 1HH2 ARG 68 -8.339 9.906 5.078 374 2HH2 ARG 68 2HH2 ARG 68 -9.835 10.763 5.234 375 H CYS 69 H CYS 69 -5.225 8.748 -0.563 376 HA CYS 69 HA CYS 69 -4.272 9.498 -3.044 377 1HB CYS 69 2HB CYS 69 -3.744 7.447 -1.397 378 2HB CYS 69 1HB CYS 69 -4.704 6.594 -2.601 379 HG CYS 69 HG CYS 69 -2.344 8.216 -3.709 380 H GLY 70 H GLY 70 -7.350 8.141 -2.209 381 1HA GLY 70 2HA GLY 70 -9.246 7.858 -3.482 382 2HA GLY 70 1HA GLY 70 -8.401 8.651 -4.805 383 H VAL 71 H VAL 71 -7.055 5.841 -3.266 384 HA VAL 71 HA VAL 71 -8.184 3.887 -4.981 385 HB VAL 71 HB VAL 71 -6.826 5.062 -6.662 386 1HG1 VAL 71 1HG1 VAL 71 -5.079 5.779 -4.959 387 2HG1 VAL 71 2HG1 VAL 71 -4.488 5.270 -6.541 388 3HG1 VAL 71 3HG1 VAL 71 -4.379 4.174 -5.165 389 1HG2 VAL 71 1HG2 VAL 71 -7.024 2.378 -6.277 390 2HG2 VAL 71 2HG2 VAL 71 -5.277 2.587 -6.404 391 3HG2 VAL 71 3HG2 VAL 71 -6.328 3.139 -7.708 392 H LEU 72 H LEU 72 -7.547 4.257 -2.190 393 HA LEU 72 HA LEU 72 -5.841 1.894 -1.805 394 1HB LEU 72 2HB LEU 72 -5.538 4.592 -0.675 395 2HB LEU 72 1HB LEU 72 -5.444 3.298 0.504 396 HG LEU 72 HG LEU 72 -3.797 3.113 -1.982 397 1HD1 LEU 72 1HD1 LEU 72 -2.031 4.402 -1.018 398 2HD1 LEU 72 2HD1 LEU 72 -2.955 4.657 0.462 399 3HD1 LEU 72 3HD1 LEU 72 -3.484 5.402 -1.047 400 1HD2 LEU 72 1HD2 LEU 72 -4.137 1.434 0.088 401 2HD2 LEU 72 2HD2 LEU 72 -2.792 2.398 0.699 402 3HD2 LEU 72 3HD2 LEU 72 -2.641 1.545 -0.839 403 H GLN 73 H GLN 73 -6.325 0.628 0.054 404 HA GLN 73 HA GLN 73 -8.479 1.233 1.800 405 1HB GLN 73 2HB GLN 73 -9.370 0.416 -0.648 406 2HB GLN 73 1HB GLN 73 -9.280 -1.114 0.213 407 1HG GLN 73 2HG GLN 73 -11.406 -0.506 0.727 408 2HG GLN 73 1HG GLN 73 -10.551 0.246 2.074 409 1HE2 GLN 73 1HE2 GLN 73 -12.125 1.797 2.386 410 2HE2 GLN 73 2HE2 GLN 73 -12.367 3.114 1.285 411 H ILE 74 H ILE 74 -8.994 -0.587 3.248 412 HA ILE 74 HA ILE 74 -6.618 -1.947 4.028 413 HB ILE 74 HB ILE 74 -9.456 -2.233 5.025 414 1HG1 ILE 74 2HG1 ILE 74 -7.074 -0.710 6.104 415 2HG1 ILE 74 1HG1 ILE 74 -8.505 -0.003 5.362 416 1HG2 ILE 74 1HG2 ILE 74 -7.033 -3.730 5.649 417 2HG2 ILE 74 2HG2 ILE 74 -8.718 -4.094 6.020 418 3HG2 ILE 74 3HG2 ILE 74 -7.797 -3.017 7.070 419 1HD1 ILE 74 1HD1 ILE 74 -8.046 -0.666 8.081 420 2HD1 ILE 74 2HD1 ILE 74 -9.380 -1.652 7.480 421 3HD1 ILE 74 3HD1 ILE 74 -9.453 0.106 7.351 422 H GLY 75 H GLY 75 -5.848 -3.744 3.156 423 1HA GLY 75 2HA GLY 75 -6.501 -6.198 2.989 424 2HA GLY 75 1HA GLY 75 -7.740 -5.619 1.886 425 H ASP 76 H ASP 76 -5.714 -3.551 0.911 426 HA ASP 76 HA ASP 76 -4.907 -4.817 -1.411 427 1HB ASP 76 2HB ASP 76 -4.022 -2.341 0.009 428 2HB ASP 76 1HB ASP 76 -3.072 -2.912 -1.359 429 H ARG 77 H ARG 77 -3.169 -6.002 -2.047 430 HA ARG 77 HA ARG 77 -1.383 -6.911 0.088 431 1HB ARG 77 2HB ARG 77 -2.281 -8.035 -2.525 432 2HB ARG 77 1HB ARG 77 -0.717 -8.536 -1.897 433 1HG ARG 77 2HG ARG 77 -2.065 -10.158 -1.024 434 2HG ARG 77 1HG ARG 77 -2.084 -8.983 0.292 435 1HD ARG 77 2HD ARG 77 -4.254 -8.426 -0.054 436 2HD ARG 77 1HD ARG 77 -4.144 -8.648 -1.799 437 HE ARG 77 HE ARG 77 -3.995 -11.111 -0.339 438 1HH1 ARG 77 1HH1 ARG 77 -6.167 -8.740 -1.697 439 2HH1 ARG 77 2HH1 ARG 77 -7.485 -9.852 -1.852 440 1HH2 ARG 77 1HH2 ARG 77 -5.728 -12.575 -0.543 441 2HH2 ARG 77 2HH2 ARG 77 -7.236 -12.030 -1.196 442 H VAL 78 H VAL 78 -0.089 -4.976 0.118 443 HA VAL 78 HA VAL 78 1.295 -4.069 -2.184 444 HB VAL 78 HB VAL 78 0.929 -2.679 -0.125 445 1HG1 VAL 78 1HG1 VAL 78 3.361 -3.963 1.039 446 2HG1 VAL 78 2HG1 VAL 78 1.763 -4.636 1.368 447 3HG1 VAL 78 3HG1 VAL 78 2.131 -2.972 1.824 448 1HG2 VAL 78 1HG2 VAL 78 3.846 -2.756 -0.722 449 2HG2 VAL 78 2HG2 VAL 78 2.768 -1.370 -0.556 450 3HG2 VAL 78 3HG2 VAL 78 2.701 -2.372 -2.004 451 H MET 79 H MET 79 3.617 -4.114 -2.513 452 HA MET 79 HA MET 79 5.114 -6.232 -1.244 453 1HB MET 79 2HB MET 79 5.726 -6.946 -3.757 454 2HB MET 79 1HB MET 79 4.453 -7.724 -2.830 455 1HG MET 79 2HG MET 79 2.809 -6.882 -4.117 456 2HG MET 79 1HG MET 79 3.648 -5.354 -4.379 457 1HE MET 79 1HE MET 79 4.319 -9.344 -6.320 458 2HE MET 79 2HE MET 79 4.529 -8.908 -4.625 459 3HE MET 79 3HE MET 79 5.870 -8.721 -5.755 460 H ALA 80 H ALA 80 5.569 -4.751 -4.427 461 HA ALA 80 HA ALA 80 8.210 -3.884 -3.733 462 1HB ALA 80 1HB ALA 80 7.900 -4.612 -5.957 463 2HB ALA 80 2HB ALA 80 8.146 -2.867 -6.042 464 3HB ALA 80 3HB ALA 80 6.521 -3.539 -6.195 465 H ILE 81 H ILE 81 8.280 -2.291 -2.238 466 HA ILE 81 HA ILE 81 6.867 0.214 -2.896 467 HB ILE 81 HB ILE 81 7.670 -0.698 -0.131 468 1HG1 ILE 81 2HG1 ILE 81 4.989 -0.748 -1.526 469 2HG1 ILE 81 1HG1 ILE 81 5.888 -2.125 -0.892 470 1HG2 ILE 81 1HG2 ILE 81 6.000 1.636 -1.055 471 2HG2 ILE 81 2HG2 ILE 81 7.635 1.721 -0.399 472 3HG2 ILE 81 3HG2 ILE 81 6.300 1.189 0.624 473 1HD1 ILE 81 1HD1 ILE 81 4.071 -0.287 0.452 474 2HD1 ILE 81 2HD1 ILE 81 5.578 -0.556 1.327 475 3HD1 ILE 81 3HD1 ILE 81 4.560 -1.925 0.885 476 H ASN 82 H ASN 82 8.132 1.895 -3.328 477 HA ASN 82 HA ASN 82 9.996 3.132 -3.709 478 1HB ASN 82 2HB ASN 82 11.182 3.818 -1.806 479 2HB ASN 82 1HB ASN 82 9.612 3.333 -1.175 480 1HD2 ASN 82 1HD2 ASN 82 9.495 1.732 0.288 481 2HD2 ASN 82 2HD2 ASN 82 10.863 0.857 0.893 482 H GLY 83 H GLY 83 10.071 0.218 -4.394 483 1HA GLY 83 2HA GLY 83 11.811 -0.689 -5.777 484 2HA GLY 83 1HA GLY 83 12.991 0.059 -4.713 485 H ILE 84 H ILE 84 11.876 -0.795 -2.242 486 HA ILE 84 HA ILE 84 12.897 -3.500 -2.200 487 HB ILE 84 HB ILE 84 11.747 -1.953 0.113 488 1HG1 ILE 84 2HG1 ILE 84 13.578 -0.743 -1.224 489 2HG1 ILE 84 1HG1 ILE 84 13.824 -0.929 0.509 490 1HG2 ILE 84 1HG2 ILE 84 13.765 -3.438 1.111 491 2HG2 ILE 84 2HG2 ILE 84 13.226 -4.475 -0.210 492 3HG2 ILE 84 3HG2 ILE 84 12.086 -3.974 1.039 493 1HD1 ILE 84 1HD1 ILE 84 14.942 -3.135 -1.000 494 2HD1 ILE 84 2HD1 ILE 84 15.694 -2.086 0.202 495 3HD1 ILE 84 3HD1 ILE 84 15.609 -1.576 -1.484 496 HA PRO 85 HA PRO 85 8.625 -4.962 -2.212 497 1HB PRO 85 2HB PRO 85 9.017 -7.208 -3.581 498 2HB PRO 85 1HB PRO 85 9.083 -5.631 -4.377 499 1HG PRO 85 2HG PRO 85 11.293 -7.470 -3.648 500 2HG PRO 85 1HG PRO 85 11.197 -6.293 -4.968 501 1HD PRO 85 2HD PRO 85 12.459 -5.971 -2.419 502 2HD PRO 85 1HD PRO 85 12.295 -4.765 -3.707 503 H THR 86 H THR 86 7.788 -5.863 -0.437 504 HA THR 86 HA THR 86 9.359 -7.757 1.113 505 HB THR 86 HB THR 86 7.922 -7.324 2.904 506 HG1 THR 86 1HG THR 86 5.945 -7.735 1.993 507 1HG2 THR 86 1HG2 THR 86 8.868 -5.104 1.507 508 2HG2 THR 86 2HG2 THR 86 8.379 -5.185 3.200 509 3HG2 THR 86 3HG2 THR 86 7.211 -4.711 1.968 510 H GLU 87 H GLU 87 9.289 -9.791 0.386 511 HA GLU 87 HA GLU 87 6.645 -11.007 -0.008 512 1HB GLU 87 2HB GLU 87 7.798 -10.471 -2.202 513 2HB GLU 87 1HB GLU 87 9.021 -11.650 -1.753 514 1HG GLU 87 2HG GLU 87 6.917 -13.203 -1.437 515 2HG GLU 87 1HG GLU 87 6.197 -12.057 -2.568 516 H ASP 88 H ASP 88 8.253 -11.073 2.316 517 HA ASP 88 HA ASP 88 8.250 -13.815 2.891 518 1HB ASP 88 2HB ASP 88 10.725 -12.788 1.734 519 2HB ASP 88 1HB ASP 88 10.977 -13.524 3.314 520 H SER 89 H SER 89 9.718 -10.691 3.636 521 HA SER 89 HA SER 89 10.151 -11.195 6.389 522 1HB SER 89 2HB SER 89 9.638 -8.437 5.318 523 2HB SER 89 1HB SER 89 10.785 -8.957 6.555 524 HG SER 89 HG SER 89 12.078 -9.827 4.961 525 H THR 90 H THR 90 9.042 -9.381 7.928 526 HA THR 90 HA THR 90 6.222 -10.121 7.923 527 HB THR 90 HB THR 90 6.262 -9.077 10.224 528 HG1 THR 90 1HG THR 90 8.364 -8.717 11.082 529 1HG2 THR 90 1HG2 THR 90 8.461 -11.043 10.269 530 2HG2 THR 90 2HG2 THR 90 6.932 -11.564 9.562 531 3HG2 THR 90 3HG2 THR 90 6.978 -10.967 11.221 532 H PHE 91 H PHE 91 4.747 -8.309 8.889 533 HA PHE 91 HA PHE 91 4.510 -6.301 6.951 534 1HB PHE 91 2HB PHE 91 2.786 -5.334 8.433 535 2HB PHE 91 1HB PHE 91 2.592 -7.072 8.234 536 HD1 PHE 91 1HD PHE 91 2.333 -8.406 10.096 537 HD2 PHE 91 2HD PHE 91 4.115 -4.567 10.526 538 HE1 PHE 91 1HE PHE 91 2.337 -8.687 12.540 539 HE2 PHE 91 2HE PHE 91 4.125 -4.840 12.972 540 HZ PHE 91 HZ PHE 91 3.236 -6.903 13.982 541 H GLU 92 H GLU 92 6.305 -6.413 9.911 542 HA GLU 92 HA GLU 92 6.565 -3.711 10.519 543 1HB GLU 92 2HB GLU 92 7.402 -5.691 11.861 544 2HB GLU 92 1HB GLU 92 8.782 -5.743 10.774 545 1HG GLU 92 2HG GLU 92 9.796 -4.060 11.812 546 2HG GLU 92 1HG GLU 92 8.323 -3.091 11.861 547 H GLU 93 H GLU 93 8.310 -5.694 8.178 548 HA GLU 93 HA GLU 93 10.290 -3.845 7.469 549 1HB GLU 93 2HB GLU 93 9.100 -6.267 6.252 550 2HB GLU 93 1HB GLU 93 9.911 -5.171 5.141 551 1HG GLU 93 2HG GLU 93 11.158 -6.324 7.625 552 2HG GLU 93 1HG GLU 93 11.363 -6.973 5.999 553 H ALA 94 H ALA 94 7.051 -4.398 6.127 554 HA ALA 94 HA ALA 94 7.145 -2.535 4.052 555 1HB ALA 94 1HB ALA 94 5.324 -4.311 4.793 556 2HB ALA 94 2HB ALA 94 4.913 -2.921 3.789 557 3HB ALA 94 3HB ALA 94 4.588 -2.884 5.522 558 H ASN 95 H ASN 95 6.165 -2.138 7.439 559 HA ASN 95 HA ASN 95 5.329 0.520 7.319 560 1HB ASN 95 2HB ASN 95 6.641 -1.003 9.580 561 2HB ASN 95 1HB ASN 95 5.908 0.588 9.761 562 1HD2 ASN 95 1HD2 ASN 95 5.220 -1.953 11.016 563 2HD2 ASN 95 2HD2 ASN 95 3.558 -2.245 10.619 564 H GLN 96 H GLN 96 8.539 -0.874 7.750 565 HA GLN 96 HA GLN 96 9.926 1.504 8.253 566 1HB GLN 96 2HB GLN 96 10.944 -0.629 8.725 567 2HB GLN 96 1HB GLN 96 10.815 -1.116 7.042 568 1HG GLN 96 2HG GLN 96 13.040 -0.559 7.264 569 2HG GLN 96 1HG GLN 96 12.336 0.897 6.562 570 1HE2 GLN 96 1HE2 GLN 96 14.127 2.070 7.373 571 2HE2 GLN 96 2HE2 GLN 96 14.205 2.528 9.043 572 H LEU 97 H LEU 97 8.952 -0.111 5.294 573 HA LEU 97 HA LEU 97 10.487 1.356 3.463 574 1HB LEU 97 2HB LEU 97 7.721 0.237 3.013 575 2HB LEU 97 1HB LEU 97 8.909 0.613 1.783 576 HG LEU 97 HG LEU 97 8.975 -1.636 3.780 577 1HD1 LEU 97 1HD1 LEU 97 9.179 -1.670 0.778 578 2HD1 LEU 97 2HD1 LEU 97 7.673 -1.890 1.669 579 3HD1 LEU 97 3HD1 LEU 97 8.988 -3.049 1.860 580 1HD2 LEU 97 1HD2 LEU 97 11.177 -0.869 1.872 581 2HD2 LEU 97 2HD2 LEU 97 11.176 -2.206 3.022 582 3HD2 LEU 97 3HD2 LEU 97 11.203 -0.542 3.606 583 H LEU 98 H LEU 98 7.192 1.901 4.675 584 HA LEU 98 HA LEU 98 6.855 4.338 3.214 585 1HB LEU 98 2HB LEU 98 5.259 3.549 5.632 586 2HB LEU 98 1HB LEU 98 4.751 4.508 4.254 587 HG LEU 98 HG LEU 98 5.259 1.532 4.280 588 1HD1 LEU 98 1HD1 LEU 98 3.154 2.313 5.335 589 2HD1 LEU 98 2HD1 LEU 98 2.900 1.323 3.898 590 3HD1 LEU 98 3HD1 LEU 98 2.713 3.073 3.807 591 1HD2 LEU 98 1HD2 LEU 98 4.442 1.600 1.949 592 2HD2 LEU 98 2HD2 LEU 98 5.981 2.436 2.163 593 3HD2 LEU 98 3HD2 LEU 98 4.487 3.363 2.011 594 H ARG 99 H ARG 99 8.186 3.491 6.298 595 HA ARG 99 HA ARG 99 7.938 6.070 7.497 596 1HB ARG 99 2HB ARG 99 8.798 3.495 8.299 597 2HB ARG 99 1HB ARG 99 10.141 4.592 8.590 598 1HG ARG 99 2HG ARG 99 9.092 5.639 10.274 599 2HG ARG 99 1HG ARG 99 7.523 5.584 9.470 600 1HD ARG 99 2HD ARG 99 8.064 2.934 10.057 601 2HD ARG 99 1HD ARG 99 8.656 3.808 11.469 602 HE ARG 99 HE ARG 99 5.926 3.450 10.677 603 1HH1 ARG 99 1HH1 ARG 99 8.127 5.523 12.417 604 2HH1 ARG 99 2HH1 ARG 99 6.893 6.189 13.434 605 1HH2 ARG 99 1HH2 ARG 99 4.303 4.321 12.013 606 2HH2 ARG 99 2HH2 ARG 99 4.723 5.506 13.207 607 H ASP 100 H ASP 100 10.401 4.461 5.566 608 HA ASP 100 HA ASP 100 12.361 6.518 5.971 609 1HB ASP 100 2HB ASP 100 13.654 5.324 4.248 610 2HB ASP 100 1HB ASP 100 13.066 4.231 5.495 611 H SER 101 H SER 101 9.545 6.483 4.227 612 HA SER 101 HA SER 101 10.276 7.652 1.779 613 1HB SER 101 2HB SER 101 7.700 8.099 3.298 614 2HB SER 101 1HB SER 101 7.951 8.266 1.562 615 HG SER 101 HG SER 101 7.005 6.208 2.503 616 H SER 102 H SER 102 9.976 8.954 4.981 617 HA SER 102 HA SER 102 9.595 11.660 4.410 618 1HB SER 102 2HB SER 102 9.468 10.647 6.682 619 2HB SER 102 1HB SER 102 11.226 10.500 6.682 620 HG SER 102 HG SER 102 11.271 12.817 6.385 621 H ILE 103 H ILE 103 12.454 9.662 4.220 622 HA ILE 103 HA ILE 103 14.476 11.535 4.263 623 HB ILE 103 HB ILE 103 14.277 9.069 2.552 624 1HG1 ILE 103 2HG1 ILE 103 14.015 8.837 5.050 625 2HG1 ILE 103 1HG1 ILE 103 15.362 7.957 4.351 626 1HG2 ILE 103 1HG2 ILE 103 16.016 10.443 1.656 627 2HG2 ILE 103 2HG2 ILE 103 16.779 9.167 2.607 628 3HG2 ILE 103 3HG2 ILE 103 16.641 10.798 3.266 629 1HD1 ILE 103 1HD1 ILE 103 15.464 10.509 5.919 630 2HD1 ILE 103 2HD1 ILE 103 16.845 9.847 5.044 631 3HD1 ILE 103 3HD1 ILE 103 16.119 8.935 6.368 632 H THR 104 H THR 104 12.786 10.324 1.362 633 HA THR 104 HA THR 104 13.811 12.595 -0.164 634 HB THR 104 HB THR 104 14.081 10.540 -1.314 635 HG1 THR 104 1HG THR 104 13.199 11.157 -3.129 636 1HG2 THR 104 1HG2 THR 104 11.436 9.889 -0.229 637 2HG2 THR 104 2HG2 THR 104 12.804 8.843 -0.609 638 3HG2 THR 104 3HG2 THR 104 11.717 9.375 -1.892 639 H SER 105 H SER 105 11.207 12.016 1.751 640 HA SER 105 HA SER 105 9.245 13.108 2.085 641 1HB SER 105 2HB SER 105 10.743 14.904 0.349 642 2HB SER 105 1HB SER 105 9.002 15.047 0.105 643 HG SER 105 HG SER 105 10.447 16.047 2.073 644 H LYS 106 H LYS 106 9.802 11.069 -0.270 645 HA LYS 106 HA LYS 106 7.032 10.924 -1.044 646 1HB LYS 106 2HB LYS 106 7.955 12.498 -2.710 647 2HB LYS 106 1HB LYS 106 9.149 11.292 -3.170 648 1HG LYS 106 2HG LYS 106 7.304 9.787 -3.848 649 2HG LYS 106 1HG LYS 106 6.164 11.087 -3.493 650 1HD LYS 106 2HD LYS 106 8.450 11.370 -5.434 651 2HD LYS 106 1HD LYS 106 6.829 10.863 -5.911 652 1HE LYS 106 2HE LYS 106 5.926 12.931 -5.557 653 2HE LYS 106 1HE LYS 106 7.086 13.340 -4.294 654 1HZ LYS 106 1HZ LYS 106 7.539 14.673 -6.197 655 2HZ LYS 106 2HZ LYS 106 7.567 13.328 -7.221 656 3HZ LYS 106 3HZ LYS 106 8.786 13.535 -6.067 657 H VAL 107 H VAL 107 6.477 8.922 -2.068 658 HA VAL 107 HA VAL 107 8.540 6.892 -2.301 659 HB VAL 107 HB VAL 107 7.918 6.899 0.113 660 1HG1 VAL 107 1HG1 VAL 107 5.456 7.440 -0.486 661 2HG1 VAL 107 2HG1 VAL 107 5.801 6.396 0.893 662 3HG1 VAL 107 3HG1 VAL 107 5.291 5.692 -0.640 663 1HG2 VAL 107 1HG2 VAL 107 8.309 4.767 -1.601 664 2HG2 VAL 107 2HG2 VAL 107 6.905 4.288 -0.648 665 3HG2 VAL 107 3HG2 VAL 107 8.411 4.724 0.159 666 H THR 108 H THR 108 7.932 5.116 -3.528 667 HA THR 108 HA THR 108 5.322 5.369 -4.865 668 HB THR 108 HB THR 108 6.724 3.655 -6.446 669 HG1 THR 108 1HG THR 108 8.616 5.524 -5.468 670 1HG2 THR 108 1HG2 THR 108 5.799 5.369 -7.620 671 2HG2 THR 108 2HG2 THR 108 7.494 5.854 -7.657 672 3HG2 THR 108 3HG2 THR 108 6.387 6.602 -6.505 673 H LEU 109 H LEU 109 3.854 3.995 -4.099 674 HA LEU 109 HA LEU 109 4.740 1.433 -2.988 675 1HB LEU 109 2HB LEU 109 1.892 2.247 -2.838 676 2HB LEU 109 1HB LEU 109 2.889 1.429 -1.652 677 HG LEU 109 HG LEU 109 3.204 4.359 -2.280 678 1HD1 LEU 109 1HD1 LEU 109 0.896 3.399 -1.323 679 2HD1 LEU 109 2HD1 LEU 109 1.578 4.947 -0.826 680 3HD1 LEU 109 3HD1 LEU 109 1.808 3.518 0.182 681 1HD2 LEU 109 1HD2 LEU 109 4.209 2.490 -0.168 682 2HD2 LEU 109 2HD2 LEU 109 4.082 4.220 0.143 683 3HD2 LEU 109 3HD2 LEU 109 5.107 3.633 -1.164 684 H GLU 110 H GLU 110 4.319 -0.466 -3.911 685 HA GLU 110 HA GLU 110 2.535 -0.487 -6.262 686 1HB GLU 110 2HB GLU 110 4.823 -2.394 -5.753 687 2HB GLU 110 1HB GLU 110 3.889 -2.215 -7.231 688 1HG GLU 110 2HG GLU 110 4.867 -0.112 -7.706 689 2HG GLU 110 1HG GLU 110 5.596 -0.017 -6.102 690 H ILE 111 H ILE 111 0.634 -1.266 -5.532 691 HA ILE 111 HA ILE 111 0.694 -3.650 -3.823 692 HB ILE 111 HB ILE 111 -1.675 -2.967 -3.262 693 1HG1 ILE 111 2HG1 ILE 111 -1.686 -1.300 -5.242 694 2HG1 ILE 111 1HG1 ILE 111 -2.480 -0.833 -3.739 695 1HG2 ILE 111 1HG2 ILE 111 -0.563 -0.861 -1.910 696 2HG2 ILE 111 2HG2 ILE 111 0.835 -1.860 -2.306 697 3HG2 ILE 111 3HG2 ILE 111 -0.516 -2.550 -1.409 698 1HD1 ILE 111 1HD1 ILE 111 -0.626 0.636 -5.140 699 2HD1 ILE 111 2HD1 ILE 111 0.309 -0.041 -3.809 700 3HD1 ILE 111 3HD1 ILE 111 -1.137 0.913 -3.475 701 H GLU 112 H GLU 112 -0.904 -5.257 -4.144 702 HA GLU 112 HA GLU 112 -1.861 -5.404 -6.922 703 1HB GLU 112 2HB GLU 112 -0.241 -7.165 -6.181 704 2HB GLU 112 1HB GLU 112 -1.423 -7.687 -4.986 705 1HG GLU 112 2HG GLU 112 -3.015 -8.089 -6.879 706 2HG GLU 112 1HG GLU 112 -1.673 -7.788 -7.981 707 H PHE 113 H PHE 113 -3.986 -5.442 -7.289 708 HA PHE 113 HA PHE 113 -5.803 -6.149 -5.095 709 1HB PHE 113 2HB PHE 113 -7.156 -4.207 -5.416 710 2HB PHE 113 1HB PHE 113 -5.494 -3.640 -5.273 711 HD1 PHE 113 1HD PHE 113 -4.223 -3.490 -7.603 712 HD2 PHE 113 2HD PHE 113 -8.441 -3.320 -7.090 713 HE1 PHE 113 1HE PHE 113 -4.433 -2.351 -9.772 714 HE2 PHE 113 2HE PHE 113 -8.662 -2.179 -9.256 715 HZ PHE 113 HZ PHE 113 -6.661 -1.704 -10.608 716 H ASP 114 H ASP 114 -8.051 -6.494 -5.860 717 HA ASP 114 HA ASP 114 -8.008 -7.891 -8.427 718 1HB ASP 114 2HB ASP 114 -8.876 -8.821 -6.102 719 2HB ASP 114 1HB ASP 114 -10.356 -7.996 -6.581 720 H VAL 115 H VAL 115 -9.140 -7.245 -10.150 721 HA VAL 115 HA VAL 115 -9.996 -4.700 -10.577 722 HB VAL 115 HB VAL 115 -9.872 -5.850 -12.541 723 1HG1 VAL 115 1HG1 VAL 115 -11.038 -8.077 -12.910 724 2HG1 VAL 115 2HG1 VAL 115 -11.290 -8.104 -11.166 725 3HG1 VAL 115 3HG1 VAL 115 -9.655 -8.067 -11.819 726 1HG2 VAL 115 1HG2 VAL 115 -12.827 -6.095 -12.048 727 2HG2 VAL 115 2HG2 VAL 115 -12.016 -5.981 -13.608 728 3HG2 VAL 115 3HG2 VAL 115 -12.004 -4.608 -12.506 729 H ALA 116 H ALA 116 -11.740 -3.475 -10.209 730 HA ALA 116 HA ALA 116 -13.762 -4.513 -8.425 731 1HB ALA 116 1HB ALA 116 -12.842 -1.828 -9.256 732 2HB ALA 116 2HB ALA 116 -13.236 -2.445 -7.651 733 3HB ALA 116 3HB ALA 116 -14.526 -1.978 -8.759 734 H GLU 117 H GLU 117 -15.823 -4.985 -8.952 735 HA GLU 117 HA GLU 117 -16.594 -5.450 -11.580 736 1HB GLU 117 2HB GLU 117 -17.964 -5.359 -8.961 737 2HB GLU 117 1HB GLU 117 -19.001 -5.188 -10.370 738 1HG GLU 117 2HG GLU 117 -17.594 -7.292 -11.173 739 2HG GLU 117 1HG GLU 117 -17.433 -7.516 -9.433 740 H SER 118 H SER 118 -16.828 -4.004 -13.146 741 HA SER 118 HA SER 118 -17.775 -1.314 -12.507 742 1HB SER 118 2HB SER 118 -17.020 -0.721 -14.769 743 2HB SER 118 1HB SER 118 -15.729 -1.512 -13.865 744 HG SER 118 HG SER 118 -16.458 -2.192 -16.192 Start of MODEL 18 1 1H GLN 18 1HT GLN 18 -13.025 0.152 -11.777 2 2H GLN 18 2HT GLN 18 -14.013 -1.209 -11.433 3 3H GLN 18 3HT GLN 18 -14.629 0.378 -11.215 4 HA GLN 18 HA GLN 18 -15.369 -0.844 -13.232 5 1HB GLN 18 2HB GLN 18 -15.246 1.210 -14.568 6 2HB GLN 18 1HB GLN 18 -15.611 1.570 -12.887 7 1HG GLN 18 2HG GLN 18 -13.391 2.317 -12.482 8 2HG GLN 18 1HG GLN 18 -12.847 1.735 -14.054 9 1HE2 GLN 18 1HE2 GLN 18 -14.845 4.110 -12.423 10 2HE2 GLN 18 2HE2 GLN 18 -14.849 5.270 -13.712 11 H VAL 19 H VAL 19 -14.860 -1.389 -15.389 12 HA VAL 19 HA VAL 19 -13.550 -2.732 -16.741 13 HB VAL 19 HB VAL 19 -13.588 -0.436 -17.674 14 1HG1 VAL 19 1HG1 VAL 19 -11.837 1.089 -17.410 15 2HG1 VAL 19 2HG1 VAL 19 -10.760 -0.123 -16.721 16 3HG1 VAL 19 3HG1 VAL 19 -12.123 0.482 -15.782 17 1HG2 VAL 19 1HG2 VAL 19 -11.263 -0.879 -18.956 18 2HG2 VAL 19 2HG2 VAL 19 -12.743 -1.781 -19.279 19 3HG2 VAL 19 3HG2 VAL 19 -11.511 -2.459 -18.214 20 H VAL 20 H VAL 20 -12.772 -3.426 -14.233 21 HA VAL 20 HA VAL 20 -9.850 -3.675 -14.517 22 HB VAL 20 HB VAL 20 -10.455 -2.183 -12.628 23 1HG1 VAL 20 1HG1 VAL 20 -11.488 -3.135 -10.626 24 2HG1 VAL 20 2HG1 VAL 20 -11.739 -4.659 -11.479 25 3HG1 VAL 20 3HG1 VAL 20 -12.580 -3.203 -12.008 26 1HG2 VAL 20 1HG2 VAL 20 -8.892 -3.077 -11.129 27 2HG2 VAL 20 2HG2 VAL 20 -8.425 -3.726 -12.700 28 3HG2 VAL 20 3HG2 VAL 20 -9.303 -4.738 -11.553 29 H HIS 21 H HIS 21 -8.933 -5.622 -13.530 30 HA HIS 21 HA HIS 21 -10.706 -7.793 -12.867 31 1HB HIS 21 2HB HIS 21 -10.436 -7.542 -15.490 32 2HB HIS 21 1HB HIS 21 -8.918 -8.379 -15.184 33 HD1 HIS 21 1HD HIS 21 -12.146 -9.120 -13.376 34 HD2 HIS 21 2HD HIS 21 -9.639 -10.822 -16.219 35 HE1 HIS 21 1HE HIS 21 -13.003 -11.460 -13.713 36 HE2 HIS 21 2HE HIS 21 -11.529 -12.438 -15.507 37 H THR 22 H THR 22 -8.819 -6.616 -11.315 38 HA THR 22 HA THR 22 -7.220 -7.263 -9.815 39 HB THR 22 HB THR 22 -6.600 -9.716 -11.436 40 HG1 THR 22 1HG THR 22 -8.686 -10.088 -11.255 41 1HG2 THR 22 1HG2 THR 22 -5.451 -10.348 -9.665 42 2HG2 THR 22 2HG2 THR 22 -6.871 -10.151 -8.636 43 3HG2 THR 22 3HG2 THR 22 -5.787 -8.788 -8.914 44 H GLU 23 H GLU 23 -5.319 -6.276 -9.759 45 HA GLU 23 HA GLU 23 -3.184 -6.792 -11.515 46 1HB GLU 23 2HB GLU 23 -3.115 -4.783 -12.838 47 2HB GLU 23 1HB GLU 23 -4.668 -5.568 -13.093 48 1HG GLU 23 2HG GLU 23 -5.775 -3.782 -12.402 49 2HG GLU 23 1HG GLU 23 -4.816 -3.676 -10.927 50 H THR 24 H THR 24 -1.385 -5.163 -11.237 51 HA THR 24 HA THR 24 -1.329 -4.344 -8.436 52 HB THR 24 HB THR 24 1.180 -3.845 -9.326 53 HG1 THR 24 1HG THR 24 1.696 -5.558 -10.767 54 1HG2 THR 24 1HG2 THR 24 1.509 -6.448 -8.842 55 2HG2 THR 24 2HG2 THR 24 -0.095 -6.222 -8.145 56 3HG2 THR 24 3HG2 THR 24 1.259 -5.249 -7.572 57 H THR 25 H THR 25 -1.006 -2.259 -7.759 58 HA THR 25 HA THR 25 -1.032 -0.193 -9.861 59 HB THR 25 HB THR 25 -3.122 0.124 -8.927 60 HG1 THR 25 1HG THR 25 -1.577 1.563 -7.059 61 1HG2 THR 25 1HG2 THR 25 -2.164 -0.342 -6.132 62 2HG2 THR 25 2HG2 THR 25 -2.777 -1.644 -7.152 63 3HG2 THR 25 3HG2 THR 25 -3.820 -0.287 -6.735 64 H GLU 26 H GLU 26 0.133 1.675 -9.531 65 HA GLU 26 HA GLU 26 2.127 1.543 -7.369 66 1HB GLU 26 2HB GLU 26 3.526 3.009 -8.829 67 2HB GLU 26 1HB GLU 26 3.221 1.422 -9.518 68 1HG GLU 26 2HG GLU 26 1.256 3.425 -10.305 69 2HG GLU 26 1HG GLU 26 2.905 3.815 -10.797 70 H VAL 27 H VAL 27 1.119 2.670 -5.793 71 HA VAL 27 HA VAL 27 -0.044 5.271 -6.463 72 HB VAL 27 HB VAL 27 -0.281 4.238 -3.695 73 1HG1 VAL 27 1HG1 VAL 27 -2.586 5.083 -4.000 74 2HG1 VAL 27 2HG1 VAL 27 -2.179 5.505 -5.664 75 3HG1 VAL 27 3HG1 VAL 27 -1.354 6.304 -4.326 76 1HG2 VAL 27 1HG2 VAL 27 -1.904 3.016 -5.927 77 2HG2 VAL 27 2HG2 VAL 27 -2.018 2.653 -4.206 78 3HG2 VAL 27 3HG2 VAL 27 -0.574 2.195 -5.109 79 H VAL 28 H VAL 28 1.398 6.848 -6.407 80 HA VAL 28 HA VAL 28 3.644 6.798 -4.598 81 HB VAL 28 HB VAL 28 2.837 9.101 -6.362 82 1HG1 VAL 28 1HG1 VAL 28 5.453 8.177 -5.192 83 2HG1 VAL 28 2HG1 VAL 28 4.567 9.653 -4.812 84 3HG1 VAL 28 3HG1 VAL 28 5.309 9.454 -6.399 85 1HG2 VAL 28 1HG2 VAL 28 4.842 7.567 -7.629 86 2HG2 VAL 28 2HG2 VAL 28 3.194 7.869 -8.177 87 3HG2 VAL 28 3HG2 VAL 28 3.547 6.457 -7.184 88 H LEU 29 H LEU 29 3.606 7.547 -2.602 89 HA LEU 29 HA LEU 29 1.585 9.557 -1.882 90 1HB LEU 29 2HB LEU 29 2.963 7.551 -0.095 91 2HB LEU 29 1HB LEU 29 1.742 8.704 0.407 92 HG LEU 29 HG LEU 29 1.342 6.367 -1.459 93 1HD1 LEU 29 1HD1 LEU 29 -0.376 5.893 0.459 94 2HD1 LEU 29 2HD1 LEU 29 0.717 6.904 1.404 95 3HD1 LEU 29 3HD1 LEU 29 1.318 5.434 0.637 96 1HD2 LEU 29 1HD2 LEU 29 -1.139 7.218 -0.951 97 2HD2 LEU 29 2HD2 LEU 29 -0.208 7.764 -2.346 98 3HD2 LEU 29 3HD2 LEU 29 -0.296 8.765 -0.897 99 H THR 30 H THR 30 2.238 11.019 -0.076 100 HA THR 30 HA THR 30 5.111 11.653 -0.210 101 HB THR 30 HB THR 30 2.848 13.655 -0.064 102 HG1 THR 30 1HG THR 30 2.988 13.848 -2.172 103 1HG2 THR 30 1HG2 THR 30 5.302 14.151 0.794 104 2HG2 THR 30 2HG2 THR 30 4.352 15.346 -0.090 105 3HG2 THR 30 3HG2 THR 30 5.577 14.396 -0.931 106 H ALA 31 H ALA 31 6.121 11.981 1.688 107 HA ALA 31 HA ALA 31 4.664 11.476 4.121 108 1HB ALA 31 1HB ALA 31 6.672 11.012 5.069 109 2HB ALA 31 2HB ALA 31 7.495 12.331 4.238 110 3HB ALA 31 3HB ALA 31 7.144 10.830 3.381 111 H ASP 32 H ASP 32 3.317 13.230 4.460 112 HA ASP 32 HA ASP 32 4.248 15.930 4.392 113 1HB ASP 32 2HB ASP 32 1.740 14.706 5.558 114 2HB ASP 32 1HB ASP 32 2.045 16.436 5.467 115 HA PRO 33 HA PRO 33 5.881 16.139 8.499 116 1HB PRO 33 2HB PRO 33 6.128 18.789 8.752 117 2HB PRO 33 1HB PRO 33 7.091 17.887 7.575 118 1HG PRO 33 2HG PRO 33 4.639 19.542 7.146 119 2HG PRO 33 1HG PRO 33 6.100 19.424 6.149 120 1HD PRO 33 2HD PRO 33 3.727 18.094 5.648 121 2HD PRO 33 1HD PRO 33 5.315 17.609 5.024 122 H VAL 34 H VAL 34 3.159 15.584 8.611 123 HA VAL 34 HA VAL 34 2.426 16.994 11.033 124 HB VAL 34 HB VAL 34 0.476 16.936 8.728 125 1HG1 VAL 34 1HG1 VAL 34 -0.777 18.522 10.209 126 2HG1 VAL 34 2HG1 VAL 34 0.374 18.135 11.490 127 3HG1 VAL 34 3HG1 VAL 34 -0.661 16.872 10.822 128 1HG2 VAL 34 1HG2 VAL 34 2.192 19.186 9.763 129 2HG2 VAL 34 2HG2 VAL 34 0.787 19.421 8.723 130 3HG2 VAL 34 3HG2 VAL 34 2.175 18.503 8.137 131 H THR 35 H THR 35 0.991 14.858 8.564 132 HA THR 35 HA THR 35 0.269 12.994 10.728 133 HB THR 35 HB THR 35 -1.429 12.161 8.956 134 HG1 THR 35 1HG THR 35 -0.999 13.220 7.151 135 1HG2 THR 35 1HG2 THR 35 -3.110 13.501 9.780 136 2HG2 THR 35 2HG2 THR 35 -2.068 14.920 9.889 137 3HG2 THR 35 3HG2 THR 35 -1.887 13.602 11.047 138 H GLY 36 H GLY 36 2.129 13.420 7.894 139 1HA GLY 36 2HA GLY 36 3.708 12.001 6.982 140 2HA GLY 36 1HA GLY 36 3.204 10.766 8.126 141 H PHE 37 H PHE 37 2.465 9.010 7.164 142 HA PHE 37 HA PHE 37 1.096 9.296 4.575 143 1HB PHE 37 2HB PHE 37 2.633 6.979 5.757 144 2HB PHE 37 1HB PHE 37 1.673 6.856 4.287 145 HD1 PHE 37 1HD PHE 37 2.362 8.012 2.251 146 HD2 PHE 37 2HD PHE 37 4.736 8.124 5.781 147 HE1 PHE 37 1HE PHE 37 4.278 8.817 0.932 148 HE2 PHE 37 2HE PHE 37 6.656 8.929 4.469 149 HZ PHE 37 HZ PHE 37 6.430 9.278 2.040 150 H GLY 38 H GLY 38 0.807 8.125 7.833 151 1HA GLY 38 2HA GLY 38 -0.916 7.119 8.974 152 2HA GLY 38 1HA GLY 38 -1.933 8.108 7.941 153 H ILE 39 H ILE 39 0.140 5.302 7.235 154 HA ILE 39 HA ILE 39 -2.264 3.837 6.391 155 HB ILE 39 HB ILE 39 -1.166 4.755 4.386 156 1HG1 ILE 39 2HG1 ILE 39 -0.507 2.218 3.546 157 2HG1 ILE 39 1HG1 ILE 39 -1.553 1.896 4.930 158 1HG2 ILE 39 1HG2 ILE 39 1.159 4.499 5.611 159 2HG2 ILE 39 2HG2 ILE 39 1.032 4.477 3.852 160 3HG2 ILE 39 3HG2 ILE 39 1.173 2.963 4.746 161 1HD1 ILE 39 1HD1 ILE 39 -3.195 2.064 3.426 162 2HD1 ILE 39 2HD1 ILE 39 -2.195 2.960 2.282 163 3HD1 ILE 39 3HD1 ILE 39 -2.971 3.801 3.623 164 H GLN 40 H GLN 40 -2.396 1.896 7.285 165 HA GLN 40 HA GLN 40 0.026 0.736 8.478 166 1HB GLN 40 2HB GLN 40 -2.514 1.198 9.548 167 2HB GLN 40 1HB GLN 40 -2.449 -0.539 9.282 168 1HG GLN 40 2HG GLN 40 -1.614 -0.405 11.397 169 2HG GLN 40 1HG GLN 40 -0.123 -0.324 10.459 170 1HE2 GLN 40 1HE2 GLN 40 0.715 1.841 9.996 171 2HE2 GLN 40 2HE2 GLN 40 0.508 3.081 11.188 172 H LEU 41 H LEU 41 0.886 -0.991 7.558 173 HA LEU 41 HA LEU 41 -0.785 -2.594 5.744 174 1HB LEU 41 2HB LEU 41 2.101 -2.985 5.519 175 2HB LEU 41 1HB LEU 41 0.906 -2.705 4.270 176 HG LEU 41 HG LEU 41 1.043 -0.221 5.271 177 1HD1 LEU 41 1HD1 LEU 41 3.024 -1.427 6.718 178 2HD1 LEU 41 2HD1 LEU 41 2.907 0.301 6.388 179 3HD1 LEU 41 3HD1 LEU 41 3.918 -0.725 5.370 180 1HD2 LEU 41 1HD2 LEU 41 1.327 -0.488 2.986 181 2HD2 LEU 41 2HD2 LEU 41 2.681 -1.602 3.181 182 3HD2 LEU 41 3HD2 LEU 41 2.900 0.118 3.504 183 H GLN 42 H GLN 42 -1.545 -4.230 6.972 184 HA GLN 42 HA GLN 42 -0.176 -5.462 9.094 185 1HB GLN 42 2HB GLN 42 -2.689 -5.527 8.480 186 2HB GLN 42 1HB GLN 42 -2.252 -6.878 7.443 187 1HG GLN 42 2HG GLN 42 -1.200 -7.914 9.515 188 2HG GLN 42 1HG GLN 42 -2.069 -6.680 10.428 189 1HE2 GLN 42 1HE2 GLN 42 -2.358 -9.518 8.437 190 2HE2 GLN 42 2HE2 GLN 42 -4.013 -9.863 8.821 191 H GLY 43 H GLY 43 0.773 -7.555 9.230 192 1HA GLY 43 2HA GLY 43 2.211 -8.268 6.778 193 2HA GLY 43 1HA GLY 43 2.655 -8.740 8.412 194 H SER 44 H SER 44 -0.512 -9.047 6.857 195 HA SER 44 HA SER 44 -0.308 -11.738 6.115 196 1HB SER 44 2HB SER 44 -0.158 -11.745 8.754 197 2HB SER 44 1HB SER 44 -1.911 -11.589 8.634 198 HG SER 44 HG SER 44 -2.046 -13.572 7.902 199 H VAL 45 H VAL 45 -2.653 -12.779 6.152 200 HA VAL 45 HA VAL 45 -4.266 -11.088 4.551 201 HB VAL 45 HB VAL 45 -4.183 -13.517 4.245 202 1HG1 VAL 45 1HG1 VAL 45 -4.094 -14.087 6.659 203 2HG1 VAL 45 2HG1 VAL 45 -5.234 -15.054 5.722 204 3HG1 VAL 45 3HG1 VAL 45 -5.821 -13.748 6.746 205 1HG2 VAL 45 1HG2 VAL 45 -6.740 -13.865 4.197 206 2HG2 VAL 45 2HG2 VAL 45 -6.037 -12.585 3.208 207 3HG2 VAL 45 3HG2 VAL 45 -6.814 -12.189 4.742 208 H PHE 46 H PHE 46 -4.655 -12.432 7.748 209 HA PHE 46 HA PHE 46 -6.076 -10.129 8.690 210 1HB PHE 46 2HB PHE 46 -8.110 -11.455 9.410 211 2HB PHE 46 1HB PHE 46 -7.990 -11.118 7.686 212 HD1 PHE 46 1HD PHE 46 -8.562 -12.829 6.288 213 HD2 PHE 46 2HD PHE 46 -6.868 -13.767 10.077 214 HE1 PHE 46 1HE PHE 46 -8.806 -15.227 5.798 215 HE2 PHE 46 2HE PHE 46 -7.104 -16.166 9.593 216 HZ PHE 46 HZ PHE 46 -8.075 -16.900 7.452 217 H ALA 47 H ALA 47 -6.421 -10.148 10.978 218 HA ALA 47 HA ALA 47 -4.637 -12.041 12.341 219 1HB ALA 47 1HB ALA 47 -5.467 -9.227 12.917 220 2HB ALA 47 2HB ALA 47 -3.849 -9.919 12.812 221 3HB ALA 47 3HB ALA 47 -4.862 -10.259 14.214 222 H THR 48 H THR 48 -5.694 -13.721 13.171 223 HA THR 48 HA THR 48 -7.451 -13.550 15.290 224 HB THR 48 HB THR 48 -9.422 -14.633 13.723 225 HG1 THR 48 1HG THR 48 -9.490 -13.682 11.836 226 1HG2 THR 48 1HG2 THR 48 -10.686 -13.021 14.579 227 2HG2 THR 48 2HG2 THR 48 -9.688 -11.744 13.882 228 3HG2 THR 48 3HG2 THR 48 -9.225 -12.491 15.411 229 H GLU 49 H GLU 49 -5.842 -15.154 15.793 230 HA GLU 49 HA GLU 49 -5.137 -17.290 16.128 231 1HB GLU 49 2HB GLU 49 -7.963 -17.724 15.216 232 2HB GLU 49 1HB GLU 49 -6.907 -19.098 15.518 233 1HG GLU 49 2HG GLU 49 -6.532 -17.668 17.781 234 2HG GLU 49 1HG GLU 49 -8.203 -17.256 17.399 235 H THR 50 H THR 50 -4.332 -16.042 13.745 236 HA THR 50 HA THR 50 -3.240 -18.164 12.329 237 HB THR 50 HB THR 50 -4.722 -17.243 10.159 238 HG1 THR 50 1HG THR 50 -6.198 -16.428 11.837 239 1HG2 THR 50 1HG2 THR 50 -5.964 -19.505 10.513 240 2HG2 THR 50 2HG2 THR 50 -4.739 -19.750 11.758 241 3HG2 THR 50 3HG2 THR 50 -4.254 -19.478 10.084 242 H LEU 51 H LEU 51 -1.718 -17.493 10.817 243 HA LEU 51 HA LEU 51 -1.598 -14.951 9.640 244 1HB LEU 51 2HB LEU 51 -1.234 -14.451 12.147 245 2HB LEU 51 1HB LEU 51 0.350 -15.169 11.915 246 HG LEU 51 HG LEU 51 -0.717 -12.744 10.467 247 1HD1 LEU 51 1HD1 LEU 51 1.676 -12.622 12.187 248 2HD1 LEU 51 2HD1 LEU 51 0.125 -12.794 13.007 249 3HD1 LEU 51 3HD1 LEU 51 0.402 -11.432 11.923 250 1HD2 LEU 51 1HD2 LEU 51 1.673 -12.570 9.695 251 2HD2 LEU 51 2HD2 LEU 51 0.738 -13.882 8.978 252 3HD2 LEU 51 3HD2 LEU 51 1.894 -14.225 10.263 253 H SER 52 H SER 52 -0.690 -15.684 7.829 254 HA SER 52 HA SER 52 2.045 -16.494 7.816 255 1HB SER 52 2HB SER 52 0.350 -18.558 8.296 256 2HB SER 52 1HB SER 52 0.439 -18.598 6.536 257 HG SER 52 HG SER 52 2.239 -19.454 8.311 258 H SER 53 H SER 53 0.106 -14.605 6.595 259 HA SER 53 HA SER 53 0.567 -15.215 3.756 260 1HB SER 53 2HB SER 53 -1.351 -13.098 4.669 261 2HB SER 53 1HB SER 53 -1.374 -14.061 3.192 262 HG SER 53 HG SER 53 -2.010 -14.906 5.822 263 HA PRO 54 HA PRO 54 3.394 -11.872 3.299 264 1HB PRO 54 2HB PRO 54 1.947 -11.034 0.859 265 2HB PRO 54 1HB PRO 54 3.624 -11.561 1.048 266 1HG PRO 54 2HG PRO 54 1.799 -13.132 -0.117 267 2HG PRO 54 1HG PRO 54 3.074 -13.803 0.918 268 1HD PRO 54 2HD PRO 54 0.188 -13.312 1.541 269 2HD PRO 54 1HD PRO 54 1.223 -14.682 1.995 270 HA PRO 55 HA PRO 55 2.011 -7.925 4.690 271 1HB PRO 55 2HB PRO 55 2.911 -6.737 2.100 272 2HB PRO 55 1HB PRO 55 3.265 -6.224 3.755 273 1HG PRO 55 2HG PRO 55 5.088 -7.530 2.332 274 2HG PRO 55 1HG PRO 55 4.874 -7.870 4.059 275 1HD PRO 55 2HD PRO 55 4.031 -9.473 1.691 276 2HD PRO 55 1HD PRO 55 4.571 -10.018 3.292 277 H LEU 56 H LEU 56 0.317 -6.408 4.480 278 HA LEU 56 HA LEU 56 -1.238 -6.187 2.093 279 1HB LEU 56 2HB LEU 56 -1.918 -8.229 4.051 280 2HB LEU 56 1HB LEU 56 -3.236 -7.105 3.790 281 HG LEU 56 HG LEU 56 -2.339 -7.755 1.222 282 1HD1 LEU 56 1HD1 LEU 56 -1.959 -9.987 3.102 283 2HD1 LEU 56 2HD1 LEU 56 -1.233 -9.693 1.523 284 3HD1 LEU 56 3HD1 LEU 56 -2.860 -10.366 1.636 285 1HD2 LEU 56 1HD2 LEU 56 -4.689 -8.670 2.862 286 2HD2 LEU 56 2HD2 LEU 56 -4.517 -9.006 1.139 287 3HD2 LEU 56 3HD2 LEU 56 -4.625 -7.340 1.708 288 H ILE 57 H ILE 57 -2.261 -4.275 2.096 289 HA ILE 57 HA ILE 57 -2.158 -2.632 4.470 290 HB ILE 57 HB ILE 57 -3.388 -1.947 1.803 291 1HG1 ILE 57 2HG1 ILE 57 -0.582 -1.333 2.741 292 2HG1 ILE 57 1HG1 ILE 57 -0.978 -2.676 1.671 293 1HG2 ILE 57 1HG2 ILE 57 -2.185 -0.025 3.756 294 2HG2 ILE 57 2HG2 ILE 57 -3.852 -0.574 3.936 295 3HG2 ILE 57 3HG2 ILE 57 -3.357 0.275 2.472 296 1HD1 ILE 57 1HD1 ILE 57 -0.126 -0.604 0.554 297 2HD1 ILE 57 2HD1 ILE 57 -1.631 0.182 1.028 298 3HD1 ILE 57 3HD1 ILE 57 -1.668 -1.211 -0.052 299 H SER 58 H SER 58 -3.868 -1.941 5.711 300 HA SER 58 HA SER 58 -6.584 -2.436 4.904 301 1HB SER 58 2HB SER 58 -5.272 -4.148 7.002 302 2HB SER 58 1HB SER 58 -7.013 -3.863 7.007 303 HG SER 58 HG SER 58 -5.435 -5.175 5.070 304 H TYR 59 H TYR 59 -5.145 -0.101 5.674 305 HA TYR 59 HA TYR 59 -6.982 1.008 7.495 306 1HB TYR 59 2HB TYR 59 -5.510 -0.397 9.034 307 2HB TYR 59 1HB TYR 59 -4.228 0.760 8.690 308 HD1 TYR 59 1HD TYR 59 -7.845 1.478 9.167 309 HD2 TYR 59 2HD TYR 59 -3.921 1.785 10.780 310 HE1 TYR 59 1HE TYR 59 -8.696 2.946 10.944 311 HE2 TYR 59 2HE TYR 59 -4.762 3.253 12.564 312 HH TYR 59 HH TYR 59 -6.798 3.817 13.679 313 H ILE 60 H ILE 60 -6.951 3.194 7.472 314 HA ILE 60 HA ILE 60 -4.617 4.636 6.524 315 HB ILE 60 HB ILE 60 -7.079 5.426 5.088 316 1HG1 ILE 60 2HG1 ILE 60 -5.536 2.917 4.380 317 2HG1 ILE 60 1HG1 ILE 60 -7.243 3.019 4.800 318 1HG2 ILE 60 1HG2 ILE 60 -5.383 5.739 3.267 319 2HG2 ILE 60 2HG2 ILE 60 -4.152 5.208 4.412 320 3HG2 ILE 60 3HG2 ILE 60 -5.081 6.674 4.732 321 1HD1 ILE 60 1HD1 ILE 60 -7.375 2.871 2.532 322 2HD1 ILE 60 2HD1 ILE 60 -5.862 3.739 2.274 323 3HD1 ILE 60 3HD1 ILE 60 -7.321 4.622 2.723 324 H GLU 61 H GLU 61 -4.742 6.921 6.925 325 HA GLU 61 HA GLU 61 -6.379 7.513 9.230 326 1HB GLU 61 2HB GLU 61 -3.873 8.362 8.255 327 2HB GLU 61 1HB GLU 61 -4.901 9.788 8.276 328 1HG GLU 61 2HG GLU 61 -4.344 9.973 10.415 329 2HG GLU 61 1HG GLU 61 -5.433 8.618 10.699 330 H ALA 62 H ALA 62 -7.679 9.396 9.446 331 HA ALA 62 HA ALA 62 -9.251 9.902 7.061 332 1HB ALA 62 1HB ALA 62 -10.743 9.599 8.741 333 2HB ALA 62 2HB ALA 62 -10.512 11.337 8.927 334 3HB ALA 62 3HB ALA 62 -9.643 10.216 9.975 335 H ASP 63 H ASP 63 -6.692 10.957 6.938 336 HA ASP 63 HA ASP 63 -7.025 13.469 5.944 337 1HB ASP 63 2HB ASP 63 -7.069 13.545 8.813 338 2HB ASP 63 1HB ASP 63 -5.630 14.384 8.241 339 H SER 64 H SER 64 -5.450 11.035 5.671 340 HA SER 64 HA SER 64 -2.747 12.207 5.700 341 1HB SER 64 2HB SER 64 -3.725 9.561 6.554 342 2HB SER 64 1HB SER 64 -2.282 9.518 5.543 343 HG SER 64 HG SER 64 -2.525 10.232 8.130 344 HA PRO 65 HA PRO 65 -2.535 12.077 1.300 345 1HB PRO 65 2HB PRO 65 -0.014 10.793 1.147 346 2HB PRO 65 1HB PRO 65 -0.330 12.528 1.097 347 1HG PRO 65 2HG PRO 65 0.512 10.821 3.377 348 2HG PRO 65 1HG PRO 65 0.883 12.521 3.045 349 1HD PRO 65 2HD PRO 65 -0.873 11.829 4.941 350 2HD PRO 65 1HD PRO 65 -1.138 13.261 3.923 351 H ALA 66 H ALA 66 -1.848 9.184 3.173 352 HA ALA 66 HA ALA 66 -1.885 7.308 1.084 353 1HB ALA 66 1HB ALA 66 -2.447 5.663 2.872 354 2HB ALA 66 2HB ALA 66 -2.611 7.014 3.994 355 3HB ALA 66 3HB ALA 66 -1.052 6.679 3.239 356 H GLU 67 H GLU 67 -4.497 8.447 3.209 357 HA GLU 67 HA GLU 67 -6.489 6.901 1.832 358 1HB GLU 67 2HB GLU 67 -6.999 7.214 4.084 359 2HB GLU 67 1HB GLU 67 -6.512 8.902 4.064 360 1HG GLU 67 2HG GLU 67 -8.957 8.521 4.299 361 2HG GLU 67 1HG GLU 67 -8.502 9.545 2.940 362 H ARG 68 H ARG 68 -5.322 10.205 1.740 363 HA ARG 68 HA ARG 68 -7.474 11.145 0.082 364 1HB ARG 68 2HB ARG 68 -4.893 12.351 1.037 365 2HB ARG 68 1HB ARG 68 -5.908 13.172 -0.141 366 1HG ARG 68 2HG ARG 68 -6.868 14.093 1.653 367 2HG ARG 68 1HG ARG 68 -7.725 12.555 1.780 368 1HD ARG 68 2HD ARG 68 -5.082 12.520 3.015 369 2HD ARG 68 1HD ARG 68 -6.174 13.699 3.736 370 HE ARG 68 HE ARG 68 -6.277 10.894 4.077 371 1HH1 ARG 68 1HH1 ARG 68 -8.366 13.654 3.594 372 2HH1 ARG 68 2HH1 ARG 68 -9.696 12.956 4.457 373 1HH2 ARG 68 1HH2 ARG 68 -8.022 9.988 5.227 374 2HH2 ARG 68 2HH2 ARG 68 -9.502 10.874 5.377 375 H CYS 69 H CYS 69 -4.734 9.303 -0.554 376 HA CYS 69 HA CYS 69 -3.761 10.341 -2.943 377 1HB CYS 69 2HB CYS 69 -2.813 8.203 -3.361 378 2HB CYS 69 1HB CYS 69 -2.819 8.404 -1.613 379 HG CYS 69 HG CYS 69 -3.821 6.031 -2.787 380 H GLY 70 H GLY 70 -6.697 8.580 -2.288 381 1HA GLY 70 2HA GLY 70 -8.528 8.140 -3.601 382 2HA GLY 70 1HA GLY 70 -7.915 9.366 -4.701 383 H VAL 71 H VAL 71 -6.541 6.241 -3.716 384 HA VAL 71 HA VAL 71 -6.941 5.213 -6.421 385 HB VAL 71 HB VAL 71 -4.214 5.129 -5.136 386 1HG1 VAL 71 1HG1 VAL 71 -5.419 4.077 -7.622 387 2HG1 VAL 71 2HG1 VAL 71 -4.125 3.421 -6.621 388 3HG1 VAL 71 3HG1 VAL 71 -3.788 4.736 -7.746 389 1HG2 VAL 71 1HG2 VAL 71 -3.642 6.762 -7.024 390 2HG2 VAL 71 2HG2 VAL 71 -4.482 7.405 -5.613 391 3HG2 VAL 71 3HG2 VAL 71 -5.375 7.081 -7.099 392 H LEU 72 H LEU 72 -5.037 4.296 -3.545 393 HA LEU 72 HA LEU 72 -5.854 1.559 -3.767 394 1HB LEU 72 2HB LEU 72 -4.677 1.396 -1.495 395 2HB LEU 72 1HB LEU 72 -3.712 1.789 -2.902 396 HG LEU 72 HG LEU 72 -3.625 4.119 -2.258 397 1HD1 LEU 72 1HD1 LEU 72 -5.607 3.263 -0.186 398 2HD1 LEU 72 2HD1 LEU 72 -5.669 4.635 -1.292 399 3HD1 LEU 72 3HD1 LEU 72 -4.568 4.660 0.084 400 1HD2 LEU 72 1HD2 LEU 72 -2.375 3.914 -0.162 401 2HD2 LEU 72 2HD2 LEU 72 -1.954 2.637 -1.302 402 3HD2 LEU 72 3HD2 LEU 72 -3.019 2.289 0.060 403 H GLN 73 H GLN 73 -6.774 0.372 -1.879 404 HA GLN 73 HA GLN 73 -8.745 1.978 -0.403 405 1HB GLN 73 2HB GLN 73 -9.473 0.466 -2.533 406 2HB GLN 73 1HB GLN 73 -9.615 -0.720 -1.243 407 1HG GLN 73 2HG GLN 73 -11.435 0.252 -0.376 408 2HG GLN 73 1HG GLN 73 -10.821 1.881 -0.647 409 1HE2 GLN 73 1HE2 GLN 73 -11.110 2.841 -2.697 410 2HE2 GLN 73 2HE2 GLN 73 -12.363 2.302 -3.767 411 H ILE 74 H ILE 74 -9.961 0.036 1.046 412 HA ILE 74 HA ILE 74 -7.875 -0.688 2.907 413 HB ILE 74 HB ILE 74 -10.807 -1.356 3.133 414 1HG1 ILE 74 2HG1 ILE 74 -10.552 1.056 2.743 415 2HG1 ILE 74 1HG1 ILE 74 -11.062 0.733 4.396 416 1HG2 ILE 74 1HG2 ILE 74 -8.459 -1.462 4.928 417 2HG2 ILE 74 2HG2 ILE 74 -9.877 -2.507 4.849 418 3HG2 ILE 74 3HG2 ILE 74 -9.985 -0.933 5.637 419 1HD1 ILE 74 1HD1 ILE 74 -8.988 2.352 3.626 420 2HD1 ILE 74 2HD1 ILE 74 -8.174 0.867 4.121 421 3HD1 ILE 74 3HD1 ILE 74 -9.251 1.700 5.243 422 H GLY 75 H GLY 75 -6.786 -2.231 1.499 423 1HA GLY 75 2HA GLY 75 -6.842 -4.794 2.095 424 2HA GLY 75 1HA GLY 75 -8.220 -4.734 1.009 425 H ASP 76 H ASP 76 -4.851 -3.554 1.074 426 HA ASP 76 HA ASP 76 -4.612 -4.408 -1.736 427 1HB ASP 76 2HB ASP 76 -3.425 -2.118 -0.212 428 2HB ASP 76 1HB ASP 76 -2.561 -2.774 -1.601 429 H ARG 77 H ARG 77 -2.653 -5.419 -2.407 430 HA ARG 77 HA ARG 77 -1.340 -6.865 -0.217 431 1HB ARG 77 2HB ARG 77 -2.524 -7.820 -2.489 432 2HB ARG 77 1HB ARG 77 -0.833 -7.773 -2.964 433 1HG ARG 77 2HG ARG 77 -0.262 -9.463 -1.597 434 2HG ARG 77 1HG ARG 77 -1.372 -8.951 -0.324 435 1HD ARG 77 2HD ARG 77 -3.168 -9.722 -2.126 436 2HD ARG 77 1HD ARG 77 -1.829 -10.743 -2.645 437 HE ARG 77 HE ARG 77 -1.918 -11.173 0.017 438 1HH1 ARG 77 1HH1 ARG 77 -4.341 -11.295 -2.491 439 2HH1 ARG 77 2HH1 ARG 77 -5.282 -12.511 -1.697 440 1HH2 ARG 77 1HH2 ARG 77 -3.154 -12.776 1.063 441 2HH2 ARG 77 2HH2 ARG 77 -4.610 -13.352 0.320 442 H VAL 78 H VAL 78 0.124 -5.157 0.292 443 HA VAL 78 HA VAL 78 1.893 -3.978 -1.558 444 HB VAL 78 HB VAL 78 3.371 -3.644 0.542 445 1HG1 VAL 78 1HG1 VAL 78 1.952 -1.918 -0.451 446 2HG1 VAL 78 2HG1 VAL 78 1.971 -1.812 1.310 447 3HG1 VAL 78 3HG1 VAL 78 0.580 -2.512 0.482 448 1HG2 VAL 78 1HG2 VAL 78 1.153 -3.915 2.345 449 2HG2 VAL 78 2HG2 VAL 78 2.778 -4.589 2.463 450 3HG2 VAL 78 3HG2 VAL 78 1.519 -5.471 1.598 451 H MET 79 H MET 79 3.648 -4.755 -2.563 452 HA MET 79 HA MET 79 5.335 -6.741 -1.350 453 1HB MET 79 2HB MET 79 3.194 -7.707 -2.821 454 2HB MET 79 1HB MET 79 4.533 -7.761 -3.960 455 1HG MET 79 2HG MET 79 5.080 -8.809 -1.261 456 2HG MET 79 1HG MET 79 3.948 -9.734 -2.246 457 1HE MET 79 1HE MET 79 4.430 -9.592 -4.802 458 2HE MET 79 2HE MET 79 5.246 -11.153 -4.869 459 3HE MET 79 3HE MET 79 6.027 -9.722 -5.539 460 H ALA 80 H ALA 80 5.553 -4.040 -2.446 461 HA ALA 80 HA ALA 80 8.029 -4.226 -3.705 462 1HB ALA 80 1HB ALA 80 7.315 -4.966 -5.732 463 2HB ALA 80 2HB ALA 80 7.085 -3.236 -5.987 464 3HB ALA 80 3HB ALA 80 5.712 -4.255 -5.553 465 H ILE 81 H ILE 81 7.248 -2.689 -1.682 466 HA ILE 81 HA ILE 81 6.405 -0.075 -2.538 467 HB ILE 81 HB ILE 81 7.616 -0.807 0.124 468 1HG1 ILE 81 2HG1 ILE 81 4.702 -0.598 0.011 469 2HG1 ILE 81 1HG1 ILE 81 5.326 -1.937 -0.952 470 1HG2 ILE 81 1HG2 ILE 81 6.440 1.594 -1.021 471 2HG2 ILE 81 2HG2 ILE 81 7.432 1.396 0.424 472 3HG2 ILE 81 3HG2 ILE 81 5.692 1.121 0.506 473 1HD1 ILE 81 1HD1 ILE 81 6.193 -1.523 1.883 474 2HD1 ILE 81 2HD1 ILE 81 6.256 -2.988 0.903 475 3HD1 ILE 81 3HD1 ILE 81 4.705 -2.381 1.483 476 H ASN 82 H ASN 82 7.643 1.525 -3.247 477 HA ASN 82 HA ASN 82 9.503 2.570 -4.066 478 1HB ASN 82 2HB ASN 82 11.115 3.233 -2.288 479 2HB ASN 82 1HB ASN 82 9.435 3.505 -1.843 480 1HD2 ASN 82 1HD2 ASN 82 12.083 1.191 -1.518 481 2HD2 ASN 82 2HD2 ASN 82 11.628 0.625 0.056 482 H GLY 83 H GLY 83 9.516 -0.303 -4.465 483 1HA GLY 83 2HA GLY 83 11.202 -1.420 -5.756 484 2HA GLY 83 1HA GLY 83 12.424 -0.640 -4.765 485 H ILE 84 H ILE 84 11.502 -1.190 -2.222 486 HA ILE 84 HA ILE 84 12.383 -3.874 -1.896 487 HB ILE 84 HB ILE 84 11.065 -2.125 0.176 488 1HG1 ILE 84 2HG1 ILE 84 13.041 -1.091 -1.072 489 2HG1 ILE 84 1HG1 ILE 84 13.171 -1.175 0.681 490 1HG2 ILE 84 1HG2 ILE 84 12.560 -4.684 0.235 491 2HG2 ILE 84 2HG2 ILE 84 11.212 -4.132 1.231 492 3HG2 ILE 84 3HG2 ILE 84 12.844 -3.541 1.548 493 1HD1 ILE 84 1HD1 ILE 84 15.269 -1.780 -0.296 494 2HD1 ILE 84 2HD1 ILE 84 14.493 -2.987 -1.323 495 3HD1 ILE 84 3HD1 ILE 84 14.548 -3.219 0.424 496 HA PRO 85 HA PRO 85 8.193 -5.517 -2.214 497 1HB PRO 85 2HB PRO 85 8.850 -7.975 -2.995 498 2HB PRO 85 1HB PRO 85 9.047 -6.598 -4.085 499 1HG PRO 85 2HG PRO 85 11.101 -8.084 -2.516 500 2HG PRO 85 1HG PRO 85 11.221 -7.373 -4.135 501 1HD PRO 85 2HD PRO 85 12.139 -6.223 -1.744 502 2HD PRO 85 1HD PRO 85 11.937 -5.390 -3.296 503 H THR 86 H THR 86 10.029 -5.556 0.297 504 HA THR 86 HA THR 86 10.042 -6.497 2.364 505 HB THR 86 HB THR 86 7.966 -7.177 3.260 506 HG1 THR 86 1HG THR 86 6.987 -7.688 0.655 507 1HG2 THR 86 1HG2 THR 86 7.238 -5.416 0.933 508 2HG2 THR 86 2HG2 THR 86 7.885 -4.860 2.476 509 3HG2 THR 86 3HG2 THR 86 6.307 -5.644 2.413 510 H GLU 87 H GLU 87 11.648 -7.979 2.365 511 HA GLU 87 HA GLU 87 10.940 -10.727 1.571 512 1HB GLU 87 2HB GLU 87 12.710 -9.633 0.178 513 2HB GLU 87 1HB GLU 87 13.708 -9.514 1.620 514 1HG GLU 87 2HG GLU 87 14.428 -11.408 0.382 515 2HG GLU 87 1HG GLU 87 13.595 -11.991 1.821 516 H ASP 88 H ASP 88 12.980 -8.836 3.793 517 HA ASP 88 HA ASP 88 13.576 -11.006 5.508 518 1HB ASP 88 2HB ASP 88 13.665 -8.017 5.943 519 2HB ASP 88 1HB ASP 88 14.235 -9.187 7.130 520 H SER 89 H SER 89 11.747 -8.128 6.505 521 HA SER 89 HA SER 89 10.056 -9.869 8.153 522 1HB SER 89 2HB SER 89 11.202 -7.219 8.505 523 2HB SER 89 1HB SER 89 9.466 -7.225 8.818 524 HG SER 89 HG SER 89 11.523 -8.409 10.222 525 H THR 90 H THR 90 7.849 -8.340 8.540 526 HA THR 90 HA THR 90 6.733 -7.961 5.841 527 HB THR 90 HB THR 90 4.828 -8.876 7.883 528 HG1 THR 90 1HG THR 90 5.562 -11.050 7.731 529 1HG2 THR 90 1HG2 THR 90 5.456 -9.692 5.063 530 2HG2 THR 90 2HG2 THR 90 4.063 -8.781 5.649 531 3HG2 THR 90 3HG2 THR 90 4.239 -10.487 6.060 532 H PHE 91 H PHE 91 5.513 -7.549 9.167 533 HA PHE 91 HA PHE 91 4.181 -5.124 8.518 534 1HB PHE 91 2HB PHE 91 3.617 -6.808 10.380 535 2HB PHE 91 1HB PHE 91 4.871 -6.000 11.314 536 HD1 PHE 91 1HD PHE 91 4.639 -3.495 11.696 537 HD2 PHE 91 2HD PHE 91 1.457 -5.946 10.292 538 HE1 PHE 91 1HE PHE 91 3.016 -1.785 12.399 539 HE2 PHE 91 2HE PHE 91 -0.173 -4.240 10.992 540 HZ PHE 91 HZ PHE 91 0.608 -2.155 12.048 541 H GLU 92 H GLU 92 7.111 -5.845 10.398 542 HA GLU 92 HA GLU 92 7.711 -3.106 10.913 543 1HB GLU 92 2HB GLU 92 9.837 -3.934 11.771 544 2HB GLU 92 1HB GLU 92 8.510 -4.923 12.364 545 1HG GLU 92 2HG GLU 92 9.033 -6.671 10.826 546 2HG GLU 92 1HG GLU 92 10.225 -5.662 10.008 547 H GLU 93 H GLU 93 8.637 -5.420 8.440 548 HA GLU 93 HA GLU 93 10.720 -3.883 7.296 549 1HB GLU 93 2HB GLU 93 10.608 -6.244 6.859 550 2HB GLU 93 1HB GLU 93 8.990 -6.099 6.191 551 1HG GLU 93 2HG GLU 93 10.473 -6.379 4.378 552 2HG GLU 93 1HG GLU 93 9.961 -4.692 4.370 553 H ALA 94 H ALA 94 7.309 -4.342 6.372 554 HA ALA 94 HA ALA 94 7.284 -2.643 4.161 555 1HB ALA 94 1HB ALA 94 4.873 -2.569 4.427 556 2HB ALA 94 2HB ALA 94 5.016 -3.178 6.076 557 3HB ALA 94 3HB ALA 94 5.469 -4.204 4.715 558 H ASN 95 H ASN 95 6.414 -1.924 7.542 559 HA ASN 95 HA ASN 95 5.834 0.785 7.185 560 1HB ASN 95 2HB ASN 95 6.611 -0.916 9.510 561 2HB ASN 95 1HB ASN 95 6.693 0.832 9.708 562 1HD2 ASN 95 1HD2 ASN 95 4.844 -1.597 10.475 563 2HD2 ASN 95 2HD2 ASN 95 3.262 -0.906 10.305 564 H GLN 96 H GLN 96 8.887 -0.880 7.665 565 HA GLN 96 HA GLN 96 10.486 1.351 8.190 566 1HB GLN 96 2HB GLN 96 11.276 -0.901 8.613 567 2HB GLN 96 1HB GLN 96 11.173 -1.292 6.903 568 1HG GLN 96 2HG GLN 96 13.255 -0.628 6.625 569 2HG GLN 96 1HG GLN 96 12.812 0.995 7.153 570 1HE2 GLN 96 1HE2 GLN 96 13.281 1.649 9.219 571 2HE2 GLN 96 2HE2 GLN 96 14.292 0.737 10.292 572 H LEU 97 H LEU 97 9.426 -0.149 5.183 573 HA LEU 97 HA LEU 97 11.089 1.351 3.453 574 1HB LEU 97 2HB LEU 97 8.389 0.468 2.551 575 2HB LEU 97 1HB LEU 97 9.918 0.421 1.699 576 HG LEU 97 HG LEU 97 8.951 -1.480 3.826 577 1HD1 LEU 97 1HD1 LEU 97 8.053 -2.289 1.901 578 2HD1 LEU 97 2HD1 LEU 97 9.651 -3.030 1.800 579 3HD1 LEU 97 3HD1 LEU 97 9.300 -1.565 0.883 580 1HD2 LEU 97 1HD2 LEU 97 11.051 -2.568 3.792 581 2HD2 LEU 97 2HD2 LEU 97 11.392 -0.857 4.047 582 3HD2 LEU 97 3HD2 LEU 97 11.627 -1.574 2.452 583 H LEU 98 H LEU 98 7.726 1.808 4.510 584 HA LEU 98 HA LEU 98 7.449 4.285 3.105 585 1HB LEU 98 2HB LEU 98 5.264 4.354 3.892 586 2HB LEU 98 1HB LEU 98 5.600 2.639 3.741 587 HG LEU 98 HG LEU 98 6.300 3.011 6.305 588 1HD1 LEU 98 1HD1 LEU 98 5.766 5.222 6.678 589 2HD1 LEU 98 2HD1 LEU 98 4.291 4.405 7.198 590 3HD1 LEU 98 3HD1 LEU 98 4.363 5.171 5.611 591 1HD2 LEU 98 1HD2 LEU 98 4.179 2.027 6.893 592 2HD2 LEU 98 2HD2 LEU 98 4.735 1.339 5.366 593 3HD2 LEU 98 3HD2 LEU 98 3.468 2.567 5.373 594 H ARG 99 H ARG 99 8.602 3.356 6.220 595 HA ARG 99 HA ARG 99 8.210 5.855 7.528 596 1HB ARG 99 2HB ARG 99 9.703 3.350 8.096 597 2HB ARG 99 1HB ARG 99 10.228 4.800 8.940 598 1HG ARG 99 2HG ARG 99 7.871 5.107 9.709 599 2HG ARG 99 1HG ARG 99 7.504 3.528 9.016 600 1HD ARG 99 2HD ARG 99 9.699 3.947 11.029 601 2HD ARG 99 1HD ARG 99 8.037 3.593 11.500 602 HE ARG 99 HE ARG 99 9.044 1.708 9.609 603 1HH1 ARG 99 1HH1 ARG 99 9.057 2.567 12.990 604 2HH1 ARG 99 2HH1 ARG 99 9.375 0.952 13.528 605 1HH2 ARG 99 1HH2 ARG 99 9.463 -0.418 10.314 606 2HH2 ARG 99 2HH2 ARG 99 9.605 -0.743 12.010 607 H ASP 100 H ASP 100 10.808 4.448 5.622 608 HA ASP 100 HA ASP 100 12.674 6.547 6.166 609 1HB ASP 100 2HB ASP 100 12.598 4.293 4.174 610 2HB ASP 100 1HB ASP 100 13.873 5.507 4.143 611 H SER 101 H SER 101 9.903 6.456 4.312 612 HA SER 101 HA SER 101 10.701 7.923 2.029 613 1HB SER 101 2HB SER 101 7.948 7.993 3.258 614 2HB SER 101 1HB SER 101 8.388 8.168 1.559 615 HG SER 101 HG SER 101 7.542 6.060 2.209 616 H SER 102 H SER 102 10.217 8.818 5.297 617 HA SER 102 HA SER 102 9.360 11.463 5.062 618 1HB SER 102 2HB SER 102 11.122 10.124 7.120 619 2HB SER 102 1HB SER 102 10.543 11.782 7.280 620 HG SER 102 HG SER 102 8.802 9.591 6.859 621 H ILE 103 H ILE 103 12.534 10.030 4.648 622 HA ILE 103 HA ILE 103 14.141 12.286 4.781 623 HB ILE 103 HB ILE 103 14.466 9.912 2.962 624 1HG1 ILE 103 2HG1 ILE 103 14.175 9.393 5.380 625 2HG1 ILE 103 1HG1 ILE 103 15.757 8.964 4.756 626 1HG2 ILE 103 1HG2 ILE 103 16.813 10.468 2.910 627 2HG2 ILE 103 2HG2 ILE 103 16.551 11.831 3.999 628 3HG2 ILE 103 3HG2 ILE 103 15.881 11.863 2.368 629 1HD1 ILE 103 1HD1 ILE 103 15.925 9.961 6.957 630 2HD1 ILE 103 2HD1 ILE 103 15.116 11.412 6.366 631 3HD1 ILE 103 3HD1 ILE 103 16.708 10.975 5.746 632 H THR 104 H THR 104 12.877 10.781 1.802 633 HA THR 104 HA THR 104 13.387 13.214 0.310 634 HB THR 104 HB THR 104 13.895 11.130 -0.790 635 HG1 THR 104 1HG THR 104 12.962 12.811 -2.076 636 1HG2 THR 104 1HG2 THR 104 12.713 9.297 -0.472 637 2HG2 THR 104 2HG2 THR 104 11.383 10.020 -1.379 638 3HG2 THR 104 3HG2 THR 104 11.463 10.211 0.372 639 H SER 105 H SER 105 10.914 12.098 2.232 640 HA SER 105 HA SER 105 8.786 12.780 2.615 641 1HB SER 105 2HB SER 105 9.763 15.041 2.417 642 2HB SER 105 1HB SER 105 9.462 15.009 0.679 643 HG SER 105 HG SER 105 7.806 15.751 2.596 644 H LYS 106 H LYS 106 9.472 10.988 0.314 645 HA LYS 106 HA LYS 106 6.829 10.949 -0.838 646 1HB LYS 106 2HB LYS 106 8.886 12.269 -2.240 647 2HB LYS 106 1HB LYS 106 8.654 10.730 -3.057 648 1HG LYS 106 2HG LYS 106 6.106 11.892 -2.475 649 2HG LYS 106 1HG LYS 106 7.124 13.073 -3.301 650 1HD LYS 106 2HD LYS 106 7.643 11.225 -4.972 651 2HD LYS 106 1HD LYS 106 6.311 10.332 -4.234 652 1HE LYS 106 2HE LYS 106 5.137 11.385 -5.868 653 2HE LYS 106 1HE LYS 106 5.065 12.652 -4.644 654 1HZ LYS 106 1HZ LYS 106 6.539 12.575 -7.150 655 2HZ LYS 106 2HZ LYS 106 7.338 13.290 -5.842 656 3HZ LYS 106 3HZ LYS 106 5.836 13.887 -6.345 657 H VAL 107 H VAL 107 6.290 8.988 -1.837 658 HA VAL 107 HA VAL 107 8.268 6.876 -1.994 659 HB VAL 107 HB VAL 107 7.560 6.846 0.379 660 1HG1 VAL 107 1HG1 VAL 107 5.397 6.574 1.088 661 2HG1 VAL 107 2HG1 VAL 107 4.877 5.840 -0.428 662 3HG1 VAL 107 3HG1 VAL 107 5.152 7.579 -0.341 663 1HG2 VAL 107 1HG2 VAL 107 8.112 4.779 -1.129 664 2HG2 VAL 107 2HG2 VAL 107 6.416 4.385 -0.854 665 3HG2 VAL 107 3HG2 VAL 107 7.515 4.551 0.516 666 H THR 108 H THR 108 7.449 4.931 -3.006 667 HA THR 108 HA THR 108 4.969 5.383 -4.533 668 HB THR 108 HB THR 108 6.458 3.622 -6.059 669 HG1 THR 108 1HG THR 108 8.486 4.037 -5.802 670 1HG2 THR 108 1HG2 THR 108 6.906 5.573 -7.540 671 2HG2 THR 108 2HG2 THR 108 6.212 6.609 -6.294 672 3HG2 THR 108 3HG2 THR 108 5.217 5.379 -7.072 673 H LEU 109 H LEU 109 3.486 4.101 -3.660 674 HA LEU 109 HA LEU 109 4.171 1.562 -2.473 675 1HB LEU 109 2HB LEU 109 1.694 3.210 -2.706 676 2HB LEU 109 1HB LEU 109 1.544 1.510 -2.311 677 HG LEU 109 HG LEU 109 1.544 3.043 -0.341 678 1HD1 LEU 109 1HD1 LEU 109 2.210 0.622 -0.277 679 2HD1 LEU 109 2HD1 LEU 109 2.868 1.619 1.020 680 3HD1 LEU 109 3HD1 LEU 109 3.889 1.159 -0.342 681 1HD2 LEU 109 1HD2 LEU 109 4.382 3.509 -1.237 682 2HD2 LEU 109 2HD2 LEU 109 3.791 3.877 0.384 683 3HD2 LEU 109 3HD2 LEU 109 3.110 4.709 -1.014 684 H GLU 110 H GLU 110 4.085 -0.364 -3.410 685 HA GLU 110 HA GLU 110 2.614 -0.625 -5.954 686 1HB GLU 110 2HB GLU 110 5.205 -0.789 -5.956 687 2HB GLU 110 1HB GLU 110 4.952 -2.363 -5.215 688 1HG GLU 110 2HG GLU 110 3.851 -3.200 -7.107 689 2HG GLU 110 1HG GLU 110 3.623 -1.589 -7.788 690 H ILE 111 H ILE 111 0.746 -1.611 -5.396 691 HA ILE 111 HA ILE 111 0.934 -4.041 -3.756 692 HB ILE 111 HB ILE 111 -1.399 -3.504 -3.036 693 1HG1 ILE 111 2HG1 ILE 111 -1.701 -1.810 -4.928 694 2HG1 ILE 111 1HG1 ILE 111 -2.345 -1.375 -3.346 695 1HG2 ILE 111 1HG2 ILE 111 -0.450 -1.431 -1.607 696 2HG2 ILE 111 2HG2 ILE 111 1.056 -2.122 -2.213 697 3HG2 ILE 111 3HG2 ILE 111 -0.057 -3.117 -1.276 698 1HD1 ILE 111 1HD1 ILE 111 -0.628 0.115 -4.956 699 2HD1 ILE 111 2HD1 ILE 111 0.363 -0.457 -3.614 700 3HD1 ILE 111 3HD1 ILE 111 -1.111 0.457 -3.296 701 H GLU 112 H GLU 112 -0.914 -5.518 -4.053 702 HA GLU 112 HA GLU 112 -1.920 -5.493 -6.821 703 1HB GLU 112 2HB GLU 112 -0.125 -7.239 -6.271 704 2HB GLU 112 1HB GLU 112 -1.337 -8.002 -5.252 705 1HG GLU 112 2HG GLU 112 -2.502 -8.809 -7.003 706 2HG GLU 112 1HG GLU 112 -2.178 -7.397 -8.009 707 H PHE 113 H PHE 113 -4.074 -5.583 -7.005 708 HA PHE 113 HA PHE 113 -5.630 -6.520 -4.685 709 1HB PHE 113 2HB PHE 113 -7.239 -4.743 -5.040 710 2HB PHE 113 1HB PHE 113 -5.635 -4.039 -4.854 711 HD1 PHE 113 1HD PHE 113 -8.560 -4.066 -6.792 712 HD2 PHE 113 2HD PHE 113 -4.340 -3.613 -7.088 713 HE1 PHE 113 1HE PHE 113 -8.839 -2.902 -8.939 714 HE2 PHE 113 2HE PHE 113 -4.610 -2.445 -9.236 715 HZ PHE 113 HZ PHE 113 -6.867 -2.094 -10.168 716 H ASP 114 H ASP 114 -7.631 -7.495 -5.128 717 HA ASP 114 HA ASP 114 -7.865 -8.520 -7.872 718 1HB ASP 114 2HB ASP 114 -9.117 -9.657 -5.367 719 2HB ASP 114 1HB ASP 114 -9.020 -10.422 -6.951 720 H VAL 115 H VAL 115 -9.765 -8.369 -9.002 721 HA VAL 115 HA VAL 115 -12.208 -7.481 -7.802 722 HB VAL 115 HB VAL 115 -12.087 -5.464 -9.642 723 1HG1 VAL 115 1HG1 VAL 115 -12.615 -5.686 -7.015 724 2HG1 VAL 115 2HG1 VAL 115 -12.517 -4.144 -7.869 725 3HG1 VAL 115 3HG1 VAL 115 -11.131 -4.736 -6.953 726 1HG2 VAL 115 1HG2 VAL 115 -9.530 -6.098 -9.669 727 2HG2 VAL 115 2HG2 VAL 115 -9.503 -5.108 -8.213 728 3HG2 VAL 115 3HG2 VAL 115 -10.056 -4.417 -9.738 729 H ALA 116 H ALA 116 -13.756 -6.746 -9.720 730 HA ALA 116 HA ALA 116 -13.322 -7.809 -12.290 731 1HB ALA 116 1HB ALA 116 -15.333 -9.541 -11.011 732 2HB ALA 116 2HB ALA 116 -13.657 -9.844 -10.553 733 3HB ALA 116 3HB ALA 116 -14.134 -9.913 -12.249 734 H GLU 117 H GLU 117 -14.308 -5.432 -11.363 735 HA GLU 117 HA GLU 117 -17.195 -5.571 -11.904 736 1HB GLU 117 2HB GLU 117 -15.664 -3.245 -10.733 737 2HB GLU 117 1HB GLU 117 -17.410 -3.436 -10.809 738 1HG GLU 117 2HG GLU 117 -17.352 -5.216 -9.216 739 2HG GLU 117 1HG GLU 117 -15.590 -5.246 -9.245 740 H SER 118 H SER 118 -15.473 -5.864 -14.032 741 HA SER 118 HA SER 118 -14.811 -3.503 -15.394 742 1HB SER 118 2HB SER 118 -14.905 -4.997 -17.456 743 2HB SER 118 1HB SER 118 -13.831 -5.530 -16.164 744 HG SER 118 HG SER 118 -15.273 -7.087 -15.599 Start of MODEL 19 1 1H GLN 18 1HT GLN 18 -13.931 -7.481 -17.937 2 2H GLN 18 2HT GLN 18 -15.334 -7.824 -18.863 3 3H GLN 18 3HT GLN 18 -13.802 -7.709 -19.630 4 HA GLN 18 HA GLN 18 -14.697 -9.980 -19.264 5 1HB GLN 18 2HB GLN 18 -12.103 -8.834 -19.054 6 2HB GLN 18 1HB GLN 18 -12.186 -10.159 -17.901 7 1HG GLN 18 2HG GLN 18 -13.311 -10.860 -20.482 8 2HG GLN 18 1HG GLN 18 -11.625 -10.358 -20.589 9 1HE2 GLN 18 1HE2 GLN 18 -11.127 -12.519 -21.193 10 2HE2 GLN 18 2HE2 GLN 18 -10.997 -13.761 -19.991 11 H VAL 19 H VAL 19 -14.599 -11.769 -17.700 12 HA VAL 19 HA VAL 19 -15.952 -11.120 -15.303 13 HB VAL 19 HB VAL 19 -16.268 -13.266 -16.463 14 1HG1 VAL 19 1HG1 VAL 19 -13.878 -13.574 -17.091 15 2HG1 VAL 19 2HG1 VAL 19 -14.626 -15.012 -16.395 16 3HG1 VAL 19 3HG1 VAL 19 -13.542 -14.021 -15.417 17 1HG2 VAL 19 1HG2 VAL 19 -15.660 -14.671 -14.221 18 2HG2 VAL 19 2HG2 VAL 19 -17.085 -13.650 -14.404 19 3HG2 VAL 19 3HG2 VAL 19 -15.646 -13.019 -13.603 20 H VAL 20 H VAL 20 -15.203 -10.606 -13.354 21 HA VAL 20 HA VAL 20 -13.799 -10.155 -11.630 22 HB VAL 20 HB VAL 20 -12.551 -12.659 -12.725 23 1HG1 VAL 20 1HG1 VAL 20 -10.728 -11.518 -11.670 24 2HG1 VAL 20 2HG1 VAL 20 -11.278 -12.786 -10.574 25 3HG1 VAL 20 3HG1 VAL 20 -11.726 -11.106 -10.275 26 1HG2 VAL 20 1HG2 VAL 20 -13.736 -12.531 -10.029 27 2HG2 VAL 20 2HG2 VAL 20 -13.840 -13.791 -11.258 28 3HG2 VAL 20 3HG2 VAL 20 -14.851 -12.351 -11.383 29 H HIS 21 H HIS 21 -11.723 -9.253 -11.072 30 HA HIS 21 HA HIS 21 -9.831 -8.785 -13.222 31 1HB HIS 21 2HB HIS 21 -11.730 -6.748 -12.255 32 2HB HIS 21 1HB HIS 21 -10.054 -6.219 -12.335 33 HD1 HIS 21 1HD HIS 21 -8.918 -6.296 -14.725 34 HD2 HIS 21 2HD HIS 21 -13.021 -6.951 -14.678 35 HE1 HIS 21 1HE HIS 21 -9.672 -6.006 -17.106 36 HE2 HIS 21 2HE HIS 21 -12.170 -6.332 -17.041 37 H THR 22 H THR 22 -7.843 -7.799 -12.488 38 HA THR 22 HA THR 22 -7.223 -7.105 -9.873 39 HB THR 22 HB THR 22 -7.828 -9.490 -9.398 40 HG1 THR 22 1HG THR 22 -5.956 -9.880 -8.174 41 1HG2 THR 22 1HG2 THR 22 -6.279 -10.060 -11.653 42 2HG2 THR 22 2HG2 THR 22 -7.033 -11.203 -10.541 43 3HG2 THR 22 3HG2 THR 22 -5.374 -10.669 -10.268 44 H GLU 23 H GLU 23 -5.076 -6.474 -9.681 45 HA GLU 23 HA GLU 23 -2.970 -7.339 -11.313 46 1HB GLU 23 2HB GLU 23 -2.732 -5.429 -12.838 47 2HB GLU 23 1HB GLU 23 -4.223 -6.311 -13.139 48 1HG GLU 23 2HG GLU 23 -5.541 -4.629 -12.181 49 2HG GLU 23 1HG GLU 23 -4.150 -3.862 -11.415 50 H THR 24 H THR 24 -1.112 -5.685 -11.298 51 HA THR 24 HA THR 24 -0.927 -4.669 -8.586 52 HB THR 24 HB THR 24 1.480 -4.211 -9.291 53 HG1 THR 24 1HG THR 24 2.153 -5.175 -11.194 54 1HG2 THR 24 1HG2 THR 24 2.069 -6.677 -9.481 55 2HG2 THR 24 2HG2 THR 24 0.339 -6.979 -9.320 56 3HG2 THR 24 3HG2 THR 24 1.213 -6.154 -8.030 57 H THR 25 H THR 25 -0.404 -2.533 -8.049 58 HA THR 25 HA THR 25 -0.729 -0.559 -10.201 59 HB THR 25 HB THR 25 -2.828 -0.444 -9.153 60 HG1 THR 25 1HG THR 25 -1.868 1.603 -9.261 61 1HG2 THR 25 1HG2 THR 25 -1.747 -1.685 -6.999 62 2HG2 THR 25 2HG2 THR 25 -3.351 -0.960 -7.053 63 3HG2 THR 25 3HG2 THR 25 -1.995 -0.051 -6.389 64 H GLU 26 H GLU 26 0.105 1.558 -9.690 65 HA GLU 26 HA GLU 26 2.384 1.447 -7.829 66 1HB GLU 26 2HB GLU 26 2.634 1.767 -10.467 67 2HB GLU 26 1HB GLU 26 2.300 3.441 -10.046 68 1HG GLU 26 2HG GLU 26 4.180 3.035 -8.264 69 2HG GLU 26 1HG GLU 26 4.647 1.746 -9.374 70 H VAL 27 H VAL 27 1.534 2.337 -6.038 71 HA VAL 27 HA VAL 27 0.068 4.862 -6.295 72 HB VAL 27 HB VAL 27 -0.084 4.062 -3.627 73 1HG1 VAL 27 1HG1 VAL 27 -2.260 3.232 -5.444 74 2HG1 VAL 27 2HG1 VAL 27 -1.772 4.926 -5.519 75 3HG1 VAL 27 3HG1 VAL 27 -2.312 4.231 -3.990 76 1HG2 VAL 27 1HG2 VAL 27 -0.551 1.670 -5.406 77 2HG2 VAL 27 2HG2 VAL 27 -0.866 1.767 -3.674 78 3HG2 VAL 27 3HG2 VAL 27 0.789 1.845 -4.276 79 H VAL 28 H VAL 28 1.497 6.487 -6.289 80 HA VAL 28 HA VAL 28 3.825 6.451 -4.577 81 HB VAL 28 HB VAL 28 2.834 8.762 -6.242 82 1HG1 VAL 28 1HG1 VAL 28 4.512 9.689 -5.036 83 2HG1 VAL 28 2HG1 VAL 28 5.500 8.944 -6.293 84 3HG1 VAL 28 3HG1 VAL 28 5.302 8.140 -4.736 85 1HG2 VAL 28 1HG2 VAL 28 4.970 7.373 -7.514 86 2HG2 VAL 28 2HG2 VAL 28 3.335 7.663 -8.106 87 3HG2 VAL 28 3HG2 VAL 28 3.686 6.218 -7.159 88 H LEU 29 H LEU 29 3.699 6.996 -2.497 89 HA LEU 29 HA LEU 29 1.633 8.913 -1.674 90 1HB LEU 29 2HB LEU 29 2.258 6.401 -0.678 91 2HB LEU 29 1HB LEU 29 2.987 7.498 0.479 92 HG LEU 29 HG LEU 29 0.802 6.969 1.269 93 1HD1 LEU 29 1HD1 LEU 29 0.434 9.661 0.002 94 2HD1 LEU 29 2HD1 LEU 29 1.618 9.395 1.283 95 3HD1 LEU 29 3HD1 LEU 29 -0.093 9.099 1.589 96 1HD2 LEU 29 1HD2 LEU 29 -0.136 7.721 -1.494 97 2HD2 LEU 29 2HD2 LEU 29 -1.212 7.481 -0.118 98 3HD2 LEU 29 3HD2 LEU 29 -0.234 6.141 -0.718 99 H THR 30 H THR 30 2.200 10.843 -0.907 100 HA THR 30 HA THR 30 5.050 11.317 -0.352 101 HB THR 30 HB THR 30 2.926 13.292 -1.210 102 HG1 THR 30 1HG THR 30 4.117 13.293 -3.163 103 1HG2 THR 30 1HG2 THR 30 5.076 14.008 0.171 104 2HG2 THR 30 2HG2 THR 30 4.426 14.978 -1.151 105 3HG2 THR 30 3HG2 THR 30 5.804 13.914 -1.431 106 H ALA 31 H ALA 31 5.666 12.086 1.591 107 HA ALA 31 HA ALA 31 3.904 11.967 3.787 108 1HB ALA 31 1HB ALA 31 6.566 11.868 3.564 109 2HB ALA 31 2HB ALA 31 5.746 12.248 5.079 110 3HB ALA 31 3HB ALA 31 6.387 13.547 4.075 111 H ASP 32 H ASP 32 3.220 13.652 5.207 112 HA ASP 32 HA ASP 32 3.123 16.327 3.991 113 1HB ASP 32 2HB ASP 32 0.959 14.703 3.999 114 2HB ASP 32 1HB ASP 32 0.756 15.493 5.561 115 HA PRO 33 HA PRO 33 4.496 17.542 8.035 116 1HB PRO 33 2HB PRO 33 4.204 20.210 7.796 117 2HB PRO 33 1HB PRO 33 5.471 19.323 6.939 118 1HG PRO 33 2HG PRO 33 2.827 20.299 5.929 119 2HG PRO 33 1HG PRO 33 4.416 20.364 5.145 120 1HD PRO 33 2HD PRO 33 2.537 18.479 4.562 121 2HD PRO 33 1HD PRO 33 4.281 18.193 4.414 122 H VAL 34 H VAL 34 2.139 16.428 8.414 123 HA VAL 34 HA VAL 34 0.810 18.247 10.242 124 HB VAL 34 HB VAL 34 -0.828 16.803 8.159 125 1HG1 VAL 34 1HG1 VAL 34 -1.432 18.502 10.519 126 2HG1 VAL 34 2HG1 VAL 34 -2.278 17.084 9.897 127 3HG1 VAL 34 3HG1 VAL 34 -2.472 18.648 9.102 128 1HG2 VAL 34 1HG2 VAL 34 -1.278 19.111 7.277 129 2HG2 VAL 34 2HG2 VAL 34 0.351 18.506 6.988 130 3HG2 VAL 34 3HG2 VAL 34 0.062 19.678 8.274 131 H THR 35 H THR 35 0.105 15.100 8.709 132 HA THR 35 HA THR 35 0.258 13.863 11.372 133 HB THR 35 HB THR 35 -2.086 14.123 10.937 134 HG1 THR 35 1HG THR 35 -1.547 12.108 11.780 135 1HG2 THR 35 1HG2 THR 35 -2.083 14.461 8.542 136 2HG2 THR 35 2HG2 THR 35 -3.191 13.161 8.985 137 3HG2 THR 35 3HG2 THR 35 -1.616 12.778 8.289 138 H GLY 36 H GLY 36 1.949 13.986 8.795 139 1HA GLY 36 2HA GLY 36 3.473 12.537 7.861 140 2HA GLY 36 1HA GLY 36 2.885 11.296 8.954 141 H PHE 37 H PHE 37 1.979 9.601 8.010 142 HA PHE 37 HA PHE 37 0.833 9.954 5.320 143 1HB PHE 37 2HB PHE 37 2.341 7.679 6.576 144 2HB PHE 37 1HB PHE 37 1.275 7.399 5.203 145 HD1 PHE 37 1HD PHE 37 1.768 8.422 3.026 146 HD2 PHE 37 2HD PHE 37 4.442 8.769 6.317 147 HE1 PHE 37 1HE PHE 37 3.562 9.108 1.490 148 HE2 PHE 37 2HE PHE 37 6.242 9.456 4.786 149 HZ PHE 37 HZ PHE 37 5.802 9.626 2.368 150 H GLY 38 H GLY 38 0.324 8.646 8.520 151 1HA GLY 38 2HA GLY 38 -1.571 7.882 9.565 152 2HA GLY 38 1HA GLY 38 -2.476 8.706 8.304 153 H ILE 39 H ILE 39 -0.195 6.253 7.419 154 HA ILE 39 HA ILE 39 -2.412 4.363 6.969 155 HB ILE 39 HB ILE 39 -1.732 5.357 4.839 156 1HG1 ILE 39 2HG1 ILE 39 -0.542 2.643 4.634 157 2HG1 ILE 39 1HG1 ILE 39 -2.170 2.746 5.307 158 1HG2 ILE 39 1HG2 ILE 39 0.744 5.541 5.831 159 2HG2 ILE 39 2HG2 ILE 39 0.395 5.567 4.104 160 3HG2 ILE 39 3HG2 ILE 39 0.927 4.072 4.871 161 1HD1 ILE 39 1HD1 ILE 39 -1.476 2.654 2.632 162 2HD1 ILE 39 2HD1 ILE 39 -1.908 4.340 2.914 163 3HD1 ILE 39 3HD1 ILE 39 -3.056 3.058 3.301 164 H GLN 40 H GLN 40 -2.036 2.239 7.447 165 HA GLN 40 HA GLN 40 0.676 1.484 8.279 166 1HB GLN 40 2HB GLN 40 -1.744 1.619 9.942 167 2HB GLN 40 1HB GLN 40 -0.867 0.099 10.062 168 1HG GLN 40 2HG GLN 40 -0.095 1.572 11.774 169 2HG GLN 40 1HG GLN 40 1.187 1.371 10.582 170 1HE2 GLN 40 1HE2 GLN 40 -1.595 3.483 11.221 171 2HE2 GLN 40 2HE2 GLN 40 -0.787 4.959 10.803 172 H LEU 41 H LEU 41 1.179 -0.710 8.119 173 HA LEU 41 HA LEU 41 -0.706 -2.283 6.490 174 1HB LEU 41 2HB LEU 41 2.241 -2.808 6.529 175 2HB LEU 41 1HB LEU 41 1.064 -3.196 5.287 176 HG LEU 41 HG LEU 41 1.090 -0.387 5.459 177 1HD1 LEU 41 1HD1 LEU 41 3.770 -1.597 5.879 178 2HD1 LEU 41 2HD1 LEU 41 3.113 -0.066 6.458 179 3HD1 LEU 41 3HD1 LEU 41 3.636 -0.222 4.782 180 1HD2 LEU 41 1HD2 LEU 41 1.356 -0.542 3.221 181 2HD2 LEU 41 2HD2 LEU 41 1.013 -2.246 3.524 182 3HD2 LEU 41 3HD2 LEU 41 2.681 -1.700 3.349 183 H GLN 42 H GLN 42 -0.280 -4.710 6.693 184 HA GLN 42 HA GLN 42 0.881 -5.696 9.098 185 1HB GLN 42 2HB GLN 42 -1.487 -4.566 9.625 186 2HB GLN 42 1HB GLN 42 -2.055 -6.152 9.121 187 1HG GLN 42 2HG GLN 42 -0.048 -6.814 10.831 188 2HG GLN 42 1HG GLN 42 -0.667 -5.333 11.561 189 1HE2 GLN 42 1HE2 GLN 42 -2.125 -8.108 9.890 190 2HE2 GLN 42 2HE2 GLN 42 -3.293 -8.453 11.124 191 H GLY 43 H GLY 43 0.732 -8.004 9.292 192 1HA GLY 43 2HA GLY 43 0.235 -9.267 6.689 193 2HA GLY 43 1HA GLY 43 1.238 -9.921 7.975 194 H SER 44 H SER 44 -1.923 -9.718 6.635 195 HA SER 44 HA SER 44 -2.790 -11.999 8.117 196 1HB SER 44 2HB SER 44 -3.689 -9.285 8.939 197 2HB SER 44 1HB SER 44 -4.910 -10.556 8.885 198 HG SER 44 HG SER 44 -2.435 -10.885 10.214 199 H VAL 45 H VAL 45 -3.196 -12.904 6.127 200 HA VAL 45 HA VAL 45 -5.237 -11.604 4.458 201 HB VAL 45 HB VAL 45 -3.470 -13.920 3.673 202 1HG1 VAL 45 1HG1 VAL 45 -4.077 -12.970 1.364 203 2HG1 VAL 45 2HG1 VAL 45 -5.377 -12.128 2.210 204 3HG1 VAL 45 3HG1 VAL 45 -5.303 -13.890 2.235 205 1HG2 VAL 45 1HG2 VAL 45 -2.186 -12.202 2.382 206 2HG2 VAL 45 2HG2 VAL 45 -2.002 -12.093 4.133 207 3HG2 VAL 45 3HG2 VAL 45 -3.055 -10.960 3.285 208 H PHE 46 H PHE 46 -4.962 -13.936 6.801 209 HA PHE 46 HA PHE 46 -7.528 -15.087 6.072 210 1HB PHE 46 2HB PHE 46 -5.029 -16.515 5.767 211 2HB PHE 46 1HB PHE 46 -6.053 -17.314 6.955 212 HD1 PHE 46 1HD PHE 46 -8.394 -17.962 6.288 213 HD2 PHE 46 2HD PHE 46 -5.464 -16.696 3.475 214 HE1 PHE 46 1HE PHE 46 -9.700 -18.989 4.473 215 HE2 PHE 46 2HE PHE 46 -6.764 -17.720 1.654 216 HZ PHE 46 HZ PHE 46 -8.885 -18.868 2.152 217 H ALA 47 H ALA 47 -6.645 -13.271 8.111 218 HA ALA 47 HA ALA 47 -6.139 -14.367 10.597 219 1HB ALA 47 1HB ALA 47 -6.202 -11.930 9.989 220 2HB ALA 47 2HB ALA 47 -6.932 -12.339 11.542 221 3HB ALA 47 3HB ALA 47 -7.957 -12.013 10.143 222 H THR 48 H THR 48 -7.210 -15.760 11.816 223 HA THR 48 HA THR 48 -9.827 -15.620 12.608 224 HB THR 48 HB THR 48 -10.410 -17.876 11.160 225 HG1 THR 48 1HG THR 48 -8.515 -17.311 9.849 226 1HG2 THR 48 1HG2 THR 48 -12.212 -16.731 10.576 227 2HG2 THR 48 2HG2 THR 48 -11.260 -15.520 9.718 228 3HG2 THR 48 3HG2 THR 48 -11.518 -15.370 11.457 229 H GLU 49 H GLU 49 -7.150 -17.663 11.821 230 HA GLU 49 HA GLU 49 -7.499 -19.060 14.369 231 1HB GLU 49 2HB GLU 49 -7.827 -20.244 11.770 232 2HB GLU 49 1HB GLU 49 -6.442 -20.968 12.576 233 1HG GLU 49 2HG GLU 49 -7.736 -22.134 13.947 234 2HG GLU 49 1HG GLU 49 -8.695 -20.714 14.366 235 H THR 50 H THR 50 -5.372 -18.308 11.643 236 HA THR 50 HA THR 50 -3.206 -17.714 13.357 237 HB THR 50 HB THR 50 -2.878 -20.067 13.529 238 HG1 THR 50 1HG THR 50 -0.897 -19.350 13.227 239 1HG2 THR 50 1HG2 THR 50 -2.389 -21.315 11.284 240 2HG2 THR 50 2HG2 THR 50 -3.486 -20.101 10.622 241 3HG2 THR 50 3HG2 THR 50 -4.033 -21.179 11.907 242 H LEU 51 H LEU 51 -1.224 -17.120 12.110 243 HA LEU 51 HA LEU 51 -2.030 -15.923 9.557 244 1HB LEU 51 2HB LEU 51 -1.244 -14.334 11.184 245 2HB LEU 51 1HB LEU 51 0.211 -15.271 11.467 246 HG LEU 51 HG LEU 51 0.900 -14.799 9.108 247 1HD1 LEU 51 1HD1 LEU 51 -0.278 -12.741 8.129 248 2HD1 LEU 51 2HD1 LEU 51 -1.612 -13.170 9.200 249 3HD1 LEU 51 3HD1 LEU 51 -1.071 -14.308 7.968 250 1HD2 LEU 51 1HD2 LEU 51 0.637 -12.803 11.267 251 2HD2 LEU 51 2HD2 LEU 51 1.080 -12.186 9.675 252 3HD2 LEU 51 3HD2 LEU 51 2.076 -13.416 10.454 253 H SER 52 H SER 52 -0.920 -16.258 7.681 254 HA SER 52 HA SER 52 1.593 -17.613 7.574 255 1HB SER 52 2HB SER 52 -0.805 -19.186 7.591 256 2HB SER 52 1HB SER 52 -0.005 -19.346 6.028 257 HG SER 52 HG SER 52 1.951 -19.781 7.289 258 H SER 53 H SER 53 0.138 -15.252 6.537 259 HA SER 53 HA SER 53 0.723 -15.659 3.683 260 1HB SER 53 2HB SER 53 -1.511 -13.979 4.843 261 2HB SER 53 1HB SER 53 -1.096 -14.079 3.133 262 HG SER 53 HG SER 53 -1.515 -16.380 3.333 263 HA PRO 54 HA PRO 54 3.473 -12.227 3.793 264 1HB PRO 54 2HB PRO 54 2.118 -11.126 1.398 265 2HB PRO 54 1HB PRO 54 3.808 -11.587 1.622 266 1HG PRO 54 2HG PRO 54 2.154 -13.089 0.160 267 2HG PRO 54 1HG PRO 54 3.393 -13.824 1.195 268 1HD PRO 54 2HD PRO 54 0.450 -13.553 1.658 269 2HD PRO 54 1HD PRO 54 1.532 -14.911 2.035 270 HA PRO 55 HA PRO 55 1.497 -8.615 5.397 271 1HB PRO 55 2HB PRO 55 3.033 -6.566 4.590 272 2HB PRO 55 1HB PRO 55 3.627 -7.787 5.723 273 1HG PRO 55 2HG PRO 55 4.109 -7.540 2.779 274 2HG PRO 55 1HG PRO 55 5.254 -7.950 4.070 275 1HD PRO 55 2HD PRO 55 4.067 -9.805 2.446 276 2HD PRO 55 1HD PRO 55 4.626 -10.153 4.094 277 H LEU 56 H LEU 56 0.539 -6.442 4.888 278 HA LEU 56 HA LEU 56 0.057 -5.584 2.260 279 1HB LEU 56 2HB LEU 56 -2.237 -6.278 1.921 280 2HB LEU 56 1HB LEU 56 -1.198 -7.681 2.083 281 HG LEU 56 HG LEU 56 -2.635 -6.670 4.498 282 1HD1 LEU 56 1HD1 LEU 56 -4.544 -8.138 3.917 283 2HD1 LEU 56 2HD1 LEU 56 -3.870 -8.317 2.299 284 3HD1 LEU 56 3HD1 LEU 56 -4.396 -6.731 2.864 285 1HD2 LEU 56 1HD2 LEU 56 -1.120 -8.418 4.933 286 2HD2 LEU 56 2HD2 LEU 56 -1.623 -9.319 3.505 287 3HD2 LEU 56 3HD2 LEU 56 -2.710 -9.180 4.887 288 H ILE 57 H ILE 57 -1.455 -3.808 2.149 289 HA ILE 57 HA ILE 57 -1.406 -2.189 4.480 290 HB ILE 57 HB ILE 57 -2.980 -1.795 1.930 291 1HG1 ILE 57 2HG1 ILE 57 -0.490 -0.280 2.505 292 2HG1 ILE 57 1HG1 ILE 57 -0.307 -1.972 2.055 293 1HG2 ILE 57 1HG2 ILE 57 -2.469 0.689 2.836 294 2HG2 ILE 57 2HG2 ILE 57 -2.632 -0.173 4.366 295 3HG2 ILE 57 3HG2 ILE 57 -3.951 -0.198 3.194 296 1HD1 ILE 57 1HD1 ILE 57 -1.975 -0.119 0.405 297 2HD1 ILE 57 2HD1 ILE 57 -1.197 -1.633 -0.057 298 3HD1 ILE 57 3HD1 ILE 57 -0.221 -0.189 0.216 299 H SER 58 H SER 58 -3.129 -1.473 5.790 300 HA SER 58 HA SER 58 -5.806 -2.310 5.433 301 1HB SER 58 2HB SER 58 -4.293 -4.395 6.290 302 2HB SER 58 1HB SER 58 -4.793 -3.701 7.833 303 HG SER 58 HG SER 58 -6.943 -3.909 7.177 304 H TYR 59 H TYR 59 -4.776 0.149 5.963 305 HA TYR 59 HA TYR 59 -6.270 0.973 8.185 306 1HB TYR 59 2HB TYR 59 -4.385 -0.105 9.421 307 2HB TYR 59 1HB TYR 59 -3.292 1.066 8.689 308 HD1 TYR 59 1HD TYR 59 -3.070 3.246 9.583 309 HD2 TYR 59 2HD TYR 59 -6.205 0.715 10.950 310 HE1 TYR 59 1HE TYR 59 -3.557 4.837 11.394 311 HE2 TYR 59 2HE TYR 59 -6.701 2.300 12.765 312 HH TYR 59 HH TYR 59 -5.629 4.068 14.009 313 H ILE 60 H ILE 60 -6.715 3.070 8.039 314 HA ILE 60 HA ILE 60 -4.872 4.939 6.816 315 HB ILE 60 HB ILE 60 -7.545 5.187 5.613 316 1HG1 ILE 60 2HG1 ILE 60 -5.714 2.907 4.825 317 2HG1 ILE 60 1HG1 ILE 60 -7.352 2.766 5.454 318 1HG2 ILE 60 1HG2 ILE 60 -4.801 5.208 4.368 319 2HG2 ILE 60 2HG2 ILE 60 -5.549 6.609 5.134 320 3HG2 ILE 60 3HG2 ILE 60 -6.286 5.888 3.703 321 1HD1 ILE 60 1HD1 ILE 60 -8.250 3.763 3.459 322 2HD1 ILE 60 2HD1 ILE 60 -7.203 2.413 3.023 323 3HD1 ILE 60 3HD1 ILE 60 -6.626 4.069 2.842 324 H GLU 61 H GLU 61 -5.459 7.155 7.229 325 HA GLU 61 HA GLU 61 -7.247 7.372 9.540 326 1HB GLU 61 2HB GLU 61 -4.796 8.718 8.668 327 2HB GLU 61 1HB GLU 61 -6.026 9.827 9.259 328 1HG GLU 61 2HG GLU 61 -6.070 7.874 11.160 329 2HG GLU 61 1HG GLU 61 -4.367 7.908 10.706 330 H ALA 62 H ALA 62 -8.717 9.124 9.735 331 HA ALA 62 HA ALA 62 -10.043 9.712 7.226 332 1HB ALA 62 1HB ALA 62 -11.079 9.022 9.556 333 2HB ALA 62 2HB ALA 62 -11.936 10.092 8.447 334 3HB ALA 62 3HB ALA 62 -11.051 10.765 9.816 335 H ASP 63 H ASP 63 -7.569 10.937 7.493 336 HA ASP 63 HA ASP 63 -8.030 13.514 6.666 337 1HB ASP 63 2HB ASP 63 -8.763 13.919 9.015 338 2HB ASP 63 1HB ASP 63 -7.153 13.469 9.563 339 H SER 64 H SER 64 -6.324 11.176 6.239 340 HA SER 64 HA SER 64 -3.697 12.495 6.452 341 1HB SER 64 2HB SER 64 -4.349 9.549 6.650 342 2HB SER 64 1HB SER 64 -2.713 10.186 6.496 343 HG SER 64 HG SER 64 -4.510 10.925 8.561 344 HA PRO 65 HA PRO 65 -3.245 12.657 2.074 345 1HB PRO 65 2HB PRO 65 -0.678 11.218 2.636 346 2HB PRO 65 1HB PRO 65 -0.974 12.624 1.604 347 1HG PRO 65 2HG PRO 65 0.080 12.915 4.035 348 2HG PRO 65 1HG PRO 65 -1.090 14.085 3.397 349 1HD PRO 65 2HD PRO 65 -1.435 12.021 5.496 350 2HD PRO 65 1HD PRO 65 -2.286 13.562 5.273 351 H ALA 66 H ALA 66 -2.434 9.607 3.697 352 HA ALA 66 HA ALA 66 -2.494 7.925 1.470 353 1HB ALA 66 1HB ALA 66 -1.644 7.143 3.578 354 2HB ALA 66 2HB ALA 66 -2.994 6.116 3.094 355 3HB ALA 66 3HB ALA 66 -3.223 7.345 4.336 356 H GLU 67 H GLU 67 -5.096 9.078 3.553 357 HA GLU 67 HA GLU 67 -7.123 7.516 2.245 358 1HB GLU 67 2HB GLU 67 -6.915 9.177 4.580 359 2HB GLU 67 1HB GLU 67 -8.298 9.694 3.628 360 1HG GLU 67 2HG GLU 67 -7.777 7.013 4.856 361 2HG GLU 67 1HG GLU 67 -9.114 8.120 5.153 362 H ARG 68 H ARG 68 -6.317 10.977 2.372 363 HA ARG 68 HA ARG 68 -8.232 11.762 0.444 364 1HB ARG 68 2HB ARG 68 -5.721 13.133 1.409 365 2HB ARG 68 1HB ARG 68 -6.942 13.892 0.397 366 1HG ARG 68 2HG ARG 68 -7.662 14.621 2.414 367 2HG ARG 68 1HG ARG 68 -8.528 13.085 2.362 368 1HD ARG 68 2HD ARG 68 -5.845 12.797 3.429 369 2HD ARG 68 1HD ARG 68 -6.806 13.948 4.354 370 HE ARG 68 HE ARG 68 -7.037 11.166 4.478 371 1HH1 ARG 68 1HH1 ARG 68 -9.100 13.978 4.186 372 2HH1 ARG 68 2HH1 ARG 68 -10.460 13.207 4.926 373 1HH2 ARG 68 1HH2 ARG 68 -8.834 10.166 5.466 374 2HH2 ARG 68 2HH2 ARG 68 -10.311 11.051 5.652 375 H CYS 69 H CYS 69 -5.283 10.134 0.103 376 HA CYS 69 HA CYS 69 -4.232 11.160 -2.256 377 1HB CYS 69 2HB CYS 69 -3.878 8.818 -0.646 378 2HB CYS 69 1HB CYS 69 -3.932 8.338 -2.339 379 HG CYS 69 HG CYS 69 -1.883 9.881 -2.782 380 H GLY 70 H GLY 70 -7.009 9.116 -1.721 381 1HA GLY 70 2HA GLY 70 -8.643 8.350 -3.137 382 2HA GLY 70 1HA GLY 70 -8.180 9.674 -4.196 383 H VAL 71 H VAL 71 -5.839 7.263 -3.330 384 HA VAL 71 HA VAL 71 -6.231 5.894 -5.897 385 HB VAL 71 HB VAL 71 -3.787 5.902 -6.292 386 1HG1 VAL 71 1HG1 VAL 71 -5.591 7.789 -6.962 387 2HG1 VAL 71 2HG1 VAL 71 -3.914 7.797 -7.508 388 3HG1 VAL 71 3HG1 VAL 71 -4.396 8.779 -6.125 389 1HG2 VAL 71 1HG2 VAL 71 -3.580 6.675 -3.679 390 2HG2 VAL 71 2HG2 VAL 71 -3.285 8.189 -4.534 391 3HG2 VAL 71 3HG2 VAL 71 -2.286 6.777 -4.872 392 H LEU 72 H LEU 72 -6.315 5.435 -2.761 393 HA LEU 72 HA LEU 72 -5.331 2.705 -2.968 394 1HB LEU 72 2HB LEU 72 -4.124 2.853 -0.826 395 2HB LEU 72 1HB LEU 72 -3.406 3.847 -2.080 396 HG LEU 72 HG LEU 72 -4.930 5.715 -0.949 397 1HD1 LEU 72 1HD1 LEU 72 -5.989 4.780 0.817 398 2HD1 LEU 72 2HD1 LEU 72 -4.466 5.149 1.624 399 3HD1 LEU 72 3HD1 LEU 72 -4.772 3.520 1.021 400 1HD2 LEU 72 1HD2 LEU 72 -2.992 6.495 0.172 401 2HD2 LEU 72 2HD2 LEU 72 -2.432 5.633 -1.261 402 3HD2 LEU 72 3HD2 LEU 72 -2.340 4.864 0.324 403 H GLN 73 H GLN 73 -6.099 1.324 -1.231 404 HA GLN 73 HA GLN 73 -8.157 2.351 0.522 405 1HB GLN 73 2HB GLN 73 -8.766 0.814 -1.945 406 2HB GLN 73 1HB GLN 73 -9.650 0.363 -0.493 407 1HG GLN 73 2HG GLN 73 -9.736 3.165 -0.623 408 2HG GLN 73 1HG GLN 73 -10.062 2.578 -2.254 409 1HE2 GLN 73 1HE2 GLN 73 -11.439 3.384 0.615 410 2HE2 GLN 73 2HE2 GLN 73 -12.924 2.499 0.482 411 H ILE 74 H ILE 74 -8.744 0.883 2.170 412 HA ILE 74 HA ILE 74 -6.717 -0.790 3.087 413 HB ILE 74 HB ILE 74 -9.640 -0.927 3.837 414 1HG1 ILE 74 2HG1 ILE 74 -7.370 0.770 4.891 415 2HG1 ILE 74 1HG1 ILE 74 -8.852 1.331 4.127 416 1HG2 ILE 74 1HG2 ILE 74 -7.577 -2.623 4.561 417 2HG2 ILE 74 2HG2 ILE 74 -9.110 -2.420 5.408 418 3HG2 ILE 74 3HG2 ILE 74 -7.694 -1.499 5.914 419 1HD1 ILE 74 1HD1 ILE 74 -8.333 0.557 6.896 420 2HD1 ILE 74 2HD1 ILE 74 -9.833 -0.082 6.225 421 3HD1 ILE 74 3HD1 ILE 74 -9.537 1.657 6.227 422 H GLY 75 H GLY 75 -6.008 -2.519 2.019 423 1HA GLY 75 2HA GLY 75 -6.729 -4.968 1.909 424 2HA GLY 75 1HA GLY 75 -7.990 -4.361 0.847 425 H ASP 76 H ASP 76 -4.599 -3.363 0.982 426 HA ASP 76 HA ASP 76 -4.301 -4.330 -1.785 427 1HB ASP 76 2HB ASP 76 -3.154 -1.909 -0.402 428 2HB ASP 76 1HB ASP 76 -2.473 -2.537 -1.899 429 H ARG 77 H ARG 77 -2.795 -5.831 -2.153 430 HA ARG 77 HA ARG 77 -1.106 -6.674 0.055 431 1HB ARG 77 2HB ARG 77 -1.987 -7.854 -2.529 432 2HB ARG 77 1HB ARG 77 -0.455 -8.408 -1.867 433 1HG ARG 77 2HG ARG 77 -1.441 -9.379 -0.030 434 2HG ARG 77 1HG ARG 77 -2.872 -8.349 -0.121 435 1HD ARG 77 2HD ARG 77 -2.381 -10.138 -2.422 436 2HD ARG 77 1HD ARG 77 -2.842 -10.916 -0.910 437 HE ARG 77 HE ARG 77 -4.549 -9.498 -2.653 438 1HH1 ARG 77 1HH1 ARG 77 -3.921 -9.964 0.750 439 2HH1 ARG 77 2HH1 ARG 77 -5.553 -9.633 1.223 440 1HH2 ARG 77 1HH2 ARG 77 -6.696 -9.063 -2.030 441 2HH2 ARG 77 2HH2 ARG 77 -7.129 -9.121 -0.355 442 H VAL 78 H VAL 78 0.447 -5.042 0.192 443 HA VAL 78 HA VAL 78 1.960 -4.134 -2.041 444 HB VAL 78 HB VAL 78 2.880 -4.056 0.832 445 1HG1 VAL 78 1HG1 VAL 78 3.723 -2.826 -1.696 446 2HG1 VAL 78 2HG1 VAL 78 4.643 -3.155 -0.227 447 3HG1 VAL 78 3HG1 VAL 78 3.622 -1.719 -0.326 448 1HG2 VAL 78 1HG2 VAL 78 1.476 -2.366 1.362 449 2HG2 VAL 78 2HG2 VAL 78 0.459 -3.112 0.131 450 3HG2 VAL 78 3HG2 VAL 78 1.459 -1.719 -0.278 451 H MET 79 H MET 79 3.929 -4.801 -2.830 452 HA MET 79 HA MET 79 5.567 -6.699 -1.457 453 1HB MET 79 2HB MET 79 3.546 -7.977 -2.544 454 2HB MET 79 1HB MET 79 4.472 -7.776 -4.024 455 1HG MET 79 2HG MET 79 6.385 -8.718 -2.370 456 2HG MET 79 1HG MET 79 4.957 -9.511 -1.708 457 1HE MET 79 1HE MET 79 6.836 -9.565 -5.709 458 2HE MET 79 2HE MET 79 7.664 -10.705 -4.648 459 3HE MET 79 3HE MET 79 7.459 -9.025 -4.149 460 H ALA 80 H ALA 80 5.833 -4.106 -2.757 461 HA ALA 80 HA ALA 80 8.318 -4.420 -3.966 462 1HB ALA 80 1HB ALA 80 6.084 -4.808 -5.788 463 2HB ALA 80 2HB ALA 80 7.799 -5.156 -6.008 464 3HB ALA 80 3HB ALA 80 7.183 -3.532 -6.316 465 H ILE 81 H ILE 81 8.133 -2.703 -2.238 466 HA ILE 81 HA ILE 81 7.194 -0.131 -3.280 467 HB ILE 81 HB ILE 81 8.249 -0.723 -0.517 468 1HG1 ILE 81 2HG1 ILE 81 5.359 -0.563 -1.397 469 2HG1 ILE 81 1HG1 ILE 81 6.221 -2.075 -1.109 470 1HG2 ILE 81 1HG2 ILE 81 6.536 1.369 -0.290 471 2HG2 ILE 81 2HG2 ILE 81 7.220 1.657 -1.890 472 3HG2 ILE 81 3HG2 ILE 81 8.282 1.522 -0.489 473 1HD1 ILE 81 1HD1 ILE 81 5.756 -1.954 1.046 474 2HD1 ILE 81 2HD1 ILE 81 4.818 -0.493 0.738 475 3HD1 ILE 81 3HD1 ILE 81 6.527 -0.373 1.160 476 H ASN 82 H ASN 82 8.597 1.133 -4.286 477 HA ASN 82 HA ASN 82 10.573 1.939 -5.104 478 1HB ASN 82 2HB ASN 82 11.955 3.027 -3.439 479 2HB ASN 82 1HB ASN 82 10.262 3.204 -2.991 480 1HD2 ASN 82 1HD2 ASN 82 13.318 1.851 -2.166 481 2HD2 ASN 82 2HD2 ASN 82 12.870 1.244 -0.604 482 H GLY 83 H GLY 83 10.461 -0.957 -4.917 483 1HA GLY 83 2HA GLY 83 12.243 -2.320 -5.831 484 2HA GLY 83 1HA GLY 83 13.363 -1.467 -4.779 485 H ILE 84 H ILE 84 12.117 -1.584 -2.351 486 HA ILE 84 HA ILE 84 12.666 -4.264 -1.559 487 HB ILE 84 HB ILE 84 11.348 -2.110 0.089 488 1HG1 ILE 84 2HG1 ILE 84 13.541 -1.463 -1.057 489 2HG1 ILE 84 1HG1 ILE 84 13.478 -1.288 0.694 490 1HG2 ILE 84 1HG2 ILE 84 11.191 -3.876 1.480 491 2HG2 ILE 84 2HG2 ILE 84 12.889 -3.514 1.794 492 3HG2 ILE 84 3HG2 ILE 84 12.455 -4.782 0.648 493 1HD1 ILE 84 1HD1 ILE 84 15.206 -2.649 0.945 494 2HD1 ILE 84 2HD1 ILE 84 15.392 -2.636 -0.809 495 3HD1 ILE 84 3HD1 ILE 84 14.439 -3.899 -0.032 496 HA PRO 85 HA PRO 85 8.418 -5.610 -2.130 497 1HB PRO 85 2HB PRO 85 8.846 -8.236 -1.942 498 2HB PRO 85 1HB PRO 85 9.420 -7.318 -3.339 499 1HG PRO 85 2HG PRO 85 10.939 -8.303 -0.963 500 2HG PRO 85 1HG PRO 85 11.427 -8.258 -2.666 501 1HD PRO 85 2HD PRO 85 12.154 -6.392 -0.737 502 2HD PRO 85 1HD PRO 85 12.207 -6.126 -2.491 503 H THR 86 H THR 86 9.787 -5.016 0.633 504 HA THR 86 HA THR 86 9.260 -5.212 2.833 505 HB THR 86 HB THR 86 6.984 -5.321 3.400 506 HG1 THR 86 1HG THR 86 6.422 -6.673 0.980 507 1HG2 THR 86 1HG2 THR 86 5.721 -4.178 1.592 508 2HG2 THR 86 2HG2 THR 86 7.121 -4.397 0.544 509 3HG2 THR 86 3HG2 THR 86 7.256 -3.413 2.001 510 H GLU 87 H GLU 87 10.344 -7.566 1.311 511 HA GLU 87 HA GLU 87 10.871 -9.752 1.665 512 1HB GLU 87 2HB GLU 87 11.185 -8.444 4.032 513 2HB GLU 87 1HB GLU 87 10.077 -9.725 4.505 514 1HG GLU 87 2HG GLU 87 12.018 -10.816 4.864 515 2HG GLU 87 1HG GLU 87 11.826 -11.200 3.155 516 H ASP 88 H ASP 88 9.902 -11.729 3.297 517 HA ASP 88 HA ASP 88 7.115 -11.974 2.375 518 1HB ASP 88 2HB ASP 88 9.387 -13.886 2.498 519 2HB ASP 88 1HB ASP 88 7.785 -14.528 2.846 520 H SER 89 H SER 89 5.584 -12.049 3.875 521 HA SER 89 HA SER 89 4.517 -12.247 5.873 522 1HB SER 89 2HB SER 89 5.792 -14.597 5.565 523 2HB SER 89 1HB SER 89 6.576 -14.038 7.042 524 HG SER 89 HG SER 89 4.681 -14.085 8.088 525 H THR 90 H THR 90 6.410 -10.147 5.537 526 HA THR 90 HA THR 90 7.013 -9.626 8.355 527 HB THR 90 HB THR 90 8.960 -9.127 6.094 528 HG1 THR 90 1HG THR 90 9.022 -10.974 8.244 529 1HG2 THR 90 1HG2 THR 90 10.492 -8.292 7.646 530 2HG2 THR 90 2HG2 THR 90 9.524 -8.827 9.021 531 3HG2 THR 90 3HG2 THR 90 8.974 -7.479 8.026 532 H PHE 91 H PHE 91 5.036 -8.369 8.103 533 HA PHE 91 HA PHE 91 4.773 -6.228 6.307 534 1HB PHE 91 2HB PHE 91 3.034 -5.398 7.864 535 2HB PHE 91 1HB PHE 91 2.856 -7.114 7.508 536 HD1 PHE 91 1HD PHE 91 3.675 -4.638 10.061 537 HD2 PHE 91 2HD PHE 91 3.277 -8.788 9.204 538 HE1 PHE 91 1HE PHE 91 3.680 -5.133 12.472 539 HE2 PHE 91 2HE PHE 91 3.281 -9.290 11.614 540 HZ PHE 91 HZ PHE 91 3.483 -7.460 13.250 541 H GLU 92 H GLU 92 6.573 -6.550 9.245 542 HA GLU 92 HA GLU 92 6.783 -3.917 10.095 543 1HB GLU 92 2HB GLU 92 7.679 -5.956 11.263 544 2HB GLU 92 1HB GLU 92 9.022 -5.943 10.129 545 1HG GLU 92 2HG GLU 92 9.998 -4.792 11.805 546 2HG GLU 92 1HG GLU 92 9.212 -3.436 10.993 547 H GLU 93 H GLU 93 8.420 -5.577 7.473 548 HA GLU 93 HA GLU 93 10.366 -3.585 6.963 549 1HB GLU 93 2HB GLU 93 9.312 -5.963 5.530 550 2HB GLU 93 1HB GLU 93 10.145 -4.755 4.562 551 1HG GLU 93 2HG GLU 93 11.579 -5.439 6.997 552 2HG GLU 93 1HG GLU 93 11.315 -6.822 5.937 553 H ALA 94 H ALA 94 7.170 -4.239 5.562 554 HA ALA 94 HA ALA 94 7.173 -2.241 3.613 555 1HB ALA 94 1HB ALA 94 5.493 -4.005 3.692 556 2HB ALA 94 2HB ALA 94 4.731 -2.414 3.663 557 3HB ALA 94 3HB ALA 94 4.828 -3.319 5.174 558 H ASN 95 H ASN 95 6.107 -2.120 6.998 559 HA ASN 95 HA ASN 95 5.163 0.519 6.983 560 1HB ASN 95 2HB ASN 95 6.302 -1.173 9.214 561 2HB ASN 95 1HB ASN 95 5.583 0.414 9.475 562 1HD2 ASN 95 1HD2 ASN 95 5.013 -2.847 9.397 563 2HD2 ASN 95 2HD2 ASN 95 3.284 -2.821 9.271 564 H GLN 96 H GLN 96 8.375 -0.805 7.667 565 HA GLN 96 HA GLN 96 9.596 1.592 8.427 566 1HB GLN 96 2HB GLN 96 10.653 -0.507 8.920 567 2HB GLN 96 1HB GLN 96 10.715 -0.935 7.216 568 1HG GLN 96 2HG GLN 96 12.894 -0.303 7.870 569 2HG GLN 96 1HG GLN 96 12.250 1.000 6.871 570 1HE2 GLN 96 1HE2 GLN 96 12.091 0.084 10.300 571 2HE2 GLN 96 2HE2 GLN 96 12.522 1.647 10.912 572 H LEU 97 H LEU 97 8.942 0.159 5.305 573 HA LEU 97 HA LEU 97 10.646 1.794 3.756 574 1HB LEU 97 2HB LEU 97 8.096 0.349 3.036 575 2HB LEU 97 1HB LEU 97 9.137 1.139 1.867 576 HG LEU 97 HG LEU 97 10.232 -0.989 3.672 577 1HD1 LEU 97 1HD1 LEU 97 8.083 -1.474 2.021 578 2HD1 LEU 97 2HD1 LEU 97 9.240 -2.672 2.602 579 3HD1 LEU 97 3HD1 LEU 97 9.470 -1.916 1.026 580 1HD2 LEU 97 1HD2 LEU 97 11.904 -1.207 2.029 581 2HD2 LEU 97 2HD2 LEU 97 11.669 0.530 2.235 582 3HD2 LEU 97 3HD2 LEU 97 10.969 -0.296 0.843 583 H LEU 98 H LEU 98 7.193 2.063 4.565 584 HA LEU 98 HA LEU 98 6.807 4.500 3.170 585 1HB LEU 98 2HB LEU 98 4.640 4.444 3.925 586 2HB LEU 98 1HB LEU 98 5.079 2.749 4.022 587 HG LEU 98 HG LEU 98 5.765 3.600 6.506 588 1HD1 LEU 98 1HD1 LEU 98 3.724 5.449 5.436 589 2HD1 LEU 98 2HD1 LEU 98 4.944 5.701 6.684 590 3HD1 LEU 98 3HD1 LEU 98 3.461 4.828 7.064 591 1HD2 LEU 98 1HD2 LEU 98 2.932 2.811 6.014 592 2HD2 LEU 98 2HD2 LEU 98 4.064 2.241 7.242 593 3HD2 LEU 98 3HD2 LEU 98 4.226 1.697 5.572 594 H ARG 99 H ARG 99 7.946 3.705 6.352 595 HA ARG 99 HA ARG 99 7.566 6.260 7.534 596 1HB ARG 99 2HB ARG 99 8.215 3.828 8.511 597 2HB ARG 99 1HB ARG 99 9.809 4.572 8.482 598 1HG ARG 99 2HG ARG 99 8.921 6.448 9.817 599 2HG ARG 99 1HG ARG 99 7.369 5.614 9.905 600 1HD ARG 99 2HD ARG 99 8.081 4.296 11.553 601 2HD ARG 99 1HD ARG 99 9.549 3.876 10.673 602 HE ARG 99 HE ARG 99 9.983 6.409 11.627 603 1HH1 ARG 99 1HH1 ARG 99 9.210 3.312 13.036 604 2HH1 ARG 99 2HH1 ARG 99 10.029 3.645 14.524 605 1HH2 ARG 99 1HH2 ARG 99 11.062 6.848 13.584 606 2HH2 ARG 99 2HH2 ARG 99 11.079 5.652 14.838 607 H ASP 100 H ASP 100 10.182 4.768 5.716 608 HA ASP 100 HA ASP 100 12.027 6.915 6.163 609 1HB ASP 100 2HB ASP 100 12.003 4.392 4.605 610 2HB ASP 100 1HB ASP 100 13.074 5.664 4.024 611 H SER 101 H SER 101 9.278 6.708 4.312 612 HA SER 101 HA SER 101 10.001 7.896 1.883 613 1HB SER 101 2HB SER 101 7.383 8.364 3.312 614 2HB SER 101 1HB SER 101 7.683 8.362 1.574 615 HG SER 101 HG SER 101 6.717 6.400 2.557 616 H SER 102 H SER 102 9.841 9.219 5.049 617 HA SER 102 HA SER 102 9.293 11.911 4.449 618 1HB SER 102 2HB SER 102 10.845 10.643 6.712 619 2HB SER 102 1HB SER 102 10.480 12.367 6.634 620 HG SER 102 HG SER 102 8.507 11.956 7.230 621 H ILE 103 H ILE 103 12.209 10.003 4.262 622 HA ILE 103 HA ILE 103 14.109 12.055 4.127 623 HB ILE 103 HB ILE 103 14.239 9.423 2.659 624 1HG1 ILE 103 2HG1 ILE 103 14.405 10.096 5.537 625 2HG1 ILE 103 1HG1 ILE 103 13.937 8.598 4.745 626 1HG2 ILE 103 1HG2 ILE 103 16.577 9.679 2.675 627 2HG2 ILE 103 2HG2 ILE 103 16.498 11.030 3.806 628 3HG2 ILE 103 3HG2 ILE 103 15.926 11.232 2.150 629 1HD1 ILE 103 1HD1 ILE 103 15.903 8.160 5.980 630 2HD1 ILE 103 2HD1 ILE 103 16.714 9.577 5.313 631 3HD1 ILE 103 3HD1 ILE 103 16.361 8.194 4.277 632 H THR 104 H THR 104 12.664 10.231 1.416 633 HA THR 104 HA THR 104 13.584 12.215 -0.472 634 HB THR 104 HB THR 104 13.700 10.010 -1.293 635 HG1 THR 104 1HG THR 104 12.770 10.422 -3.122 636 1HG2 THR 104 1HG2 THR 104 10.961 9.670 -0.165 637 2HG2 THR 104 2HG2 THR 104 12.386 8.647 0.013 638 3HG2 THR 104 3HG2 THR 104 11.500 8.668 -1.511 639 H SER 105 H SER 105 10.945 11.955 1.543 640 HA SER 105 HA SER 105 9.161 13.349 1.807 641 1HB SER 105 2HB SER 105 8.944 15.290 0.599 642 2HB SER 105 1HB SER 105 10.618 14.895 0.218 643 HG SER 105 HG SER 105 9.797 15.174 -1.742 644 H LYS 106 H LYS 106 9.524 11.035 -0.580 645 HA LYS 106 HA LYS 106 6.693 10.531 -0.599 646 1HB LYS 106 2HB LYS 106 6.384 10.587 -2.993 647 2HB LYS 106 1HB LYS 106 6.945 12.160 -2.444 648 1HG LYS 106 2HG LYS 106 8.833 12.042 -3.639 649 2HG LYS 106 1HG LYS 106 9.085 10.337 -3.264 650 1HD LYS 106 2HD LYS 106 8.687 10.757 -5.673 651 2HD LYS 106 1HD LYS 106 7.489 9.682 -4.951 652 1HE LYS 106 2HE LYS 106 5.824 11.304 -4.996 653 2HE LYS 106 1HE LYS 106 6.982 12.627 -5.121 654 1HZ LYS 106 1HZ LYS 106 6.177 12.502 -7.250 655 2HZ LYS 106 2HZ LYS 106 5.997 10.820 -7.218 656 3HZ LYS 106 3HZ LYS 106 7.536 11.502 -7.377 657 H VAL 107 H VAL 107 6.157 8.489 -1.740 658 HA VAL 107 HA VAL 107 8.425 6.702 -2.167 659 HB VAL 107 HB VAL 107 7.908 6.502 0.230 660 1HG1 VAL 107 1HG1 VAL 107 5.567 5.066 0.373 661 2HG1 VAL 107 2HG1 VAL 107 5.184 6.344 -0.780 662 3HG1 VAL 107 3HG1 VAL 107 5.774 6.758 0.829 663 1HG2 VAL 107 1HG2 VAL 107 8.233 4.253 0.262 664 2HG2 VAL 107 2HG2 VAL 107 8.483 4.527 -1.461 665 3HG2 VAL 107 3HG2 VAL 107 6.926 3.937 -0.879 666 H THR 108 H THR 108 7.968 4.880 -3.404 667 HA THR 108 HA THR 108 5.319 4.887 -4.697 668 HB THR 108 HB THR 108 6.964 3.463 -6.386 669 HG1 THR 108 1HG THR 108 8.923 4.219 -6.305 670 1HG2 THR 108 1HG2 THR 108 6.976 5.400 -7.836 671 2HG2 THR 108 2HG2 THR 108 6.481 6.430 -6.491 672 3HG2 THR 108 3HG2 THR 108 5.390 5.184 -7.096 673 H LEU 109 H LEU 109 4.097 3.275 -3.945 674 HA LEU 109 HA LEU 109 5.413 0.752 -3.203 675 1HB LEU 109 2HB LEU 109 3.240 0.332 -1.959 676 2HB LEU 109 1HB LEU 109 4.300 1.573 -1.316 677 HG LEU 109 HG LEU 109 2.246 2.543 -3.189 678 1HD1 LEU 109 1HD1 LEU 109 1.410 1.687 -0.431 679 2HD1 LEU 109 2HD1 LEU 109 1.086 0.733 -1.879 680 3HD1 LEU 109 3HD1 LEU 109 0.402 2.352 -1.717 681 1HD2 LEU 109 1HD2 LEU 109 3.416 3.393 -0.558 682 2HD2 LEU 109 2HD2 LEU 109 2.018 4.203 -1.266 683 3HD2 LEU 109 3HD2 LEU 109 3.554 4.176 -2.132 684 H GLU 110 H GLU 110 5.083 -0.996 -4.386 685 HA GLU 110 HA GLU 110 3.028 -0.949 -6.465 686 1HB GLU 110 2HB GLU 110 5.559 -1.692 -6.710 687 2HB GLU 110 1HB GLU 110 4.938 -3.225 -6.115 688 1HG GLU 110 2HG GLU 110 3.657 -3.589 -7.991 689 2HG GLU 110 1HG GLU 110 3.578 -1.876 -8.399 690 H ILE 111 H ILE 111 1.104 -1.541 -5.687 691 HA ILE 111 HA ILE 111 0.959 -3.842 -3.869 692 HB ILE 111 HB ILE 111 -1.487 -2.854 -3.633 693 1HG1 ILE 111 2HG1 ILE 111 0.003 -0.280 -3.850 694 2HG1 ILE 111 1HG1 ILE 111 -0.626 -1.008 -5.329 695 1HG2 ILE 111 1HG2 ILE 111 1.053 -2.343 -2.231 696 2HG2 ILE 111 2HG2 ILE 111 -0.461 -3.023 -1.634 697 3HG2 ILE 111 3HG2 ILE 111 -0.292 -1.278 -1.820 698 1HD1 ILE 111 1HD1 ILE 111 -2.859 -1.072 -4.276 699 2HD1 ILE 111 2HD1 ILE 111 -2.216 0.553 -4.505 700 3HD1 ILE 111 3HD1 ILE 111 -2.188 -0.189 -2.905 701 H GLU 112 H GLU 112 -0.844 -5.304 -4.080 702 HA GLU 112 HA GLU 112 -1.777 -5.562 -6.864 703 1HB GLU 112 2HB GLU 112 -0.168 -7.333 -6.108 704 2HB GLU 112 1HB GLU 112 -1.342 -7.810 -4.889 705 1HG GLU 112 2HG GLU 112 -2.915 -8.467 -6.565 706 2HG GLU 112 1HG GLU 112 -1.902 -7.803 -7.844 707 H PHE 113 H PHE 113 -3.880 -5.232 -7.082 708 HA PHE 113 HA PHE 113 -5.626 -5.677 -4.756 709 1HB PHE 113 2HB PHE 113 -7.121 -4.028 -5.683 710 2HB PHE 113 1HB PHE 113 -5.497 -3.350 -5.662 711 HD1 PHE 113 1HD PHE 113 -8.034 -4.926 -7.844 712 HD2 PHE 113 2HD PHE 113 -4.471 -2.607 -7.637 713 HE1 PHE 113 1HE PHE 113 -8.207 -4.455 -10.251 714 HE2 PHE 113 2HE PHE 113 -4.639 -2.130 -10.046 715 HZ PHE 113 HZ PHE 113 -6.507 -3.058 -11.355 716 H ASP 114 H ASP 114 -7.438 -6.917 -4.920 717 HA ASP 114 HA ASP 114 -7.871 -8.298 -7.488 718 1HB ASP 114 2HB ASP 114 -6.909 -9.783 -5.749 719 2HB ASP 114 1HB ASP 114 -8.288 -9.428 -4.710 720 H VAL 115 H VAL 115 -9.546 -7.099 -8.265 721 HA VAL 115 HA VAL 115 -11.786 -6.414 -6.557 722 HB VAL 115 HB VAL 115 -12.708 -5.303 -8.554 723 1HG1 VAL 115 1HG1 VAL 115 -10.003 -4.715 -7.496 724 2HG1 VAL 115 2HG1 VAL 115 -11.483 -3.758 -7.424 725 3HG1 VAL 115 3HG1 VAL 115 -10.535 -3.808 -8.911 726 1HG2 VAL 115 1HG2 VAL 115 -11.336 -7.066 -10.031 727 2HG2 VAL 115 2HG2 VAL 115 -10.217 -5.704 -10.096 728 3HG2 VAL 115 3HG2 VAL 115 -11.880 -5.508 -10.653 729 H ALA 116 H ALA 116 -13.948 -7.036 -6.954 730 HA ALA 116 HA ALA 116 -14.242 -9.508 -8.531 731 1HB ALA 116 1HB ALA 116 -14.321 -9.474 -5.838 732 2HB ALA 116 2HB ALA 116 -15.223 -10.620 -6.829 733 3HB ALA 116 3HB ALA 116 -16.020 -9.176 -6.203 734 H GLU 117 H GLU 117 -14.731 -7.084 -9.679 735 HA GLU 117 HA GLU 117 -17.616 -6.631 -9.531 736 1HB GLU 117 2HB GLU 117 -15.297 -5.098 -10.624 737 2HB GLU 117 1HB GLU 117 -16.890 -4.814 -11.313 738 1HG GLU 117 2HG GLU 117 -17.760 -4.121 -9.206 739 2HG GLU 117 1HG GLU 117 -16.289 -4.623 -8.373 740 H SER 118 H SER 118 -16.988 -9.090 -10.543 741 HA SER 118 HA SER 118 -16.667 -9.255 -13.320 742 1HB SER 118 2HB SER 118 -16.418 -11.204 -11.867 743 2HB SER 118 1HB SER 118 -18.131 -11.138 -11.454 744 HG SER 118 HG SER 118 -18.646 -11.708 -13.530 Start of MODEL 20 1 1H GLN 18 1HT GLN 18 -18.335 -12.804 -13.541 2 2H GLN 18 2HT GLN 18 -18.307 -12.794 -15.256 3 3H GLN 18 3HT GLN 18 -19.778 -12.507 -14.418 4 HA GLN 18 HA GLN 18 -19.086 -10.451 -15.120 5 1HB GLN 18 2HB GLN 18 -19.378 -11.111 -12.468 6 2HB GLN 18 1HB GLN 18 -17.859 -10.227 -12.459 7 1HG GLN 18 2HG GLN 18 -19.113 -8.402 -12.298 8 2HG GLN 18 1HG GLN 18 -19.451 -8.636 -14.012 9 1HE2 GLN 18 1HE2 GLN 18 -20.606 -9.429 -10.776 10 2HE2 GLN 18 2HE2 GLN 18 -22.281 -9.538 -11.205 11 H VAL 19 H VAL 19 -17.460 -8.832 -15.397 12 HA VAL 19 HA VAL 19 -14.926 -9.912 -16.166 13 HB VAL 19 HB VAL 19 -15.700 -6.998 -15.991 14 1HG1 VAL 19 1HG1 VAL 19 -14.024 -6.922 -17.937 15 2HG1 VAL 19 2HG1 VAL 19 -13.497 -8.503 -17.361 16 3HG1 VAL 19 3HG1 VAL 19 -13.389 -7.098 -16.302 17 1HG2 VAL 19 1HG2 VAL 19 -15.877 -8.674 -18.472 18 2HG2 VAL 19 2HG2 VAL 19 -16.598 -7.099 -18.143 19 3HG2 VAL 19 3HG2 VAL 19 -17.237 -8.542 -17.356 20 H VAL 20 H VAL 20 -14.251 -10.730 -14.068 21 HA VAL 20 HA VAL 20 -13.706 -8.944 -11.907 22 HB VAL 20 HB VAL 20 -12.529 -11.690 -12.361 23 1HG1 VAL 20 1HG1 VAL 20 -11.796 -9.878 -10.506 24 2HG1 VAL 20 2HG1 VAL 20 -11.738 -11.622 -10.250 25 3HG1 VAL 20 3HG1 VAL 20 -13.109 -10.688 -9.652 26 1HG2 VAL 20 1HG2 VAL 20 -14.441 -12.671 -11.711 27 2HG2 VAL 20 2HG2 VAL 20 -15.197 -11.159 -12.212 28 3HG2 VAL 20 3HG2 VAL 20 -14.792 -11.422 -10.517 29 H HIS 21 H HIS 21 -12.140 -7.481 -11.892 30 HA HIS 21 HA HIS 21 -9.838 -7.782 -13.646 31 1HB HIS 21 2HB HIS 21 -11.222 -5.558 -12.335 32 2HB HIS 21 1HB HIS 21 -9.467 -5.419 -12.281 33 HD1 HIS 21 1HD HIS 21 -11.498 -3.642 -14.012 34 HD2 HIS 21 2HD HIS 21 -9.092 -6.736 -15.390 35 HE1 HIS 21 1HE HIS 21 -11.192 -3.210 -16.470 36 HE2 HIS 21 2HE HIS 21 -9.811 -5.148 -17.300 37 H THR 22 H THR 22 -7.716 -6.824 -12.587 38 HA THR 22 HA THR 22 -7.062 -7.073 -9.937 39 HB THR 22 HB THR 22 -5.838 -9.480 -10.411 40 HG1 THR 22 1HG THR 22 -7.154 -9.705 -12.321 41 1HG2 THR 22 1HG2 THR 22 -8.159 -8.616 -8.857 42 2HG2 THR 22 2HG2 THR 22 -6.763 -9.581 -8.383 43 3HG2 THR 22 3HG2 THR 22 -8.114 -10.341 -9.224 44 H GLU 23 H GLU 23 -5.361 -5.751 -10.080 45 HA GLU 23 HA GLU 23 -3.032 -6.599 -11.565 46 1HB GLU 23 2HB GLU 23 -3.594 -3.805 -12.218 47 2HB GLU 23 1HB GLU 23 -3.036 -5.109 -13.253 48 1HG GLU 23 2HG GLU 23 -5.345 -5.910 -13.467 49 2HG GLU 23 1HG GLU 23 -5.890 -4.571 -12.457 50 H THR 24 H THR 24 -1.207 -4.968 -11.271 51 HA THR 24 HA THR 24 -1.229 -4.124 -8.474 52 HB THR 24 HB THR 24 1.238 -3.891 -8.789 53 HG1 THR 24 1HG THR 24 0.778 -5.080 -11.319 54 1HG2 THR 24 1HG2 THR 24 1.776 -6.257 -9.034 55 2HG2 THR 24 2HG2 THR 24 0.141 -6.569 -9.617 56 3HG2 THR 24 3HG2 THR 24 0.396 -6.011 -7.964 57 H THR 25 H THR 25 -1.240 -2.041 -7.860 58 HA THR 25 HA THR 25 -1.019 -0.008 -9.984 59 HB THR 25 HB THR 25 -3.227 -0.002 -9.028 60 HG1 THR 25 1HG THR 25 -2.193 2.051 -9.373 61 1HG2 THR 25 1HG2 THR 25 -3.730 -0.406 -6.912 62 2HG2 THR 25 2HG2 THR 25 -2.620 0.840 -6.344 63 3HG2 THR 25 3HG2 THR 25 -2.027 -0.788 -6.661 64 H GLU 26 H GLU 26 0.413 1.622 -9.797 65 HA GLU 26 HA GLU 26 2.155 1.582 -7.442 66 1HB GLU 26 2HB GLU 26 3.800 2.734 -8.779 67 2HB GLU 26 1HB GLU 26 3.219 1.341 -9.679 68 1HG GLU 26 2HG GLU 26 1.552 3.391 -10.485 69 2HG GLU 26 1HG GLU 26 3.135 4.155 -10.346 70 H VAL 27 H VAL 27 1.155 2.805 -5.944 71 HA VAL 27 HA VAL 27 0.219 5.473 -6.724 72 HB VAL 27 HB VAL 27 -0.505 5.022 -4.049 73 1HG1 VAL 27 1HG1 VAL 27 -2.492 4.445 -6.160 74 2HG1 VAL 27 2HG1 VAL 27 -1.665 6.001 -6.254 75 3HG1 VAL 27 3HG1 VAL 27 -2.569 5.570 -4.803 76 1HG2 VAL 27 1HG2 VAL 27 -1.106 2.585 -5.725 77 2HG2 VAL 27 2HG2 VAL 27 -1.746 2.922 -4.115 78 3HG2 VAL 27 3HG2 VAL 27 -0.020 2.640 -4.336 79 H VAL 28 H VAL 28 1.682 7.007 -6.452 80 HA VAL 28 HA VAL 28 3.816 6.740 -4.530 81 HB VAL 28 HB VAL 28 3.213 9.178 -6.195 82 1HG1 VAL 28 1HG1 VAL 28 5.693 9.434 -6.058 83 2HG1 VAL 28 2HG1 VAL 28 5.715 8.084 -4.923 84 3HG1 VAL 28 3HG1 VAL 28 4.858 9.569 -4.509 85 1HG2 VAL 28 1HG2 VAL 28 5.221 7.724 -7.477 86 2HG2 VAL 28 2HG2 VAL 28 3.567 7.974 -8.035 87 3HG2 VAL 28 3HG2 VAL 28 3.972 6.539 -7.092 88 H LEU 29 H LEU 29 3.721 7.410 -2.494 89 HA LEU 29 HA LEU 29 1.718 9.440 -1.785 90 1HB LEU 29 2HB LEU 29 2.793 7.066 -0.314 91 2HB LEU 29 1HB LEU 29 2.142 8.425 0.582 92 HG LEU 29 HG LEU 29 0.511 6.588 0.235 93 1HD1 LEU 29 1HD1 LEU 29 -0.642 8.490 0.681 94 2HD1 LEU 29 2HD1 LEU 29 -1.212 8.210 -0.964 95 3HD1 LEU 29 3HD1 LEU 29 0.075 9.377 -0.664 96 1HD2 LEU 29 1HD2 LEU 29 0.509 7.419 -2.656 97 2HD2 LEU 29 2HD2 LEU 29 -0.374 6.090 -1.907 98 3HD2 LEU 29 3HD2 LEU 29 1.381 6.008 -2.057 99 H THR 30 H THR 30 2.301 11.202 -0.601 100 HA THR 30 HA THR 30 5.188 11.619 -0.267 101 HB THR 30 HB THR 30 2.987 13.691 -0.368 102 HG1 THR 30 1HG THR 30 3.055 12.949 -2.388 103 1HG2 THR 30 1HG2 THR 30 5.854 14.235 -0.965 104 2HG2 THR 30 2HG2 THR 30 5.292 14.216 0.706 105 3HG2 THR 30 3HG2 THR 30 4.578 15.339 -0.452 106 H ALA 31 H ALA 31 6.014 12.493 1.651 107 HA ALA 31 HA ALA 31 4.412 11.883 4.004 108 1HB ALA 31 1HB ALA 31 6.884 11.207 3.584 109 2HB ALA 31 2HB ALA 31 6.386 11.733 5.193 110 3HB ALA 31 3HB ALA 31 7.237 12.848 4.125 111 H ASP 32 H ASP 32 3.053 13.488 4.549 112 HA ASP 32 HA ASP 32 3.678 16.254 4.181 113 1HB ASP 32 2HB ASP 32 1.377 14.673 5.019 114 2HB ASP 32 1HB ASP 32 1.551 16.148 5.966 115 HA PRO 33 HA PRO 33 5.837 16.774 8.035 116 1HB PRO 33 2HB PRO 33 6.102 19.445 8.000 117 2HB PRO 33 1HB PRO 33 6.994 18.409 6.880 118 1HG PRO 33 2HG PRO 33 4.511 20.009 6.411 119 2HG PRO 33 1HG PRO 33 5.926 19.805 5.363 120 1HD PRO 33 2HD PRO 33 3.577 18.426 5.052 121 2HD PRO 33 1HD PRO 33 5.156 17.826 4.512 122 H VAL 34 H VAL 34 3.273 16.179 8.601 123 HA VAL 34 HA VAL 34 2.706 17.933 10.828 124 HB VAL 34 HB VAL 34 0.536 17.445 8.782 125 1HG1 VAL 34 1HG1 VAL 34 -0.522 19.327 10.222 126 2HG1 VAL 34 2HG1 VAL 34 0.641 18.806 11.441 127 3HG1 VAL 34 3HG1 VAL 34 -0.548 17.665 10.813 128 1HG2 VAL 34 1HG2 VAL 34 2.100 18.998 7.831 129 2HG2 VAL 34 2HG2 VAL 34 2.164 19.923 9.330 130 3HG2 VAL 34 3HG2 VAL 34 0.684 19.897 8.374 131 H THR 35 H THR 35 1.453 15.231 8.876 132 HA THR 35 HA THR 35 0.980 13.764 11.386 133 HB THR 35 HB THR 35 -1.174 14.364 10.493 134 HG1 THR 35 1HG THR 35 -2.015 12.289 10.143 135 1HG2 THR 35 1HG2 THR 35 -0.562 14.812 8.175 136 2HG2 THR 35 2HG2 THR 35 -1.935 13.712 8.289 137 3HG2 THR 35 3HG2 THR 35 -0.332 13.086 7.904 138 H GLY 36 H GLY 36 1.649 13.491 7.911 139 1HA GLY 36 2HA GLY 36 3.651 12.091 7.399 140 2HA GLY 36 1HA GLY 36 2.943 10.893 8.474 141 H PHE 37 H PHE 37 2.059 9.251 7.427 142 HA PHE 37 HA PHE 37 0.899 9.746 4.768 143 1HB PHE 37 2HB PHE 37 2.226 7.313 5.948 144 2HB PHE 37 1HB PHE 37 1.230 7.219 4.499 145 HD1 PHE 37 1HD PHE 37 4.185 8.970 5.915 146 HD2 PHE 37 2HD PHE 37 2.159 7.640 2.418 147 HE1 PHE 37 1HE PHE 37 6.122 9.628 4.549 148 HE2 PHE 37 2HE PHE 37 4.094 8.294 1.045 149 HZ PHE 37 HZ PHE 37 6.077 9.290 2.108 150 H GLY 38 H GLY 38 0.295 8.518 7.959 151 1HA GLY 38 2HA GLY 38 -1.634 7.824 8.989 152 2HA GLY 38 1HA GLY 38 -2.492 8.665 7.708 153 H ILE 39 H ILE 39 -0.291 5.974 7.193 154 HA ILE 39 HA ILE 39 -2.572 4.198 6.688 155 HB ILE 39 HB ILE 39 -1.947 5.134 4.518 156 1HG1 ILE 39 2HG1 ILE 39 -0.802 2.490 4.083 157 2HG1 ILE 39 1HG1 ILE 39 -2.200 2.434 5.156 158 1HG2 ILE 39 1HG2 ILE 39 0.701 3.806 4.536 159 2HG2 ILE 39 2HG2 ILE 39 0.547 5.333 5.405 160 3HG2 ILE 39 3HG2 ILE 39 0.162 5.253 3.685 161 1HD1 ILE 39 1HD1 ILE 39 -2.029 3.170 2.290 162 2HD1 ILE 39 2HD1 ILE 39 -3.254 3.959 3.284 163 3HD1 ILE 39 3HD1 ILE 39 -3.230 2.202 3.146 164 H GLN 40 H GLN 40 -2.220 2.064 7.157 165 HA GLN 40 HA GLN 40 0.489 1.294 7.994 166 1HB GLN 40 2HB GLN 40 -1.980 0.444 9.499 167 2HB GLN 40 1HB GLN 40 -0.300 0.253 9.979 168 1HG GLN 40 2HG GLN 40 -1.846 2.828 9.803 169 2HG GLN 40 1HG GLN 40 -1.319 2.002 11.270 170 1HE2 GLN 40 1HE2 GLN 40 -0.735 4.648 9.712 171 2HE2 GLN 40 2HE2 GLN 40 0.985 4.791 9.859 172 H LEU 41 H LEU 41 1.140 -0.698 7.413 173 HA LEU 41 HA LEU 41 -0.805 -2.364 5.966 174 1HB LEU 41 2HB LEU 41 1.655 -3.277 5.168 175 2HB LEU 41 1HB LEU 41 0.642 -2.162 4.273 176 HG LEU 41 HG LEU 41 1.872 -0.294 5.514 177 1HD1 LEU 41 1HD1 LEU 41 3.081 -1.123 7.233 178 2HD1 LEU 41 2HD1 LEU 41 4.310 -1.285 5.979 179 3HD1 LEU 41 3HD1 LEU 41 3.338 -2.681 6.447 180 1HD2 LEU 41 1HD2 LEU 41 2.260 -1.385 3.112 181 2HD2 LEU 41 2HD2 LEU 41 3.831 -1.737 3.831 182 3HD2 LEU 41 3HD2 LEU 41 3.259 -0.072 3.735 183 H GLN 42 H GLN 42 -1.180 -4.373 6.661 184 HA GLN 42 HA GLN 42 0.108 -5.263 9.086 185 1HB GLN 42 2HB GLN 42 -2.354 -5.821 7.671 186 2HB GLN 42 1HB GLN 42 -1.556 -7.313 8.147 187 1HG GLN 42 2HG GLN 42 -1.560 -6.667 10.443 188 2HG GLN 42 1HG GLN 42 -2.128 -5.048 10.038 189 1HE2 GLN 42 1HE2 GLN 42 -3.215 -8.172 8.803 190 2HE2 GLN 42 2HE2 GLN 42 -4.846 -8.030 9.372 191 H GLY 43 H GLY 43 1.538 -6.907 9.321 192 1HA GLY 43 2HA GLY 43 3.179 -7.653 7.183 193 2HA GLY 43 1HA GLY 43 3.123 -8.462 8.743 194 H SER 44 H SER 44 0.147 -8.949 8.186 195 HA SER 44 HA SER 44 0.202 -10.823 5.991 196 1HB SER 44 2HB SER 44 -0.548 -12.721 7.527 197 2HB SER 44 1HB SER 44 1.160 -12.291 7.590 198 HG SER 44 HG SER 44 -0.748 -11.206 9.374 199 H VAL 45 H VAL 45 -1.985 -12.233 6.263 200 HA VAL 45 HA VAL 45 -4.086 -10.400 5.916 201 HB VAL 45 HB VAL 45 -4.129 -13.389 6.294 202 1HG1 VAL 45 1HG1 VAL 45 -6.338 -11.445 6.031 203 2HG1 VAL 45 2HG1 VAL 45 -6.315 -13.041 6.778 204 3HG1 VAL 45 3HG1 VAL 45 -6.446 -12.890 5.026 205 1HG2 VAL 45 1HG2 VAL 45 -4.666 -11.871 3.763 206 2HG2 VAL 45 2HG2 VAL 45 -4.206 -13.561 3.967 207 3HG2 VAL 45 3HG2 VAL 45 -3.025 -12.283 4.258 208 H PHE 46 H PHE 46 -4.372 -13.056 8.177 209 HA PHE 46 HA PHE 46 -4.812 -11.310 10.433 210 1HB PHE 46 2HB PHE 46 -7.024 -12.138 8.838 211 2HB PHE 46 1HB PHE 46 -7.123 -12.987 10.377 212 HD1 PHE 46 1HD PHE 46 -6.686 -11.443 12.488 213 HD2 PHE 46 2HD PHE 46 -8.005 -10.074 8.680 214 HE1 PHE 46 1HE PHE 46 -7.624 -9.426 13.542 215 HE2 PHE 46 2HE PHE 46 -8.944 -8.054 9.727 216 HZ PHE 46 HZ PHE 46 -8.753 -7.728 12.161 217 H ALA 47 H ALA 47 -4.250 -12.289 12.285 218 HA ALA 47 HA ALA 47 -4.565 -15.091 12.739 219 1HB ALA 47 1HB ALA 47 -2.568 -15.015 11.224 220 2HB ALA 47 2HB ALA 47 -2.287 -15.780 12.788 221 3HB ALA 47 3HB ALA 47 -1.720 -14.136 12.497 222 H THR 48 H THR 48 -5.363 -14.842 14.739 223 HA THR 48 HA THR 48 -4.707 -12.847 16.550 224 HB THR 48 HB THR 48 -5.824 -14.233 18.243 225 HG1 THR 48 1HG THR 48 -6.476 -16.318 17.701 226 1HG2 THR 48 1HG2 THR 48 -7.839 -14.951 16.588 227 2HG2 THR 48 2HG2 THR 48 -7.017 -13.728 15.618 228 3HG2 THR 48 3HG2 THR 48 -7.599 -13.327 17.233 229 H GLU 49 H GLU 49 -3.012 -15.687 15.723 230 HA GLU 49 HA GLU 49 -0.969 -15.057 17.706 231 1HB GLU 49 2HB GLU 49 -2.407 -16.798 18.727 232 2HB GLU 49 1HB GLU 49 -2.077 -17.848 17.356 233 1HG GLU 49 2HG GLU 49 0.337 -17.748 17.941 234 2HG GLU 49 1HG GLU 49 -0.103 -16.848 19.391 235 H THR 50 H THR 50 0.933 -14.952 16.728 236 HA THR 50 HA THR 50 2.626 -15.259 15.242 237 HB THR 50 HB THR 50 1.465 -17.857 14.355 238 HG1 THR 50 1HG THR 50 2.678 -17.422 16.877 239 1HG2 THR 50 1HG2 THR 50 4.118 -16.653 14.535 240 2HG2 THR 50 2HG2 THR 50 3.508 -17.917 13.467 241 3HG2 THR 50 3HG2 THR 50 4.026 -18.321 15.103 242 H LEU 51 H LEU 51 3.087 -15.756 12.845 243 HA LEU 51 HA LEU 51 0.870 -14.632 11.274 244 1HB LEU 51 2HB LEU 51 2.994 -13.325 11.428 245 2HB LEU 51 1HB LEU 51 3.814 -14.645 10.613 246 HG LEU 51 HG LEU 51 1.444 -13.442 9.275 247 1HD1 LEU 51 1HD1 LEU 51 3.496 -11.801 10.197 248 2HD1 LEU 51 2HD1 LEU 51 2.306 -11.420 8.954 249 3HD1 LEU 51 3HD1 LEU 51 3.870 -12.093 8.498 250 1HD2 LEU 51 1HD2 LEU 51 2.457 -15.311 8.206 251 2HD2 LEU 51 2HD2 LEU 51 4.067 -14.616 8.383 252 3HD2 LEU 51 3HD2 LEU 51 2.903 -13.874 7.287 253 H SER 52 H SER 52 0.175 -15.612 9.414 254 HA SER 52 HA SER 52 1.614 -17.855 8.302 255 1HB SER 52 2HB SER 52 -0.517 -18.245 10.194 256 2HB SER 52 1HB SER 52 -0.965 -18.916 8.627 257 HG SER 52 HG SER 52 0.881 -19.793 10.437 258 H SER 53 H SER 53 0.417 -15.196 7.566 259 HA SER 53 HA SER 53 -0.803 -16.102 5.073 260 1HB SER 53 2HB SER 53 -2.073 -14.317 7.104 261 2HB SER 53 1HB SER 53 -2.364 -13.991 5.396 262 HG SER 53 HG SER 53 -2.967 -16.282 5.269 263 HA PRO 54 HA PRO 54 1.702 -13.021 3.169 264 1HB PRO 54 2HB PRO 54 0.118 -12.083 1.173 265 2HB PRO 54 1HB PRO 54 0.861 -13.686 1.135 266 1HG PRO 54 2HG PRO 54 -1.928 -12.907 1.897 267 2HG PRO 54 1HG PRO 54 -1.381 -14.263 0.895 268 1HD PRO 54 2HD PRO 54 -2.079 -14.570 3.488 269 2HD PRO 54 1HD PRO 54 -0.811 -15.551 2.723 270 HA PRO 55 HA PRO 55 0.892 -9.068 4.975 271 1HB PRO 55 2HB PRO 55 2.180 -7.455 3.146 272 2HB PRO 55 1HB PRO 55 2.987 -8.339 4.445 273 1HG PRO 55 2HG PRO 55 2.696 -9.055 1.557 274 2HG PRO 55 1HG PRO 55 4.102 -9.239 2.623 275 1HD PRO 55 2HD PRO 55 2.534 -11.324 1.997 276 2HD PRO 55 1HD PRO 55 3.261 -11.160 3.610 277 H LEU 56 H LEU 56 -0.537 -7.375 4.819 278 HA LEU 56 HA LEU 56 -1.696 -6.622 2.286 279 1HB LEU 56 2HB LEU 56 -3.193 -8.247 4.305 280 2HB LEU 56 1HB LEU 56 -4.049 -7.074 3.323 281 HG LEU 56 HG LEU 56 -2.651 -8.455 1.421 282 1HD1 LEU 56 1HD1 LEU 56 -2.841 -10.137 3.793 283 2HD1 LEU 56 2HD1 LEU 56 -1.878 -10.341 2.330 284 3HD1 LEU 56 3HD1 LEU 56 -3.561 -10.868 2.358 285 1HD2 LEU 56 1HD2 LEU 56 -4.849 -9.663 1.076 286 2HD2 LEU 56 2HD2 LEU 56 -4.925 -7.901 1.125 287 3HD2 LEU 56 3HD2 LEU 56 -5.417 -8.845 2.532 288 H ILE 57 H ILE 57 -2.473 -4.578 2.321 289 HA ILE 57 HA ILE 57 -1.994 -2.960 4.619 290 HB ILE 57 HB ILE 57 -3.474 -2.257 2.081 291 1HG1 ILE 57 2HG1 ILE 57 -0.575 -1.769 2.780 292 2HG1 ILE 57 1HG1 ILE 57 -1.137 -3.080 1.750 293 1HG2 ILE 57 1HG2 ILE 57 -4.012 -0.472 3.371 294 2HG2 ILE 57 2HG2 ILE 57 -2.400 0.057 2.889 295 3HG2 ILE 57 3HG2 ILE 57 -2.643 -0.706 4.459 296 1HD1 ILE 57 1HD1 ILE 57 -2.100 -1.385 0.220 297 2HD1 ILE 57 2HD1 ILE 57 -0.345 -1.298 0.376 298 3HD1 ILE 57 3HD1 ILE 57 -1.364 -0.130 1.218 299 H SER 58 H SER 58 -3.488 -1.937 5.992 300 HA SER 58 HA SER 58 -6.309 -2.268 5.604 301 1HB SER 58 2HB SER 58 -6.757 -3.686 7.537 302 2HB SER 58 1HB SER 58 -5.705 -4.527 6.399 303 HG SER 58 HG SER 58 -4.708 -4.825 8.292 304 H TYR 59 H TYR 59 -5.180 0.082 5.855 305 HA TYR 59 HA TYR 59 -6.429 1.239 8.069 306 1HB TYR 59 2HB TYR 59 -4.557 0.181 9.321 307 2HB TYR 59 1HB TYR 59 -3.424 1.140 8.377 308 HD1 TYR 59 1HD TYR 59 -5.332 1.014 11.345 309 HD2 TYR 59 2HD TYR 59 -3.809 3.732 8.447 310 HE1 TYR 59 1HE TYR 59 -5.563 2.857 12.957 311 HE2 TYR 59 2HE TYR 59 -4.034 5.581 10.052 312 HH TYR 59 HH TYR 59 -5.659 5.937 12.231 313 H ILE 60 H ILE 60 -6.774 3.313 7.690 314 HA ILE 60 HA ILE 60 -4.895 4.940 6.214 315 HB ILE 60 HB ILE 60 -7.635 5.076 5.079 316 1HG1 ILE 60 2HG1 ILE 60 -5.678 2.879 4.359 317 2HG1 ILE 60 1HG1 ILE 60 -7.278 2.660 5.062 318 1HG2 ILE 60 1HG2 ILE 60 -5.938 6.638 4.369 319 2HG2 ILE 60 2HG2 ILE 60 -6.339 5.564 3.029 320 3HG2 ILE 60 3HG2 ILE 60 -4.852 5.316 3.943 321 1HD1 ILE 60 1HD1 ILE 60 -7.902 2.314 2.948 322 2HD1 ILE 60 2HD1 ILE 60 -6.479 3.122 2.289 323 3HD1 ILE 60 3HD1 ILE 60 -7.866 4.072 2.822 324 H GLU 61 H GLU 61 -5.365 7.213 6.399 325 HA GLU 61 HA GLU 61 -7.047 7.763 8.729 326 1HB GLU 61 2HB GLU 61 -4.509 8.638 7.964 327 2HB GLU 61 1HB GLU 61 -5.551 10.034 7.723 328 1HG GLU 61 2HG GLU 61 -6.369 9.749 10.051 329 2HG GLU 61 1HG GLU 61 -5.175 8.470 10.264 330 H ALA 62 H ALA 62 -8.438 9.583 8.792 331 HA ALA 62 HA ALA 62 -9.895 9.922 6.313 332 1HB ALA 62 1HB ALA 62 -11.679 10.536 7.588 333 2HB ALA 62 2HB ALA 62 -10.681 11.381 8.773 334 3HB ALA 62 3HB ALA 62 -10.777 9.620 8.795 335 H ASP 63 H ASP 63 -7.381 11.034 6.177 336 HA ASP 63 HA ASP 63 -7.751 13.477 5.036 337 1HB ASP 63 2HB ASP 63 -6.686 14.980 6.832 338 2HB ASP 63 1HB ASP 63 -8.384 14.557 7.032 339 H SER 64 H SER 64 -6.142 11.065 4.895 340 HA SER 64 HA SER 64 -3.459 12.282 4.887 341 1HB SER 64 2HB SER 64 -4.364 9.856 6.135 342 2HB SER 64 1HB SER 64 -3.182 9.464 4.888 343 HG SER 64 HG SER 64 -2.802 10.601 7.309 344 HA PRO 65 HA PRO 65 -3.136 11.847 0.515 345 1HB PRO 65 2HB PRO 65 -0.589 10.411 1.158 346 2HB PRO 65 1HB PRO 65 -0.884 11.704 -0.012 347 1HG PRO 65 2HG PRO 65 0.273 12.231 2.326 348 2HG PRO 65 1HG PRO 65 -0.903 13.354 1.618 349 1HD PRO 65 2HD PRO 65 -1.207 11.497 3.918 350 2HD PRO 65 1HD PRO 65 -1.994 13.057 3.611 351 H ALA 66 H ALA 66 -2.330 9.015 2.493 352 HA ALA 66 HA ALA 66 -2.542 7.059 0.507 353 1HB ALA 66 1HB ALA 66 -1.704 6.870 2.940 354 2HB ALA 66 2HB ALA 66 -2.524 5.486 2.216 355 3HB ALA 66 3HB ALA 66 -3.393 6.542 3.331 356 H GLU 67 H GLU 67 -4.992 8.556 2.550 357 HA GLU 67 HA GLU 67 -7.123 6.859 1.652 358 1HB GLU 67 2HB GLU 67 -6.744 8.731 3.711 359 2HB GLU 67 1HB GLU 67 -8.011 9.405 2.697 360 1HG GLU 67 2HG GLU 67 -7.997 6.822 4.204 361 2HG GLU 67 1HG GLU 67 -9.124 8.169 4.322 362 H ARG 68 H ARG 68 -6.206 10.238 1.055 363 HA ARG 68 HA ARG 68 -8.236 10.682 -0.887 364 1HB ARG 68 2HB ARG 68 -5.709 12.213 -0.259 365 2HB ARG 68 1HB ARG 68 -6.965 12.776 -1.354 366 1HG ARG 68 2HG ARG 68 -7.666 13.841 0.508 367 2HG ARG 68 1HG ARG 68 -8.476 12.300 0.788 368 1HD ARG 68 2HD ARG 68 -5.756 12.277 1.780 369 2HD ARG 68 1HD ARG 68 -6.693 13.589 2.490 370 HE ARG 68 HE ARG 68 -6.880 10.883 3.182 371 1HH1 ARG 68 1HH1 ARG 68 -8.976 13.587 2.452 372 2HH1 ARG 68 2HH1 ARG 68 -10.290 12.985 3.404 373 1HH2 ARG 68 1HH2 ARG 68 -8.618 10.104 4.443 374 2HH2 ARG 68 2HH2 ARG 68 -10.087 11.016 4.532 375 H CYS 69 H CYS 69 -5.374 8.930 -1.058 376 HA CYS 69 HA CYS 69 -4.358 9.567 -3.575 377 1HB CYS 69 2HB CYS 69 -3.799 7.685 -1.615 378 2HB CYS 69 1HB CYS 69 -4.277 6.707 -2.998 379 HG CYS 69 HG CYS 69 -1.775 7.046 -3.282 380 H GLY 70 H GLY 70 -7.240 7.870 -2.671 381 1HA GLY 70 2HA GLY 70 -8.976 7.051 -3.931 382 2HA GLY 70 1HA GLY 70 -8.299 7.942 -5.287 383 H VAL 71 H VAL 71 -6.503 5.508 -3.545 384 HA VAL 71 HA VAL 71 -6.976 3.545 -5.663 385 HB VAL 71 HB VAL 71 -4.168 4.224 -4.808 386 1HG1 VAL 71 1HG1 VAL 71 -3.474 2.642 -6.260 387 2HG1 VAL 71 2HG1 VAL 71 -4.765 2.978 -7.412 388 3HG1 VAL 71 3HG1 VAL 71 -5.092 1.991 -5.988 389 1HG2 VAL 71 1HG2 VAL 71 -4.613 6.179 -5.904 390 2HG2 VAL 71 2HG2 VAL 71 -5.866 5.458 -6.915 391 3HG2 VAL 71 3HG2 VAL 71 -4.165 5.166 -7.278 392 H LEU 72 H LEU 72 -5.207 4.222 -2.652 393 HA LEU 72 HA LEU 72 -4.961 1.497 -1.897 394 1HB LEU 72 2HB LEU 72 -4.694 4.085 -0.386 395 2HB LEU 72 1HB LEU 72 -4.492 2.529 0.396 396 HG LEU 72 HG LEU 72 -2.874 3.087 -2.042 397 1HD1 LEU 72 1HD1 LEU 72 -1.506 4.616 -1.131 398 2HD1 LEU 72 2HD1 LEU 72 -1.642 3.929 0.487 399 3HD1 LEU 72 3HD1 LEU 72 -2.902 5.000 -0.126 400 1HD2 LEU 72 1HD2 LEU 72 -2.035 1.792 0.530 401 2HD2 LEU 72 2HD2 LEU 72 -1.367 1.578 -1.089 402 3HD2 LEU 72 3HD2 LEU 72 -2.951 0.910 -0.691 403 H GLN 73 H GLN 73 -5.952 0.508 0.004 404 HA GLN 73 HA GLN 73 -8.445 1.579 0.977 405 1HB GLN 73 2HB GLN 73 -8.443 -0.183 -1.281 406 2HB GLN 73 1HB GLN 73 -9.163 -1.020 0.087 407 1HG GLN 73 2HG GLN 73 -11.018 0.205 -0.003 408 2HG GLN 73 1HG GLN 73 -10.121 1.710 -0.200 409 1HE2 GLN 73 1HE2 GLN 73 -9.751 2.514 -2.229 410 2HE2 GLN 73 2HE2 GLN 73 -10.502 1.871 -3.654 411 H ILE 74 H ILE 74 -9.583 -0.599 2.102 412 HA ILE 74 HA ILE 74 -7.570 -1.367 4.072 413 HB ILE 74 HB ILE 74 -10.541 -1.884 4.178 414 1HG1 ILE 74 2HG1 ILE 74 -10.045 0.539 3.980 415 2HG1 ILE 74 1HG1 ILE 74 -10.732 0.118 5.546 416 1HG2 ILE 74 1HG2 ILE 74 -9.768 -1.716 6.728 417 2HG2 ILE 74 2HG2 ILE 74 -8.261 -2.297 6.017 418 3HG2 ILE 74 3HG2 ILE 74 -9.747 -3.228 5.821 419 1HD1 ILE 74 1HD1 ILE 74 -8.907 1.727 5.734 420 2HD1 ILE 74 2HD1 ILE 74 -7.809 0.565 4.989 421 3HD1 ILE 74 3HD1 ILE 74 -8.534 0.213 6.558 422 H GLY 75 H GLY 75 -7.060 -2.671 1.765 423 1HA GLY 75 2HA GLY 75 -6.993 -5.351 2.493 424 2HA GLY 75 1HA GLY 75 -8.405 -5.152 1.466 425 H ASP 76 H ASP 76 -5.294 -3.483 1.217 426 HA ASP 76 HA ASP 76 -5.107 -4.340 -1.559 427 1HB ASP 76 2HB ASP 76 -4.077 -2.113 0.038 428 2HB ASP 76 1HB ASP 76 -2.873 -2.792 -1.053 429 H ARG 77 H ARG 77 -3.375 -5.488 -2.428 430 HA ARG 77 HA ARG 77 -1.857 -7.045 -0.453 431 1HB ARG 77 2HB ARG 77 -3.117 -7.664 -3.010 432 2HB ARG 77 1HB ARG 77 -1.460 -8.245 -2.919 433 1HG ARG 77 2HG ARG 77 -2.009 -9.894 -1.532 434 2HG ARG 77 1HG ARG 77 -2.965 -8.825 -0.507 435 1HD ARG 77 2HD ARG 77 -4.906 -9.210 -1.684 436 2HD ARG 77 1HD ARG 77 -4.049 -9.638 -3.163 437 HE ARG 77 HE ARG 77 -4.785 -11.398 -1.011 438 1HH1 ARG 77 1HH1 ARG 77 -2.609 -10.908 -3.695 439 2HH1 ARG 77 2HH1 ARG 77 -2.277 -12.594 -3.896 440 1HH2 ARG 77 1HH2 ARG 77 -4.347 -13.617 -1.273 441 2HH2 ARG 77 2HH2 ARG 77 -3.262 -14.133 -2.520 442 H VAL 78 H VAL 78 -0.243 -5.454 -0.104 443 HA VAL 78 HA VAL 78 1.259 -4.162 -2.056 444 HB VAL 78 HB VAL 78 2.567 -5.100 0.475 445 1HG1 VAL 78 1HG1 VAL 78 2.948 -2.994 -1.528 446 2HG1 VAL 78 2HG1 VAL 78 4.117 -3.782 -0.469 447 3HG1 VAL 78 3HG1 VAL 78 3.122 -2.463 0.144 448 1HG2 VAL 78 1HG2 VAL 78 0.883 -4.263 1.685 449 2HG2 VAL 78 2HG2 VAL 78 0.124 -3.530 0.272 450 3HG2 VAL 78 3HG2 VAL 78 1.413 -2.677 1.122 451 H MET 79 H MET 79 3.505 -4.553 -2.728 452 HA MET 79 HA MET 79 4.375 -7.331 -2.660 453 1HB MET 79 2HB MET 79 2.965 -6.304 -4.860 454 2HB MET 79 1HB MET 79 4.648 -6.347 -5.361 455 1HG MET 79 2HG MET 79 3.663 -8.757 -3.991 456 2HG MET 79 1HG MET 79 2.951 -8.422 -5.569 457 1HE MET 79 1HE MET 79 7.111 -9.244 -4.261 458 2HE MET 79 2HE MET 79 6.186 -10.730 -4.475 459 3HE MET 79 3HE MET 79 5.567 -9.449 -3.434 460 H ALA 80 H ALA 80 5.077 -4.113 -4.045 461 HA ALA 80 HA ALA 80 7.806 -4.339 -3.023 462 1HB ALA 80 1HB ALA 80 8.439 -5.035 -5.085 463 2HB ALA 80 2HB ALA 80 8.435 -3.299 -5.396 464 3HB ALA 80 3HB ALA 80 7.057 -4.286 -5.885 465 H ILE 81 H ILE 81 7.162 -2.709 -1.550 466 HA ILE 81 HA ILE 81 6.192 -0.173 -2.489 467 HB ILE 81 HB ILE 81 7.362 -0.780 0.222 468 1HG1 ILE 81 2HG1 ILE 81 4.431 -0.749 -0.107 469 2HG1 ILE 81 1HG1 ILE 81 5.252 -2.127 -0.837 470 1HG2 ILE 81 1HG2 ILE 81 6.351 1.585 -0.969 471 2HG2 ILE 81 2HG2 ILE 81 6.912 1.339 0.685 472 3HG2 ILE 81 3HG2 ILE 81 5.216 1.075 0.281 473 1HD1 ILE 81 1HD1 ILE 81 4.702 -2.850 1.300 474 2HD1 ILE 81 2HD1 ILE 81 5.148 -1.313 2.038 475 3HD1 ILE 81 3HD1 ILE 81 6.399 -2.395 1.433 476 H ASN 82 H ASN 82 7.463 1.173 -3.576 477 HA ASN 82 HA ASN 82 9.321 2.252 -4.346 478 1HB ASN 82 2HB ASN 82 10.402 3.613 -2.735 479 2HB ASN 82 1HB ASN 82 8.765 3.376 -2.132 480 1HD2 ASN 82 1HD2 ASN 82 8.434 2.181 -0.286 481 2HD2 ASN 82 2HD2 ASN 82 9.725 1.704 0.767 482 H GLY 83 H GLY 83 9.572 -0.664 -4.036 483 1HA GLY 83 2HA GLY 83 11.555 -1.760 -4.948 484 2HA GLY 83 1HA GLY 83 12.518 -0.780 -3.853 485 H ILE 84 H ILE 84 11.269 -1.068 -1.465 486 HA ILE 84 HA ILE 84 12.114 -3.650 -0.642 487 HB ILE 84 HB ILE 84 10.416 -1.712 0.923 488 1HG1 ILE 84 2HG1 ILE 84 12.523 -0.721 -0.082 489 2HG1 ILE 84 1HG1 ILE 84 12.395 -0.633 1.672 490 1HG2 ILE 84 1HG2 ILE 84 12.301 -3.897 1.796 491 2HG2 ILE 84 2HG2 ILE 84 10.542 -3.915 1.919 492 3HG2 ILE 84 3HG2 ILE 84 11.481 -2.767 2.873 493 1HD1 ILE 84 1HD1 ILE 84 14.642 -1.234 0.963 494 2HD1 ILE 84 2HD1 ILE 84 14.006 -2.651 0.124 495 3HD1 ILE 84 3HD1 ILE 84 13.894 -2.542 1.882 496 HA PRO 85 HA PRO 85 8.028 -5.428 -1.366 497 1HB PRO 85 2HB PRO 85 8.850 -7.863 -2.086 498 2HB PRO 85 1HB PRO 85 9.045 -6.475 -3.164 499 1HG PRO 85 2HG PRO 85 11.078 -7.933 -1.581 500 2HG PRO 85 1HG PRO 85 11.267 -7.016 -3.083 501 1HD PRO 85 2HD PRO 85 11.810 -6.147 -0.404 502 2HD PRO 85 1HD PRO 85 11.969 -5.217 -1.904 503 H THR 86 H THR 86 6.739 -6.972 -0.285 504 HA THR 86 HA THR 86 7.957 -8.249 2.067 505 HB THR 86 HB THR 86 6.376 -7.432 3.540 506 HG1 THR 86 1HG THR 86 4.342 -6.670 2.892 507 1HG2 THR 86 1HG2 THR 86 5.871 -5.051 1.950 508 2HG2 THR 86 2HG2 THR 86 7.574 -5.497 2.032 509 3HG2 THR 86 3HG2 THR 86 6.661 -5.231 3.517 510 H GLU 87 H GLU 87 7.730 -10.372 1.838 511 HA GLU 87 HA GLU 87 5.260 -11.384 0.590 512 1HB GLU 87 2HB GLU 87 7.765 -11.743 -0.364 513 2HB GLU 87 1HB GLU 87 7.626 -13.153 0.675 514 1HG GLU 87 2HG GLU 87 5.396 -13.564 -0.527 515 2HG GLU 87 1HG GLU 87 5.999 -12.421 -1.726 516 H ASP 88 H ASP 88 7.844 -12.829 2.583 517 HA ASP 88 HA ASP 88 5.734 -13.993 4.274 518 1HB ASP 88 2HB ASP 88 7.364 -15.751 4.838 519 2HB ASP 88 1HB ASP 88 7.079 -15.663 3.101 520 H SER 89 H SER 89 5.483 -12.950 6.126 521 HA SER 89 HA SER 89 5.908 -11.672 7.970 522 1HB SER 89 2HB SER 89 8.407 -13.373 8.096 523 2HB SER 89 1HB SER 89 7.608 -12.569 9.447 524 HG SER 89 HG SER 89 6.320 -14.507 7.834 525 H THR 90 H THR 90 6.229 -9.700 6.820 526 HA THR 90 HA THR 90 8.969 -8.706 7.073 527 HB THR 90 HB THR 90 8.030 -7.409 4.801 528 HG1 THR 90 1HG THR 90 6.428 -9.137 4.710 529 1HG2 THR 90 1HG2 THR 90 9.726 -8.584 3.588 530 2HG2 THR 90 2HG2 THR 90 9.800 -9.838 4.824 531 3HG2 THR 90 3HG2 THR 90 10.333 -8.201 5.198 532 H PHE 91 H PHE 91 6.551 -8.372 8.662 533 HA PHE 91 HA PHE 91 5.245 -5.949 8.195 534 1HB PHE 91 2HB PHE 91 4.513 -7.614 9.869 535 2HB PHE 91 1HB PHE 91 5.905 -7.207 10.867 536 HD1 PHE 91 1HD PHE 91 3.037 -5.512 9.185 537 HD2 PHE 91 2HD PHE 91 5.585 -5.727 12.586 538 HE1 PHE 91 1HE PHE 91 1.732 -3.731 10.271 539 HE2 PHE 91 2HE PHE 91 4.285 -3.947 13.679 540 HZ PHE 91 HZ PHE 91 2.353 -2.947 12.521 541 H GLU 92 H GLU 92 8.160 -6.628 10.113 542 HA GLU 92 HA GLU 92 8.625 -4.012 10.994 543 1HB GLU 92 2HB GLU 92 10.017 -6.530 11.020 544 2HB GLU 92 1HB GLU 92 11.141 -5.240 10.615 545 1HG GLU 92 2HG GLU 92 11.107 -5.630 13.001 546 2HG GLU 92 1HG GLU 92 10.478 -4.027 12.626 547 H GLU 93 H GLU 93 9.790 -5.725 8.113 548 HA GLU 93 HA GLU 93 11.397 -3.650 7.107 549 1HB GLU 93 2HB GLU 93 10.048 -6.027 5.860 550 2HB GLU 93 1HB GLU 93 10.893 -4.854 4.858 551 1HG GLU 93 2HG GLU 93 12.282 -6.053 7.206 552 2HG GLU 93 1HG GLU 93 12.115 -6.984 5.719 553 H ALA 94 H ALA 94 7.968 -4.259 6.962 554 HA ALA 94 HA ALA 94 7.349 -2.480 4.848 555 1HB ALA 94 1HB ALA 94 5.378 -2.992 7.015 556 2HB ALA 94 2HB ALA 94 5.925 -4.354 6.035 557 3HB ALA 94 3HB ALA 94 5.154 -2.966 5.266 558 H ASN 95 H ASN 95 7.469 -2.103 8.365 559 HA ASN 95 HA ASN 95 6.512 0.566 8.397 560 1HB ASN 95 2HB ASN 95 7.945 -1.200 10.345 561 2HB ASN 95 1HB ASN 95 7.835 0.526 10.680 562 1HD2 ASN 95 1HD2 ASN 95 5.612 -1.887 9.321 563 2HD2 ASN 95 2HD2 ASN 95 4.310 -1.547 10.412 564 H GLN 96 H GLN 96 9.744 -0.856 8.291 565 HA GLN 96 HA GLN 96 11.191 1.530 8.532 566 1HB GLN 96 2HB GLN 96 11.965 -1.059 7.181 567 2HB GLN 96 1HB GLN 96 13.080 0.237 7.591 568 1HG GLN 96 2HG GLN 96 11.440 -1.335 9.563 569 2HG GLN 96 1HG GLN 96 13.143 -1.608 9.199 570 1HE2 GLN 96 1HE2 GLN 96 11.619 -0.747 11.657 571 2HE2 GLN 96 2HE2 GLN 96 12.455 0.670 12.202 572 H LEU 97 H LEU 97 10.345 -0.364 5.630 573 HA LEU 97 HA LEU 97 11.464 1.366 3.756 574 1HB LEU 97 2HB LEU 97 10.008 0.293 2.112 575 2HB LEU 97 1HB LEU 97 10.769 -0.877 3.169 576 HG LEU 97 HG LEU 97 8.572 -0.842 4.494 577 1HD1 LEU 97 1HD1 LEU 97 6.854 -0.328 2.350 578 2HD1 LEU 97 2HD1 LEU 97 7.958 1.044 2.412 579 3HD1 LEU 97 3HD1 LEU 97 7.020 0.603 3.838 580 1HD2 LEU 97 1HD2 LEU 97 9.312 -2.722 3.134 581 2HD2 LEU 97 2HD2 LEU 97 8.646 -1.955 1.691 582 3HD2 LEU 97 3HD2 LEU 97 7.572 -2.489 2.983 583 H LEU 98 H LEU 98 8.335 1.461 5.353 584 HA LEU 98 HA LEU 98 7.342 3.591 3.699 585 1HB LEU 98 2HB LEU 98 5.386 2.964 4.533 586 2HB LEU 98 1HB LEU 98 6.221 1.748 5.475 587 HG LEU 98 HG LEU 98 6.527 3.656 7.210 588 1HD1 LEU 98 1HD1 LEU 98 4.644 4.826 5.262 589 2HD1 LEU 98 2HD1 LEU 98 5.784 5.610 6.356 590 3HD1 LEU 98 3HD1 LEU 98 4.237 5.023 6.967 591 1HD2 LEU 98 1HD2 LEU 98 3.908 3.193 7.750 592 2HD2 LEU 98 2HD2 LEU 98 5.217 2.068 8.112 593 3HD2 LEU 98 3HD2 LEU 98 4.268 1.873 6.639 594 H ARG 99 H ARG 99 8.914 3.308 6.819 595 HA ARG 99 HA ARG 99 8.489 5.974 7.665 596 1HB ARG 99 2HB ARG 99 9.998 3.658 8.571 597 2HB ARG 99 1HB ARG 99 10.882 5.156 8.831 598 1HG ARG 99 2HG ARG 99 9.679 4.833 10.800 599 2HG ARG 99 1HG ARG 99 8.745 6.034 9.907 600 1HD ARG 99 2HD ARG 99 7.275 4.227 9.086 601 2HD ARG 99 1HD ARG 99 8.180 3.075 10.068 602 HE ARG 99 HE ARG 99 7.006 3.785 11.890 603 1HH1 ARG 99 1HH1 ARG 99 6.745 6.215 9.399 604 2HH1 ARG 99 2HH1 ARG 99 5.613 7.181 10.285 605 1HH2 ARG 99 1HH2 ARG 99 5.516 5.054 13.056 606 2HH2 ARG 99 2HH2 ARG 99 4.916 6.521 12.361 607 H ASP 100 H ASP 100 10.782 4.497 5.510 608 HA ASP 100 HA ASP 100 12.740 6.531 5.547 609 1HB ASP 100 2HB ASP 100 12.898 4.144 4.581 610 2HB ASP 100 1HB ASP 100 12.153 4.828 3.139 611 H SER 101 H SER 101 9.599 6.468 4.295 612 HA SER 101 HA SER 101 9.969 8.255 2.100 613 1HB SER 101 2HB SER 101 7.353 7.989 3.538 614 2HB SER 101 1HB SER 101 7.666 8.146 1.810 615 HG SER 101 HG SER 101 8.666 5.983 2.036 616 H SER 102 H SER 102 9.690 8.635 5.512 617 HA SER 102 HA SER 102 8.693 11.298 5.545 618 1HB SER 102 2HB SER 102 8.634 9.737 7.503 619 2HB SER 102 1HB SER 102 10.382 9.923 7.648 620 HG SER 102 HG SER 102 9.146 11.346 9.015 621 H ILE 103 H ILE 103 11.861 9.859 5.261 622 HA ILE 103 HA ILE 103 13.267 12.355 5.614 623 HB ILE 103 HB ILE 103 14.373 9.779 4.510 624 1HG1 ILE 103 2HG1 ILE 103 13.604 10.558 7.263 625 2HG1 ILE 103 1HG1 ILE 103 13.706 8.970 6.519 626 1HG2 ILE 103 1HG2 ILE 103 16.473 10.627 4.937 627 2HG2 ILE 103 2HG2 ILE 103 15.873 11.805 6.105 628 3HG2 ILE 103 3HG2 ILE 103 15.600 12.056 4.379 629 1HD1 ILE 103 1HD1 ILE 103 15.309 9.121 8.284 630 2HD1 ILE 103 2HD1 ILE 103 15.985 10.597 7.595 631 3HD1 ILE 103 3HD1 ILE 103 16.160 9.065 6.740 632 H THR 104 H THR 104 12.380 10.217 2.945 633 HA THR 104 HA THR 104 13.630 11.884 0.963 634 HB THR 104 HB THR 104 11.775 9.510 0.725 635 HG1 THR 104 1HG THR 104 14.575 9.800 0.398 636 1HG2 THR 104 1HG2 THR 104 13.320 10.911 -1.444 637 2HG2 THR 104 2HG2 THR 104 11.566 10.803 -1.299 638 3HG2 THR 104 3HG2 THR 104 12.515 9.348 -1.607 639 H SER 105 H SER 105 10.620 11.752 2.546 640 HA SER 105 HA SER 105 8.849 13.188 2.509 641 1HB SER 105 2HB SER 105 9.986 14.548 0.072 642 2HB SER 105 1HB SER 105 8.917 15.218 1.304 643 HG SER 105 HG SER 105 10.586 15.368 2.693 644 H LYS 106 H LYS 106 9.633 10.986 0.181 645 HA LYS 106 HA LYS 106 6.901 10.842 -0.719 646 1HB LYS 106 2HB LYS 106 8.290 12.444 -2.267 647 2HB LYS 106 1HB LYS 106 8.926 10.939 -2.918 648 1HG LYS 106 2HG LYS 106 6.303 10.386 -2.994 649 2HG LYS 106 1HG LYS 106 6.247 12.139 -3.180 650 1HD LYS 106 2HD LYS 106 8.226 11.534 -4.911 651 2HD LYS 106 1HD LYS 106 7.256 10.066 -5.019 652 1HE LYS 106 2HE LYS 106 5.289 11.365 -5.566 653 2HE LYS 106 1HE LYS 106 6.184 12.866 -5.345 654 1HZ LYS 106 1HZ LYS 106 6.128 11.072 -7.601 655 2HZ LYS 106 2HZ LYS 106 7.684 11.570 -7.164 656 3HZ LYS 106 3HZ LYS 106 6.502 12.721 -7.540 657 H VAL 107 H VAL 107 6.367 8.862 -1.721 658 HA VAL 107 HA VAL 107 8.426 6.829 -1.969 659 HB VAL 107 HB VAL 107 7.767 6.742 0.416 660 1HG1 VAL 107 1HG1 VAL 107 5.235 7.252 -0.474 661 2HG1 VAL 107 2HG1 VAL 107 5.653 6.689 1.144 662 3HG1 VAL 107 3HG1 VAL 107 5.158 5.532 -0.092 663 1HG2 VAL 107 1HG2 VAL 107 6.939 4.363 -1.242 664 2HG2 VAL 107 2HG2 VAL 107 7.305 4.325 0.482 665 3HG2 VAL 107 3HG2 VAL 107 8.568 4.734 -0.678 666 H THR 108 H THR 108 7.741 4.968 -3.125 667 HA THR 108 HA THR 108 5.259 5.399 -4.645 668 HB THR 108 HB THR 108 6.638 3.514 -6.069 669 HG1 THR 108 1HG THR 108 8.554 5.334 -5.046 670 1HG2 THR 108 1HG2 THR 108 6.884 6.499 -6.332 671 2HG2 THR 108 2HG2 THR 108 5.660 5.471 -7.076 672 3HG2 THR 108 3HG2 THR 108 7.348 5.325 -7.563 673 H LEU 109 H LEU 109 3.654 4.233 -3.847 674 HA LEU 109 HA LEU 109 4.146 1.702 -2.517 675 1HB LEU 109 2HB LEU 109 2.268 3.743 -2.248 676 2HB LEU 109 1HB LEU 109 1.356 2.402 -2.913 677 HG LEU 109 HG LEU 109 1.186 2.345 -0.523 678 1HD1 LEU 109 1HD1 LEU 109 2.640 0.133 -0.163 679 2HD1 LEU 109 2HD1 LEU 109 2.697 0.226 -1.923 680 3HD1 LEU 109 3HD1 LEU 109 1.143 0.157 -1.094 681 1HD2 LEU 109 1HD2 LEU 109 2.967 3.516 0.353 682 2HD2 LEU 109 2HD2 LEU 109 4.151 2.668 -0.642 683 3HD2 LEU 109 3HD2 LEU 109 3.415 1.853 0.737 684 H GLU 110 H GLU 110 3.907 -0.251 -3.404 685 HA GLU 110 HA GLU 110 2.441 -0.446 -5.960 686 1HB GLU 110 2HB GLU 110 4.866 -2.018 -5.064 687 2HB GLU 110 1HB GLU 110 3.953 -2.334 -6.532 688 1HG GLU 110 2HG GLU 110 4.479 0.194 -7.013 689 2HG GLU 110 1HG GLU 110 5.809 -0.105 -5.894 690 H ILE 111 H ILE 111 0.507 -1.288 -5.399 691 HA ILE 111 HA ILE 111 0.517 -3.700 -3.733 692 HB ILE 111 HB ILE 111 -1.702 -3.049 -2.948 693 1HG1 ILE 111 2HG1 ILE 111 -2.178 -1.566 -4.946 694 2HG1 ILE 111 1HG1 ILE 111 -2.696 -0.954 -3.377 695 1HG2 ILE 111 1HG2 ILE 111 -0.908 -1.044 -1.561 696 2HG2 ILE 111 2HG2 ILE 111 0.619 -1.243 -2.420 697 3HG2 ILE 111 3HG2 ILE 111 -0.012 -2.557 -1.427 698 1HD1 ILE 111 1HD1 ILE 111 -0.079 -0.005 -3.811 699 2HD1 ILE 111 2HD1 ILE 111 -1.586 0.909 -3.776 700 3HD1 ILE 111 3HD1 ILE 111 -0.989 0.254 -5.299 701 H GLU 112 H GLU 112 -1.348 -5.111 -4.056 702 HA GLU 112 HA GLU 112 -2.079 -5.241 -6.895 703 1HB GLU 112 2HB GLU 112 -0.917 -7.193 -5.719 704 2HB GLU 112 1HB GLU 112 -2.425 -7.429 -4.847 705 1HG GLU 112 2HG GLU 112 -3.098 -7.247 -7.569 706 2HG GLU 112 1HG GLU 112 -1.690 -8.305 -7.463 707 H PHE 113 H PHE 113 -4.036 -4.559 -7.418 708 HA PHE 113 HA PHE 113 -6.124 -4.514 -5.351 709 1HB PHE 113 2HB PHE 113 -7.181 -2.755 -6.670 710 2HB PHE 113 1HB PHE 113 -5.502 -2.335 -6.341 711 HD1 PHE 113 1HD PHE 113 -3.981 -1.953 -8.093 712 HD2 PHE 113 2HD PHE 113 -7.785 -3.669 -8.917 713 HE1 PHE 113 1HE PHE 113 -3.578 -1.675 -10.502 714 HE2 PHE 113 2HE PHE 113 -7.392 -3.394 -11.327 715 HZ PHE 113 HZ PHE 113 -5.289 -2.405 -12.127 716 H ASP 114 H ASP 114 -8.347 -4.887 -6.069 717 HA ASP 114 HA ASP 114 -8.570 -6.659 -8.400 718 1HB ASP 114 2HB ASP 114 -8.385 -8.011 -6.297 719 2HB ASP 114 1HB ASP 114 -9.853 -7.230 -5.719 720 H VAL 115 H VAL 115 -9.687 -5.227 -9.644 721 HA VAL 115 HA VAL 115 -11.945 -3.770 -8.555 722 HB VAL 115 HB VAL 115 -11.179 -3.841 -11.462 723 1HG1 VAL 115 1HG1 VAL 115 -12.847 -2.156 -9.705 724 2HG1 VAL 115 2HG1 VAL 115 -13.047 -2.572 -11.406 725 3HG1 VAL 115 3HG1 VAL 115 -11.902 -1.316 -10.934 726 1HG2 VAL 115 1HG2 VAL 115 -9.885 -2.252 -9.254 727 2HG2 VAL 115 2HG2 VAL 115 -9.741 -1.849 -10.965 728 3HG2 VAL 115 3HG2 VAL 115 -9.113 -3.382 -10.364 729 H ALA 116 H ALA 116 -14.077 -4.106 -9.021 730 HA ALA 116 HA ALA 116 -14.830 -6.206 -10.893 731 1HB ALA 116 1HB ALA 116 -15.263 -6.356 -7.935 732 2HB ALA 116 2HB ALA 116 -14.685 -7.600 -9.044 733 3HB ALA 116 3HB ALA 116 -16.387 -7.135 -9.048 734 H GLU 117 H GLU 117 -15.223 -3.556 -11.284 735 HA GLU 117 HA GLU 117 -18.136 -3.356 -11.112 736 1HB GLU 117 2HB GLU 117 -16.201 -1.212 -10.226 737 2HB GLU 117 1HB GLU 117 -17.900 -0.906 -10.560 738 1HG GLU 117 2HG GLU 117 -17.427 -3.119 -8.712 739 2HG GLU 117 1HG GLU 117 -16.866 -1.553 -8.131 740 H SER 118 H SER 118 -17.128 -4.163 -13.365 741 HA SER 118 HA SER 118 -16.694 -1.812 -15.072 742 1HB SER 118 2HB SER 118 -16.231 -3.878 -16.742 743 2HB SER 118 1HB SER 118 -14.984 -3.183 -15.706 744 HG SER 118 HG SER 118 -16.626 -5.388 -15.002
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