NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
537979 | 2lrj | 18375 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 -29.887 13.188 10.025 2 H2 GLY 1 H2 GLY 1 -30.167 12.128 8.734 3 H3 GLY 1 H3 GLY 1 -28.730 13.021 8.802 4 HA2 GLY 1 HA2 GLY 1 -27.994 11.831 10.731 5 HA3 GLY 1 HA1 GLY 1 -29.528 10.970 10.788 6 H SER 2 H SER 2 -26.431 10.542 10.070 7 HA SER 2 HA SER 2 -27.060 8.488 8.057 8 HB2 SER 2 HB2 SER 2 -24.491 10.087 8.157 9 HB3 SER 2 HB3 SER 2 -24.960 8.904 6.935 10 HG SER 2 HG SER 2 -26.030 11.479 7.424 11 H SER 3 H SER 3 -26.373 6.505 8.569 12 HA SER 3 HA SER 3 -25.402 5.894 11.117 13 HB2 SER 3 HB2 SER 3 -24.996 3.597 10.049 14 HB3 SER 3 HB3 SER 3 -26.642 4.225 9.986 15 HG SER 3 HG SER 3 -26.027 3.422 7.956 16 H ILE 4 H ILE 4 -23.739 5.627 7.979 17 HA ILE 4 HA ILE 4 -21.552 5.385 7.425 18 HB ILE 4 HB ILE 4 -21.104 7.467 9.574 19 HG12 ILE 4 2HG1 ILE 4 -21.864 7.792 6.660 20 HG13 ILE 4 3HG1 ILE 4 -22.904 8.135 8.036 21 HG21 ILE 4 2HG2 ILE 4 -19.033 6.519 8.760 22 HG22 ILE 4 1HG2 ILE 4 -19.223 8.149 8.112 23 HG23 ILE 4 3HG2 ILE 4 -19.549 6.749 7.089 24 HD11 ILE 4 3HD1 ILE 4 -22.012 10.176 7.119 25 HD12 ILE 4 2HD1 ILE 4 -20.365 9.579 7.316 26 HD13 ILE 4 1HD1 ILE 4 -21.361 9.907 8.736 27 H SER 5 H SER 5 -21.663 3.225 8.334 28 HA SER 5 HA SER 5 -19.597 2.865 10.354 29 HB2 SER 5 HB2 SER 5 -22.273 1.459 10.506 30 HB3 SER 5 HB3 SER 5 -20.919 1.258 11.618 31 HG SER 5 HG SER 5 -21.433 3.840 11.511 32 H HIS 6 H HIS 6 -21.966 0.892 8.503 33 HA HIS 6 HA HIS 6 -19.794 -0.750 7.525 34 HB2 HIS 6 HB2 HIS 6 -22.027 -1.756 7.962 35 HB3 HIS 6 HB3 HIS 6 -22.697 -0.774 6.662 36 HD1 HIS 6 HD1 HIS 6 -19.835 -3.268 7.048 37 HD2 HIS 6 HD2 HIS 6 -22.757 -2.115 4.314 38 HE1 HIS 6 HE1 HIS 6 -19.555 -4.795 5.064 39 HE2 HIS 6 HE2 HIS 6 -21.196 -3.943 3.348 40 H SER 7 H SER 7 -18.854 1.375 6.829 41 HA SER 7 HA SER 7 -19.258 1.561 3.960 42 HB2 SER 7 HB2 SER 7 -19.001 4.094 4.140 43 HB3 SER 7 HB3 SER 7 -20.553 3.439 4.657 44 HG SER 7 HG SER 7 -19.448 5.039 6.073 45 H GLY 8 H GLY 8 -17.419 3.294 6.442 46 HA2 GLY 8 HA1 GLY 8 -15.187 3.432 6.905 47 HA3 GLY 8 HA2 GLY 8 -15.070 1.799 6.276 48 H ASN 9 H ASN 9 -14.398 1.462 4.187 49 HA ASN 9 HA ASN 9 -12.680 3.549 3.182 50 HB2 ASN 9 HB2 ASN 9 -12.115 1.052 3.357 51 HB3 ASN 9 HB3 ASN 9 -13.135 0.841 1.939 52 HD21 ASN 9 1HD2 ASN 9 -10.333 0.315 2.224 53 HD22 ASN 9 2HD2 ASN 9 -9.528 1.307 1.046 54 H LEU 10 H LEU 10 -12.957 4.705 1.380 55 HA LEU 10 HA LEU 10 -15.562 4.887 0.200 56 HB2 LEU 10 HB2 LEU 10 -12.952 6.221 -0.493 57 HB3 LEU 10 HB3 LEU 10 -14.512 6.676 -1.156 58 HG LEU 10 HG LEU 10 -13.699 6.892 1.747 59 HD11 LEU 10 2HD1 LEU 10 -12.595 8.546 0.354 60 HD12 LEU 10 1HD1 LEU 10 -13.833 9.308 1.353 61 HD13 LEU 10 3HD1 LEU 10 -14.142 9.005 -0.356 62 HD21 LEU 10 3HD2 LEU 10 -16.248 7.721 0.365 63 HD22 LEU 10 2HD2 LEU 10 -15.830 8.049 2.046 64 HD23 LEU 10 1HD2 LEU 10 -16.073 6.388 1.505 65 H TYR 11 H TYR 11 -12.903 2.962 -0.359 66 HA TYR 11 HA TYR 11 -12.951 2.902 -3.218 67 HB2 TYR 11 HB2 TYR 11 -11.443 1.618 -1.050 68 HB3 TYR 11 HB3 TYR 11 -11.635 0.625 -2.487 69 HD1 TYR 11 HD2 TYR 11 -10.677 1.324 -4.609 70 HD2 TYR 11 HD1 TYR 11 -10.090 3.600 -1.066 71 HE1 TYR 11 HE2 TYR 11 -8.813 2.494 -5.690 72 HE2 TYR 11 HE1 TYR 11 -8.221 4.788 -2.131 73 HH TYR 11 HH TYR 11 -7.612 4.708 -5.415 74 H THR 12 H THR 12 -12.812 0.365 -3.936 75 HA THR 12 HA THR 12 -15.540 -0.417 -4.126 76 HB THR 12 HB THR 12 -13.258 -2.160 -4.988 77 HG1 THR 12 HG1 THR 12 -14.022 0.318 -6.198 78 HG21 THR 12 3HG2 THR 12 -14.657 -2.474 -6.968 79 HG22 THR 12 1HG2 THR 12 -15.824 -1.307 -6.342 80 HG23 THR 12 2HG2 THR 12 -15.567 -2.836 -5.502 81 H ALA 13 H ALA 13 -14.475 -3.374 -4.164 82 HA ALA 13 HA ALA 13 -14.599 -3.808 -1.279 83 HB1 ALA 13 HB1 ALA 13 -16.776 -4.310 -2.284 84 HB2 ALA 13 HB2 ALA 13 -15.998 -5.462 -3.370 85 HB3 ALA 13 HB3 ALA 13 -16.011 -5.759 -1.630 86 H GLY 14 H GLY 14 -12.469 -3.731 -3.382 87 HA2 GLY 14 HA1 GLY 14 -10.762 -5.694 -2.458 88 HA3 GLY 14 HA2 GLY 14 -11.567 -6.374 -3.869 89 H GLN 15 H GLN 15 -9.697 -3.616 -2.745 90 HA GLN 15 HA GLN 15 -8.490 -3.439 -5.428 91 HB2 GLN 15 HB2 GLN 15 -9.290 -1.118 -3.655 92 HB3 GLN 15 HB3 GLN 15 -8.376 -0.976 -5.149 93 HG2 GLN 15 HG2 GLN 15 -11.093 -2.233 -5.077 94 HG3 GLN 15 HG3 GLN 15 -10.870 -0.490 -5.224 95 HE21 GLN 15 1HE2 GLN 15 -10.270 -3.590 -6.746 96 HE22 GLN 15 2HE2 GLN 15 -10.067 -2.951 -8.336 97 H CYS 16 H CYS 16 -6.299 -2.616 -5.430 98 HA CYS 16 HA CYS 16 -4.690 -3.577 -3.334 99 HB2 CYS 16 HB2 CYS 16 -4.250 -2.645 -5.895 100 HB3 CYS 16 HB3 CYS 16 -3.488 -1.412 -4.896 101 HG CYS 16 HG CYS 16 -1.541 -2.921 -3.876 102 H THR 17 H THR 17 -5.836 -0.347 -4.150 103 HA THR 17 HA THR 17 -4.567 0.835 -1.826 104 HB THR 17 HB THR 17 -5.945 2.877 -2.796 105 HG1 THR 17 HG1 THR 17 -6.551 2.598 -4.898 106 HG21 THR 17 3HG2 THR 17 -3.607 1.689 -4.292 107 HG22 THR 17 1HG2 THR 17 -3.491 2.659 -2.825 108 HG23 THR 17 2HG2 THR 17 -4.115 3.377 -4.310 109 H TRP 18 H TRP 18 -7.242 -0.970 -2.241 110 HA TRP 18 HA TRP 18 -8.975 0.450 -0.377 111 HB2 TRP 18 HB2 TRP 18 -10.026 -0.727 -2.222 112 HB3 TRP 18 HB3 TRP 18 -9.213 -2.218 -1.778 113 HD1 TRP 18 HD1 TRP 18 -12.010 0.130 -0.507 114 HE1 TRP 18 HE1 TRP 18 -13.626 -1.281 0.913 115 HE3 TRP 18 HE3 TRP 18 -9.454 -4.308 -0.460 116 HZ2 TRP 18 HZ2 TRP 18 -13.806 -3.887 1.932 117 HZ3 TRP 18 HZ3 TRP 18 -10.428 -6.202 0.762 118 HH2 TRP 18 HH2 TRP 18 -12.558 -6.001 1.935 119 H TYR 19 H TYR 19 -7.412 -2.734 -0.610 120 HA TYR 19 HA TYR 19 -7.838 -3.575 2.012 121 HB2 TYR 19 HB2 TYR 19 -7.138 -5.092 0.249 122 HB3 TYR 19 HB3 TYR 19 -5.608 -4.244 0.080 123 HD1 TYR 19 HD1 TYR 19 -7.581 -6.007 2.739 124 HD2 TYR 19 HD2 TYR 19 -3.763 -5.194 1.045 125 HE1 TYR 19 HE1 TYR 19 -6.546 -7.573 4.331 126 HE2 TYR 19 HE2 TYR 19 -2.722 -6.753 2.630 127 HH TYR 19 HH TYR 19 -3.095 -7.821 4.677 128 H VAL 20 H VAL 20 -5.067 -1.894 0.590 129 HA VAL 20 HA VAL 20 -3.413 -1.648 2.779 130 HB VAL 20 HB VAL 20 -3.942 0.249 0.501 131 HG11 VAL 20 2HG1 VAL 20 -1.786 0.490 2.594 132 HG12 VAL 20 1HG1 VAL 20 -3.152 1.585 2.381 133 HG13 VAL 20 3HG1 VAL 20 -1.918 1.462 1.128 134 HG21 VAL 20 3HG2 VAL 20 -2.904 -1.871 -0.076 135 HG22 VAL 20 2HG2 VAL 20 -1.649 -1.604 1.134 136 HG23 VAL 20 1HG2 VAL 20 -1.757 -0.545 -0.273 137 H TYR 21 H TYR 21 -6.067 0.527 1.849 138 HA TYR 21 HA TYR 21 -5.621 2.442 3.860 139 HB2 TYR 21 HB2 TYR 21 -6.937 2.805 1.772 140 HB3 TYR 21 HB3 TYR 21 -8.218 1.807 2.446 141 HD1 TYR 21 HD2 TYR 21 -6.272 4.915 3.099 142 HD2 TYR 21 HD1 TYR 21 -9.891 2.761 3.725 143 HE1 TYR 21 HE2 TYR 21 -7.268 6.898 4.148 144 HE2 TYR 21 HE1 TYR 21 -10.898 4.739 4.768 145 HH TYR 21 HH TYR 21 -9.446 7.843 4.615 146 H ASP 22 H ASP 22 -7.725 -0.403 3.738 147 HA ASP 22 HA ASP 22 -8.924 0.102 6.271 148 HB2 ASP 22 HB2 ASP 22 -8.822 -2.304 4.479 149 HB3 ASP 22 HB3 ASP 22 -9.543 -2.392 6.084 150 H LYS 23 H LYS 23 -5.987 -1.484 5.292 151 HA LYS 23 HA LYS 23 -5.640 -2.881 7.789 152 HB2 LYS 23 HB2 LYS 23 -3.819 -2.453 5.425 153 HB3 LYS 23 HB3 LYS 23 -3.341 -3.358 6.854 154 HG2 LYS 23 HG2 LYS 23 -5.739 -4.048 5.180 155 HG3 LYS 23 HG3 LYS 23 -4.136 -4.738 4.928 156 HD2 LYS 23 HD2 LYS 23 -5.629 -4.890 7.543 157 HD3 LYS 23 HD3 LYS 23 -5.700 -6.145 6.303 158 HE2 LYS 23 HE2 LYS 23 -3.240 -6.372 6.454 159 HE3 LYS 23 HE3 LYS 23 -3.236 -5.192 7.764 160 HZ1 LYS 23 HZ1 LYS 23 -4.512 -6.664 9.122 161 HZ2 LYS 23 HZ2 LYS 23 -3.197 -7.540 8.510 162 HZ3 LYS 23 HZ3 LYS 23 -4.736 -7.754 7.840 163 H VAL 24 H VAL 24 -5.008 0.293 6.680 164 HA VAL 24 HA VAL 24 -3.057 0.723 8.830 165 HB VAL 24 HB VAL 24 -2.665 2.938 7.877 166 HG11 VAL 24 2HG1 VAL 24 -1.343 1.073 7.063 167 HG12 VAL 24 1HG1 VAL 24 -1.635 2.232 5.767 168 HG13 VAL 24 3HG1 VAL 24 -2.556 0.730 5.830 169 HG21 VAL 24 3HG2 VAL 24 -4.903 3.392 7.021 170 HG22 VAL 24 2HG2 VAL 24 -4.688 2.155 5.782 171 HG23 VAL 24 1HG2 VAL 24 -3.688 3.608 5.761 172 H GLY 25 H GLY 25 -6.246 0.577 8.634 173 HA2 GLY 25 HA1 GLY 25 -7.840 1.183 10.185 174 HA3 GLY 25 HA2 GLY 25 -6.607 2.098 11.034 175 H GLY 26 H GLY 26 -6.690 2.992 7.810 176 HA2 GLY 26 HA1 GLY 26 -7.715 4.721 6.662 177 HA3 GLY 26 HA2 GLY 26 -8.841 4.900 7.999 178 H GLU 27 H GLU 27 -5.526 4.890 8.865 179 HA GLU 27 HA GLU 27 -5.538 7.504 9.881 180 HB2 GLU 27 HB2 GLU 27 -3.977 5.802 10.688 181 HB3 GLU 27 HB3 GLU 27 -3.193 5.752 9.117 182 HG2 GLU 27 HG2 GLU 27 -1.835 7.016 10.629 183 HG3 GLU 27 HG3 GLU 27 -2.508 8.103 9.418 184 H ILE 28 H ILE 28 -3.881 6.228 7.005 185 HA ILE 28 HA ILE 28 -4.020 8.940 5.865 186 HB ILE 28 HB ILE 28 -1.933 8.809 4.990 187 HG12 ILE 28 2HG1 ILE 28 -2.509 6.852 3.536 188 HG13 ILE 28 3HG1 ILE 28 -0.830 6.890 4.066 189 HG21 ILE 28 2HG2 ILE 28 -1.691 6.760 7.179 190 HG22 ILE 28 1HG2 ILE 28 -1.559 8.513 7.342 191 HG23 ILE 28 3HG2 ILE 28 -0.341 7.618 6.435 192 HD11 ILE 28 3HD1 ILE 28 -1.474 5.223 5.835 193 HD12 ILE 28 2HD1 ILE 28 -1.561 4.648 4.167 194 HD13 ILE 28 1HD1 ILE 28 -3.042 5.092 5.025 195 H GLY 29 H GLY 29 -4.633 9.087 3.620 196 HA2 GLY 29 HA1 GLY 29 -4.561 7.449 1.620 197 HA3 GLY 29 HA2 GLY 29 -5.755 6.590 2.571 198 H SER 30 H SER 30 -7.318 6.696 1.141 199 HA SER 30 HA SER 30 -9.074 7.371 -0.040 200 HB2 SER 30 HB2 SER 30 -10.416 9.241 0.779 201 HB3 SER 30 HB3 SER 30 -9.862 8.227 2.105 202 HG SER 30 HG SER 30 -9.702 10.698 2.173 203 H THR 31 H THR 31 -7.219 10.379 0.459 204 HA THR 31 HA THR 31 -7.977 11.191 -2.240 205 HB THR 31 HB THR 31 -8.253 12.800 -0.391 206 HG1 THR 31 HG1 THR 31 -6.406 13.419 -2.459 207 HG21 THR 31 3HG2 THR 31 -5.239 12.696 -0.218 208 HG22 THR 31 1HG2 THR 31 -6.374 12.149 1.013 209 HG23 THR 31 2HG2 THR 31 -6.269 13.864 0.608 210 H TRP 32 H TRP 32 -5.686 9.204 -1.304 211 HA TRP 32 HA TRP 32 -3.355 10.451 -2.427 212 HB2 TRP 32 HB2 TRP 32 -2.282 8.243 -2.187 213 HB3 TRP 32 HB3 TRP 32 -3.035 8.801 -0.698 214 HD1 TRP 32 HD1 TRP 32 -5.100 7.183 -3.463 215 HE1 TRP 32 HE1 TRP 32 -6.015 4.963 -2.617 216 HE3 TRP 32 HE3 TRP 32 -2.553 6.942 0.939 217 HZ2 TRP 32 HZ2 TRP 32 -5.703 3.285 -0.337 218 HZ3 TRP 32 HZ3 TRP 32 -2.919 4.992 2.408 219 HH2 TRP 32 HH2 TRP 32 -4.459 3.207 1.779 220 H GLY 33 H GLY 33 -6.074 9.271 -3.857 221 HA2 GLY 33 HA1 GLY 33 -6.463 9.176 -6.166 222 HA3 GLY 33 HA2 GLY 33 -4.720 9.171 -6.411 223 H ASN 34 H ASN 34 -3.772 7.391 -6.945 224 HA ASN 34 HA ASN 34 -4.692 4.868 -5.868 225 HB2 ASN 34 HB2 ASN 34 -4.665 5.494 -8.789 226 HB3 ASN 34 HB3 ASN 34 -4.115 3.902 -8.277 227 HD21 ASN 34 1HD2 ASN 34 -6.809 5.965 -8.746 228 HD22 ASN 34 2HD2 ASN 34 -8.040 4.817 -8.310 229 H ALA 35 H ALA 35 -2.936 3.194 -7.090 230 HA ALA 35 HA ALA 35 -0.780 3.583 -5.381 231 HB1 ALA 35 HB1 ALA 35 -0.955 1.749 -7.758 232 HB2 ALA 35 HB2 ALA 35 0.179 1.610 -6.414 233 HB3 ALA 35 HB3 ALA 35 -1.551 1.403 -6.134 234 H ASN 36 H ASN 36 -1.033 4.365 -8.824 235 HA ASN 36 HA ASN 36 1.807 4.802 -9.056 236 HB2 ASN 36 HB2 ASN 36 1.296 5.520 -11.380 237 HB3 ASN 36 HB3 ASN 36 0.673 3.922 -10.989 238 HD21 ASN 36 1HD2 ASN 36 -0.776 4.084 -12.720 239 HD22 ASN 36 2HD2 ASN 36 -2.213 5.040 -12.613 240 H ASN 37 H ASN 37 -0.693 6.648 -7.860 241 HA ASN 37 HA ASN 37 0.760 9.148 -8.451 242 HB2 ASN 37 HB2 ASN 37 -1.536 8.966 -9.463 243 HB3 ASN 37 HB3 ASN 37 -2.192 8.858 -7.837 244 HD21 ASN 37 1HD2 ASN 37 -2.491 10.693 -6.674 245 HD22 ASN 37 2HD2 ASN 37 -2.138 12.281 -7.263 246 H TRP 38 H TRP 38 0.643 6.965 -6.239 247 HA TRP 38 HA TRP 38 -0.481 7.919 -3.910 248 HB2 TRP 38 HB2 TRP 38 1.355 5.839 -4.653 249 HB3 TRP 38 HB3 TRP 38 1.868 6.594 -3.139 250 HD1 TRP 38 HD1 TRP 38 -1.719 5.744 -4.367 251 HE1 TRP 38 HE1 TRP 38 -2.831 4.361 -2.544 252 HE3 TRP 38 HE3 TRP 38 2.229 5.355 -1.151 253 HZ2 TRP 38 HZ2 TRP 38 -2.121 3.262 0.022 254 HZ3 TRP 38 HZ3 TRP 38 1.943 4.131 0.946 255 HH2 TRP 38 HH2 TRP 38 -0.184 3.100 1.511 256 H ALA 39 H ALA 39 3.015 8.075 -4.635 257 HA ALA 39 HA ALA 39 3.727 9.542 -2.405 258 HB1 ALA 39 HB1 ALA 39 5.044 9.630 -5.116 259 HB2 ALA 39 HB2 ALA 39 5.776 10.117 -3.587 260 HB3 ALA 39 HB3 ALA 39 5.342 8.430 -3.857 261 H ALA 40 H ALA 40 2.559 10.703 -5.513 262 HA ALA 40 HA ALA 40 3.121 13.448 -5.038 263 HB1 ALA 40 HB1 ALA 40 1.737 13.861 -6.999 264 HB2 ALA 40 HB2 ALA 40 2.863 12.533 -7.283 265 HB3 ALA 40 HB3 ALA 40 1.165 12.194 -6.953 266 H ALA 41 H ALA 41 0.138 11.512 -4.788 267 HA ALA 41 HA ALA 41 -1.434 13.731 -3.898 268 HB1 ALA 41 HB1 ALA 41 -2.414 11.812 -5.087 269 HB2 ALA 41 HB2 ALA 41 -2.051 10.781 -3.702 270 HB3 ALA 41 HB3 ALA 41 -3.198 12.113 -3.538 271 H ALA 42 H ALA 42 0.281 11.099 -2.342 272 HA ALA 42 HA ALA 42 -0.597 11.386 0.293 273 HB1 ALA 42 HB1 ALA 42 1.678 10.474 0.874 274 HB2 ALA 42 HB2 ALA 42 0.777 9.527 -0.312 275 HB3 ALA 42 HB3 ALA 42 2.086 10.587 -0.836 276 H GLN 43 H GLN 43 2.186 12.924 -1.346 277 HA GLN 43 HA GLN 43 2.929 14.581 0.812 278 HB2 GLN 43 HB2 GLN 43 3.417 14.857 -2.156 279 HB3 GLN 43 HB3 GLN 43 4.147 15.906 -0.947 280 HG2 GLN 43 HG2 GLN 43 5.259 13.993 0.058 281 HG3 GLN 43 HG3 GLN 43 4.498 12.921 -1.118 282 HE21 GLN 43 1HE2 GLN 43 7.324 13.469 -0.551 283 HE22 GLN 43 2HE2 GLN 43 8.013 13.943 -2.071 284 H GLY 44 H GLY 44 0.713 15.031 -1.885 285 HA2 GLY 44 HA1 GLY 44 0.149 17.764 -1.482 286 HA3 GLY 44 HA2 GLY 44 -0.917 16.604 -2.264 287 H ALA 45 H ALA 45 -1.325 14.843 -0.136 288 HA ALA 45 HA ALA 45 -3.313 16.197 1.379 289 HB1 ALA 45 HB1 ALA 45 -3.490 13.822 0.773 290 HB2 ALA 45 HB2 ALA 45 -2.129 13.459 1.834 291 HB3 ALA 45 HB3 ALA 45 -3.636 14.072 2.513 292 H GLY 46 H GLY 46 0.001 15.219 2.003 293 HA2 GLY 46 HA1 GLY 46 1.145 16.882 3.484 294 HA3 GLY 46 HA2 GLY 46 -0.180 16.606 4.603 295 H PHE 47 H PHE 47 1.042 13.872 2.851 296 HA PHE 47 HA PHE 47 2.062 12.769 5.345 297 HB2 PHE 47 HB2 PHE 47 2.063 11.435 2.628 298 HB3 PHE 47 HB3 PHE 47 2.267 10.662 4.190 299 HD1 PHE 47 HD2 PHE 47 -0.158 12.530 5.290 300 HD2 PHE 47 HD1 PHE 47 0.397 9.728 2.137 301 HE1 PHE 47 HE2 PHE 47 -2.576 12.041 5.287 302 HE2 PHE 47 HE1 PHE 47 -2.002 9.213 2.130 303 HZ PHE 47 HZ PHE 47 -3.496 10.392 3.702 304 H THR 48 H THR 48 4.174 11.886 5.527 305 HA THR 48 HA THR 48 6.189 13.200 3.849 306 HB THR 48 HB THR 48 6.724 11.519 6.299 307 HG1 THR 48 HG1 THR 48 5.444 13.078 7.173 308 HG21 THR 48 3HG2 THR 48 8.737 12.905 6.438 309 HG22 THR 48 1HG2 THR 48 8.224 13.807 5.011 310 HG23 THR 48 2HG2 THR 48 8.631 12.098 4.873 311 H VAL 49 H VAL 49 6.715 12.012 2.085 312 HA VAL 49 HA VAL 49 6.600 9.102 2.371 313 HB VAL 49 HB VAL 49 6.009 8.860 0.215 314 HG11 VAL 49 2HG1 VAL 49 4.360 10.367 1.156 315 HG12 VAL 49 1HG1 VAL 49 4.542 10.623 -0.578 316 HG13 VAL 49 3HG1 VAL 49 5.271 11.755 0.561 317 HG21 VAL 49 3HG2 VAL 49 7.653 11.274 -0.517 318 HG22 VAL 49 2HG2 VAL 49 6.692 10.334 -1.662 319 HG23 VAL 49 1HG2 VAL 49 8.039 9.577 -0.813 320 H ASN 50 H ASN 50 8.346 7.959 2.482 321 HA ASN 50 HA ASN 50 10.836 8.992 1.325 322 HB2 ASN 50 HB2 ASN 50 10.662 7.082 3.677 323 HB3 ASN 50 HB3 ASN 50 12.098 7.886 3.062 324 HD21 ASN 50 1HD2 ASN 50 10.998 7.824 5.737 325 HD22 ASN 50 2HD2 ASN 50 10.729 9.475 6.190 326 H HIS 51 H HIS 51 11.964 6.287 1.931 327 HA HIS 51 HA HIS 51 10.122 4.504 0.633 328 HB2 HIS 51 HB2 HIS 51 11.828 3.780 -1.096 329 HB3 HIS 51 HB3 HIS 51 11.083 5.348 -1.357 330 HD1 HIS 51 HD1 HIS 51 14.343 3.816 -0.233 331 HD2 HIS 51 HD2 HIS 51 12.836 7.443 -1.583 332 HE1 HIS 51 HE1 HIS 51 16.355 5.257 -0.688 333 HE2 HIS 51 HE2 HIS 51 15.417 7.350 -1.724 334 H THR 52 H THR 52 10.295 3.770 2.800 335 HA THR 52 HA THR 52 12.264 1.653 3.046 336 HB THR 52 HB THR 52 11.818 3.571 5.348 337 HG1 THR 52 HG1 THR 52 13.339 4.796 4.556 338 HG21 THR 52 3HG2 THR 52 12.483 1.308 5.989 339 HG22 THR 52 1HG2 THR 52 13.792 2.449 6.296 340 HG23 THR 52 2HG2 THR 52 13.860 1.387 4.890 341 HA PRO 53 HA PRO 53 7.937 0.318 4.035 342 HB2 PRO 53 HB2 PRO 53 8.642 -2.357 3.769 343 HB3 PRO 53 HB3 PRO 53 7.982 -1.343 2.481 344 HG2 PRO 53 HG2 PRO 53 10.833 -2.034 3.074 345 HG3 PRO 53 HG3 PRO 53 10.007 -1.939 1.507 346 HD2 PRO 53 HD2 PRO 53 11.600 0.031 2.306 347 HD3 PRO 53 HD3 PRO 53 10.062 0.385 1.481 348 H SER 54 H SER 54 7.103 -0.542 5.916 349 HA SER 54 HA SER 54 8.791 -1.773 7.881 350 HB2 SER 54 HB2 SER 54 9.436 0.598 8.145 351 HB3 SER 54 HB3 SER 54 7.743 1.033 8.372 352 HG SER 54 HG SER 54 9.536 0.062 10.168 353 H LYS 55 H LYS 55 7.541 -2.200 9.892 354 HA LYS 55 HA LYS 55 5.131 -3.468 9.218 355 HB2 LYS 55 HB2 LYS 55 6.693 -4.132 11.051 356 HB3 LYS 55 HB3 LYS 55 6.133 -2.750 11.978 357 HG2 LYS 55 HG2 LYS 55 3.939 -3.663 12.156 358 HG3 LYS 55 HG3 LYS 55 4.335 -4.958 11.023 359 HD2 LYS 55 HD2 LYS 55 6.084 -5.721 12.653 360 HD3 LYS 55 HD3 LYS 55 5.434 -4.543 13.798 361 HE2 LYS 55 HE2 LYS 55 3.273 -5.644 13.742 362 HE3 LYS 55 HE3 LYS 55 3.860 -6.780 12.525 363 HZ1 LYS 55 HZ1 LYS 55 5.517 -7.546 14.167 364 HZ2 LYS 55 HZ2 LYS 55 3.921 -7.822 14.657 365 HZ3 LYS 55 HZ3 LYS 55 4.800 -6.541 15.333 366 H GLY 56 H GLY 56 3.274 -2.491 8.749 367 HA2 GLY 56 HA1 GLY 56 1.307 -1.399 9.577 368 HA3 GLY 56 HA2 GLY 56 2.337 -0.364 10.556 369 H ALA 57 H ALA 57 3.993 -0.394 7.827 370 HA ALA 57 HA ALA 57 2.645 2.009 6.821 371 HB1 ALA 57 HB1 ALA 57 5.409 1.007 6.154 372 HB2 ALA 57 HB2 ALA 57 4.714 2.580 5.754 373 HB3 ALA 57 HB3 ALA 57 5.046 2.163 7.437 374 H ILE 58 H ILE 58 3.678 2.043 4.222 375 HA ILE 58 HA ILE 58 2.496 -0.348 3.003 376 HB ILE 58 HB ILE 58 1.858 2.429 2.020 377 HG12 ILE 58 2HG1 ILE 58 -0.522 1.655 2.898 378 HG13 ILE 58 3HG1 ILE 58 0.452 0.734 4.037 379 HG21 ILE 58 2HG2 ILE 58 1.727 0.728 0.326 380 HG22 ILE 58 1HG2 ILE 58 0.100 1.248 0.761 381 HG23 ILE 58 3HG2 ILE 58 0.726 -0.285 1.369 382 HD11 ILE 58 3HD1 ILE 58 1.524 2.786 4.789 383 HD12 ILE 58 2HD1 ILE 58 -0.228 2.872 4.968 384 HD13 ILE 58 1HD1 ILE 58 0.566 3.715 3.635 385 H LEU 59 H LEU 59 3.303 -0.919 1.042 386 HA LEU 59 HA LEU 59 5.812 0.298 0.192 387 HB2 LEU 59 HB2 LEU 59 5.321 -2.204 0.482 388 HB3 LEU 59 HB3 LEU 59 4.361 -2.076 -0.975 389 HG LEU 59 HG LEU 59 6.567 -1.117 -1.984 390 HD11 LEU 59 2HD1 LEU 59 7.565 -2.709 0.370 391 HD12 LEU 59 1HD1 LEU 59 7.811 -0.986 0.079 392 HD13 LEU 59 3HD1 LEU 59 8.554 -2.176 -0.990 393 HD21 LEU 59 3HD2 LEU 59 5.437 -3.151 -2.705 394 HD22 LEU 59 2HD2 LEU 59 6.169 -4.041 -1.371 395 HD23 LEU 59 1HD2 LEU 59 7.183 -3.383 -2.657 396 H GLN 60 H GLN 60 6.080 1.207 -1.951 397 HA GLN 60 HA GLN 60 3.754 1.345 -3.675 398 HB2 GLN 60 HB2 GLN 60 3.369 3.089 -1.956 399 HB3 GLN 60 HB3 GLN 60 4.867 3.867 -2.437 400 HG2 GLN 60 HG2 GLN 60 2.824 3.372 -4.524 401 HG3 GLN 60 HG3 GLN 60 2.499 4.626 -3.334 402 HE21 GLN 60 1HE2 GLN 60 2.893 4.898 -6.165 403 HE22 GLN 60 2HE2 GLN 60 4.246 5.963 -6.377 404 H SER 61 H SER 61 4.177 1.821 -5.739 405 HA SER 61 HA SER 61 6.591 3.211 -6.504 406 HB2 SER 61 HB2 SER 61 7.208 0.751 -6.432 407 HB3 SER 61 HB3 SER 61 6.015 0.494 -7.706 408 HG SER 61 HG SER 61 8.262 2.234 -7.867 409 H SER 62 H SER 62 6.492 3.839 -8.800 410 HA SER 62 HA SER 62 3.738 4.413 -9.509 411 HB2 SER 62 HB2 SER 62 4.990 5.839 -11.301 412 HB3 SER 62 HB3 SER 62 5.025 6.349 -9.611 413 HG SER 62 HG SER 62 7.054 5.245 -11.201 414 H GLU 63 H GLU 63 5.998 2.069 -10.271 415 HA GLU 63 HA GLU 63 5.376 1.784 -13.056 416 HB2 GLU 63 HB2 GLU 63 6.600 -0.378 -12.863 417 HB3 GLU 63 HB3 GLU 63 7.526 1.010 -12.313 418 HG2 GLU 63 HG2 GLU 63 7.190 0.429 -10.033 419 HG3 GLU 63 HG3 GLU 63 6.018 -0.814 -10.463 420 H GLY 64 H GLY 64 3.815 0.622 -13.991 421 HA2 GLY 64 HA1 GLY 64 2.506 -1.526 -13.792 422 HA3 GLY 64 HA2 GLY 64 2.033 -0.918 -12.211 423 HA PRO 65 HA PRO 65 -0.860 0.498 -15.742 424 HB2 PRO 65 HB2 PRO 65 -3.059 -0.925 -14.954 425 HB3 PRO 65 HB3 PRO 65 -1.897 -1.500 -16.152 426 HG2 PRO 65 HG2 PRO 65 -2.120 -2.177 -13.249 427 HG3 PRO 65 HG3 PRO 65 -1.766 -3.240 -14.624 428 HD2 PRO 65 HD2 PRO 65 0.163 -2.329 -12.962 429 HD3 PRO 65 HD3 PRO 65 0.458 -2.623 -14.687 430 H PHE 66 H PHE 66 -1.497 -0.216 -12.336 431 HA PHE 66 HA PHE 66 -2.760 2.435 -12.103 432 HB2 PHE 66 HB2 PHE 66 -3.397 -0.126 -10.631 433 HB3 PHE 66 HB3 PHE 66 -3.962 1.453 -10.096 434 HD1 PHE 66 HD1 PHE 66 -4.191 -1.059 -12.792 435 HD2 PHE 66 HD2 PHE 66 -5.789 2.529 -11.148 436 HE1 PHE 66 HE1 PHE 66 -6.144 -1.246 -14.283 437 HE2 PHE 66 HE2 PHE 66 -7.739 2.346 -12.630 438 HZ PHE 66 HZ PHE 66 -7.921 0.458 -14.201 439 H GLY 67 H GLY 67 0.027 1.059 -11.676 440 HA2 GLY 67 HA1 GLY 67 1.807 1.910 -10.365 441 HA3 GLY 67 HA2 GLY 67 0.633 2.469 -9.179 442 H HIS 68 H HIS 68 2.223 1.386 -7.669 443 HA HIS 68 HA HIS 68 1.288 -1.354 -7.226 444 HB2 HIS 68 HB2 HIS 68 3.554 -1.326 -8.474 445 HB3 HIS 68 HB3 HIS 68 4.234 -0.716 -6.960 446 HD1 HIS 68 HD1 HIS 68 4.559 -3.629 -8.510 447 HD2 HIS 68 HD2 HIS 68 2.645 -2.779 -4.913 448 HE1 HIS 68 HE1 HIS 68 4.499 -5.798 -7.237 449 HE2 HIS 68 HE2 HIS 68 3.095 -5.314 -5.194 450 H VAL 69 H VAL 69 0.117 -0.512 -5.349 451 HA VAL 69 HA VAL 69 1.997 0.031 -3.157 452 HB VAL 69 HB VAL 69 0.105 0.919 -1.884 453 HG11 VAL 69 2HG1 VAL 69 -0.221 2.962 -3.188 454 HG12 VAL 69 1HG1 VAL 69 0.428 2.146 -4.611 455 HG13 VAL 69 3HG1 VAL 69 1.459 2.425 -3.208 456 HG21 VAL 69 3HG2 VAL 69 -2.051 1.314 -2.961 457 HG22 VAL 69 2HG2 VAL 69 -1.680 -0.409 -2.899 458 HG23 VAL 69 1HG2 VAL 69 -1.486 0.480 -4.409 459 H ALA 70 H ALA 70 2.028 -1.233 -1.407 460 HA ALA 70 HA ALA 70 0.048 -3.345 -1.084 461 HB1 ALA 70 HB1 ALA 70 1.786 -4.354 -2.496 462 HB2 ALA 70 HB2 ALA 70 3.005 -3.929 -1.295 463 HB3 ALA 70 HB3 ALA 70 1.741 -5.091 -0.895 464 H TYR 71 H TYR 71 -0.447 -3.516 1.021 465 HA TYR 71 HA TYR 71 0.806 -1.718 2.838 466 HB2 TYR 71 HB2 TYR 71 -1.483 -1.956 3.204 467 HB3 TYR 71 HB3 TYR 71 -1.426 -3.712 3.034 468 HD1 TYR 71 HD2 TYR 71 -0.723 -0.900 5.319 469 HD2 TYR 71 HD1 TYR 71 -0.952 -5.128 4.877 470 HE1 TYR 71 HE2 TYR 71 -0.590 -1.154 7.762 471 HE2 TYR 71 HE1 TYR 71 -0.822 -5.392 7.322 472 HH TYR 71 HH TYR 71 0.018 -4.126 9.267 473 H VAL 72 H VAL 72 2.311 -2.062 4.331 474 HA VAL 72 HA VAL 72 3.748 -4.586 4.183 475 HB VAL 72 HB VAL 72 4.497 -2.103 5.726 476 HG11 VAL 72 2HG1 VAL 72 6.781 -3.006 5.503 477 HG12 VAL 72 1HG1 VAL 72 6.107 -4.452 4.751 478 HG13 VAL 72 3HG1 VAL 72 5.704 -4.058 6.424 479 HG21 VAL 72 3HG2 VAL 72 5.254 -2.833 2.896 480 HG22 VAL 72 2HG2 VAL 72 5.882 -1.463 3.815 481 HG23 VAL 72 1HG2 VAL 72 4.173 -1.522 3.376 482 H GLU 73 H GLU 73 3.227 -6.149 5.562 483 HA GLU 73 HA GLU 73 1.838 -5.542 8.019 484 HB2 GLU 73 HB2 GLU 73 2.759 -8.183 6.868 485 HB3 GLU 73 HB3 GLU 73 1.795 -8.010 8.330 486 HG2 GLU 73 HG2 GLU 73 0.058 -6.873 6.947 487 HG3 GLU 73 HG3 GLU 73 1.006 -7.287 5.521 488 H SER 74 H SER 74 5.056 -6.188 6.977 489 HA SER 74 HA SER 74 6.251 -5.416 9.366 490 HB2 SER 74 HB2 SER 74 7.192 -7.651 10.095 491 HB3 SER 74 HB3 SER 74 5.469 -7.438 10.403 492 HG SER 74 HG SER 74 6.536 -9.429 9.170 493 H VAL 75 H VAL 75 8.446 -5.162 9.120 494 HA VAL 75 HA VAL 75 9.622 -6.264 6.659 495 HB VAL 75 HB VAL 75 9.812 -3.833 6.751 496 HG11 VAL 75 2HG1 VAL 75 11.294 -4.232 9.347 497 HG12 VAL 75 1HG1 VAL 75 9.697 -3.506 9.162 498 HG13 VAL 75 3HG1 VAL 75 11.115 -2.703 8.488 499 HG21 VAL 75 3HG2 VAL 75 12.444 -5.225 7.243 500 HG22 VAL 75 2HG2 VAL 75 12.262 -3.624 6.525 501 HG23 VAL 75 1HG2 VAL 75 11.626 -5.042 5.691 502 H ASN 76 H ASN 76 11.197 -7.738 6.813 503 HA ASN 76 HA ASN 76 11.595 -8.881 9.426 504 HB2 ASN 76 HB2 ASN 76 12.568 -9.795 6.711 505 HB3 ASN 76 HB3 ASN 76 12.740 -10.710 8.206 506 HD21 ASN 76 1HD2 ASN 76 10.519 -9.558 5.788 507 HD22 ASN 76 2HD2 ASN 76 9.192 -10.585 6.226 508 H SER 77 H SER 77 13.615 -9.228 10.417 509 HA SER 77 HA SER 77 15.442 -7.099 10.198 510 HB2 SER 77 HB2 SER 77 16.838 -8.596 11.742 511 HB3 SER 77 HB3 SER 77 15.238 -8.120 12.311 512 HG SER 77 HG SER 77 15.785 -10.412 12.525 513 H ASP 78 H ASP 78 15.126 -9.872 8.329 514 HA ASP 78 HA ASP 78 17.879 -10.270 7.637 515 HB2 ASP 78 HB2 ASP 78 15.339 -11.138 6.245 516 HB3 ASP 78 HB3 ASP 78 16.956 -11.660 5.793 517 H GLY 79 H GLY 79 15.544 -7.950 6.797 518 HA2 GLY 79 HA1 GLY 79 16.042 -6.094 5.385 519 HA3 GLY 79 HA2 GLY 79 17.168 -7.109 4.495 520 H SER 80 H SER 80 14.450 -8.868 5.093 521 HA SER 80 HA SER 80 13.351 -8.266 2.444 522 HB2 SER 80 HB2 SER 80 12.862 -10.698 4.173 523 HB3 SER 80 HB3 SER 80 12.375 -10.477 2.492 524 HG SER 80 HG SER 80 15.038 -10.063 2.837 525 H VAL 81 H VAL 81 11.203 -7.777 2.193 526 HA VAL 81 HA VAL 81 9.874 -6.934 4.678 527 HB VAL 81 HB VAL 81 9.514 -5.844 1.882 528 HG11 VAL 81 2HG1 VAL 81 8.265 -4.055 2.963 529 HG12 VAL 81 1HG1 VAL 81 8.477 -4.837 4.529 530 HG13 VAL 81 3HG1 VAL 81 7.515 -5.620 3.275 531 HG21 VAL 81 3HG2 VAL 81 10.714 -3.869 2.747 532 HG22 VAL 81 2HG2 VAL 81 11.719 -5.319 2.738 533 HG23 VAL 81 1HG2 VAL 81 11.023 -4.741 4.251 534 H THR 82 H THR 82 7.951 -7.718 5.199 535 HA THR 82 HA THR 82 6.654 -9.576 3.349 536 HB THR 82 HB THR 82 6.327 -9.159 6.336 537 HG1 THR 82 HG1 THR 82 7.412 -11.356 4.869 538 HG21 THR 82 3HG2 THR 82 5.042 -11.225 4.533 539 HG22 THR 82 1HG2 THR 82 4.209 -9.891 5.331 540 HG23 THR 82 2HG2 THR 82 4.930 -11.181 6.293 541 H ILE 83 H ILE 83 5.262 -8.534 2.055 542 HA ILE 83 HA ILE 83 3.553 -6.443 3.234 543 HB ILE 83 HB ILE 83 3.240 -5.587 0.945 544 HG12 ILE 83 2HG1 ILE 83 5.343 -7.622 0.178 545 HG13 ILE 83 3HG1 ILE 83 3.636 -7.732 -0.232 546 HG21 ILE 83 2HG2 ILE 83 6.125 -5.826 1.784 547 HG22 ILE 83 1HG2 ILE 83 4.970 -4.621 2.350 548 HG23 ILE 83 3HG2 ILE 83 5.477 -4.631 0.661 549 HD11 ILE 83 3HD1 ILE 83 4.907 -6.939 -2.117 550 HD12 ILE 83 2HD1 ILE 83 5.564 -5.617 -1.153 551 HD13 ILE 83 1HD1 ILE 83 3.842 -5.661 -1.532 552 H SER 84 H SER 84 1.419 -6.204 2.100 553 HA SER 84 HA SER 84 0.353 -8.695 1.019 554 HB2 SER 84 HB2 SER 84 -1.693 -8.388 2.483 555 HB3 SER 84 HB3 SER 84 -0.232 -8.897 3.330 556 HG SER 84 HG SER 84 -0.025 -6.394 3.499 557 H GLU 85 H GLU 85 -0.653 -8.276 -0.782 558 HA GLU 85 HA GLU 85 -1.986 -5.685 -1.167 559 HB2 GLU 85 HB2 GLU 85 -1.248 -5.990 -3.639 560 HB3 GLU 85 HB3 GLU 85 -0.076 -5.386 -2.475 561 HG2 GLU 85 HG2 GLU 85 0.954 -7.546 -2.306 562 HG3 GLU 85 HG3 GLU 85 -0.303 -8.267 -3.307 563 H MET 86 H MET 86 -4.102 -6.106 -1.320 564 HA MET 86 HA MET 86 -4.979 -8.702 -2.307 565 HB2 MET 86 HB2 MET 86 -5.960 -7.842 -0.216 566 HB3 MET 86 HB3 MET 86 -6.579 -6.448 -1.088 567 HG2 MET 86 HG2 MET 86 -7.931 -7.940 -2.489 568 HG3 MET 86 HG3 MET 86 -7.354 -9.318 -1.556 569 HE1 MET 86 HE1 MET 86 -8.975 -8.758 1.928 570 HE2 MET 86 HE2 MET 86 -8.049 -9.848 0.899 571 HE3 MET 86 HE3 MET 86 -7.344 -8.319 1.417 572 H ASN 87 H ASN 87 -5.616 -9.010 -4.304 573 HA ASN 87 HA ASN 87 -6.703 -8.782 -6.280 574 HB2 ASN 87 HB2 ASN 87 -8.531 -7.633 -5.221 575 HB3 ASN 87 HB3 ASN 87 -7.618 -6.129 -5.165 576 HD21 ASN 87 1HD2 ASN 87 -7.398 -4.901 -7.037 577 HD22 ASN 87 2HD2 ASN 87 -8.357 -5.189 -8.444 578 H TYR 88 H TYR 88 -5.050 -5.847 -5.251 579 HA TYR 88 HA TYR 88 -3.508 -4.522 -6.237 580 HB2 TYR 88 HB2 TYR 88 -2.420 -6.746 -6.774 581 HB3 TYR 88 HB3 TYR 88 -3.203 -6.672 -8.346 582 HD1 TYR 88 HD1 TYR 88 -2.524 -4.902 -9.974 583 HD2 TYR 88 HD2 TYR 88 -0.475 -5.486 -6.296 584 HE1 TYR 88 HE1 TYR 88 -0.613 -3.625 -10.841 585 HE2 TYR 88 HE2 TYR 88 1.439 -4.205 -7.152 586 HH TYR 88 HH TYR 88 1.295 -2.232 -9.781 587 H SER 89 H SER 89 -4.428 -5.986 -9.262 588 HA SER 89 HA SER 89 -6.400 -4.012 -9.947 589 HB2 SER 89 HB2 SER 89 -3.742 -4.002 -11.415 590 HB3 SER 89 HB3 SER 89 -5.164 -3.059 -11.857 591 HG SER 89 HG SER 89 -4.576 -2.593 -9.287 592 H GLY 90 H GLY 90 -6.123 -6.904 -9.737 593 HA2 GLY 90 HA1 GLY 90 -6.731 -7.656 -12.500 594 HA3 GLY 90 HA2 GLY 90 -5.359 -8.449 -11.747 595 H GLY 91 H GLY 91 -5.758 -9.741 -9.832 596 HA2 GLY 91 HA1 GLY 91 -8.172 -11.287 -10.237 597 HA3 GLY 91 HA2 GLY 91 -6.814 -11.721 -9.210 598 HA PRO 92 HA PRO 92 -10.308 -8.994 -7.020 599 HB2 PRO 92 HB2 PRO 92 -12.274 -11.172 -7.469 600 HB3 PRO 92 HB3 PRO 92 -12.510 -9.418 -7.479 601 HG2 PRO 92 HG2 PRO 92 -12.497 -10.797 -9.754 602 HG3 PRO 92 HG3 PRO 92 -11.735 -9.196 -9.655 603 HD2 PRO 92 HD2 PRO 92 -10.463 -11.907 -9.634 604 HD3 PRO 92 HD3 PRO 92 -9.933 -10.419 -10.450 605 H PHE 93 H PHE 93 -9.748 -9.236 -5.014 606 HA PHE 93 HA PHE 93 -9.515 -10.026 -2.919 607 HB2 PHE 93 HB2 PHE 93 -11.036 -12.427 -3.926 608 HB3 PHE 93 HB3 PHE 93 -10.551 -12.171 -2.250 609 HD1 PHE 93 HD2 PHE 93 -11.478 -10.201 -1.012 610 HD2 PHE 93 HD1 PHE 93 -12.979 -11.432 -4.799 611 HE1 PHE 93 HE2 PHE 93 -13.540 -8.924 -0.607 612 HE2 PHE 93 HE1 PHE 93 -15.043 -10.157 -4.398 613 HZ PHE 93 HZ PHE 93 -15.326 -8.901 -2.299 614 H SER 94 H SER 94 -7.888 -11.144 -5.488 615 HA SER 94 HA SER 94 -6.464 -13.310 -4.360 616 HB2 SER 94 HB2 SER 94 -5.531 -11.229 -6.357 617 HB3 SER 94 HB3 SER 94 -4.652 -12.712 -5.959 618 HG SER 94 HG SER 94 -6.900 -13.665 -6.569 619 H VAL 95 H VAL 95 -6.053 -12.838 -2.207 620 HA VAL 95 HA VAL 95 -4.667 -10.522 -1.375 621 HB VAL 95 HB VAL 95 -4.657 -13.210 0.005 622 HG11 VAL 95 2HG1 VAL 95 -4.272 -11.886 2.042 623 HG12 VAL 95 1HG1 VAL 95 -4.178 -10.424 1.058 624 HG13 VAL 95 3HG1 VAL 95 -2.972 -11.695 0.867 625 HG21 VAL 95 3HG2 VAL 95 -6.599 -10.921 0.298 626 HG22 VAL 95 2HG2 VAL 95 -6.560 -12.369 1.304 627 HG23 VAL 95 1HG2 VAL 95 -6.944 -12.499 -0.412 628 H SER 96 H SER 96 -2.958 -10.233 -2.777 629 HA SER 96 HA SER 96 -1.209 -12.371 -3.485 630 HB2 SER 96 HB2 SER 96 -1.765 -10.529 -5.046 631 HB3 SER 96 HB3 SER 96 -0.930 -9.395 -3.988 632 HG SER 96 HG SER 96 0.758 -9.898 -5.117 633 H SER 97 H SER 97 0.351 -13.094 -2.332 634 HA SER 97 HA SER 97 1.534 -11.478 -0.211 635 HB2 SER 97 HB2 SER 97 2.112 -14.357 -0.956 636 HB3 SER 97 HB3 SER 97 2.581 -13.539 0.531 637 HG SER 97 HG SER 97 0.253 -13.252 0.896 638 H ARG 98 H ARG 98 3.639 -10.758 -0.260 639 HA ARG 98 HA ARG 98 5.369 -11.573 -2.434 640 HB2 ARG 98 HB2 ARG 98 3.793 -9.634 -3.166 641 HB3 ARG 98 HB3 ARG 98 4.814 -8.637 -2.143 642 HG2 ARG 98 HG2 ARG 98 6.771 -9.337 -3.461 643 HG3 ARG 98 HG3 ARG 98 5.698 -10.267 -4.507 644 HD2 ARG 98 HD2 ARG 98 5.633 -7.279 -4.088 645 HD3 ARG 98 HD3 ARG 98 6.238 -8.117 -5.514 646 HE ARG 98 HE ARG 98 3.440 -7.769 -4.732 647 HH11 ARG 98 2HH1 ARG 98 5.769 -9.141 -6.966 648 HH12 ARG 98 1HH1 ARG 98 4.600 -9.426 -8.217 649 HH21 ARG 98 2HH2 ARG 98 1.902 -8.116 -6.383 650 HH22 ARG 98 1HH2 ARG 98 2.408 -8.851 -7.889 651 H THR 99 H THR 99 7.523 -11.217 -2.008 652 HA THR 99 HA THR 99 8.122 -10.085 0.647 653 HB THR 99 HB THR 99 9.682 -12.225 -0.821 654 HG1 THR 99 HG1 THR 99 7.471 -12.772 0.021 655 HG21 THR 99 3HG2 THR 99 9.849 -11.233 2.031 656 HG22 THR 99 1HG2 THR 99 11.020 -10.903 0.753 657 HG23 THR 99 2HG2 THR 99 10.796 -12.551 1.338 658 H ILE 100 H ILE 100 9.218 -8.249 0.561 659 HA ILE 100 HA ILE 100 10.481 -7.478 -1.968 660 HB ILE 100 HB ILE 100 9.849 -5.788 0.458 661 HG12 ILE 100 2HG1 ILE 100 7.796 -6.565 -0.564 662 HG13 ILE 100 3HG1 ILE 100 8.031 -4.858 -0.949 663 HG21 ILE 100 2HG2 ILE 100 10.743 -5.009 -2.312 664 HG22 ILE 100 1HG2 ILE 100 11.677 -4.860 -0.823 665 HG23 ILE 100 3HG2 ILE 100 10.225 -3.886 -1.054 666 HD11 ILE 100 3HD1 ILE 100 8.796 -5.443 -3.171 667 HD12 ILE 100 2HD1 ILE 100 7.212 -6.157 -2.863 668 HD13 ILE 100 1HD1 ILE 100 8.661 -7.160 -2.791 669 H SER 101 H SER 101 12.594 -7.906 -2.125 670 HA SER 101 HA SER 101 14.377 -8.078 0.079 671 HB2 SER 101 HB2 SER 101 15.064 -7.546 -2.823 672 HB3 SER 101 HB3 SER 101 16.129 -8.220 -1.589 673 HG SER 101 HG SER 101 15.224 -9.828 -2.948 674 H ALA 102 H ALA 102 16.058 -6.587 0.669 675 HA ALA 102 HA ALA 102 15.353 -3.966 1.044 676 HB1 ALA 102 HB1 ALA 102 17.664 -3.541 1.633 677 HB2 ALA 102 HB2 ALA 102 17.155 -5.113 2.247 678 HB3 ALA 102 HB3 ALA 102 18.167 -5.015 0.806 679 H SER 103 H SER 103 17.286 -5.274 -1.649 680 HA SER 103 HA SER 103 17.911 -2.819 -2.859 681 HB2 SER 103 HB2 SER 103 19.005 -4.917 -3.499 682 HB3 SER 103 HB3 SER 103 17.486 -5.527 -4.154 683 HG SER 103 HG SER 103 19.236 -4.340 -5.542 684 H GLU 104 H GLU 104 15.100 -4.924 -3.191 685 HA GLU 104 HA GLU 104 13.803 -3.379 -5.226 686 HB2 GLU 104 HB2 GLU 104 13.458 -5.881 -4.190 687 HB3 GLU 104 HB3 GLU 104 12.155 -5.014 -3.392 688 HG2 GLU 104 HG2 GLU 104 11.359 -6.041 -5.419 689 HG3 GLU 104 HG3 GLU 104 11.317 -4.285 -5.570 690 H ALA 105 H ALA 105 13.766 -3.485 -1.711 691 HA ALA 105 HA ALA 105 11.588 -1.766 -1.249 692 HB1 ALA 105 HB1 ALA 105 12.514 -1.492 0.992 693 HB2 ALA 105 HB2 ALA 105 12.574 -3.180 0.486 694 HB3 ALA 105 HB3 ALA 105 14.040 -2.199 0.457 695 H GLY 106 H GLY 106 14.927 -1.151 -2.064 696 HA2 GLY 106 HA1 GLY 106 14.989 1.619 -1.510 697 HA3 GLY 106 HA2 GLY 106 16.007 0.785 -2.675 698 H ASN 107 H ASN 107 13.501 -0.187 -4.053 699 HA ASN 107 HA ASN 107 13.184 2.076 -5.834 700 HB2 ASN 107 HB2 ASN 107 13.333 -0.167 -6.798 701 HB3 ASN 107 HB3 ASN 107 11.938 -0.688 -5.858 702 HD21 ASN 107 1HD2 ASN 107 10.478 -1.137 -7.414 703 HD22 ASN 107 2HD2 ASN 107 9.953 -0.007 -8.609 704 H TYR 108 H TYR 108 11.320 0.319 -3.453 705 HA TYR 108 HA TYR 108 8.854 1.614 -4.181 706 HB2 TYR 108 HB2 TYR 108 9.551 -0.343 -2.006 707 HB3 TYR 108 HB3 TYR 108 7.937 0.306 -2.257 708 HD1 TYR 108 HD1 TYR 108 7.028 0.012 -4.743 709 HD2 TYR 108 HD2 TYR 108 10.066 -2.373 -2.958 710 HE1 TYR 108 HE1 TYR 108 6.524 -1.803 -6.325 711 HE2 TYR 108 HE2 TYR 108 9.574 -4.189 -4.535 712 HH TYR 108 HH TYR 108 7.720 -3.781 -7.304 713 H ASN 109 H ASN 109 8.058 3.364 -3.351 714 HA ASN 109 HA ASN 109 9.328 4.756 -1.146 715 HB2 ASN 109 HB2 ASN 109 6.894 5.413 -2.828 716 HB3 ASN 109 HB3 ASN 109 7.562 6.468 -1.588 717 HD21 ASN 109 1HD2 ASN 109 7.206 6.857 -4.470 718 HD22 ASN 109 2HD2 ASN 109 8.775 7.268 -5.077 719 H TYR 110 H TYR 110 7.907 5.587 0.646 720 HA TYR 110 HA TYR 110 5.459 4.112 1.059 721 HB2 TYR 110 HB2 TYR 110 5.977 3.033 3.010 722 HB3 TYR 110 HB3 TYR 110 7.479 2.863 2.124 723 HD1 TYR 110 HD2 TYR 110 8.910 5.374 2.667 724 HD2 TYR 110 HD1 TYR 110 6.424 3.048 5.206 725 HE1 TYR 110 HE2 TYR 110 10.108 6.244 4.636 726 HE2 TYR 110 HE1 TYR 110 7.612 3.892 7.172 727 HH TYR 110 HH TYR 110 9.753 6.517 7.078 728 H ILE 111 H ILE 111 3.955 5.233 2.256 729 HA ILE 111 HA ILE 111 4.791 7.987 2.809 730 HB ILE 111 HB ILE 111 2.544 8.715 2.305 731 HG12 ILE 111 2HG1 ILE 111 1.894 5.826 1.696 732 HG13 ILE 111 3HG1 ILE 111 1.365 6.684 3.135 733 HG21 ILE 111 2HG2 ILE 111 2.455 8.137 -0.086 734 HG22 ILE 111 1HG2 ILE 111 3.611 6.835 0.197 735 HG23 ILE 111 3HG2 ILE 111 4.094 8.513 0.443 736 HD11 ILE 111 3HD1 ILE 111 0.111 8.247 1.738 737 HD12 ILE 111 2HD1 ILE 111 -0.402 6.579 1.475 738 HD13 ILE 111 1HD1 ILE 111 0.643 7.375 0.296 739 H HIS 112 H HIS 112 4.803 8.617 4.829 740 HA HIS 112 HA HIS 112 2.857 7.424 6.683 741 HB2 HIS 112 HB2 HIS 112 4.549 7.369 8.444 742 HB3 HIS 112 HB3 HIS 112 5.094 6.412 7.072 743 HD1 HIS 112 HD1 HIS 112 5.758 9.642 8.876 744 HD2 HIS 112 HD2 HIS 112 7.435 7.322 5.829 745 HE1 HIS 112 HE1 HIS 112 8.024 10.625 8.439 746 HE2 HIS 112 HE2 HIS 112 9.102 9.058 6.796 747 H ILE 113 H ILE 113 2.332 8.859 8.491 748 HA ILE 113 HA ILE 113 2.188 11.568 7.869 749 HB ILE 113 HB ILE 113 1.671 11.885 10.282 750 HG12 ILE 113 2HG1 ILE 113 3.101 9.929 11.075 751 HG13 ILE 113 3HG1 ILE 113 1.530 10.121 11.840 752 HG21 ILE 113 2HG2 ILE 113 0.154 9.717 8.870 753 HG22 ILE 113 1HG2 ILE 113 -0.082 11.455 8.686 754 HG23 ILE 113 3HG2 ILE 113 -0.456 10.672 10.221 755 HD11 ILE 113 3HD1 ILE 113 2.238 8.138 9.689 756 HD12 ILE 113 2HD1 ILE 113 0.634 8.349 10.394 757 HD13 ILE 113 1HD1 ILE 113 1.975 7.796 11.399 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 -26.091 -1.842 -2.811 2 H2 GLY 1 H2 GLY 1 -26.392 -2.427 -1.247 3 H3 GLY 1 H3 GLY 1 -25.553 -3.386 -2.363 4 HA2 GLY 1 HA2 GLY 1 -23.743 -1.751 -2.396 5 HA3 GLY 1 HA1 GLY 1 -24.607 -0.843 -1.163 6 H SER 2 H SER 2 -22.916 -3.835 -1.872 7 HA SER 2 HA SER 2 -23.084 -4.782 0.841 8 HB2 SER 2 HB2 SER 2 -21.362 -5.792 -1.436 9 HB3 SER 2 HB3 SER 2 -21.746 -6.655 0.054 10 HG SER 2 HG SER 2 -23.113 -7.373 -1.577 11 H SER 3 H SER 3 -22.104 -3.252 2.145 12 HA SER 3 HA SER 3 -19.230 -2.832 1.737 13 HB2 SER 3 HB2 SER 3 -19.526 -1.073 3.530 14 HB3 SER 3 HB3 SER 3 -20.401 -0.758 2.033 15 HG SER 3 HG SER 3 -21.720 -0.395 3.845 16 H ILE 4 H ILE 4 -17.920 -2.834 3.826 17 HA ILE 4 HA ILE 4 -18.123 -5.357 5.071 18 HB ILE 4 HB ILE 4 -16.606 -2.928 6.054 19 HG12 ILE 4 2HG1 ILE 4 -15.678 -5.214 4.297 20 HG13 ILE 4 3HG1 ILE 4 -16.047 -3.591 3.723 21 HG21 ILE 4 2HG2 ILE 4 -16.836 -4.619 7.777 22 HG22 ILE 4 1HG2 ILE 4 -15.174 -4.574 7.193 23 HG23 ILE 4 3HG2 ILE 4 -16.258 -5.863 6.669 24 HD11 ILE 4 3HD1 ILE 4 -14.237 -2.691 5.075 25 HD12 ILE 4 2HD1 ILE 4 -13.651 -3.937 3.973 26 HD13 ILE 4 1HD1 ILE 4 -13.877 -4.307 5.683 27 H SER 5 H SER 5 -18.479 -2.159 6.600 28 HA SER 5 HA SER 5 -20.885 -2.990 7.958 29 HB2 SER 5 HB2 SER 5 -18.417 -2.215 9.549 30 HB3 SER 5 HB3 SER 5 -20.031 -2.461 10.219 31 HG SER 5 HG SER 5 -19.329 -4.592 8.743 32 H HIS 6 H HIS 6 -22.106 -1.343 7.299 33 HA HIS 6 HA HIS 6 -22.890 0.738 6.871 34 HB2 HIS 6 HB2 HIS 6 -20.668 1.619 8.729 35 HB3 HIS 6 HB3 HIS 6 -21.886 2.700 8.066 36 HD1 HIS 6 HD1 HIS 6 -21.216 1.403 11.129 37 HD2 HIS 6 HD2 HIS 6 -24.594 1.113 8.721 38 HE1 HIS 6 HE1 HIS 6 -23.119 0.876 12.689 39 HE2 HIS 6 HE2 HIS 6 -25.179 0.890 11.230 40 H SER 7 H SER 7 -19.521 1.692 7.224 41 HA SER 7 HA SER 7 -19.036 1.673 4.384 42 HB2 SER 7 HB2 SER 7 -20.246 3.828 4.715 43 HB3 SER 7 HB3 SER 7 -19.029 4.305 5.897 44 HG SER 7 HG SER 7 -18.217 3.527 3.318 45 H GLY 8 H GLY 8 -16.810 1.789 3.930 46 HA2 GLY 8 HA1 GLY 8 -15.018 2.063 6.248 47 HA3 GLY 8 HA2 GLY 8 -14.968 0.572 5.318 48 H ASN 9 H ASN 9 -15.178 1.429 2.765 49 HA ASN 9 HA ASN 9 -13.101 3.448 2.366 50 HB2 ASN 9 HB2 ASN 9 -12.079 1.119 2.419 51 HB3 ASN 9 HB3 ASN 9 -13.024 0.757 0.981 52 HD21 ASN 9 1HD2 ASN 9 -10.167 0.728 1.278 53 HD22 ASN 9 2HD2 ASN 9 -9.546 1.866 0.131 54 H LEU 10 H LEU 10 -13.224 4.464 0.354 55 HA LEU 10 HA LEU 10 -15.849 4.428 -0.864 56 HB2 LEU 10 HB2 LEU 10 -13.400 6.066 -1.488 57 HB3 LEU 10 HB3 LEU 10 -15.014 6.374 -2.099 58 HG LEU 10 HG LEU 10 -14.187 6.541 0.800 59 HD11 LEU 10 2HD1 LEU 10 -14.790 8.716 -1.195 60 HD12 LEU 10 1HD1 LEU 10 -13.201 8.316 -0.541 61 HD13 LEU 10 3HD1 LEU 10 -14.457 8.949 0.522 62 HD21 LEU 10 3HD2 LEU 10 -16.787 7.235 -0.562 63 HD22 LEU 10 2HD2 LEU 10 -16.396 7.559 1.128 64 HD23 LEU 10 1HD2 LEU 10 -16.517 5.896 0.553 65 H TYR 11 H TYR 11 -13.075 2.699 -1.302 66 HA TYR 11 HA TYR 11 -12.932 2.872 -4.179 67 HB2 TYR 11 HB2 TYR 11 -11.131 2.209 -2.117 68 HB3 TYR 11 HB3 TYR 11 -11.319 0.756 -3.097 69 HD1 TYR 11 HD2 TYR 11 -10.277 4.280 -3.119 70 HD2 TYR 11 HD1 TYR 11 -10.486 0.662 -5.343 71 HE1 TYR 11 HE2 TYR 11 -8.773 5.241 -4.809 72 HE2 TYR 11 HE1 TYR 11 -8.983 1.611 -7.041 73 HH TYR 11 HH TYR 11 -7.380 4.684 -6.560 74 H THR 12 H THR 12 -12.366 0.538 -5.119 75 HA THR 12 HA THR 12 -14.951 -0.696 -5.289 76 HB THR 12 HB THR 12 -12.440 -1.649 -6.669 77 HG1 THR 12 HG1 THR 12 -14.027 0.660 -7.149 78 HG21 THR 12 3HG2 THR 12 -14.017 -2.199 -8.475 79 HG22 THR 12 1HG2 THR 12 -15.351 -1.589 -7.494 80 HG23 THR 12 2HG2 THR 12 -14.451 -3.013 -6.972 81 H ALA 13 H ALA 13 -15.154 -3.100 -5.247 82 HA ALA 13 HA ALA 13 -14.466 -3.976 -2.662 83 HB1 ALA 13 HB1 ALA 13 -15.691 -6.003 -3.219 84 HB2 ALA 13 HB2 ALA 13 -16.582 -4.570 -3.732 85 HB3 ALA 13 HB3 ALA 13 -15.708 -5.537 -4.920 86 H GLY 14 H GLY 14 -12.368 -4.398 -2.254 87 HA2 GLY 14 HA1 GLY 14 -10.579 -5.874 -2.120 88 HA3 GLY 14 HA2 GLY 14 -11.286 -6.805 -3.434 89 H GLN 15 H GLN 15 -9.838 -3.620 -2.877 90 HA GLN 15 HA GLN 15 -8.331 -3.974 -5.392 91 HB2 GLN 15 HB2 GLN 15 -9.119 -1.395 -4.014 92 HB3 GLN 15 HB3 GLN 15 -8.176 -1.514 -5.494 93 HG2 GLN 15 HG2 GLN 15 -10.943 -2.633 -5.249 94 HG3 GLN 15 HG3 GLN 15 -10.625 -0.969 -5.733 95 HE21 GLN 15 1HE2 GLN 15 -10.075 -4.334 -6.582 96 HE22 GLN 15 2HE2 GLN 15 -9.915 -4.049 -8.275 97 H CYS 16 H CYS 16 -6.161 -3.005 -5.398 98 HA CYS 16 HA CYS 16 -4.602 -3.791 -3.206 99 HB2 CYS 16 HB2 CYS 16 -2.816 -2.364 -4.354 100 HB3 CYS 16 HB3 CYS 16 -3.516 -3.671 -5.303 101 HG CYS 16 HG CYS 16 -3.694 -2.024 -7.292 102 H THR 17 H THR 17 -5.758 -0.621 -4.247 103 HA THR 17 HA THR 17 -4.529 0.777 -2.061 104 HB THR 17 HB THR 17 -6.058 2.663 -2.877 105 HG1 THR 17 HG1 THR 17 -6.841 2.155 -5.095 106 HG21 THR 17 3HG2 THR 17 -4.721 3.070 -4.884 107 HG22 THR 17 1HG2 THR 17 -4.189 1.389 -4.879 108 HG23 THR 17 2HG2 THR 17 -3.711 2.468 -3.570 109 H TRP 18 H TRP 18 -7.571 -0.738 -2.692 110 HA TRP 18 HA TRP 18 -9.144 0.429 -0.678 111 HB2 TRP 18 HB2 TRP 18 -10.030 -0.877 -2.572 112 HB3 TRP 18 HB3 TRP 18 -9.283 -2.323 -1.917 113 HD1 TRP 18 HD1 TRP 18 -12.224 0.069 -1.301 114 HE1 TRP 18 HE1 TRP 18 -13.937 -1.146 0.191 115 HE3 TRP 18 HE3 TRP 18 -9.537 -4.146 -0.192 116 HZ2 TRP 18 HZ2 TRP 18 -14.134 -3.550 1.636 117 HZ3 TRP 18 HZ3 TRP 18 -10.570 -5.850 1.247 118 HH2 TRP 18 HH2 TRP 18 -12.819 -5.559 2.143 119 H TYR 19 H TYR 19 -7.214 -2.557 -0.754 120 HA TYR 19 HA TYR 19 -7.855 -3.319 1.911 121 HB2 TYR 19 HB2 TYR 19 -7.182 -4.918 0.179 122 HB3 TYR 19 HB3 TYR 19 -5.577 -4.197 0.135 123 HD1 TYR 19 HD2 TYR 19 -7.924 -5.618 2.687 124 HD2 TYR 19 HD1 TYR 19 -3.930 -5.318 1.257 125 HE1 TYR 19 HE2 TYR 19 -7.188 -7.189 4.431 126 HE2 TYR 19 HE1 TYR 19 -3.185 -6.889 2.992 127 HH TYR 19 HH TYR 19 -3.772 -7.907 4.933 128 H VAL 20 H VAL 20 -5.093 -1.652 0.462 129 HA VAL 20 HA VAL 20 -3.473 -1.463 2.717 130 HB VAL 20 HB VAL 20 -3.846 0.501 0.449 131 HG11 VAL 20 2HG1 VAL 20 -2.969 1.693 2.393 132 HG12 VAL 20 1HG1 VAL 20 -1.725 1.514 1.153 133 HG13 VAL 20 3HG1 VAL 20 -1.706 0.478 2.581 134 HG21 VAL 20 3HG2 VAL 20 -1.681 -1.519 1.033 135 HG22 VAL 20 2HG2 VAL 20 -1.752 -0.443 -0.363 136 HG23 VAL 20 1HG2 VAL 20 -2.967 -1.707 -0.159 137 H TYR 21 H TYR 21 -6.170 0.594 1.692 138 HA TYR 21 HA TYR 21 -5.931 2.448 3.819 139 HB2 TYR 21 HB2 TYR 21 -7.188 2.821 1.659 140 HB3 TYR 21 HB3 TYR 21 -8.454 1.773 2.292 141 HD1 TYR 21 HD1 TYR 21 -6.509 4.807 3.253 142 HD2 TYR 21 HD2 TYR 21 -10.222 2.737 3.408 143 HE1 TYR 21 HE1 TYR 21 -7.513 6.711 4.423 144 HE2 TYR 21 HE2 TYR 21 -11.245 4.647 4.560 145 HH TYR 21 HH TYR 21 -9.639 7.687 4.878 146 H ASP 22 H ASP 22 -7.681 -0.576 3.420 147 HA ASP 22 HA ASP 22 -9.185 -0.517 5.799 148 HB2 ASP 22 HB2 ASP 22 -9.669 -2.140 4.081 149 HB3 ASP 22 HB3 ASP 22 -8.061 -2.836 4.214 150 H LYS 23 H LYS 23 -5.974 -1.821 5.105 151 HA LYS 23 HA LYS 23 -5.521 -2.930 7.658 152 HB2 LYS 23 HB2 LYS 23 -3.640 -2.124 5.451 153 HB3 LYS 23 HB3 LYS 23 -3.103 -2.921 6.925 154 HG2 LYS 23 HG2 LYS 23 -5.164 -4.062 5.054 155 HG3 LYS 23 HG3 LYS 23 -3.440 -4.440 4.986 156 HD2 LYS 23 HD2 LYS 23 -5.112 -4.828 7.461 157 HD3 LYS 23 HD3 LYS 23 -4.890 -6.086 6.245 158 HE2 LYS 23 HE2 LYS 23 -2.437 -5.901 6.576 159 HE3 LYS 23 HE3 LYS 23 -2.734 -4.743 7.871 160 HZ1 LYS 23 HZ1 LYS 23 -3.898 -7.465 7.909 161 HZ2 LYS 23 HZ2 LYS 23 -3.712 -6.383 9.205 162 HZ3 LYS 23 HZ3 LYS 23 -2.351 -7.143 8.527 163 H VAL 24 H VAL 24 -4.917 0.303 6.398 164 HA VAL 24 HA VAL 24 -3.327 1.028 8.710 165 HB VAL 24 HB VAL 24 -3.271 3.288 7.784 166 HG11 VAL 24 2HG1 VAL 24 -1.640 1.689 6.982 167 HG12 VAL 24 1HG1 VAL 24 -2.110 2.781 5.680 168 HG13 VAL 24 3HG1 VAL 24 -2.756 1.141 5.730 169 HG21 VAL 24 3HG2 VAL 24 -5.530 3.391 6.878 170 HG22 VAL 24 2HG2 VAL 24 -5.101 2.208 5.641 171 HG23 VAL 24 1HG2 VAL 24 -4.339 3.798 5.643 172 H GLY 25 H GLY 25 -6.468 0.417 8.427 173 HA2 GLY 25 HA1 GLY 25 -8.233 0.846 9.838 174 HA3 GLY 25 HA2 GLY 25 -7.140 1.813 10.818 175 H GLY 26 H GLY 26 -7.567 2.470 7.437 176 HA2 GLY 26 HA1 GLY 26 -8.422 4.280 6.327 177 HA3 GLY 26 HA2 GLY 26 -9.670 4.316 7.562 178 H GLU 27 H GLU 27 -6.196 4.780 8.016 179 HA GLU 27 HA GLU 27 -6.802 7.288 9.354 180 HB2 GLU 27 HB2 GLU 27 -5.473 5.726 10.612 181 HB3 GLU 27 HB3 GLU 27 -4.310 5.591 9.301 182 HG2 GLU 27 HG2 GLU 27 -3.509 7.781 9.659 183 HG3 GLU 27 HG3 GLU 27 -4.852 8.170 10.733 184 H ILE 28 H ILE 28 -4.511 6.106 6.885 185 HA ILE 28 HA ILE 28 -3.841 8.852 6.268 186 HB ILE 28 HB ILE 28 -2.322 7.696 4.485 187 HG12 ILE 28 2HG1 ILE 28 -1.516 5.467 5.667 188 HG13 ILE 28 3HG1 ILE 28 -3.207 5.407 6.177 189 HG21 ILE 28 2HG2 ILE 28 -0.567 7.433 6.192 190 HG22 ILE 28 1HG2 ILE 28 -1.801 7.554 7.447 191 HG23 ILE 28 3HG2 ILE 28 -1.491 8.924 6.380 192 HD11 ILE 28 3HD1 ILE 28 -2.901 4.106 4.212 193 HD12 ILE 28 2HD1 ILE 28 -2.181 5.479 3.370 194 HD13 ILE 28 1HD1 ILE 28 -3.883 5.522 3.836 195 H GLY 29 H GLY 29 -3.297 7.953 3.383 196 HA2 GLY 29 HA1 GLY 29 -5.150 9.690 2.332 197 HA3 GLY 29 HA2 GLY 29 -4.239 8.528 1.387 198 H SER 30 H SER 30 -7.239 9.614 1.990 199 HA SER 30 HA SER 30 -8.397 7.075 1.048 200 HB2 SER 30 HB2 SER 30 -10.609 8.359 1.519 201 HB3 SER 30 HB3 SER 30 -9.695 7.724 2.888 202 HG SER 30 HG SER 30 -9.250 9.688 3.530 203 H THR 31 H THR 31 -7.359 10.147 0.185 204 HA THR 31 HA THR 31 -8.832 10.059 -2.360 205 HB THR 31 HB THR 31 -8.371 12.559 -2.425 206 HG1 THR 31 HG1 THR 31 -7.931 13.526 -0.379 207 HG21 THR 31 3HG2 THR 31 -10.267 13.106 -0.981 208 HG22 THR 31 1HG2 THR 31 -10.133 11.533 -0.195 209 HG23 THR 31 2HG2 THR 31 -10.583 11.634 -1.898 210 H TRP 32 H TRP 32 -6.211 8.823 -1.562 211 HA TRP 32 HA TRP 32 -4.152 10.366 -2.791 212 HB2 TRP 32 HB2 TRP 32 -2.789 8.299 -2.605 213 HB3 TRP 32 HB3 TRP 32 -3.539 8.787 -1.087 214 HD1 TRP 32 HD1 TRP 32 -5.354 6.882 -3.846 215 HE1 TRP 32 HE1 TRP 32 -6.077 4.625 -2.938 216 HE3 TRP 32 HE3 TRP 32 -3.017 7.077 0.666 217 HZ2 TRP 32 HZ2 TRP 32 -5.715 3.067 -0.595 218 HZ3 TRP 32 HZ3 TRP 32 -3.255 5.158 2.199 219 HH2 TRP 32 HH2 TRP 32 -4.571 3.195 1.577 220 H GLY 33 H GLY 33 -6.693 8.678 -4.134 221 HA2 GLY 33 HA1 GLY 33 -7.109 8.411 -6.429 222 HA3 GLY 33 HA2 GLY 33 -5.399 8.695 -6.726 223 H ASN 34 H ASN 34 -4.457 7.034 -7.599 224 HA ASN 34 HA ASN 34 -5.117 4.369 -6.556 225 HB2 ASN 34 HB2 ASN 34 -4.559 3.418 -8.724 226 HB3 ASN 34 HB3 ASN 34 -5.846 4.606 -8.897 227 HD21 ASN 34 1HD2 ASN 34 -5.474 6.481 -10.014 228 HD22 ASN 34 2HD2 ASN 34 -4.044 6.753 -10.953 229 H ALA 35 H ALA 35 -3.068 2.920 -7.594 230 HA ALA 35 HA ALA 35 -1.164 3.427 -5.585 231 HB1 ALA 35 HB1 ALA 35 -1.021 1.497 -7.888 232 HB2 ALA 35 HB2 ALA 35 -0.028 1.456 -6.430 233 HB3 ALA 35 HB3 ALA 35 -1.767 1.188 -6.321 234 H ASN 36 H ASN 36 -1.268 4.399 -8.916 235 HA ASN 36 HA ASN 36 1.600 4.835 -9.083 236 HB2 ASN 36 HB2 ASN 36 0.198 4.100 -11.041 237 HB3 ASN 36 HB3 ASN 36 -0.542 5.703 -11.037 238 HD21 ASN 36 1HD2 ASN 36 2.226 3.834 -11.829 239 HD22 ASN 36 2HD2 ASN 36 3.105 5.075 -12.642 240 H ASN 37 H ASN 37 -1.266 6.622 -8.374 241 HA ASN 37 HA ASN 37 0.053 9.211 -8.672 242 HB2 ASN 37 HB2 ASN 37 -2.243 8.883 -9.545 243 HB3 ASN 37 HB3 ASN 37 -2.801 8.516 -7.920 244 HD21 ASN 37 1HD2 ASN 37 -3.293 10.152 -6.549 245 HD22 ASN 37 2HD2 ASN 37 -3.203 11.826 -6.979 246 H TRP 38 H TRP 38 0.142 6.945 -6.443 247 HA TRP 38 HA TRP 38 -0.928 7.835 -4.082 248 HB2 TRP 38 HB2 TRP 38 0.979 5.849 -4.882 249 HB3 TRP 38 HB3 TRP 38 1.491 6.619 -3.373 250 HD1 TRP 38 HD1 TRP 38 -2.071 5.674 -4.544 251 HE1 TRP 38 HE1 TRP 38 -3.132 4.260 -2.711 252 HE3 TRP 38 HE3 TRP 38 1.927 5.356 -1.402 253 HZ2 TRP 38 HZ2 TRP 38 -2.365 3.156 -0.178 254 HZ3 TRP 38 HZ3 TRP 38 1.684 4.096 0.698 255 HH2 TRP 38 HH2 TRP 38 -0.399 3.017 1.283 256 H ALA 39 H ALA 39 2.557 8.156 -4.825 257 HA ALA 39 HA ALA 39 3.165 9.611 -2.552 258 HB1 ALA 39 HB1 ALA 39 4.873 8.562 -3.919 259 HB2 ALA 39 HB2 ALA 39 4.555 9.709 -5.226 260 HB3 ALA 39 HB3 ALA 39 5.226 10.277 -3.699 261 H ALA 40 H ALA 40 2.149 10.790 -5.722 262 HA ALA 40 HA ALA 40 2.543 13.531 -5.271 263 HB1 ALA 40 HB1 ALA 40 2.158 12.553 -7.489 264 HB2 ALA 40 HB2 ALA 40 0.484 12.221 -7.044 265 HB3 ALA 40 HB3 ALA 40 1.055 13.887 -7.155 266 H ALA 41 H ALA 41 -0.397 11.548 -4.890 267 HA ALA 41 HA ALA 41 -1.977 13.696 -3.883 268 HB1 ALA 41 HB1 ALA 41 -2.440 10.718 -3.626 269 HB2 ALA 41 HB2 ALA 41 -3.633 11.991 -3.366 270 HB3 ALA 41 HB3 ALA 41 -2.964 11.730 -4.974 271 H ALA 42 H ALA 42 -0.030 11.197 -2.418 272 HA ALA 42 HA ALA 42 -0.909 11.490 0.249 273 HB1 ALA 42 HB1 ALA 42 0.244 9.517 -0.462 274 HB2 ALA 42 HB2 ALA 42 1.677 10.455 -0.890 275 HB3 ALA 42 HB3 ALA 42 1.193 10.307 0.798 276 H GLN 43 H GLN 43 1.807 12.939 -1.552 277 HA GLN 43 HA GLN 43 2.937 14.351 0.598 278 HB2 GLN 43 HB2 GLN 43 2.946 14.923 -2.367 279 HB3 GLN 43 HB3 GLN 43 3.861 15.871 -1.203 280 HG2 GLN 43 HG2 GLN 43 5.103 13.882 -0.544 281 HG3 GLN 43 HG3 GLN 43 4.180 12.918 -1.698 282 HE21 GLN 43 1HE2 GLN 43 6.618 15.357 -1.291 283 HE22 GLN 43 2HE2 GLN 43 7.258 15.275 -2.903 284 H GLY 44 H GLY 44 0.344 15.173 -1.642 285 HA2 GLY 44 HA1 GLY 44 0.007 17.840 -0.653 286 HA3 GLY 44 HA2 GLY 44 -1.110 16.963 -1.690 287 H ALA 45 H ALA 45 -0.820 14.798 0.575 288 HA ALA 45 HA ALA 45 -3.117 15.767 2.072 289 HB1 ALA 45 HB1 ALA 45 -1.763 13.071 2.118 290 HB2 ALA 45 HB2 ALA 45 -3.275 13.487 2.924 291 HB3 ALA 45 HB3 ALA 45 -3.182 13.502 1.163 292 H GLY 46 H GLY 46 0.255 15.614 2.390 293 HA2 GLY 46 HA1 GLY 46 1.384 16.763 4.133 294 HA3 GLY 46 HA2 GLY 46 0.017 16.449 5.192 295 H PHE 47 H PHE 47 1.382 13.908 3.230 296 HA PHE 47 HA PHE 47 2.117 12.483 5.660 297 HB2 PHE 47 HB2 PHE 47 2.226 11.574 2.776 298 HB3 PHE 47 HB3 PHE 47 2.540 10.560 4.173 299 HD1 PHE 47 HD2 PHE 47 -0.033 12.527 5.281 300 HD2 PHE 47 HD1 PHE 47 0.738 9.447 2.453 301 HE1 PHE 47 HE2 PHE 47 -2.415 11.908 5.302 302 HE2 PHE 47 HE1 PHE 47 -1.637 8.807 2.466 303 HZ PHE 47 HZ PHE 47 -3.216 10.058 3.895 304 H THR 48 H THR 48 4.197 11.496 5.916 305 HA THR 48 HA THR 48 6.392 13.022 4.753 306 HB THR 48 HB THR 48 6.577 10.744 6.739 307 HG1 THR 48 HG1 THR 48 5.352 12.216 7.825 308 HG21 THR 48 3HG2 THR 48 8.689 11.848 7.361 309 HG22 THR 48 1HG2 THR 48 8.425 13.048 6.096 310 HG23 THR 48 2HG2 THR 48 8.680 11.357 5.667 311 H VAL 49 H VAL 49 6.816 12.358 2.722 312 HA VAL 49 HA VAL 49 6.496 9.523 2.070 313 HB VAL 49 HB VAL 49 6.789 11.878 0.197 314 HG11 VAL 49 2HG1 VAL 49 5.990 9.014 -0.324 315 HG12 VAL 49 1HG1 VAL 49 7.500 9.781 -0.815 316 HG13 VAL 49 3HG1 VAL 49 5.971 10.316 -1.514 317 HG21 VAL 49 3HG2 VAL 49 4.740 12.053 1.485 318 HG22 VAL 49 2HG2 VAL 49 4.323 10.387 1.085 319 HG23 VAL 49 1HG2 VAL 49 4.374 11.611 -0.183 320 H ASN 50 H ASN 50 8.310 8.417 2.367 321 HA ASN 50 HA ASN 50 10.779 9.446 1.141 322 HB2 ASN 50 HB2 ASN 50 10.721 7.346 3.311 323 HB3 ASN 50 HB3 ASN 50 12.079 8.329 2.785 324 HD21 ASN 50 1HD2 ASN 50 10.871 7.820 5.426 325 HD22 ASN 50 2HD2 ASN 50 10.544 9.392 6.084 326 H HIS 51 H HIS 51 11.829 6.659 1.696 327 HA HIS 51 HA HIS 51 10.079 4.917 0.273 328 HB2 HIS 51 HB2 HIS 51 11.550 4.429 -1.639 329 HB3 HIS 51 HB3 HIS 51 11.021 6.104 -1.650 330 HD1 HIS 51 HD1 HIS 51 13.889 4.204 -2.346 331 HD2 HIS 51 HD2 HIS 51 13.249 7.757 -0.280 332 HE1 HIS 51 HE1 HIS 51 16.113 5.367 -2.299 333 HE2 HIS 51 HE2 HIS 51 15.756 7.361 -0.799 334 H THR 52 H THR 52 10.290 3.833 2.207 335 HA THR 52 HA THR 52 12.293 1.804 2.277 336 HB THR 52 HB THR 52 12.251 3.797 4.573 337 HG1 THR 52 HG1 THR 52 13.771 3.657 2.324 338 HG21 THR 52 3HG2 THR 52 13.874 1.275 4.195 339 HG22 THR 52 1HG2 THR 52 12.546 1.494 5.337 340 HG23 THR 52 2HG2 THR 52 14.036 2.416 5.531 341 HA PRO 53 HA PRO 53 8.242 0.327 3.783 342 HB2 PRO 53 HB2 PRO 53 9.144 -2.291 4.040 343 HB3 PRO 53 HB3 PRO 53 8.404 -1.604 2.591 344 HG2 PRO 53 HG2 PRO 53 11.300 -1.973 3.252 345 HG3 PRO 53 HG3 PRO 53 10.461 -2.222 1.708 346 HD2 PRO 53 HD2 PRO 53 11.930 -0.037 2.117 347 HD3 PRO 53 HD3 PRO 53 10.385 0.053 1.238 348 H SER 54 H SER 54 7.465 -0.492 5.756 349 HA SER 54 HA SER 54 9.207 -1.051 7.958 350 HB2 SER 54 HB2 SER 54 7.723 1.596 7.913 351 HB3 SER 54 HB3 SER 54 8.568 0.930 9.307 352 HG SER 54 HG SER 54 10.170 1.013 7.116 353 H LYS 55 H LYS 55 8.018 -1.814 9.767 354 HA LYS 55 HA LYS 55 5.543 -3.005 9.223 355 HB2 LYS 55 HB2 LYS 55 6.965 -3.885 10.970 356 HB3 LYS 55 HB3 LYS 55 6.878 -2.374 11.865 357 HG2 LYS 55 HG2 LYS 55 4.468 -2.742 12.213 358 HG3 LYS 55 HG3 LYS 55 4.599 -4.283 11.368 359 HD2 LYS 55 HD2 LYS 55 6.136 -3.567 13.860 360 HD3 LYS 55 HD3 LYS 55 4.625 -4.480 13.848 361 HE2 LYS 55 HE2 LYS 55 7.143 -5.305 12.407 362 HE3 LYS 55 HE3 LYS 55 6.661 -5.899 13.995 363 HZ1 LYS 55 HZ1 LYS 55 4.628 -6.786 12.980 364 HZ2 LYS 55 HZ2 LYS 55 6.026 -7.456 12.291 365 HZ3 LYS 55 HZ3 LYS 55 5.159 -6.266 11.454 366 H GLY 56 H GLY 56 3.671 -1.995 8.879 367 HA2 GLY 56 HA1 GLY 56 1.778 -0.867 9.808 368 HA3 GLY 56 HA2 GLY 56 2.875 0.112 10.774 369 H ALA 57 H ALA 57 4.310 -0.017 7.876 370 HA ALA 57 HA ALA 57 2.989 2.443 6.951 371 HB1 ALA 57 HB1 ALA 57 5.383 2.637 7.606 372 HB2 ALA 57 HB2 ALA 57 5.785 1.518 6.302 373 HB3 ALA 57 HB3 ALA 57 5.056 3.083 5.931 374 H ILE 58 H ILE 58 4.156 2.425 4.342 375 HA ILE 58 HA ILE 58 2.710 0.141 3.196 376 HB ILE 58 HB ILE 58 2.684 2.598 1.589 377 HG12 ILE 58 2HG1 ILE 58 2.205 3.369 3.978 378 HG13 ILE 58 3HG1 ILE 58 0.972 3.707 2.778 379 HG21 ILE 58 2HG2 ILE 58 0.609 0.533 2.330 380 HG22 ILE 58 1HG2 ILE 58 1.618 0.513 0.886 381 HG23 ILE 58 3HG2 ILE 58 0.422 1.787 1.106 382 HD11 ILE 58 3HD1 ILE 58 0.011 2.962 4.881 383 HD12 ILE 58 2HD1 ILE 58 0.901 1.445 4.750 384 HD13 ILE 58 1HD1 ILE 58 -0.348 1.841 3.568 385 H LEU 59 H LEU 59 3.121 0.348 0.636 386 HA LEU 59 HA LEU 59 5.949 0.771 0.047 387 HB2 LEU 59 HB2 LEU 59 5.513 -1.607 0.808 388 HB3 LEU 59 HB3 LEU 59 4.458 -1.786 -0.578 389 HG LEU 59 HG LEU 59 6.678 -0.972 -1.823 390 HD11 LEU 59 2HD1 LEU 59 7.974 -0.789 0.224 391 HD12 LEU 59 1HD1 LEU 59 8.616 -2.062 -0.815 392 HD13 LEU 59 3HD1 LEU 59 7.646 -2.481 0.598 393 HD21 LEU 59 3HD2 LEU 59 6.044 -3.785 -0.951 394 HD22 LEU 59 2HD2 LEU 59 7.088 -3.338 -2.302 395 HD23 LEU 59 1HD2 LEU 59 5.370 -2.943 -2.348 396 H GLN 60 H GLN 60 6.046 1.837 -1.913 397 HA GLN 60 HA GLN 60 3.753 1.543 -3.735 398 HB2 GLN 60 HB2 GLN 60 3.434 3.489 -2.207 399 HB3 GLN 60 HB3 GLN 60 4.911 4.192 -2.843 400 HG2 GLN 60 HG2 GLN 60 2.689 3.486 -4.700 401 HG3 GLN 60 HG3 GLN 60 2.591 4.949 -3.728 402 HE21 GLN 60 1HE2 GLN 60 2.705 4.717 -6.582 403 HE22 GLN 60 2HE2 GLN 60 4.123 5.568 -7.104 404 H SER 61 H SER 61 4.208 1.512 -5.800 405 HA SER 61 HA SER 61 6.821 2.487 -6.741 406 HB2 SER 61 HB2 SER 61 6.909 0.069 -6.798 407 HB3 SER 61 HB3 SER 61 5.325 -0.014 -7.566 408 HG SER 61 HG SER 61 7.763 0.955 -8.673 409 H SER 62 H SER 62 6.756 3.712 -8.594 410 HA SER 62 HA SER 62 4.099 4.149 -9.792 411 HB2 SER 62 HB2 SER 62 6.504 5.967 -10.022 412 HB3 SER 62 HB3 SER 62 4.821 6.348 -10.390 413 HG SER 62 HG SER 62 6.133 6.197 -7.935 414 H GLU 63 H GLU 63 6.526 2.226 -10.228 415 HA GLU 63 HA GLU 63 7.248 2.842 -12.969 416 HB2 GLU 63 HB2 GLU 63 8.100 0.548 -11.184 417 HB3 GLU 63 HB3 GLU 63 8.764 0.901 -12.770 418 HG2 GLU 63 HG2 GLU 63 10.330 1.727 -11.254 419 HG3 GLU 63 HG3 GLU 63 9.461 3.147 -11.826 420 H GLY 64 H GLY 64 4.551 1.810 -11.914 421 HA2 GLY 64 HA1 GLY 64 4.284 -0.422 -13.830 422 HA3 GLY 64 HA2 GLY 64 3.401 -0.368 -12.309 423 HA PRO 65 HA PRO 65 1.092 1.563 -16.026 424 HB2 PRO 65 HB2 PRO 65 -1.107 -0.082 -15.843 425 HB3 PRO 65 HB3 PRO 65 0.269 -0.373 -16.911 426 HG2 PRO 65 HG2 PRO 65 -0.349 -1.564 -14.243 427 HG3 PRO 65 HG3 PRO 65 0.336 -2.336 -15.684 428 HD2 PRO 65 HD2 PRO 65 1.854 -1.613 -13.574 429 HD3 PRO 65 HD3 PRO 65 2.468 -1.562 -15.241 430 H PHE 66 H PHE 66 -0.289 0.223 -13.046 431 HA PHE 66 HA PHE 66 -1.545 2.838 -12.560 432 HB2 PHE 66 HB2 PHE 66 -2.548 0.070 -11.870 433 HB3 PHE 66 HB3 PHE 66 -3.197 1.527 -11.127 434 HD1 PHE 66 HD2 PHE 66 -4.423 3.164 -12.480 435 HD2 PHE 66 HD1 PHE 66 -3.123 -0.550 -14.095 436 HE1 PHE 66 HE2 PHE 66 -5.980 3.444 -14.362 437 HE2 PHE 66 HE1 PHE 66 -4.679 -0.277 -15.983 438 HZ PHE 66 HZ PHE 66 -6.109 1.722 -16.118 439 H GLY 67 H GLY 67 1.097 1.563 -11.891 440 HA2 GLY 67 HA1 GLY 67 2.559 2.051 -10.154 441 HA3 GLY 67 HA2 GLY 67 1.187 2.549 -9.174 442 H HIS 68 H HIS 68 2.127 1.428 -7.418 443 HA HIS 68 HA HIS 68 1.167 -1.268 -7.162 444 HB2 HIS 68 HB2 HIS 68 3.437 -1.515 -8.299 445 HB3 HIS 68 HB3 HIS 68 4.148 -0.827 -6.833 446 HD1 HIS 68 HD1 HIS 68 3.515 -3.980 -8.333 447 HD2 HIS 68 HD2 HIS 68 3.224 -2.520 -4.453 448 HE1 HIS 68 HE1 HIS 68 3.546 -6.005 -6.841 449 HE2 HIS 68 HE2 HIS 68 3.058 -5.104 -4.537 450 H VAL 69 H VAL 69 0.035 -0.566 -5.272 451 HA VAL 69 HA VAL 69 1.861 0.190 -3.107 452 HB VAL 69 HB VAL 69 -0.040 1.173 -1.945 453 HG11 VAL 69 2HG1 VAL 69 0.297 2.135 -4.778 454 HG12 VAL 69 1HG1 VAL 69 1.351 2.521 -3.417 455 HG13 VAL 69 3HG1 VAL 69 -0.319 3.091 -3.430 456 HG21 VAL 69 3HG2 VAL 69 -2.186 1.485 -3.090 457 HG22 VAL 69 2HG2 VAL 69 -1.835 -0.227 -2.844 458 HG23 VAL 69 1HG2 VAL 69 -1.610 0.499 -4.434 459 H ALA 70 H ALA 70 2.097 -1.037 -1.445 460 HA ALA 70 HA ALA 70 0.158 -3.156 -0.849 461 HB1 ALA 70 HB1 ALA 70 2.005 -4.734 -0.474 462 HB2 ALA 70 HB2 ALA 70 1.931 -4.201 -2.155 463 HB3 ALA 70 HB3 ALA 70 3.144 -3.526 -1.069 464 H TYR 71 H TYR 71 -0.271 -3.252 1.292 465 HA TYR 71 HA TYR 71 0.987 -1.347 3.013 466 HB2 TYR 71 HB2 TYR 71 -1.342 -1.725 3.346 467 HB3 TYR 71 HB3 TYR 71 -1.106 -3.470 3.480 468 HD1 TYR 71 HD2 TYR 71 -0.489 -0.240 5.175 469 HD2 TYR 71 HD1 TYR 71 -0.582 -4.479 5.537 470 HE1 TYR 71 HE2 TYR 71 -0.271 -0.024 7.611 471 HE2 TYR 71 HE1 TYR 71 -0.362 -4.273 7.987 472 HH TYR 71 HH TYR 71 -0.567 -1.165 9.598 473 H VAL 72 H VAL 72 2.584 -1.647 4.454 474 HA VAL 72 HA VAL 72 3.984 -4.207 4.313 475 HB VAL 72 HB VAL 72 4.901 -1.633 5.601 476 HG11 VAL 72 2HG1 VAL 72 7.146 -2.618 5.320 477 HG12 VAL 72 1HG1 VAL 72 6.396 -4.107 4.747 478 HG13 VAL 72 3HG1 VAL 72 6.114 -3.555 6.401 479 HG21 VAL 72 3HG2 VAL 72 5.404 -2.646 2.806 480 HG22 VAL 72 2HG2 VAL 72 6.183 -1.245 3.543 481 HG23 VAL 72 1HG2 VAL 72 4.440 -1.233 3.254 482 H GLU 73 H GLU 73 3.666 -5.668 5.854 483 HA GLU 73 HA GLU 73 2.578 -4.791 8.413 484 HB2 GLU 73 HB2 GLU 73 2.911 -7.575 7.287 485 HB3 GLU 73 HB3 GLU 73 2.147 -7.186 8.824 486 HG2 GLU 73 HG2 GLU 73 0.557 -5.729 7.465 487 HG3 GLU 73 HG3 GLU 73 1.193 -6.570 6.053 488 H SER 74 H SER 74 5.486 -6.138 7.032 489 HA SER 74 HA SER 74 6.921 -5.770 9.496 490 HB2 SER 74 HB2 SER 74 6.603 -8.590 8.428 491 HB3 SER 74 HB3 SER 74 7.649 -8.104 9.758 492 HG SER 74 HG SER 74 5.045 -8.743 9.798 493 H VAL 75 H VAL 75 9.024 -5.325 9.059 494 HA VAL 75 HA VAL 75 10.147 -6.367 6.545 495 HB VAL 75 HB VAL 75 11.333 -4.283 8.401 496 HG11 VAL 75 2HG1 VAL 75 12.213 -5.235 5.669 497 HG12 VAL 75 1HG1 VAL 75 13.033 -5.559 7.197 498 HG13 VAL 75 3HG1 VAL 75 12.940 -3.910 6.580 499 HG21 VAL 75 3HG2 VAL 75 9.349 -3.435 7.275 500 HG22 VAL 75 2HG2 VAL 75 9.987 -3.967 5.719 501 HG23 VAL 75 1HG2 VAL 75 10.802 -2.683 6.615 502 H ASN 76 H ASN 76 11.265 -8.167 6.704 503 HA ASN 76 HA ASN 76 11.520 -9.444 9.219 504 HB2 ASN 76 HB2 ASN 76 12.618 -10.247 6.519 505 HB3 ASN 76 HB3 ASN 76 12.548 -11.286 7.937 506 HD21 ASN 76 1HD2 ASN 76 11.324 -11.559 5.298 507 HD22 ASN 76 2HD2 ASN 76 9.625 -11.745 5.596 508 H SER 77 H SER 77 13.487 -10.372 10.093 509 HA SER 77 HA SER 77 15.442 -8.430 10.586 510 HB2 SER 77 HB2 SER 77 14.861 -10.248 12.147 511 HB3 SER 77 HB3 SER 77 15.576 -11.421 11.043 512 HG SER 77 HG SER 77 16.780 -9.715 12.836 513 H ASP 78 H ASP 78 15.292 -10.989 8.208 514 HA ASP 78 HA ASP 78 18.088 -10.924 7.577 515 HB2 ASP 78 HB2 ASP 78 17.516 -12.398 5.720 516 HB3 ASP 78 HB3 ASP 78 16.733 -12.941 7.200 517 H GLY 79 H GLY 79 15.379 -9.022 6.652 518 HA2 GLY 79 HA1 GLY 79 16.078 -6.874 5.604 519 HA3 GLY 79 HA2 GLY 79 16.983 -7.848 4.455 520 H SER 80 H SER 80 14.669 -9.831 4.491 521 HA SER 80 HA SER 80 13.294 -8.718 2.258 522 HB2 SER 80 HB2 SER 80 11.906 -10.804 2.404 523 HB3 SER 80 HB3 SER 80 13.642 -11.095 2.312 524 HG SER 80 HG SER 80 13.678 -11.568 4.488 525 H VAL 81 H VAL 81 11.158 -8.045 2.087 526 HA VAL 81 HA VAL 81 9.964 -7.224 4.649 527 HB VAL 81 HB VAL 81 9.607 -5.989 1.912 528 HG11 VAL 81 2HG1 VAL 81 8.466 -4.185 3.095 529 HG12 VAL 81 1HG1 VAL 81 8.644 -5.063 4.614 530 HG13 VAL 81 3HG1 VAL 81 7.635 -5.724 3.327 531 HG21 VAL 81 3HG2 VAL 81 10.931 -4.136 2.797 532 HG22 VAL 81 2HG2 VAL 81 11.852 -5.641 2.804 533 HG23 VAL 81 1HG2 VAL 81 11.164 -5.021 4.305 534 H THR 82 H THR 82 8.033 -7.983 5.196 535 HA THR 82 HA THR 82 6.541 -9.581 3.260 536 HB THR 82 HB THR 82 6.215 -9.297 6.257 537 HG1 THR 82 HG1 THR 82 7.243 -11.437 4.658 538 HG21 THR 82 3HG2 THR 82 4.083 -9.835 5.148 539 HG22 THR 82 1HG2 THR 82 4.683 -11.199 6.092 540 HG23 THR 82 2HG2 THR 82 4.855 -11.198 4.337 541 H ILE 83 H ILE 83 5.069 -8.557 2.118 542 HA ILE 83 HA ILE 83 3.668 -6.267 3.331 543 HB ILE 83 HB ILE 83 3.226 -5.507 1.012 544 HG12 ILE 83 2HG1 ILE 83 5.148 -7.722 0.250 545 HG13 ILE 83 3HG1 ILE 83 3.420 -7.716 -0.087 546 HG21 ILE 83 2HG2 ILE 83 5.525 -4.737 0.551 547 HG22 ILE 83 1HG2 ILE 83 6.128 -5.884 1.749 548 HG23 ILE 83 3HG2 ILE 83 5.076 -4.559 2.247 549 HD11 ILE 83 3HD1 ILE 83 5.462 -5.798 -1.181 550 HD12 ILE 83 2HD1 ILE 83 3.728 -5.736 -1.498 551 HD13 ILE 83 1HD1 ILE 83 4.677 -7.114 -2.055 552 H SER 84 H SER 84 1.449 -5.961 2.800 553 HA SER 84 HA SER 84 0.059 -8.409 1.948 554 HB2 SER 84 HB2 SER 84 -0.033 -7.943 4.453 555 HB3 SER 84 HB3 SER 84 -0.980 -6.510 4.058 556 HG SER 84 HG SER 84 -1.643 -9.226 3.800 557 H GLU 85 H GLU 85 -0.354 -7.753 -0.083 558 HA GLU 85 HA GLU 85 -2.017 -5.348 -0.433 559 HB2 GLU 85 HB2 GLU 85 -1.201 -5.400 -2.829 560 HB3 GLU 85 HB3 GLU 85 0.016 -4.990 -1.627 561 HG2 GLU 85 HG2 GLU 85 0.915 -7.236 -1.724 562 HG3 GLU 85 HG3 GLU 85 -0.357 -7.719 -2.842 563 H MET 86 H MET 86 -4.086 -6.043 -0.503 564 HA MET 86 HA MET 86 -4.771 -8.616 -1.543 565 HB2 MET 86 HB2 MET 86 -6.077 -7.627 0.274 566 HB3 MET 86 HB3 MET 86 -6.553 -6.304 -0.779 567 HG2 MET 86 HG2 MET 86 -7.769 -7.810 -2.209 568 HG3 MET 86 HG3 MET 86 -7.211 -9.193 -1.273 569 HE1 MET 86 HE1 MET 86 -9.112 -8.838 2.078 570 HE2 MET 86 HE2 MET 86 -8.104 -9.875 1.067 571 HE3 MET 86 HE3 MET 86 -7.457 -8.360 1.696 572 H ASN 87 H ASN 87 -5.296 -9.165 -3.499 573 HA ASN 87 HA ASN 87 -5.952 -9.141 -5.645 574 HB2 ASN 87 HB2 ASN 87 -7.920 -7.894 -5.093 575 HB3 ASN 87 HB3 ASN 87 -7.010 -6.394 -4.957 576 HD21 ASN 87 1HD2 ASN 87 -8.401 -5.427 -6.472 577 HD22 ASN 87 2HD2 ASN 87 -8.261 -5.761 -8.162 578 H TYR 88 H TYR 88 -5.273 -5.687 -5.623 579 HA TYR 88 HA TYR 88 -3.950 -4.427 -6.951 580 HB2 TYR 88 HB2 TYR 88 -2.182 -5.116 -5.489 581 HB3 TYR 88 HB3 TYR 88 -2.007 -6.652 -6.332 582 HD1 TYR 88 HD1 TYR 88 -1.955 -3.002 -7.163 583 HD2 TYR 88 HD2 TYR 88 -0.205 -6.835 -7.757 584 HE1 TYR 88 HE1 TYR 88 -0.272 -1.999 -8.648 585 HE2 TYR 88 HE2 TYR 88 1.480 -5.842 -9.246 586 HH TYR 88 HH TYR 88 1.681 -2.349 -9.722 587 H SER 89 H SER 89 -3.211 -7.767 -7.965 588 HA SER 89 HA SER 89 -2.712 -6.797 -10.654 589 HB2 SER 89 HB2 SER 89 -1.181 -8.341 -9.333 590 HB3 SER 89 HB3 SER 89 -2.371 -9.609 -9.614 591 HG SER 89 HG SER 89 -1.146 -9.878 -11.328 592 H GLY 90 H GLY 90 -5.529 -7.575 -9.257 593 HA2 GLY 90 HA1 GLY 90 -7.457 -7.731 -10.673 594 HA3 GLY 90 HA2 GLY 90 -6.509 -8.670 -11.812 595 H GLY 91 H GLY 91 -5.961 -9.717 -8.635 596 HA2 GLY 91 HA1 GLY 91 -7.856 -11.925 -9.017 597 HA3 GLY 91 HA2 GLY 91 -6.473 -11.933 -7.928 598 HA PRO 92 HA PRO 92 -10.489 -9.532 -6.215 599 HB2 PRO 92 HB2 PRO 92 -12.038 -12.069 -6.393 600 HB3 PRO 92 HB3 PRO 92 -12.581 -10.398 -6.594 601 HG2 PRO 92 HG2 PRO 92 -12.264 -11.973 -8.711 602 HG3 PRO 92 HG3 PRO 92 -11.790 -10.264 -8.772 603 HD2 PRO 92 HD2 PRO 92 -10.078 -12.702 -8.490 604 HD3 PRO 92 HD3 PRO 92 -9.778 -11.212 -9.408 605 H PHE 93 H PHE 93 -9.674 -9.402 -4.260 606 HA PHE 93 HA PHE 93 -9.260 -9.802 -2.087 607 HB2 PHE 93 HB2 PHE 93 -10.979 -12.231 -2.561 608 HB3 PHE 93 HB3 PHE 93 -10.299 -11.808 -0.991 609 HD1 PHE 93 HD2 PHE 93 -12.679 -10.788 -3.605 610 HD2 PHE 93 HD1 PHE 93 -11.209 -10.035 0.318 611 HE1 PHE 93 HE2 PHE 93 -14.598 -9.310 -3.175 612 HE2 PHE 93 HE1 PHE 93 -13.127 -8.555 0.756 613 HZ PHE 93 HZ PHE 93 -14.824 -8.192 -0.989 614 H SER 94 H SER 94 -7.756 -11.271 -4.450 615 HA SER 94 HA SER 94 -6.295 -13.296 -3.089 616 HB2 SER 94 HB2 SER 94 -5.542 -11.569 -5.461 617 HB3 SER 94 HB3 SER 94 -4.590 -12.942 -4.889 618 HG SER 94 HG SER 94 -6.048 -14.297 -5.680 619 H VAL 95 H VAL 95 -5.869 -12.348 -1.045 620 HA VAL 95 HA VAL 95 -4.459 -9.907 -0.825 621 HB VAL 95 HB VAL 95 -5.743 -10.603 1.066 622 HG11 VAL 95 2HG1 VAL 95 -5.657 -13.012 0.763 623 HG12 VAL 95 1HG1 VAL 95 -5.218 -12.565 2.411 624 HG13 VAL 95 3HG1 VAL 95 -3.964 -13.026 1.260 625 HG21 VAL 95 3HG2 VAL 95 -2.808 -10.776 1.729 626 HG22 VAL 95 2HG2 VAL 95 -4.104 -10.420 2.871 627 HG23 VAL 95 1HG2 VAL 95 -3.753 -9.297 1.557 628 H SER 96 H SER 96 -2.678 -9.863 -2.043 629 HA SER 96 HA SER 96 -0.947 -12.053 -2.419 630 HB2 SER 96 HB2 SER 96 -1.209 -10.305 -4.107 631 HB3 SER 96 HB3 SER 96 -0.533 -9.111 -3.001 632 HG SER 96 HG SER 96 1.238 -9.654 -4.012 633 H SER 97 H SER 97 0.049 -12.854 -0.748 634 HA SER 97 HA SER 97 1.423 -11.143 1.163 635 HB2 SER 97 HB2 SER 97 1.399 -14.171 0.991 636 HB3 SER 97 HB3 SER 97 1.939 -13.197 2.360 637 HG SER 97 HG SER 97 -0.500 -12.396 1.825 638 H ARG 98 H ARG 98 2.878 -10.168 -0.294 639 HA ARG 98 HA ARG 98 4.693 -11.961 -1.733 640 HB2 ARG 98 HB2 ARG 98 3.389 -10.173 -2.947 641 HB3 ARG 98 HB3 ARG 98 4.364 -8.982 -2.097 642 HG2 ARG 98 HG2 ARG 98 6.379 -9.906 -3.108 643 HG3 ARG 98 HG3 ARG 98 5.401 -11.107 -3.952 644 HD2 ARG 98 HD2 ARG 98 4.259 -9.367 -5.182 645 HD3 ARG 98 HD3 ARG 98 5.120 -8.124 -4.275 646 HE ARG 98 HE ARG 98 7.159 -9.419 -5.348 647 HH11 ARG 98 2HH1 ARG 98 4.130 -8.453 -6.826 648 HH12 ARG 98 1HH1 ARG 98 4.827 -8.278 -8.414 649 HH21 ARG 98 2HH2 ARG 98 8.069 -9.167 -7.443 650 HH22 ARG 98 1HH2 ARG 98 7.047 -8.674 -8.760 651 H THR 99 H THR 99 6.949 -11.646 -1.683 652 HA THR 99 HA THR 99 7.897 -10.335 0.766 653 HB THR 99 HB THR 99 9.367 -12.386 -0.899 654 HG1 THR 99 HG1 THR 99 7.365 -13.213 -0.011 655 HG21 THR 99 3HG2 THR 99 9.718 -11.449 1.952 656 HG22 THR 99 1HG2 THR 99 10.761 -11.038 0.590 657 HG23 THR 99 2HG2 THR 99 10.665 -12.706 1.154 658 H ILE 100 H ILE 100 8.729 -8.397 0.414 659 HA ILE 100 HA ILE 100 9.933 -7.727 -2.157 660 HB ILE 100 HB ILE 100 9.456 -6.036 0.305 661 HG12 ILE 100 2HG1 ILE 100 7.381 -6.639 -0.796 662 HG13 ILE 100 3HG1 ILE 100 7.739 -4.935 -1.080 663 HG21 ILE 100 2HG2 ILE 100 10.424 -5.202 -2.424 664 HG22 ILE 100 1HG2 ILE 100 11.389 -5.243 -0.948 665 HG23 ILE 100 3HG2 ILE 100 10.037 -4.119 -1.086 666 HD11 ILE 100 3HD1 ILE 100 8.203 -7.183 -3.032 667 HD12 ILE 100 2HD1 ILE 100 8.546 -5.476 -3.317 668 HD13 ILE 100 1HD1 ILE 100 6.883 -6.016 -3.082 669 H SER 101 H SER 101 12.009 -8.316 -2.417 670 HA SER 101 HA SER 101 13.807 -8.549 -0.198 671 HB2 SER 101 HB2 SER 101 14.036 -9.864 -2.327 672 HB3 SER 101 HB3 SER 101 14.495 -8.370 -3.143 673 HG SER 101 HG SER 101 16.165 -9.931 -2.121 674 H ALA 102 H ALA 102 15.689 -7.196 0.137 675 HA ALA 102 HA ALA 102 15.207 -4.497 0.350 676 HB1 ALA 102 HB1 ALA 102 17.921 -5.767 0.019 677 HB2 ALA 102 HB2 ALA 102 17.560 -4.227 0.798 678 HB3 ALA 102 HB3 ALA 102 16.995 -5.736 1.523 679 H SER 103 H SER 103 16.474 -6.265 -2.390 680 HA SER 103 HA SER 103 17.530 -4.140 -3.876 681 HB2 SER 103 HB2 SER 103 16.907 -5.792 -5.833 682 HB3 SER 103 HB3 SER 103 18.169 -6.212 -4.674 683 HG SER 103 HG SER 103 15.519 -7.180 -4.876 684 H GLU 104 H GLU 104 14.213 -5.342 -3.580 685 HA GLU 104 HA GLU 104 13.290 -3.425 -5.568 686 HB2 GLU 104 HB2 GLU 104 11.698 -5.299 -3.804 687 HB3 GLU 104 HB3 GLU 104 11.030 -4.280 -5.066 688 HG2 GLU 104 HG2 GLU 104 11.148 -6.359 -6.053 689 HG3 GLU 104 HG3 GLU 104 12.593 -5.541 -6.648 690 H ALA 105 H ALA 105 13.383 -3.870 -2.108 691 HA ALA 105 HA ALA 105 11.519 -1.991 -1.280 692 HB1 ALA 105 HB1 ALA 105 12.616 -3.583 0.219 693 HB2 ALA 105 HB2 ALA 105 14.129 -2.691 0.061 694 HB3 ALA 105 HB3 ALA 105 12.735 -1.932 0.830 695 H GLY 106 H GLY 106 14.801 -1.545 -2.410 696 HA2 GLY 106 HA1 GLY 106 15.272 1.080 -1.622 697 HA3 GLY 106 HA2 GLY 106 15.941 0.333 -3.061 698 H ASN 107 H ASN 107 13.526 -0.036 -4.540 699 HA ASN 107 HA ASN 107 13.271 2.715 -5.435 700 HB2 ASN 107 HB2 ASN 107 12.139 1.795 -7.416 701 HB3 ASN 107 HB3 ASN 107 13.696 1.030 -7.140 702 HD21 ASN 107 1HD2 ASN 107 10.229 0.590 -7.126 703 HD22 ASN 107 2HD2 ASN 107 10.263 -1.133 -7.025 704 H TYR 108 H TYR 108 11.512 0.634 -3.456 705 HA TYR 108 HA TYR 108 8.904 1.640 -4.167 706 HB2 TYR 108 HB2 TYR 108 9.923 -0.273 -2.112 707 HB3 TYR 108 HB3 TYR 108 8.303 0.392 -1.955 708 HD1 TYR 108 HD1 TYR 108 6.833 0.211 -4.151 709 HD2 TYR 108 HD2 TYR 108 10.185 -2.250 -3.269 710 HE1 TYR 108 HE1 TYR 108 5.955 -1.517 -5.661 711 HE2 TYR 108 HE2 TYR 108 9.319 -3.980 -4.780 712 HH TYR 108 HH TYR 108 7.277 -4.689 -5.793 713 H ASN 109 H ASN 109 7.934 3.339 -3.404 714 HA ASN 109 HA ASN 109 9.153 4.934 -1.287 715 HB2 ASN 109 HB2 ASN 109 6.663 5.508 -2.922 716 HB3 ASN 109 HB3 ASN 109 7.544 6.659 -1.929 717 HD21 ASN 109 1HD2 ASN 109 7.331 5.072 -4.949 718 HD22 ASN 109 2HD2 ASN 109 8.658 5.872 -5.720 719 H TYR 110 H TYR 110 7.565 5.869 0.392 720 HA TYR 110 HA TYR 110 5.155 4.350 0.814 721 HB2 TYR 110 HB2 TYR 110 5.655 3.461 2.960 722 HB3 TYR 110 HB3 TYR 110 6.961 2.969 1.898 723 HD1 TYR 110 HD1 TYR 110 8.593 5.512 1.951 724 HD2 TYR 110 HD2 TYR 110 6.655 3.337 5.031 725 HE1 TYR 110 HE1 TYR 110 10.215 6.377 3.576 726 HE2 TYR 110 HE2 TYR 110 8.261 4.199 6.672 727 HH TYR 110 HH TYR 110 10.546 5.134 6.707 728 H ILE 111 H ILE 111 3.729 5.328 2.347 729 HA ILE 111 HA ILE 111 4.500 8.116 2.845 730 HB ILE 111 HB ILE 111 2.133 8.737 2.389 731 HG12 ILE 111 2HG1 ILE 111 1.916 5.935 1.273 732 HG13 ILE 111 3HG1 ILE 111 1.199 6.442 2.792 733 HG21 ILE 111 2HG2 ILE 111 3.823 9.031 0.673 734 HG22 ILE 111 1HG2 ILE 111 2.305 8.524 -0.066 735 HG23 ILE 111 3HG2 ILE 111 3.615 7.361 0.145 736 HD11 ILE 111 3HD1 ILE 111 -0.178 8.075 1.560 737 HD12 ILE 111 2HD1 ILE 111 -0.463 6.410 1.046 738 HD13 ILE 111 1HD1 ILE 111 0.522 7.483 0.050 739 H HIS 112 H HIS 112 4.679 8.418 4.928 740 HA HIS 112 HA HIS 112 2.656 7.205 6.681 741 HB2 HIS 112 HB2 HIS 112 4.340 6.718 8.370 742 HB3 HIS 112 HB3 HIS 112 4.759 5.909 6.868 743 HD1 HIS 112 HD1 HIS 112 6.003 8.282 9.366 744 HD2 HIS 112 HD2 HIS 112 7.046 7.084 5.506 745 HE1 HIS 112 HE1 HIS 112 8.343 9.129 8.996 746 HE2 HIS 112 HE2 HIS 112 9.019 8.200 6.760 747 H ILE 113 H ILE 113 1.998 8.476 8.405 748 HA ILE 113 HA ILE 113 1.918 11.206 7.944 749 HB ILE 113 HB ILE 113 1.108 11.217 10.408 750 HG12 ILE 113 2HG1 ILE 113 1.167 8.257 9.817 751 HG13 ILE 113 3HG1 ILE 113 2.084 9.081 11.072 752 HG21 ILE 113 2HG2 ILE 113 -0.356 11.441 8.500 753 HG22 ILE 113 1HG2 ILE 113 -1.085 10.360 9.689 754 HG23 ILE 113 3HG2 ILE 113 -0.322 9.697 8.244 755 HD11 ILE 113 3HD1 ILE 113 0.177 7.915 12.001 756 HD12 ILE 113 2HD1 ILE 113 -0.910 8.819 10.946 757 HD13 ILE 113 1HD1 ILE 113 -0.001 9.658 12.205 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 -31.053 -5.255 13.655 2 H2 GLY 1 H2 GLY 1 -31.903 -4.669 14.998 3 H3 GLY 1 H3 GLY 1 -30.264 -5.092 15.147 4 HA2 GLY 1 HA2 GLY 1 -31.374 -2.849 13.551 5 HA3 GLY 1 HA1 GLY 1 -30.476 -2.712 15.059 6 H SER 2 H SER 2 -29.899 -1.640 12.365 7 HA SER 2 HA SER 2 -27.538 -3.128 11.556 8 HB2 SER 2 HB2 SER 2 -29.086 -2.030 9.893 9 HB3 SER 2 HB3 SER 2 -28.532 -0.469 10.500 10 HG SER 2 HG SER 2 -26.508 -2.221 9.826 11 H SER 3 H SER 3 -25.876 -2.934 12.902 12 HA SER 3 HA SER 3 -25.409 -0.545 14.429 13 HB2 SER 3 HB2 SER 3 -23.681 -3.010 14.138 14 HB3 SER 3 HB3 SER 3 -23.562 -1.788 15.406 15 HG SER 3 HG SER 3 -24.989 -3.963 15.478 16 H ILE 4 H ILE 4 -24.162 -1.966 11.484 17 HA ILE 4 HA ILE 4 -22.056 0.074 11.420 18 HB ILE 4 HB ILE 4 -21.107 -1.199 9.510 19 HG12 ILE 4 2HG1 ILE 4 -23.164 -3.289 10.257 20 HG13 ILE 4 3HG1 ILE 4 -23.214 -2.311 8.795 21 HG21 ILE 4 2HG2 ILE 4 -20.225 -3.037 10.877 22 HG22 ILE 4 1HG2 ILE 4 -21.486 -2.741 12.073 23 HG23 ILE 4 3HG2 ILE 4 -20.261 -1.511 11.761 24 HD11 ILE 4 3HD1 ILE 4 -22.357 -4.528 8.332 25 HD12 ILE 4 2HD1 ILE 4 -21.076 -4.299 9.522 26 HD13 ILE 4 1HD1 ILE 4 -21.109 -3.311 8.062 27 H SER 5 H SER 5 -22.151 1.741 10.118 28 HA SER 5 HA SER 5 -24.135 1.729 7.942 29 HB2 SER 5 HB2 SER 5 -23.356 4.106 9.654 30 HB3 SER 5 HB3 SER 5 -24.561 4.094 8.366 31 HG SER 5 HG SER 5 -25.732 2.532 9.635 32 H HIS 6 H HIS 6 -21.183 3.293 9.173 33 HA HIS 6 HA HIS 6 -20.218 3.577 6.418 34 HB2 HIS 6 HB2 HIS 6 -19.143 4.606 9.054 35 HB3 HIS 6 HB3 HIS 6 -18.258 4.740 7.539 36 HD1 HIS 6 HD1 HIS 6 -18.860 6.637 6.012 37 HD2 HIS 6 HD2 HIS 6 -21.560 6.163 9.135 38 HE1 HIS 6 HE1 HIS 6 -20.340 8.672 5.945 39 HE2 HIS 6 HE2 HIS 6 -21.797 8.465 7.993 40 H SER 7 H SER 7 -19.229 1.842 5.607 41 HA SER 7 HA SER 7 -18.288 -0.306 7.158 42 HB2 SER 7 HB2 SER 7 -18.958 -0.331 4.696 43 HB3 SER 7 HB3 SER 7 -17.368 0.344 4.351 44 HG SER 7 HG SER 7 -18.100 -2.214 5.103 45 H GLY 8 H GLY 8 -16.682 2.509 5.768 46 HA2 GLY 8 HA1 GLY 8 -14.940 3.356 7.397 47 HA3 GLY 8 HA2 GLY 8 -14.241 1.751 7.247 48 H ASN 9 H ASN 9 -14.736 1.500 4.422 49 HA ASN 9 HA ASN 9 -12.609 3.311 3.490 50 HB2 ASN 9 HB2 ASN 9 -12.190 0.782 3.616 51 HB3 ASN 9 HB3 ASN 9 -13.318 0.641 2.273 52 HD21 ASN 9 1HD2 ASN 9 -10.511 -0.033 2.406 53 HD22 ASN 9 2HD2 ASN 9 -9.738 0.880 1.154 54 H LEU 10 H LEU 10 -12.790 4.281 1.468 55 HA LEU 10 HA LEU 10 -15.506 4.631 0.491 56 HB2 LEU 10 HB2 LEU 10 -12.915 5.887 -0.394 57 HB3 LEU 10 HB3 LEU 10 -14.518 6.391 -0.902 58 HG LEU 10 HG LEU 10 -13.387 6.594 1.892 59 HD11 LEU 10 2HD1 LEU 10 -14.076 8.720 -0.131 60 HD12 LEU 10 1HD1 LEU 10 -12.451 8.219 0.336 61 HD13 LEU 10 3HD1 LEU 10 -13.505 8.997 1.515 62 HD21 LEU 10 3HD2 LEU 10 -15.457 7.804 2.426 63 HD22 LEU 10 2HD2 LEU 10 -15.773 6.129 1.974 64 HD23 LEU 10 1HD2 LEU 10 -16.086 7.428 0.822 65 H TYR 11 H TYR 11 -12.717 2.819 -0.266 66 HA TYR 11 HA TYR 11 -13.018 2.693 -3.088 67 HB2 TYR 11 HB2 TYR 11 -11.392 1.258 -1.046 68 HB3 TYR 11 HB3 TYR 11 -11.516 0.575 -2.656 69 HD1 TYR 11 HD1 TYR 11 -10.863 2.064 -4.625 70 HD2 TYR 11 HD2 TYR 11 -9.858 2.954 -0.589 71 HE1 TYR 11 HE1 TYR 11 -9.059 3.531 -5.410 72 HE2 TYR 11 HE2 TYR 11 -8.052 4.434 -1.361 73 HH TYR 11 HH TYR 11 -7.748 5.496 -4.529 74 H THR 12 H THR 12 -12.950 0.248 -3.943 75 HA THR 12 HA THR 12 -15.673 -0.535 -3.813 76 HB THR 12 HB THR 12 -13.330 -1.891 -5.161 77 HG1 THR 12 HG1 THR 12 -14.586 0.427 -5.648 78 HG21 THR 12 3HG2 THR 12 -15.281 -3.375 -4.945 79 HG22 THR 12 1HG2 THR 12 -14.981 -2.920 -6.622 80 HG23 THR 12 2HG2 THR 12 -16.288 -2.151 -5.718 81 H ALA 13 H ALA 13 -13.158 -3.003 -3.699 82 HA ALA 13 HA ALA 13 -13.510 -3.877 -1.072 83 HB1 ALA 13 HB1 ALA 13 -15.818 -4.347 -1.810 84 HB2 ALA 13 HB2 ALA 13 -15.182 -5.400 -3.073 85 HB3 ALA 13 HB3 ALA 13 -14.946 -5.817 -1.375 86 H GLY 14 H GLY 14 -11.732 -5.005 -0.690 87 HA2 GLY 14 HA1 GLY 14 -10.048 -6.543 -0.914 88 HA3 GLY 14 HA2 GLY 14 -10.990 -7.280 -2.201 89 H GLN 15 H GLN 15 -10.045 -3.936 -2.387 90 HA GLN 15 HA GLN 15 -8.324 -4.621 -4.650 91 HB2 GLN 15 HB2 GLN 15 -9.322 -1.902 -3.778 92 HB3 GLN 15 HB3 GLN 15 -8.456 -2.260 -5.266 93 HG2 GLN 15 HG2 GLN 15 -10.445 -3.900 -5.679 94 HG3 GLN 15 HG3 GLN 15 -11.278 -2.857 -4.522 95 HE21 GLN 15 1HE2 GLN 15 -9.938 -3.149 -7.671 96 HE22 GLN 15 2HE2 GLN 15 -10.511 -1.656 -8.309 97 H CYS 16 H CYS 16 -6.243 -3.589 -4.874 98 HA CYS 16 HA CYS 16 -4.536 -3.870 -2.754 99 HB2 CYS 16 HB2 CYS 16 -4.153 -1.981 -5.084 100 HB3 CYS 16 HB3 CYS 16 -2.883 -2.695 -4.096 101 HG CYS 16 HG CYS 16 -2.725 -4.992 -5.290 102 H THR 17 H THR 17 -5.820 -0.776 -4.006 103 HA THR 17 HA THR 17 -4.615 0.729 -1.890 104 HB THR 17 HB THR 17 -5.969 2.632 -2.852 105 HG1 THR 17 HG1 THR 17 -7.159 2.199 -4.724 106 HG21 THR 17 3HG2 THR 17 -4.731 2.750 -4.950 107 HG22 THR 17 1HG2 THR 17 -4.363 1.027 -4.846 108 HG23 THR 17 2HG2 THR 17 -3.701 2.145 -3.653 109 H TRP 18 H TRP 18 -7.551 -0.975 -2.359 110 HA TRP 18 HA TRP 18 -9.099 0.307 -0.335 111 HB2 TRP 18 HB2 TRP 18 -10.155 -1.002 -2.118 112 HB3 TRP 18 HB3 TRP 18 -9.336 -2.454 -1.559 113 HD1 TRP 18 HD1 TRP 18 -12.317 -0.211 -0.809 114 HE1 TRP 18 HE1 TRP 18 -13.811 -1.373 0.931 115 HE3 TRP 18 HE3 TRP 18 -9.239 -4.089 0.485 116 HZ2 TRP 18 HZ2 TRP 18 -13.712 -3.611 2.629 117 HZ3 TRP 18 HZ3 TRP 18 -10.021 -5.689 2.177 118 HH2 TRP 18 HH2 TRP 18 -12.206 -5.457 3.228 119 H TYR 19 H TYR 19 -7.253 -2.739 -0.499 120 HA TYR 19 HA TYR 19 -7.678 -3.563 2.133 121 HB2 TYR 19 HB2 TYR 19 -6.699 -4.926 0.250 122 HB3 TYR 19 HB3 TYR 19 -5.180 -4.074 0.507 123 HD1 TYR 19 HD2 TYR 19 -7.629 -6.345 2.116 124 HD2 TYR 19 HD1 TYR 19 -3.680 -4.761 2.202 125 HE1 TYR 19 HE2 TYR 19 -7.010 -7.992 3.834 126 HE2 TYR 19 HE1 TYR 19 -3.054 -6.403 3.922 127 HH TYR 19 HH TYR 19 -4.915 -9.098 4.671 128 H VAL 20 H VAL 20 -5.092 -1.572 0.757 129 HA VAL 20 HA VAL 20 -3.560 -1.250 3.070 130 HB VAL 20 HB VAL 20 -3.960 0.700 0.794 131 HG11 VAL 20 2HG1 VAL 20 -1.781 0.610 2.879 132 HG12 VAL 20 1HG1 VAL 20 -3.067 1.813 2.787 133 HG13 VAL 20 3HG1 VAL 20 -1.858 1.714 1.505 134 HG21 VAL 20 3HG2 VAL 20 -1.814 -1.360 1.292 135 HG22 VAL 20 2HG2 VAL 20 -1.854 -0.218 -0.051 136 HG23 VAL 20 1HG2 VAL 20 -3.092 -1.468 0.082 137 H TYR 21 H TYR 21 -6.230 0.754 1.842 138 HA TYR 21 HA TYR 21 -6.091 2.701 3.879 139 HB2 TYR 21 HB2 TYR 21 -7.243 2.956 1.648 140 HB3 TYR 21 HB3 TYR 21 -8.550 1.964 2.284 141 HD1 TYR 21 HD1 TYR 21 -6.614 5.033 3.123 142 HD2 TYR 21 HD2 TYR 21 -10.351 3.009 3.279 143 HE1 TYR 21 HE1 TYR 21 -7.650 7.040 4.075 144 HE2 TYR 21 HE2 TYR 21 -11.403 5.013 4.229 145 HH TYR 21 HH TYR 21 -10.812 7.029 5.422 146 H ASP 22 H ASP 22 -7.807 -0.352 3.615 147 HA ASP 22 HA ASP 22 -9.424 0.016 5.933 148 HB2 ASP 22 HB2 ASP 22 -10.018 -1.628 4.210 149 HB3 ASP 22 HB3 ASP 22 -8.555 -2.543 4.568 150 H LYS 23 H LYS 23 -6.314 -1.551 5.321 151 HA LYS 23 HA LYS 23 -5.955 -2.660 7.878 152 HB2 LYS 23 HB2 LYS 23 -3.944 -1.833 5.788 153 HB3 LYS 23 HB3 LYS 23 -3.522 -2.715 7.249 154 HG2 LYS 23 HG2 LYS 23 -5.526 -3.711 5.246 155 HG3 LYS 23 HG3 LYS 23 -3.806 -4.098 5.176 156 HD2 LYS 23 HD2 LYS 23 -5.463 -4.622 7.629 157 HD3 LYS 23 HD3 LYS 23 -5.349 -5.789 6.310 158 HE2 LYS 23 HE2 LYS 23 -2.908 -5.826 6.569 159 HE3 LYS 23 HE3 LYS 23 -3.037 -4.674 7.898 160 HZ1 LYS 23 HZ1 LYS 23 -4.382 -7.317 7.929 161 HZ2 LYS 23 HZ2 LYS 23 -4.131 -6.258 9.230 162 HZ3 LYS 23 HZ3 LYS 23 -2.813 -7.077 8.533 163 H VAL 24 H VAL 24 -5.160 0.545 6.615 164 HA VAL 24 HA VAL 24 -3.757 1.269 9.038 165 HB VAL 24 HB VAL 24 -3.570 3.513 8.081 166 HG11 VAL 24 2HG1 VAL 24 -2.245 2.938 6.096 167 HG12 VAL 24 1HG1 VAL 24 -2.936 1.316 6.119 168 HG13 VAL 24 3HG1 VAL 24 -1.916 1.859 7.452 169 HG21 VAL 24 3HG2 VAL 24 -4.415 3.972 5.816 170 HG22 VAL 24 2HG2 VAL 24 -5.714 3.697 6.976 171 HG23 VAL 24 1HG2 VAL 24 -5.265 2.426 5.839 172 H GLY 25 H GLY 25 -6.957 0.933 8.267 173 HA2 GLY 25 HA1 GLY 25 -8.785 1.307 9.633 174 HA3 GLY 25 HA2 GLY 25 -7.742 2.206 10.723 175 H GLY 26 H GLY 26 -7.874 3.041 7.349 176 HA2 GLY 26 HA1 GLY 26 -8.765 4.852 6.246 177 HA3 GLY 26 HA2 GLY 26 -9.941 4.988 7.544 178 H GLU 27 H GLU 27 -6.866 4.990 8.804 179 HA GLU 27 HA GLU 27 -7.039 7.674 9.688 180 HB2 GLU 27 HB2 GLU 27 -5.985 5.911 11.004 181 HB3 GLU 27 HB3 GLU 27 -4.756 5.695 9.770 182 HG2 GLU 27 HG2 GLU 27 -3.759 7.773 10.259 183 HG3 GLU 27 HG3 GLU 27 -5.133 8.278 11.246 184 H ILE 28 H ILE 28 -5.474 6.105 7.031 185 HA ILE 28 HA ILE 28 -4.604 8.690 6.007 186 HB ILE 28 HB ILE 28 -2.463 8.244 6.500 187 HG12 ILE 28 2HG1 ILE 28 -2.837 7.405 3.996 188 HG13 ILE 28 3HG1 ILE 28 -1.256 7.332 4.776 189 HG21 ILE 28 2HG2 ILE 28 -3.201 5.355 6.900 190 HG22 ILE 28 1HG2 ILE 28 -3.028 6.593 8.145 191 HG23 ILE 28 3HG2 ILE 28 -1.616 6.049 7.239 192 HD11 ILE 28 3HD1 ILE 28 -1.759 5.279 3.562 193 HD12 ILE 28 2HD1 ILE 28 -3.224 5.055 4.522 194 HD13 ILE 28 1HD1 ILE 28 -1.638 4.968 5.294 195 H GLY 29 H GLY 29 -5.287 8.933 3.952 196 HA2 GLY 29 HA1 GLY 29 -4.646 7.721 1.767 197 HA3 GLY 29 HA2 GLY 29 -5.722 6.481 2.386 198 H SER 30 H SER 30 -6.967 6.664 0.521 199 HA SER 30 HA SER 30 -8.773 7.255 -0.675 200 HB2 SER 30 HB2 SER 30 -9.254 9.214 1.574 201 HB3 SER 30 HB3 SER 30 -10.389 8.917 0.258 202 HG SER 30 HG SER 30 -10.181 7.584 2.499 203 H THR 31 H THR 31 -7.329 10.275 0.584 204 HA THR 31 HA THR 31 -7.843 11.647 -1.889 205 HB THR 31 HB THR 31 -6.445 13.467 -0.786 206 HG1 THR 31 HG1 THR 31 -6.142 13.122 1.511 207 HG21 THR 31 3HG2 THR 31 -8.865 12.408 0.683 208 HG22 THR 31 1HG2 THR 31 -8.885 13.478 -0.718 209 HG23 THR 31 2HG2 THR 31 -8.224 14.046 0.815 210 H TRP 32 H TRP 32 -5.593 9.393 -1.084 211 HA TRP 32 HA TRP 32 -3.259 10.545 -2.274 212 HB2 TRP 32 HB2 TRP 32 -2.305 8.278 -2.118 213 HB3 TRP 32 HB3 TRP 32 -3.011 8.809 -0.596 214 HD1 TRP 32 HD1 TRP 32 -5.164 7.392 -3.411 215 HE1 TRP 32 HE1 TRP 32 -6.189 5.194 -2.654 216 HE3 TRP 32 HE3 TRP 32 -2.649 6.843 0.998 217 HZ2 TRP 32 HZ2 TRP 32 -5.965 3.409 -0.458 218 HZ3 TRP 32 HZ3 TRP 32 -3.116 4.845 2.372 219 HH2 TRP 32 HH2 TRP 32 -4.739 3.171 1.658 220 H GLY 33 H GLY 33 -6.113 9.451 -3.600 221 HA2 GLY 33 HA1 GLY 33 -6.582 9.467 -5.917 222 HA3 GLY 33 HA2 GLY 33 -4.853 9.326 -6.216 223 H ASN 34 H ASN 34 -4.080 7.502 -6.813 224 HA ASN 34 HA ASN 34 -5.218 5.014 -5.849 225 HB2 ASN 34 HB2 ASN 34 -5.245 5.876 -8.676 226 HB3 ASN 34 HB3 ASN 34 -4.586 4.269 -8.396 227 HD21 ASN 34 1HD2 ASN 34 -7.416 6.290 -8.147 228 HD22 ASN 34 2HD2 ASN 34 -8.550 5.002 -7.906 229 H ALA 35 H ALA 35 -3.547 3.306 -7.242 230 HA ALA 35 HA ALA 35 -1.434 3.270 -5.491 231 HB1 ALA 35 HB1 ALA 35 -1.518 1.986 -8.210 232 HB2 ALA 35 HB2 ALA 35 -0.491 1.509 -6.858 233 HB3 ALA 35 HB3 ALA 35 -2.242 1.333 -6.740 234 H ASN 36 H ASN 36 -1.174 4.203 -8.955 235 HA ASN 36 HA ASN 36 1.608 4.869 -8.638 236 HB2 ASN 36 HB2 ASN 36 0.466 3.946 -10.726 237 HB3 ASN 36 HB3 ASN 36 -0.151 5.574 -10.984 238 HD21 ASN 36 1HD2 ASN 36 0.927 5.813 -12.893 239 HD22 ASN 36 2HD2 ASN 36 2.639 5.999 -12.988 240 H ASN 37 H ASN 37 -1.160 6.503 -7.842 241 HA ASN 37 HA ASN 37 -0.067 9.150 -8.476 242 HB2 ASN 37 HB2 ASN 37 -2.477 8.533 -9.016 243 HB3 ASN 37 HB3 ASN 37 -2.772 8.521 -7.282 244 HD21 ASN 37 1HD2 ASN 37 -2.869 10.458 -6.170 245 HD22 ASN 37 2HD2 ASN 37 -2.927 11.994 -6.973 246 H TRP 38 H TRP 38 0.138 6.922 -6.140 247 HA TRP 38 HA TRP 38 -0.594 8.028 -3.740 248 HB2 TRP 38 HB2 TRP 38 1.199 5.909 -4.617 249 HB3 TRP 38 HB3 TRP 38 1.700 6.660 -3.096 250 HD1 TRP 38 HD1 TRP 38 -1.932 5.902 -4.261 251 HE1 TRP 38 HE1 TRP 38 -3.013 4.470 -2.459 252 HE3 TRP 38 HE3 TRP 38 2.132 5.254 -1.258 253 HZ2 TRP 38 HZ2 TRP 38 -2.221 3.210 -0.002 254 HZ3 TRP 38 HZ3 TRP 38 1.904 3.924 0.781 255 HH2 TRP 38 HH2 TRP 38 -0.226 2.910 1.389 256 H ALA 39 H ALA 39 2.790 7.999 -4.867 257 HA ALA 39 HA ALA 39 3.791 9.457 -2.741 258 HB1 ALA 39 HB1 ALA 39 4.883 9.388 -5.553 259 HB2 ALA 39 HB2 ALA 39 5.777 9.825 -4.096 260 HB3 ALA 39 HB3 ALA 39 5.178 8.179 -4.303 261 H ALA 40 H ALA 40 2.202 10.636 -5.611 262 HA ALA 40 HA ALA 40 3.010 13.368 -5.253 263 HB1 ALA 40 HB1 ALA 40 1.423 13.853 -7.034 264 HB2 ALA 40 HB2 ALA 40 2.431 12.469 -7.462 265 HB3 ALA 40 HB3 ALA 40 0.772 12.219 -6.916 266 H ALA 41 H ALA 41 -0.100 11.645 -4.848 267 HA ALA 41 HA ALA 41 -1.431 13.918 -3.755 268 HB1 ALA 41 HB1 ALA 41 -2.605 12.142 -4.973 269 HB2 ALA 41 HB2 ALA 41 -2.247 11.010 -3.666 270 HB3 ALA 41 HB3 ALA 41 -3.289 12.404 -3.370 271 H ALA 42 H ALA 42 0.047 11.048 -2.364 272 HA ALA 42 HA ALA 42 -0.766 11.248 0.287 273 HB1 ALA 42 HB1 ALA 42 1.482 10.157 0.742 274 HB2 ALA 42 HB2 ALA 42 0.413 9.332 -0.398 275 HB3 ALA 42 HB3 ALA 42 1.772 10.281 -0.991 276 H GLN 43 H GLN 43 2.130 12.648 -1.258 277 HA GLN 43 HA GLN 43 3.044 14.054 1.000 278 HB2 GLN 43 HB2 GLN 43 3.493 14.396 -1.951 279 HB3 GLN 43 HB3 GLN 43 4.220 15.485 -0.779 280 HG2 GLN 43 HG2 GLN 43 5.356 13.590 0.262 281 HG3 GLN 43 HG3 GLN 43 4.631 12.509 -0.936 282 HE21 GLN 43 1HE2 GLN 43 7.455 13.178 -0.378 283 HE22 GLN 43 2HE2 GLN 43 8.096 13.715 -1.897 284 H GLY 44 H GLY 44 0.760 14.883 -1.539 285 HA2 GLY 44 HA1 GLY 44 0.472 17.629 -0.878 286 HA3 GLY 44 HA2 GLY 44 -0.680 16.658 -1.783 287 H ALA 45 H ALA 45 -1.165 14.702 0.217 288 HA ALA 45 HA ALA 45 -3.073 16.011 1.862 289 HB1 ALA 45 HB1 ALA 45 -3.426 13.825 2.875 290 HB2 ALA 45 HB2 ALA 45 -3.343 13.691 1.118 291 HB3 ALA 45 HB3 ALA 45 -1.960 13.216 2.106 292 H GLY 46 H GLY 46 0.258 15.091 2.274 293 HA2 GLY 46 HA1 GLY 46 1.388 16.660 3.868 294 HA3 GLY 46 HA2 GLY 46 0.144 16.188 5.011 295 H PHE 47 H PHE 47 1.133 13.570 3.096 296 HA PHE 47 HA PHE 47 2.419 12.367 5.387 297 HB2 PHE 47 HB2 PHE 47 2.213 11.207 2.601 298 HB3 PHE 47 HB3 PHE 47 2.520 10.337 4.095 299 HD1 PHE 47 HD1 PHE 47 0.176 12.258 5.398 300 HD2 PHE 47 HD2 PHE 47 0.507 9.449 2.221 301 HE1 PHE 47 HE1 PHE 47 -2.238 11.794 5.546 302 HE2 PHE 47 HE2 PHE 47 -1.895 8.975 2.357 303 HZ PHE 47 HZ PHE 47 -3.271 10.164 4.015 304 H THR 48 H THR 48 4.544 11.299 5.200 305 HA THR 48 HA THR 48 6.392 12.856 3.498 306 HB THR 48 HB THR 48 7.131 11.412 6.047 307 HG1 THR 48 HG1 THR 48 5.529 13.207 6.270 308 HG21 THR 48 3HG2 THR 48 9.069 12.928 5.992 309 HG22 THR 48 1HG2 THR 48 8.487 13.603 4.470 310 HG23 THR 48 2HG2 THR 48 8.987 11.914 4.553 311 H VAL 49 H VAL 49 7.616 11.709 2.033 312 HA VAL 49 HA VAL 49 7.465 8.785 2.289 313 HB VAL 49 HB VAL 49 7.634 8.530 -0.060 314 HG11 VAL 49 2HG1 VAL 49 5.660 9.700 -0.881 315 HG12 VAL 49 1HG1 VAL 49 5.736 10.812 0.486 316 HG13 VAL 49 3HG1 VAL 49 5.407 9.099 0.757 317 HG21 VAL 49 3HG2 VAL 49 7.966 10.311 -1.633 318 HG22 VAL 49 2HG2 VAL 49 9.290 10.305 -0.470 319 HG23 VAL 49 1HG2 VAL 49 8.004 11.506 -0.334 320 H ASN 50 H ASN 50 9.254 7.689 2.679 321 HA ASN 50 HA ASN 50 11.868 8.994 2.204 322 HB2 ASN 50 HB2 ASN 50 11.291 6.837 4.247 323 HB3 ASN 50 HB3 ASN 50 12.765 7.779 4.086 324 HD21 ASN 50 1HD2 ASN 50 10.781 7.333 6.273 325 HD22 ASN 50 2HD2 ASN 50 10.347 8.921 6.810 326 H HIS 51 H HIS 51 9.831 6.783 1.080 327 HA HIS 51 HA HIS 51 9.800 4.667 0.302 328 HB2 HIS 51 HB2 HIS 51 11.315 4.306 -1.629 329 HB3 HIS 51 HB3 HIS 51 10.489 5.850 -1.663 330 HD1 HIS 51 HD1 HIS 51 11.933 7.958 -1.661 331 HD2 HIS 51 HD2 HIS 51 14.124 4.443 -1.298 332 HE1 HIS 51 HE1 HIS 51 14.330 8.610 -2.029 333 HE2 HIS 51 HE2 HIS 51 15.586 6.425 -2.083 334 H THR 52 H THR 52 10.255 3.811 2.418 335 HA THR 52 HA THR 52 12.247 1.752 2.213 336 HB THR 52 HB THR 52 12.419 3.672 4.564 337 HG1 THR 52 HG1 THR 52 13.546 3.812 2.128 338 HG21 THR 52 3HG2 THR 52 14.101 1.269 3.824 339 HG22 THR 52 1HG2 THR 52 12.965 1.370 5.168 340 HG23 THR 52 2HG2 THR 52 14.421 2.367 5.167 341 HA PRO 53 HA PRO 53 8.106 0.517 3.873 342 HB2 PRO 53 HB2 PRO 53 8.782 -2.192 3.647 343 HB3 PRO 53 HB3 PRO 53 7.888 -1.233 2.466 344 HG2 PRO 53 HG2 PRO 53 10.793 -1.919 2.547 345 HG3 PRO 53 HG3 PRO 53 9.705 -1.800 1.151 346 HD2 PRO 53 HD2 PRO 53 11.448 0.132 1.659 347 HD3 PRO 53 HD3 PRO 53 9.798 0.526 1.122 348 H SER 54 H SER 54 7.410 -0.310 5.792 349 HA SER 54 HA SER 54 9.262 -1.479 7.672 350 HB2 SER 54 HB2 SER 54 8.667 0.316 9.386 351 HB3 SER 54 HB3 SER 54 9.779 0.810 8.109 352 HG SER 54 HG SER 54 7.726 2.120 8.737 353 H LYS 55 H LYS 55 8.066 -1.914 9.781 354 HA LYS 55 HA LYS 55 5.691 -3.319 9.170 355 HB2 LYS 55 HB2 LYS 55 7.157 -4.070 10.958 356 HB3 LYS 55 HB3 LYS 55 6.921 -2.565 11.836 357 HG2 LYS 55 HG2 LYS 55 4.576 -3.115 12.178 358 HG3 LYS 55 HG3 LYS 55 4.785 -4.607 11.261 359 HD2 LYS 55 HD2 LYS 55 6.420 -5.377 12.930 360 HD3 LYS 55 HD3 LYS 55 6.154 -3.897 13.855 361 HE2 LYS 55 HE2 LYS 55 4.081 -5.994 13.218 362 HE3 LYS 55 HE3 LYS 55 4.862 -5.747 14.778 363 HZ1 LYS 55 HZ1 LYS 55 3.107 -3.790 13.384 364 HZ2 LYS 55 HZ2 LYS 55 3.876 -3.534 14.872 365 HZ3 LYS 55 HZ3 LYS 55 2.681 -4.725 14.733 366 H GLY 56 H GLY 56 3.808 -2.368 8.719 367 HA2 GLY 56 HA1 GLY 56 1.841 -1.285 9.555 368 HA3 GLY 56 HA2 GLY 56 2.872 -0.232 10.512 369 H ALA 57 H ALA 57 4.274 -0.550 7.545 370 HA ALA 57 HA ALA 57 3.104 1.997 6.661 371 HB1 ALA 57 HB1 ALA 57 5.138 2.334 5.395 372 HB2 ALA 57 HB2 ALA 57 5.518 2.008 7.086 373 HB3 ALA 57 HB3 ALA 57 5.729 0.741 5.874 374 H ILE 58 H ILE 58 4.141 1.796 3.983 375 HA ILE 58 HA ILE 58 2.622 -0.431 2.848 376 HB ILE 58 HB ILE 58 2.255 2.327 1.696 377 HG12 ILE 58 2HG1 ILE 58 -0.105 2.087 2.847 378 HG13 ILE 58 3HG1 ILE 58 0.783 1.105 4.004 379 HG21 ILE 58 2HG2 ILE 58 1.676 0.499 0.247 380 HG22 ILE 58 1HG2 ILE 58 0.198 1.299 0.776 381 HG23 ILE 58 3HG2 ILE 58 0.679 -0.235 1.503 382 HD11 ILE 58 3HD1 ILE 58 0.591 3.391 4.776 383 HD12 ILE 58 2HD1 ILE 58 1.355 3.976 3.299 384 HD13 ILE 58 1HD1 ILE 58 2.276 2.998 4.441 385 H LEU 59 H LEU 59 2.961 -0.430 0.369 386 HA LEU 59 HA LEU 59 5.732 0.372 -0.262 387 HB2 LEU 59 HB2 LEU 59 5.057 -2.142 0.002 388 HB3 LEU 59 HB3 LEU 59 4.322 -1.928 -1.573 389 HG LEU 59 HG LEU 59 6.657 -1.060 -2.274 390 HD11 LEU 59 2HD1 LEU 59 7.341 -2.612 0.210 391 HD12 LEU 59 1HD1 LEU 59 7.582 -0.883 -0.045 392 HD13 LEU 59 3HD1 LEU 59 8.490 -2.051 -1.001 393 HD21 LEU 59 3HD2 LEU 59 5.649 -3.098 -3.108 394 HD22 LEU 59 2HD2 LEU 59 6.168 -3.963 -1.660 395 HD23 LEU 59 1HD2 LEU 59 7.368 -3.333 -2.788 396 H GLN 60 H GLN 60 6.099 0.680 -2.638 397 HA GLN 60 HA GLN 60 3.757 1.209 -4.269 398 HB2 GLN 60 HB2 GLN 60 3.748 3.369 -3.543 399 HB3 GLN 60 HB3 GLN 60 5.426 3.323 -3.034 400 HG2 GLN 60 HG2 GLN 60 5.261 4.908 -4.767 401 HG3 GLN 60 HG3 GLN 60 6.080 3.499 -5.444 402 HE21 GLN 60 1HE2 GLN 60 2.651 3.671 -4.849 403 HE22 GLN 60 2HE2 GLN 60 2.159 3.718 -6.502 404 H SER 61 H SER 61 4.109 0.523 -6.205 405 HA SER 61 HA SER 61 6.837 0.605 -7.307 406 HB2 SER 61 HB2 SER 61 4.805 -1.528 -7.977 407 HB3 SER 61 HB3 SER 61 6.542 -1.535 -8.290 408 HG SER 61 HG SER 61 6.187 -1.233 -5.684 409 H SER 62 H SER 62 6.834 2.049 -8.925 410 HA SER 62 HA SER 62 4.447 2.973 -10.142 411 HB2 SER 62 HB2 SER 62 7.305 3.401 -11.040 412 HB3 SER 62 HB3 SER 62 5.903 4.372 -11.493 413 HG SER 62 HG SER 62 5.760 4.500 -8.984 414 H GLU 63 H GLU 63 3.409 1.259 -11.094 415 HA GLU 63 HA GLU 63 4.775 -0.088 -13.302 416 HB2 GLU 63 HB2 GLU 63 2.152 -0.764 -11.955 417 HB3 GLU 63 HB3 GLU 63 2.891 -1.677 -13.263 418 HG2 GLU 63 HG2 GLU 63 4.883 -1.996 -11.747 419 HG3 GLU 63 HG3 GLU 63 3.880 -1.355 -10.447 420 H GLY 64 H GLY 64 3.736 -0.325 -15.313 421 HA2 GLY 64 HA1 GLY 64 2.897 1.998 -16.512 422 HA3 GLY 64 HA2 GLY 64 2.631 0.401 -17.174 423 HA PRO 65 HA PRO 65 -1.701 0.418 -16.653 424 HB2 PRO 65 HB2 PRO 65 -2.493 -0.976 -14.405 425 HB3 PRO 65 HB3 PRO 65 -2.072 -1.712 -15.956 426 HG2 PRO 65 HG2 PRO 65 -0.414 -1.393 -13.493 427 HG3 PRO 65 HG3 PRO 65 -0.515 -2.767 -14.608 428 HD2 PRO 65 HD2 PRO 65 1.542 -1.043 -14.679 429 HD3 PRO 65 HD3 PRO 65 0.886 -1.766 -16.165 430 H PHE 66 H PHE 66 -0.855 0.552 -13.176 431 HA PHE 66 HA PHE 66 -1.775 3.261 -12.943 432 HB2 PHE 66 HB2 PHE 66 -3.690 2.888 -11.555 433 HB3 PHE 66 HB3 PHE 66 -3.904 1.882 -12.983 434 HD1 PHE 66 HD1 PHE 66 -2.853 -0.563 -12.692 435 HD2 PHE 66 HD2 PHE 66 -4.184 1.957 -9.537 436 HE1 PHE 66 HE1 PHE 66 -3.131 -2.536 -11.248 437 HE2 PHE 66 HE2 PHE 66 -4.463 -0.009 -8.080 438 HZ PHE 66 HZ PHE 66 -3.935 -2.256 -8.934 439 H GLY 67 H GLY 67 0.550 1.483 -12.317 440 HA2 GLY 67 HA1 GLY 67 2.176 1.547 -10.674 441 HA3 GLY 67 HA2 GLY 67 1.102 2.543 -9.705 442 H HIS 68 H HIS 68 1.781 1.312 -7.874 443 HA HIS 68 HA HIS 68 0.114 -0.964 -7.335 444 HB2 HIS 68 HB2 HIS 68 2.293 -1.697 -8.679 445 HB3 HIS 68 HB3 HIS 68 3.030 -1.532 -7.080 446 HD1 HIS 68 HD1 HIS 68 1.564 -3.994 -9.154 447 HD2 HIS 68 HD2 HIS 68 1.370 -3.126 -5.089 448 HE1 HIS 68 HE1 HIS 68 0.733 -6.104 -8.039 449 HE2 HIS 68 HE2 HIS 68 0.565 -5.530 -5.577 450 H VAL 69 H VAL 69 -0.462 -0.489 -5.226 451 HA VAL 69 HA VAL 69 1.809 -0.021 -3.422 452 HB VAL 69 HB VAL 69 0.305 1.254 -1.937 453 HG11 VAL 69 2HG1 VAL 69 0.284 3.289 -3.312 454 HG12 VAL 69 1HG1 VAL 69 0.581 2.310 -4.748 455 HG13 VAL 69 3HG1 VAL 69 1.800 2.398 -3.475 456 HG21 VAL 69 3HG2 VAL 69 -1.622 1.100 -4.252 457 HG22 VAL 69 2HG2 VAL 69 -1.813 2.107 -2.815 458 HG23 VAL 69 1HG2 VAL 69 -1.834 0.350 -2.669 459 H ALA 70 H ALA 70 1.995 -1.301 -1.708 460 HA ALA 70 HA ALA 70 -0.192 -3.153 -1.053 461 HB1 ALA 70 HB1 ALA 70 1.362 -4.330 -2.525 462 HB2 ALA 70 HB2 ALA 70 2.697 -3.933 -1.443 463 HB3 ALA 70 HB3 ALA 70 1.404 -4.998 -0.894 464 H TYR 71 H TYR 71 -0.502 -3.406 1.096 465 HA TYR 71 HA TYR 71 0.815 -1.557 2.820 466 HB2 TYR 71 HB2 TYR 71 -1.539 -1.977 3.087 467 HB3 TYR 71 HB3 TYR 71 -1.257 -3.701 3.324 468 HD1 TYR 71 HD2 TYR 71 -0.861 -0.361 4.853 469 HD2 TYR 71 HD1 TYR 71 -0.710 -4.569 5.461 470 HE1 TYR 71 HE2 TYR 71 -0.793 0.000 7.283 471 HE2 TYR 71 HE1 TYR 71 -0.637 -4.219 7.897 472 HH TYR 71 HH TYR 71 -0.120 -2.554 9.515 473 H VAL 72 H VAL 72 2.483 -1.866 4.160 474 HA VAL 72 HA VAL 72 3.767 -4.493 4.167 475 HB VAL 72 HB VAL 72 4.806 -1.903 5.323 476 HG11 VAL 72 2HG1 VAL 72 6.171 -4.491 4.600 477 HG12 VAL 72 1HG1 VAL 72 5.922 -3.834 6.222 478 HG13 VAL 72 3HG1 VAL 72 7.002 -3.014 5.092 479 HG21 VAL 72 3HG2 VAL 72 4.375 -1.593 2.950 480 HG22 VAL 72 2HG2 VAL 72 5.293 -3.054 2.578 481 HG23 VAL 72 1HG2 VAL 72 6.110 -1.651 3.270 482 H GLU 73 H GLU 73 3.180 -5.832 5.768 483 HA GLU 73 HA GLU 73 2.139 -4.749 8.240 484 HB2 GLU 73 HB2 GLU 73 2.506 -7.602 7.319 485 HB3 GLU 73 HB3 GLU 73 1.779 -7.138 8.852 486 HG2 GLU 73 HG2 GLU 73 0.076 -5.843 7.534 487 HG3 GLU 73 HG3 GLU 73 0.737 -6.599 6.086 488 H SER 74 H SER 74 5.187 -5.811 7.071 489 HA SER 74 HA SER 74 6.545 -5.173 9.431 490 HB2 SER 74 HB2 SER 74 7.272 -7.481 10.122 491 HB3 SER 74 HB3 SER 74 5.577 -7.126 10.447 492 HG SER 74 HG SER 74 6.143 -9.227 9.416 493 H VAL 75 H VAL 75 8.832 -5.622 9.353 494 HA VAL 75 HA VAL 75 9.804 -6.530 6.726 495 HB VAL 75 HB VAL 75 10.514 -4.251 7.128 496 HG11 VAL 75 2HG1 VAL 75 10.277 -4.170 9.542 497 HG12 VAL 75 1HG1 VAL 75 11.884 -3.624 9.062 498 HG13 VAL 75 3HG1 VAL 75 11.666 -5.240 9.732 499 HG21 VAL 75 3HG2 VAL 75 12.143 -5.692 6.030 500 HG22 VAL 75 2HG2 VAL 75 12.800 -6.168 7.596 501 HG23 VAL 75 1HG2 VAL 75 12.959 -4.501 7.044 502 H ASN 76 H ASN 76 11.186 -8.257 6.670 503 HA ASN 76 HA ASN 76 11.243 -9.839 9.097 504 HB2 ASN 76 HB2 ASN 76 12.200 -10.512 6.305 505 HB3 ASN 76 HB3 ASN 76 12.089 -11.644 7.648 506 HD21 ASN 76 1HD2 ASN 76 10.780 -11.664 5.032 507 HD22 ASN 76 2HD2 ASN 76 9.079 -11.708 5.349 508 H SER 77 H SER 77 13.173 -10.856 9.885 509 HA SER 77 HA SER 77 15.342 -9.118 10.241 510 HB2 SER 77 HB2 SER 77 15.287 -12.120 10.635 511 HB3 SER 77 HB3 SER 77 16.420 -10.988 11.375 512 HG SER 77 HG SER 77 13.600 -11.073 11.769 513 H ASP 78 H ASP 78 14.656 -11.404 7.759 514 HA ASP 78 HA ASP 78 17.194 -11.878 6.687 515 HB2 ASP 78 HB2 ASP 78 14.526 -11.598 5.279 516 HB3 ASP 78 HB3 ASP 78 15.982 -12.249 4.536 517 H GLY 79 H GLY 79 15.314 -9.013 6.788 518 HA2 GLY 79 HA1 GLY 79 16.258 -6.880 6.229 519 HA3 GLY 79 HA2 GLY 79 17.212 -7.672 4.980 520 H SER 80 H SER 80 14.665 -9.243 4.407 521 HA SER 80 HA SER 80 13.572 -7.351 2.491 522 HB2 SER 80 HB2 SER 80 12.903 -10.284 2.852 523 HB3 SER 80 HB3 SER 80 12.587 -9.279 1.435 524 HG SER 80 HG SER 80 15.191 -9.162 2.012 525 H VAL 81 H VAL 81 11.329 -6.849 2.397 526 HA VAL 81 HA VAL 81 10.080 -7.040 5.045 527 HB VAL 81 HB VAL 81 8.744 -5.148 4.505 528 HG11 VAL 81 2HG1 VAL 81 11.013 -4.620 5.158 529 HG12 VAL 81 1HG1 VAL 81 10.427 -3.439 3.985 530 HG13 VAL 81 3HG1 VAL 81 11.541 -4.708 3.476 531 HG21 VAL 81 3HG2 VAL 81 9.793 -5.337 1.685 532 HG22 VAL 81 2HG2 VAL 81 8.753 -4.061 2.315 533 HG23 VAL 81 1HG2 VAL 81 8.153 -5.716 2.213 534 H THR 82 H THR 82 7.807 -7.434 5.232 535 HA THR 82 HA THR 82 6.810 -9.254 3.147 536 HB THR 82 HB THR 82 6.077 -9.083 6.081 537 HG1 THR 82 HG1 THR 82 7.713 -10.394 6.294 538 HG21 THR 82 3HG2 THR 82 4.796 -11.144 5.677 539 HG22 THR 82 1HG2 THR 82 5.163 -11.031 3.956 540 HG23 THR 82 2HG2 THR 82 4.166 -9.797 4.728 541 H ILE 83 H ILE 83 5.484 -8.183 1.815 542 HA ILE 83 HA ILE 83 3.731 -6.125 2.920 543 HB ILE 83 HB ILE 83 3.227 -5.536 0.570 544 HG12 ILE 83 2HG1 ILE 83 5.150 -6.535 -1.020 545 HG13 ILE 83 3HG1 ILE 83 4.919 -7.921 0.041 546 HG21 ILE 83 2HG2 ILE 83 6.151 -5.575 1.287 547 HG22 ILE 83 1HG2 ILE 83 4.967 -4.355 1.759 548 HG23 ILE 83 3HG2 ILE 83 5.412 -4.543 0.063 549 HD11 ILE 83 3HD1 ILE 83 3.561 -8.110 -1.957 550 HD12 ILE 83 2HD1 ILE 83 2.783 -6.569 -1.593 551 HD13 ILE 83 1HD1 ILE 83 2.543 -7.951 -0.524 552 H SER 84 H SER 84 1.538 -6.178 2.737 553 HA SER 84 HA SER 84 0.318 -8.638 1.714 554 HB2 SER 84 HB2 SER 84 -0.367 -7.274 4.329 555 HB3 SER 84 HB3 SER 84 -1.203 -8.667 3.645 556 HG SER 84 HG SER 84 0.605 -8.936 5.302 557 H GLU 85 H GLU 85 -0.817 -7.975 0.066 558 HA GLU 85 HA GLU 85 -2.667 -5.704 0.410 559 HB2 GLU 85 HB2 GLU 85 -2.367 -5.136 -1.934 560 HB3 GLU 85 HB3 GLU 85 -0.784 -5.167 -1.167 561 HG2 GLU 85 HG2 GLU 85 -0.347 -7.362 -2.076 562 HG3 GLU 85 HG3 GLU 85 -1.964 -7.421 -2.772 563 H MET 86 H MET 86 -4.681 -6.018 -0.858 564 HA MET 86 HA MET 86 -5.027 -8.762 -1.827 565 HB2 MET 86 HB2 MET 86 -6.722 -7.801 -0.164 566 HB3 MET 86 HB3 MET 86 -7.238 -6.753 -1.474 567 HG2 MET 86 HG2 MET 86 -8.681 -8.467 -1.821 568 HG3 MET 86 HG3 MET 86 -7.331 -9.036 -2.793 569 HE1 MET 86 HE1 MET 86 -8.209 -10.573 1.467 570 HE2 MET 86 HE2 MET 86 -7.588 -8.958 1.133 571 HE3 MET 86 HE3 MET 86 -9.225 -9.391 0.640 572 H ASN 87 H ASN 87 -4.808 -8.963 -3.946 573 HA ASN 87 HA ASN 87 -4.693 -6.578 -5.563 574 HB2 ASN 87 HB2 ASN 87 -3.017 -8.339 -5.932 575 HB3 ASN 87 HB3 ASN 87 -4.316 -9.473 -6.315 576 HD21 ASN 87 1HD2 ASN 87 -4.373 -6.141 -7.358 577 HD22 ASN 87 2HD2 ASN 87 -4.210 -6.477 -9.037 578 H TYR 88 H TYR 88 -6.810 -5.831 -5.825 579 HA TYR 88 HA TYR 88 -8.664 -7.685 -7.084 580 HB2 TYR 88 HB2 TYR 88 -9.370 -5.890 -5.425 581 HB3 TYR 88 HB3 TYR 88 -9.085 -4.725 -6.713 582 HD1 TYR 88 HD1 TYR 88 -11.199 -7.501 -5.586 583 HD2 TYR 88 HD2 TYR 88 -10.622 -4.516 -8.559 584 HE1 TYR 88 HE1 TYR 88 -13.490 -7.875 -6.397 585 HE2 TYR 88 HE2 TYR 88 -12.910 -4.885 -9.382 586 HH TYR 88 HH TYR 88 -14.638 -6.547 -9.359 587 H SER 89 H SER 89 -6.926 -4.702 -7.964 588 HA SER 89 HA SER 89 -7.732 -4.931 -10.714 589 HB2 SER 89 HB2 SER 89 -5.598 -3.169 -9.486 590 HB3 SER 89 HB3 SER 89 -6.336 -2.973 -11.079 591 HG SER 89 HG SER 89 -8.187 -2.313 -10.175 592 H GLY 90 H GLY 90 -7.049 -6.945 -11.329 593 HA2 GLY 90 HA1 GLY 90 -4.836 -7.543 -12.652 594 HA3 GLY 90 HA2 GLY 90 -4.259 -7.723 -10.997 595 H GLY 91 H GLY 91 -4.934 -9.463 -9.759 596 HA2 GLY 91 HA1 GLY 91 -6.938 -11.257 -11.005 597 HA3 GLY 91 HA2 GLY 91 -5.577 -11.847 -10.052 598 HA PRO 92 HA PRO 92 -8.733 -8.958 -7.469 599 HB2 PRO 92 HB2 PRO 92 -11.066 -10.601 -8.387 600 HB3 PRO 92 HB3 PRO 92 -11.009 -8.902 -7.878 601 HG2 PRO 92 HG2 PRO 92 -11.081 -9.481 -10.452 602 HG3 PRO 92 HG3 PRO 92 -9.998 -8.205 -9.858 603 HD2 PRO 92 HD2 PRO 92 -9.351 -10.994 -10.735 604 HD3 PRO 92 HD3 PRO 92 -8.419 -9.497 -10.948 605 H PHE 93 H PHE 93 -8.648 -9.385 -5.486 606 HA PHE 93 HA PHE 93 -8.724 -10.324 -3.459 607 HB2 PHE 93 HB2 PHE 93 -10.171 -12.584 -4.818 608 HB3 PHE 93 HB3 PHE 93 -9.818 -12.517 -3.088 609 HD1 PHE 93 HD1 PHE 93 -10.827 -10.736 -1.697 610 HD2 PHE 93 HD2 PHE 93 -11.964 -11.338 -5.752 611 HE1 PHE 93 HE1 PHE 93 -12.870 -9.421 -1.314 612 HE2 PHE 93 HE2 PHE 93 -14.006 -10.020 -5.379 613 HZ PHE 93 HZ PHE 93 -14.465 -9.060 -3.160 614 H SER 94 H SER 94 -6.770 -11.210 -5.839 615 HA SER 94 HA SER 94 -5.350 -13.307 -4.508 616 HB2 SER 94 HB2 SER 94 -4.550 -11.278 -6.591 617 HB3 SER 94 HB3 SER 94 -3.350 -12.336 -5.847 618 HG SER 94 HG SER 94 -5.720 -13.351 -7.035 619 H VAL 95 H VAL 95 -5.439 -12.565 -2.307 620 HA VAL 95 HA VAL 95 -4.251 -10.139 -1.555 621 HB VAL 95 HB VAL 95 -5.587 -11.016 0.122 622 HG11 VAL 95 2HG1 VAL 95 -5.398 -13.267 1.032 623 HG12 VAL 95 1HG1 VAL 95 -4.118 -13.620 -0.130 624 HG13 VAL 95 3HG1 VAL 95 -5.751 -13.263 -0.696 625 HG21 VAL 95 3HG2 VAL 95 -2.770 -11.685 0.966 626 HG22 VAL 95 2HG2 VAL 95 -4.139 -11.456 2.054 627 HG23 VAL 95 1HG2 VAL 95 -3.551 -10.108 1.081 628 H SER 96 H SER 96 -2.331 -9.704 -2.326 629 HA SER 96 HA SER 96 -0.419 -11.771 -2.875 630 HB2 SER 96 HB2 SER 96 -0.767 -10.071 -4.548 631 HB3 SER 96 HB3 SER 96 -0.427 -8.790 -3.389 632 HG SER 96 HG SER 96 1.543 -8.960 -4.055 633 H SER 97 H SER 97 1.411 -12.171 -1.900 634 HA SER 97 HA SER 97 2.417 -10.302 0.128 635 HB2 SER 97 HB2 SER 97 2.143 -13.290 0.549 636 HB3 SER 97 HB3 SER 97 2.907 -12.160 1.666 637 HG SER 97 HG SER 97 0.661 -11.068 1.360 638 H ARG 98 H ARG 98 4.025 -9.672 -1.281 639 HA ARG 98 HA ARG 98 5.856 -11.729 -2.266 640 HB2 ARG 98 HB2 ARG 98 5.046 -10.005 -3.867 641 HB3 ARG 98 HB3 ARG 98 5.804 -8.764 -2.878 642 HG2 ARG 98 HG2 ARG 98 7.986 -9.919 -3.246 643 HG3 ARG 98 HG3 ARG 98 7.164 -10.973 -4.393 644 HD2 ARG 98 HD2 ARG 98 6.617 -9.095 -5.798 645 HD3 ARG 98 HD3 ARG 98 7.275 -7.968 -4.607 646 HE ARG 98 HE ARG 98 8.988 -10.013 -5.864 647 HH11 ARG 98 2HH1 ARG 98 8.236 -6.631 -5.302 648 HH12 ARG 98 1HH1 ARG 98 9.804 -6.070 -5.785 649 HH21 ARG 98 2HH2 ARG 98 11.046 -9.273 -6.472 650 HH22 ARG 98 1HH2 ARG 98 11.426 -7.575 -6.401 651 H THR 99 H THR 99 8.116 -11.590 -1.863 652 HA THR 99 HA THR 99 8.759 -10.307 0.681 653 HB THR 99 HB THR 99 10.432 -12.242 -0.940 654 HG1 THR 99 HG1 THR 99 8.172 -12.695 0.378 655 HG21 THR 99 3HG2 THR 99 11.692 -10.936 0.709 656 HG22 THR 99 1HG2 THR 99 11.585 -12.631 1.183 657 HG23 THR 99 2HG2 THR 99 10.558 -11.431 1.968 658 H ILE 100 H ILE 100 9.319 -8.235 0.387 659 HA ILE 100 HA ILE 100 10.564 -7.359 -2.069 660 HB ILE 100 HB ILE 100 9.956 -5.772 0.429 661 HG12 ILE 100 2HG1 ILE 100 7.897 -6.644 -0.483 662 HG13 ILE 100 3HG1 ILE 100 8.005 -4.926 -0.862 663 HG21 ILE 100 2HG2 ILE 100 11.656 -4.709 -0.925 664 HG22 ILE 100 1HG2 ILE 100 10.144 -3.810 -1.030 665 HG23 ILE 100 3HG2 ILE 100 10.640 -4.856 -2.360 666 HD11 ILE 100 3HD1 ILE 100 8.607 -7.193 -2.748 667 HD12 ILE 100 2HD1 ILE 100 8.716 -5.475 -3.130 668 HD13 ILE 100 1HD1 ILE 100 7.152 -6.196 -2.747 669 H SER 101 H SER 101 12.672 -7.590 -2.372 670 HA SER 101 HA SER 101 14.594 -8.055 -0.388 671 HB2 SER 101 HB2 SER 101 15.087 -6.786 -3.088 672 HB3 SER 101 HB3 SER 101 16.219 -7.742 -2.132 673 HG SER 101 HG SER 101 14.047 -8.555 -3.688 674 H ALA 102 H ALA 102 16.161 -6.702 0.561 675 HA ALA 102 HA ALA 102 15.357 -4.207 1.456 676 HB1 ALA 102 HB1 ALA 102 17.612 -3.941 2.312 677 HB2 ALA 102 HB2 ALA 102 17.037 -5.589 2.575 678 HB3 ALA 102 HB3 ALA 102 18.176 -5.250 1.272 679 H SER 103 H SER 103 17.327 -5.034 -1.347 680 HA SER 103 HA SER 103 18.173 -2.431 -2.001 681 HB2 SER 103 HB2 SER 103 19.143 -4.486 -2.991 682 HB3 SER 103 HB3 SER 103 17.638 -4.764 -3.867 683 HG SER 103 HG SER 103 18.075 -3.128 -5.197 684 H GLU 104 H GLU 104 15.270 -4.252 -2.836 685 HA GLU 104 HA GLU 104 14.197 -2.204 -4.542 686 HB2 GLU 104 HB2 GLU 104 12.806 -4.567 -3.261 687 HB3 GLU 104 HB3 GLU 104 12.207 -3.614 -4.612 688 HG2 GLU 104 HG2 GLU 104 13.963 -4.408 -6.033 689 HG3 GLU 104 HG3 GLU 104 14.739 -5.237 -4.682 690 H ALA 105 H ALA 105 13.987 -3.138 -1.197 691 HA ALA 105 HA ALA 105 11.790 -1.631 -0.370 692 HB1 ALA 105 HB1 ALA 105 14.313 -2.208 1.186 693 HB2 ALA 105 HB2 ALA 105 12.757 -1.731 1.863 694 HB3 ALA 105 HB3 ALA 105 12.925 -3.289 1.052 695 H GLY 106 H GLY 106 15.217 -0.731 -0.643 696 HA2 GLY 106 HA1 GLY 106 14.720 2.021 0.069 697 HA3 GLY 106 HA2 GLY 106 16.229 1.354 -0.541 698 H ASN 107 H ASN 107 13.068 1.139 -2.051 699 HA ASN 107 HA ASN 107 13.804 3.071 -4.105 700 HB2 ASN 107 HB2 ASN 107 14.669 1.042 -5.069 701 HB3 ASN 107 HB3 ASN 107 13.207 0.156 -4.657 702 HD21 ASN 107 1HD2 ASN 107 11.388 0.376 -5.935 703 HD22 ASN 107 2HD2 ASN 107 11.422 1.144 -7.483 704 H TYR 108 H TYR 108 11.411 0.657 -3.071 705 HA TYR 108 HA TYR 108 9.190 1.934 -4.283 706 HB2 TYR 108 HB2 TYR 108 9.262 0.008 -1.952 707 HB3 TYR 108 HB3 TYR 108 7.828 0.444 -2.870 708 HD1 TYR 108 HD1 TYR 108 8.654 0.258 -5.646 709 HD2 TYR 108 HD2 TYR 108 9.752 -2.195 -2.355 710 HE1 TYR 108 HE1 TYR 108 9.062 -1.616 -7.182 711 HE2 TYR 108 HE2 TYR 108 10.162 -4.068 -3.876 712 HH TYR 108 HH TYR 108 10.311 -3.695 -7.278 713 H ASN 109 H ASN 109 7.976 3.602 -3.621 714 HA ASN 109 HA ASN 109 8.934 5.109 -1.332 715 HB2 ASN 109 HB2 ASN 109 6.715 5.918 -3.222 716 HB3 ASN 109 HB3 ASN 109 7.697 6.967 -2.200 717 HD21 ASN 109 1HD2 ASN 109 9.722 7.590 -2.889 718 HD22 ASN 109 2HD2 ASN 109 10.312 7.264 -4.486 719 H TYR 110 H TYR 110 8.019 4.958 0.636 720 HA TYR 110 HA TYR 110 5.218 4.108 0.773 721 HB2 TYR 110 HB2 TYR 110 5.614 3.291 2.979 722 HB3 TYR 110 HB3 TYR 110 6.902 2.676 1.959 723 HD1 TYR 110 HD1 TYR 110 8.363 5.544 2.098 724 HD2 TYR 110 HD2 TYR 110 6.917 2.750 4.948 725 HE1 TYR 110 HE1 TYR 110 10.002 6.365 3.728 726 HE2 TYR 110 HE2 TYR 110 8.545 3.570 6.590 727 HH TYR 110 HH TYR 110 10.734 4.726 6.595 728 H ILE 111 H ILE 111 3.823 5.223 2.340 729 HA ILE 111 HA ILE 111 4.687 8.015 2.560 730 HB ILE 111 HB ILE 111 2.334 8.670 2.391 731 HG12 ILE 111 2HG1 ILE 111 1.843 5.717 1.918 732 HG13 ILE 111 3HG1 ILE 111 1.242 6.661 3.272 733 HG21 ILE 111 2HG2 ILE 111 2.085 8.121 0.007 734 HG22 ILE 111 1HG2 ILE 111 3.320 6.874 0.176 735 HG23 ILE 111 3HG2 ILE 111 3.741 8.570 0.411 736 HD11 ILE 111 3HD1 ILE 111 -0.502 6.285 1.643 737 HD12 ILE 111 2HD1 ILE 111 0.489 7.025 0.383 738 HD13 ILE 111 1HD1 ILE 111 -0.103 8.000 1.733 739 H HIS 112 H HIS 112 5.014 8.778 4.456 740 HA HIS 112 HA HIS 112 4.235 7.209 6.796 741 HB2 HIS 112 HB2 HIS 112 6.559 8.641 5.995 742 HB3 HIS 112 HB3 HIS 112 5.929 9.410 7.446 743 HD1 HIS 112 HD1 HIS 112 6.118 8.110 9.642 744 HD2 HIS 112 HD2 HIS 112 7.531 6.036 6.323 745 HE1 HIS 112 HE1 HIS 112 7.352 6.131 10.566 746 HE2 HIS 112 HE2 HIS 112 8.403 5.044 8.556 747 H ILE 113 H ILE 113 3.092 8.021 8.483 748 HA ILE 113 HA ILE 113 1.695 10.536 8.135 749 HB ILE 113 HB ILE 113 1.607 8.723 10.552 750 HG12 ILE 113 2HG1 ILE 113 -0.201 8.595 8.131 751 HG13 ILE 113 3HG1 ILE 113 1.120 7.472 8.437 752 HG21 ILE 113 2HG2 ILE 113 0.631 10.910 10.891 753 HG22 ILE 113 1HG2 ILE 113 -0.648 9.696 10.815 754 HG23 ILE 113 3HG2 ILE 113 -0.336 10.735 9.425 755 HD11 ILE 113 3HD1 ILE 113 0.031 6.753 10.496 756 HD12 ILE 113 2HD1 ILE 113 -1.013 6.524 9.093 757 HD13 ILE 113 1HD1 ILE 113 -1.292 7.878 10.190 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 -16.913 -4.387 8.999 2 H2 GLY 1 H2 GLY 1 -16.671 -6.026 8.636 3 H3 GLY 1 H3 GLY 1 -18.130 -5.522 9.335 4 HA2 GLY 1 HA2 GLY 1 -18.641 -4.221 7.350 5 HA3 GLY 1 HA1 GLY 1 -17.147 -4.806 6.629 6 H SER 2 H SER 2 -20.410 -5.570 7.502 7 HA SER 2 HA SER 2 -20.159 -8.290 6.452 8 HB2 SER 2 HB2 SER 2 -22.554 -6.907 7.694 9 HB3 SER 2 HB3 SER 2 -22.411 -8.629 7.326 10 HG SER 2 HG SER 2 -20.731 -8.766 8.854 11 H SER 3 H SER 3 -21.347 -5.152 5.653 12 HA SER 3 HA SER 3 -21.709 -5.998 2.918 13 HB2 SER 3 HB2 SER 3 -23.967 -6.253 4.147 14 HB3 SER 3 HB3 SER 3 -23.986 -4.490 4.203 15 HG SER 3 HG SER 3 -23.931 -6.168 1.911 16 H ILE 4 H ILE 4 -22.212 -3.931 1.553 17 HA ILE 4 HA ILE 4 -20.362 -1.919 2.624 18 HB ILE 4 HB ILE 4 -21.047 -2.429 -0.274 19 HG12 ILE 4 2HG1 ILE 4 -18.576 -3.218 1.292 20 HG13 ILE 4 3HG1 ILE 4 -19.853 -4.327 0.807 21 HG21 ILE 4 2HG2 ILE 4 -20.327 -0.147 0.145 22 HG22 ILE 4 1HG2 ILE 4 -19.065 -1.032 -0.712 23 HG23 ILE 4 3HG2 ILE 4 -18.911 -0.732 1.019 24 HD11 ILE 4 3HD1 ILE 4 -19.351 -3.858 -1.541 25 HD12 ILE 4 2HD1 ILE 4 -17.956 -4.502 -0.677 26 HD13 ILE 4 1HD1 ILE 4 -18.052 -2.780 -1.036 27 H SER 5 H SER 5 -21.722 -0.542 3.672 28 HA SER 5 HA SER 5 -23.331 1.137 1.872 29 HB2 SER 5 HB2 SER 5 -24.802 -0.195 3.410 30 HB3 SER 5 HB3 SER 5 -23.993 0.571 4.777 31 HG SER 5 HG SER 5 -25.397 1.946 2.717 32 H HIS 6 H HIS 6 -21.451 0.854 4.832 33 HA HIS 6 HA HIS 6 -20.063 3.305 4.160 34 HB2 HIS 6 HB2 HIS 6 -21.884 4.072 5.669 35 HB3 HIS 6 HB3 HIS 6 -21.322 2.941 6.893 36 HD1 HIS 6 HD1 HIS 6 -19.415 3.675 8.375 37 HD2 HIS 6 HD2 HIS 6 -20.078 6.260 5.180 38 HE1 HIS 6 HE1 HIS 6 -17.959 5.678 8.808 39 HE2 HIS 6 HE2 HIS 6 -18.516 7.304 6.964 40 H SER 7 H SER 7 -18.294 2.027 3.763 41 HA SER 7 HA SER 7 -17.443 0.085 5.745 42 HB2 SER 7 HB2 SER 7 -17.333 -0.401 3.299 43 HB3 SER 7 HB3 SER 7 -16.139 0.884 3.129 44 HG SER 7 HG SER 7 -15.907 -1.554 4.558 45 H GLY 8 H GLY 8 -16.742 3.316 4.745 46 HA2 GLY 8 HA1 GLY 8 -15.432 4.868 5.932 47 HA3 GLY 8 HA2 GLY 8 -14.670 3.532 6.791 48 H ASN 9 H ASN 9 -15.031 3.231 3.410 49 HA ASN 9 HA ASN 9 -12.221 3.959 2.950 50 HB2 ASN 9 HB2 ASN 9 -12.645 1.440 3.397 51 HB3 ASN 9 HB3 ASN 9 -13.411 1.434 1.816 52 HD21 ASN 9 1HD2 ASN 9 -11.499 3.415 0.746 53 HD22 ASN 9 2HD2 ASN 9 -10.028 2.547 0.501 54 H LEU 10 H LEU 10 -11.969 5.118 1.163 55 HA LEU 10 HA LEU 10 -14.230 5.985 -0.300 56 HB2 LEU 10 HB2 LEU 10 -11.299 6.397 -0.859 57 HB3 LEU 10 HB3 LEU 10 -12.608 7.283 -1.615 58 HG LEU 10 HG LEU 10 -11.898 7.358 1.317 59 HD11 LEU 10 2HD1 LEU 10 -10.288 8.507 -0.112 60 HD12 LEU 10 1HD1 LEU 10 -11.218 9.647 0.860 61 HD13 LEU 10 3HD1 LEU 10 -11.599 9.431 -0.848 62 HD21 LEU 10 3HD2 LEU 10 -13.568 9.153 1.448 63 HD22 LEU 10 2HD2 LEU 10 -14.296 7.616 0.984 64 HD23 LEU 10 1HD2 LEU 10 -14.009 8.857 -0.235 65 H TYR 11 H TYR 11 -12.074 3.348 -0.834 66 HA TYR 11 HA TYR 11 -12.306 3.482 -3.713 67 HB2 TYR 11 HB2 TYR 11 -10.351 2.544 -1.994 68 HB3 TYR 11 HB3 TYR 11 -11.056 1.074 -2.662 69 HD1 TYR 11 HD2 TYR 11 -9.932 4.434 -3.836 70 HD2 TYR 11 HD1 TYR 11 -10.129 0.259 -4.614 71 HE1 TYR 11 HE2 TYR 11 -8.626 4.765 -5.890 72 HE2 TYR 11 HE1 TYR 11 -8.827 0.578 -6.679 73 HH TYR 11 HH TYR 11 -8.190 2.232 -8.222 74 H THR 12 H THR 12 -12.434 1.016 -4.618 75 HA THR 12 HA THR 12 -15.175 0.555 -4.739 76 HB THR 12 HB THR 12 -13.135 -1.526 -5.475 77 HG1 THR 12 HG1 THR 12 -13.540 1.053 -6.589 78 HG21 THR 12 3HG2 THR 12 -15.494 -2.039 -5.897 79 HG22 THR 12 1HG2 THR 12 -14.593 -1.856 -7.403 80 HG23 THR 12 2HG2 THR 12 -15.649 -0.557 -6.840 81 H ALA 13 H ALA 13 -13.203 -2.268 -4.095 82 HA ALA 13 HA ALA 13 -14.003 -2.805 -1.466 83 HB1 ALA 13 HB1 ALA 13 -15.652 -4.203 -3.575 84 HB2 ALA 13 HB2 ALA 13 -15.668 -4.563 -1.848 85 HB3 ALA 13 HB3 ALA 13 -16.242 -3.000 -2.428 86 H GLY 14 H GLY 14 -12.230 -3.886 -0.903 87 HA2 GLY 14 HA1 GLY 14 -10.681 -5.582 -0.800 88 HA3 GLY 14 HA2 GLY 14 -11.661 -6.460 -1.965 89 H GLN 15 H GLN 15 -10.504 -3.283 -2.702 90 HA GLN 15 HA GLN 15 -8.981 -4.361 -4.927 91 HB2 GLN 15 HB2 GLN 15 -9.379 -1.457 -4.186 92 HB3 GLN 15 HB3 GLN 15 -8.891 -2.104 -5.745 93 HG2 GLN 15 HG2 GLN 15 -11.566 -2.604 -4.470 94 HG3 GLN 15 HG3 GLN 15 -11.243 -1.328 -5.639 95 HE21 GLN 15 1HE2 GLN 15 -9.486 -2.853 -7.295 96 HE22 GLN 15 2HE2 GLN 15 -10.448 -4.035 -8.111 97 H CYS 16 H CYS 16 -6.874 -2.838 -5.349 98 HA CYS 16 HA CYS 16 -5.000 -3.826 -3.501 99 HB2 CYS 16 HB2 CYS 16 -3.400 -2.268 -4.754 100 HB3 CYS 16 HB3 CYS 16 -4.223 -3.508 -5.695 101 HG CYS 16 HG CYS 16 -4.988 -1.845 -7.485 102 H THR 17 H THR 17 -5.861 -0.426 -4.160 103 HA THR 17 HA THR 17 -4.480 0.535 -1.856 104 HB THR 17 HB THR 17 -5.615 2.694 -2.395 105 HG1 THR 17 HG1 THR 17 -6.650 2.366 -4.689 106 HG21 THR 17 3HG2 THR 17 -4.344 1.283 -4.741 107 HG22 THR 17 1HG2 THR 17 -3.493 2.154 -3.464 108 HG23 THR 17 2HG2 THR 17 -4.543 3.027 -4.578 109 H TRP 18 H TRP 18 -7.614 -0.726 -2.439 110 HA TRP 18 HA TRP 18 -9.043 0.499 -0.335 111 HB2 TRP 18 HB2 TRP 18 -10.026 -0.770 -2.280 112 HB3 TRP 18 HB3 TRP 18 -9.505 -2.257 -1.498 113 HD1 TRP 18 HD1 TRP 18 -12.190 0.412 -1.374 114 HE1 TRP 18 HE1 TRP 18 -14.029 -0.319 0.272 115 HE3 TRP 18 HE3 TRP 18 -9.845 -3.610 0.751 116 HZ2 TRP 18 HZ2 TRP 18 -14.429 -2.317 2.223 117 HZ3 TRP 18 HZ3 TRP 18 -11.024 -4.869 2.502 118 HH2 TRP 18 HH2 TRP 18 -13.264 -4.238 3.222 119 H TYR 19 H TYR 19 -7.482 -2.699 -0.582 120 HA TYR 19 HA TYR 19 -7.921 -3.514 2.056 121 HB2 TYR 19 HB2 TYR 19 -7.227 -5.097 0.385 122 HB3 TYR 19 HB3 TYR 19 -5.734 -4.215 0.093 123 HD1 TYR 19 HD2 TYR 19 -7.532 -6.060 2.802 124 HD2 TYR 19 HD1 TYR 19 -3.796 -4.890 1.138 125 HE1 TYR 19 HE2 TYR 19 -6.363 -7.487 4.432 126 HE2 TYR 19 HE1 TYR 19 -2.622 -6.312 2.756 127 HH TYR 19 HH TYR 19 -2.867 -7.431 4.736 128 H VAL 20 H VAL 20 -5.256 -1.714 0.618 129 HA VAL 20 HA VAL 20 -3.583 -1.505 2.829 130 HB VAL 20 HB VAL 20 -4.076 0.459 0.589 131 HG11 VAL 20 2HG1 VAL 20 -1.920 1.459 1.196 132 HG12 VAL 20 1HG1 VAL 20 -1.853 0.423 2.623 133 HG13 VAL 20 3HG1 VAL 20 -3.119 1.641 2.475 134 HG21 VAL 20 3HG2 VAL 20 -2.008 -0.462 -0.333 135 HG22 VAL 20 2HG2 VAL 20 -3.232 -1.714 -0.121 136 HG23 VAL 20 1HG2 VAL 20 -1.899 -1.582 1.026 137 H TYR 21 H TYR 21 -6.204 0.676 1.798 138 HA TYR 21 HA TYR 21 -5.857 2.593 3.817 139 HB2 TYR 21 HB2 TYR 21 -7.162 2.801 1.648 140 HB3 TYR 21 HB3 TYR 21 -8.461 1.929 2.447 141 HD1 TYR 21 HD1 TYR 21 -6.283 4.899 2.971 142 HD2 TYR 21 HD2 TYR 21 -10.118 3.147 3.487 143 HE1 TYR 21 HE1 TYR 21 -7.122 7.023 3.862 144 HE2 TYR 21 HE2 TYR 21 -10.973 5.266 4.383 145 HH TYR 21 HH TYR 21 -10.168 7.305 5.409 146 H ASP 22 H ASP 22 -7.921 -0.268 3.633 147 HA ASP 22 HA ASP 22 -9.320 0.090 6.039 148 HB2 ASP 22 HB2 ASP 22 -10.056 -1.534 4.411 149 HB3 ASP 22 HB3 ASP 22 -8.556 -2.437 4.565 150 H LYS 23 H LYS 23 -6.320 -1.657 5.354 151 HA LYS 23 HA LYS 23 -6.015 -2.693 7.969 152 HB2 LYS 23 HB2 LYS 23 -3.983 -2.319 5.770 153 HB3 LYS 23 HB3 LYS 23 -3.689 -3.221 7.251 154 HG2 LYS 23 HG2 LYS 23 -5.821 -3.874 5.226 155 HG3 LYS 23 HG3 LYS 23 -4.250 -4.667 5.348 156 HD2 LYS 23 HD2 LYS 23 -6.193 -4.561 7.642 157 HD3 LYS 23 HD3 LYS 23 -6.213 -5.853 6.440 158 HE2 LYS 23 HE2 LYS 23 -3.932 -6.449 7.000 159 HE3 LYS 23 HE3 LYS 23 -3.836 -5.109 8.141 160 HZ1 LYS 23 HZ1 LYS 23 -5.237 -6.152 9.625 161 HZ2 LYS 23 HZ2 LYS 23 -4.355 -7.467 9.006 162 HZ3 LYS 23 HZ3 LYS 23 -5.926 -7.162 8.448 163 H VAL 24 H VAL 24 -4.952 0.323 6.504 164 HA VAL 24 HA VAL 24 -3.144 0.905 8.682 165 HB VAL 24 HB VAL 24 -2.808 3.086 7.635 166 HG11 VAL 24 2HG1 VAL 24 -2.742 0.783 5.692 167 HG12 VAL 24 1HG1 VAL 24 -1.486 1.220 6.852 168 HG13 VAL 24 3HG1 VAL 24 -1.859 2.300 5.508 169 HG21 VAL 24 3HG2 VAL 24 -4.927 2.196 5.683 170 HG22 VAL 24 2HG2 VAL 24 -3.904 3.622 5.497 171 HG23 VAL 24 1HG2 VAL 24 -5.049 3.527 6.833 172 H GLY 25 H GLY 25 -6.436 0.939 8.463 173 HA2 GLY 25 HA1 GLY 25 -7.763 1.484 10.342 174 HA3 GLY 25 HA2 GLY 25 -6.540 2.640 10.842 175 H GLY 26 H GLY 26 -6.888 3.228 7.671 176 HA2 GLY 26 HA1 GLY 26 -8.182 4.639 6.386 177 HA3 GLY 26 HA2 GLY 26 -9.403 4.600 7.645 178 H GLU 27 H GLU 27 -6.409 5.480 8.937 179 HA GLU 27 HA GLU 27 -7.254 8.227 9.225 180 HB2 GLU 27 HB2 GLU 27 -6.073 6.963 11.038 181 HB3 GLU 27 HB3 GLU 27 -4.629 6.960 10.042 182 HG2 GLU 27 HG2 GLU 27 -4.436 8.689 11.673 183 HG3 GLU 27 HG3 GLU 27 -4.650 9.436 10.090 184 H ILE 28 H ILE 28 -5.116 6.402 7.219 185 HA ILE 28 HA ILE 28 -4.040 8.886 6.089 186 HB ILE 28 HB ILE 28 -2.052 8.103 6.757 187 HG12 ILE 28 2HG1 ILE 28 -2.348 7.424 4.188 188 HG13 ILE 28 3HG1 ILE 28 -0.857 7.117 5.073 189 HG21 ILE 28 2HG2 ILE 28 -1.601 5.780 7.451 190 HG22 ILE 28 1HG2 ILE 28 -3.237 5.343 6.952 191 HG23 ILE 28 3HG2 ILE 28 -2.993 6.493 8.266 192 HD11 ILE 28 3HD1 ILE 28 -1.542 5.201 3.716 193 HD12 ILE 28 2HD1 ILE 28 -3.073 5.120 4.593 194 HD13 ILE 28 1HD1 ILE 28 -1.553 4.805 5.435 195 H GLY 29 H GLY 29 -4.532 9.257 4.023 196 HA2 GLY 29 HA1 GLY 29 -4.036 8.519 1.788 197 HA3 GLY 29 HA2 GLY 29 -4.557 6.914 2.253 198 H SER 30 H SER 30 -6.586 9.484 3.285 199 HA SER 30 HA SER 30 -8.696 8.552 1.585 200 HB2 SER 30 HB2 SER 30 -9.932 10.502 2.704 201 HB3 SER 30 HB3 SER 30 -9.354 9.209 3.756 202 HG SER 30 HG SER 30 -8.835 11.239 4.619 203 H THR 31 H THR 31 -6.694 9.414 -0.103 204 HA THR 31 HA THR 31 -7.880 11.396 -1.699 205 HB THR 31 HB THR 31 -7.291 12.892 0.144 206 HG1 THR 31 HG1 THR 31 -6.088 14.410 -1.097 207 HG21 THR 31 3HG2 THR 31 -5.382 11.644 1.025 208 HG22 THR 31 1HG2 THR 31 -4.963 13.328 0.720 209 HG23 THR 31 2HG2 THR 31 -4.438 12.072 -0.401 210 H TRP 32 H TRP 32 -5.497 9.072 -1.176 211 HA TRP 32 HA TRP 32 -3.397 10.169 -2.739 212 HB2 TRP 32 HB2 TRP 32 -2.295 8.019 -2.545 213 HB3 TRP 32 HB3 TRP 32 -2.956 8.513 -0.992 214 HD1 TRP 32 HD1 TRP 32 -4.828 6.723 -3.826 215 HE1 TRP 32 HE1 TRP 32 -5.756 4.544 -2.945 216 HE3 TRP 32 HE3 TRP 32 -2.737 6.857 0.807 217 HZ2 TRP 32 HZ2 TRP 32 -5.615 3.003 -0.535 218 HZ3 TRP 32 HZ3 TRP 32 -3.172 4.980 2.351 219 HH2 TRP 32 HH2 TRP 32 -4.580 3.097 1.690 220 H GLY 33 H GLY 33 -6.295 8.637 -3.681 221 HA2 GLY 33 HA1 GLY 33 -7.037 8.291 -5.877 222 HA3 GLY 33 HA2 GLY 33 -5.391 8.567 -6.426 223 H ASN 34 H ASN 34 -4.258 6.910 -7.093 224 HA ASN 34 HA ASN 34 -4.956 4.221 -6.161 225 HB2 ASN 34 HB2 ASN 34 -5.916 4.337 -8.332 226 HB3 ASN 34 HB3 ASN 34 -4.555 5.249 -8.955 227 HD21 ASN 34 1HD2 ASN 34 -2.796 4.239 -9.681 228 HD22 ASN 34 2HD2 ASN 34 -2.689 2.519 -9.890 229 H ALA 35 H ALA 35 -3.043 2.704 -6.939 230 HA ALA 35 HA ALA 35 -0.997 3.240 -5.203 231 HB1 ALA 35 HB1 ALA 35 -1.550 1.026 -6.052 232 HB2 ALA 35 HB2 ALA 35 -0.879 1.459 -7.625 233 HB3 ALA 35 HB3 ALA 35 0.172 1.369 -6.212 234 H ASN 36 H ASN 36 -0.920 3.808 -8.742 235 HA ASN 36 HA ASN 36 1.898 4.439 -8.577 236 HB2 ASN 36 HB2 ASN 36 1.879 4.643 -10.962 237 HB3 ASN 36 HB3 ASN 36 0.917 3.233 -10.530 238 HD21 ASN 36 1HD2 ASN 36 0.887 4.787 -12.947 239 HD22 ASN 36 2HD2 ASN 36 -0.723 5.400 -13.125 240 H ASN 37 H ASN 37 -0.801 6.180 -7.883 241 HA ASN 37 HA ASN 37 0.500 8.728 -8.608 242 HB2 ASN 37 HB2 ASN 37 -1.800 8.328 -9.556 243 HB3 ASN 37 HB3 ASN 37 -2.417 8.275 -7.911 244 HD21 ASN 37 1HD2 ASN 37 -2.802 10.154 -6.842 245 HD22 ASN 37 2HD2 ASN 37 -2.587 11.729 -7.542 246 H TRP 38 H TRP 38 0.570 6.682 -6.256 247 HA TRP 38 HA TRP 38 -0.556 7.716 -3.970 248 HB2 TRP 38 HB2 TRP 38 1.451 5.738 -4.615 249 HB3 TRP 38 HB3 TRP 38 1.846 6.590 -3.117 250 HD1 TRP 38 HD1 TRP 38 -1.663 5.556 -4.383 251 HE1 TRP 38 HE1 TRP 38 -2.754 4.140 -2.562 252 HE3 TRP 38 HE3 TRP 38 2.277 5.268 -1.161 253 HZ2 TRP 38 HZ2 TRP 38 -2.029 3.065 0.001 254 HZ3 TRP 38 HZ3 TRP 38 2.008 4.039 0.935 255 HH2 TRP 38 HH2 TRP 38 -0.098 2.956 1.494 256 H ALA 39 H ALA 39 2.896 8.089 -4.816 257 HA ALA 39 HA ALA 39 3.585 9.713 -2.698 258 HB1 ALA 39 HB1 ALA 39 4.780 9.865 -5.457 259 HB2 ALA 39 HB2 ALA 39 5.549 10.323 -3.938 260 HB3 ALA 39 HB3 ALA 39 5.169 8.631 -4.258 261 H ALA 40 H ALA 40 2.211 10.665 -5.796 262 HA ALA 40 HA ALA 40 2.647 13.450 -5.497 263 HB1 ALA 40 HB1 ALA 40 0.626 12.009 -7.204 264 HB2 ALA 40 HB2 ALA 40 1.150 13.683 -7.395 265 HB3 ALA 40 HB3 ALA 40 2.291 12.362 -7.663 266 H ALA 41 H ALA 41 -0.232 11.415 -5.003 267 HA ALA 41 HA ALA 41 -1.829 13.641 -4.154 268 HB1 ALA 41 HB1 ALA 41 -3.543 11.935 -3.687 269 HB2 ALA 41 HB2 ALA 41 -2.860 11.782 -5.306 270 HB3 ALA 41 HB3 ALA 41 -2.359 10.673 -4.029 271 H ALA 42 H ALA 42 -0.080 11.037 -2.557 272 HA ALA 42 HA ALA 42 -1.062 11.379 0.062 273 HB1 ALA 42 HB1 ALA 42 0.182 9.412 -0.600 274 HB2 ALA 42 HB2 ALA 42 1.624 10.388 -0.892 275 HB3 ALA 42 HB3 ALA 42 0.997 10.209 0.745 276 H GLN 43 H GLN 43 1.843 12.734 -1.527 277 HA GLN 43 HA GLN 43 2.710 14.226 0.705 278 HB2 GLN 43 HB2 GLN 43 3.256 14.552 -2.246 279 HB3 GLN 43 HB3 GLN 43 4.032 15.531 -1.008 280 HG2 GLN 43 HG2 GLN 43 5.002 13.541 -0.014 281 HG3 GLN 43 HG3 GLN 43 4.185 12.529 -1.205 282 HE21 GLN 43 1HE2 GLN 43 4.654 14.406 -3.385 283 HE22 GLN 43 2HE2 GLN 43 6.329 14.269 -3.784 284 H GLY 44 H GLY 44 0.328 14.833 -1.743 285 HA2 GLY 44 HA1 GLY 44 0.059 17.630 -1.358 286 HA3 GLY 44 HA2 GLY 44 -1.160 16.562 -2.037 287 H ALA 45 H ALA 45 -1.075 14.868 0.402 288 HA ALA 45 HA ALA 45 -2.953 16.427 1.978 289 HB1 ALA 45 HB1 ALA 45 -2.084 13.554 2.304 290 HB2 ALA 45 HB2 ALA 45 -3.457 14.333 3.092 291 HB3 ALA 45 HB3 ALA 45 -3.459 14.097 1.345 292 H GLY 46 H GLY 46 0.335 15.887 1.964 293 HA2 GLY 46 HA1 GLY 46 1.819 16.900 3.488 294 HA3 GLY 46 HA2 GLY 46 0.553 16.870 4.705 295 H PHE 47 H PHE 47 1.192 13.985 2.868 296 HA PHE 47 HA PHE 47 1.957 12.565 5.247 297 HB2 PHE 47 HB2 PHE 47 1.940 11.700 2.352 298 HB3 PHE 47 HB3 PHE 47 2.331 10.637 3.692 299 HD1 PHE 47 HD2 PHE 47 -0.207 12.853 4.726 300 HD2 PHE 47 HD1 PHE 47 0.484 9.371 2.389 301 HE1 PHE 47 HE2 PHE 47 -2.591 12.262 4.900 302 HE2 PHE 47 HE1 PHE 47 -1.889 8.761 2.553 303 HZ PHE 47 HZ PHE 47 -3.431 10.222 3.807 304 H THR 48 H THR 48 3.940 11.357 5.468 305 HA THR 48 HA THR 48 6.234 12.830 4.397 306 HB THR 48 HB THR 48 6.299 10.774 6.602 307 HG1 THR 48 HG1 THR 48 4.847 12.289 7.365 308 HG21 THR 48 3HG2 THR 48 8.279 12.036 7.307 309 HG22 THR 48 1HG2 THR 48 8.054 13.147 5.955 310 HG23 THR 48 2HG2 THR 48 8.452 11.456 5.650 311 H VAL 49 H VAL 49 7.147 11.973 2.645 312 HA VAL 49 HA VAL 49 7.076 9.043 2.296 313 HB VAL 49 HB VAL 49 7.445 11.152 0.162 314 HG11 VAL 49 2HG1 VAL 49 7.049 9.296 -1.397 315 HG12 VAL 49 1HG1 VAL 49 6.979 8.178 -0.035 316 HG13 VAL 49 3HG1 VAL 49 8.482 9.028 -0.405 317 HG21 VAL 49 3HG2 VAL 49 5.154 10.598 -0.534 318 HG22 VAL 49 2HG2 VAL 49 5.203 11.291 1.088 319 HG23 VAL 49 1HG2 VAL 49 4.989 9.553 0.879 320 H ASN 50 H ASN 50 8.948 8.036 2.597 321 HA ASN 50 HA ASN 50 11.458 9.462 1.970 322 HB2 ASN 50 HB2 ASN 50 11.080 7.466 4.209 323 HB3 ASN 50 HB3 ASN 50 12.533 8.391 3.859 324 HD21 ASN 50 1HD2 ASN 50 10.726 8.157 6.213 325 HD22 ASN 50 2HD2 ASN 50 10.339 9.793 6.628 326 H HIS 51 H HIS 51 9.531 7.192 0.920 327 HA HIS 51 HA HIS 51 9.568 5.051 0.200 328 HB2 HIS 51 HB2 HIS 51 11.253 4.690 -1.645 329 HB3 HIS 51 HB3 HIS 51 10.243 6.115 -1.798 330 HD1 HIS 51 HD1 HIS 51 13.768 5.010 -1.521 331 HD2 HIS 51 HD2 HIS 51 11.626 8.577 -1.514 332 HE1 HIS 51 HE1 HIS 51 15.466 6.826 -1.914 333 HE2 HIS 51 HE2 HIS 51 14.108 8.943 -2.116 334 H THR 52 H THR 52 9.937 4.143 2.249 335 HA THR 52 HA THR 52 12.075 2.246 2.279 336 HB THR 52 HB THR 52 11.986 4.298 4.529 337 HG1 THR 52 HG1 THR 52 13.179 4.521 2.223 338 HG21 THR 52 3HG2 THR 52 13.964 3.106 5.378 339 HG22 THR 52 1HG2 THR 52 13.819 1.931 4.070 340 HG23 THR 52 2HG2 THR 52 12.558 2.045 5.299 341 HA PRO 53 HA PRO 53 8.066 0.683 3.892 342 HB2 PRO 53 HB2 PRO 53 8.937 -1.947 3.937 343 HB3 PRO 53 HB3 PRO 53 8.166 -1.156 2.559 344 HG2 PRO 53 HG2 PRO 53 11.077 -1.586 3.114 345 HG3 PRO 53 HG3 PRO 53 10.188 -1.761 1.587 346 HD2 PRO 53 HD2 PRO 53 11.673 0.397 2.039 347 HD3 PRO 53 HD3 PRO 53 10.091 0.536 1.234 348 H SER 54 H SER 54 7.371 -0.361 5.820 349 HA SER 54 HA SER 54 9.220 -1.016 7.908 350 HB2 SER 54 HB2 SER 54 7.580 1.530 8.151 351 HB3 SER 54 HB3 SER 54 8.539 0.803 9.439 352 HG SER 54 HG SER 54 10.096 1.117 7.290 353 H LYS 55 H LYS 55 8.002 -1.560 9.937 354 HA LYS 55 HA LYS 55 5.769 -3.180 9.279 355 HB2 LYS 55 HB2 LYS 55 7.355 -3.697 11.110 356 HB3 LYS 55 HB3 LYS 55 6.762 -2.303 12.002 357 HG2 LYS 55 HG2 LYS 55 4.578 -3.309 12.207 358 HG3 LYS 55 HG3 LYS 55 5.081 -4.672 11.210 359 HD2 LYS 55 HD2 LYS 55 5.223 -5.480 13.398 360 HD3 LYS 55 HD3 LYS 55 6.885 -5.070 12.981 361 HE2 LYS 55 HE2 LYS 55 5.046 -3.224 14.496 362 HE3 LYS 55 HE3 LYS 55 6.122 -4.376 15.280 363 HZ1 LYS 55 HZ1 LYS 55 6.895 -2.065 13.584 364 HZ2 LYS 55 HZ2 LYS 55 7.989 -3.249 14.102 365 HZ3 LYS 55 HZ3 LYS 55 7.195 -2.274 15.237 366 H GLY 56 H GLY 56 3.840 -2.370 8.748 367 HA2 GLY 56 HA1 GLY 56 1.769 -1.439 9.506 368 HA3 GLY 56 HA2 GLY 56 2.676 -0.321 10.513 369 H ALA 57 H ALA 57 4.300 -0.397 7.689 370 HA ALA 57 HA ALA 57 2.953 2.026 6.737 371 HB1 ALA 57 HB1 ALA 57 5.346 2.207 7.193 372 HB2 ALA 57 HB2 ALA 57 5.669 0.917 6.033 373 HB3 ALA 57 HB3 ALA 57 5.000 2.451 5.481 374 H ILE 58 H ILE 58 3.816 2.026 4.084 375 HA ILE 58 HA ILE 58 2.643 -0.401 2.934 376 HB ILE 58 HB ILE 58 1.840 2.349 1.985 377 HG12 ILE 58 2HG1 ILE 58 -0.473 1.442 2.928 378 HG13 ILE 58 3HG1 ILE 58 0.589 0.566 4.027 379 HG21 ILE 58 2HG2 ILE 58 0.840 -0.415 1.326 380 HG22 ILE 58 1HG2 ILE 58 1.736 0.680 0.268 381 HG23 ILE 58 3HG2 ILE 58 0.096 1.087 0.770 382 HD11 ILE 58 3HD1 ILE 58 -0.169 2.654 5.006 383 HD12 ILE 58 2HD1 ILE 58 0.514 3.553 3.651 384 HD13 ILE 58 1HD1 ILE 58 1.575 2.676 4.753 385 H LEU 59 H LEU 59 3.346 -0.892 0.865 386 HA LEU 59 HA LEU 59 5.882 0.321 0.105 387 HB2 LEU 59 HB2 LEU 59 5.380 -2.177 0.275 388 HB3 LEU 59 HB3 LEU 59 4.461 -1.989 -1.202 389 HG LEU 59 HG LEU 59 6.708 -0.975 -2.100 390 HD11 LEU 59 2HD1 LEU 59 7.845 -0.995 0.054 391 HD12 LEU 59 1HD1 LEU 59 8.663 -2.041 -1.103 392 HD13 LEU 59 3HD1 LEU 59 7.643 -2.743 0.149 393 HD21 LEU 59 3HD2 LEU 59 7.299 -3.179 -2.917 394 HD22 LEU 59 2HD2 LEU 59 5.550 -2.963 -2.938 395 HD23 LEU 59 1HD2 LEU 59 6.305 -3.925 -1.668 396 H GLN 60 H GLN 60 6.303 0.860 -2.182 397 HA GLN 60 HA GLN 60 4.009 1.188 -3.926 398 HB2 GLN 60 HB2 GLN 60 3.763 3.316 -3.086 399 HB3 GLN 60 HB3 GLN 60 5.459 3.469 -2.657 400 HG2 GLN 60 HG2 GLN 60 5.034 5.017 -4.392 401 HG3 GLN 60 HG3 GLN 60 5.973 3.701 -5.100 402 HE21 GLN 60 1HE2 GLN 60 4.264 5.659 -6.392 403 HE22 GLN 60 2HE2 GLN 60 3.042 4.761 -7.224 404 H SER 61 H SER 61 4.494 0.577 -5.817 405 HA SER 61 HA SER 61 7.142 1.160 -6.935 406 HB2 SER 61 HB2 SER 61 7.094 -1.221 -6.211 407 HB3 SER 61 HB3 SER 61 5.689 -1.484 -7.245 408 HG SER 61 HG SER 61 7.057 -1.818 -8.797 409 H SER 62 H SER 62 6.463 2.741 -8.292 410 HA SER 62 HA SER 62 4.053 2.441 -9.852 411 HB2 SER 62 HB2 SER 62 4.854 4.657 -8.939 412 HB3 SER 62 HB3 SER 62 6.179 4.586 -10.099 413 HG SER 62 HG SER 62 4.858 5.234 -11.592 414 H GLU 63 H GLU 63 4.345 0.732 -11.190 415 HA GLU 63 HA GLU 63 6.586 0.845 -13.089 416 HB2 GLU 63 HB2 GLU 63 6.618 -1.656 -12.976 417 HB3 GLU 63 HB3 GLU 63 7.083 -0.867 -11.474 418 HG2 GLU 63 HG2 GLU 63 4.794 -1.216 -10.622 419 HG3 GLU 63 HG3 GLU 63 4.409 -2.093 -12.101 420 H GLY 64 H GLY 64 3.618 1.559 -13.160 421 HA2 GLY 64 HA1 GLY 64 3.047 0.892 -15.778 422 HA3 GLY 64 HA2 GLY 64 2.347 -0.388 -14.800 423 HA PRO 65 HA PRO 65 -0.828 2.914 -15.401 424 HB2 PRO 65 HB2 PRO 65 -2.933 1.182 -15.481 425 HB3 PRO 65 HB3 PRO 65 -1.962 1.604 -16.896 426 HG2 PRO 65 HG2 PRO 65 -1.795 -0.811 -15.134 427 HG3 PRO 65 HG3 PRO 65 -1.698 -0.703 -16.902 428 HD2 PRO 65 HD2 PRO 65 0.498 -0.958 -15.355 429 HD3 PRO 65 HD3 PRO 65 0.508 -0.025 -16.868 430 H PHE 66 H PHE 66 -0.864 0.144 -13.212 431 HA PHE 66 HA PHE 66 -2.395 1.771 -11.312 432 HB2 PHE 66 HB2 PHE 66 -2.141 -1.235 -11.510 433 HB3 PHE 66 HB3 PHE 66 -2.947 -0.400 -10.186 434 HD1 PHE 66 HD2 PHE 66 -4.876 1.201 -10.838 435 HD2 PHE 66 HD1 PHE 66 -3.335 -1.835 -13.396 436 HE1 PHE 66 HE2 PHE 66 -6.963 1.239 -12.139 437 HE2 PHE 66 HE1 PHE 66 -5.418 -1.792 -14.704 438 HZ PHE 66 HZ PHE 66 -7.238 -0.257 -14.073 439 H GLY 67 H GLY 67 0.265 -0.604 -11.432 440 HA2 GLY 67 HA1 GLY 67 2.306 -0.476 -10.318 441 HA3 GLY 67 HA2 GLY 67 1.741 0.981 -9.514 442 H HIS 68 H HIS 68 2.997 -0.363 -7.796 443 HA HIS 68 HA HIS 68 1.125 -2.214 -6.451 444 HB2 HIS 68 HB2 HIS 68 4.133 -2.042 -6.343 445 HB3 HIS 68 HB3 HIS 68 3.194 -2.935 -5.161 446 HD1 HIS 68 HD1 HIS 68 2.224 -5.201 -5.826 447 HD2 HIS 68 HD2 HIS 68 4.311 -3.277 -8.878 448 HE1 HIS 68 HE1 HIS 68 2.622 -6.948 -7.593 449 HE2 HIS 68 HE2 HIS 68 4.114 -5.822 -9.286 450 H VAL 69 H VAL 69 0.038 -0.927 -4.901 451 HA VAL 69 HA VAL 69 1.978 -0.081 -2.875 452 HB VAL 69 HB VAL 69 0.160 1.196 -1.779 453 HG11 VAL 69 2HG1 VAL 69 0.246 3.066 -3.358 454 HG12 VAL 69 1HG1 VAL 69 0.806 1.967 -4.620 455 HG13 VAL 69 3HG1 VAL 69 1.812 2.268 -3.204 456 HG21 VAL 69 3HG2 VAL 69 -1.853 1.756 -3.043 457 HG22 VAL 69 2HG2 VAL 69 -1.768 0.023 -2.736 458 HG23 VAL 69 1HG2 VAL 69 -1.363 0.657 -4.332 459 H ALA 70 H ALA 70 2.328 -1.615 -1.534 460 HA ALA 70 HA ALA 70 0.128 -3.428 -0.818 461 HB1 ALA 70 HB1 ALA 70 3.067 -4.081 -0.999 462 HB2 ALA 70 HB2 ALA 70 1.779 -5.198 -0.546 463 HB3 ALA 70 HB3 ALA 70 1.839 -4.538 -2.181 464 H TYR 71 H TYR 71 -0.332 -3.589 1.273 465 HA TYR 71 HA TYR 71 0.887 -1.737 3.053 466 HB2 TYR 71 HB2 TYR 71 -1.359 -1.965 3.481 467 HB3 TYR 71 HB3 TYR 71 -1.354 -3.702 3.177 468 HD1 TYR 71 HD1 TYR 71 -0.357 -1.130 5.671 469 HD2 TYR 71 HD2 TYR 71 -1.210 -5.233 4.924 470 HE1 TYR 71 HE1 TYR 71 -0.313 -1.573 8.091 471 HE2 TYR 71 HE2 TYR 71 -1.169 -5.686 7.339 472 HH TYR 71 HH TYR 71 -0.327 -4.795 9.361 473 H VAL 72 H VAL 72 2.585 -1.995 4.268 474 HA VAL 72 HA VAL 72 4.025 -4.489 4.223 475 HB VAL 72 HB VAL 72 4.757 -1.985 5.748 476 HG11 VAL 72 2HG1 VAL 72 6.383 -4.313 4.736 477 HG12 VAL 72 1HG1 VAL 72 6.035 -3.903 6.420 478 HG13 VAL 72 3HG1 VAL 72 7.063 -2.846 5.448 479 HG21 VAL 72 3HG2 VAL 72 4.372 -1.412 3.401 480 HG22 VAL 72 2HG2 VAL 72 5.486 -2.689 2.906 481 HG23 VAL 72 1HG2 VAL 72 6.082 -1.302 3.822 482 H GLU 73 H GLU 73 3.401 -6.038 5.557 483 HA GLU 73 HA GLU 73 2.036 -5.568 8.006 484 HB2 GLU 73 HB2 GLU 73 3.419 -8.071 7.012 485 HB3 GLU 73 HB3 GLU 73 2.279 -7.992 8.349 486 HG2 GLU 73 HG2 GLU 73 0.506 -7.332 6.845 487 HG3 GLU 73 HG3 GLU 73 1.634 -7.307 5.490 488 H SER 74 H SER 74 5.354 -6.014 7.062 489 HA SER 74 HA SER 74 6.563 -5.003 9.313 490 HB2 SER 74 HB2 SER 74 7.413 -7.146 10.380 491 HB3 SER 74 HB3 SER 74 5.711 -6.783 10.669 492 HG SER 74 HG SER 74 5.388 -8.185 8.708 493 H VAL 75 H VAL 75 8.863 -5.200 9.250 494 HA VAL 75 HA VAL 75 9.921 -6.210 6.727 495 HB VAL 75 HB VAL 75 10.647 -3.973 7.446 496 HG11 VAL 75 2HG1 VAL 75 12.115 -3.687 9.386 497 HG12 VAL 75 1HG1 VAL 75 11.856 -5.375 9.822 498 HG13 VAL 75 3HG1 VAL 75 10.505 -4.241 9.847 499 HG21 VAL 75 3HG2 VAL 75 13.083 -4.290 7.234 500 HG22 VAL 75 2HG2 VAL 75 12.173 -5.248 6.065 501 HG23 VAL 75 1HG2 VAL 75 12.864 -6.019 7.495 502 H ASN 76 H ASN 76 11.583 -7.779 6.658 503 HA ASN 76 HA ASN 76 11.345 -9.706 8.822 504 HB2 ASN 76 HB2 ASN 76 12.659 -9.967 6.106 505 HB3 ASN 76 HB3 ASN 76 12.437 -11.276 7.263 506 HD21 ASN 76 1HD2 ASN 76 11.472 -11.058 4.556 507 HD22 ASN 76 2HD2 ASN 76 9.748 -11.178 4.632 508 H SER 77 H SER 77 13.410 -11.032 9.196 509 HA SER 77 HA SER 77 15.213 -9.314 10.529 510 HB2 SER 77 HB2 SER 77 16.449 -11.528 10.914 511 HB3 SER 77 HB3 SER 77 14.794 -11.414 11.516 512 HG SER 77 HG SER 77 15.480 -13.356 10.201 513 H ASP 78 H ASP 78 15.294 -10.860 7.396 514 HA ASP 78 HA ASP 78 18.150 -10.571 7.094 515 HB2 ASP 78 HB2 ASP 78 17.917 -11.664 5.038 516 HB3 ASP 78 HB3 ASP 78 16.627 -12.365 6.011 517 H GLY 79 H GLY 79 15.339 -8.680 6.415 518 HA2 GLY 79 HA1 GLY 79 15.930 -6.260 6.060 519 HA3 GLY 79 HA2 GLY 79 16.981 -6.849 4.779 520 H SER 80 H SER 80 14.790 -8.940 4.237 521 HA SER 80 HA SER 80 13.421 -7.432 2.227 522 HB2 SER 80 HB2 SER 80 12.815 -10.225 3.228 523 HB3 SER 80 HB3 SER 80 12.327 -9.528 1.683 524 HG SER 80 HG SER 80 14.897 -10.325 2.561 525 H VAL 81 H VAL 81 11.037 -7.245 2.102 526 HA VAL 81 HA VAL 81 9.888 -7.014 4.805 527 HB VAL 81 HB VAL 81 8.428 -5.211 3.950 528 HG11 VAL 81 2HG1 VAL 81 10.471 -4.646 5.131 529 HG12 VAL 81 1HG1 VAL 81 10.159 -3.472 3.853 530 HG13 VAL 81 3HG1 VAL 81 11.386 -4.717 3.624 531 HG21 VAL 81 3HG2 VAL 81 8.972 -4.127 1.815 532 HG22 VAL 81 2HG2 VAL 81 8.410 -5.782 1.591 533 HG23 VAL 81 1HG2 VAL 81 10.129 -5.411 1.468 534 H THR 82 H THR 82 7.924 -7.820 5.230 535 HA THR 82 HA THR 82 6.667 -9.476 3.176 536 HB THR 82 HB THR 82 6.168 -9.321 6.161 537 HG1 THR 82 HG1 THR 82 7.919 -10.537 6.139 538 HG21 THR 82 3HG2 THR 82 4.151 -10.005 4.953 539 HG22 THR 82 1HG2 THR 82 4.840 -11.363 5.842 540 HG23 THR 82 2HG2 THR 82 5.075 -11.242 4.098 541 H ILE 83 H ILE 83 4.943 -8.746 2.113 542 HA ILE 83 HA ILE 83 3.376 -6.550 3.292 543 HB ILE 83 HB ILE 83 3.252 -5.520 1.020 544 HG12 ILE 83 2HG1 ILE 83 5.483 -7.471 0.406 545 HG13 ILE 83 3HG1 ILE 83 3.853 -7.532 -0.260 546 HG21 ILE 83 2HG2 ILE 83 6.005 -5.743 2.231 547 HG22 ILE 83 1HG2 ILE 83 4.744 -4.600 2.696 548 HG23 ILE 83 3HG2 ILE 83 5.486 -4.492 1.101 549 HD11 ILE 83 3HD1 ILE 83 5.850 -5.327 -0.694 550 HD12 ILE 83 2HD1 ILE 83 4.224 -5.401 -1.372 551 HD13 ILE 83 1HD1 ILE 83 5.432 -6.595 -1.846 552 H SER 84 H SER 84 1.241 -6.335 2.502 553 HA SER 84 HA SER 84 0.242 -8.629 0.966 554 HB2 SER 84 HB2 SER 84 -1.862 -8.410 2.438 555 HB3 SER 84 HB3 SER 84 -0.437 -9.156 3.160 556 HG SER 84 HG SER 84 0.033 -7.154 4.137 557 H GLU 85 H GLU 85 -0.720 -8.031 -0.817 558 HA GLU 85 HA GLU 85 -2.122 -5.445 -0.929 559 HB2 GLU 85 HB2 GLU 85 -1.419 -5.497 -3.432 560 HB3 GLU 85 HB3 GLU 85 -0.244 -4.979 -2.230 561 HG2 GLU 85 HG2 GLU 85 0.892 -7.053 -2.314 562 HG3 GLU 85 HG3 GLU 85 -0.402 -7.797 -3.250 563 H MET 86 H MET 86 -4.180 -6.219 -0.747 564 HA MET 86 HA MET 86 -5.091 -8.571 -2.043 565 HB2 MET 86 HB2 MET 86 -6.141 -7.653 -0.001 566 HB3 MET 86 HB3 MET 86 -6.711 -6.274 -0.932 567 HG2 MET 86 HG2 MET 86 -8.129 -7.664 -2.254 568 HG3 MET 86 HG3 MET 86 -7.446 -9.121 -1.536 569 HE1 MET 86 HE1 MET 86 -8.843 -9.060 2.086 570 HE2 MET 86 HE2 MET 86 -7.907 -9.951 0.885 571 HE3 MET 86 HE3 MET 86 -7.281 -8.443 1.553 572 H ASN 87 H ASN 87 -5.943 -8.886 -3.977 573 HA ASN 87 HA ASN 87 -6.879 -8.582 -6.015 574 HB2 ASN 87 HB2 ASN 87 -8.408 -6.919 -5.006 575 HB3 ASN 87 HB3 ASN 87 -7.206 -5.664 -5.275 576 HD21 ASN 87 1HD2 ASN 87 -6.873 -4.892 -7.361 577 HD22 ASN 87 2HD2 ASN 87 -7.940 -5.253 -8.672 578 H TYR 88 H TYR 88 -5.014 -5.632 -5.303 579 HA TYR 88 HA TYR 88 -3.350 -4.569 -6.415 580 HB2 TYR 88 HB2 TYR 88 -1.977 -6.504 -6.197 581 HB3 TYR 88 HB3 TYR 88 -2.862 -7.365 -7.449 582 HD1 TYR 88 HD1 TYR 88 -1.011 -4.115 -7.159 583 HD2 TYR 88 HD2 TYR 88 -1.722 -7.648 -9.419 584 HE1 TYR 88 HE1 TYR 88 0.630 -3.372 -8.833 585 HE2 TYR 88 HE2 TYR 88 -0.087 -6.910 -11.100 586 HH TYR 88 HH TYR 88 2.054 -4.308 -10.558 587 H SER 89 H SER 89 -4.325 -6.889 -8.918 588 HA SER 89 HA SER 89 -5.969 -5.150 -10.377 589 HB2 SER 89 HB2 SER 89 -3.820 -3.953 -10.784 590 HB3 SER 89 HB3 SER 89 -3.164 -5.427 -11.496 591 HG SER 89 HG SER 89 -5.584 -4.582 -12.543 592 H GLY 90 H GLY 90 -7.286 -6.845 -10.768 593 HA2 GLY 90 HA1 GLY 90 -7.284 -8.438 -12.856 594 HA3 GLY 90 HA2 GLY 90 -6.135 -9.312 -11.854 595 H GLY 91 H GLY 91 -6.850 -10.423 -10.042 596 HA2 GLY 91 HA1 GLY 91 -9.693 -11.086 -10.151 597 HA3 GLY 91 HA2 GLY 91 -8.446 -11.975 -9.287 598 HA PRO 92 HA PRO 92 -10.553 -8.302 -6.763 599 HB2 PRO 92 HB2 PRO 92 -13.032 -9.937 -6.640 600 HB3 PRO 92 HB3 PRO 92 -12.842 -8.183 -6.750 601 HG2 PRO 92 HG2 PRO 92 -13.615 -9.584 -8.871 602 HG3 PRO 92 HG3 PRO 92 -12.476 -8.231 -9.043 603 HD2 PRO 92 HD2 PRO 92 -11.934 -11.177 -9.031 604 HD3 PRO 92 HD3 PRO 92 -11.234 -9.908 -10.059 605 H PHE 93 H PHE 93 -9.861 -8.499 -4.780 606 HA PHE 93 HA PHE 93 -9.551 -9.186 -2.665 607 HB2 PHE 93 HB2 PHE 93 -11.503 -11.380 -3.351 608 HB3 PHE 93 HB3 PHE 93 -10.825 -11.099 -1.749 609 HD1 PHE 93 HD1 PHE 93 -13.131 -9.827 -4.311 610 HD2 PHE 93 HD2 PHE 93 -11.573 -9.267 -0.388 611 HE1 PHE 93 HE1 PHE 93 -14.951 -8.248 -3.816 612 HE2 PHE 93 HE2 PHE 93 -13.393 -7.689 0.111 613 HZ PHE 93 HZ PHE 93 -15.085 -7.176 -1.603 614 H SER 94 H SER 94 -8.253 -10.575 -5.232 615 HA SER 94 HA SER 94 -7.061 -12.865 -3.994 616 HB2 SER 94 HB2 SER 94 -5.305 -12.651 -5.796 617 HB3 SER 94 HB3 SER 94 -6.963 -12.812 -6.401 618 HG SER 94 HG SER 94 -6.986 -10.641 -6.879 619 H VAL 95 H VAL 95 -6.395 -12.177 -1.976 620 HA VAL 95 HA VAL 95 -4.790 -9.936 -1.527 621 HB VAL 95 HB VAL 95 -5.874 -10.915 0.352 622 HG11 VAL 95 2HG1 VAL 95 -5.373 -13.109 1.240 623 HG12 VAL 95 1HG1 VAL 95 -4.232 -13.397 -0.073 624 HG13 VAL 95 3HG1 VAL 95 -5.953 -13.230 -0.422 625 HG21 VAL 95 3HG2 VAL 95 -2.904 -11.332 0.623 626 HG22 VAL 95 2HG2 VAL 95 -4.042 -11.147 1.957 627 HG23 VAL 95 1HG2 VAL 95 -3.765 -9.810 0.840 628 H SER 96 H SER 96 -3.118 -9.700 -2.880 629 HA SER 96 HA SER 96 -1.466 -11.815 -3.773 630 HB2 SER 96 HB2 SER 96 -1.829 -9.885 -5.179 631 HB3 SER 96 HB3 SER 96 -1.190 -8.805 -3.947 632 HG SER 96 HG SER 96 0.540 -9.037 -5.137 633 H SER 97 H SER 97 0.106 -12.751 -2.791 634 HA SER 97 HA SER 97 1.258 -11.543 -0.381 635 HB2 SER 97 HB2 SER 97 1.598 -14.341 -1.487 636 HB3 SER 97 HB3 SER 97 2.098 -13.775 0.109 637 HG SER 97 HG SER 97 -0.535 -13.277 -0.440 638 H ARG 98 H ARG 98 3.041 -10.366 -0.629 639 HA ARG 98 HA ARG 98 4.961 -11.176 -2.712 640 HB2 ARG 98 HB2 ARG 98 4.202 -8.350 -1.952 641 HB3 ARG 98 HB3 ARG 98 5.434 -8.796 -3.122 642 HG2 ARG 98 HG2 ARG 98 2.522 -9.493 -3.383 643 HG3 ARG 98 HG3 ARG 98 3.282 -8.085 -4.121 644 HD2 ARG 98 HD2 ARG 98 4.668 -9.440 -5.486 645 HD3 ARG 98 HD3 ARG 98 4.225 -10.898 -4.599 646 HE ARG 98 HE ARG 98 1.880 -10.370 -5.508 647 HH11 ARG 98 2HH1 ARG 98 4.849 -9.597 -7.203 648 HH12 ARG 98 1HH1 ARG 98 4.162 -9.865 -8.779 649 HH21 ARG 98 2HH2 ARG 98 0.982 -10.707 -7.579 650 HH22 ARG 98 1HH2 ARG 98 1.960 -10.466 -8.997 651 H THR 99 H THR 99 7.141 -10.389 -2.363 652 HA THR 99 HA THR 99 7.823 -9.595 0.360 653 HB THR 99 HB THR 99 9.097 -12.016 -0.948 654 HG1 THR 99 HG1 THR 99 6.888 -11.753 0.608 655 HG21 THR 99 3HG2 THR 99 10.661 -10.752 0.437 656 HG22 THR 99 1HG2 THR 99 10.236 -12.273 1.221 657 HG23 THR 99 2HG2 THR 99 9.509 -10.764 1.772 658 H ILE 100 H ILE 100 9.065 -7.854 0.107 659 HA ILE 100 HA ILE 100 10.398 -7.480 -2.465 660 HB ILE 100 HB ILE 100 10.043 -5.461 -0.255 661 HG12 ILE 100 2HG1 ILE 100 7.862 -6.148 -1.040 662 HG13 ILE 100 3HG1 ILE 100 8.227 -4.537 -1.660 663 HG21 ILE 100 2HG2 ILE 100 10.816 -5.159 -3.150 664 HG22 ILE 100 1HG2 ILE 100 11.853 -4.901 -1.746 665 HG23 ILE 100 3HG2 ILE 100 10.486 -3.827 -2.043 666 HD11 ILE 100 3HD1 ILE 100 8.360 -7.141 -3.172 667 HD12 ILE 100 2HD1 ILE 100 8.873 -5.583 -3.815 668 HD13 ILE 100 1HD1 ILE 100 7.183 -5.845 -3.384 669 H SER 101 H SER 101 12.503 -7.624 -2.714 670 HA SER 101 HA SER 101 14.312 -8.163 -0.608 671 HB2 SER 101 HB2 SER 101 16.024 -7.707 -2.450 672 HB3 SER 101 HB3 SER 101 14.843 -8.974 -2.789 673 HG SER 101 HG SER 101 14.839 -7.713 -4.580 674 H ALA 102 H ALA 102 15.740 -6.819 0.452 675 HA ALA 102 HA ALA 102 15.036 -4.230 1.055 676 HB1 ALA 102 HB1 ALA 102 16.581 -5.639 2.358 677 HB2 ALA 102 HB2 ALA 102 17.828 -5.354 1.144 678 HB3 ALA 102 HB3 ALA 102 17.201 -4.009 2.094 679 H SER 103 H SER 103 17.139 -5.343 -1.539 680 HA SER 103 HA SER 103 18.336 -2.936 -2.260 681 HB2 SER 103 HB2 SER 103 18.916 -5.198 -3.162 682 HB3 SER 103 HB3 SER 103 17.460 -5.127 -4.152 683 HG SER 103 HG SER 103 18.328 -3.561 -5.372 684 H GLU 104 H GLU 104 15.305 -4.360 -3.532 685 HA GLU 104 HA GLU 104 14.734 -1.961 -5.027 686 HB2 GLU 104 HB2 GLU 104 13.272 -4.556 -4.635 687 HB3 GLU 104 HB3 GLU 104 12.519 -3.195 -5.456 688 HG2 GLU 104 HG2 GLU 104 14.419 -3.162 -7.044 689 HG3 GLU 104 HG3 GLU 104 15.038 -4.623 -6.276 690 H ALA 105 H ALA 105 14.008 -3.208 -1.903 691 HA ALA 105 HA ALA 105 11.640 -1.781 -1.360 692 HB1 ALA 105 HB1 ALA 105 13.786 -2.637 0.582 693 HB2 ALA 105 HB2 ALA 105 12.130 -2.187 0.986 694 HB3 ALA 105 HB3 ALA 105 12.442 -3.638 0.033 695 H GLY 106 H GLY 106 15.044 -0.907 -1.151 696 HA2 GLY 106 HA1 GLY 106 14.727 1.551 0.199 697 HA3 GLY 106 HA2 GLY 106 16.075 1.125 -0.846 698 H ASN 107 H ASN 107 14.227 0.651 -3.121 699 HA ASN 107 HA ASN 107 14.114 3.372 -4.093 700 HB2 ASN 107 HB2 ASN 107 14.901 1.711 -5.646 701 HB3 ASN 107 HB3 ASN 107 13.494 0.695 -5.362 702 HD21 ASN 107 1HD2 ASN 107 11.572 1.161 -6.380 703 HD22 ASN 107 2HD2 ASN 107 11.435 2.329 -7.646 704 H TYR 108 H TYR 108 11.889 0.792 -3.231 705 HA TYR 108 HA TYR 108 9.565 1.956 -4.298 706 HB2 TYR 108 HB2 TYR 108 9.952 -0.095 -2.123 707 HB3 TYR 108 HB3 TYR 108 8.375 0.363 -2.754 708 HD1 TYR 108 HD2 TYR 108 10.187 0.658 -5.585 709 HD2 TYR 108 HD1 TYR 108 9.002 -2.383 -2.870 710 HE1 TYR 108 HE2 TYR 108 10.404 -1.021 -7.372 711 HE2 TYR 108 HE1 TYR 108 9.208 -4.054 -4.634 712 HH TYR 108 HH TYR 108 10.846 -3.613 -7.428 713 H ASN 109 H ASN 109 8.108 3.339 -3.519 714 HA ASN 109 HA ASN 109 8.980 5.016 -1.343 715 HB2 ASN 109 HB2 ASN 109 6.683 5.196 -3.284 716 HB3 ASN 109 HB3 ASN 109 6.858 6.319 -1.940 717 HD21 ASN 109 1HD2 ASN 109 8.047 5.351 -5.030 718 HD22 ASN 109 2HD2 ASN 109 9.144 6.671 -5.254 719 H TYR 110 H TYR 110 7.488 5.740 0.330 720 HA TYR 110 HA TYR 110 5.218 4.084 0.922 721 HB2 TYR 110 HB2 TYR 110 5.919 3.145 2.926 722 HB3 TYR 110 HB3 TYR 110 7.354 2.990 1.931 723 HD1 TYR 110 HD1 TYR 110 8.637 5.591 2.135 724 HD2 TYR 110 HD2 TYR 110 6.580 3.348 5.099 725 HE1 TYR 110 HE1 TYR 110 9.949 6.706 3.881 726 HE2 TYR 110 HE2 TYR 110 7.880 4.465 6.859 727 HH TYR 110 HH TYR 110 10.158 5.637 7.017 728 H ILE 111 H ILE 111 3.744 5.168 2.250 729 HA ILE 111 HA ILE 111 4.544 7.930 2.842 730 HB ILE 111 HB ILE 111 2.244 8.643 2.426 731 HG12 ILE 111 2HG1 ILE 111 1.751 5.781 1.575 732 HG13 ILE 111 3HG1 ILE 111 1.129 6.516 3.047 733 HG21 ILE 111 2HG2 ILE 111 3.836 8.675 0.570 734 HG22 ILE 111 1HG2 ILE 111 2.209 8.327 -0.012 735 HG23 ILE 111 3HG2 ILE 111 3.387 7.024 0.145 736 HD11 ILE 111 3HD1 ILE 111 0.447 7.299 0.220 737 HD12 ILE 111 2HD1 ILE 111 -0.153 8.103 1.672 738 HD13 ILE 111 1HD1 ILE 111 -0.585 6.424 1.354 739 H HIS 112 H HIS 112 4.632 8.364 4.941 740 HA HIS 112 HA HIS 112 2.583 7.104 6.637 741 HB2 HIS 112 HB2 HIS 112 4.141 6.987 8.505 742 HB3 HIS 112 HB3 HIS 112 4.775 6.087 7.135 743 HD1 HIS 112 HD1 HIS 112 5.538 8.854 9.439 744 HD2 HIS 112 HD2 HIS 112 7.043 7.323 5.863 745 HE1 HIS 112 HE1 HIS 112 7.833 9.846 9.186 746 HE2 HIS 112 HE2 HIS 112 8.812 8.665 7.196 747 H ILE 113 H ILE 113 1.766 8.388 8.315 748 HA ILE 113 HA ILE 113 1.177 10.984 7.472 749 HB ILE 113 HB ILE 113 0.873 10.012 10.314 750 HG12 ILE 113 2HG1 ILE 113 -0.948 9.447 7.960 751 HG13 ILE 113 3HG1 ILE 113 0.094 8.262 8.741 752 HG21 ILE 113 2HG2 ILE 113 -1.199 11.376 10.201 753 HG22 ILE 113 1HG2 ILE 113 -0.715 11.910 8.590 754 HG23 ILE 113 3HG2 ILE 113 0.276 12.323 9.990 755 HD11 ILE 113 3HD1 ILE 113 -2.229 8.061 9.456 756 HD12 ILE 113 2HD1 ILE 113 -2.185 9.717 10.061 757 HD13 ILE 113 1HD1 ILE 113 -1.166 8.481 10.799 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 -26.696 7.891 9.153 2 H2 GLY 1 H2 GLY 1 -25.877 8.796 10.327 3 H3 GLY 1 H3 GLY 1 -27.327 8.011 10.724 4 HA2 GLY 1 HA2 GLY 1 -25.499 6.772 11.624 5 HA3 GLY 1 HA1 GLY 1 -26.284 5.859 10.344 6 H SER 2 H SER 2 -23.720 5.272 11.158 7 HA SER 2 HA SER 2 -21.761 6.560 9.517 8 HB2 SER 2 HB2 SER 2 -21.223 5.441 11.673 9 HB3 SER 2 HB3 SER 2 -21.615 3.888 10.939 10 HG SER 2 HG SER 2 -19.708 5.585 9.738 11 H SER 3 H SER 3 -23.449 3.447 9.397 12 HA SER 3 HA SER 3 -23.861 1.966 7.741 13 HB2 SER 3 HB2 SER 3 -23.440 4.371 5.954 14 HB3 SER 3 HB3 SER 3 -24.229 2.866 5.483 15 HG SER 3 HG SER 3 -25.503 4.845 6.320 16 H ILE 4 H ILE 4 -21.579 1.329 8.593 17 HA ILE 4 HA ILE 4 -19.657 1.323 6.370 18 HB ILE 4 HB ILE 4 -18.074 0.296 7.985 19 HG12 ILE 4 2HG1 ILE 4 -20.259 0.831 10.014 20 HG13 ILE 4 3HG1 ILE 4 -19.764 -0.761 9.451 21 HG21 ILE 4 2HG2 ILE 4 -18.054 2.690 7.639 22 HG22 ILE 4 1HG2 ILE 4 -17.717 2.324 9.332 23 HG23 ILE 4 3HG2 ILE 4 -19.314 2.902 8.855 24 HD11 ILE 4 3HD1 ILE 4 -17.548 -0.412 10.414 25 HD12 ILE 4 2HD1 ILE 4 -18.818 -0.262 11.629 26 HD13 ILE 4 1HD1 ILE 4 -18.045 1.183 10.975 27 H SER 5 H SER 5 -18.495 -0.851 6.069 28 HA SER 5 HA SER 5 -20.531 -2.976 6.126 29 HB2 SER 5 HB2 SER 5 -19.923 -2.186 3.842 30 HB3 SER 5 HB3 SER 5 -18.254 -2.671 4.149 31 HG SER 5 HG SER 5 -20.532 -4.233 3.702 32 H HIS 6 H HIS 6 -17.110 -3.292 5.355 33 HA HIS 6 HA HIS 6 -16.726 -4.723 7.907 34 HB2 HIS 6 HB2 HIS 6 -15.454 -5.351 5.229 35 HB3 HIS 6 HB3 HIS 6 -15.078 -6.159 6.747 36 HD1 HIS 6 HD1 HIS 6 -17.349 -6.266 3.896 37 HD2 HIS 6 HD2 HIS 6 -17.314 -7.688 7.801 38 HE1 HIS 6 HE1 HIS 6 -19.141 -8.027 3.992 39 HE2 HIS 6 HE2 HIS 6 -19.233 -8.717 6.413 40 H SER 7 H SER 7 -15.493 -2.589 5.465 41 HA SER 7 HA SER 7 -13.488 -1.649 7.398 42 HB2 SER 7 HB2 SER 7 -12.492 -2.761 5.375 43 HB3 SER 7 HB3 SER 7 -13.263 -1.527 4.379 44 HG SER 7 HG SER 7 -11.102 -1.330 6.147 45 H GLY 8 H GLY 8 -13.227 0.605 7.540 46 HA2 GLY 8 HA1 GLY 8 -15.547 2.148 6.703 47 HA3 GLY 8 HA2 GLY 8 -14.232 2.708 7.730 48 H ASN 9 H ASN 9 -14.363 1.350 4.452 49 HA ASN 9 HA ASN 9 -12.880 3.714 3.530 50 HB2 ASN 9 HB2 ASN 9 -11.402 1.730 3.766 51 HB3 ASN 9 HB3 ASN 9 -12.420 0.867 2.620 52 HD21 ASN 9 1HD2 ASN 9 -10.389 0.656 1.461 53 HD22 ASN 9 2HD2 ASN 9 -9.895 1.930 0.403 54 H LEU 10 H LEU 10 -13.285 4.409 1.455 55 HA LEU 10 HA LEU 10 -16.009 3.838 0.609 56 HB2 LEU 10 HB2 LEU 10 -14.111 5.932 -0.423 57 HB3 LEU 10 HB3 LEU 10 -15.854 5.894 -0.617 58 HG LEU 10 HG LEU 10 -14.388 6.303 1.990 59 HD11 LEU 10 2HD1 LEU 10 -15.266 8.585 1.855 60 HD12 LEU 10 1HD1 LEU 10 -15.918 8.232 0.254 61 HD13 LEU 10 3HD1 LEU 10 -14.175 8.218 0.520 62 HD21 LEU 10 3HD2 LEU 10 -17.338 6.379 1.356 63 HD22 LEU 10 2HD2 LEU 10 -16.607 6.824 2.897 64 HD23 LEU 10 1HD2 LEU 10 -16.510 5.159 2.325 65 H TYR 11 H TYR 11 -12.888 2.939 -0.283 66 HA TYR 11 HA TYR 11 -13.088 3.122 -3.107 67 HB2 TYR 11 HB2 TYR 11 -11.070 2.544 -1.253 68 HB3 TYR 11 HB3 TYR 11 -11.221 1.090 -2.236 69 HD1 TYR 11 HD1 TYR 11 -10.861 1.209 -4.679 70 HD2 TYR 11 HD2 TYR 11 -10.171 4.560 -2.159 71 HE1 TYR 11 HE1 TYR 11 -9.575 2.285 -6.475 72 HE2 TYR 11 HE2 TYR 11 -8.880 5.649 -3.948 73 HH TYR 11 HH TYR 11 -7.698 5.139 -5.950 74 H THR 12 H THR 12 -12.766 1.160 -4.504 75 HA THR 12 HA THR 12 -15.045 -0.453 -4.444 76 HB THR 12 HB THR 12 -12.508 -1.165 -5.915 77 HG1 THR 12 HG1 THR 12 -14.169 1.070 -6.196 78 HG21 THR 12 3HG2 THR 12 -15.430 -1.433 -6.630 79 HG22 THR 12 1HG2 THR 12 -14.377 -2.740 -6.091 80 HG23 THR 12 2HG2 THR 12 -14.072 -1.941 -7.633 81 H ALA 13 H ALA 13 -15.423 -2.506 -3.751 82 HA ALA 13 HA ALA 13 -13.941 -3.481 -1.584 83 HB1 ALA 13 HB1 ALA 13 -16.335 -3.881 -1.839 84 HB2 ALA 13 HB2 ALA 13 -16.015 -4.907 -3.237 85 HB3 ALA 13 HB3 ALA 13 -15.450 -5.394 -1.640 86 H GLY 14 H GLY 14 -11.976 -4.330 -1.729 87 HA2 GLY 14 HA1 GLY 14 -10.545 -6.141 -2.242 88 HA3 GLY 14 HA2 GLY 14 -11.542 -6.493 -3.647 89 H GLN 15 H GLN 15 -10.137 -3.388 -2.704 90 HA GLN 15 HA GLN 15 -8.549 -3.472 -5.181 91 HB2 GLN 15 HB2 GLN 15 -9.651 -1.194 -3.560 92 HB3 GLN 15 HB3 GLN 15 -8.299 -0.944 -4.657 93 HG2 GLN 15 HG2 GLN 15 -11.013 -1.995 -5.417 94 HG3 GLN 15 HG3 GLN 15 -10.416 -0.358 -5.697 95 HE21 GLN 15 1HE2 GLN 15 -10.238 -3.678 -6.644 96 HE22 GLN 15 2HE2 GLN 15 -9.306 -3.433 -8.082 97 H CYS 16 H CYS 16 -6.360 -2.776 -5.144 98 HA CYS 16 HA CYS 16 -4.809 -3.604 -2.966 99 HB2 CYS 16 HB2 CYS 16 -2.993 -2.208 -4.138 100 HB3 CYS 16 HB3 CYS 16 -3.714 -3.531 -5.049 101 HG CYS 16 HG CYS 16 -4.284 -2.092 -7.080 102 H THR 17 H THR 17 -5.861 -0.396 -4.002 103 HA THR 17 HA THR 17 -4.567 0.978 -1.853 104 HB THR 17 HB THR 17 -5.944 2.923 -2.602 105 HG1 THR 17 HG1 THR 17 -6.948 2.152 -4.847 106 HG21 THR 17 3HG2 THR 17 -4.929 3.140 -4.816 107 HG22 THR 17 1HG2 THR 17 -4.571 1.412 -4.825 108 HG23 THR 17 2HG2 THR 17 -3.784 2.470 -3.653 109 H TRP 18 H TRP 18 -7.590 -0.609 -2.291 110 HA TRP 18 HA TRP 18 -9.030 0.568 -0.141 111 HB2 TRP 18 HB2 TRP 18 -10.182 -0.571 -1.954 112 HB3 TRP 18 HB3 TRP 18 -9.346 -2.072 -1.590 113 HD1 TRP 18 HD1 TRP 18 -12.177 0.173 -0.278 114 HE1 TRP 18 HE1 TRP 18 -13.664 -1.248 1.273 115 HE3 TRP 18 HE3 TRP 18 -9.359 -4.097 -0.097 116 HZ2 TRP 18 HZ2 TRP 18 -13.655 -3.815 2.415 117 HZ3 TRP 18 HZ3 TRP 18 -10.180 -5.986 1.246 118 HH2 TRP 18 HH2 TRP 18 -12.282 -5.849 2.476 119 H TYR 19 H TYR 19 -7.171 -2.426 -0.521 120 HA TYR 19 HA TYR 19 -7.542 -3.425 2.078 121 HB2 TYR 19 HB2 TYR 19 -6.732 -4.809 0.239 122 HB3 TYR 19 HB3 TYR 19 -5.263 -3.849 0.133 123 HD1 TYR 19 HD2 TYR 19 -7.152 -6.099 2.415 124 HD2 TYR 19 HD1 TYR 19 -3.375 -4.447 1.372 125 HE1 TYR 19 HE2 TYR 19 -6.052 -7.633 3.989 126 HE2 TYR 19 HE1 TYR 19 -2.266 -5.977 2.941 127 HH TYR 19 HH TYR 19 -2.740 -7.302 4.871 128 H VAL 20 H VAL 20 -4.942 -1.445 0.694 129 HA VAL 20 HA VAL 20 -3.296 -1.281 2.938 130 HB VAL 20 HB VAL 20 -3.768 0.777 0.771 131 HG11 VAL 20 2HG1 VAL 20 -1.542 0.624 2.802 132 HG12 VAL 20 1HG1 VAL 20 -2.820 1.839 2.745 133 HG13 VAL 20 3HG1 VAL 20 -1.628 1.752 1.448 134 HG21 VAL 20 3HG2 VAL 20 -1.595 -1.288 1.121 135 HG22 VAL 20 2HG2 VAL 20 -1.698 -0.104 -0.183 136 HG23 VAL 20 1HG2 VAL 20 -2.920 -1.365 -0.040 137 H TYR 21 H TYR 21 -6.007 0.782 1.964 138 HA TYR 21 HA TYR 21 -5.738 2.696 3.995 139 HB2 TYR 21 HB2 TYR 21 -7.125 2.857 1.880 140 HB3 TYR 21 HB3 TYR 21 -8.333 1.873 2.695 141 HD1 TYR 21 HD1 TYR 21 -6.456 5.067 3.013 142 HD2 TYR 21 HD2 TYR 21 -9.944 2.867 4.034 143 HE1 TYR 21 HE1 TYR 21 -7.444 7.094 3.977 144 HE2 TYR 21 HE2 TYR 21 -10.946 4.885 5.002 145 HH TYR 21 HH TYR 21 -10.290 7.024 5.898 146 H ASP 22 H ASP 22 -7.588 -0.324 3.861 147 HA ASP 22 HA ASP 22 -8.879 -0.058 6.354 148 HB2 ASP 22 HB2 ASP 22 -9.596 -1.748 4.770 149 HB3 ASP 22 HB3 ASP 22 -8.033 -2.554 4.873 150 H LYS 23 H LYS 23 -5.824 -1.588 5.463 151 HA LYS 23 HA LYS 23 -5.276 -2.684 8.002 152 HB2 LYS 23 HB2 LYS 23 -3.396 -2.003 5.740 153 HB3 LYS 23 HB3 LYS 23 -2.981 -2.995 7.131 154 HG2 LYS 23 HG2 LYS 23 -5.197 -3.658 5.212 155 HG3 LYS 23 HG3 LYS 23 -3.548 -4.260 5.056 156 HD2 LYS 23 HD2 LYS 23 -5.219 -4.675 7.527 157 HD3 LYS 23 HD3 LYS 23 -5.191 -5.814 6.177 158 HE2 LYS 23 HE2 LYS 23 -2.744 -6.020 6.451 159 HE3 LYS 23 HE3 LYS 23 -2.835 -4.950 7.850 160 HZ1 LYS 23 HZ1 LYS 23 -2.779 -7.359 8.386 161 HZ2 LYS 23 HZ2 LYS 23 -4.299 -7.526 7.652 162 HZ3 LYS 23 HZ3 LYS 23 -4.124 -6.542 9.025 163 H VAL 24 H VAL 24 -4.759 0.511 6.724 164 HA VAL 24 HA VAL 24 -2.960 1.181 8.926 165 HB VAL 24 HB VAL 24 -2.743 3.390 7.916 166 HG11 VAL 24 2HG1 VAL 24 -1.639 2.729 5.835 167 HG12 VAL 24 1HG1 VAL 24 -2.437 1.157 5.915 168 HG13 VAL 24 3HG1 VAL 24 -1.268 1.618 7.154 169 HG21 VAL 24 3HG2 VAL 24 -3.796 3.910 5.763 170 HG22 VAL 24 2HG2 VAL 24 -4.995 3.659 7.032 171 HG23 VAL 24 1HG2 VAL 24 -4.694 2.394 5.841 172 H GLY 25 H GLY 25 -6.135 0.770 8.718 173 HA2 GLY 25 HA1 GLY 25 -7.760 1.296 10.274 174 HA3 GLY 25 HA2 GLY 25 -6.608 2.363 11.062 175 H GLY 26 H GLY 26 -7.229 2.753 7.672 176 HA2 GLY 26 HA1 GLY 26 -8.185 4.474 6.490 177 HA3 GLY 26 HA2 GLY 26 -9.361 4.580 7.792 178 H GLU 27 H GLU 27 -5.885 5.060 8.062 179 HA GLU 27 HA GLU 27 -6.401 7.600 9.346 180 HB2 GLU 27 HB2 GLU 27 -4.806 5.830 10.238 181 HB3 GLU 27 HB3 GLU 27 -3.716 6.300 8.943 182 HG2 GLU 27 HG2 GLU 27 -3.137 7.390 11.031 183 HG3 GLU 27 HG3 GLU 27 -3.634 8.564 9.813 184 H ILE 28 H ILE 28 -4.428 6.412 6.631 185 HA ILE 28 HA ILE 28 -4.316 9.194 5.682 186 HB ILE 28 HB ILE 28 -2.154 9.030 5.019 187 HG12 ILE 28 2HG1 ILE 28 -2.686 7.126 3.421 188 HG13 ILE 28 3HG1 ILE 28 -1.042 7.171 4.049 189 HG21 ILE 28 2HG2 ILE 28 -2.230 6.836 7.073 190 HG22 ILE 28 1HG2 ILE 28 -2.077 8.566 7.379 191 HG23 ILE 28 3HG2 ILE 28 -0.783 7.697 6.552 192 HD11 ILE 28 3HD1 ILE 28 -1.730 5.431 5.710 193 HD12 ILE 28 2HD1 ILE 28 -1.770 4.913 4.023 194 HD13 ILE 28 1HD1 ILE 28 -3.273 5.321 4.857 195 H GLY 29 H GLY 29 -4.974 9.628 3.616 196 HA2 GLY 29 HA1 GLY 29 -4.707 8.928 1.304 197 HA3 GLY 29 HA2 GLY 29 -5.154 7.311 1.810 198 H SER 30 H SER 30 -6.900 6.860 0.760 199 HA SER 30 HA SER 30 -8.936 6.858 -0.163 200 HB2 SER 30 HB2 SER 30 -10.783 7.955 0.849 201 HB3 SER 30 HB3 SER 30 -9.691 7.537 2.165 202 HG SER 30 HG SER 30 -8.916 9.726 2.052 203 H THR 31 H THR 31 -7.511 10.064 0.171 204 HA THR 31 HA THR 31 -8.634 10.845 -2.415 205 HB THR 31 HB THR 31 -7.605 13.093 -1.790 206 HG1 THR 31 HG1 THR 31 -7.533 12.926 0.785 207 HG21 THR 31 3HG2 THR 31 -9.729 11.920 0.017 208 HG22 THR 31 1HG2 THR 31 -9.997 12.644 -1.568 209 HG23 THR 31 2HG2 THR 31 -9.428 13.642 -0.231 210 H TRP 32 H TRP 32 -6.056 9.135 -1.512 211 HA TRP 32 HA TRP 32 -3.889 10.557 -2.708 212 HB2 TRP 32 HB2 TRP 32 -2.628 8.445 -2.451 213 HB3 TRP 32 HB3 TRP 32 -3.411 8.960 -0.961 214 HD1 TRP 32 HD1 TRP 32 -5.252 7.096 -3.746 215 HE1 TRP 32 HE1 TRP 32 -6.026 4.843 -2.848 216 HE3 TRP 32 HE3 TRP 32 -2.901 7.216 0.779 217 HZ2 TRP 32 HZ2 TRP 32 -5.698 3.284 -0.487 218 HZ3 TRP 32 HZ3 TRP 32 -3.184 5.302 2.306 219 HH2 TRP 32 HH2 TRP 32 -4.551 3.376 1.685 220 H GLY 33 H GLY 33 -6.497 9.152 -4.112 221 HA2 GLY 33 HA1 GLY 33 -6.889 8.882 -6.396 222 HA3 GLY 33 HA2 GLY 33 -5.160 9.074 -6.657 223 H ASN 34 H ASN 34 -4.173 7.400 -7.398 224 HA ASN 34 HA ASN 34 -5.062 4.750 -6.527 225 HB2 ASN 34 HB2 ASN 34 -4.747 3.846 -8.726 226 HB3 ASN 34 HB3 ASN 34 -5.843 5.216 -8.850 227 HD21 ASN 34 1HD2 ASN 34 -5.102 7.139 -9.822 228 HD22 ASN 34 2HD2 ASN 34 -3.711 7.141 -10.852 229 H ALA 35 H ALA 35 -3.137 3.227 -7.736 230 HA ALA 35 HA ALA 35 -1.236 3.451 -5.681 231 HB1 ALA 35 HB1 ALA 35 -1.989 1.326 -6.598 232 HB2 ALA 35 HB2 ALA 35 -1.168 1.691 -8.116 233 HB3 ALA 35 HB3 ALA 35 -0.231 1.472 -6.640 234 H ASN 36 H ASN 36 -0.945 4.170 -9.186 235 HA ASN 36 HA ASN 36 1.886 4.713 -8.827 236 HB2 ASN 36 HB2 ASN 36 1.982 5.222 -11.200 237 HB3 ASN 36 HB3 ASN 36 1.150 3.698 -10.938 238 HD21 ASN 36 1HD2 ASN 36 0.278 3.877 -13.014 239 HD22 ASN 36 2HD2 ASN 36 -1.053 4.931 -13.358 240 H ASN 37 H ASN 37 -0.773 6.371 -8.056 241 HA ASN 37 HA ASN 37 0.350 9.010 -8.711 242 HB2 ASN 37 HB2 ASN 37 -1.946 8.536 -9.535 243 HB3 ASN 37 HB3 ASN 37 -2.467 8.251 -7.880 244 HD21 ASN 37 1HD2 ASN 37 -2.891 9.969 -6.558 245 HD22 ASN 37 2HD2 ASN 37 -2.906 11.610 -7.116 246 H TRP 38 H TRP 38 0.406 6.813 -6.343 247 HA TRP 38 HA TRP 38 -0.589 7.935 -4.034 248 HB2 TRP 38 HB2 TRP 38 1.235 5.796 -4.708 249 HB3 TRP 38 HB3 TRP 38 1.689 6.604 -3.201 250 HD1 TRP 38 HD1 TRP 38 -1.879 5.806 -4.484 251 HE1 TRP 38 HE1 TRP 38 -3.042 4.447 -2.673 252 HE3 TRP 38 HE3 TRP 38 2.031 5.345 -1.264 253 HZ2 TRP 38 HZ2 TRP 38 -2.360 3.311 -0.107 254 HZ3 TRP 38 HZ3 TRP 38 1.714 4.113 0.833 255 HH2 TRP 38 HH2 TRP 38 -0.415 3.111 1.393 256 H ALA 39 H ALA 39 2.847 8.035 -5.027 257 HA ALA 39 HA ALA 39 3.726 9.434 -2.785 258 HB1 ALA 39 HB1 ALA 39 5.234 8.245 -4.298 259 HB2 ALA 39 HB2 ALA 39 4.935 9.449 -5.552 260 HB3 ALA 39 HB3 ALA 39 5.752 9.915 -4.061 261 H ALA 40 H ALA 40 2.446 10.593 -5.830 262 HA ALA 40 HA ALA 40 3.073 13.338 -5.419 263 HB1 ALA 40 HB1 ALA 40 2.656 12.395 -7.633 264 HB2 ALA 40 HB2 ALA 40 0.982 12.078 -7.180 265 HB3 ALA 40 HB3 ALA 40 1.566 13.738 -7.289 266 H ALA 41 H ALA 41 0.051 11.477 -5.136 267 HA ALA 41 HA ALA 41 -1.529 13.607 -4.174 268 HB1 ALA 41 HB1 ALA 41 -3.144 11.891 -3.555 269 HB2 ALA 41 HB2 ALA 41 -2.473 11.565 -5.151 270 HB3 ALA 41 HB3 ALA 41 -1.919 10.637 -3.756 271 H ALA 42 H ALA 42 0.228 11.033 -2.524 272 HA ALA 42 HA ALA 42 -0.626 11.474 0.081 273 HB1 ALA 42 HB1 ALA 42 1.488 10.372 0.740 274 HB2 ALA 42 HB2 ALA 42 0.620 9.513 -0.534 275 HB3 ALA 42 HB3 ALA 42 2.032 10.490 -0.932 276 H GLN 43 H GLN 43 2.216 12.842 -1.590 277 HA GLN 43 HA GLN 43 3.043 14.413 0.622 278 HB2 GLN 43 HB2 GLN 43 3.671 14.681 -2.322 279 HB3 GLN 43 HB3 GLN 43 4.461 15.602 -1.049 280 HG2 GLN 43 HG2 GLN 43 5.300 13.534 -0.067 281 HG3 GLN 43 HG3 GLN 43 4.503 12.605 -1.338 282 HE21 GLN 43 1HE2 GLN 43 7.331 12.798 -0.623 283 HE22 GLN 43 2HE2 GLN 43 8.150 13.309 -2.054 284 H GLY 44 H GLY 44 0.876 14.983 -2.077 285 HA2 GLY 44 HA1 GLY 44 0.549 17.781 -1.636 286 HA3 GLY 44 HA2 GLY 44 -0.535 16.744 -2.553 287 H ALA 45 H ALA 45 -1.030 14.917 -0.367 288 HA ALA 45 HA ALA 45 -3.073 16.362 1.029 289 HB1 ALA 45 HB1 ALA 45 -3.367 14.019 0.367 290 HB2 ALA 45 HB2 ALA 45 -2.069 13.548 1.464 291 HB3 ALA 45 HB3 ALA 45 -3.564 14.229 2.106 292 H GLY 46 H GLY 46 0.220 15.535 1.643 293 HA2 GLY 46 HA1 GLY 46 1.422 16.896 3.230 294 HA3 GLY 46 HA2 GLY 46 -0.009 16.894 4.247 295 H PHE 47 H PHE 47 1.086 13.942 2.740 296 HA PHE 47 HA PHE 47 1.433 12.738 5.339 297 HB2 PHE 47 HB2 PHE 47 1.856 11.582 2.572 298 HB3 PHE 47 HB3 PHE 47 1.922 10.661 4.066 299 HD1 PHE 47 HD1 PHE 47 -0.564 12.763 4.885 300 HD2 PHE 47 HD2 PHE 47 0.212 9.688 2.052 301 HE1 PHE 47 HE1 PHE 47 -2.981 12.336 4.689 302 HE2 PHE 47 HE2 PHE 47 -2.198 9.241 1.848 303 HZ PHE 47 HZ PHE 47 -3.799 10.580 3.168 304 H THR 48 H THR 48 3.341 11.577 5.979 305 HA THR 48 HA THR 48 5.801 12.930 5.113 306 HB THR 48 HB THR 48 5.409 11.173 7.546 307 HG1 THR 48 HG1 THR 48 4.078 12.994 7.766 308 HG21 THR 48 3HG2 THR 48 7.737 11.450 6.806 309 HG22 THR 48 1HG2 THR 48 7.447 12.265 8.344 310 HG23 THR 48 2HG2 THR 48 7.539 13.202 6.854 311 H VAL 49 H VAL 49 7.096 11.859 3.737 312 HA VAL 49 HA VAL 49 6.923 8.925 3.706 313 HB VAL 49 HB VAL 49 6.389 8.946 1.556 314 HG11 VAL 49 2HG1 VAL 49 5.859 11.018 0.372 315 HG12 VAL 49 1HG1 VAL 49 6.669 11.944 1.636 316 HG13 VAL 49 3HG1 VAL 49 5.218 11.016 2.016 317 HG21 VAL 49 3HG2 VAL 49 8.879 9.008 1.191 318 HG22 VAL 49 2HG2 VAL 49 8.718 10.735 0.878 319 HG23 VAL 49 1HG2 VAL 49 7.904 9.563 -0.170 320 H ASN 50 H ASN 50 8.714 7.794 3.859 321 HA ASN 50 HA ASN 50 11.303 9.000 3.178 322 HB2 ASN 50 HB2 ASN 50 11.305 7.175 5.535 323 HB3 ASN 50 HB3 ASN 50 12.373 8.519 5.165 324 HD21 ASN 50 1HD2 ASN 50 9.696 7.447 6.929 325 HD22 ASN 50 2HD2 ASN 50 9.270 8.952 7.663 326 H HIS 51 H HIS 51 9.421 6.222 4.028 327 HA HIS 51 HA HIS 51 9.259 4.131 3.319 328 HB2 HIS 51 HB2 HIS 51 9.333 5.000 1.030 329 HB3 HIS 51 HB3 HIS 51 11.092 4.876 1.044 330 HD1 HIS 51 HD1 HIS 51 8.011 2.673 1.222 331 HD2 HIS 51 HD2 HIS 51 12.086 2.386 0.476 332 HE1 HIS 51 HE1 HIS 51 8.393 0.300 0.505 333 HE2 HIS 51 HE2 HIS 51 10.832 0.218 -0.138 334 H THR 52 H THR 52 10.310 3.704 5.249 335 HA THR 52 HA THR 52 12.685 2.070 4.743 336 HB THR 52 HB THR 52 11.904 3.444 7.338 337 HG1 THR 52 HG1 THR 52 14.361 4.011 6.230 338 HG21 THR 52 3HG2 THR 52 14.039 2.599 8.193 339 HG22 THR 52 1HG2 THR 52 14.334 1.772 6.664 340 HG23 THR 52 2HG2 THR 52 12.996 1.267 7.696 341 HA PRO 53 HA PRO 53 9.373 -1.070 4.991 342 HB2 PRO 53 HB2 PRO 53 11.540 -2.811 5.835 343 HB3 PRO 53 HB3 PRO 53 10.607 -2.843 4.339 344 HG2 PRO 53 HG2 PRO 53 13.221 -1.598 4.891 345 HG3 PRO 53 HG3 PRO 53 12.511 -2.085 3.341 346 HD2 PRO 53 HD2 PRO 53 12.774 0.496 3.964 347 HD3 PRO 53 HD3 PRO 53 11.315 -0.102 3.117 348 H SER 54 H SER 54 8.073 -1.064 6.690 349 HA SER 54 HA SER 54 8.936 -2.054 9.242 350 HB2 SER 54 HB2 SER 54 8.106 0.846 8.950 351 HB3 SER 54 HB3 SER 54 8.171 -0.003 10.490 352 HG SER 54 HG SER 54 10.470 -0.226 8.992 353 H LYS 55 H LYS 55 7.179 -2.697 10.514 354 HA LYS 55 HA LYS 55 4.756 -3.242 9.222 355 HB2 LYS 55 HB2 LYS 55 5.429 -4.575 11.112 356 HB3 LYS 55 HB3 LYS 55 5.470 -3.163 12.161 357 HG2 LYS 55 HG2 LYS 55 3.077 -2.955 12.060 358 HG3 LYS 55 HG3 LYS 55 2.978 -4.252 10.867 359 HD2 LYS 55 HD2 LYS 55 3.788 -5.852 12.494 360 HD3 LYS 55 HD3 LYS 55 4.022 -4.566 13.683 361 HE2 LYS 55 HE2 LYS 55 1.952 -5.821 14.087 362 HE3 LYS 55 HE3 LYS 55 1.635 -4.129 13.711 363 HZ1 LYS 55 HZ1 LYS 55 1.281 -6.475 11.927 364 HZ2 LYS 55 HZ2 LYS 55 1.238 -4.876 11.374 365 HZ3 LYS 55 HZ3 LYS 55 0.090 -5.406 12.493 366 H GLY 56 H GLY 56 3.078 -1.977 8.769 367 HA2 GLY 56 HA1 GLY 56 1.385 -0.411 9.375 368 HA3 GLY 56 HA2 GLY 56 2.508 0.323 10.513 369 H ALA 57 H ALA 57 4.155 -0.324 7.737 370 HA ALA 57 HA ALA 57 3.704 2.385 6.694 371 HB1 ALA 57 HB1 ALA 57 5.893 2.235 5.696 372 HB2 ALA 57 HB2 ALA 57 6.003 1.851 7.417 373 HB3 ALA 57 HB3 ALA 57 6.052 0.556 6.221 374 H ILE 58 H ILE 58 4.449 2.279 4.154 375 HA ILE 58 HA ILE 58 2.901 0.086 2.974 376 HB ILE 58 HB ILE 58 2.745 2.638 1.528 377 HG12 ILE 58 2HG1 ILE 58 2.421 3.243 3.995 378 HG13 ILE 58 3HG1 ILE 58 1.118 3.657 2.899 379 HG21 ILE 58 2HG2 ILE 58 0.784 0.466 2.265 380 HG22 ILE 58 1HG2 ILE 58 1.654 0.619 0.741 381 HG23 ILE 58 3HG2 ILE 58 0.439 1.816 1.185 382 HD11 ILE 58 3HD1 ILE 58 -0.143 1.719 3.637 383 HD12 ILE 58 2HD1 ILE 58 0.271 2.773 4.988 384 HD13 ILE 58 1HD1 ILE 58 1.171 1.278 4.728 385 H LEU 59 H LEU 59 3.158 0.508 0.380 386 HA LEU 59 HA LEU 59 5.913 1.067 -0.336 387 HB2 LEU 59 HB2 LEU 59 5.758 -1.295 0.493 388 HB3 LEU 59 HB3 LEU 59 4.638 -1.625 -0.810 389 HG LEU 59 HG LEU 59 7.077 -0.457 -1.827 390 HD11 LEU 59 2HD1 LEU 59 8.549 -2.334 -1.302 391 HD12 LEU 59 1HD1 LEU 59 7.313 -3.009 -0.241 392 HD13 LEU 59 3HD1 LEU 59 8.070 -1.465 0.157 393 HD21 LEU 59 3HD2 LEU 59 5.729 -3.128 -2.227 394 HD22 LEU 59 2HD2 LEU 59 7.010 -2.460 -3.239 395 HD23 LEU 59 1HD2 LEU 59 5.435 -1.666 -3.170 396 H GLN 60 H GLN 60 6.030 1.766 -2.469 397 HA GLN 60 HA GLN 60 3.700 1.296 -4.177 398 HB2 GLN 60 HB2 GLN 60 3.398 3.574 -4.736 399 HB3 GLN 60 HB3 GLN 60 3.491 3.522 -2.985 400 HG2 GLN 60 HG2 GLN 60 5.097 5.004 -3.021 401 HG3 GLN 60 HG3 GLN 60 6.104 3.913 -3.974 402 HE21 GLN 60 1HE2 GLN 60 3.072 5.131 -5.174 403 HE22 GLN 60 2HE2 GLN 60 3.739 6.205 -6.360 404 H SER 61 H SER 61 4.070 1.138 -6.255 405 HA SER 61 HA SER 61 6.737 1.722 -7.320 406 HB2 SER 61 HB2 SER 61 6.814 -0.629 -7.018 407 HB3 SER 61 HB3 SER 61 5.143 -0.833 -7.530 408 HG SER 61 HG SER 61 7.389 -0.167 -9.155 409 H SER 62 H SER 62 6.738 2.386 -9.477 410 HA SER 62 HA SER 62 4.155 3.277 -10.479 411 HB2 SER 62 HB2 SER 62 5.737 4.388 -12.231 412 HB3 SER 62 HB3 SER 62 5.709 5.018 -10.584 413 HG SER 62 HG SER 62 7.570 3.047 -11.460 414 H GLU 63 H GLU 63 5.878 0.556 -10.650 415 HA GLU 63 HA GLU 63 5.667 0.062 -13.510 416 HB2 GLU 63 HB2 GLU 63 6.756 -1.624 -11.243 417 HB3 GLU 63 HB3 GLU 63 6.743 -2.123 -12.926 418 HG2 GLU 63 HG2 GLU 63 8.933 -1.330 -12.308 419 HG3 GLU 63 HG3 GLU 63 8.212 -0.242 -13.489 420 H GLY 64 H GLY 64 3.496 -0.105 -13.925 421 HA2 GLY 64 HA1 GLY 64 2.201 -2.505 -13.795 422 HA3 GLY 64 HA2 GLY 64 1.738 -1.696 -12.304 423 HA PRO 65 HA PRO 65 -1.020 -0.264 -15.820 424 HB2 PRO 65 HB2 PRO 65 -3.285 -1.327 -14.372 425 HB3 PRO 65 HB3 PRO 65 -2.705 -1.764 -15.977 426 HG2 PRO 65 HG2 PRO 65 -2.594 -3.414 -13.782 427 HG3 PRO 65 HG3 PRO 65 -1.539 -3.558 -15.200 428 HD2 PRO 65 HD2 PRO 65 -0.970 -2.391 -12.515 429 HD3 PRO 65 HD3 PRO 65 0.106 -3.281 -13.614 430 H PHE 66 H PHE 66 -2.284 -0.575 -12.510 431 HA PHE 66 HA PHE 66 -2.926 2.286 -12.511 432 HB2 PHE 66 HB2 PHE 66 -3.778 0.063 -10.638 433 HB3 PHE 66 HB3 PHE 66 -4.277 1.744 -10.499 434 HD1 PHE 66 HD2 PHE 66 -4.556 -1.306 -12.556 435 HD2 PHE 66 HD1 PHE 66 -6.016 2.632 -11.847 436 HE1 PHE 66 HE2 PHE 66 -6.475 -1.751 -14.033 437 HE2 PHE 66 HE1 PHE 66 -7.932 2.190 -13.326 438 HZ PHE 66 HZ PHE 66 -8.163 -0.004 -14.420 439 H GLY 67 H GLY 67 -0.313 0.680 -11.992 440 HA2 GLY 67 HA1 GLY 67 1.570 1.542 -10.815 441 HA3 GLY 67 HA2 GLY 67 0.474 2.196 -9.604 442 H HIS 68 H HIS 68 1.535 1.205 -7.878 443 HA HIS 68 HA HIS 68 0.698 -1.485 -7.331 444 HB2 HIS 68 HB2 HIS 68 2.831 -1.699 -8.746 445 HB3 HIS 68 HB3 HIS 68 3.677 -0.975 -7.376 446 HD1 HIS 68 HD1 HIS 68 3.463 -4.094 -8.738 447 HD2 HIS 68 HD2 HIS 68 2.584 -2.701 -4.922 448 HE1 HIS 68 HE1 HIS 68 3.590 -6.101 -7.235 449 HE2 HIS 68 HE2 HIS 68 2.742 -5.275 -5.006 450 H VAL 69 H VAL 69 -0.258 -0.480 -5.413 451 HA VAL 69 HA VAL 69 1.842 0.183 -3.471 452 HB VAL 69 HB VAL 69 0.129 1.383 -2.160 453 HG11 VAL 69 2HG1 VAL 69 0.034 3.338 -3.647 454 HG12 VAL 69 1HG1 VAL 69 0.530 2.318 -4.998 455 HG13 VAL 69 3HG1 VAL 69 1.626 2.580 -3.642 456 HG21 VAL 69 3HG2 VAL 69 -1.988 2.001 -3.240 457 HG22 VAL 69 2HG2 VAL 69 -1.871 0.260 -2.985 458 HG23 VAL 69 1HG2 VAL 69 -1.604 0.936 -4.591 459 H ALA 70 H ALA 70 2.144 -1.081 -1.845 460 HA ALA 70 HA ALA 70 0.069 -3.025 -1.101 461 HB1 ALA 70 HB1 ALA 70 1.820 -4.710 -0.781 462 HB2 ALA 70 HB2 ALA 70 1.754 -4.158 -2.456 463 HB3 ALA 70 HB3 ALA 70 3.022 -3.569 -1.382 464 H TYR 71 H TYR 71 -0.155 -3.375 1.061 465 HA TYR 71 HA TYR 71 1.067 -1.402 2.777 466 HB2 TYR 71 HB2 TYR 71 -1.222 -1.683 3.193 467 HB3 TYR 71 HB3 TYR 71 -1.115 -3.442 3.121 468 HD1 TYR 71 HD1 TYR 71 -0.261 -0.486 5.187 469 HD2 TYR 71 HD2 TYR 71 -0.689 -4.718 5.043 470 HE1 TYR 71 HE1 TYR 71 -0.047 -0.579 7.636 471 HE2 TYR 71 HE2 TYR 71 -0.475 -4.823 7.495 472 HH TYR 71 HH TYR 71 -0.595 -2.026 9.484 473 H VAL 72 H VAL 72 2.575 -1.740 4.304 474 HA VAL 72 HA VAL 72 4.029 -4.252 4.143 475 HB VAL 72 HB VAL 72 4.732 -1.738 5.655 476 HG11 VAL 72 2HG1 VAL 72 6.376 -4.136 4.861 477 HG12 VAL 72 1HG1 VAL 72 5.947 -3.623 6.498 478 HG13 VAL 72 3HG1 VAL 72 7.041 -2.641 5.518 479 HG21 VAL 72 3HG2 VAL 72 5.481 -2.579 2.857 480 HG22 VAL 72 2HG2 VAL 72 6.213 -1.234 3.736 481 HG23 VAL 72 1HG2 VAL 72 4.496 -1.186 3.322 482 H GLU 73 H GLU 73 3.382 -5.832 5.465 483 HA GLU 73 HA GLU 73 2.126 -5.177 7.988 484 HB2 GLU 73 HB2 GLU 73 2.681 -7.869 6.733 485 HB3 GLU 73 HB3 GLU 73 1.763 -7.609 8.210 486 HG2 GLU 73 HG2 GLU 73 0.262 -6.110 6.761 487 HG3 GLU 73 HG3 GLU 73 1.035 -6.912 5.395 488 H SER 74 H SER 74 5.194 -6.407 6.825 489 HA SER 74 HA SER 74 6.477 -5.895 9.316 490 HB2 SER 74 HB2 SER 74 6.056 -8.790 8.520 491 HB3 SER 74 HB3 SER 74 7.257 -8.265 9.697 492 HG SER 74 HG SER 74 4.726 -7.299 10.166 493 H VAL 75 H VAL 75 8.726 -5.850 9.095 494 HA VAL 75 HA VAL 75 9.764 -6.717 6.478 495 HB VAL 75 HB VAL 75 10.183 -4.338 6.884 496 HG11 VAL 75 2HG1 VAL 75 10.181 -4.358 9.325 497 HG12 VAL 75 1HG1 VAL 75 11.636 -3.586 8.697 498 HG13 VAL 75 3HG1 VAL 75 11.713 -5.231 9.328 499 HG21 VAL 75 3HG2 VAL 75 11.830 -5.567 5.581 500 HG22 VAL 75 2HG2 VAL 75 12.685 -6.031 7.053 501 HG23 VAL 75 1HG2 VAL 75 12.633 -4.340 6.559 502 H ASN 76 H ASN 76 11.194 -8.331 6.413 503 HA ASN 76 HA ASN 76 11.603 -9.828 8.822 504 HB2 ASN 76 HB2 ASN 76 12.654 -10.348 6.028 505 HB3 ASN 76 HB3 ASN 76 12.704 -11.486 7.371 506 HD21 ASN 76 1HD2 ASN 76 10.730 -9.931 5.004 507 HD22 ASN 76 2HD2 ASN 76 9.315 -10.909 5.218 508 H SER 77 H SER 77 13.607 -10.337 9.756 509 HA SER 77 HA SER 77 15.345 -8.112 9.936 510 HB2 SER 77 HB2 SER 77 15.836 -10.919 10.946 511 HB3 SER 77 HB3 SER 77 16.545 -9.423 11.560 512 HG SER 77 HG SER 77 14.095 -8.886 11.772 513 H ASP 78 H ASP 78 15.322 -10.882 7.913 514 HA ASP 78 HA ASP 78 18.066 -11.008 7.233 515 HB2 ASP 78 HB2 ASP 78 15.623 -11.796 5.630 516 HB3 ASP 78 HB3 ASP 78 17.277 -12.224 5.215 517 H GLY 79 H GLY 79 15.617 -8.752 6.480 518 HA2 GLY 79 HA1 GLY 79 16.325 -6.646 5.485 519 HA3 GLY 79 HA2 GLY 79 17.344 -7.575 4.394 520 H SER 80 H SER 80 14.833 -9.471 4.441 521 HA SER 80 HA SER 80 13.626 -8.304 2.084 522 HB2 SER 80 HB2 SER 80 12.289 -10.506 2.190 523 HB3 SER 80 HB3 SER 80 14.020 -10.612 1.868 524 HG SER 80 HG SER 80 14.131 -11.838 3.557 525 H VAL 81 H VAL 81 11.415 -7.774 1.900 526 HA VAL 81 HA VAL 81 10.172 -7.183 4.510 527 HB VAL 81 HB VAL 81 9.681 -5.702 1.927 528 HG11 VAL 81 2HG1 VAL 81 7.900 -5.478 3.554 529 HG12 VAL 81 1HG1 VAL 81 8.787 -3.961 3.408 530 HG13 VAL 81 3HG1 VAL 81 9.063 -5.014 4.796 531 HG21 VAL 81 3HG2 VAL 81 11.160 -3.953 2.857 532 HG22 VAL 81 2HG2 VAL 81 12.009 -5.455 2.489 533 HG23 VAL 81 1HG2 VAL 81 11.600 -5.062 4.160 534 H THR 82 H THR 82 8.090 -7.748 4.888 535 HA THR 82 HA THR 82 6.804 -9.389 2.830 536 HB THR 82 HB THR 82 6.365 -9.262 5.822 537 HG1 THR 82 HG1 THR 82 7.153 -11.580 4.440 538 HG21 THR 82 3HG2 THR 82 5.026 -11.010 3.747 539 HG22 THR 82 1HG2 THR 82 4.253 -9.734 4.686 540 HG23 THR 82 2HG2 THR 82 4.853 -11.183 5.493 541 H ILE 83 H ILE 83 5.453 -8.245 1.617 542 HA ILE 83 HA ILE 83 3.777 -6.203 2.926 543 HB ILE 83 HB ILE 83 3.523 -5.154 0.713 544 HG12 ILE 83 2HG1 ILE 83 5.626 -7.127 -0.205 545 HG13 ILE 83 3HG1 ILE 83 3.918 -7.232 -0.613 546 HG21 ILE 83 2HG2 ILE 83 6.389 -5.525 1.574 547 HG22 ILE 83 1HG2 ILE 83 5.245 -4.352 2.228 548 HG23 ILE 83 3HG2 ILE 83 5.784 -4.218 0.553 549 HD11 ILE 83 3HD1 ILE 83 4.063 -5.113 -1.794 550 HD12 ILE 83 2HD1 ILE 83 5.225 -6.279 -2.425 551 HD13 ILE 83 1HD1 ILE 83 5.769 -4.983 -1.360 552 H SER 84 H SER 84 1.594 -6.071 2.363 553 HA SER 84 HA SER 84 0.528 -8.337 0.837 554 HB2 SER 84 HB2 SER 84 -0.531 -7.288 3.471 555 HB3 SER 84 HB3 SER 84 -1.364 -8.463 2.452 556 HG SER 84 HG SER 84 0.261 -9.086 4.305 557 H GLU 85 H GLU 85 -0.865 -7.812 -0.649 558 HA GLU 85 HA GLU 85 -2.306 -5.267 -0.561 559 HB2 GLU 85 HB2 GLU 85 -1.675 -4.848 -2.949 560 HB3 GLU 85 HB3 GLU 85 -0.311 -4.757 -1.841 561 HG2 GLU 85 HG2 GLU 85 0.241 -7.114 -2.458 562 HG3 GLU 85 HG3 GLU 85 -1.008 -7.019 -3.696 563 H MET 86 H MET 86 -4.408 -5.879 -0.739 564 HA MET 86 HA MET 86 -5.040 -8.464 -1.797 565 HB2 MET 86 HB2 MET 86 -6.242 -7.300 0.136 566 HB3 MET 86 HB3 MET 86 -7.058 -6.346 -1.097 567 HG2 MET 86 HG2 MET 86 -7.857 -8.451 -2.125 568 HG3 MET 86 HG3 MET 86 -7.132 -9.335 -0.792 569 HE1 MET 86 HE1 MET 86 -8.027 -9.468 1.580 570 HE2 MET 86 HE2 MET 86 -7.724 -7.743 1.792 571 HE3 MET 86 HE3 MET 86 -9.285 -8.425 2.249 572 H ASN 87 H ASN 87 -5.463 -8.964 -3.780 573 HA ASN 87 HA ASN 87 -6.178 -8.938 -5.918 574 HB2 ASN 87 HB2 ASN 87 -8.169 -7.725 -5.368 575 HB3 ASN 87 HB3 ASN 87 -7.280 -6.213 -5.231 576 HD21 ASN 87 1HD2 ASN 87 -8.598 -5.220 -6.750 577 HD22 ASN 87 2HD2 ASN 87 -8.480 -5.559 -8.447 578 H TYR 88 H TYR 88 -4.864 -5.745 -5.026 579 HA TYR 88 HA TYR 88 -3.239 -4.463 -5.940 580 HB2 TYR 88 HB2 TYR 88 -1.622 -6.123 -5.850 581 HB3 TYR 88 HB3 TYR 88 -2.468 -7.162 -6.984 582 HD1 TYR 88 HD2 TYR 88 -1.020 -3.691 -7.095 583 HD2 TYR 88 HD1 TYR 88 -1.332 -7.522 -8.919 584 HE1 TYR 88 HE2 TYR 88 0.452 -2.941 -8.919 585 HE2 TYR 88 HE1 TYR 88 0.138 -6.783 -10.741 586 HH TYR 88 HH TYR 88 0.915 -4.815 -11.797 587 H SER 89 H SER 89 -4.110 -6.647 -8.619 588 HA SER 89 HA SER 89 -5.843 -4.906 -9.926 589 HB2 SER 89 HB2 SER 89 -3.757 -3.528 -10.205 590 HB3 SER 89 HB3 SER 89 -3.065 -4.853 -11.138 591 HG SER 89 HG SER 89 -5.364 -3.314 -11.771 592 H GLY 90 H GLY 90 -6.834 -6.986 -10.056 593 HA2 GLY 90 HA1 GLY 90 -6.926 -8.138 -12.484 594 HA3 GLY 90 HA2 GLY 90 -5.585 -8.988 -11.736 595 H GLY 91 H GLY 91 -6.108 -9.924 -9.514 596 HA2 GLY 91 HA1 GLY 91 -8.573 -11.460 -9.894 597 HA3 GLY 91 HA2 GLY 91 -7.217 -11.921 -8.876 598 HA PRO 92 HA PRO 92 -10.549 -8.884 -6.802 599 HB2 PRO 92 HB2 PRO 92 -12.521 -11.106 -6.922 600 HB3 PRO 92 HB3 PRO 92 -12.776 -9.364 -7.073 601 HG2 PRO 92 HG2 PRO 92 -12.877 -10.924 -9.223 602 HG3 PRO 92 HG3 PRO 92 -12.110 -9.326 -9.298 603 HD2 PRO 92 HD2 PRO 92 -10.841 -12.030 -9.125 604 HD3 PRO 92 HD3 PRO 92 -10.352 -10.613 -10.080 605 H PHE 93 H PHE 93 -9.724 -8.941 -4.858 606 HA PHE 93 HA PHE 93 -9.375 -9.475 -2.703 607 HB2 PHE 93 HB2 PHE 93 -11.219 -11.778 -3.302 608 HB3 PHE 93 HB3 PHE 93 -10.491 -11.502 -1.722 609 HD1 PHE 93 HD2 PHE 93 -12.738 -10.014 -4.263 610 HD2 PHE 93 HD1 PHE 93 -11.405 -9.959 -0.221 611 HE1 PHE 93 HE2 PHE 93 -14.572 -8.484 -3.680 612 HE2 PHE 93 HE1 PHE 93 -13.239 -8.428 0.368 613 HZ PHE 93 HZ PHE 93 -14.825 -7.687 -1.365 614 H SER 94 H SER 94 -7.908 -10.891 -5.145 615 HA SER 94 HA SER 94 -6.548 -13.013 -3.788 616 HB2 SER 94 HB2 SER 94 -5.701 -11.342 -6.169 617 HB3 SER 94 HB3 SER 94 -4.807 -12.744 -5.567 618 HG SER 94 HG SER 94 -6.169 -13.355 -7.270 619 H VAL 95 H VAL 95 -6.127 -11.993 -1.739 620 HA VAL 95 HA VAL 95 -4.617 -9.645 -1.515 621 HB VAL 95 HB VAL 95 -5.769 -10.276 0.424 622 HG11 VAL 95 2HG1 VAL 95 -4.347 -12.923 0.337 623 HG12 VAL 95 1HG1 VAL 95 -6.046 -12.624 -0.031 624 HG13 VAL 95 3HG1 VAL 95 -5.442 -12.386 1.610 625 HG21 VAL 95 3HG2 VAL 95 -2.856 -10.873 0.925 626 HG22 VAL 95 2HG2 VAL 95 -4.044 -10.459 2.159 627 HG23 VAL 95 1HG2 VAL 95 -3.613 -9.280 0.920 628 H SER 96 H SER 96 -2.814 -9.478 -2.632 629 HA SER 96 HA SER 96 -1.161 -11.688 -3.285 630 HB2 SER 96 HB2 SER 96 -1.469 -9.852 -4.850 631 HB3 SER 96 HB3 SER 96 -0.788 -8.712 -3.692 632 HG SER 96 HG SER 96 1.110 -9.225 -4.390 633 H SER 97 H SER 97 0.489 -12.477 -2.287 634 HA SER 97 HA SER 97 1.739 -10.921 -0.107 635 HB2 SER 97 HB2 SER 97 1.871 -13.907 -0.591 636 HB3 SER 97 HB3 SER 97 2.449 -13.041 0.833 637 HG SER 97 HG SER 97 -0.163 -12.499 0.279 638 H ARG 98 H ARG 98 3.519 -9.909 -0.768 639 HA ARG 98 HA ARG 98 5.306 -11.292 -2.670 640 HB2 ARG 98 HB2 ARG 98 3.831 -9.147 -3.345 641 HB3 ARG 98 HB3 ARG 98 5.207 -8.316 -2.643 642 HG2 ARG 98 HG2 ARG 98 5.523 -10.384 -4.797 643 HG3 ARG 98 HG3 ARG 98 5.204 -8.690 -5.157 644 HD2 ARG 98 HD2 ARG 98 7.254 -8.186 -3.705 645 HD3 ARG 98 HD3 ARG 98 7.614 -9.907 -3.839 646 HE ARG 98 HE ARG 98 7.178 -9.010 -6.417 647 HH11 ARG 98 2HH1 ARG 98 9.520 -8.451 -3.860 648 HH12 ARG 98 1HH1 ARG 98 10.743 -7.854 -4.950 649 HH21 ARG 98 2HH2 ARG 98 8.792 -8.258 -7.826 650 HH22 ARG 98 1HH2 ARG 98 10.327 -7.728 -7.184 651 H THR 99 H THR 99 7.514 -11.070 -2.292 652 HA THR 99 HA THR 99 8.199 -9.949 0.334 653 HB THR 99 HB THR 99 9.809 -11.939 -1.274 654 HG1 THR 99 HG1 THR 99 7.664 -12.699 -0.587 655 HG21 THR 99 3HG2 THR 99 9.890 -11.144 1.641 656 HG22 THR 99 1HG2 THR 99 11.080 -10.710 0.415 657 HG23 THR 99 2HG2 THR 99 10.880 -12.397 0.892 658 H ILE 100 H ILE 100 9.329 -8.128 0.353 659 HA ILE 100 HA ILE 100 10.450 -7.105 -2.132 660 HB ILE 100 HB ILE 100 10.348 -5.833 0.610 661 HG12 ILE 100 2HG1 ILE 100 8.106 -6.213 -0.306 662 HG13 ILE 100 3HG1 ILE 100 8.509 -4.486 -0.284 663 HG21 ILE 100 2HG2 ILE 100 10.815 -3.738 -0.590 664 HG22 ILE 100 1HG2 ILE 100 11.006 -4.653 -2.086 665 HG23 ILE 100 3HG2 ILE 100 12.127 -4.906 -0.749 666 HD11 ILE 100 3HD1 ILE 100 8.580 -6.319 -2.686 667 HD12 ILE 100 2HD1 ILE 100 9.035 -4.615 -2.684 668 HD13 ILE 100 1HD1 ILE 100 7.370 -5.083 -2.341 669 H SER 101 H SER 101 12.495 -7.597 -2.663 670 HA SER 101 HA SER 101 14.501 -8.131 -0.666 671 HB2 SER 101 HB2 SER 101 14.595 -9.145 -2.942 672 HB3 SER 101 HB3 SER 101 14.838 -7.536 -3.624 673 HG SER 101 HG SER 101 16.826 -8.608 -3.340 674 H ALA 102 H ALA 102 16.050 -6.712 0.104 675 HA ALA 102 HA ALA 102 15.549 -4.063 0.468 676 HB1 ALA 102 HB1 ALA 102 17.872 -3.783 1.076 677 HB2 ALA 102 HB2 ALA 102 17.281 -5.344 1.649 678 HB3 ALA 102 HB3 ALA 102 18.301 -5.260 0.212 679 H SER 103 H SER 103 17.285 -5.477 -2.261 680 HA SER 103 HA SER 103 18.265 -3.222 -3.514 681 HB2 SER 103 HB2 SER 103 16.997 -5.553 -4.958 682 HB3 SER 103 HB3 SER 103 18.337 -4.543 -5.504 683 HG SER 103 HG SER 103 19.655 -5.787 -4.444 684 H GLU 104 H GLU 104 15.058 -4.717 -3.932 685 HA GLU 104 HA GLU 104 14.092 -2.600 -5.615 686 HB2 GLU 104 HB2 GLU 104 12.656 -4.841 -4.180 687 HB3 GLU 104 HB3 GLU 104 11.879 -3.720 -5.289 688 HG2 GLU 104 HG2 GLU 104 13.182 -4.518 -7.117 689 HG3 GLU 104 HG3 GLU 104 14.164 -5.520 -6.043 690 H ALA 105 H ALA 105 14.134 -3.319 -2.222 691 HA ALA 105 HA ALA 105 11.996 -1.842 -1.280 692 HB1 ALA 105 HB1 ALA 105 13.152 -1.743 0.853 693 HB2 ALA 105 HB2 ALA 105 13.347 -3.336 0.122 694 HB3 ALA 105 HB3 ALA 105 14.672 -2.172 0.069 695 H GLY 106 H GLY 106 15.321 -0.745 -1.916 696 HA2 GLY 106 HA1 GLY 106 14.926 1.909 -1.015 697 HA3 GLY 106 HA2 GLY 106 16.195 1.378 -2.103 698 H ASN 107 H ASN 107 13.563 0.446 -3.712 699 HA ASN 107 HA ASN 107 13.641 2.825 -5.395 700 HB2 ASN 107 HB2 ASN 107 14.033 0.807 -6.579 701 HB3 ASN 107 HB3 ASN 107 12.673 0.001 -5.812 702 HD21 ASN 107 1HD2 ASN 107 10.681 0.168 -6.690 703 HD22 ASN 107 2HD2 ASN 107 10.334 1.001 -8.162 704 H TYR 108 H TYR 108 11.568 1.468 -3.049 705 HA TYR 108 HA TYR 108 9.159 2.531 -4.342 706 HB2 TYR 108 HB2 TYR 108 9.368 0.819 -1.863 707 HB3 TYR 108 HB3 TYR 108 7.894 1.231 -2.729 708 HD1 TYR 108 HD2 TYR 108 8.140 0.612 -5.404 709 HD2 TYR 108 HD1 TYR 108 10.106 -1.326 -2.170 710 HE1 TYR 108 HE2 TYR 108 8.381 -1.418 -6.770 711 HE2 TYR 108 HE1 TYR 108 10.348 -3.358 -3.528 712 HH TYR 108 HH TYR 108 9.290 -4.417 -5.451 713 H ASN 109 H ASN 109 7.477 3.356 -2.679 714 HA ASN 109 HA ASN 109 8.734 5.194 -0.743 715 HB2 ASN 109 HB2 ASN 109 8.052 6.774 -2.269 716 HB3 ASN 109 HB3 ASN 109 6.791 5.729 -2.944 717 HD21 ASN 109 1HD2 ASN 109 4.730 5.847 -2.107 718 HD22 ASN 109 2HD2 ASN 109 4.248 7.037 -0.952 719 H TYR 110 H TYR 110 7.541 5.585 1.192 720 HA TYR 110 HA TYR 110 4.959 4.219 1.385 721 HB2 TYR 110 HB2 TYR 110 5.327 3.326 3.524 722 HB3 TYR 110 HB3 TYR 110 6.791 2.954 2.649 723 HD1 TYR 110 HD1 TYR 110 6.564 6.387 3.928 724 HD2 TYR 110 HD2 TYR 110 7.704 2.401 4.859 725 HE1 TYR 110 HE1 TYR 110 7.839 7.208 5.852 726 HE2 TYR 110 HE2 TYR 110 8.994 3.216 6.778 727 HH TYR 110 HH TYR 110 9.831 5.049 7.810 728 H ILE 111 H ILE 111 3.591 5.220 3.149 729 HA ILE 111 HA ILE 111 4.313 8.037 3.460 730 HB ILE 111 HB ILE 111 1.977 8.707 2.854 731 HG12 ILE 111 2HG1 ILE 111 1.859 5.937 1.638 732 HG13 ILE 111 3HG1 ILE 111 0.976 6.432 3.078 733 HG21 ILE 111 2HG2 ILE 111 2.390 8.649 0.438 734 HG22 ILE 111 1HG2 ILE 111 3.618 7.405 0.678 735 HG23 ILE 111 3HG2 ILE 111 3.866 9.023 1.331 736 HD11 ILE 111 3HD1 ILE 111 -0.177 8.148 1.696 737 HD12 ILE 111 2HD1 ILE 111 -0.497 6.486 1.194 738 HD13 ILE 111 1HD1 ILE 111 0.637 7.479 0.275 739 H HIS 112 H HIS 112 4.016 8.762 5.394 740 HA HIS 112 HA HIS 112 2.167 7.340 7.200 741 HB2 HIS 112 HB2 HIS 112 4.898 8.471 7.630 742 HB3 HIS 112 HB3 HIS 112 3.752 8.552 8.961 743 HD1 HIS 112 HD1 HIS 112 3.158 6.375 10.146 744 HD2 HIS 112 HD2 HIS 112 5.801 5.889 6.971 745 HE1 HIS 112 HE1 HIS 112 4.051 4.033 10.366 746 HE2 HIS 112 HE2 HIS 112 5.863 3.887 8.624 747 H ILE 113 H ILE 113 1.746 8.974 9.171 748 HA ILE 113 HA ILE 113 0.433 11.246 7.939 749 HB ILE 113 HB ILE 113 0.429 10.484 10.872 750 HG12 ILE 113 2HG1 ILE 113 -1.954 9.648 10.213 751 HG13 ILE 113 3HG1 ILE 113 -1.282 9.535 8.592 752 HG21 ILE 113 2HG2 ILE 113 -1.651 11.788 10.934 753 HG22 ILE 113 1HG2 ILE 113 -1.417 12.216 9.238 754 HG23 ILE 113 3HG2 ILE 113 -0.262 12.765 10.454 755 HD11 ILE 113 3HD1 ILE 113 -1.215 7.400 9.764 756 HD12 ILE 113 2HD1 ILE 113 -0.220 8.123 11.027 757 HD13 ILE 113 1HD1 ILE 113 0.405 7.982 9.383 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 -25.170 -6.451 0.735 2 H2 GLY 1 H2 GLY 1 -24.885 -6.574 2.404 3 H3 GLY 1 H3 GLY 1 -24.221 -7.719 1.347 4 HA2 GLY 1 HA2 GLY 1 -22.836 -6.019 0.328 5 HA3 GLY 1 HA1 GLY 1 -23.515 -4.839 1.445 6 H SER 2 H SER 2 -20.897 -4.946 1.568 7 HA SER 2 HA SER 2 -20.360 -6.574 3.964 8 HB2 SER 2 HB2 SER 2 -19.176 -7.443 1.938 9 HB3 SER 2 HB3 SER 2 -18.343 -5.894 1.813 10 HG SER 2 HG SER 2 -18.256 -7.236 4.266 11 H SER 3 H SER 3 -19.528 -3.652 2.135 12 HA SER 3 HA SER 3 -18.272 -2.505 4.513 13 HB2 SER 3 HB2 SER 3 -18.452 -1.447 1.677 14 HB3 SER 3 HB3 SER 3 -17.523 -0.717 2.988 15 HG SER 3 HG SER 3 -17.136 -3.348 1.989 16 H ILE 4 H ILE 4 -21.154 -2.970 4.281 17 HA ILE 4 HA ILE 4 -22.324 -0.325 3.910 18 HB ILE 4 HB ILE 4 -23.665 -2.974 4.495 19 HG12 ILE 4 2HG1 ILE 4 -22.467 -3.008 2.354 20 HG13 ILE 4 3HG1 ILE 4 -24.210 -3.022 2.104 21 HG21 ILE 4 2HG2 ILE 4 -25.718 -1.905 3.747 22 HG22 ILE 4 1HG2 ILE 4 -24.853 -0.389 3.499 23 HG23 ILE 4 3HG2 ILE 4 -25.033 -1.045 5.125 24 HD11 ILE 4 3HD1 ILE 4 -23.128 -1.568 0.511 25 HD12 ILE 4 2HD1 ILE 4 -22.391 -0.643 1.819 26 HD13 ILE 4 1HD1 ILE 4 -24.141 -0.626 1.604 27 H SER 5 H SER 5 -21.153 -2.285 6.422 28 HA SER 5 HA SER 5 -22.980 -1.810 8.486 29 HB2 SER 5 HB2 SER 5 -19.999 -2.238 8.763 30 HB3 SER 5 HB3 SER 5 -21.237 -2.576 9.976 31 HG SER 5 HG SER 5 -22.137 -4.094 8.442 32 H HIS 6 H HIS 6 -19.804 -0.208 8.046 33 HA HIS 6 HA HIS 6 -21.025 2.292 8.992 34 HB2 HIS 6 HB2 HIS 6 -19.864 1.060 10.898 35 HB3 HIS 6 HB3 HIS 6 -18.355 1.302 10.028 36 HD1 HIS 6 HD1 HIS 6 -17.251 3.596 10.186 37 HD2 HIS 6 HD2 HIS 6 -21.025 3.449 11.933 38 HE1 HIS 6 HE1 HIS 6 -17.498 5.752 11.458 39 HE2 HIS 6 HE2 HIS 6 -19.850 5.708 12.369 40 H SER 7 H SER 7 -20.046 1.120 6.419 41 HA SER 7 HA SER 7 -18.777 1.605 4.605 42 HB2 SER 7 HB2 SER 7 -18.381 4.328 5.881 43 HB3 SER 7 HB3 SER 7 -18.258 3.926 4.169 44 HG SER 7 HG SER 7 -20.611 3.142 4.674 45 H GLY 8 H GLY 8 -17.188 0.090 5.186 46 HA2 GLY 8 HA1 GLY 8 -15.083 0.605 6.989 47 HA3 GLY 8 HA2 GLY 8 -15.114 -0.673 5.786 48 H ASN 9 H ASN 9 -15.444 1.299 3.588 49 HA ASN 9 HA ASN 9 -13.018 2.851 3.601 50 HB2 ASN 9 HB2 ASN 9 -12.301 0.462 3.176 51 HB3 ASN 9 HB3 ASN 9 -13.219 0.525 1.680 52 HD21 ASN 9 1HD2 ASN 9 -10.429 0.037 2.048 53 HD22 ASN 9 2HD2 ASN 9 -9.595 1.265 1.165 54 H LEU 10 H LEU 10 -12.875 4.229 1.815 55 HA LEU 10 HA LEU 10 -15.445 4.879 0.633 56 HB2 LEU 10 HB2 LEU 10 -12.786 6.260 0.335 57 HB3 LEU 10 HB3 LEU 10 -14.364 6.927 -0.043 58 HG LEU 10 HG LEU 10 -13.353 6.249 2.722 59 HD11 LEU 10 2HD1 LEU 10 -12.259 8.203 1.802 60 HD12 LEU 10 1HD1 LEU 10 -13.399 8.679 3.060 61 HD13 LEU 10 3HD1 LEU 10 -13.817 8.895 1.360 62 HD21 LEU 10 3HD2 LEU 10 -15.936 7.531 1.840 63 HD22 LEU 10 2HD2 LEU 10 -15.397 7.333 3.507 64 HD23 LEU 10 1HD2 LEU 10 -15.761 5.914 2.524 65 H TYR 11 H TYR 11 -12.529 3.309 -0.215 66 HA TYR 11 HA TYR 11 -12.476 3.984 -2.984 67 HB2 TYR 11 HB2 TYR 11 -10.642 2.984 -1.275 68 HB3 TYR 11 HB3 TYR 11 -11.146 1.495 -2.066 69 HD1 TYR 11 HD1 TYR 11 -9.578 4.789 -2.576 70 HD2 TYR 11 HD2 TYR 11 -10.554 1.049 -4.355 71 HE1 TYR 11 HE1 TYR 11 -8.078 5.295 -4.457 72 HE2 TYR 11 HE2 TYR 11 -9.064 1.550 -6.242 73 HH TYR 11 HH TYR 11 -8.099 3.598 -7.342 74 H THR 12 H THR 12 -12.113 1.667 -4.333 75 HA THR 12 HA THR 12 -14.687 1.028 -5.145 76 HB THR 12 HB THR 12 -12.351 -0.802 -5.615 77 HG1 THR 12 HG1 THR 12 -12.787 1.587 -7.091 78 HG21 THR 12 3HG2 THR 12 -14.495 -1.406 -6.629 79 HG22 THR 12 1HG2 THR 12 -13.320 -0.947 -7.861 80 HG23 THR 12 2HG2 THR 12 -14.589 0.184 -7.388 81 H ALA 13 H ALA 13 -12.630 -1.687 -4.380 82 HA ALA 13 HA ALA 13 -13.741 -2.696 -2.066 83 HB1 ALA 13 HB1 ALA 13 -15.876 -2.768 -3.291 84 HB2 ALA 13 HB2 ALA 13 -15.128 -3.790 -4.518 85 HB3 ALA 13 HB3 ALA 13 -15.314 -4.386 -2.869 86 H GLY 14 H GLY 14 -12.224 -4.100 -1.451 87 HA2 GLY 14 HA1 GLY 14 -10.632 -5.751 -1.513 88 HA3 GLY 14 HA2 GLY 14 -11.477 -6.367 -2.921 89 H GLN 15 H GLN 15 -10.223 -3.151 -3.006 90 HA GLN 15 HA GLN 15 -8.499 -3.835 -5.208 91 HB2 GLN 15 HB2 GLN 15 -9.246 -1.266 -3.840 92 HB3 GLN 15 HB3 GLN 15 -7.948 -1.316 -5.022 93 HG2 GLN 15 HG2 GLN 15 -10.721 -2.296 -5.616 94 HG3 GLN 15 HG3 GLN 15 -10.214 -0.625 -5.869 95 HE21 GLN 15 1HE2 GLN 15 -9.881 -3.909 -6.935 96 HE22 GLN 15 2HE2 GLN 15 -9.032 -3.552 -8.400 97 H CYS 16 H CYS 16 -6.252 -3.165 -5.318 98 HA CYS 16 HA CYS 16 -4.619 -4.013 -3.229 99 HB2 CYS 16 HB2 CYS 16 -3.943 -3.785 -5.630 100 HB3 CYS 16 HB3 CYS 16 -3.898 -2.042 -5.414 101 HG CYS 16 HG CYS 16 -1.926 -2.462 -3.227 102 H THR 17 H THR 17 -5.576 -0.744 -4.224 103 HA THR 17 HA THR 17 -4.212 0.555 -2.054 104 HB THR 17 HB THR 17 -5.568 2.557 -2.819 105 HG1 THR 17 HG1 THR 17 -6.668 2.196 -4.862 106 HG21 THR 17 3HG2 THR 17 -4.029 1.063 -4.945 107 HG22 THR 17 1HG2 THR 17 -3.339 2.133 -3.724 108 HG23 THR 17 2HG2 THR 17 -4.408 2.786 -4.967 109 H TRP 18 H TRP 18 -7.405 -0.708 -2.650 110 HA TRP 18 HA TRP 18 -8.787 0.495 -0.503 111 HB2 TRP 18 HB2 TRP 18 -9.829 -0.630 -2.464 112 HB3 TRP 18 HB3 TRP 18 -9.281 -2.173 -1.837 113 HD1 TRP 18 HD1 TRP 18 -12.012 0.432 -1.428 114 HE1 TRP 18 HE1 TRP 18 -13.846 -0.519 0.114 115 HE3 TRP 18 HE3 TRP 18 -9.585 -3.759 0.250 116 HZ2 TRP 18 HZ2 TRP 18 -14.199 -2.731 1.831 117 HZ3 TRP 18 HZ3 TRP 18 -10.745 -5.231 1.842 118 HH2 TRP 18 HH2 TRP 18 -13.003 -4.727 2.617 119 H TYR 19 H TYR 19 -7.094 -2.620 -0.846 120 HA TYR 19 HA TYR 19 -7.546 -3.624 1.717 121 HB2 TYR 19 HB2 TYR 19 -6.535 -4.927 -0.110 122 HB3 TYR 19 HB3 TYR 19 -5.084 -3.939 -0.013 123 HD1 TYR 19 HD2 TYR 19 -7.142 -6.384 1.868 124 HD2 TYR 19 HD1 TYR 19 -3.365 -4.463 1.525 125 HE1 TYR 19 HE2 TYR 19 -6.207 -7.944 3.520 126 HE2 TYR 19 HE1 TYR 19 -2.420 -6.018 3.179 127 HH TYR 19 HH TYR 19 -4.008 -8.846 4.166 128 H VAL 20 H VAL 20 -4.896 -1.622 0.516 129 HA VAL 20 HA VAL 20 -3.382 -1.408 2.823 130 HB VAL 20 HB VAL 20 -3.811 0.609 0.614 131 HG11 VAL 20 2HG1 VAL 20 -1.672 0.556 2.737 132 HG12 VAL 20 1HG1 VAL 20 -2.987 1.724 2.620 133 HG13 VAL 20 3HG1 VAL 20 -1.746 1.667 1.369 134 HG21 VAL 20 3HG2 VAL 20 -1.671 -0.235 -0.218 135 HG22 VAL 20 2HG2 VAL 20 -2.872 -1.523 -0.110 136 HG23 VAL 20 1HG2 VAL 20 -1.607 -1.391 1.112 137 H TYR 21 H TYR 21 -5.903 0.808 1.668 138 HA TYR 21 HA TYR 21 -5.742 2.628 3.781 139 HB2 TYR 21 HB2 TYR 21 -6.892 3.020 1.604 140 HB3 TYR 21 HB3 TYR 21 -8.189 1.963 2.143 141 HD1 TYR 21 HD2 TYR 21 -6.390 5.081 3.086 142 HD2 TYR 21 HD1 TYR 21 -9.996 2.838 3.289 143 HE1 TYR 21 HE2 TYR 21 -7.513 6.997 4.130 144 HE2 TYR 21 HE1 TYR 21 -11.136 4.739 4.332 145 HH TYR 21 HH TYR 21 -10.597 6.748 5.595 146 H ASP 22 H ASP 22 -7.681 -0.299 3.423 147 HA ASP 22 HA ASP 22 -9.194 0.095 5.804 148 HB2 ASP 22 HB2 ASP 22 -9.983 -1.354 3.990 149 HB3 ASP 22 HB3 ASP 22 -8.631 -2.446 4.258 150 H LYS 23 H LYS 23 -6.209 -1.634 5.040 151 HA LYS 23 HA LYS 23 -5.966 -2.925 7.561 152 HB2 LYS 23 HB2 LYS 23 -3.973 -2.367 5.369 153 HB3 LYS 23 HB3 LYS 23 -3.565 -3.266 6.825 154 HG2 LYS 23 HG2 LYS 23 -5.863 -4.085 5.091 155 HG3 LYS 23 HG3 LYS 23 -4.210 -4.575 4.723 156 HD2 LYS 23 HD2 LYS 23 -5.539 -5.062 7.383 157 HD3 LYS 23 HD3 LYS 23 -5.546 -6.231 6.062 158 HE2 LYS 23 HE2 LYS 23 -3.063 -6.165 6.069 159 HE3 LYS 23 HE3 LYS 23 -3.130 -5.112 7.479 160 HZ1 LYS 23 HZ1 LYS 23 -2.758 -7.476 8.018 161 HZ2 LYS 23 HZ2 LYS 23 -4.286 -7.849 7.381 162 HZ3 LYS 23 HZ3 LYS 23 -4.161 -6.848 8.742 163 H VAL 24 H VAL 24 -4.944 0.214 6.377 164 HA VAL 24 HA VAL 24 -3.342 0.707 8.739 165 HB VAL 24 HB VAL 24 -2.999 2.960 7.864 166 HG11 VAL 24 2HG1 VAL 24 -2.665 0.825 5.763 167 HG12 VAL 24 1HG1 VAL 24 -1.546 1.179 7.080 168 HG13 VAL 24 3HG1 VAL 24 -1.815 2.370 5.808 169 HG21 VAL 24 3HG2 VAL 24 -3.913 3.621 5.690 170 HG22 VAL 24 2HG2 VAL 24 -5.187 3.360 6.879 171 HG23 VAL 24 1HG2 VAL 24 -4.871 2.141 5.642 172 H GLY 25 H GLY 25 -6.538 0.506 8.267 173 HA2 GLY 25 HA1 GLY 25 -8.266 1.020 9.702 174 HA3 GLY 25 HA2 GLY 25 -7.111 1.863 10.720 175 H GLY 26 H GLY 26 -7.381 2.686 7.365 176 HA2 GLY 26 HA1 GLY 26 -8.093 4.597 6.314 177 HA3 GLY 26 HA2 GLY 26 -9.316 4.728 7.572 178 H GLU 27 H GLU 27 -5.991 4.616 8.483 179 HA GLU 27 HA GLU 27 -6.173 7.090 9.851 180 HB2 GLU 27 HB2 GLU 27 -4.691 5.000 10.336 181 HB3 GLU 27 HB3 GLU 27 -3.562 5.756 9.222 182 HG2 GLU 27 HG2 GLU 27 -2.996 6.319 11.493 183 HG3 GLU 27 HG3 GLU 27 -3.529 7.761 10.626 184 H ILE 28 H ILE 28 -4.509 6.057 6.908 185 HA ILE 28 HA ILE 28 -4.410 8.878 6.094 186 HB ILE 28 HB ILE 28 -2.238 8.858 5.458 187 HG12 ILE 28 2HG1 ILE 28 -2.713 7.044 3.739 188 HG13 ILE 28 3HG1 ILE 28 -1.058 7.128 4.338 189 HG21 ILE 28 2HG2 ILE 28 -2.126 6.496 7.321 190 HG22 ILE 28 1HG2 ILE 28 -2.139 8.196 7.795 191 HG23 ILE 28 3HG2 ILE 28 -0.775 7.544 6.887 192 HD11 ILE 28 3HD1 ILE 28 -1.678 5.250 5.909 193 HD12 ILE 28 2HD1 ILE 28 -1.622 4.847 4.190 194 HD13 ILE 28 1HD1 ILE 28 -3.178 5.100 4.990 195 H GLY 29 H GLY 29 -4.797 9.236 3.853 196 HA2 GLY 29 HA1 GLY 29 -4.493 7.914 1.687 197 HA3 GLY 29 HA2 GLY 29 -5.669 6.830 2.407 198 H SER 30 H SER 30 -7.399 6.982 1.291 199 HA SER 30 HA SER 30 -9.183 7.657 0.145 200 HB2 SER 30 HB2 SER 30 -10.424 9.649 0.946 201 HB3 SER 30 HB3 SER 30 -9.965 8.551 2.243 202 HG SER 30 HG SER 30 -9.169 10.285 3.117 203 H THR 31 H THR 31 -7.287 10.658 0.520 204 HA THR 31 HA THR 31 -7.992 11.345 -2.237 205 HB THR 31 HB THR 31 -8.421 13.040 -0.536 206 HG1 THR 31 HG1 THR 31 -6.537 13.484 -2.567 207 HG21 THR 31 3HG2 THR 31 -5.443 12.997 -0.053 208 HG22 THR 31 1HG2 THR 31 -6.683 12.435 1.068 209 HG23 THR 31 2HG2 THR 31 -6.584 14.147 0.647 210 H TRP 32 H TRP 32 -5.831 9.374 -1.282 211 HA TRP 32 HA TRP 32 -3.390 10.589 -2.233 212 HB2 TRP 32 HB2 TRP 32 -2.354 8.416 -1.867 213 HB3 TRP 32 HB3 TRP 32 -3.283 8.909 -0.459 214 HD1 TRP 32 HD1 TRP 32 -5.103 7.356 -3.426 215 HE1 TRP 32 HE1 TRP 32 -5.977 5.065 -2.764 216 HE3 TRP 32 HE3 TRP 32 -2.772 6.943 1.073 217 HZ2 TRP 32 HZ2 TRP 32 -5.730 3.264 -0.565 218 HZ3 TRP 32 HZ3 TRP 32 -3.142 4.899 2.414 219 HH2 TRP 32 HH2 TRP 32 -4.589 3.101 1.608 220 H GLY 33 H GLY 33 -6.057 9.472 -3.775 221 HA2 GLY 33 HA1 GLY 33 -6.357 9.359 -6.086 222 HA3 GLY 33 HA2 GLY 33 -4.606 9.393 -6.261 223 H ASN 34 H ASN 34 -4.050 7.698 -7.402 224 HA ASN 34 HA ASN 34 -5.022 5.079 -6.492 225 HB2 ASN 34 HB2 ASN 34 -3.740 5.685 -9.167 226 HB3 ASN 34 HB3 ASN 34 -4.502 4.184 -8.656 227 HD21 ASN 34 1HD2 ASN 34 -6.777 5.476 -7.401 228 HD22 ASN 34 2HD2 ASN 34 -7.761 6.082 -8.690 229 H ALA 35 H ALA 35 -3.086 3.433 -7.390 230 HA ALA 35 HA ALA 35 -1.220 3.735 -5.319 231 HB1 ALA 35 HB1 ALA 35 -0.189 1.722 -6.192 232 HB2 ALA 35 HB2 ALA 35 -1.949 1.577 -6.176 233 HB3 ALA 35 HB3 ALA 35 -1.105 1.892 -7.691 234 H ASN 36 H ASN 36 -0.877 4.283 -8.832 235 HA ASN 36 HA ASN 36 1.928 4.940 -8.487 236 HB2 ASN 36 HB2 ASN 36 2.023 5.212 -10.882 237 HB3 ASN 36 HB3 ASN 36 1.138 3.736 -10.517 238 HD21 ASN 36 1HD2 ASN 36 1.097 5.243 -12.932 239 HD22 ASN 36 2HD2 ASN 36 -0.537 5.767 -13.179 240 H ASN 37 H ASN 37 -0.688 6.587 -7.693 241 HA ASN 37 HA ASN 37 0.499 9.191 -8.425 242 HB2 ASN 37 HB2 ASN 37 -1.806 8.780 -9.320 243 HB3 ASN 37 HB3 ASN 37 -2.382 8.607 -7.667 244 HD21 ASN 37 1HD2 ASN 37 -3.804 10.323 -7.868 245 HD22 ASN 37 2HD2 ASN 37 -3.278 11.967 -7.929 246 H TRP 38 H TRP 38 0.527 7.034 -6.106 247 HA TRP 38 HA TRP 38 -0.525 8.091 -3.786 248 HB2 TRP 38 HB2 TRP 38 1.370 6.008 -4.464 249 HB3 TRP 38 HB3 TRP 38 1.783 6.808 -2.944 250 HD1 TRP 38 HD1 TRP 38 -1.763 5.953 -4.243 251 HE1 TRP 38 HE1 TRP 38 -2.897 4.525 -2.462 252 HE3 TRP 38 HE3 TRP 38 2.171 5.464 -1.050 253 HZ2 TRP 38 HZ2 TRP 38 -2.180 3.310 0.049 254 HZ3 TRP 38 HZ3 TRP 38 1.885 4.158 1.005 255 HH2 TRP 38 HH2 TRP 38 -0.240 3.103 1.539 256 H ALA 39 H ALA 39 2.945 8.181 -4.622 257 HA ALA 39 HA ALA 39 3.761 9.655 -2.447 258 HB1 ALA 39 HB1 ALA 39 5.790 10.136 -3.661 259 HB2 ALA 39 HB2 ALA 39 5.265 8.490 -4.015 260 HB3 ALA 39 HB3 ALA 39 4.997 9.774 -5.195 261 H ALA 40 H ALA 40 2.416 10.830 -5.467 262 HA ALA 40 HA ALA 40 3.033 13.578 -4.945 263 HB1 ALA 40 HB1 ALA 40 2.802 12.736 -7.226 264 HB2 ALA 40 HB2 ALA 40 1.104 12.369 -6.923 265 HB3 ALA 40 HB3 ALA 40 1.662 14.043 -6.907 266 H ALA 41 H ALA 41 0.020 11.655 -4.871 267 HA ALA 41 HA ALA 41 -1.562 13.859 -3.984 268 HB1 ALA 41 HB1 ALA 41 -3.369 12.283 -3.818 269 HB2 ALA 41 HB2 ALA 41 -2.459 11.972 -5.296 270 HB3 ALA 41 HB3 ALA 41 -2.249 10.922 -3.892 271 H ALA 42 H ALA 42 -0.023 11.131 -2.373 272 HA ALA 42 HA ALA 42 -0.986 11.417 0.216 273 HB1 ALA 42 HB1 ALA 42 0.435 9.569 -0.362 274 HB2 ALA 42 HB2 ALA 42 1.770 10.655 -0.760 275 HB3 ALA 42 HB3 ALA 42 1.232 10.494 0.910 276 H GLN 43 H GLN 43 1.900 12.972 -1.242 277 HA GLN 43 HA GLN 43 2.433 14.621 1.002 278 HB2 GLN 43 HB2 GLN 43 3.291 14.869 -1.885 279 HB3 GLN 43 HB3 GLN 43 3.886 15.902 -0.590 280 HG2 GLN 43 HG2 GLN 43 4.793 13.954 0.558 281 HG3 GLN 43 HG3 GLN 43 4.190 12.910 -0.729 282 HE21 GLN 43 1HE2 GLN 43 5.187 12.961 -2.742 283 HE22 GLN 43 2HE2 GLN 43 6.787 13.604 -2.954 284 H GLY 44 H GLY 44 0.439 15.000 -1.843 285 HA2 GLY 44 HA1 GLY 44 -0.139 17.753 -1.558 286 HA3 GLY 44 HA2 GLY 44 -1.154 16.569 -2.373 287 H ALA 45 H ALA 45 -1.410 14.884 -0.017 288 HA ALA 45 HA ALA 45 -3.538 16.316 1.321 289 HB1 ALA 45 HB1 ALA 45 -4.049 14.202 2.371 290 HB2 ALA 45 HB2 ALA 45 -3.786 13.954 0.645 291 HB3 ALA 45 HB3 ALA 45 -2.528 13.513 1.799 292 H GLY 46 H GLY 46 -0.234 15.557 1.886 293 HA2 GLY 46 HA1 GLY 46 0.915 16.925 3.535 294 HA3 GLY 46 HA2 GLY 46 -0.482 16.728 4.580 295 H PHE 47 H PHE 47 0.850 14.054 2.757 296 HA PHE 47 HA PHE 47 1.527 12.710 5.257 297 HB2 PHE 47 HB2 PHE 47 1.584 11.684 2.409 298 HB3 PHE 47 HB3 PHE 47 1.871 10.713 3.845 299 HD1 PHE 47 HD2 PHE 47 -0.607 12.793 4.932 300 HD2 PHE 47 HD1 PHE 47 -0.008 9.634 2.145 301 HE1 PHE 47 HE2 PHE 47 -3.013 12.275 4.995 302 HE2 PHE 47 HE1 PHE 47 -2.402 9.107 2.200 303 HZ PHE 47 HZ PHE 47 -3.909 10.439 3.619 304 H THR 48 H THR 48 3.581 11.663 5.540 305 HA THR 48 HA THR 48 5.787 13.193 4.339 306 HB THR 48 HB THR 48 6.095 11.229 6.600 307 HG1 THR 48 HG1 THR 48 4.362 12.862 7.019 308 HG21 THR 48 3HG2 THR 48 7.918 12.760 7.224 309 HG22 THR 48 1HG2 THR 48 7.534 13.772 5.831 310 HG23 THR 48 2HG2 THR 48 8.119 12.125 5.592 311 H VAL 49 H VAL 49 6.186 12.128 2.361 312 HA VAL 49 HA VAL 49 6.501 9.229 2.529 313 HB VAL 49 HB VAL 49 5.990 9.008 0.351 314 HG11 VAL 49 2HG1 VAL 49 4.149 10.270 1.292 315 HG12 VAL 49 1HG1 VAL 49 4.356 10.635 -0.422 316 HG13 VAL 49 3HG1 VAL 49 4.915 11.780 0.798 317 HG21 VAL 49 3HG2 VAL 49 6.527 10.648 -1.445 318 HG22 VAL 49 2HG2 VAL 49 7.938 10.006 -0.598 319 HG23 VAL 49 1HG2 VAL 49 7.350 11.629 -0.230 320 H ASN 50 H ASN 50 8.377 8.299 2.630 321 HA ASN 50 HA ASN 50 10.746 9.689 1.573 322 HB2 ASN 50 HB2 ASN 50 10.808 7.560 3.727 323 HB3 ASN 50 HB3 ASN 50 12.117 8.620 3.231 324 HD21 ASN 50 1HD2 ASN 50 10.949 8.075 5.848 325 HD22 ASN 50 2HD2 ASN 50 10.481 9.612 6.478 326 H HIS 51 H HIS 51 12.007 6.902 2.213 327 HA HIS 51 HA HIS 51 10.407 5.064 0.752 328 HB2 HIS 51 HB2 HIS 51 12.169 4.599 -1.036 329 HB3 HIS 51 HB3 HIS 51 11.236 6.074 -1.231 330 HD1 HIS 51 HD1 HIS 51 12.505 8.310 -1.124 331 HD2 HIS 51 HD2 HIS 51 14.908 4.973 -0.454 332 HE1 HIS 51 HE1 HIS 51 14.877 9.138 -1.256 333 HE2 HIS 51 HE2 HIS 51 16.315 7.089 -0.954 334 H THR 52 H THR 52 10.648 4.032 2.743 335 HA THR 52 HA THR 52 12.778 2.114 2.810 336 HB THR 52 HB THR 52 12.540 4.094 5.102 337 HG1 THR 52 HG1 THR 52 14.047 4.115 2.895 338 HG21 THR 52 3HG2 THR 52 14.383 2.825 6.123 339 HG22 THR 52 1HG2 THR 52 14.295 1.651 4.810 340 HG23 THR 52 2HG2 THR 52 12.940 1.832 5.924 341 HA PRO 53 HA PRO 53 8.865 0.215 3.986 342 HB2 PRO 53 HB2 PRO 53 9.954 -2.279 4.474 343 HB3 PRO 53 HB3 PRO 53 9.442 -1.696 2.885 344 HG2 PRO 53 HG2 PRO 53 12.180 -1.705 4.105 345 HG3 PRO 53 HG3 PRO 53 11.686 -2.153 2.460 346 HD2 PRO 53 HD2 PRO 53 12.785 0.216 2.910 347 HD3 PRO 53 HD3 PRO 53 11.390 0.072 1.812 348 H SER 54 H SER 54 7.880 -0.596 5.847 349 HA SER 54 HA SER 54 9.314 -0.996 8.284 350 HB2 SER 54 HB2 SER 54 7.620 1.511 7.993 351 HB3 SER 54 HB3 SER 54 8.316 0.917 9.499 352 HG SER 54 HG SER 54 10.263 1.103 7.679 353 H LYS 55 H LYS 55 7.978 -1.922 9.845 354 HA LYS 55 HA LYS 55 5.640 -3.214 8.946 355 HB2 LYS 55 HB2 LYS 55 7.102 -4.012 10.800 356 HB3 LYS 55 HB3 LYS 55 6.506 -2.697 11.799 357 HG2 LYS 55 HG2 LYS 55 4.302 -3.605 11.808 358 HG3 LYS 55 HG3 LYS 55 4.750 -4.822 10.610 359 HD2 LYS 55 HD2 LYS 55 4.711 -5.876 12.750 360 HD3 LYS 55 HD3 LYS 55 6.397 -5.722 12.253 361 HE2 LYS 55 HE2 LYS 55 6.281 -5.115 14.547 362 HE3 LYS 55 HE3 LYS 55 6.505 -3.625 13.631 363 HZ1 LYS 55 HZ1 LYS 55 4.152 -3.169 13.826 364 HZ2 LYS 55 HZ2 LYS 55 4.825 -3.398 15.366 365 HZ3 LYS 55 HZ3 LYS 55 3.902 -4.629 14.654 366 H GLY 56 H GLY 56 3.721 -2.320 8.555 367 HA2 GLY 56 HA1 GLY 56 1.751 -1.203 9.342 368 HA3 GLY 56 HA2 GLY 56 2.776 -0.174 10.335 369 H ALA 57 H ALA 57 4.359 -0.401 7.501 370 HA ALA 57 HA ALA 57 3.180 2.106 6.523 371 HB1 ALA 57 HB1 ALA 57 5.275 2.420 5.322 372 HB2 ALA 57 HB2 ALA 57 5.566 2.167 7.044 373 HB3 ALA 57 HB3 ALA 57 5.852 0.855 5.898 374 H ILE 58 H ILE 58 4.075 2.061 3.894 375 HA ILE 58 HA ILE 58 2.825 -0.320 2.725 376 HB ILE 58 HB ILE 58 2.122 2.460 1.775 377 HG12 ILE 58 2HG1 ILE 58 -0.224 1.658 2.708 378 HG13 ILE 58 3HG1 ILE 58 0.777 0.715 3.799 379 HG21 ILE 58 2HG2 ILE 58 1.986 0.732 0.083 380 HG22 ILE 58 1HG2 ILE 58 0.373 1.299 0.514 381 HG23 ILE 58 3HG2 ILE 58 0.960 -0.247 1.132 382 HD11 ILE 58 3HD1 ILE 58 1.872 2.772 4.556 383 HD12 ILE 58 2HD1 ILE 58 0.128 2.807 4.820 384 HD13 ILE 58 1HD1 ILE 58 0.835 3.706 3.478 385 H LEU 59 H LEU 59 3.688 -0.942 0.780 386 HA LEU 59 HA LEU 59 6.136 0.461 -0.009 387 HB2 LEU 59 HB2 LEU 59 6.031 -2.037 0.560 388 HB3 LEU 59 HB3 LEU 59 5.178 -2.246 -0.958 389 HG LEU 59 HG LEU 59 7.653 -2.763 -1.020 390 HD11 LEU 59 2HD1 LEU 59 6.382 -2.338 -3.042 391 HD12 LEU 59 1HD1 LEU 59 8.019 -1.698 -3.167 392 HD13 LEU 59 3HD1 LEU 59 6.668 -0.607 -2.865 393 HD21 LEU 59 3HD2 LEU 59 7.915 0.225 -0.814 394 HD22 LEU 59 2HD2 LEU 59 9.212 -0.937 -1.078 395 HD23 LEU 59 1HD2 LEU 59 8.342 -0.923 0.456 396 H GLN 60 H GLN 60 6.333 1.504 -1.908 397 HA GLN 60 HA GLN 60 4.050 1.403 -3.781 398 HB2 GLN 60 HB2 GLN 60 3.838 3.575 -3.246 399 HB3 GLN 60 HB3 GLN 60 5.367 3.588 -2.389 400 HG2 GLN 60 HG2 GLN 60 5.574 5.223 -4.035 401 HG3 GLN 60 HG3 GLN 60 6.476 3.841 -4.662 402 HE21 GLN 60 1HE2 GLN 60 3.004 3.942 -4.648 403 HE22 GLN 60 2HE2 GLN 60 2.798 4.119 -6.352 404 H SER 61 H SER 61 4.385 0.960 -5.794 405 HA SER 61 HA SER 61 7.047 1.313 -6.977 406 HB2 SER 61 HB2 SER 61 6.673 -1.101 -6.440 407 HB3 SER 61 HB3 SER 61 5.233 -1.067 -7.457 408 HG SER 61 HG SER 61 7.685 -0.224 -8.534 409 H SER 62 H SER 62 6.972 1.693 -9.282 410 HA SER 62 HA SER 62 4.848 3.428 -9.987 411 HB2 SER 62 HB2 SER 62 7.007 2.258 -11.758 412 HB3 SER 62 HB3 SER 62 6.014 3.670 -12.125 413 HG SER 62 HG SER 62 7.217 3.883 -9.698 414 H GLU 63 H GLU 63 5.926 0.529 -11.769 415 HA GLU 63 HA GLU 63 4.820 -1.000 -13.011 416 HB2 GLU 63 HB2 GLU 63 2.712 -0.388 -10.948 417 HB3 GLU 63 HB3 GLU 63 2.488 -1.623 -12.180 418 HG2 GLU 63 HG2 GLU 63 4.797 -1.578 -10.258 419 HG3 GLU 63 HG3 GLU 63 3.299 -2.465 -9.978 420 H GLY 64 H GLY 64 2.296 -1.279 -13.987 421 HA2 GLY 64 HA1 GLY 64 2.195 1.061 -15.761 422 HA3 GLY 64 HA2 GLY 64 1.749 -0.572 -16.211 423 HA PRO 65 HA PRO 65 -2.467 -0.370 -15.748 424 HB2 PRO 65 HB2 PRO 65 -3.120 -1.480 -13.235 425 HB3 PRO 65 HB3 PRO 65 -3.053 -2.316 -14.786 426 HG2 PRO 65 HG2 PRO 65 -1.027 -2.177 -12.617 427 HG3 PRO 65 HG3 PRO 65 -1.369 -3.488 -13.761 428 HD2 PRO 65 HD2 PRO 65 0.797 -1.933 -14.021 429 HD3 PRO 65 HD3 PRO 65 -0.099 -2.514 -15.444 430 H PHE 66 H PHE 66 -1.693 0.067 -12.285 431 HA PHE 66 HA PHE 66 -2.713 2.789 -12.401 432 HB2 PHE 66 HB2 PHE 66 -4.381 2.479 -10.694 433 HB3 PHE 66 HB3 PHE 66 -4.696 1.327 -11.986 434 HD1 PHE 66 HD2 PHE 66 -3.758 -1.055 -11.653 435 HD2 PHE 66 HD1 PHE 66 -4.246 1.765 -8.509 436 HE1 PHE 66 HE2 PHE 66 -3.734 -2.889 -10.010 437 HE2 PHE 66 HE1 PHE 66 -4.227 -0.059 -6.859 438 HZ PHE 66 HZ PHE 66 -3.969 -2.392 -7.609 439 H GLY 67 H GLY 67 -0.280 1.025 -11.669 440 HA2 GLY 67 HA1 GLY 67 1.537 1.724 -10.329 441 HA3 GLY 67 HA2 GLY 67 0.398 2.528 -9.258 442 H HIS 68 H HIS 68 2.007 1.277 -7.786 443 HA HIS 68 HA HIS 68 0.574 -1.147 -6.970 444 HB2 HIS 68 HB2 HIS 68 2.761 -1.555 -8.389 445 HB3 HIS 68 HB3 HIS 68 3.559 -1.140 -6.864 446 HD1 HIS 68 HD1 HIS 68 2.490 -3.998 -8.645 447 HD2 HIS 68 HD2 HIS 68 2.262 -2.819 -4.666 448 HE1 HIS 68 HE1 HIS 68 2.105 -6.111 -7.326 449 HE2 HIS 68 HE2 HIS 68 1.673 -5.314 -4.968 450 H VAL 69 H VAL 69 -0.139 -0.406 -4.970 451 HA VAL 69 HA VAL 69 2.092 0.102 -3.135 452 HB VAL 69 HB VAL 69 0.553 1.443 -1.709 453 HG11 VAL 69 2HG1 VAL 69 0.745 3.468 -3.065 454 HG12 VAL 69 1HG1 VAL 69 1.032 2.484 -4.499 455 HG13 VAL 69 3HG1 VAL 69 2.205 2.484 -3.182 456 HG21 VAL 69 3HG2 VAL 69 -1.223 1.339 -4.145 457 HG22 VAL 69 2HG2 VAL 69 -1.450 2.413 -2.764 458 HG23 VAL 69 1HG2 VAL 69 -1.585 0.666 -2.555 459 H ALA 70 H ALA 70 2.375 -1.519 -1.847 460 HA ALA 70 HA ALA 70 0.048 -3.146 -1.054 461 HB1 ALA 70 HB1 ALA 70 1.566 -5.034 -0.832 462 HB2 ALA 70 HB2 ALA 70 1.651 -4.364 -2.462 463 HB3 ALA 70 HB3 ALA 70 2.927 -4.013 -1.295 464 H TYR 71 H TYR 71 -0.334 -3.395 1.072 465 HA TYR 71 HA TYR 71 0.972 -1.590 2.846 466 HB2 TYR 71 HB2 TYR 71 -1.344 -1.865 3.184 467 HB3 TYR 71 HB3 TYR 71 -1.226 -3.625 3.170 468 HD1 TYR 71 HD2 TYR 71 -0.386 -0.604 5.159 469 HD2 TYR 71 HD1 TYR 71 -0.905 -4.829 5.156 470 HE1 TYR 71 HE2 TYR 71 -0.233 -0.613 7.613 471 HE2 TYR 71 HE1 TYR 71 -0.755 -4.848 7.614 472 HH TYR 71 HH TYR 71 -0.900 -1.998 9.498 473 H VAL 72 H VAL 72 2.621 -1.920 4.125 474 HA VAL 72 HA VAL 72 3.994 -4.471 4.045 475 HB VAL 72 HB VAL 72 4.820 -1.971 5.522 476 HG11 VAL 72 2HG1 VAL 72 6.038 -3.961 6.158 477 HG12 VAL 72 1HG1 VAL 72 7.082 -2.871 5.245 478 HG13 VAL 72 3HG1 VAL 72 6.410 -4.304 4.467 479 HG21 VAL 72 3HG2 VAL 72 6.117 -1.330 3.561 480 HG22 VAL 72 2HG2 VAL 72 4.394 -1.396 3.184 481 HG23 VAL 72 1HG2 VAL 72 5.465 -2.702 2.663 482 H GLU 73 H GLU 73 3.513 -5.990 5.496 483 HA GLU 73 HA GLU 73 2.262 -5.186 7.996 484 HB2 GLU 73 HB2 GLU 73 2.656 -7.925 6.783 485 HB3 GLU 73 HB3 GLU 73 1.861 -7.624 8.322 486 HG2 GLU 73 HG2 GLU 73 0.294 -6.096 6.987 487 HG3 GLU 73 HG3 GLU 73 0.946 -6.908 5.566 488 H SER 74 H SER 74 5.350 -6.083 6.849 489 HA SER 74 HA SER 74 6.593 -5.776 9.334 490 HB2 SER 74 HB2 SER 74 7.290 -8.144 9.759 491 HB3 SER 74 HB3 SER 74 5.562 -7.871 9.982 492 HG SER 74 HG SER 74 5.252 -9.362 8.547 493 H VAL 75 H VAL 75 8.771 -5.585 9.110 494 HA VAL 75 HA VAL 75 9.980 -6.505 6.590 495 HB VAL 75 HB VAL 75 11.209 -4.729 8.718 496 HG11 VAL 75 2HG1 VAL 75 12.833 -5.994 7.375 497 HG12 VAL 75 1HG1 VAL 75 12.915 -4.264 7.042 498 HG13 VAL 75 3HG1 VAL 75 12.113 -5.344 5.900 499 HG21 VAL 75 3HG2 VAL 75 9.975 -3.974 6.068 500 HG22 VAL 75 2HG2 VAL 75 10.834 -2.878 7.150 501 HG23 VAL 75 1HG2 VAL 75 9.316 -3.613 7.662 502 H ASN 76 H ASN 76 11.258 -8.262 6.608 503 HA ASN 76 HA ASN 76 11.189 -9.851 9.000 504 HB2 ASN 76 HB2 ASN 76 12.403 -10.478 6.306 505 HB3 ASN 76 HB3 ASN 76 12.123 -11.634 7.601 506 HD21 ASN 76 1HD2 ASN 76 11.129 -11.572 4.862 507 HD22 ASN 76 2HD2 ASN 76 9.400 -11.598 4.981 508 H SER 77 H SER 77 13.080 -11.011 9.810 509 HA SER 77 HA SER 77 15.128 -9.211 10.534 510 HB2 SER 77 HB2 SER 77 16.149 -11.384 11.495 511 HB3 SER 77 HB3 SER 77 14.591 -10.846 12.128 512 HG SER 77 HG SER 77 15.224 -13.098 10.681 513 H ASP 78 H ASP 78 14.806 -11.364 7.868 514 HA ASP 78 HA ASP 78 17.671 -11.552 7.415 515 HB2 ASP 78 HB2 ASP 78 15.291 -12.636 5.914 516 HB3 ASP 78 HB3 ASP 78 16.940 -12.789 5.318 517 H GLY 79 H GLY 79 15.561 -9.143 6.996 518 HA2 GLY 79 HA1 GLY 79 16.085 -7.115 5.935 519 HA3 GLY 79 HA2 GLY 79 17.215 -7.975 4.900 520 H SER 80 H SER 80 14.446 -9.744 4.907 521 HA SER 80 HA SER 80 13.573 -8.586 2.384 522 HB2 SER 80 HB2 SER 80 12.101 -10.691 2.380 523 HB3 SER 80 HB3 SER 80 13.844 -10.931 2.245 524 HG SER 80 HG SER 80 13.567 -12.210 3.885 525 H VAL 81 H VAL 81 11.418 -7.900 2.026 526 HA VAL 81 HA VAL 81 10.051 -7.163 4.529 527 HB VAL 81 HB VAL 81 9.930 -5.836 1.819 528 HG11 VAL 81 2HG1 VAL 81 7.827 -5.588 3.000 529 HG12 VAL 81 1HG1 VAL 81 8.697 -4.053 2.974 530 HG13 VAL 81 3HG1 VAL 81 8.678 -5.032 4.441 531 HG21 VAL 81 3HG2 VAL 81 11.144 -4.008 2.958 532 HG22 VAL 81 2HG2 VAL 81 12.067 -5.508 2.888 533 HG23 VAL 81 1HG2 VAL 81 11.279 -5.031 4.390 534 H THR 82 H THR 82 8.025 -7.820 4.920 535 HA THR 82 HA THR 82 6.709 -9.466 2.887 536 HB THR 82 HB THR 82 6.105 -9.166 5.840 537 HG1 THR 82 HG1 THR 82 7.760 -10.483 5.961 538 HG21 THR 82 3HG2 THR 82 4.666 -11.127 5.540 539 HG22 THR 82 1HG2 THR 82 4.996 -11.111 3.807 540 HG23 THR 82 2HG2 THR 82 4.111 -9.778 4.551 541 H ILE 83 H ILE 83 5.303 -8.451 1.635 542 HA ILE 83 HA ILE 83 3.677 -6.291 2.809 543 HB ILE 83 HB ILE 83 3.413 -5.395 0.520 544 HG12 ILE 83 2HG1 ILE 83 5.558 -7.389 -0.240 545 HG13 ILE 83 3HG1 ILE 83 3.858 -7.543 -0.668 546 HG21 ILE 83 2HG2 ILE 83 5.102 -4.465 2.003 547 HG22 ILE 83 1HG2 ILE 83 5.652 -4.431 0.328 548 HG23 ILE 83 3HG2 ILE 83 6.273 -5.655 1.435 549 HD11 ILE 83 3HD1 ILE 83 4.005 -5.467 -1.955 550 HD12 ILE 83 2HD1 ILE 83 5.144 -6.685 -2.526 551 HD13 ILE 83 1HD1 ILE 83 5.715 -5.340 -1.540 552 H SER 84 H SER 84 1.493 -6.253 2.407 553 HA SER 84 HA SER 84 0.381 -8.587 1.008 554 HB2 SER 84 HB2 SER 84 -0.625 -7.370 3.591 555 HB3 SER 84 HB3 SER 84 -1.411 -8.676 2.706 556 HG SER 84 HG SER 84 0.256 -9.056 4.569 557 H GLU 85 H GLU 85 -1.324 -8.228 -0.264 558 HA GLU 85 HA GLU 85 -2.650 -5.633 -0.291 559 HB2 GLU 85 HB2 GLU 85 -2.348 -5.511 -2.785 560 HB3 GLU 85 HB3 GLU 85 -0.866 -5.276 -1.866 561 HG2 GLU 85 HG2 GLU 85 -0.384 -7.717 -2.245 562 HG3 GLU 85 HG3 GLU 85 -1.731 -7.717 -3.381 563 H MET 86 H MET 86 -4.484 -5.774 -2.077 564 HA MET 86 HA MET 86 -5.593 -8.502 -1.996 565 HB2 MET 86 HB2 MET 86 -6.664 -6.900 -0.338 566 HB3 MET 86 HB3 MET 86 -7.266 -6.008 -1.726 567 HG2 MET 86 HG2 MET 86 -9.031 -7.394 -1.159 568 HG3 MET 86 HG3 MET 86 -8.260 -8.226 -2.498 569 HE1 MET 86 HE1 MET 86 -9.268 -8.297 1.206 570 HE2 MET 86 HE2 MET 86 -8.224 -9.533 1.908 571 HE3 MET 86 HE3 MET 86 -7.545 -7.982 1.415 572 H ASN 87 H ASN 87 -6.113 -9.254 -3.905 573 HA ASN 87 HA ASN 87 -6.771 -9.455 -6.062 574 HB2 ASN 87 HB2 ASN 87 -8.762 -8.276 -5.597 575 HB3 ASN 87 HB3 ASN 87 -7.922 -6.734 -5.491 576 HD21 ASN 87 1HD2 ASN 87 -7.547 -5.572 -7.325 577 HD22 ASN 87 2HD2 ASN 87 -8.157 -6.017 -8.879 578 H TYR 88 H TYR 88 -5.442 -6.202 -5.550 579 HA TYR 88 HA TYR 88 -3.941 -4.955 -6.679 580 HB2 TYR 88 HB2 TYR 88 -2.418 -6.859 -6.409 581 HB3 TYR 88 HB3 TYR 88 -3.061 -7.595 -7.872 582 HD1 TYR 88 HD2 TYR 88 -2.294 -3.991 -7.447 583 HD2 TYR 88 HD1 TYR 88 -1.074 -7.700 -9.146 584 HE1 TYR 88 HE2 TYR 88 -0.604 -2.813 -8.788 585 HE2 TYR 88 HE1 TYR 88 0.621 -6.531 -10.489 586 HH TYR 88 HH TYR 88 1.170 -4.400 -11.312 587 H SER 89 H SER 89 -4.332 -7.332 -9.268 588 HA SER 89 HA SER 89 -6.257 -5.670 -10.642 589 HB2 SER 89 HB2 SER 89 -4.797 -5.480 -12.686 590 HB3 SER 89 HB3 SER 89 -4.255 -4.520 -11.312 591 HG SER 89 HG SER 89 -3.111 -6.907 -11.111 592 H GLY 90 H GLY 90 -5.785 -8.470 -9.589 593 HA2 GLY 90 HA1 GLY 90 -6.302 -9.918 -12.112 594 HA3 GLY 90 HA2 GLY 90 -5.320 -10.594 -10.823 595 H GLY 91 H GLY 91 -6.309 -11.414 -8.978 596 HA2 GLY 91 HA1 GLY 91 -9.136 -12.082 -9.424 597 HA3 GLY 91 HA2 GLY 91 -8.002 -13.022 -8.465 598 HA PRO 92 HA PRO 92 -10.294 -9.320 -6.122 599 HB2 PRO 92 HB2 PRO 92 -12.726 -11.025 -6.134 600 HB3 PRO 92 HB3 PRO 92 -12.576 -9.268 -6.271 601 HG2 PRO 92 HG2 PRO 92 -13.168 -10.741 -8.406 602 HG3 PRO 92 HG3 PRO 92 -12.064 -9.357 -8.534 603 HD2 PRO 92 HD2 PRO 92 -11.432 -12.280 -8.438 604 HD3 PRO 92 HD3 PRO 92 -10.701 -10.999 -9.428 605 H PHE 93 H PHE 93 -9.858 -9.432 -4.054 606 HA PHE 93 HA PHE 93 -9.486 -10.130 -1.956 607 HB2 PHE 93 HB2 PHE 93 -11.484 -12.252 -2.701 608 HB3 PHE 93 HB3 PHE 93 -10.729 -12.155 -1.110 609 HD1 PHE 93 HD1 PHE 93 -11.012 -10.004 0.207 610 HD2 PHE 93 HD2 PHE 93 -13.367 -10.971 -3.201 611 HE1 PHE 93 HE1 PHE 93 -12.720 -8.390 0.936 612 HE2 PHE 93 HE2 PHE 93 -15.080 -9.355 -2.481 613 HZ PHE 93 HZ PHE 93 -14.756 -8.065 -0.409 614 H SER 94 H SER 94 -8.000 -11.336 -4.399 615 HA SER 94 HA SER 94 -6.731 -13.580 -3.128 616 HB2 SER 94 HB2 SER 94 -5.723 -11.766 -5.345 617 HB3 SER 94 HB3 SER 94 -4.928 -13.254 -4.810 618 HG SER 94 HG SER 94 -7.508 -12.988 -5.995 619 H VAL 95 H VAL 95 -6.208 -12.937 -1.050 620 HA VAL 95 HA VAL 95 -4.827 -10.581 -0.416 621 HB VAL 95 HB VAL 95 -4.687 -13.224 1.046 622 HG11 VAL 95 2HG1 VAL 95 -2.910 -11.694 1.707 623 HG12 VAL 95 1HG1 VAL 95 -4.100 -11.868 2.998 624 HG13 VAL 95 3HG1 VAL 95 -4.098 -10.421 1.989 625 HG21 VAL 95 3HG2 VAL 95 -6.439 -12.206 2.500 626 HG22 VAL 95 2HG2 VAL 95 -6.981 -12.555 0.857 627 HG23 VAL 95 1HG2 VAL 95 -6.586 -10.900 1.322 628 H SER 96 H SER 96 -3.124 -10.137 -1.685 629 HA SER 96 HA SER 96 -1.369 -12.268 -2.544 630 HB2 SER 96 HB2 SER 96 -1.288 -9.330 -3.255 631 HB3 SER 96 HB3 SER 96 -0.473 -10.647 -4.100 632 HG SER 96 HG SER 96 -3.279 -10.633 -3.763 633 H SER 97 H SER 97 0.033 -12.862 -1.092 634 HA SER 97 HA SER 97 1.492 -10.873 0.482 635 HB2 SER 97 HB2 SER 97 0.606 -12.957 1.570 636 HB3 SER 97 HB3 SER 97 1.704 -13.898 0.564 637 HG SER 97 HG SER 97 3.111 -13.563 2.075 638 H ARG 98 H ARG 98 3.530 -10.245 -0.017 639 HA ARG 98 HA ARG 98 5.081 -11.842 -1.920 640 HB2 ARG 98 HB2 ARG 98 3.562 -10.014 -3.022 641 HB3 ARG 98 HB3 ARG 98 4.781 -8.900 -2.420 642 HG2 ARG 98 HG2 ARG 98 6.496 -10.101 -3.680 643 HG3 ARG 98 HG3 ARG 98 5.264 -11.207 -4.290 644 HD2 ARG 98 HD2 ARG 98 5.284 -8.223 -4.735 645 HD3 ARG 98 HD3 ARG 98 5.840 -9.419 -5.902 646 HE ARG 98 HE ARG 98 3.608 -10.103 -6.240 647 HH11 ARG 98 2HH1 ARG 98 3.851 -7.524 -3.899 648 HH12 ARG 98 1HH1 ARG 98 2.195 -7.017 -4.071 649 HH21 ARG 98 2HH2 ARG 98 1.434 -9.412 -6.536 650 HH22 ARG 98 1HH2 ARG 98 0.826 -8.071 -5.592 651 H THR 99 H THR 99 7.347 -10.948 -2.152 652 HA THR 99 HA THR 99 8.187 -9.838 0.441 653 HB THR 99 HB THR 99 9.717 -11.798 -1.279 654 HG1 THR 99 HG1 THR 99 8.341 -12.293 1.174 655 HG21 THR 99 3HG2 THR 99 11.139 -10.398 0.131 656 HG22 THR 99 1HG2 THR 99 11.119 -12.061 0.716 657 HG23 THR 99 2HG2 THR 99 10.173 -10.825 1.544 658 H ILE 100 H ILE 100 9.215 -7.967 0.339 659 HA ILE 100 HA ILE 100 10.349 -7.057 -2.203 660 HB ILE 100 HB ILE 100 9.944 -5.544 0.386 661 HG12 ILE 100 2HG1 ILE 100 7.821 -6.089 -0.711 662 HG13 ILE 100 3HG1 ILE 100 8.161 -4.361 -0.799 663 HG21 ILE 100 2HG2 ILE 100 11.822 -4.660 -0.876 664 HG22 ILE 100 1HG2 ILE 100 10.459 -3.540 -0.926 665 HG23 ILE 100 3HG2 ILE 100 10.820 -4.554 -2.322 666 HD11 ILE 100 3HD1 ILE 100 8.584 -6.353 -3.018 667 HD12 ILE 100 2HD1 ILE 100 8.897 -4.621 -3.104 668 HD13 ILE 100 1HD1 ILE 100 7.248 -5.211 -2.892 669 H SER 101 H SER 101 12.402 -7.564 -2.546 670 HA SER 101 HA SER 101 14.326 -8.147 -0.570 671 HB2 SER 101 HB2 SER 101 14.588 -8.837 -2.916 672 HB3 SER 101 HB3 SER 101 14.717 -7.149 -3.404 673 HG SER 101 HG SER 101 16.775 -7.871 -3.236 674 H ALA 102 H ALA 102 15.865 -6.895 0.439 675 HA ALA 102 HA ALA 102 15.207 -4.323 1.202 676 HB1 ALA 102 HB1 ALA 102 16.714 -5.770 2.459 677 HB2 ALA 102 HB2 ALA 102 17.955 -5.565 1.220 678 HB3 ALA 102 HB3 ALA 102 17.429 -4.181 2.182 679 H SER 103 H SER 103 17.273 -5.329 -1.475 680 HA SER 103 HA SER 103 18.432 -2.825 -2.016 681 HB2 SER 103 HB2 SER 103 17.820 -5.064 -3.961 682 HB3 SER 103 HB3 SER 103 18.995 -3.768 -4.197 683 HG SER 103 HG SER 103 19.678 -5.970 -3.307 684 H GLU 104 H GLU 104 15.511 -4.373 -3.317 685 HA GLU 104 HA GLU 104 14.757 -2.115 -4.899 686 HB2 GLU 104 HB2 GLU 104 13.482 -4.696 -4.105 687 HB3 GLU 104 HB3 GLU 104 12.447 -3.410 -4.708 688 HG2 GLU 104 HG2 GLU 104 13.138 -5.001 -6.448 689 HG3 GLU 104 HG3 GLU 104 13.637 -3.345 -6.784 690 H ALA 105 H ALA 105 14.122 -3.243 -1.669 691 HA ALA 105 HA ALA 105 11.981 -1.591 -0.957 692 HB1 ALA 105 HB1 ALA 105 12.714 -1.980 1.357 693 HB2 ALA 105 HB2 ALA 105 12.702 -3.464 0.403 694 HB3 ALA 105 HB3 ALA 105 14.227 -2.653 0.750 695 H GLY 106 H GLY 106 15.437 -0.962 -1.093 696 HA2 GLY 106 HA1 GLY 106 15.317 1.572 0.226 697 HA3 GLY 106 HA2 GLY 106 16.655 0.963 -0.737 698 H ASN 107 H ASN 107 14.300 0.585 -2.825 699 HA ASN 107 HA ASN 107 14.671 3.241 -4.003 700 HB2 ASN 107 HB2 ASN 107 15.266 1.479 -5.516 701 HB3 ASN 107 HB3 ASN 107 13.768 0.611 -5.192 702 HD21 ASN 107 1HD2 ASN 107 11.859 1.299 -6.162 703 HD22 ASN 107 2HD2 ASN 107 11.827 2.440 -7.461 704 H TYR 108 H TYR 108 12.122 0.908 -3.181 705 HA TYR 108 HA TYR 108 10.028 2.419 -4.319 706 HB2 TYR 108 HB2 TYR 108 9.968 0.275 -2.203 707 HB3 TYR 108 HB3 TYR 108 8.562 0.882 -3.066 708 HD1 TYR 108 HD2 TYR 108 9.580 1.016 -5.840 709 HD2 TYR 108 HD1 TYR 108 10.158 -1.938 -2.839 710 HE1 TYR 108 HE2 TYR 108 9.914 -0.686 -7.586 711 HE2 TYR 108 HE1 TYR 108 10.488 -3.644 -4.566 712 HH TYR 108 HH TYR 108 11.034 -2.902 -7.817 713 H ASN 109 H ASN 109 8.725 3.929 -3.521 714 HA ASN 109 HA ASN 109 9.506 5.298 -1.112 715 HB2 ASN 109 HB2 ASN 109 7.240 5.825 -3.046 716 HB3 ASN 109 HB3 ASN 109 7.695 6.884 -1.716 717 HD21 ASN 109 1HD2 ASN 109 9.571 8.082 -1.852 718 HD22 ASN 109 2HD2 ASN 109 10.409 8.320 -3.346 719 H TYR 110 H TYR 110 7.919 5.922 0.534 720 HA TYR 110 HA TYR 110 5.528 4.306 0.760 721 HB2 TYR 110 HB2 TYR 110 6.015 3.331 2.856 722 HB3 TYR 110 HB3 TYR 110 7.435 3.028 1.871 723 HD1 TYR 110 HD1 TYR 110 8.699 5.815 2.202 724 HD2 TYR 110 HD2 TYR 110 6.977 3.091 4.965 725 HE1 TYR 110 HE1 TYR 110 10.086 6.758 3.992 726 HE2 TYR 110 HE2 TYR 110 8.360 4.027 6.762 727 HH TYR 110 HH TYR 110 10.500 5.280 6.987 728 H ILE 111 H ILE 111 3.971 5.312 2.243 729 HA ILE 111 HA ILE 111 4.730 8.112 2.656 730 HB ILE 111 HB ILE 111 2.438 8.766 2.329 731 HG12 ILE 111 2HG1 ILE 111 1.825 5.844 1.839 732 HG13 ILE 111 3HG1 ILE 111 1.381 6.730 3.288 733 HG21 ILE 111 2HG2 ILE 111 2.182 8.171 -0.034 734 HG22 ILE 111 1HG2 ILE 111 3.353 6.868 0.167 735 HG23 ILE 111 3HG2 ILE 111 3.862 8.545 0.356 736 HD11 ILE 111 3HD1 ILE 111 -0.502 6.534 1.779 737 HD12 ILE 111 2HD1 ILE 111 0.426 7.318 0.496 738 HD13 ILE 111 1HD1 ILE 111 -0.015 8.221 1.951 739 H HIS 112 H HIS 112 4.842 8.835 4.611 740 HA HIS 112 HA HIS 112 3.618 7.366 6.825 741 HB2 HIS 112 HB2 HIS 112 5.885 9.254 6.533 742 HB3 HIS 112 HB3 HIS 112 4.952 9.406 8.015 743 HD1 HIS 112 HD1 HIS 112 5.274 7.667 9.790 744 HD2 HIS 112 HD2 HIS 112 7.246 6.749 6.223 745 HE1 HIS 112 HE1 HIS 112 6.778 5.730 10.331 746 HE2 HIS 112 HE2 HIS 112 8.077 5.298 8.221 747 H ILE 113 H ILE 113 2.785 8.907 8.613 748 HA ILE 113 HA ILE 113 0.829 10.681 7.429 749 HB ILE 113 HB ILE 113 1.303 10.354 10.388 750 HG12 ILE 113 2HG1 ILE 113 -0.375 8.543 8.635 751 HG13 ILE 113 3HG1 ILE 113 1.159 8.099 9.372 752 HG21 ILE 113 2HG2 ILE 113 -1.129 10.780 10.488 753 HG22 ILE 113 1HG2 ILE 113 -1.145 10.965 8.734 754 HG23 ILE 113 3HG2 ILE 113 -0.239 12.103 9.733 755 HD11 ILE 113 3HD1 ILE 113 -0.725 7.204 10.617 756 HD12 ILE 113 2HD1 ILE 113 -1.355 8.834 10.854 757 HD13 ILE 113 1HD1 ILE 113 0.180 8.367 11.586 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 -30.875 -2.498 2.218 2 H2 GLY 1 H2 GLY 1 -30.585 -4.024 2.897 3 H3 GLY 1 H3 GLY 1 -30.612 -3.835 1.212 4 HA2 GLY 1 HA2 GLY 1 -28.348 -4.039 1.990 5 HA3 GLY 1 HA1 GLY 1 -28.647 -2.456 1.285 6 H SER 2 H SER 2 -26.877 -1.624 2.449 7 HA SER 2 HA SER 2 -27.508 -0.563 5.012 8 HB2 SER 2 HB2 SER 2 -26.876 -2.886 5.667 9 HB3 SER 2 HB3 SER 2 -25.289 -2.627 4.943 10 HG SER 2 HG SER 2 -25.980 -2.093 7.386 11 H SER 3 H SER 3 -25.221 -1.200 2.451 12 HA SER 3 HA SER 3 -23.283 0.723 3.304 13 HB2 SER 3 HB2 SER 3 -23.631 -0.661 0.636 14 HB3 SER 3 HB3 SER 3 -22.211 0.255 1.138 15 HG SER 3 HG SER 3 -23.223 -2.112 2.358 16 H ILE 4 H ILE 4 -25.479 2.153 3.412 17 HA ILE 4 HA ILE 4 -25.668 3.749 0.960 18 HB ILE 4 HB ILE 4 -27.758 3.042 2.170 19 HG12 ILE 4 2HG1 ILE 4 -28.858 5.262 2.066 20 HG13 ILE 4 3HG1 ILE 4 -27.272 6.023 1.970 21 HG21 ILE 4 2HG2 ILE 4 -28.380 4.264 4.217 22 HG22 ILE 4 1HG2 ILE 4 -26.749 4.935 4.286 23 HG23 ILE 4 3HG2 ILE 4 -26.995 3.195 4.450 24 HD11 ILE 4 3HD1 ILE 4 -26.855 4.867 -0.141 25 HD12 ILE 4 2HD1 ILE 4 -28.299 5.876 -0.217 26 HD13 ILE 4 1HD1 ILE 4 -28.454 4.127 -0.048 27 H SER 5 H SER 5 -23.676 3.514 3.427 28 HA SER 5 HA SER 5 -23.325 6.391 3.900 29 HB2 SER 5 HB2 SER 5 -22.066 4.111 5.438 30 HB3 SER 5 HB3 SER 5 -22.231 5.796 5.937 31 HG SER 5 HG SER 5 -24.350 5.501 6.329 32 H HIS 6 H HIS 6 -20.602 6.193 4.749 33 HA HIS 6 HA HIS 6 -19.280 6.200 2.210 34 HB2 HIS 6 HB2 HIS 6 -18.247 6.488 5.033 35 HB3 HIS 6 HB3 HIS 6 -17.197 6.550 3.620 36 HD1 HIS 6 HD1 HIS 6 -18.430 8.845 5.831 37 HD2 HIS 6 HD2 HIS 6 -18.765 8.557 1.691 38 HE1 HIS 6 HE1 HIS 6 -18.950 11.167 5.027 39 HE2 HIS 6 HE2 HIS 6 -19.283 10.946 2.540 40 H SER 7 H SER 7 -19.689 3.898 4.752 41 HA SER 7 HA SER 7 -19.198 1.713 4.970 42 HB2 SER 7 HB2 SER 7 -19.214 0.370 2.830 43 HB3 SER 7 HB3 SER 7 -20.613 1.409 3.085 44 HG SER 7 HG SER 7 -18.570 2.631 1.716 45 H GLY 8 H GLY 8 -16.970 3.128 5.469 46 HA2 GLY 8 HA1 GLY 8 -14.882 2.269 6.091 47 HA3 GLY 8 HA2 GLY 8 -15.031 1.047 4.839 48 H ASN 9 H ASN 9 -15.009 2.049 2.529 49 HA ASN 9 HA ASN 9 -13.059 4.222 2.374 50 HB2 ASN 9 HB2 ASN 9 -11.736 2.134 2.564 51 HB3 ASN 9 HB3 ASN 9 -12.566 1.496 1.149 52 HD21 ASN 9 1HD2 ASN 9 -10.510 1.256 0.174 53 HD22 ASN 9 2HD2 ASN 9 -9.694 2.614 -0.518 54 H LEU 10 H LEU 10 -12.928 5.203 0.337 55 HA LEU 10 HA LEU 10 -15.431 5.244 -1.042 56 HB2 LEU 10 HB2 LEU 10 -12.833 6.585 -1.758 57 HB3 LEU 10 HB3 LEU 10 -14.422 7.016 -2.362 58 HG LEU 10 HG LEU 10 -13.496 7.299 0.500 59 HD11 LEU 10 2HD1 LEU 10 -14.033 9.376 -1.618 60 HD12 LEU 10 1HD1 LEU 10 -12.447 8.910 -1.007 61 HD13 LEU 10 3HD1 LEU 10 -13.608 9.698 0.064 62 HD21 LEU 10 3HD2 LEU 10 -15.612 8.487 0.832 63 HD22 LEU 10 2HD2 LEU 10 -15.875 6.806 0.366 64 HD23 LEU 10 1HD2 LEU 10 -16.087 8.094 -0.821 65 H TYR 11 H TYR 11 -12.280 3.886 -1.668 66 HA TYR 11 HA TYR 11 -12.582 3.675 -4.491 67 HB2 TYR 11 HB2 TYR 11 -10.416 3.803 -3.094 68 HB3 TYR 11 HB3 TYR 11 -10.633 2.074 -2.844 69 HD1 TYR 11 HD2 TYR 11 -10.320 4.641 -5.510 70 HD2 TYR 11 HD1 TYR 11 -9.854 0.554 -4.443 71 HE1 TYR 11 HE2 TYR 11 -9.237 4.210 -7.677 72 HE2 TYR 11 HE1 TYR 11 -8.766 0.107 -6.606 73 HH TYR 11 HH TYR 11 -7.646 2.572 -8.641 74 H THR 12 H THR 12 -12.271 1.505 -5.584 75 HA THR 12 HA THR 12 -14.518 -0.100 -5.207 76 HB THR 12 HB THR 12 -11.947 -0.757 -6.654 77 HG1 THR 12 HG1 THR 12 -13.581 1.157 -7.169 78 HG21 THR 12 3HG2 THR 12 -13.296 -2.758 -6.262 79 HG22 THR 12 1HG2 THR 12 -13.298 -2.316 -7.970 80 HG23 THR 12 2HG2 THR 12 -14.700 -1.953 -6.964 81 H ALA 13 H ALA 13 -14.797 -2.165 -4.362 82 HA ALA 13 HA ALA 13 -13.373 -2.553 -1.930 83 HB1 ALA 13 HB1 ALA 13 -15.528 -4.265 -3.152 84 HB2 ALA 13 HB2 ALA 13 -14.981 -4.300 -1.474 85 HB3 ALA 13 HB3 ALA 13 -15.799 -2.871 -2.105 86 H GLY 14 H GLY 14 -12.082 -4.229 -1.293 87 HA2 GLY 14 HA1 GLY 14 -10.681 -6.043 -1.438 88 HA3 GLY 14 HA2 GLY 14 -11.622 -6.574 -2.825 89 H GLN 15 H GLN 15 -10.139 -3.439 -2.772 90 HA GLN 15 HA GLN 15 -8.528 -4.257 -5.066 91 HB2 GLN 15 HB2 GLN 15 -9.707 -1.709 -4.120 92 HB3 GLN 15 HB3 GLN 15 -8.210 -1.612 -5.041 93 HG2 GLN 15 HG2 GLN 15 -10.580 -3.164 -6.007 94 HG3 GLN 15 HG3 GLN 15 -10.379 -1.441 -6.324 95 HE21 GLN 15 1HE2 GLN 15 -10.286 -1.844 -8.517 96 HE22 GLN 15 2HE2 GLN 15 -8.849 -2.466 -9.259 97 H CYS 16 H CYS 16 -6.457 -3.002 -5.356 98 HA CYS 16 HA CYS 16 -4.636 -3.792 -3.364 99 HB2 CYS 16 HB2 CYS 16 -4.232 -3.399 -5.873 100 HB3 CYS 16 HB3 CYS 16 -4.075 -1.696 -5.460 101 HG CYS 16 HG CYS 16 -1.994 -2.548 -3.468 102 H THR 17 H THR 17 -5.758 -0.550 -4.342 103 HA THR 17 HA THR 17 -4.405 0.755 -2.175 104 HB THR 17 HB THR 17 -5.785 2.746 -2.859 105 HG1 THR 17 HG1 THR 17 -7.192 2.536 -4.551 106 HG21 THR 17 3HG2 THR 17 -3.611 2.403 -3.868 107 HG22 THR 17 1HG2 THR 17 -4.740 3.007 -5.079 108 HG23 THR 17 2HG2 THR 17 -4.304 1.296 -5.054 109 H TRP 18 H TRP 18 -7.491 -0.728 -2.646 110 HA TRP 18 HA TRP 18 -8.888 0.527 -0.513 111 HB2 TRP 18 HB2 TRP 18 -9.949 -0.645 -2.452 112 HB3 TRP 18 HB3 TRP 18 -9.413 -2.172 -1.765 113 HD1 TRP 18 HD1 TRP 18 -12.044 0.542 -1.362 114 HE1 TRP 18 HE1 TRP 18 -13.836 -0.288 0.282 115 HE3 TRP 18 HE3 TRP 18 -9.733 -3.700 0.326 116 HZ2 TRP 18 HZ2 TRP 18 -14.233 -2.435 2.060 117 HZ3 TRP 18 HZ3 TRP 18 -10.893 -5.079 1.998 118 HH2 TRP 18 HH2 TRP 18 -13.092 -4.461 2.849 119 H TYR 19 H TYR 19 -7.253 -2.641 -0.831 120 HA TYR 19 HA TYR 19 -7.768 -3.538 1.783 121 HB2 TYR 19 HB2 TYR 19 -6.957 -5.015 0.014 122 HB3 TYR 19 HB3 TYR 19 -5.426 -4.150 -0.034 123 HD1 TYR 19 HD1 TYR 19 -7.562 -6.285 2.121 124 HD2 TYR 19 HD2 TYR 19 -3.663 -4.758 1.390 125 HE1 TYR 19 HE1 TYR 19 -6.645 -7.856 3.778 126 HE2 TYR 19 HE2 TYR 19 -2.735 -6.318 3.046 127 HH TYR 19 HH TYR 19 -3.581 -7.577 5.080 128 H VAL 20 H VAL 20 -5.056 -1.732 0.443 129 HA VAL 20 HA VAL 20 -3.452 -1.473 2.680 130 HB VAL 20 HB VAL 20 -3.984 0.446 0.412 131 HG11 VAL 20 2HG1 VAL 20 -1.891 0.673 2.571 132 HG12 VAL 20 1HG1 VAL 20 -3.254 1.762 2.316 133 HG13 VAL 20 3HG1 VAL 20 -1.968 1.662 1.112 134 HG21 VAL 20 3HG2 VAL 20 -2.907 -1.626 -0.219 135 HG22 VAL 20 2HG2 VAL 20 -1.697 -1.415 1.048 136 HG23 VAL 20 1HG2 VAL 20 -1.747 -0.301 -0.317 137 H TYR 21 H TYR 21 -6.204 0.530 1.686 138 HA TYR 21 HA TYR 21 -5.993 2.413 3.767 139 HB2 TYR 21 HB2 TYR 21 -7.321 2.653 1.610 140 HB3 TYR 21 HB3 TYR 21 -8.545 1.634 2.360 141 HD1 TYR 21 HD2 TYR 21 -6.645 4.789 2.939 142 HD2 TYR 21 HD1 TYR 21 -10.205 2.570 3.657 143 HE1 TYR 21 HE2 TYR 21 -7.631 6.742 4.047 144 HE2 TYR 21 HE1 TYR 21 -11.206 4.516 4.765 145 HH TYR 21 HH TYR 21 -9.938 7.616 4.521 146 H ASP 22 H ASP 22 -7.851 -0.573 3.455 147 HA ASP 22 HA ASP 22 -9.277 -0.342 5.879 148 HB2 ASP 22 HB2 ASP 22 -10.034 -1.879 4.192 149 HB3 ASP 22 HB3 ASP 22 -8.508 -2.755 4.228 150 H LYS 23 H LYS 23 -6.175 -1.829 5.085 151 HA LYS 23 HA LYS 23 -5.755 -3.072 7.583 152 HB2 LYS 23 HB2 LYS 23 -3.936 -2.303 5.323 153 HB3 LYS 23 HB3 LYS 23 -3.308 -3.045 6.789 154 HG2 LYS 23 HG2 LYS 23 -5.529 -4.295 5.213 155 HG3 LYS 23 HG3 LYS 23 -3.831 -4.576 4.825 156 HD2 LYS 23 HD2 LYS 23 -5.059 -5.075 7.535 157 HD3 LYS 23 HD3 LYS 23 -4.829 -6.318 6.301 158 HE2 LYS 23 HE2 LYS 23 -2.421 -5.868 6.312 159 HE3 LYS 23 HE3 LYS 23 -2.658 -4.642 7.553 160 HZ1 LYS 23 HZ1 LYS 23 -1.885 -6.812 8.400 161 HZ2 LYS 23 HZ2 LYS 23 -3.352 -7.506 7.899 162 HZ3 LYS 23 HZ3 LYS 23 -3.347 -6.299 9.090 163 H VAL 24 H VAL 24 -4.934 0.156 6.403 164 HA VAL 24 HA VAL 24 -3.372 0.740 8.763 165 HB VAL 24 HB VAL 24 -3.175 3.020 7.898 166 HG11 VAL 24 2HG1 VAL 24 -1.599 1.365 7.118 167 HG12 VAL 24 1HG1 VAL 24 -1.975 2.493 5.815 168 HG13 VAL 24 3HG1 VAL 24 -2.700 0.885 5.826 169 HG21 VAL 24 3HG2 VAL 24 -5.370 3.310 6.923 170 HG22 VAL 24 2HG2 VAL 24 -5.024 2.081 5.706 171 HG23 VAL 24 1HG2 VAL 24 -4.132 3.603 5.703 172 H GLY 25 H GLY 25 -6.530 0.305 8.433 173 HA2 GLY 25 HA1 GLY 25 -8.262 0.773 9.882 174 HA3 GLY 25 HA2 GLY 25 -7.149 1.758 10.823 175 H GLY 26 H GLY 26 -7.314 2.496 7.498 176 HA2 GLY 26 HA1 GLY 26 -8.218 4.246 6.329 177 HA3 GLY 26 HA2 GLY 26 -9.514 4.272 7.513 178 H GLU 27 H GLU 27 -6.128 4.710 8.348 179 HA GLU 27 HA GLU 27 -6.753 7.260 9.525 180 HB2 GLU 27 HB2 GLU 27 -5.188 5.687 10.623 181 HB3 GLU 27 HB3 GLU 27 -4.075 5.874 9.279 182 HG2 GLU 27 HG2 GLU 27 -3.715 8.173 9.816 183 HG3 GLU 27 HG3 GLU 27 -4.981 8.133 11.042 184 H ILE 28 H ILE 28 -4.740 6.118 6.839 185 HA ILE 28 HA ILE 28 -4.412 8.928 6.026 186 HB ILE 28 HB ILE 28 -2.224 8.670 5.615 187 HG12 ILE 28 2HG1 ILE 28 -2.827 7.081 3.681 188 HG13 ILE 28 3HG1 ILE 28 -1.191 6.985 4.330 189 HG21 ILE 28 2HG2 ILE 28 -1.068 7.017 6.984 190 HG22 ILE 28 1HG2 ILE 28 -2.581 6.136 7.199 191 HG23 ILE 28 3HG2 ILE 28 -2.408 7.762 7.858 192 HD11 ILE 28 3HD1 ILE 28 -1.958 4.777 3.932 193 HD12 ILE 28 2HD1 ILE 28 -3.474 5.080 4.787 194 HD13 ILE 28 1HD1 ILE 28 -1.952 5.019 5.680 195 H GLY 29 H GLY 29 -4.784 9.484 3.904 196 HA2 GLY 29 HA1 GLY 29 -4.470 8.803 1.594 197 HA3 GLY 29 HA2 GLY 29 -5.150 7.246 2.025 198 H SER 30 H SER 30 -7.077 6.907 1.322 199 HA SER 30 HA SER 30 -9.142 7.159 0.439 200 HB2 SER 30 HB2 SER 30 -9.298 9.931 1.612 201 HB3 SER 30 HB3 SER 30 -10.615 8.822 1.261 202 HG SER 30 HG SER 30 -9.044 9.030 3.485 203 H THR 31 H THR 31 -7.745 10.433 0.338 204 HA THR 31 HA THR 31 -8.611 10.693 -2.431 205 HB THR 31 HB THR 31 -9.167 12.498 -0.841 206 HG1 THR 31 HG1 THR 31 -7.387 13.103 -2.974 207 HG21 THR 31 3HG2 THR 31 -6.174 12.894 -0.669 208 HG22 THR 31 1HG2 THR 31 -7.231 12.342 0.632 209 HG23 THR 31 2HG2 THR 31 -7.391 13.980 0.001 210 H TRP 32 H TRP 32 -6.137 9.126 -1.398 211 HA TRP 32 HA TRP 32 -3.923 10.552 -2.516 212 HB2 TRP 32 HB2 TRP 32 -2.644 8.477 -2.228 213 HB3 TRP 32 HB3 TRP 32 -3.516 8.918 -0.765 214 HD1 TRP 32 HD1 TRP 32 -5.181 7.087 -3.679 215 HE1 TRP 32 HE1 TRP 32 -5.891 4.776 -2.886 216 HE3 TRP 32 HE3 TRP 32 -2.991 7.137 0.916 217 HZ2 TRP 32 HZ2 TRP 32 -5.586 3.147 -0.572 218 HZ3 TRP 32 HZ3 TRP 32 -3.245 5.156 2.367 219 HH2 TRP 32 HH2 TRP 32 -4.513 3.209 1.632 220 H GLY 33 H GLY 33 -6.513 9.039 -3.908 221 HA2 GLY 33 HA1 GLY 33 -6.935 8.819 -6.196 222 HA3 GLY 33 HA2 GLY 33 -5.223 9.096 -6.482 223 H ASN 34 H ASN 34 -4.167 7.503 -7.271 224 HA ASN 34 HA ASN 34 -4.893 4.778 -6.469 225 HB2 ASN 34 HB2 ASN 34 -4.015 5.703 -9.215 226 HB3 ASN 34 HB3 ASN 34 -4.114 4.019 -8.713 227 HD21 ASN 34 1HD2 ASN 34 -5.901 6.863 -9.557 228 HD22 ASN 34 2HD2 ASN 34 -7.449 6.103 -9.696 229 H ALA 35 H ALA 35 -2.840 3.376 -7.445 230 HA ALA 35 HA ALA 35 -0.987 3.861 -5.381 231 HB1 ALA 35 HB1 ALA 35 -1.610 1.641 -6.170 232 HB2 ALA 35 HB2 ALA 35 -0.785 1.958 -7.697 233 HB3 ALA 35 HB3 ALA 35 0.137 1.884 -6.196 234 H ASN 36 H ASN 36 -0.901 4.643 -8.806 235 HA ASN 36 HA ASN 36 1.936 5.255 -8.726 236 HB2 ASN 36 HB2 ASN 36 1.723 5.787 -11.082 237 HB3 ASN 36 HB3 ASN 36 0.920 4.258 -10.751 238 HD21 ASN 36 1HD2 ASN 36 0.546 6.100 -12.952 239 HD22 ASN 36 2HD2 ASN 36 -1.122 6.543 -12.933 240 H ASN 37 H ASN 37 -0.840 6.816 -7.835 241 HA ASN 37 HA ASN 37 0.276 9.492 -8.360 242 HB2 ASN 37 HB2 ASN 37 -2.010 9.002 -9.252 243 HB3 ASN 37 HB3 ASN 37 -2.559 8.711 -7.608 244 HD21 ASN 37 1HD2 ASN 37 -3.043 10.415 -6.302 245 HD22 ASN 37 2HD2 ASN 37 -3.023 12.062 -6.836 246 H TRP 38 H TRP 38 0.489 7.237 -6.181 247 HA TRP 38 HA TRP 38 -0.659 8.079 -3.809 248 HB2 TRP 38 HB2 TRP 38 1.205 6.057 -4.632 249 HB3 TRP 38 HB3 TRP 38 1.718 6.778 -3.100 250 HD1 TRP 38 HD1 TRP 38 -1.846 5.924 -4.356 251 HE1 TRP 38 HE1 TRP 38 -2.970 4.504 -2.566 252 HE3 TRP 38 HE3 TRP 38 2.074 5.512 -1.128 253 HZ2 TRP 38 HZ2 TRP 38 -2.266 3.361 -0.019 254 HZ3 TRP 38 HZ3 TRP 38 1.775 4.248 0.947 255 HH2 TRP 38 HH2 TRP 38 -0.341 3.191 1.478 256 H ALA 39 H ALA 39 2.835 8.349 -4.536 257 HA ALA 39 HA ALA 39 3.487 9.737 -2.234 258 HB1 ALA 39 HB1 ALA 39 5.167 8.709 -3.642 259 HB2 ALA 39 HB2 ALA 39 4.848 9.880 -4.923 260 HB3 ALA 39 HB3 ALA 39 5.547 10.414 -3.395 261 H ALA 40 H ALA 40 2.319 10.998 -5.307 262 HA ALA 40 HA ALA 40 2.799 13.735 -4.720 263 HB1 ALA 40 HB1 ALA 40 0.836 12.539 -6.670 264 HB2 ALA 40 HB2 ALA 40 1.413 14.205 -6.654 265 HB3 ALA 40 HB3 ALA 40 2.530 12.887 -7.013 266 H ALA 41 H ALA 41 -0.171 11.753 -4.648 267 HA ALA 41 HA ALA 41 -1.803 13.835 -3.617 268 HB1 ALA 41 HB1 ALA 41 -2.294 10.857 -3.477 269 HB2 ALA 41 HB2 ALA 41 -3.493 12.140 -3.322 270 HB3 ALA 41 HB3 ALA 41 -2.676 11.882 -4.861 271 H ALA 42 H ALA 42 0.103 11.293 -2.160 272 HA ALA 42 HA ALA 42 -0.797 11.447 0.489 273 HB1 ALA 42 HB1 ALA 42 1.477 10.579 1.052 274 HB2 ALA 42 HB2 ALA 42 0.645 9.661 -0.206 275 HB3 ALA 42 HB3 ALA 42 1.925 10.797 -0.639 276 H GLN 43 H GLN 43 1.897 13.168 -1.125 277 HA GLN 43 HA GLN 43 2.473 14.808 1.122 278 HB2 GLN 43 HB2 GLN 43 3.166 15.097 -1.799 279 HB3 GLN 43 HB3 GLN 43 3.715 16.223 -0.564 280 HG2 GLN 43 HG2 GLN 43 4.736 14.256 0.621 281 HG3 GLN 43 HG3 GLN 43 4.371 13.301 -0.819 282 HE21 GLN 43 1HE2 GLN 43 6.924 14.093 0.461 283 HE22 GLN 43 2HE2 GLN 43 7.845 14.863 -0.791 284 H GLY 44 H GLY 44 0.293 15.096 -1.604 285 HA2 GLY 44 HA1 GLY 44 -0.495 17.768 -1.247 286 HA3 GLY 44 HA2 GLY 44 -1.500 16.493 -1.923 287 H ALA 45 H ALA 45 -1.407 14.834 0.439 288 HA ALA 45 HA ALA 45 -3.397 16.170 2.055 289 HB1 ALA 45 HB1 ALA 45 -2.177 13.427 2.369 290 HB2 ALA 45 HB2 ALA 45 -3.601 14.039 3.211 291 HB3 ALA 45 HB3 ALA 45 -3.644 13.799 1.464 292 H GLY 46 H GLY 46 -0.064 15.088 2.351 293 HA2 GLY 46 HA1 GLY 46 1.335 16.706 3.629 294 HA3 GLY 46 HA2 GLY 46 0.112 16.600 4.884 295 H PHE 47 H PHE 47 1.153 13.770 3.090 296 HA PHE 47 HA PHE 47 2.067 12.583 5.577 297 HB2 PHE 47 HB2 PHE 47 2.062 11.358 2.808 298 HB3 PHE 47 HB3 PHE 47 2.292 10.504 4.327 299 HD1 PHE 47 HD1 PHE 47 -0.077 12.422 5.519 300 HD2 PHE 47 HD2 PHE 47 0.361 9.637 2.336 301 HE1 PHE 47 HE1 PHE 47 -2.498 11.968 5.576 302 HE2 PHE 47 HE2 PHE 47 -2.047 9.163 2.382 303 HZ PHE 47 HZ PHE 47 -3.483 10.345 4.005 304 H THR 48 H THR 48 4.128 11.610 5.836 305 HA THR 48 HA THR 48 6.285 12.981 4.410 306 HB THR 48 HB THR 48 6.673 11.014 6.659 307 HG1 THR 48 HG1 THR 48 5.221 12.360 7.637 308 HG21 THR 48 3HG2 THR 48 8.653 11.880 5.541 309 HG22 THR 48 1HG2 THR 48 8.557 12.517 7.183 310 HG23 THR 48 2HG2 THR 48 8.111 13.536 5.813 311 H VAL 49 H VAL 49 7.388 11.930 2.781 312 HA VAL 49 HA VAL 49 7.301 9.013 2.766 313 HB VAL 49 HB VAL 49 5.462 9.249 1.438 314 HG11 VAL 49 2HG1 VAL 49 6.725 11.680 0.200 315 HG12 VAL 49 1HG1 VAL 49 5.416 11.646 1.384 316 HG13 VAL 49 3HG1 VAL 49 5.153 11.008 -0.240 317 HG21 VAL 49 3HG2 VAL 49 7.716 9.422 -0.565 318 HG22 VAL 49 2HG2 VAL 49 6.081 8.849 -0.896 319 HG23 VAL 49 1HG2 VAL 49 7.125 7.952 0.208 320 H ASN 50 H ASN 50 9.207 8.219 2.484 321 HA ASN 50 HA ASN 50 10.902 9.304 0.360 322 HB2 ASN 50 HB2 ASN 50 12.883 8.523 1.588 323 HB3 ASN 50 HB3 ASN 50 11.993 9.690 2.554 324 HD21 ASN 50 1HD2 ASN 50 10.864 8.953 4.392 325 HD22 ASN 50 2HD2 ASN 50 11.242 7.423 5.124 326 H HIS 51 H HIS 51 12.560 6.719 0.893 327 HA HIS 51 HA HIS 51 10.542 4.820 0.025 328 HB2 HIS 51 HB2 HIS 51 12.017 4.014 -1.865 329 HB3 HIS 51 HB3 HIS 51 11.245 5.571 -2.108 330 HD1 HIS 51 HD1 HIS 51 12.769 7.634 -2.292 331 HD2 HIS 51 HD2 HIS 51 14.812 4.061 -1.699 332 HE1 HIS 51 HE1 HIS 51 15.181 8.129 -2.829 333 HE2 HIS 51 HE2 HIS 51 16.360 5.911 -2.637 334 H THR 52 H THR 52 10.997 4.141 2.195 335 HA THR 52 HA THR 52 12.576 1.724 1.955 336 HB THR 52 HB THR 52 12.986 3.559 4.335 337 HG1 THR 52 HG1 THR 52 14.151 3.603 1.969 338 HG21 THR 52 3HG2 THR 52 13.072 1.177 4.916 339 HG22 THR 52 1HG2 THR 52 14.669 1.916 5.029 340 HG23 THR 52 2HG2 THR 52 14.259 0.906 3.643 341 HA PRO 53 HA PRO 53 8.487 0.638 3.583 342 HB2 PRO 53 HB2 PRO 53 9.101 -2.057 3.834 343 HB3 PRO 53 HB3 PRO 53 8.465 -1.290 2.376 344 HG2 PRO 53 HG2 PRO 53 11.297 -1.952 3.086 345 HG3 PRO 53 HG3 PRO 53 10.458 -2.142 1.535 346 HD2 PRO 53 HD2 PRO 53 12.123 -0.104 1.919 347 HD3 PRO 53 HD3 PRO 53 10.591 0.126 1.041 348 H SER 54 H SER 54 7.647 -0.365 5.534 349 HA SER 54 HA SER 54 9.349 -0.895 7.747 350 HB2 SER 54 HB2 SER 54 8.027 1.826 7.574 351 HB3 SER 54 HB3 SER 54 8.641 1.132 9.073 352 HG SER 54 HG SER 54 10.389 1.175 6.901 353 H LYS 55 H LYS 55 8.183 -1.614 9.539 354 HA LYS 55 HA LYS 55 5.695 -2.797 9.037 355 HB2 LYS 55 HB2 LYS 55 7.244 -3.625 10.739 356 HB3 LYS 55 HB3 LYS 55 7.027 -2.155 11.677 357 HG2 LYS 55 HG2 LYS 55 4.700 -2.717 12.063 358 HG3 LYS 55 HG3 LYS 55 4.871 -4.165 11.069 359 HD2 LYS 55 HD2 LYS 55 6.503 -5.067 12.622 360 HD3 LYS 55 HD3 LYS 55 6.420 -3.599 13.594 361 HE2 LYS 55 HE2 LYS 55 4.082 -4.052 14.102 362 HE3 LYS 55 HE3 LYS 55 4.129 -5.494 13.089 363 HZ1 LYS 55 HZ1 LYS 55 5.688 -6.504 14.572 364 HZ2 LYS 55 HZ2 LYS 55 4.379 -5.948 15.493 365 HZ3 LYS 55 HZ3 LYS 55 5.837 -5.082 15.484 366 H GLY 56 H GLY 56 3.801 -1.811 8.769 367 HA2 GLY 56 HA1 GLY 56 1.960 -0.657 9.806 368 HA3 GLY 56 HA2 GLY 56 3.120 0.398 10.597 369 H ALA 57 H ALA 57 4.331 0.120 7.610 370 HA ALA 57 HA ALA 57 2.852 2.487 6.667 371 HB1 ALA 57 HB1 ALA 57 5.659 1.632 5.971 372 HB2 ALA 57 HB2 ALA 57 4.841 3.096 5.418 373 HB3 ALA 57 HB3 ALA 57 5.223 2.891 7.129 374 H ILE 58 H ILE 58 3.573 2.550 4.027 375 HA ILE 58 HA ILE 58 2.605 -0.018 2.975 376 HB ILE 58 HB ILE 58 1.650 2.652 1.948 377 HG12 ILE 58 2HG1 ILE 58 -0.609 1.698 2.874 378 HG13 ILE 58 3HG1 ILE 58 0.430 0.770 3.945 379 HG21 ILE 58 2HG2 ILE 58 1.693 0.916 0.269 380 HG22 ILE 58 1HG2 ILE 58 0.024 1.275 0.710 381 HG23 ILE 58 3HG2 ILE 58 0.807 -0.178 1.333 382 HD11 ILE 58 3HD1 ILE 58 -0.351 2.804 5.013 383 HD12 ILE 58 2HD1 ILE 58 0.357 3.770 3.721 384 HD13 ILE 58 1HD1 ILE 58 1.399 2.843 4.800 385 H LEU 59 H LEU 59 3.483 -0.693 1.143 386 HA LEU 59 HA LEU 59 5.876 0.614 0.162 387 HB2 LEU 59 HB2 LEU 59 5.535 -1.858 0.642 388 HB3 LEU 59 HB3 LEU 59 4.525 -1.912 -0.785 389 HG LEU 59 HG LEU 59 6.676 -0.913 -1.925 390 HD11 LEU 59 2HD1 LEU 59 7.939 -0.687 0.147 391 HD12 LEU 59 1HD1 LEU 59 8.712 -1.828 -0.952 392 HD13 LEU 59 3HD1 LEU 59 7.791 -2.421 0.429 393 HD21 LEU 59 3HD2 LEU 59 5.557 -2.993 -2.511 394 HD22 LEU 59 2HD2 LEU 59 6.350 -3.807 -1.161 395 HD23 LEU 59 1HD2 LEU 59 7.310 -3.195 -2.509 396 H GLN 60 H GLN 60 6.053 1.647 -1.846 397 HA GLN 60 HA GLN 60 3.706 1.544 -3.614 398 HB2 GLN 60 HB2 GLN 60 3.507 3.509 -2.108 399 HB3 GLN 60 HB3 GLN 60 5.051 4.101 -2.699 400 HG2 GLN 60 HG2 GLN 60 2.928 3.575 -4.699 401 HG3 GLN 60 HG3 GLN 60 2.722 4.962 -3.636 402 HE21 GLN 60 1HE2 GLN 60 3.118 4.904 -6.492 403 HE22 GLN 60 2HE2 GLN 60 4.560 5.802 -6.813 404 H SER 61 H SER 61 4.134 1.449 -5.701 405 HA SER 61 HA SER 61 6.820 2.199 -6.650 406 HB2 SER 61 HB2 SER 61 6.427 -0.243 -6.803 407 HB3 SER 61 HB3 SER 61 4.988 0.055 -7.774 408 HG SER 61 HG SER 61 6.244 0.136 -9.439 409 H SER 62 H SER 62 6.927 3.344 -8.574 410 HA SER 62 HA SER 62 4.606 4.983 -9.089 411 HB2 SER 62 HB2 SER 62 6.990 5.839 -8.911 412 HB3 SER 62 HB3 SER 62 7.301 5.075 -10.468 413 HG SER 62 HG SER 62 6.562 7.442 -10.253 414 H GLU 63 H GLU 63 6.464 2.481 -10.685 415 HA GLU 63 HA GLU 63 4.937 2.694 -13.138 416 HB2 GLU 63 HB2 GLU 63 6.311 0.738 -13.851 417 HB3 GLU 63 HB3 GLU 63 7.263 2.134 -13.371 418 HG2 GLU 63 HG2 GLU 63 7.737 1.112 -11.230 419 HG3 GLU 63 HG3 GLU 63 6.716 -0.265 -11.639 420 H GLY 64 H GLY 64 3.901 0.734 -14.047 421 HA2 GLY 64 HA1 GLY 64 2.992 -1.518 -13.341 422 HA3 GLY 64 HA2 GLY 64 2.393 -0.660 -11.927 423 HA PRO 65 HA PRO 65 -0.847 -0.665 -15.354 424 HB2 PRO 65 HB2 PRO 65 -2.613 -1.604 -13.209 425 HB3 PRO 65 HB3 PRO 65 -2.344 -2.290 -14.813 426 HG2 PRO 65 HG2 PRO 65 -1.465 -3.478 -12.549 427 HG3 PRO 65 HG3 PRO 65 -0.620 -3.619 -14.099 428 HD2 PRO 65 HD2 PRO 65 0.033 -1.930 -11.727 429 HD3 PRO 65 HD3 PRO 65 1.122 -2.776 -12.844 430 H PHE 66 H PHE 66 -1.211 -0.005 -11.917 431 HA PHE 66 HA PHE 66 -2.141 2.702 -12.508 432 HB2 PHE 66 HB2 PHE 66 -3.959 2.557 -10.921 433 HB3 PHE 66 HB3 PHE 66 -4.145 1.247 -12.083 434 HD1 PHE 66 HD1 PHE 66 -2.834 -0.983 -11.303 435 HD2 PHE 66 HD2 PHE 66 -4.367 2.042 -8.736 436 HE1 PHE 66 HE1 PHE 66 -2.919 -2.602 -9.452 437 HE2 PHE 66 HE2 PHE 66 -4.453 0.428 -6.879 438 HZ PHE 66 HZ PHE 66 -3.728 -1.897 -7.240 439 H GLY 67 H GLY 67 0.281 1.265 -11.566 440 HA2 GLY 67 HA1 GLY 67 1.958 2.053 -10.080 441 HA3 GLY 67 HA2 GLY 67 0.689 2.655 -9.018 442 H HIS 68 H HIS 68 2.166 1.438 -7.458 443 HA HIS 68 HA HIS 68 0.990 -1.215 -7.047 444 HB2 HIS 68 HB2 HIS 68 3.244 -1.412 -8.244 445 HB3 HIS 68 HB3 HIS 68 3.967 -0.754 -6.772 446 HD1 HIS 68 HD1 HIS 68 4.372 -3.678 -8.065 447 HD2 HIS 68 HD2 HIS 68 2.105 -2.711 -4.712 448 HE1 HIS 68 HE1 HIS 68 4.231 -5.789 -6.702 449 HE2 HIS 68 HE2 HIS 68 2.686 -5.237 -4.787 450 H VAL 69 H VAL 69 -0.118 -0.476 -5.134 451 HA VAL 69 HA VAL 69 1.780 0.232 -3.012 452 HB VAL 69 HB VAL 69 -0.130 1.213 -1.780 453 HG11 VAL 69 2HG1 VAL 69 -0.236 3.231 -3.172 454 HG12 VAL 69 1HG1 VAL 69 0.446 2.322 -4.521 455 HG13 VAL 69 3HG1 VAL 69 1.400 2.582 -3.061 456 HG21 VAL 69 3HG2 VAL 69 -1.601 0.786 -4.381 457 HG22 VAL 69 2HG2 VAL 69 -2.179 1.749 -3.022 458 HG23 VAL 69 1HG2 VAL 69 -1.963 0.009 -2.840 459 H ALA 70 H ALA 70 2.269 -1.317 -1.764 460 HA ALA 70 HA ALA 70 0.243 -3.340 -1.060 461 HB1 ALA 70 HB1 ALA 70 2.010 -4.333 -2.398 462 HB2 ALA 70 HB2 ALA 70 3.236 -3.661 -1.323 463 HB3 ALA 70 HB3 ALA 70 2.132 -4.900 -0.733 464 H TYR 71 H TYR 71 -0.272 -3.342 1.065 465 HA TYR 71 HA TYR 71 0.972 -1.444 2.780 466 HB2 TYR 71 HB2 TYR 71 -1.323 -1.774 3.171 467 HB3 TYR 71 HB3 TYR 71 -1.160 -3.532 3.166 468 HD1 TYR 71 HD2 TYR 71 -0.346 -4.720 5.124 469 HD2 TYR 71 HD1 TYR 71 -0.810 -0.486 5.161 470 HE1 TYR 71 HE2 TYR 71 -0.173 -4.720 7.581 471 HE2 TYR 71 HE1 TYR 71 -0.643 -0.480 7.615 472 HH TYR 71 HH TYR 71 0.460 -3.134 9.397 473 H VAL 72 H VAL 72 2.521 -1.693 4.265 474 HA VAL 72 HA VAL 72 4.047 -4.162 4.115 475 HB VAL 72 HB VAL 72 4.753 -1.639 5.613 476 HG11 VAL 72 2HG1 VAL 72 7.048 -2.476 5.390 477 HG12 VAL 72 1HG1 VAL 72 6.431 -3.925 4.595 478 HG13 VAL 72 3HG1 VAL 72 6.019 -3.600 6.279 479 HG21 VAL 72 3HG2 VAL 72 6.093 -1.015 3.654 480 HG22 VAL 72 2HG2 VAL 72 4.369 -1.083 3.274 481 HG23 VAL 72 1HG2 VAL 72 5.438 -2.396 2.776 482 H GLU 73 H GLU 73 3.412 -5.712 5.429 483 HA GLU 73 HA GLU 73 2.026 -5.285 7.871 484 HB2 GLU 73 HB2 GLU 73 3.368 -7.753 6.744 485 HB3 GLU 73 HB3 GLU 73 2.332 -7.745 8.164 486 HG2 GLU 73 HG2 GLU 73 1.313 -6.681 5.571 487 HG3 GLU 73 HG3 GLU 73 1.373 -8.417 5.854 488 H SER 74 H SER 74 5.372 -5.875 6.991 489 HA SER 74 HA SER 74 6.532 -4.885 9.300 490 HB2 SER 74 HB2 SER 74 5.376 -6.850 10.381 491 HB3 SER 74 HB3 SER 74 6.368 -7.913 9.385 492 HG SER 74 HG SER 74 6.998 -7.039 11.713 493 H VAL 75 H VAL 75 8.794 -4.928 9.149 494 HA VAL 75 HA VAL 75 9.885 -6.263 6.771 495 HB VAL 75 HB VAL 75 11.205 -4.203 8.556 496 HG11 VAL 75 2HG1 VAL 75 12.805 -5.661 7.426 497 HG12 VAL 75 1HG1 VAL 75 12.864 -4.030 6.762 498 HG13 VAL 75 3HG1 VAL 75 12.040 -5.311 5.874 499 HG21 VAL 75 3HG2 VAL 75 9.937 -3.864 5.843 500 HG22 VAL 75 2HG2 VAL 75 10.819 -2.624 6.735 501 HG23 VAL 75 1HG2 VAL 75 9.299 -3.255 7.370 502 H ASN 76 H ASN 76 11.236 -7.971 6.972 503 HA ASN 76 HA ASN 76 11.250 -9.299 9.488 504 HB2 ASN 76 HB2 ASN 76 12.550 -9.982 6.850 505 HB3 ASN 76 HB3 ASN 76 12.607 -11.034 8.259 506 HD21 ASN 76 1HD2 ASN 76 11.420 -11.480 5.631 507 HD22 ASN 76 2HD2 ASN 76 9.752 -11.837 5.911 508 H SER 77 H SER 77 13.395 -10.401 10.196 509 HA SER 77 HA SER 77 15.022 -8.266 11.160 510 HB2 SER 77 HB2 SER 77 15.493 -11.243 11.414 511 HB3 SER 77 HB3 SER 77 16.139 -9.972 12.452 512 HG SER 77 HG SER 77 14.416 -10.654 13.561 513 H ASP 78 H ASP 78 15.250 -10.523 8.545 514 HA ASP 78 HA ASP 78 18.105 -10.246 8.234 515 HB2 ASP 78 HB2 ASP 78 17.782 -11.629 6.214 516 HB3 ASP 78 HB3 ASP 78 17.051 -12.356 7.641 517 H GLY 79 H GLY 79 15.256 -8.676 7.030 518 HA2 GLY 79 HA1 GLY 79 15.854 -6.395 6.115 519 HA3 GLY 79 HA2 GLY 79 16.900 -7.278 5.014 520 H SER 80 H SER 80 14.813 -9.459 4.845 521 HA SER 80 HA SER 80 13.394 -8.470 2.604 522 HB2 SER 80 HB2 SER 80 12.786 -10.925 4.268 523 HB3 SER 80 HB3 SER 80 12.244 -10.616 2.617 524 HG SER 80 HG SER 80 14.813 -11.248 3.582 525 H VAL 81 H VAL 81 11.230 -7.917 2.382 526 HA VAL 81 HA VAL 81 9.963 -7.061 4.896 527 HB VAL 81 HB VAL 81 9.642 -5.905 2.120 528 HG11 VAL 81 2HG1 VAL 81 7.628 -5.670 3.497 529 HG12 VAL 81 1HG1 VAL 81 8.411 -4.114 3.218 530 HG13 VAL 81 3HG1 VAL 81 8.590 -4.925 4.774 531 HG21 VAL 81 3HG2 VAL 81 11.844 -5.445 3.024 532 HG22 VAL 81 2HG2 VAL 81 11.133 -4.879 4.535 533 HG23 VAL 81 1HG2 VAL 81 10.869 -3.975 3.043 534 H THR 82 H THR 82 8.065 -7.872 5.435 535 HA THR 82 HA THR 82 6.616 -9.565 3.551 536 HB THR 82 HB THR 82 6.009 -9.059 6.475 537 HG1 THR 82 HG1 THR 82 7.463 -11.262 5.374 538 HG21 THR 82 3HG2 THR 82 5.215 -11.301 4.607 539 HG22 THR 82 1HG2 THR 82 4.157 -10.017 5.191 540 HG23 THR 82 2HG2 THR 82 4.812 -11.202 6.320 541 H ILE 83 H ILE 83 5.174 -8.550 2.296 542 HA ILE 83 HA ILE 83 3.622 -6.345 3.476 543 HB ILE 83 HB ILE 83 3.269 -5.511 1.166 544 HG12 ILE 83 2HG1 ILE 83 5.098 -6.394 -0.499 545 HG13 ILE 83 3HG1 ILE 83 5.031 -7.845 0.491 546 HG21 ILE 83 2HG2 ILE 83 6.142 -5.755 2.030 547 HG22 ILE 83 1HG2 ILE 83 4.988 -4.521 2.538 548 HG23 ILE 83 3HG2 ILE 83 5.526 -4.589 0.859 549 HD11 ILE 83 3HD1 ILE 83 2.624 -8.016 0.032 550 HD12 ILE 83 2HD1 ILE 83 3.598 -8.069 -1.434 551 HD13 ILE 83 1HD1 ILE 83 2.740 -6.594 -1.005 552 H SER 84 H SER 84 1.431 -6.085 2.446 553 HA SER 84 HA SER 84 0.309 -8.585 1.432 554 HB2 SER 84 HB2 SER 84 -0.038 -8.441 3.940 555 HB3 SER 84 HB3 SER 84 -1.040 -7.022 3.641 556 HG SER 84 HG SER 84 -2.522 -8.551 3.540 557 H GLU 85 H GLU 85 -0.634 -8.108 -0.401 558 HA GLU 85 HA GLU 85 -2.074 -5.567 -0.693 559 HB2 GLU 85 HB2 GLU 85 -1.220 -5.433 -3.038 560 HB3 GLU 85 HB3 GLU 85 0.027 -5.237 -1.814 561 HG2 GLU 85 HG2 GLU 85 0.718 -7.554 -2.142 562 HG3 GLU 85 HG3 GLU 85 -0.536 -7.755 -3.366 563 H MET 86 H MET 86 -4.137 -6.067 -1.000 564 HA MET 86 HA MET 86 -4.911 -8.630 -2.043 565 HB2 MET 86 HB2 MET 86 -6.140 -7.631 -0.184 566 HB3 MET 86 HB3 MET 86 -6.571 -6.257 -1.191 567 HG2 MET 86 HG2 MET 86 -7.922 -7.626 -2.599 568 HG3 MET 86 HG3 MET 86 -7.376 -9.087 -1.779 569 HE1 MET 86 HE1 MET 86 -7.439 -8.504 1.228 570 HE2 MET 86 HE2 MET 86 -9.099 -8.895 1.673 571 HE3 MET 86 HE3 MET 86 -8.229 -9.914 0.525 572 H ASN 87 H ASN 87 -5.352 -9.110 -4.048 573 HA ASN 87 HA ASN 87 -6.210 -9.055 -6.131 574 HB2 ASN 87 HB2 ASN 87 -8.058 -7.684 -5.338 575 HB3 ASN 87 HB3 ASN 87 -7.073 -6.232 -5.501 576 HD21 ASN 87 1HD2 ASN 87 -8.591 -5.354 -6.942 577 HD22 ASN 87 2HD2 ASN 87 -8.710 -5.896 -8.575 578 H TYR 88 H TYR 88 -4.909 -5.745 -5.631 579 HA TYR 88 HA TYR 88 -3.413 -4.528 -6.868 580 HB2 TYR 88 HB2 TYR 88 -1.891 -6.342 -6.114 581 HB3 TYR 88 HB3 TYR 88 -2.287 -7.260 -7.557 582 HD1 TYR 88 HD1 TYR 88 -1.361 -3.662 -7.048 583 HD2 TYR 88 HD2 TYR 88 -0.415 -7.379 -8.892 584 HE1 TYR 88 HE1 TYR 88 0.514 -2.596 -8.229 585 HE2 TYR 88 HE2 TYR 88 1.459 -6.321 -10.080 586 HH TYR 88 HH TYR 88 2.219 -4.154 -10.783 587 H SER 89 H SER 89 -5.913 -5.409 -8.061 588 HA SER 89 HA SER 89 -7.061 -5.287 -10.003 589 HB2 SER 89 HB2 SER 89 -4.491 -4.071 -11.038 590 HB3 SER 89 HB3 SER 89 -6.038 -4.042 -11.886 591 HG SER 89 HG SER 89 -6.385 -3.168 -9.378 592 H GLY 90 H GLY 90 -6.036 -7.750 -9.421 593 HA2 GLY 90 HA1 GLY 90 -5.497 -8.797 -12.126 594 HA3 GLY 90 HA2 GLY 90 -4.695 -9.455 -10.706 595 H GLY 91 H GLY 91 -6.422 -9.903 -8.889 596 HA2 GLY 91 HA1 GLY 91 -8.893 -11.002 -10.014 597 HA3 GLY 91 HA2 GLY 91 -7.843 -12.076 -9.092 598 HA PRO 92 HA PRO 92 -10.302 -8.404 -6.629 599 HB2 PRO 92 HB2 PRO 92 -12.618 -10.266 -7.031 600 HB3 PRO 92 HB3 PRO 92 -12.614 -8.515 -6.767 601 HG2 PRO 92 HG2 PRO 92 -12.927 -9.483 -9.214 602 HG3 PRO 92 HG3 PRO 92 -11.906 -8.056 -8.937 603 HD2 PRO 92 HD2 PRO 92 -11.117 -10.859 -9.557 604 HD3 PRO 92 HD3 PRO 92 -10.306 -9.338 -9.974 605 H PHE 93 H PHE 93 -9.484 -8.736 -4.735 606 HA PHE 93 HA PHE 93 -9.372 -9.360 -2.584 607 HB2 PHE 93 HB2 PHE 93 -11.360 -11.494 -3.325 608 HB3 PHE 93 HB3 PHE 93 -10.682 -11.287 -1.711 609 HD1 PHE 93 HD1 PHE 93 -12.819 -9.749 -4.287 610 HD2 PHE 93 HD2 PHE 93 -11.444 -9.563 -0.263 611 HE1 PHE 93 HE1 PHE 93 -14.570 -8.103 -3.768 612 HE2 PHE 93 HE2 PHE 93 -13.192 -7.914 0.261 613 HZ PHE 93 HZ PHE 93 -14.761 -7.181 -1.492 614 H SER 94 H SER 94 -8.035 -11.004 -5.078 615 HA SER 94 HA SER 94 -6.879 -13.147 -3.568 616 HB2 SER 94 HB2 SER 94 -5.075 -13.157 -5.329 617 HB3 SER 94 HB3 SER 94 -6.714 -13.353 -5.967 618 HG SER 94 HG SER 94 -6.687 -11.177 -6.577 619 H VAL 95 H VAL 95 -6.251 -12.256 -1.616 620 HA VAL 95 HA VAL 95 -4.594 -10.008 -1.410 621 HB VAL 95 HB VAL 95 -5.744 -10.690 0.552 622 HG11 VAL 95 2HG1 VAL 95 -4.244 -13.295 0.409 623 HG12 VAL 95 1HG1 VAL 95 -5.964 -13.055 0.101 624 HG13 VAL 95 3HG1 VAL 95 -5.314 -12.794 1.718 625 HG21 VAL 95 3HG2 VAL 95 -3.598 -9.634 0.950 626 HG22 VAL 95 2HG2 VAL 95 -2.800 -11.208 0.929 627 HG23 VAL 95 1HG2 VAL 95 -3.950 -10.818 2.209 628 H SER 96 H SER 96 -2.793 -9.936 -2.591 629 HA SER 96 HA SER 96 -1.421 -12.350 -3.323 630 HB2 SER 96 HB2 SER 96 -0.798 -9.488 -4.069 631 HB3 SER 96 HB3 SER 96 -0.214 -10.941 -4.883 632 HG SER 96 HG SER 96 -2.964 -10.735 -4.610 633 H SER 97 H SER 97 0.595 -12.949 -2.830 634 HA SER 97 HA SER 97 1.831 -11.526 -0.566 635 HB2 SER 97 HB2 SER 97 2.984 -13.742 -0.170 636 HB3 SER 97 HB3 SER 97 1.232 -13.757 0.036 637 HG SER 97 HG SER 97 2.806 -14.846 -2.030 638 H ARG 98 H ARG 98 3.646 -10.451 -0.896 639 HA ARG 98 HA ARG 98 5.563 -11.459 -2.884 640 HB2 ARG 98 HB2 ARG 98 4.384 -8.747 -2.680 641 HB3 ARG 98 HB3 ARG 98 6.109 -8.822 -2.979 642 HG2 ARG 98 HG2 ARG 98 4.021 -10.190 -4.656 643 HG3 ARG 98 HG3 ARG 98 4.745 -8.625 -5.029 644 HD2 ARG 98 HD2 ARG 98 6.991 -9.930 -4.803 645 HD3 ARG 98 HD3 ARG 98 5.975 -11.349 -5.060 646 HE ARG 98 HE ARG 98 6.101 -9.105 -6.975 647 HH11 ARG 98 2HH1 ARG 98 6.001 -12.554 -6.291 648 HH12 ARG 98 1HH1 ARG 98 6.124 -13.002 -7.968 649 HH21 ARG 98 2HH2 ARG 98 6.255 -9.705 -9.159 650 HH22 ARG 98 1HH2 ARG 98 6.238 -11.392 -9.594 651 H THR 99 H THR 99 7.562 -11.659 -2.131 652 HA THR 99 HA THR 99 8.147 -10.609 0.541 653 HB THR 99 HB THR 99 9.746 -12.602 -1.087 654 HG1 THR 99 HG1 THR 99 7.987 -13.756 -0.587 655 HG21 THR 99 3HG2 THR 99 9.845 -11.872 1.846 656 HG22 THR 99 1HG2 THR 99 11.053 -11.446 0.632 657 HG23 THR 99 2HG2 THR 99 10.797 -13.136 1.066 658 H ILE 100 H ILE 100 8.744 -8.522 0.260 659 HA ILE 100 HA ILE 100 10.311 -7.649 -1.976 660 HB ILE 100 HB ILE 100 9.708 -6.147 0.580 661 HG12 ILE 100 2HG1 ILE 100 7.615 -6.793 -0.467 662 HG13 ILE 100 3HG1 ILE 100 7.888 -5.068 -0.715 663 HG21 ILE 100 2HG2 ILE 100 10.130 -4.144 -0.769 664 HG22 ILE 100 1HG2 ILE 100 10.567 -5.166 -2.137 665 HG23 ILE 100 3HG2 ILE 100 11.547 -5.189 -0.672 666 HD11 ILE 100 3HD1 ILE 100 7.006 -6.146 -2.713 667 HD12 ILE 100 2HD1 ILE 100 8.394 -7.232 -2.747 668 HD13 ILE 100 1HD1 ILE 100 8.625 -5.500 -2.991 669 H SER 101 H SER 101 12.413 -8.262 -2.093 670 HA SER 101 HA SER 101 14.042 -8.458 0.277 671 HB2 SER 101 HB2 SER 101 14.528 -9.912 -1.620 672 HB3 SER 101 HB3 SER 101 14.775 -8.513 -2.665 673 HG SER 101 HG SER 101 16.618 -9.739 -1.357 674 H ALA 102 H ALA 102 16.002 -7.108 0.565 675 HA ALA 102 HA ALA 102 15.479 -4.401 0.683 676 HB1 ALA 102 HB1 ALA 102 17.242 -5.521 1.963 677 HB2 ALA 102 HB2 ALA 102 18.195 -5.694 0.489 678 HB3 ALA 102 HB3 ALA 102 17.846 -4.088 1.130 679 H SER 103 H SER 103 16.820 -6.266 -1.952 680 HA SER 103 HA SER 103 17.862 -4.233 -3.551 681 HB2 SER 103 HB2 SER 103 16.432 -6.711 -4.540 682 HB3 SER 103 HB3 SER 103 17.698 -5.804 -5.369 683 HG SER 103 HG SER 103 19.126 -6.422 -3.663 684 H GLU 104 H GLU 104 14.558 -5.515 -3.313 685 HA GLU 104 HA GLU 104 13.589 -3.571 -5.236 686 HB2 GLU 104 HB2 GLU 104 12.007 -5.510 -3.541 687 HB3 GLU 104 HB3 GLU 104 11.399 -4.572 -4.893 688 HG2 GLU 104 HG2 GLU 104 11.707 -6.538 -5.950 689 HG3 GLU 104 HG3 GLU 104 13.318 -5.859 -6.173 690 H ALA 105 H ALA 105 13.827 -3.980 -1.803 691 HA ALA 105 HA ALA 105 11.818 -2.261 -0.920 692 HB1 ALA 105 HB1 ALA 105 13.083 -2.082 1.149 693 HB2 ALA 105 HB2 ALA 105 13.087 -3.743 0.558 694 HB3 ALA 105 HB3 ALA 105 14.513 -2.731 0.346 695 H GLY 106 H GLY 106 15.114 -1.557 -1.969 696 HA2 GLY 106 HA1 GLY 106 14.962 1.241 -1.385 697 HA3 GLY 106 HA2 GLY 106 16.166 0.449 -2.392 698 H ASN 107 H ASN 107 13.482 -0.605 -3.753 699 HA ASN 107 HA ASN 107 13.551 1.423 -5.841 700 HB2 ASN 107 HB2 ASN 107 13.671 -0.847 -6.603 701 HB3 ASN 107 HB3 ASN 107 12.267 -1.307 -5.646 702 HD21 ASN 107 1HD2 ASN 107 10.210 -0.890 -6.438 703 HD22 ASN 107 2HD2 ASN 107 9.931 -0.336 -8.048 704 H TYR 108 H TYR 108 11.361 0.141 -3.429 705 HA TYR 108 HA TYR 108 9.107 1.595 -4.548 706 HB2 TYR 108 HB2 TYR 108 9.314 -0.205 -2.136 707 HB3 TYR 108 HB3 TYR 108 7.826 0.532 -2.712 708 HD1 TYR 108 HD2 TYR 108 6.917 -0.156 -4.948 709 HD2 TYR 108 HD1 TYR 108 10.134 -2.210 -3.076 710 HE1 TYR 108 HE2 TYR 108 6.503 -2.108 -6.386 711 HE2 TYR 108 HE1 TYR 108 9.723 -4.166 -4.502 712 HH TYR 108 HH TYR 108 8.032 -5.160 -5.827 713 H ASN 109 H ASN 109 8.151 3.326 -3.679 714 HA ASN 109 HA ASN 109 9.480 4.781 -1.540 715 HB2 ASN 109 HB2 ASN 109 6.987 5.417 -3.150 716 HB3 ASN 109 HB3 ASN 109 7.751 6.513 -2.007 717 HD21 ASN 109 1HD2 ASN 109 7.212 6.711 -4.893 718 HD22 ASN 109 2HD2 ASN 109 8.739 7.083 -5.620 719 H TYR 110 H TYR 110 7.935 5.709 0.213 720 HA TYR 110 HA TYR 110 5.531 4.176 0.649 721 HB2 TYR 110 HB2 TYR 110 6.064 3.184 2.711 722 HB3 TYR 110 HB3 TYR 110 7.450 2.838 1.687 723 HD1 TYR 110 HD2 TYR 110 9.232 4.980 1.848 724 HD2 TYR 110 HD1 TYR 110 6.612 3.580 4.877 725 HE1 TYR 110 HE2 TYR 110 10.691 5.954 3.559 726 HE2 TYR 110 HE1 TYR 110 8.062 4.554 6.600 727 HH TYR 110 HH TYR 110 10.400 5.252 6.870 728 H ILE 111 H ILE 111 3.996 5.378 1.669 729 HA ILE 111 HA ILE 111 4.875 8.015 2.579 730 HB ILE 111 HB ILE 111 2.603 8.781 2.277 731 HG12 ILE 111 2HG1 ILE 111 1.920 5.968 1.405 732 HG13 ILE 111 3HG1 ILE 111 1.487 6.656 2.959 733 HG21 ILE 111 2HG2 ILE 111 3.523 7.139 -0.082 734 HG22 ILE 111 1HG2 ILE 111 4.050 8.775 0.317 735 HG23 ILE 111 3HG2 ILE 111 2.375 8.476 -0.146 736 HD11 ILE 111 3HD1 ILE 111 -0.394 6.688 1.427 737 HD12 ILE 111 2HD1 ILE 111 0.548 7.630 0.270 738 HD13 ILE 111 1HD1 ILE 111 0.111 8.332 1.827 739 H HIS 112 H HIS 112 4.830 8.509 4.656 740 HA HIS 112 HA HIS 112 3.175 6.846 6.424 741 HB2 HIS 112 HB2 HIS 112 4.969 6.720 8.090 742 HB3 HIS 112 HB3 HIS 112 5.447 5.955 6.583 743 HD1 HIS 112 HD1 HIS 112 6.296 8.722 8.892 744 HD2 HIS 112 HD2 HIS 112 7.563 7.277 5.182 745 HE1 HIS 112 HE1 HIS 112 8.476 9.880 8.420 746 HE2 HIS 112 HE2 HIS 112 9.165 9.090 6.134 747 H ILE 113 H ILE 113 2.643 7.866 8.447 748 HA ILE 113 HA ILE 113 1.840 10.553 7.933 749 HB ILE 113 HB ILE 113 1.593 9.168 10.605 750 HG12 ILE 113 2HG1 ILE 113 -0.754 8.537 9.603 751 HG13 ILE 113 3HG1 ILE 113 0.088 8.646 8.063 752 HG21 ILE 113 2HG2 ILE 113 -0.511 10.467 10.706 753 HG22 ILE 113 1HG2 ILE 113 -0.077 11.228 9.175 754 HG23 ILE 113 3HG2 ILE 113 0.932 11.476 10.601 755 HD11 ILE 113 3HD1 ILE 113 1.660 6.937 8.795 756 HD12 ILE 113 2HD1 ILE 113 -0.005 6.360 8.879 757 HD13 ILE 113 1HD1 ILE 113 0.837 6.841 10.352 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 -21.686 1.209 5.996 2 H2 GLY 1 H2 GLY 1 -21.420 2.103 7.406 3 H3 GLY 1 H3 GLY 1 -21.043 2.775 5.894 4 HA2 GLY 1 HA2 GLY 1 -23.083 3.731 6.686 5 HA3 GLY 1 HA1 GLY 1 -23.399 2.725 5.280 6 H SER 2 H SER 2 -24.865 3.578 7.892 7 HA SER 2 HA SER 2 -25.297 1.196 9.377 8 HB2 SER 2 HB2 SER 2 -27.243 2.533 10.328 9 HB3 SER 2 HB3 SER 2 -25.645 3.260 10.496 10 HG SER 2 HG SER 2 -26.110 4.698 8.911 11 H SER 3 H SER 3 -26.715 2.441 6.471 12 HA SER 3 HA SER 3 -29.119 0.878 6.636 13 HB2 SER 3 HB2 SER 3 -29.309 1.509 4.178 14 HB3 SER 3 HB3 SER 3 -29.248 2.855 5.316 15 HG SER 3 HG SER 3 -27.772 2.651 3.266 16 H ILE 4 H ILE 4 -25.971 0.075 6.178 17 HA ILE 4 HA ILE 4 -24.821 -1.702 5.398 18 HB ILE 4 HB ILE 4 -27.436 -3.197 5.592 19 HG12 ILE 4 2HG1 ILE 4 -26.969 -1.991 7.689 20 HG13 ILE 4 3HG1 ILE 4 -26.801 -3.731 7.897 21 HG21 ILE 4 2HG2 ILE 4 -25.990 -5.134 6.023 22 HG22 ILE 4 1HG2 ILE 4 -24.571 -4.118 5.777 23 HG23 ILE 4 3HG2 ILE 4 -25.681 -4.418 4.440 24 HD11 ILE 4 3HD1 ILE 4 -24.567 -1.735 7.592 25 HD12 ILE 4 2HD1 ILE 4 -24.360 -3.483 7.722 26 HD13 ILE 4 1HD1 ILE 4 -25.045 -2.574 9.068 27 H SER 5 H SER 5 -24.693 -0.505 3.388 28 HA SER 5 HA SER 5 -25.843 -2.078 1.178 29 HB2 SER 5 HB2 SER 5 -24.967 0.827 1.067 30 HB3 SER 5 HB3 SER 5 -25.751 -0.091 -0.221 31 HG SER 5 HG SER 5 -27.527 -0.363 1.361 32 H HIS 6 H HIS 6 -23.144 0.014 2.110 33 HA HIS 6 HA HIS 6 -21.308 -2.064 1.165 34 HB2 HIS 6 HB2 HIS 6 -21.294 -0.160 -0.454 35 HB3 HIS 6 HB3 HIS 6 -20.844 0.919 0.863 36 HD1 HIS 6 HD1 HIS 6 -18.410 0.759 1.764 37 HD2 HIS 6 HD2 HIS 6 -19.234 -1.776 -1.433 38 HE1 HIS 6 HE1 HIS 6 -16.180 -0.081 0.963 39 HE2 HIS 6 HE2 HIS 6 -16.691 -1.486 -1.059 40 H SER 7 H SER 7 -19.915 -2.658 2.705 41 HA SER 7 HA SER 7 -19.764 -0.975 5.115 42 HB2 SER 7 HB2 SER 7 -19.278 -3.955 4.905 43 HB3 SER 7 HB3 SER 7 -19.421 -3.002 6.382 44 HG SER 7 HG SER 7 -21.348 -4.198 5.719 45 H GLY 8 H GLY 8 -17.780 -0.442 5.946 46 HA2 GLY 8 HA1 GLY 8 -15.432 -1.186 6.238 47 HA3 GLY 8 HA2 GLY 8 -15.420 -1.505 4.510 48 H ASN 9 H ASN 9 -14.558 0.014 3.265 49 HA ASN 9 HA ASN 9 -14.374 2.738 4.369 50 HB2 ASN 9 HB2 ASN 9 -12.233 3.014 3.238 51 HB3 ASN 9 HB3 ASN 9 -12.177 1.637 4.328 52 HD21 ASN 9 1HD2 ASN 9 -11.885 -0.389 3.514 53 HD22 ASN 9 2HD2 ASN 9 -11.510 -0.704 1.857 54 H LEU 10 H LEU 10 -13.227 3.784 1.891 55 HA LEU 10 HA LEU 10 -15.767 4.413 0.694 56 HB2 LEU 10 HB2 LEU 10 -13.000 5.388 0.016 57 HB3 LEU 10 HB3 LEU 10 -14.499 6.069 -0.584 58 HG LEU 10 HG LEU 10 -13.602 6.076 2.303 59 HD11 LEU 10 2HD1 LEU 10 -13.351 8.485 1.972 60 HD12 LEU 10 1HD1 LEU 10 -13.754 8.293 0.266 61 HD13 LEU 10 3HD1 LEU 10 -12.280 7.570 0.912 62 HD21 LEU 10 3HD2 LEU 10 -16.000 7.366 0.998 63 HD22 LEU 10 2HD2 LEU 10 -15.525 7.514 2.690 64 HD23 LEU 10 1HD2 LEU 10 -16.044 5.954 2.054 65 H TYR 11 H TYR 11 -13.055 2.384 -0.126 66 HA TYR 11 HA TYR 11 -13.510 2.619 -2.971 67 HB2 TYR 11 HB2 TYR 11 -11.280 2.091 -1.499 68 HB3 TYR 11 HB3 TYR 11 -11.726 0.472 -2.029 69 HD1 TYR 11 HD2 TYR 11 -10.884 3.876 -3.220 70 HD2 TYR 11 HD1 TYR 11 -11.357 -0.218 -4.272 71 HE1 TYR 11 HE2 TYR 11 -9.877 4.328 -5.416 72 HE2 TYR 11 HE1 TYR 11 -10.350 0.224 -6.468 73 HH TYR 11 HH TYR 11 -10.020 2.139 -7.992 74 H THR 12 H THR 12 -13.061 0.091 -3.913 75 HA THR 12 HA THR 12 -15.737 -0.852 -3.923 76 HB THR 12 HB THR 12 -13.326 -2.235 -5.104 77 HG1 THR 12 HG1 THR 12 -14.935 -0.356 -6.494 78 HG21 THR 12 3HG2 THR 12 -14.916 -3.037 -6.775 79 HG22 THR 12 1HG2 THR 12 -16.223 -2.178 -5.959 80 HG23 THR 12 2HG2 THR 12 -15.413 -3.523 -5.154 81 H ALA 13 H ALA 13 -13.267 -3.269 -3.900 82 HA ALA 13 HA ALA 13 -13.398 -4.251 -1.310 83 HB1 ALA 13 HB1 ALA 13 -15.343 -5.635 -3.169 84 HB2 ALA 13 HB2 ALA 13 -14.921 -6.148 -1.536 85 HB3 ALA 13 HB3 ALA 13 -15.793 -4.636 -1.788 86 H GLY 14 H GLY 14 -11.623 -5.468 -1.193 87 HA2 GLY 14 HA1 GLY 14 -9.860 -6.792 -1.843 88 HA3 GLY 14 HA2 GLY 14 -10.915 -7.444 -3.092 89 H GLN 15 H GLN 15 -9.630 -4.193 -2.488 90 HA GLN 15 HA GLN 15 -8.456 -4.281 -5.191 91 HB2 GLN 15 HB2 GLN 15 -9.576 -1.903 -3.693 92 HB3 GLN 15 HB3 GLN 15 -8.733 -1.804 -5.233 93 HG2 GLN 15 HG2 GLN 15 -11.247 -3.401 -4.815 94 HG3 GLN 15 HG3 GLN 15 -11.225 -1.728 -5.371 95 HE21 GLN 15 1HE2 GLN 15 -10.242 -4.990 -6.128 96 HE22 GLN 15 2HE2 GLN 15 -10.146 -4.770 -7.848 97 H CYS 16 H CYS 16 -6.506 -2.997 -5.481 98 HA CYS 16 HA CYS 16 -4.540 -3.621 -3.597 99 HB2 CYS 16 HB2 CYS 16 -3.152 -1.956 -4.960 100 HB3 CYS 16 HB3 CYS 16 -3.831 -3.334 -5.821 101 HG CYS 16 HG CYS 16 -3.907 -0.820 -7.280 102 H THR 17 H THR 17 -6.334 -0.623 -4.145 103 HA THR 17 HA THR 17 -4.830 0.668 -1.980 104 HB THR 17 HB THR 17 -6.021 2.734 -2.669 105 HG1 THR 17 HG1 THR 17 -7.832 2.361 -3.726 106 HG21 THR 17 3HG2 THR 17 -4.673 1.244 -4.921 107 HG22 THR 17 1HG2 THR 17 -3.867 2.202 -3.678 108 HG23 THR 17 2HG2 THR 17 -4.923 2.988 -4.852 109 H TRP 18 H TRP 18 -7.421 -1.275 -2.248 110 HA TRP 18 HA TRP 18 -9.181 0.054 -0.364 111 HB2 TRP 18 HB2 TRP 18 -10.185 -1.174 -2.198 112 HB3 TRP 18 HB3 TRP 18 -9.302 -2.627 -1.754 113 HD1 TRP 18 HD1 TRP 18 -12.354 -0.563 -0.801 114 HE1 TRP 18 HE1 TRP 18 -13.824 -1.962 0.780 115 HE3 TRP 18 HE3 TRP 18 -9.191 -4.495 0.036 116 HZ2 TRP 18 HZ2 TRP 18 -13.682 -4.380 2.187 117 HZ3 TRP 18 HZ3 TRP 18 -9.945 -6.307 1.516 118 HH2 TRP 18 HH2 TRP 18 -12.140 -6.251 2.569 119 H TYR 19 H TYR 19 -7.277 -2.961 -0.525 120 HA TYR 19 HA TYR 19 -7.795 -3.812 2.101 121 HB2 TYR 19 HB2 TYR 19 -6.866 -5.317 0.429 122 HB3 TYR 19 HB3 TYR 19 -5.407 -4.343 0.316 123 HD1 TYR 19 HD2 TYR 19 -7.306 -6.659 2.482 124 HD2 TYR 19 HD1 TYR 19 -3.626 -4.610 1.885 125 HE1 TYR 19 HE2 TYR 19 -6.258 -8.040 4.228 126 HE2 TYR 19 HE1 TYR 19 -2.570 -5.985 3.623 127 HH TYR 19 HH TYR 19 -3.366 -7.292 5.678 128 H VAL 20 H VAL 20 -5.196 -1.856 0.754 129 HA VAL 20 HA VAL 20 -3.652 -1.470 3.029 130 HB VAL 20 HB VAL 20 -4.197 0.476 0.780 131 HG11 VAL 20 2HG1 VAL 20 -3.319 1.639 2.722 132 HG12 VAL 20 1HG1 VAL 20 -2.095 1.550 1.455 133 HG13 VAL 20 3HG1 VAL 20 -2.003 0.473 2.848 134 HG21 VAL 20 3HG2 VAL 20 -3.257 -1.617 0.001 135 HG22 VAL 20 2HG2 VAL 20 -1.976 -1.519 1.208 136 HG23 VAL 20 1HG2 VAL 20 -2.047 -0.338 -0.099 137 H TYR 21 H TYR 21 -6.355 0.529 1.837 138 HA TYR 21 HA TYR 21 -6.176 2.428 3.922 139 HB2 TYR 21 HB2 TYR 21 -7.297 2.739 1.658 140 HB3 TYR 21 HB3 TYR 21 -8.657 1.835 2.310 141 HD1 TYR 21 HD1 TYR 21 -6.513 4.764 3.169 142 HD2 TYR 21 HD2 TYR 21 -10.376 2.996 3.292 143 HE1 TYR 21 HE1 TYR 21 -7.406 6.817 4.172 144 HE2 TYR 21 HE2 TYR 21 -11.292 5.043 4.283 145 HH TYR 21 HH TYR 21 -9.505 7.976 4.463 146 H ASP 22 H ASP 22 -7.965 -0.553 3.545 147 HA ASP 22 HA ASP 22 -9.663 -0.191 5.796 148 HB2 ASP 22 HB2 ASP 22 -10.133 -1.770 3.932 149 HB3 ASP 22 HB3 ASP 22 -8.792 -2.771 4.476 150 H LYS 23 H LYS 23 -6.559 -1.811 5.297 151 HA LYS 23 HA LYS 23 -6.321 -2.855 7.914 152 HB2 LYS 23 HB2 LYS 23 -4.435 -2.415 5.646 153 HB3 LYS 23 HB3 LYS 23 -3.773 -2.793 7.230 154 HG2 LYS 23 HG2 LYS 23 -5.838 -4.477 5.832 155 HG3 LYS 23 HG3 LYS 23 -4.098 -4.754 5.732 156 HD2 LYS 23 HD2 LYS 23 -5.739 -4.757 8.268 157 HD3 LYS 23 HD3 LYS 23 -5.144 -6.189 7.424 158 HE2 LYS 23 HE2 LYS 23 -2.826 -5.364 7.766 159 HE3 LYS 23 HE3 LYS 23 -3.476 -4.023 8.706 160 HZ1 LYS 23 HZ1 LYS 23 -2.702 -5.803 10.131 161 HZ2 LYS 23 HZ2 LYS 23 -3.742 -6.906 9.372 162 HZ3 LYS 23 HZ3 LYS 23 -4.384 -5.624 10.281 163 H VAL 24 H VAL 24 -5.441 0.270 6.532 164 HA VAL 24 HA VAL 24 -3.994 1.019 8.925 165 HB VAL 24 HB VAL 24 -3.671 3.205 7.899 166 HG11 VAL 24 2HG1 VAL 24 -2.357 2.513 5.965 167 HG12 VAL 24 1HG1 VAL 24 -3.179 0.953 5.955 168 HG13 VAL 24 3HG1 VAL 24 -2.144 1.394 7.313 169 HG21 VAL 24 3HG2 VAL 24 -4.500 3.683 5.641 170 HG22 VAL 24 2HG2 VAL 24 -5.820 3.470 6.793 171 HG23 VAL 24 1HG2 VAL 24 -5.416 2.177 5.663 172 H GLY 25 H GLY 25 -7.201 0.768 8.202 173 HA2 GLY 25 HA1 GLY 25 -9.016 1.323 9.522 174 HA3 GLY 25 HA2 GLY 25 -7.923 2.189 10.589 175 H GLY 26 H GLY 26 -7.360 3.294 7.541 176 HA2 GLY 26 HA1 GLY 26 -8.302 4.998 6.249 177 HA3 GLY 26 HA2 GLY 26 -9.559 5.190 7.461 178 H GLU 27 H GLU 27 -6.658 5.137 9.090 179 HA GLU 27 HA GLU 27 -6.857 7.899 9.701 180 HB2 GLU 27 HB2 GLU 27 -5.007 7.561 11.178 181 HB3 GLU 27 HB3 GLU 27 -6.053 6.160 11.295 182 HG2 GLU 27 HG2 GLU 27 -4.521 4.934 9.810 183 HG3 GLU 27 HG3 GLU 27 -3.451 6.338 9.793 184 H ILE 28 H ILE 28 -5.129 6.126 7.317 185 HA ILE 28 HA ILE 28 -3.920 8.638 6.409 186 HB ILE 28 HB ILE 28 -1.869 7.810 6.676 187 HG12 ILE 28 2HG1 ILE 28 -2.553 7.032 4.210 188 HG13 ILE 28 3HG1 ILE 28 -0.954 6.690 4.887 189 HG21 ILE 28 2HG2 ILE 28 -3.055 5.081 7.140 190 HG22 ILE 28 1HG2 ILE 28 -2.683 6.287 8.371 191 HG23 ILE 28 3HG2 ILE 28 -1.380 5.542 7.445 192 HD11 ILE 28 3HD1 ILE 28 -3.306 4.803 4.784 193 HD12 ILE 28 2HD1 ILE 28 -1.735 4.444 5.504 194 HD13 ILE 28 1HD1 ILE 28 -1.863 4.745 3.771 195 H GLY 29 H GLY 29 -4.345 9.162 4.338 196 HA2 GLY 29 HA1 GLY 29 -4.232 8.456 2.031 197 HA3 GLY 29 HA2 GLY 29 -5.007 6.957 2.508 198 H SER 30 H SER 30 -6.720 6.940 1.283 199 HA SER 30 HA SER 30 -8.804 7.274 0.534 200 HB2 SER 30 HB2 SER 30 -10.397 8.580 1.668 201 HB3 SER 30 HB3 SER 30 -9.280 8.050 2.921 202 HG SER 30 HG SER 30 -8.251 10.123 2.715 203 H THR 31 H THR 31 -6.875 10.223 0.810 204 HA THR 31 HA THR 31 -8.103 11.221 -1.655 205 HB THR 31 HB THR 31 -6.780 13.304 -1.119 206 HG1 THR 31 HG1 THR 31 -5.691 13.420 0.767 207 HG21 THR 31 3HG2 THR 31 -8.256 14.011 0.712 208 HG22 THR 31 1HG2 THR 31 -8.715 12.330 0.988 209 HG23 THR 31 2HG2 THR 31 -9.143 13.124 -0.527 210 H TRP 32 H TRP 32 -5.888 9.054 -1.181 211 HA TRP 32 HA TRP 32 -3.601 10.262 -2.473 212 HB2 TRP 32 HB2 TRP 32 -2.493 8.117 -2.134 213 HB3 TRP 32 HB3 TRP 32 -3.244 8.673 -0.645 214 HD1 TRP 32 HD1 TRP 32 -5.254 6.912 -3.375 215 HE1 TRP 32 HE1 TRP 32 -6.075 4.681 -2.486 216 HE3 TRP 32 HE3 TRP 32 -2.739 6.863 1.058 217 HZ2 TRP 32 HZ2 TRP 32 -5.724 3.068 -0.178 218 HZ3 TRP 32 HZ3 TRP 32 -3.039 4.929 2.553 219 HH2 TRP 32 HH2 TRP 32 -4.501 3.074 1.950 220 H GLY 33 H GLY 33 -6.433 9.140 -3.666 221 HA2 GLY 33 HA1 GLY 33 -7.075 8.642 -5.824 222 HA3 GLY 33 HA2 GLY 33 -5.409 8.901 -6.315 223 H ASN 34 H ASN 34 -4.458 7.214 -7.165 224 HA ASN 34 HA ASN 34 -5.137 4.548 -6.126 225 HB2 ASN 34 HB2 ASN 34 -4.525 5.266 -9.005 226 HB3 ASN 34 HB3 ASN 34 -4.721 3.635 -8.376 227 HD21 ASN 34 1HD2 ASN 34 -6.889 4.313 -6.607 228 HD22 ASN 34 2HD2 ASN 34 -8.280 4.532 -7.605 229 H ALA 35 H ALA 35 -3.288 2.987 -7.133 230 HA ALA 35 HA ALA 35 -1.202 3.487 -5.348 231 HB1 ALA 35 HB1 ALA 35 -1.923 1.257 -5.986 232 HB2 ALA 35 HB2 ALA 35 -1.295 1.511 -7.615 233 HB3 ALA 35 HB3 ALA 35 -0.191 1.462 -6.243 234 H ASN 36 H ASN 36 -1.463 4.327 -8.714 235 HA ASN 36 HA ASN 36 1.379 4.566 -9.102 236 HB2 ASN 36 HB2 ASN 36 0.745 5.584 -11.305 237 HB3 ASN 36 HB3 ASN 36 0.123 3.961 -11.032 238 HD21 ASN 36 1HD2 ASN 36 -0.768 6.092 -12.825 239 HD22 ASN 36 2HD2 ASN 36 -2.436 6.351 -12.439 240 H ASN 37 H ASN 37 -1.292 6.789 -8.495 241 HA ASN 37 HA ASN 37 0.537 9.042 -8.644 242 HB2 ASN 37 HB2 ASN 37 -1.432 10.406 -8.584 243 HB3 ASN 37 HB3 ASN 37 -1.677 9.133 -9.757 244 HD21 ASN 37 1HD2 ASN 37 -2.686 10.531 -6.797 245 HD22 ASN 37 2HD2 ASN 37 -4.074 9.537 -6.548 246 H TRP 38 H TRP 38 0.138 6.883 -6.438 247 HA TRP 38 HA TRP 38 -0.859 7.902 -4.107 248 HB2 TRP 38 HB2 TRP 38 1.032 5.823 -4.819 249 HB3 TRP 38 HB3 TRP 38 1.429 6.589 -3.275 250 HD1 TRP 38 HD1 TRP 38 -2.097 5.729 -4.652 251 HE1 TRP 38 HE1 TRP 38 -3.213 4.214 -2.890 252 HE3 TRP 38 HE3 TRP 38 1.799 5.264 -1.402 253 HZ2 TRP 38 HZ2 TRP 38 -2.518 3.034 -0.361 254 HZ3 TRP 38 HZ3 TRP 38 1.504 3.955 0.640 255 HH2 TRP 38 HH2 TRP 38 -0.601 2.861 1.135 256 H ALA 39 H ALA 39 2.613 7.994 -4.933 257 HA ALA 39 HA ALA 39 3.465 9.401 -2.734 258 HB1 ALA 39 HB1 ALA 39 5.434 10.040 -4.054 259 HB2 ALA 39 HB2 ALA 39 5.000 8.348 -4.297 260 HB3 ALA 39 HB3 ALA 39 4.599 9.548 -5.528 261 H ALA 40 H ALA 40 2.244 10.704 -5.791 262 HA ALA 40 HA ALA 40 2.753 13.430 -5.178 263 HB1 ALA 40 HB1 ALA 40 0.797 12.245 -7.144 264 HB2 ALA 40 HB2 ALA 40 1.339 13.922 -7.106 265 HB3 ALA 40 HB3 ALA 40 2.487 12.633 -7.473 266 H ALA 41 H ALA 41 -0.162 11.402 -4.937 267 HA ALA 41 HA ALA 41 -1.823 13.530 -3.996 268 HB1 ALA 41 HB1 ALA 41 -2.716 11.558 -5.170 269 HB2 ALA 41 HB2 ALA 41 -2.271 10.548 -3.794 270 HB3 ALA 41 HB3 ALA 41 -3.490 11.811 -3.608 271 H ALA 42 H ALA 42 -0.042 10.912 -2.472 272 HA ALA 42 HA ALA 42 -0.846 11.225 0.183 273 HB1 ALA 42 HB1 ALA 42 1.379 10.224 0.714 274 HB2 ALA 42 HB2 ALA 42 0.464 9.331 -0.502 275 HB3 ALA 42 HB3 ALA 42 1.802 10.372 -0.990 276 H GLN 43 H GLN 43 1.858 12.749 -1.580 277 HA GLN 43 HA GLN 43 2.724 14.365 0.574 278 HB2 GLN 43 HB2 GLN 43 3.098 14.626 -2.409 279 HB3 GLN 43 HB3 GLN 43 3.854 15.706 -1.246 280 HG2 GLN 43 HG2 GLN 43 5.062 13.870 -0.256 281 HG3 GLN 43 HG3 GLN 43 4.227 12.720 -1.302 282 HE21 GLN 43 1HE2 GLN 43 7.088 13.330 -0.983 283 HE22 GLN 43 2HE2 GLN 43 7.650 13.714 -2.581 284 H GLY 44 H GLY 44 0.232 14.756 -1.832 285 HA2 GLY 44 HA1 GLY 44 -0.286 17.512 -1.426 286 HA3 GLY 44 HA2 GLY 44 -1.431 16.329 -2.046 287 H ALA 45 H ALA 45 -1.391 14.595 0.213 288 HA ALA 45 HA ALA 45 -3.166 15.986 1.980 289 HB1 ALA 45 HB1 ALA 45 -3.295 13.854 3.188 290 HB2 ALA 45 HB2 ALA 45 -3.526 13.634 1.452 291 HB3 ALA 45 HB3 ALA 45 -1.982 13.217 2.195 292 H GLY 46 H GLY 46 0.207 15.177 1.939 293 HA2 GLY 46 HA1 GLY 46 1.522 16.815 3.303 294 HA3 GLY 46 HA2 GLY 46 0.478 16.349 4.635 295 H PHE 47 H PHE 47 1.137 13.680 2.716 296 HA PHE 47 HA PHE 47 2.650 12.442 4.790 297 HB2 PHE 47 HB2 PHE 47 2.197 11.479 1.959 298 HB3 PHE 47 HB3 PHE 47 2.796 10.508 3.290 299 HD1 PHE 47 HD1 PHE 47 0.268 12.605 4.568 300 HD2 PHE 47 HD2 PHE 47 0.855 9.115 2.206 301 HE1 PHE 47 HE1 PHE 47 -2.049 11.903 5.020 302 HE2 PHE 47 HE2 PHE 47 -1.454 8.401 2.648 303 HZ PHE 47 HZ PHE 47 -2.910 9.812 4.052 304 H THR 48 H THR 48 4.775 11.620 4.661 305 HA THR 48 HA THR 48 6.532 13.001 2.735 306 HB THR 48 HB THR 48 7.354 11.794 5.387 307 HG1 THR 48 HG1 THR 48 5.882 13.604 5.624 308 HG21 THR 48 3HG2 THR 48 9.346 13.226 5.077 309 HG22 THR 48 1HG2 THR 48 8.734 13.699 3.491 310 HG23 THR 48 2HG2 THR 48 9.179 12.019 3.801 311 H VAL 49 H VAL 49 7.398 11.684 1.195 312 HA VAL 49 HA VAL 49 6.828 8.840 1.525 313 HB VAL 49 HB VAL 49 6.966 8.608 -0.828 314 HG11 VAL 49 2HG1 VAL 49 4.922 9.649 0.031 315 HG12 VAL 49 1HG1 VAL 49 5.298 10.189 -1.606 316 HG13 VAL 49 3HG1 VAL 49 5.632 11.242 -0.231 317 HG21 VAL 49 3HG2 VAL 49 8.961 9.909 -1.250 318 HG22 VAL 49 2HG2 VAL 49 8.090 11.402 -0.902 319 HG23 VAL 49 1HG2 VAL 49 7.657 10.436 -2.313 320 H ASN 50 H ASN 50 8.316 7.308 0.442 321 HA ASN 50 HA ASN 50 10.272 6.678 -0.626 322 HB2 ASN 50 HB2 ASN 50 11.839 8.144 -1.121 323 HB3 ASN 50 HB3 ASN 50 10.959 9.351 -0.192 324 HD21 ASN 50 1HD2 ASN 50 11.437 8.700 2.392 325 HD22 ASN 50 2HD2 ASN 50 13.133 8.586 2.746 326 H HIS 51 H HIS 51 9.527 6.879 2.603 327 HA HIS 51 HA HIS 51 11.938 6.562 3.903 328 HB2 HIS 51 HB2 HIS 51 9.914 7.125 5.109 329 HB3 HIS 51 HB3 HIS 51 9.244 5.531 4.779 330 HD1 HIS 51 HD1 HIS 51 9.900 3.641 6.341 331 HD2 HIS 51 HD2 HIS 51 12.091 7.106 7.013 332 HE1 HIS 51 HE1 HIS 51 11.148 3.243 8.482 333 HE2 HIS 51 HE2 HIS 51 12.624 5.268 8.756 334 H THR 52 H THR 52 10.747 4.313 1.775 335 HA THR 52 HA THR 52 11.200 2.120 1.381 336 HB THR 52 HB THR 52 13.319 3.019 3.201 337 HG1 THR 52 HG1 THR 52 13.072 1.658 0.741 338 HG21 THR 52 3HG2 THR 52 14.240 0.735 3.597 339 HG22 THR 52 1HG2 THR 52 12.733 0.043 2.996 340 HG23 THR 52 2HG2 THR 52 12.732 1.019 4.465 341 HA PRO 53 HA PRO 53 7.988 0.230 3.614 342 HB2 PRO 53 HB2 PRO 53 9.444 -2.320 3.132 343 HB3 PRO 53 HB3 PRO 53 7.766 -1.895 2.780 344 HG2 PRO 53 HG2 PRO 53 9.564 -1.990 0.830 345 HG3 PRO 53 HG3 PRO 53 8.332 -0.714 0.861 346 HD2 PRO 53 HD2 PRO 53 11.229 -0.574 1.547 347 HD3 PRO 53 HD3 PRO 53 10.196 0.638 0.762 348 H SER 54 H SER 54 7.409 -0.626 5.578 349 HA SER 54 HA SER 54 9.224 -1.867 7.379 350 HB2 SER 54 HB2 SER 54 9.983 0.549 7.456 351 HB3 SER 54 HB3 SER 54 8.388 0.963 8.082 352 HG SER 54 HG SER 54 10.543 -0.141 9.352 353 H LYS 55 H LYS 55 8.114 -2.142 9.557 354 HA LYS 55 HA LYS 55 5.594 -3.271 9.127 355 HB2 LYS 55 HB2 LYS 55 6.886 -4.137 10.901 356 HB3 LYS 55 HB3 LYS 55 7.107 -2.552 11.625 357 HG2 LYS 55 HG2 LYS 55 4.790 -2.501 12.318 358 HG3 LYS 55 HG3 LYS 55 4.487 -4.034 11.496 359 HD2 LYS 55 HD2 LYS 55 5.868 -5.223 13.012 360 HD3 LYS 55 HD3 LYS 55 6.525 -3.732 13.690 361 HE2 LYS 55 HE2 LYS 55 4.868 -4.795 15.173 362 HE3 LYS 55 HE3 LYS 55 4.381 -3.181 14.659 363 HZ1 LYS 55 HZ1 LYS 55 3.401 -5.724 13.464 364 HZ2 LYS 55 HZ2 LYS 55 2.900 -4.157 13.043 365 HZ3 LYS 55 HZ3 LYS 55 2.549 -4.770 14.580 366 H GLY 56 H GLY 56 3.598 -2.508 9.113 367 HA2 GLY 56 HA1 GLY 56 1.762 -1.232 9.710 368 HA3 GLY 56 HA2 GLY 56 2.792 -0.315 10.799 369 H ALA 57 H ALA 57 3.049 -0.859 7.312 370 HA ALA 57 HA ALA 57 2.515 1.954 6.787 371 HB1 ALA 57 HB1 ALA 57 4.642 2.251 5.591 372 HB2 ALA 57 HB2 ALA 57 4.878 1.953 7.313 373 HB3 ALA 57 HB3 ALA 57 5.158 0.659 6.149 374 H ILE 58 H ILE 58 3.556 1.999 4.182 375 HA ILE 58 HA ILE 58 2.277 -0.260 2.839 376 HB ILE 58 HB ILE 58 1.780 2.482 1.744 377 HG12 ILE 58 2HG1 ILE 58 -0.583 2.180 2.805 378 HG13 ILE 58 3HG1 ILE 58 0.246 1.157 3.968 379 HG21 ILE 58 2HG2 ILE 58 0.336 -0.155 1.538 380 HG22 ILE 58 1HG2 ILE 58 1.401 0.562 0.327 381 HG23 ILE 58 3HG2 ILE 58 -0.133 1.336 0.720 382 HD11 ILE 58 3HD1 ILE 58 0.887 4.044 3.406 383 HD12 ILE 58 2HD1 ILE 58 1.667 3.020 4.612 384 HD13 ILE 58 1HD1 ILE 58 -0.038 3.439 4.781 385 H LEU 59 H LEU 59 2.886 -0.534 0.677 386 HA LEU 59 HA LEU 59 5.553 0.424 -0.014 387 HB2 LEU 59 HB2 LEU 59 4.578 -1.997 -0.193 388 HB3 LEU 59 HB3 LEU 59 3.775 -1.402 -1.628 389 HG LEU 59 HG LEU 59 6.242 -0.702 -2.289 390 HD11 LEU 59 2HD1 LEU 59 7.855 -2.359 -1.518 391 HD12 LEU 59 1HD1 LEU 59 6.638 -3.051 -0.445 392 HD13 LEU 59 3HD1 LEU 59 7.220 -1.410 -0.175 393 HD21 LEU 59 3HD2 LEU 59 4.801 -2.163 -3.589 394 HD22 LEU 59 2HD2 LEU 59 5.127 -3.500 -2.484 395 HD23 LEU 59 1HD2 LEU 59 6.424 -2.846 -3.484 396 H GLN 60 H GLN 60 5.914 1.259 -2.266 397 HA GLN 60 HA GLN 60 3.662 1.994 -3.855 398 HB2 GLN 60 HB2 GLN 60 3.768 3.747 -1.984 399 HB3 GLN 60 HB3 GLN 60 5.230 4.327 -2.767 400 HG2 GLN 60 HG2 GLN 60 2.645 4.059 -4.261 401 HG3 GLN 60 HG3 GLN 60 3.009 5.482 -3.296 402 HE21 GLN 60 1HE2 GLN 60 2.586 5.145 -6.186 403 HE22 GLN 60 2HE2 GLN 60 4.000 5.801 -6.944 404 H SER 61 H SER 61 4.173 2.255 -5.873 405 HA SER 61 HA SER 61 6.729 3.243 -6.744 406 HB2 SER 61 HB2 SER 61 7.400 0.955 -6.565 407 HB3 SER 61 HB3 SER 61 5.878 0.381 -7.247 408 HG SER 61 HG SER 61 8.142 0.970 -8.522 409 H SER 62 H SER 62 6.529 4.236 -8.717 410 HA SER 62 HA SER 62 3.819 4.280 -9.824 411 HB2 SER 62 HB2 SER 62 6.169 6.083 -10.459 412 HB3 SER 62 HB3 SER 62 4.484 6.344 -10.916 413 HG SER 62 HG SER 62 5.715 6.557 -8.387 414 H GLU 63 H GLU 63 6.292 2.370 -10.214 415 HA GLU 63 HA GLU 63 6.777 2.493 -13.048 416 HB2 GLU 63 HB2 GLU 63 7.462 0.266 -11.130 417 HB3 GLU 63 HB3 GLU 63 8.213 0.602 -12.684 418 HG2 GLU 63 HG2 GLU 63 9.210 2.609 -11.833 419 HG3 GLU 63 HG3 GLU 63 8.335 2.448 -10.310 420 H GLY 64 H GLY 64 4.164 2.333 -13.052 421 HA2 GLY 64 HA1 GLY 64 3.571 -0.075 -14.394 422 HA3 GLY 64 HA2 GLY 64 2.928 -0.160 -12.759 423 HA PRO 65 HA PRO 65 0.089 2.126 -15.851 424 HB2 PRO 65 HB2 PRO 65 -1.966 0.302 -15.712 425 HB3 PRO 65 HB3 PRO 65 -0.726 0.309 -16.971 426 HG2 PRO 65 HG2 PRO 65 -0.919 -1.364 -14.502 427 HG3 PRO 65 HG3 PRO 65 -0.398 -1.827 -16.135 428 HD2 PRO 65 HD2 PRO 65 1.356 -1.366 -14.142 429 HD3 PRO 65 HD3 PRO 65 1.727 -0.970 -15.834 430 H PHE 66 H PHE 66 -0.684 0.248 -12.942 431 HA PHE 66 HA PHE 66 -2.333 2.508 -12.031 432 HB2 PHE 66 HB2 PHE 66 -2.673 -0.444 -11.509 433 HB3 PHE 66 HB3 PHE 66 -3.543 0.804 -10.624 434 HD1 PHE 66 HD2 PHE 66 -5.075 2.339 -11.877 435 HD2 PHE 66 HD1 PHE 66 -3.400 -1.162 -13.629 436 HE1 PHE 66 HE2 PHE 66 -6.797 2.397 -13.637 437 HE2 PHE 66 HE1 PHE 66 -5.115 -1.109 -15.391 438 HZ PHE 66 HZ PHE 66 -6.817 0.676 -15.395 439 H GLY 67 H GLY 67 0.602 1.650 -11.687 440 HA2 GLY 67 HA1 GLY 67 2.137 2.177 -10.041 441 HA3 GLY 67 HA2 GLY 67 0.798 2.563 -8.972 442 H HIS 68 H HIS 68 2.343 1.506 -7.429 443 HA HIS 68 HA HIS 68 1.674 -1.344 -7.185 444 HB2 HIS 68 HB2 HIS 68 4.493 -0.235 -6.954 445 HB3 HIS 68 HB3 HIS 68 4.011 -1.850 -6.459 446 HD1 HIS 68 HD1 HIS 68 4.161 -3.653 -8.186 447 HD2 HIS 68 HD2 HIS 68 4.335 0.159 -9.839 448 HE1 HIS 68 HE1 HIS 68 4.742 -3.991 -10.602 449 HE2 HIS 68 HE2 HIS 68 5.050 -1.668 -11.526 450 H VAL 69 H VAL 69 0.239 -0.407 -5.411 451 HA VAL 69 HA VAL 69 1.953 0.032 -3.070 452 HB VAL 69 HB VAL 69 0.217 1.245 -1.981 453 HG11 VAL 69 2HG1 VAL 69 0.606 2.167 -4.816 454 HG12 VAL 69 1HG1 VAL 69 1.664 2.491 -3.442 455 HG13 VAL 69 3HG1 VAL 69 0.039 3.176 -3.485 456 HG21 VAL 69 3HG2 VAL 69 -1.729 0.017 -2.818 457 HG22 VAL 69 2HG2 VAL 69 -1.509 0.749 -4.408 458 HG23 VAL 69 1HG2 VAL 69 -1.928 1.758 -3.022 459 H ALA 70 H ALA 70 1.946 -1.351 -1.534 460 HA ALA 70 HA ALA 70 -0.344 -3.113 -1.105 461 HB1 ALA 70 HB1 ALA 70 2.519 -4.061 -1.264 462 HB2 ALA 70 HB2 ALA 70 1.121 -5.049 -0.843 463 HB3 ALA 70 HB3 ALA 70 1.269 -4.377 -2.467 464 H TYR 71 H TYR 71 -0.709 -3.470 1.048 465 HA TYR 71 HA TYR 71 0.504 -1.576 2.790 466 HB2 TYR 71 HB2 TYR 71 -1.795 -1.961 3.121 467 HB3 TYR 71 HB3 TYR 71 -1.586 -3.713 3.146 468 HD1 TYR 71 HD1 TYR 71 -1.234 -0.618 5.086 469 HD2 TYR 71 HD2 TYR 71 -0.886 -4.859 5.135 470 HE1 TYR 71 HE1 TYR 71 -1.098 -0.568 7.543 471 HE2 TYR 71 HE2 TYR 71 -0.748 -4.819 7.588 472 HH TYR 71 HH TYR 71 -0.163 -3.294 9.376 473 H VAL 72 H VAL 72 2.182 -1.804 4.070 474 HA VAL 72 HA VAL 72 3.628 -4.322 4.012 475 HB VAL 72 HB VAL 72 4.441 -1.703 5.280 476 HG11 VAL 72 2HG1 VAL 72 6.719 -2.656 5.116 477 HG12 VAL 72 1HG1 VAL 72 6.008 -4.178 4.576 478 HG13 VAL 72 3HG1 VAL 72 5.656 -3.564 6.194 479 HG21 VAL 72 3HG2 VAL 72 5.811 -1.345 3.276 480 HG22 VAL 72 2HG2 VAL 72 4.088 -1.394 2.893 481 HG23 VAL 72 1HG2 VAL 72 5.110 -2.792 2.546 482 H GLU 73 H GLU 73 3.271 -5.776 5.511 483 HA GLU 73 HA GLU 73 2.052 -5.121 8.022 484 HB2 GLU 73 HB2 GLU 73 3.099 -7.681 6.818 485 HB3 GLU 73 HB3 GLU 73 2.473 -7.605 8.461 486 HG2 GLU 73 HG2 GLU 73 0.829 -6.594 6.180 487 HG3 GLU 73 HG3 GLU 73 0.910 -8.321 6.523 488 H SER 74 H SER 74 5.266 -6.168 6.938 489 HA SER 74 HA SER 74 6.621 -4.891 9.075 490 HB2 SER 74 HB2 SER 74 6.295 -7.896 9.262 491 HB3 SER 74 HB3 SER 74 7.548 -7.002 10.118 492 HG SER 74 HG SER 74 4.966 -6.044 10.421 493 H VAL 75 H VAL 75 8.869 -4.898 8.772 494 HA VAL 75 HA VAL 75 9.841 -6.272 6.375 495 HB VAL 75 HB VAL 75 10.484 -3.933 6.488 496 HG11 VAL 75 2HG1 VAL 75 11.816 -4.575 9.113 497 HG12 VAL 75 1HG1 VAL 75 10.357 -3.607 8.900 498 HG13 VAL 75 3HG1 VAL 75 11.897 -3.035 8.256 499 HG21 VAL 75 3HG2 VAL 75 12.928 -4.142 6.327 500 HG22 VAL 75 2HG2 VAL 75 12.086 -5.437 5.474 501 HG23 VAL 75 1HG2 VAL 75 12.824 -5.750 7.046 502 H ASN 76 H ASN 76 11.211 -7.987 6.496 503 HA ASN 76 HA ASN 76 11.304 -9.280 9.067 504 HB2 ASN 76 HB2 ASN 76 12.376 -10.227 6.404 505 HB3 ASN 76 HB3 ASN 76 12.181 -11.210 7.851 506 HD21 ASN 76 1HD2 ASN 76 10.625 -9.742 5.159 507 HD22 ASN 76 2HD2 ASN 76 9.062 -10.463 5.392 508 H SER 77 H SER 77 13.299 -10.306 9.867 509 HA SER 77 HA SER 77 15.408 -8.370 10.003 510 HB2 SER 77 HB2 SER 77 14.698 -9.831 11.924 511 HB3 SER 77 HB3 SER 77 15.391 -11.209 11.070 512 HG SER 77 HG SER 77 17.374 -10.493 11.456 513 H ASP 78 H ASP 78 14.600 -10.861 7.925 514 HA ASP 78 HA ASP 78 17.153 -11.769 7.104 515 HB2 ASP 78 HB2 ASP 78 14.534 -11.682 5.591 516 HB3 ASP 78 HB3 ASP 78 15.960 -12.583 5.091 517 H GLY 79 H GLY 79 15.417 -8.866 6.565 518 HA2 GLY 79 HA1 GLY 79 16.501 -6.969 5.557 519 HA3 GLY 79 HA2 GLY 79 17.357 -8.079 4.492 520 H SER 80 H SER 80 14.413 -9.340 4.599 521 HA SER 80 HA SER 80 13.541 -7.879 2.216 522 HB2 SER 80 HB2 SER 80 12.152 -9.993 1.856 523 HB3 SER 80 HB3 SER 80 13.900 -10.160 1.684 524 HG SER 80 HG SER 80 13.454 -11.789 3.004 525 H VAL 81 H VAL 81 11.309 -7.407 1.955 526 HA VAL 81 HA VAL 81 9.979 -6.933 4.535 527 HB VAL 81 HB VAL 81 9.530 -5.544 1.891 528 HG11 VAL 81 2HG1 VAL 81 8.534 -4.910 4.666 529 HG12 VAL 81 1HG1 VAL 81 7.564 -5.505 3.318 530 HG13 VAL 81 3HG1 VAL 81 8.297 -3.902 3.239 531 HG21 VAL 81 3HG2 VAL 81 11.103 -4.693 4.316 532 HG22 VAL 81 2HG2 VAL 81 10.696 -3.639 2.961 533 HG23 VAL 81 1HG2 VAL 81 11.739 -5.039 2.708 534 H THR 82 H THR 82 7.990 -7.719 4.945 535 HA THR 82 HA THR 82 6.704 -9.344 2.872 536 HB THR 82 HB THR 82 6.193 -9.250 5.857 537 HG1 THR 82 HG1 THR 82 7.150 -11.406 5.702 538 HG21 THR 82 3HG2 THR 82 5.091 -11.087 3.724 539 HG22 THR 82 1HG2 THR 82 4.182 -9.882 4.633 540 HG23 THR 82 2HG2 THR 82 4.857 -11.287 5.460 541 H ILE 83 H ILE 83 5.289 -8.230 1.702 542 HA ILE 83 HA ILE 83 3.613 -6.215 3.034 543 HB ILE 83 HB ILE 83 3.072 -5.378 0.792 544 HG12 ILE 83 2HG1 ILE 83 5.090 -7.406 -0.196 545 HG13 ILE 83 3HG1 ILE 83 3.348 -7.531 -0.412 546 HG21 ILE 83 2HG2 ILE 83 6.031 -5.605 1.314 547 HG22 ILE 83 1HG2 ILE 83 4.940 -4.393 1.986 548 HG23 ILE 83 3HG2 ILE 83 5.264 -4.424 0.253 549 HD11 ILE 83 3HD1 ILE 83 5.150 -5.415 -1.563 550 HD12 ILE 83 2HD1 ILE 83 3.395 -5.453 -1.729 551 HD13 ILE 83 1HD1 ILE 83 4.375 -6.738 -2.434 552 H SER 84 H SER 84 1.363 -6.190 2.630 553 HA SER 84 HA SER 84 0.281 -8.715 1.583 554 HB2 SER 84 HB2 SER 84 0.052 -8.477 4.073 555 HB3 SER 84 HB3 SER 84 -0.941 -7.047 3.796 556 HG SER 84 HG SER 84 -2.398 -8.648 3.927 557 H GLU 85 H GLU 85 -0.874 -8.439 -0.163 558 HA GLU 85 HA GLU 85 -2.350 -5.934 -0.551 559 HB2 GLU 85 HB2 GLU 85 -1.694 -6.035 -2.994 560 HB3 GLU 85 HB3 GLU 85 -0.407 -5.592 -1.880 561 HG2 GLU 85 HG2 GLU 85 0.537 -7.789 -2.003 562 HG3 GLU 85 HG3 GLU 85 -0.824 -8.368 -2.962 563 H MET 86 H MET 86 -4.415 -6.422 -0.772 564 HA MET 86 HA MET 86 -5.239 -9.047 -1.613 565 HB2 MET 86 HB2 MET 86 -6.407 -7.783 0.203 566 HB3 MET 86 HB3 MET 86 -6.953 -6.635 -1.011 567 HG2 MET 86 HG2 MET 86 -8.231 -8.304 -2.131 568 HG3 MET 86 HG3 MET 86 -7.565 -9.571 -1.103 569 HE1 MET 86 HE1 MET 86 -9.249 -8.956 2.314 570 HE2 MET 86 HE2 MET 86 -8.257 -10.035 1.334 571 HE3 MET 86 HE3 MET 86 -7.641 -8.448 1.799 572 H ASN 87 H ASN 87 -5.305 -9.571 -3.649 573 HA ASN 87 HA ASN 87 -5.994 -9.659 -5.801 574 HB2 ASN 87 HB2 ASN 87 -8.108 -8.700 -5.257 575 HB3 ASN 87 HB3 ASN 87 -7.415 -7.092 -5.099 576 HD21 ASN 87 1HD2 ASN 87 -8.823 -6.222 -6.587 577 HD22 ASN 87 2HD2 ASN 87 -8.721 -6.545 -8.287 578 H TYR 88 H TYR 88 -5.467 -6.159 -5.354 579 HA TYR 88 HA TYR 88 -4.287 -4.677 -6.605 580 HB2 TYR 88 HB2 TYR 88 -2.451 -5.480 -5.298 581 HB3 TYR 88 HB3 TYR 88 -2.268 -6.909 -6.307 582 HD1 TYR 88 HD1 TYR 88 -2.561 -3.272 -7.163 583 HD2 TYR 88 HD2 TYR 88 -0.206 -6.812 -7.327 584 HE1 TYR 88 HE1 TYR 88 -0.906 -2.101 -8.552 585 HE2 TYR 88 HE2 TYR 88 1.455 -5.650 -8.714 586 HH TYR 88 HH TYR 88 1.245 -2.203 -9.331 587 H SER 89 H SER 89 -5.994 -5.300 -8.273 588 HA SER 89 HA SER 89 -6.530 -5.362 -10.478 589 HB2 SER 89 HB2 SER 89 -4.729 -3.653 -10.555 590 HB3 SER 89 HB3 SER 89 -3.559 -4.928 -10.885 591 HG SER 89 HG SER 89 -4.946 -5.416 -12.762 592 H GLY 90 H GLY 90 -5.968 -7.900 -9.202 593 HA2 GLY 90 HA1 GLY 90 -5.237 -9.427 -11.606 594 HA3 GLY 90 HA2 GLY 90 -4.480 -9.814 -10.068 595 H GLY 91 H GLY 91 -5.430 -11.266 -8.805 596 HA2 GLY 91 HA1 GLY 91 -7.998 -12.343 -9.684 597 HA3 GLY 91 HA2 GLY 91 -6.894 -13.084 -8.534 598 HA PRO 92 HA PRO 92 -10.464 -10.158 -6.739 599 HB2 PRO 92 HB2 PRO 92 -11.987 -12.719 -6.656 600 HB3 PRO 92 HB3 PRO 92 -12.565 -11.072 -6.933 601 HG2 PRO 92 HG2 PRO 92 -12.337 -12.778 -8.957 602 HG3 PRO 92 HG3 PRO 92 -11.901 -11.069 -9.154 603 HD2 PRO 92 HD2 PRO 92 -10.130 -13.456 -8.846 604 HD3 PRO 92 HD3 PRO 92 -9.900 -11.998 -9.832 605 H PHE 93 H PHE 93 -9.775 -9.844 -4.764 606 HA PHE 93 HA PHE 93 -9.328 -10.091 -2.574 607 HB2 PHE 93 HB2 PHE 93 -11.074 -12.512 -2.947 608 HB3 PHE 93 HB3 PHE 93 -10.414 -12.039 -1.382 609 HD1 PHE 93 HD1 PHE 93 -12.689 -11.037 -4.106 610 HD2 PHE 93 HD2 PHE 93 -11.334 -10.233 -0.154 611 HE1 PHE 93 HE1 PHE 93 -14.585 -9.505 -3.770 612 HE2 PHE 93 HE2 PHE 93 -13.226 -8.700 0.189 613 HZ PHE 93 HZ PHE 93 -14.855 -8.334 -1.623 614 H SER 94 H SER 94 -7.498 -11.460 -4.609 615 HA SER 94 HA SER 94 -6.294 -13.525 -3.036 616 HB2 SER 94 HB2 SER 94 -4.251 -13.083 -4.501 617 HB3 SER 94 HB3 SER 94 -5.725 -13.579 -5.355 618 HG SER 94 HG SER 94 -4.875 -11.821 -6.437 619 H VAL 95 H VAL 95 -6.323 -12.425 -0.955 620 HA VAL 95 HA VAL 95 -4.646 -10.211 -0.476 621 HB VAL 95 HB VAL 95 -6.222 -10.763 1.223 622 HG11 VAL 95 2HG1 VAL 95 -6.107 -12.829 2.543 623 HG12 VAL 95 1HG1 VAL 95 -4.843 -13.426 1.466 624 HG13 VAL 95 3HG1 VAL 95 -6.466 -13.127 0.844 625 HG21 VAL 95 3HG2 VAL 95 -4.220 -9.740 2.064 626 HG22 VAL 95 2HG2 VAL 95 -3.417 -11.307 2.180 627 HG23 VAL 95 1HG2 VAL 95 -4.780 -10.935 3.235 628 H SER 96 H SER 96 -2.800 -10.493 -1.623 629 HA SER 96 HA SER 96 -1.293 -12.958 -1.331 630 HB2 SER 96 HB2 SER 96 -0.841 -10.605 -3.185 631 HB3 SER 96 HB3 SER 96 -0.039 -12.174 -3.275 632 HG SER 96 HG SER 96 -2.784 -11.590 -3.705 633 H SER 97 H SER 97 1.087 -12.735 -1.273 634 HA SER 97 HA SER 97 1.997 -10.475 0.343 635 HB2 SER 97 HB2 SER 97 2.339 -13.367 1.163 636 HB3 SER 97 HB3 SER 97 3.069 -11.984 1.979 637 HG SER 97 HG SER 97 0.624 -11.311 1.919 638 H ARG 98 H ARG 98 3.497 -9.670 -0.934 639 HA ARG 98 HA ARG 98 5.353 -11.460 -2.320 640 HB2 ARG 98 HB2 ARG 98 4.169 -9.610 -3.554 641 HB3 ARG 98 HB3 ARG 98 5.070 -8.460 -2.578 642 HG2 ARG 98 HG2 ARG 98 7.166 -9.345 -3.492 643 HG3 ARG 98 HG3 ARG 98 6.238 -10.469 -4.489 644 HD2 ARG 98 HD2 ARG 98 6.016 -7.459 -4.607 645 HD3 ARG 98 HD3 ARG 98 6.963 -8.443 -5.723 646 HE ARG 98 HE ARG 98 4.953 -9.306 -6.633 647 HH11 ARG 98 2HH1 ARG 98 4.437 -6.786 -4.263 648 HH12 ARG 98 1HH1 ARG 98 2.765 -6.539 -4.681 649 HH21 ARG 98 2HH2 ARG 98 2.783 -8.938 -7.251 650 HH22 ARG 98 1HH2 ARG 98 1.830 -7.758 -6.388 651 H THR 99 H THR 99 7.613 -11.272 -2.031 652 HA THR 99 HA THR 99 8.341 -10.013 0.527 653 HB THR 99 HB THR 99 9.812 -12.255 -0.870 654 HG1 THR 99 HG1 THR 99 7.434 -12.349 0.305 655 HG21 THR 99 3HG2 THR 99 9.853 -11.271 1.990 656 HG22 THR 99 1HG2 THR 99 11.108 -10.977 0.785 657 HG23 THR 99 2HG2 THR 99 10.791 -12.618 1.346 658 H ILE 100 H ILE 100 9.300 -8.116 0.179 659 HA ILE 100 HA ILE 100 10.767 -7.656 -2.296 660 HB ILE 100 HB ILE 100 9.964 -5.771 -0.076 661 HG12 ILE 100 2HG1 ILE 100 8.715 -4.719 -2.084 662 HG13 ILE 100 3HG1 ILE 100 8.958 -6.284 -2.859 663 HG21 ILE 100 2HG2 ILE 100 11.438 -5.143 -2.623 664 HG22 ILE 100 1HG2 ILE 100 12.097 -5.068 -0.990 665 HG23 ILE 100 3HG2 ILE 100 10.814 -3.959 -1.474 666 HD11 ILE 100 3HD1 ILE 100 6.780 -6.141 -1.826 667 HD12 ILE 100 2HD1 ILE 100 7.525 -5.803 -0.266 668 HD13 ILE 100 1HD1 ILE 100 7.769 -7.370 -1.038 669 H SER 101 H SER 101 12.838 -8.206 -2.326 670 HA SER 101 HA SER 101 14.498 -8.371 -0.027 671 HB2 SER 101 HB2 SER 101 15.258 -8.157 -2.951 672 HB3 SER 101 HB3 SER 101 16.332 -8.658 -1.648 673 HG SER 101 HG SER 101 15.037 -10.474 -1.317 674 H ALA 102 H ALA 102 16.399 -7.028 0.389 675 HA ALA 102 HA ALA 102 15.716 -4.409 0.897 676 HB1 ALA 102 HB1 ALA 102 18.509 -5.495 0.619 677 HB2 ALA 102 HB2 ALA 102 18.025 -4.055 1.514 678 HB3 ALA 102 HB3 ALA 102 17.485 -5.646 2.047 679 H SER 103 H SER 103 17.495 -5.659 -1.899 680 HA SER 103 HA SER 103 18.373 -3.230 -2.962 681 HB2 SER 103 HB2 SER 103 19.003 -5.564 -3.728 682 HB3 SER 103 HB3 SER 103 17.470 -5.609 -4.596 683 HG SER 103 HG SER 103 19.810 -4.299 -5.200 684 H GLU 104 H GLU 104 15.268 -4.892 -3.299 685 HA GLU 104 HA GLU 104 14.242 -2.824 -5.054 686 HB2 GLU 104 HB2 GLU 104 12.881 -5.231 -3.827 687 HB3 GLU 104 HB3 GLU 104 12.116 -4.118 -4.948 688 HG2 GLU 104 HG2 GLU 104 12.727 -5.941 -6.257 689 HG3 GLU 104 HG3 GLU 104 13.971 -4.737 -6.575 690 H ALA 105 H ALA 105 14.311 -3.592 -1.699 691 HA ALA 105 HA ALA 105 12.050 -2.173 -0.819 692 HB1 ALA 105 HB1 ALA 105 14.651 -2.588 0.658 693 HB2 ALA 105 HB2 ALA 105 13.098 -2.151 1.370 694 HB3 ALA 105 HB3 ALA 105 13.306 -3.729 0.612 695 H GLY 106 H GLY 106 15.325 -1.178 -1.607 696 HA2 GLY 106 HA1 GLY 106 14.842 1.582 -0.856 697 HA3 GLY 106 HA2 GLY 106 16.276 0.948 -1.652 698 H ASN 107 H ASN 107 13.153 0.220 -2.947 699 HA ASN 107 HA ASN 107 13.517 2.256 -5.049 700 HB2 ASN 107 HB2 ASN 107 14.006 0.075 -5.984 701 HB3 ASN 107 HB3 ASN 107 12.526 -0.595 -5.308 702 HD21 ASN 107 1HD2 ASN 107 10.616 -0.332 -6.396 703 HD22 ASN 107 2HD2 ASN 107 10.498 0.402 -7.964 704 H TYR 108 H TYR 108 11.501 0.950 -2.651 705 HA TYR 108 HA TYR 108 9.074 1.973 -3.932 706 HB2 TYR 108 HB2 TYR 108 9.430 0.094 -1.594 707 HB3 TYR 108 HB3 TYR 108 7.872 0.664 -2.185 708 HD1 TYR 108 HD1 TYR 108 7.663 0.351 -4.881 709 HD2 TYR 108 HD2 TYR 108 10.036 -2.023 -2.273 710 HE1 TYR 108 HE1 TYR 108 7.586 -1.494 -6.501 711 HE2 TYR 108 HE2 TYR 108 9.966 -3.877 -3.886 712 HH TYR 108 HH TYR 108 8.657 -4.661 -5.734 713 H ASN 109 H ASN 109 7.734 3.436 -2.959 714 HA ASN 109 HA ASN 109 9.084 5.171 -1.041 715 HB2 ASN 109 HB2 ASN 109 6.625 5.611 -2.750 716 HB3 ASN 109 HB3 ASN 109 7.318 6.820 -1.674 717 HD21 ASN 109 1HD2 ASN 109 9.199 7.849 -2.246 718 HD22 ASN 109 2HD2 ASN 109 9.881 7.754 -3.833 719 H TYR 110 H TYR 110 8.690 4.900 1.032 720 HA TYR 110 HA TYR 110 6.146 3.877 2.029 721 HB2 TYR 110 HB2 TYR 110 8.195 3.139 3.112 722 HB3 TYR 110 HB3 TYR 110 8.761 4.785 3.290 723 HD1 TYR 110 HD2 TYR 110 6.497 6.126 4.629 724 HD2 TYR 110 HD1 TYR 110 8.088 2.225 5.203 725 HE1 TYR 110 HE2 TYR 110 5.739 6.172 6.963 726 HE2 TYR 110 HE1 TYR 110 7.354 2.270 7.548 727 HH TYR 110 HH TYR 110 5.161 4.488 8.751 728 H ILE 111 H ILE 111 4.469 5.301 2.372 729 HA ILE 111 HA ILE 111 5.155 8.132 2.394 730 HB ILE 111 HB ILE 111 2.697 8.531 2.186 731 HG12 ILE 111 2HG1 ILE 111 2.544 5.569 1.637 732 HG13 ILE 111 3HG1 ILE 111 2.021 6.294 3.150 733 HG21 ILE 111 2HG2 ILE 111 4.157 8.549 0.251 734 HG22 ILE 111 1HG2 ILE 111 2.597 7.844 -0.173 735 HG23 ILE 111 3HG2 ILE 111 3.996 6.800 0.086 736 HD11 ILE 111 3HD1 ILE 111 0.386 7.651 1.884 737 HD12 ILE 111 2HD1 ILE 111 0.119 5.915 1.708 738 HD13 ILE 111 1HD1 ILE 111 0.889 6.825 0.403 739 H HIS 112 H HIS 112 5.600 8.983 4.218 740 HA HIS 112 HA HIS 112 4.891 7.987 6.768 741 HB2 HIS 112 HB2 HIS 112 5.988 10.610 5.795 742 HB3 HIS 112 HB3 HIS 112 5.556 10.389 7.484 743 HD1 HIS 112 HD1 HIS 112 7.225 9.328 8.951 744 HD2 HIS 112 HD2 HIS 112 8.148 8.810 4.920 745 HE1 HIS 112 HE1 HIS 112 9.581 8.464 8.901 746 HE2 HIS 112 HE2 HIS 112 10.213 8.512 6.468 747 H ILE 113 H ILE 113 3.757 9.432 8.415 748 HA ILE 113 HA ILE 113 1.251 10.430 7.233 749 HB ILE 113 HB ILE 113 1.666 9.429 10.059 750 HG12 ILE 113 2HG1 ILE 113 0.348 8.004 7.730 751 HG13 ILE 113 3HG1 ILE 113 1.961 7.640 8.335 752 HG21 ILE 113 2HG2 ILE 113 -0.816 10.125 8.489 753 HG22 ILE 113 1HG2 ILE 113 -0.167 10.995 9.880 754 HG23 ILE 113 3HG2 ILE 113 -0.817 9.366 10.081 755 HD11 ILE 113 3HD1 ILE 113 0.288 6.061 9.145 756 HD12 ILE 113 2HD1 ILE 113 -0.589 7.385 9.910 757 HD13 ILE 113 1HD1 ILE 113 1.030 6.960 10.467 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 -15.470 -8.966 4.634 2 H2 GLY 1 H2 GLY 1 -14.911 -8.541 6.174 3 H3 GLY 1 H3 GLY 1 -16.525 -8.246 5.744 4 HA2 GLY 1 HA2 GLY 1 -16.877 -10.662 5.521 5 HA3 GLY 1 HA1 GLY 1 -15.241 -10.889 6.126 6 H SER 2 H SER 2 -17.665 -11.857 7.292 7 HA SER 2 HA SER 2 -18.789 -12.015 9.241 8 HB2 SER 2 HB2 SER 2 -16.493 -12.411 10.060 9 HB3 SER 2 HB3 SER 2 -16.321 -10.686 10.380 10 HG SER 2 HG SER 2 -18.554 -11.875 11.510 11 H SER 3 H SER 3 -17.316 -9.228 10.688 12 HA SER 3 HA SER 3 -19.938 -7.940 10.712 13 HB2 SER 3 HB2 SER 3 -17.455 -7.163 12.253 14 HB3 SER 3 HB3 SER 3 -19.121 -6.676 12.582 15 HG SER 3 HG SER 3 -19.412 -9.133 12.722 16 H ILE 4 H ILE 4 -16.905 -7.720 9.188 17 HA ILE 4 HA ILE 4 -16.862 -4.888 8.783 18 HB ILE 4 HB ILE 4 -15.350 -7.036 7.285 19 HG12 ILE 4 2HG1 ILE 4 -14.864 -7.101 9.681 20 HG13 ILE 4 3HG1 ILE 4 -13.480 -6.474 8.791 21 HG21 ILE 4 2HG2 ILE 4 -15.426 -4.946 6.051 22 HG22 ILE 4 1HG2 ILE 4 -13.805 -5.216 6.693 23 HG23 ILE 4 3HG2 ILE 4 -14.885 -4.063 7.477 24 HD11 ILE 4 3HD1 ILE 4 -15.477 -4.851 10.350 25 HD12 ILE 4 2HD1 ILE 4 -14.119 -4.200 9.433 26 HD13 ILE 4 1HD1 ILE 4 -13.823 -5.230 10.832 27 H SER 5 H SER 5 -18.801 -4.328 7.920 28 HA SER 5 HA SER 5 -18.941 -4.609 5.035 29 HB2 SER 5 HB2 SER 5 -21.311 -5.286 6.807 30 HB3 SER 5 HB3 SER 5 -21.341 -5.177 5.046 31 HG SER 5 HG SER 5 -19.350 -6.808 5.772 32 H HIS 6 H HIS 6 -20.603 -3.315 7.906 33 HA HIS 6 HA HIS 6 -21.201 -0.805 6.657 34 HB2 HIS 6 HB2 HIS 6 -21.912 -0.070 8.883 35 HB3 HIS 6 HB3 HIS 6 -22.573 -1.657 8.520 36 HD1 HIS 6 HD1 HIS 6 -20.766 0.172 11.074 37 HD2 HIS 6 HD2 HIS 6 -21.092 -3.810 9.898 38 HE1 HIS 6 HE1 HIS 6 -19.940 -1.188 13.026 39 HE2 HIS 6 HE2 HIS 6 -20.352 -3.589 12.369 40 H SER 7 H SER 7 -18.371 -2.012 7.138 41 HA SER 7 HA SER 7 -17.088 0.342 8.326 42 HB2 SER 7 HB2 SER 7 -15.781 -2.300 7.653 43 HB3 SER 7 HB3 SER 7 -15.228 -1.071 8.793 44 HG SER 7 HG SER 7 -16.618 -1.761 10.265 45 H GLY 8 H GLY 8 -18.226 0.296 5.662 46 HA2 GLY 8 HA1 GLY 8 -16.342 -0.299 3.659 47 HA3 GLY 8 HA2 GLY 8 -17.757 0.721 3.470 48 H ASN 9 H ASN 9 -14.772 0.792 2.741 49 HA ASN 9 HA ASN 9 -13.892 3.284 3.944 50 HB2 ASN 9 HB2 ASN 9 -12.663 1.594 1.750 51 HB3 ASN 9 HB3 ASN 9 -11.911 3.008 2.471 52 HD21 ASN 9 1HD2 ASN 9 -11.020 0.230 2.340 53 HD22 ASN 9 2HD2 ASN 9 -10.773 -0.261 3.984 54 H LEU 10 H LEU 10 -12.728 4.692 2.008 55 HA LEU 10 HA LEU 10 -14.871 5.763 0.420 56 HB2 LEU 10 HB2 LEU 10 -11.910 6.346 0.409 57 HB3 LEU 10 HB3 LEU 10 -13.119 7.289 -0.442 58 HG LEU 10 HG LEU 10 -12.691 7.083 2.533 59 HD11 LEU 10 2HD1 LEU 10 -11.306 8.680 1.333 60 HD12 LEU 10 1HD1 LEU 10 -12.473 9.500 2.370 61 HD13 LEU 10 3HD1 LEU 10 -12.747 9.415 0.629 62 HD21 LEU 10 3HD2 LEU 10 -15.089 6.915 2.132 63 HD22 LEU 10 2HD2 LEU 10 -15.026 8.332 1.084 64 HD23 LEU 10 1HD2 LEU 10 -14.680 8.493 2.806 65 H TYR 11 H TYR 11 -13.629 2.974 0.026 66 HA TYR 11 HA TYR 11 -12.961 3.221 -2.819 67 HB2 TYR 11 HB2 TYR 11 -11.448 2.068 -0.632 68 HB3 TYR 11 HB3 TYR 11 -11.739 0.884 -1.898 69 HD1 TYR 11 HD1 TYR 11 -11.088 1.495 -4.271 70 HD2 TYR 11 HD2 TYR 11 -9.804 3.695 -0.867 71 HE1 TYR 11 HE1 TYR 11 -9.247 2.434 -5.593 72 HE2 TYR 11 HE2 TYR 11 -7.958 4.655 -2.171 73 HH TYR 11 HH TYR 11 -7.775 4.685 -5.389 74 H THR 12 H THR 12 -12.798 0.612 -3.457 75 HA THR 12 HA THR 12 -15.591 -0.143 -3.549 76 HB THR 12 HB THR 12 -13.474 -1.795 -4.842 77 HG1 THR 12 HG1 THR 12 -14.108 0.877 -5.658 78 HG21 THR 12 3HG2 THR 12 -15.031 -1.728 -6.717 79 HG22 THR 12 1HG2 THR 12 -16.035 -0.555 -5.864 80 HG23 THR 12 2HG2 THR 12 -15.871 -2.196 -5.241 81 H ALA 13 H ALA 13 -14.959 -3.000 -3.929 82 HA ALA 13 HA ALA 13 -14.250 -3.728 -1.200 83 HB1 ALA 13 HB1 ALA 13 -16.196 -5.147 -3.006 84 HB2 ALA 13 HB2 ALA 13 -15.745 -5.647 -1.376 85 HB3 ALA 13 HB3 ALA 13 -16.623 -4.136 -1.625 86 H GLY 14 H GLY 14 -12.138 -4.240 -1.470 87 HA2 GLY 14 HA1 GLY 14 -10.545 -5.937 -1.881 88 HA3 GLY 14 HA2 GLY 14 -11.588 -6.570 -3.148 89 H GLN 15 H GLN 15 -10.089 -3.417 -2.494 90 HA GLN 15 HA GLN 15 -8.916 -3.522 -5.196 91 HB2 GLN 15 HB2 GLN 15 -9.505 -1.158 -3.401 92 HB3 GLN 15 HB3 GLN 15 -8.607 -1.043 -4.906 93 HG2 GLN 15 HG2 GLN 15 -11.413 -2.113 -4.755 94 HG3 GLN 15 HG3 GLN 15 -11.034 -0.410 -5.014 95 HE21 GLN 15 1HE2 GLN 15 -10.745 -3.626 -6.332 96 HE22 GLN 15 2HE2 GLN 15 -10.491 -3.135 -7.970 97 H CYS 16 H CYS 16 -6.705 -2.760 -5.431 98 HA CYS 16 HA CYS 16 -4.910 -3.821 -3.555 99 HB2 CYS 16 HB2 CYS 16 -3.213 -2.392 -4.863 100 HB3 CYS 16 HB3 CYS 16 -4.106 -3.621 -5.752 101 HG CYS 16 HG CYS 16 -4.932 -2.024 -7.569 102 H THR 17 H THR 17 -5.944 -0.509 -4.182 103 HA THR 17 HA THR 17 -4.366 0.573 -2.026 104 HB THR 17 HB THR 17 -5.846 2.654 -2.676 105 HG1 THR 17 HG1 THR 17 -6.762 2.435 -4.724 106 HG21 THR 17 3HG2 THR 17 -3.878 1.437 -4.618 107 HG22 THR 17 1HG2 THR 17 -3.466 2.424 -3.216 108 HG23 THR 17 2HG2 THR 17 -4.360 3.132 -4.559 109 H TRP 18 H TRP 18 -7.497 -0.768 -2.414 110 HA TRP 18 HA TRP 18 -8.835 0.483 -0.237 111 HB2 TRP 18 HB2 TRP 18 -10.103 -0.627 -1.960 112 HB3 TRP 18 HB3 TRP 18 -9.292 -2.150 -1.628 113 HD1 TRP 18 HD1 TRP 18 -11.899 0.232 -0.090 114 HE1 TRP 18 HE1 TRP 18 -13.339 -1.129 1.553 115 HE3 TRP 18 HE3 TRP 18 -9.349 -4.212 -0.201 116 HZ2 TRP 18 HZ2 TRP 18 -13.398 -3.713 2.660 117 HZ3 TRP 18 HZ3 TRP 18 -10.171 -6.071 1.183 118 HH2 TRP 18 HH2 TRP 18 -12.152 -5.827 2.584 119 H TYR 19 H TYR 19 -7.176 -2.678 -0.567 120 HA TYR 19 HA TYR 19 -7.545 -3.534 2.078 121 HB2 TYR 19 HB2 TYR 19 -6.736 -5.081 0.419 122 HB3 TYR 19 HB3 TYR 19 -5.301 -4.109 0.129 123 HD1 TYR 19 HD1 TYR 19 -6.927 -6.464 2.474 124 HD2 TYR 19 HD2 TYR 19 -3.401 -4.234 1.597 125 HE1 TYR 19 HE1 TYR 19 -5.688 -7.751 4.166 126 HE2 TYR 19 HE2 TYR 19 -2.162 -5.521 3.280 127 HH TYR 19 HH TYR 19 -3.215 -8.373 4.589 128 H VAL 20 H VAL 20 -4.996 -1.607 0.616 129 HA VAL 20 HA VAL 20 -3.346 -1.211 2.811 130 HB VAL 20 HB VAL 20 -4.048 0.664 0.547 131 HG11 VAL 20 2HG1 VAL 20 -3.175 1.967 2.388 132 HG12 VAL 20 1HG1 VAL 20 -1.962 1.846 1.114 133 HG13 VAL 20 3HG1 VAL 20 -1.818 0.855 2.565 134 HG21 VAL 20 3HG2 VAL 20 -3.021 -1.422 -0.172 135 HG22 VAL 20 2HG2 VAL 20 -1.706 -1.193 0.981 136 HG23 VAL 20 1HG2 VAL 20 -1.891 -0.082 -0.376 137 H TYR 21 H TYR 21 -6.048 0.808 1.693 138 HA TYR 21 HA TYR 21 -5.894 2.712 3.736 139 HB2 TYR 21 HB2 TYR 21 -7.114 2.885 1.512 140 HB3 TYR 21 HB3 TYR 21 -8.411 1.960 2.253 141 HD1 TYR 21 HD1 TYR 21 -6.344 4.974 2.958 142 HD2 TYR 21 HD2 TYR 21 -10.166 3.130 3.166 143 HE1 TYR 21 HE1 TYR 21 -7.286 7.060 3.839 144 HE2 TYR 21 HE2 TYR 21 -11.129 5.207 4.044 145 HH TYR 21 HH TYR 21 -10.292 7.266 5.287 146 H ASP 22 H ASP 22 -7.641 -0.336 3.537 147 HA ASP 22 HA ASP 22 -9.249 0.092 5.846 148 HB2 ASP 22 HB2 ASP 22 -9.778 -1.562 4.051 149 HB3 ASP 22 HB3 ASP 22 -8.438 -2.552 4.619 150 H LYS 23 H LYS 23 -6.144 -1.491 5.285 151 HA LYS 23 HA LYS 23 -5.954 -2.551 7.934 152 HB2 LYS 23 HB2 LYS 23 -3.935 -2.268 5.715 153 HB3 LYS 23 HB3 LYS 23 -3.561 -3.018 7.260 154 HG2 LYS 23 HG2 LYS 23 -5.658 -3.942 5.306 155 HG3 LYS 23 HG3 LYS 23 -4.079 -4.684 5.571 156 HD2 LYS 23 HD2 LYS 23 -6.217 -4.398 7.679 157 HD3 LYS 23 HD3 LYS 23 -5.936 -5.858 6.729 158 HE2 LYS 23 HE2 LYS 23 -3.696 -6.049 7.643 159 HE3 LYS 23 HE3 LYS 23 -3.908 -4.540 8.531 160 HZ1 LYS 23 HZ1 LYS 23 -5.582 -6.961 8.937 161 HZ2 LYS 23 HZ2 LYS 23 -5.597 -5.542 9.867 162 HZ3 LYS 23 HZ3 LYS 23 -4.237 -6.559 9.895 163 H VAL 24 H VAL 24 -5.040 0.474 6.469 164 HA VAL 24 HA VAL 24 -3.331 1.170 8.721 165 HB VAL 24 HB VAL 24 -3.024 3.334 7.617 166 HG11 VAL 24 2HG1 VAL 24 -2.707 0.993 5.746 167 HG12 VAL 24 1HG1 VAL 24 -1.569 1.486 7.000 168 HG13 VAL 24 3HG1 VAL 24 -1.866 2.536 5.613 169 HG21 VAL 24 3HG2 VAL 24 -4.935 2.270 5.541 170 HG22 VAL 24 2HG2 VAL 24 -3.983 3.747 5.392 171 HG23 VAL 24 1HG2 VAL 24 -5.227 3.621 6.637 172 H GLY 25 H GLY 25 -6.462 0.800 8.576 173 HA2 GLY 25 HA1 GLY 25 -7.973 1.405 10.242 174 HA3 GLY 25 HA2 GLY 25 -6.887 2.698 10.724 175 H GLY 26 H GLY 26 -7.048 3.144 7.548 176 HA2 GLY 26 HA1 GLY 26 -8.311 4.475 6.145 177 HA3 GLY 26 HA2 GLY 26 -9.627 4.390 7.308 178 H GLU 27 H GLU 27 -6.587 5.352 8.542 179 HA GLU 27 HA GLU 27 -7.620 8.044 8.980 180 HB2 GLU 27 HB2 GLU 27 -6.650 6.635 10.835 181 HB3 GLU 27 HB3 GLU 27 -5.083 6.803 10.060 182 HG2 GLU 27 HG2 GLU 27 -5.300 8.370 11.888 183 HG3 GLU 27 HG3 GLU 27 -5.198 9.229 10.351 184 H ILE 28 H ILE 28 -5.405 6.385 6.979 185 HA ILE 28 HA ILE 28 -4.274 8.944 6.091 186 HB ILE 28 HB ILE 28 -2.265 8.223 6.742 187 HG12 ILE 28 2HG1 ILE 28 -2.488 7.520 4.167 188 HG13 ILE 28 3HG1 ILE 28 -0.999 7.264 5.082 189 HG21 ILE 28 2HG2 ILE 28 -1.751 5.971 7.513 190 HG22 ILE 28 1HG2 ILE 28 -3.306 5.404 6.904 191 HG23 ILE 28 3HG2 ILE 28 -3.250 6.576 8.221 192 HD11 ILE 28 3HD1 ILE 28 -3.141 5.206 4.543 193 HD12 ILE 28 2HD1 ILE 28 -1.661 4.932 5.466 194 HD13 ILE 28 1HD1 ILE 28 -1.568 5.315 3.745 195 H GLY 29 H GLY 29 -4.707 9.419 4.052 196 HA2 GLY 29 HA1 GLY 29 -4.282 9.012 1.775 197 HA3 GLY 29 HA2 GLY 29 -4.373 7.292 2.092 198 H SER 30 H SER 30 -6.722 9.889 2.772 199 HA SER 30 HA SER 30 -8.789 8.265 1.555 200 HB2 SER 30 HB2 SER 30 -10.271 10.195 2.212 201 HB3 SER 30 HB3 SER 30 -9.408 9.450 3.555 202 HG SER 30 HG SER 30 -8.367 11.256 3.876 203 H THR 31 H THR 31 -6.602 10.669 0.607 204 HA THR 31 HA THR 31 -8.104 11.139 -1.873 205 HB THR 31 HB THR 31 -6.497 13.332 -0.576 206 HG1 THR 31 HG1 THR 31 -8.319 12.386 0.779 207 HG21 THR 31 3HG2 THR 31 -7.191 13.594 -2.926 208 HG22 THR 31 1HG2 THR 31 -7.979 14.772 -1.877 209 HG23 THR 31 2HG2 THR 31 -8.870 13.361 -2.445 210 H TRP 32 H TRP 32 -5.928 9.265 -1.406 211 HA TRP 32 HA TRP 32 -3.599 10.525 -2.590 212 HB2 TRP 32 HB2 TRP 32 -2.517 8.335 -2.415 213 HB3 TRP 32 HB3 TRP 32 -3.208 8.843 -0.881 214 HD1 TRP 32 HD1 TRP 32 -5.282 7.202 -3.647 215 HE1 TRP 32 HE1 TRP 32 -6.160 4.968 -2.795 216 HE3 TRP 32 HE3 TRP 32 -2.740 7.012 0.753 217 HZ2 TRP 32 HZ2 TRP 32 -5.829 3.302 -0.510 218 HZ3 TRP 32 HZ3 TRP 32 -3.074 5.064 2.231 219 HH2 TRP 32 HH2 TRP 32 -4.584 3.250 1.609 220 H GLY 33 H GLY 33 -6.440 9.299 -3.765 221 HA2 GLY 33 HA1 GLY 33 -7.047 9.139 -6.017 222 HA3 GLY 33 HA2 GLY 33 -5.339 9.208 -6.430 223 H ASN 34 H ASN 34 -4.411 7.481 -7.107 224 HA ASN 34 HA ASN 34 -5.189 4.898 -5.994 225 HB2 ASN 34 HB2 ASN 34 -5.342 5.673 -8.836 226 HB3 ASN 34 HB3 ASN 34 -4.477 4.170 -8.529 227 HD21 ASN 34 1HD2 ASN 34 -7.535 5.788 -8.434 228 HD22 ASN 34 2HD2 ASN 34 -8.498 4.383 -8.128 229 H ALA 35 H ALA 35 -3.398 3.274 -7.046 230 HA ALA 35 HA ALA 35 -1.168 3.802 -5.513 231 HB1 ALA 35 HB1 ALA 35 -1.273 1.947 -7.875 232 HB2 ALA 35 HB2 ALA 35 -0.178 1.854 -6.495 233 HB3 ALA 35 HB3 ALA 35 -1.907 1.579 -6.272 234 H ASN 36 H ASN 36 -1.624 4.531 -8.944 235 HA ASN 36 HA ASN 36 1.073 4.962 -9.603 236 HB2 ASN 36 HB2 ASN 36 -0.764 4.668 -11.250 237 HB3 ASN 36 HB3 ASN 36 -1.365 6.270 -10.824 238 HD21 ASN 36 1HD2 ASN 36 1.082 4.474 -12.481 239 HD22 ASN 36 2HD2 ASN 36 1.795 5.810 -13.316 240 H ASN 37 H ASN 37 -1.346 7.077 -8.197 241 HA ASN 37 HA ASN 37 0.416 9.402 -8.516 242 HB2 ASN 37 HB2 ASN 37 -1.973 9.493 -9.298 243 HB3 ASN 37 HB3 ASN 37 -2.479 9.307 -7.626 244 HD21 ASN 37 1HD2 ASN 37 -3.550 11.243 -7.599 245 HD22 ASN 37 2HD2 ASN 37 -2.732 12.770 -7.585 246 H TRP 38 H TRP 38 0.393 7.091 -6.441 247 HA TRP 38 HA TRP 38 -0.542 7.944 -3.986 248 HB2 TRP 38 HB2 TRP 38 1.081 5.794 -4.964 249 HB3 TRP 38 HB3 TRP 38 1.749 6.421 -3.449 250 HD1 TRP 38 HD1 TRP 38 -1.930 5.779 -4.548 251 HE1 TRP 38 HE1 TRP 38 -3.039 4.441 -2.687 252 HE3 TRP 38 HE3 TRP 38 2.099 5.272 -1.477 253 HZ2 TRP 38 HZ2 TRP 38 -2.274 3.296 -0.153 254 HZ3 TRP 38 HZ3 TRP 38 1.843 4.044 0.633 255 HH2 TRP 38 HH2 TRP 38 -0.293 3.078 1.271 256 H ALA 39 H ALA 39 2.889 8.047 -5.015 257 HA ALA 39 HA ALA 39 3.777 9.211 -2.621 258 HB1 ALA 39 HB1 ALA 39 5.862 9.649 -3.778 259 HB2 ALA 39 HB2 ALA 39 5.253 8.050 -4.207 260 HB3 ALA 39 HB3 ALA 39 5.077 9.393 -5.337 261 H ALA 40 H ALA 40 2.536 10.642 -5.552 262 HA ALA 40 HA ALA 40 3.253 13.334 -4.866 263 HB1 ALA 40 HB1 ALA 40 1.902 13.957 -6.793 264 HB2 ALA 40 HB2 ALA 40 2.985 12.623 -7.192 265 HB3 ALA 40 HB3 ALA 40 1.276 12.312 -6.900 266 H ALA 41 H ALA 41 0.192 11.505 -4.915 267 HA ALA 41 HA ALA 41 -1.405 13.619 -3.944 268 HB1 ALA 41 HB1 ALA 41 -2.286 11.663 -5.160 269 HB2 ALA 41 HB2 ALA 41 -1.943 10.654 -3.753 270 HB3 ALA 41 HB3 ALA 41 -3.131 11.954 -3.641 271 H ALA 42 H ALA 42 0.408 11.084 -2.356 272 HA ALA 42 HA ALA 42 -0.586 11.350 0.256 273 HB1 ALA 42 HB1 ALA 42 0.820 9.502 -0.360 274 HB2 ALA 42 HB2 ALA 42 2.161 10.590 -0.736 275 HB3 ALA 42 HB3 ALA 42 1.611 10.410 0.930 276 H GLN 43 H GLN 43 2.021 13.067 -1.443 277 HA GLN 43 HA GLN 43 2.798 14.649 0.783 278 HB2 GLN 43 HB2 GLN 43 3.159 15.185 -2.171 279 HB3 GLN 43 HB3 GLN 43 3.985 16.037 -0.870 280 HG2 GLN 43 HG2 GLN 43 4.995 13.888 -0.172 281 HG3 GLN 43 HG3 GLN 43 4.247 13.121 -1.574 282 HE21 GLN 43 1HE2 GLN 43 6.154 12.554 -2.525 283 HE22 GLN 43 2HE2 GLN 43 7.261 13.695 -3.210 284 H GLY 44 H GLY 44 0.486 15.062 -1.830 285 HA2 GLY 44 HA1 GLY 44 -0.260 17.727 -1.208 286 HA3 GLY 44 HA2 GLY 44 -1.225 16.572 -2.117 287 H ALA 45 H ALA 45 -1.076 14.664 0.186 288 HA ALA 45 HA ALA 45 -3.298 15.749 1.715 289 HB1 ALA 45 HB1 ALA 45 -3.431 13.451 0.871 290 HB2 ALA 45 HB2 ALA 45 -2.008 13.022 1.821 291 HB3 ALA 45 HB3 ALA 45 -3.499 13.497 2.633 292 H GLY 46 H GLY 46 0.084 15.370 1.994 293 HA2 GLY 46 HA1 GLY 46 1.329 16.574 3.605 294 HA3 GLY 46 HA2 GLY 46 -0.054 16.510 4.684 295 H PHE 47 H PHE 47 1.379 13.750 2.978 296 HA PHE 47 HA PHE 47 1.955 12.547 5.589 297 HB2 PHE 47 HB2 PHE 47 2.173 11.279 2.854 298 HB3 PHE 47 HB3 PHE 47 2.307 10.452 4.396 299 HD1 PHE 47 HD2 PHE 47 -0.150 12.346 5.407 300 HD2 PHE 47 HD1 PHE 47 0.523 9.544 2.279 301 HE1 PHE 47 HE2 PHE 47 -2.565 11.875 5.303 302 HE2 PHE 47 HE1 PHE 47 -1.881 9.055 2.171 303 HZ PHE 47 HZ PHE 47 -3.425 10.237 3.683 304 H THR 48 H THR 48 3.985 11.726 6.106 305 HA THR 48 HA THR 48 6.227 13.058 4.829 306 HB THR 48 HB THR 48 6.323 11.077 7.115 307 HG1 THR 48 HG1 THR 48 4.968 13.159 7.321 308 HG21 THR 48 3HG2 THR 48 8.475 11.532 6.073 309 HG22 THR 48 1HG2 THR 48 8.408 12.269 7.673 310 HG23 THR 48 2HG2 THR 48 8.209 13.268 6.234 311 H VAL 49 H VAL 49 6.475 12.058 2.827 312 HA VAL 49 HA VAL 49 6.622 9.147 2.811 313 HB VAL 49 HB VAL 49 5.943 9.154 0.684 314 HG11 VAL 49 2HG1 VAL 49 4.688 11.118 -0.062 315 HG12 VAL 49 1HG1 VAL 49 5.432 12.065 1.227 316 HG13 VAL 49 3HG1 VAL 49 4.372 10.712 1.624 317 HG21 VAL 49 3HG2 VAL 49 8.037 9.757 -0.286 318 HG22 VAL 49 2HG2 VAL 49 7.796 11.460 0.123 319 HG23 VAL 49 1HG2 VAL 49 6.775 10.691 -1.091 320 H ASN 50 H ASN 50 8.416 8.037 2.561 321 HA ASN 50 HA ASN 50 10.760 9.221 1.387 322 HB2 ASN 50 HB2 ASN 50 12.255 8.560 3.220 323 HB3 ASN 50 HB3 ASN 50 11.069 9.722 3.795 324 HD21 ASN 50 1HD2 ASN 50 9.411 8.995 5.178 325 HD22 ASN 50 2HD2 ASN 50 9.585 7.526 6.078 326 H HIS 51 H HIS 51 12.189 6.733 2.552 327 HA HIS 51 HA HIS 51 10.672 4.658 1.288 328 HB2 HIS 51 HB2 HIS 51 12.561 4.076 -0.329 329 HB3 HIS 51 HB3 HIS 51 11.578 5.471 -0.736 330 HD1 HIS 51 HD1 HIS 51 14.934 4.474 -0.859 331 HD2 HIS 51 HD2 HIS 51 13.038 7.961 0.383 332 HE1 HIS 51 HE1 HIS 51 16.690 6.273 -0.942 333 HE2 HIS 51 HE2 HIS 51 15.465 8.400 -0.386 334 H THR 52 H THR 52 10.849 3.989 3.454 335 HA THR 52 HA THR 52 12.920 1.976 3.671 336 HB THR 52 HB THR 52 12.357 3.817 6.012 337 HG1 THR 52 HG1 THR 52 14.149 4.004 3.921 338 HG21 THR 52 3HG2 THR 52 14.413 1.633 5.616 339 HG22 THR 52 1HG2 THR 52 12.986 1.538 6.646 340 HG23 THR 52 2HG2 THR 52 14.278 2.672 7.035 341 HA PRO 53 HA PRO 53 8.689 0.329 4.344 342 HB2 PRO 53 HB2 PRO 53 9.544 -2.296 4.137 343 HB3 PRO 53 HB3 PRO 53 9.014 -1.292 2.786 344 HG2 PRO 53 HG2 PRO 53 11.792 -1.864 3.744 345 HG3 PRO 53 HG3 PRO 53 11.171 -1.797 2.082 346 HD2 PRO 53 HD2 PRO 53 12.554 0.239 3.087 347 HD3 PRO 53 HD3 PRO 53 11.128 0.528 2.063 348 H SER 54 H SER 54 7.680 -0.916 5.952 349 HA SER 54 HA SER 54 8.836 -2.242 8.090 350 HB2 SER 54 HB2 SER 54 9.913 -0.058 8.607 351 HB3 SER 54 HB3 SER 54 8.320 0.691 8.697 352 HG SER 54 HG SER 54 8.164 0.006 10.661 353 H LYS 55 H LYS 55 7.191 -2.477 9.911 354 HA LYS 55 HA LYS 55 4.637 -2.945 8.848 355 HB2 LYS 55 HB2 LYS 55 5.539 -4.091 10.856 356 HB3 LYS 55 HB3 LYS 55 5.374 -2.593 11.762 357 HG2 LYS 55 HG2 LYS 55 2.947 -2.639 11.355 358 HG3 LYS 55 HG3 LYS 55 3.138 -4.178 10.518 359 HD2 LYS 55 HD2 LYS 55 4.080 -5.142 12.594 360 HD3 LYS 55 HD3 LYS 55 3.757 -3.612 13.413 361 HE2 LYS 55 HE2 LYS 55 1.711 -5.420 12.132 362 HE3 LYS 55 HE3 LYS 55 1.981 -5.213 13.863 363 HZ1 LYS 55 HZ1 LYS 55 1.067 -3.094 11.986 364 HZ2 LYS 55 HZ2 LYS 55 1.325 -2.893 13.649 365 HZ3 LYS 55 HZ3 LYS 55 0.091 -3.918 13.101 366 H GLY 56 H GLY 56 2.837 -1.736 8.690 367 HA2 GLY 56 HA1 GLY 56 1.363 0.021 9.206 368 HA3 GLY 56 HA2 GLY 56 2.633 0.780 10.158 369 H ALA 57 H ALA 57 3.781 -0.273 7.204 370 HA ALA 57 HA ALA 57 3.426 2.396 6.007 371 HB1 ALA 57 HB1 ALA 57 5.565 1.963 4.833 372 HB2 ALA 57 HB2 ALA 57 5.741 2.010 6.589 373 HB3 ALA 57 HB3 ALA 57 5.725 0.461 5.745 374 H ILE 58 H ILE 58 3.918 2.139 3.480 375 HA ILE 58 HA ILE 58 2.679 -0.307 2.463 376 HB ILE 58 HB ILE 58 1.813 2.413 1.483 377 HG12 ILE 58 2HG1 ILE 58 -0.449 1.510 2.528 378 HG13 ILE 58 3HG1 ILE 58 0.646 0.648 3.595 379 HG21 ILE 58 2HG2 ILE 58 1.707 0.642 -0.168 380 HG22 ILE 58 1HG2 ILE 58 0.082 1.130 0.313 381 HG23 ILE 58 3HG2 ILE 58 0.778 -0.364 0.943 382 HD11 ILE 58 3HD1 ILE 58 1.665 2.781 4.249 383 HD12 ILE 58 2HD1 ILE 58 -0.062 2.725 4.600 384 HD13 ILE 58 1HD1 ILE 58 0.523 3.627 3.203 385 H LEU 59 H LEU 59 3.682 -1.057 0.715 386 HA LEU 59 HA LEU 59 6.052 0.373 -0.160 387 HB2 LEU 59 HB2 LEU 59 5.916 -2.083 0.545 388 HB3 LEU 59 HB3 LEU 59 5.120 -2.376 -0.987 389 HG LEU 59 HG LEU 59 7.576 -2.912 -0.923 390 HD11 LEU 59 2HD1 LEU 59 6.411 -2.588 -3.024 391 HD12 LEU 59 1HD1 LEU 59 8.049 -1.941 -3.107 392 HD13 LEU 59 3HD1 LEU 59 6.677 -0.847 -2.917 393 HD21 LEU 59 3HD2 LEU 59 8.267 -1.038 0.477 394 HD22 LEU 59 2HD2 LEU 59 7.845 0.084 -0.816 395 HD23 LEU 59 1HD2 LEU 59 9.157 -1.074 -1.046 396 H GLN 60 H GLN 60 6.203 1.468 -2.022 397 HA GLN 60 HA GLN 60 3.998 1.216 -3.968 398 HB2 GLN 60 HB2 GLN 60 3.815 3.375 -3.150 399 HB3 GLN 60 HB3 GLN 60 5.548 3.556 -2.939 400 HG2 GLN 60 HG2 GLN 60 4.938 5.001 -4.698 401 HG3 GLN 60 HG3 GLN 60 5.756 3.624 -5.446 402 HE21 GLN 60 1HE2 GLN 60 3.831 5.565 -6.571 403 HE22 GLN 60 2HE2 GLN 60 2.522 4.623 -7.183 404 H SER 61 H SER 61 4.404 0.720 -5.981 405 HA SER 61 HA SER 61 7.007 1.416 -7.148 406 HB2 SER 61 HB2 SER 61 6.910 -1.058 -6.791 407 HB3 SER 61 HB3 SER 61 5.458 -1.114 -7.786 408 HG SER 61 HG SER 61 7.167 -1.580 -9.121 409 H SER 62 H SER 62 6.842 2.226 -9.286 410 HA SER 62 HA SER 62 4.282 3.422 -9.830 411 HB2 SER 62 HB2 SER 62 6.808 3.576 -11.487 412 HB3 SER 62 HB3 SER 62 5.449 4.702 -11.499 413 HG SER 62 HG SER 62 6.289 5.673 -9.844 414 H GLU 63 H GLU 63 5.308 0.412 -10.479 415 HA GLU 63 HA GLU 63 4.156 0.353 -13.183 416 HB2 GLU 63 HB2 GLU 63 5.985 -1.634 -11.831 417 HB3 GLU 63 HB3 GLU 63 5.297 -1.830 -13.437 418 HG2 GLU 63 HG2 GLU 63 6.456 0.221 -14.150 419 HG3 GLU 63 HG3 GLU 63 7.201 0.323 -12.556 420 H GLY 64 H GLY 64 2.471 -0.941 -13.670 421 HA2 GLY 64 HA1 GLY 64 1.447 -3.166 -12.614 422 HA3 GLY 64 HA2 GLY 64 0.927 -1.971 -11.431 423 HA PRO 65 HA PRO 65 -2.381 -1.688 -14.562 424 HB2 PRO 65 HB2 PRO 65 -4.214 -1.178 -12.427 425 HB3 PRO 65 HB3 PRO 65 -4.099 -2.631 -13.418 426 HG2 PRO 65 HG2 PRO 65 -3.511 -2.467 -10.706 427 HG3 PRO 65 HG3 PRO 65 -3.005 -3.771 -11.794 428 HD2 PRO 65 HD2 PRO 65 -1.460 -1.448 -10.756 429 HD3 PRO 65 HD3 PRO 65 -0.903 -3.084 -11.174 430 H PHE 66 H PHE 66 -2.423 0.107 -11.524 431 HA PHE 66 HA PHE 66 -2.226 2.637 -13.017 432 HB2 PHE 66 HB2 PHE 66 -3.004 2.294 -10.107 433 HB3 PHE 66 HB3 PHE 66 -3.145 3.749 -11.084 434 HD1 PHE 66 HD2 PHE 66 -4.595 0.468 -10.338 435 HD2 PHE 66 HD1 PHE 66 -4.985 4.050 -12.608 436 HE1 PHE 66 HE2 PHE 66 -6.919 -0.130 -10.877 437 HE2 PHE 66 HE1 PHE 66 -7.311 3.457 -13.147 438 HZ PHE 66 HZ PHE 66 -8.281 1.368 -12.281 439 H GLY 67 H GLY 67 -1.351 1.200 -9.927 440 HA2 GLY 67 HA1 GLY 67 1.470 1.681 -10.423 441 HA3 GLY 67 HA2 GLY 67 0.771 2.460 -9.002 442 H HIS 68 H HIS 68 1.964 1.204 -7.523 443 HA HIS 68 HA HIS 68 0.863 -1.468 -7.119 444 HB2 HIS 68 HB2 HIS 68 2.984 -1.611 -8.558 445 HB3 HIS 68 HB3 HIS 68 3.850 -1.039 -7.128 446 HD1 HIS 68 HD1 HIS 68 2.916 -4.052 -8.786 447 HD2 HIS 68 HD2 HIS 68 3.273 -2.899 -4.814 448 HE1 HIS 68 HE1 HIS 68 3.148 -6.185 -7.482 449 HE2 HIS 68 HE2 HIS 68 2.945 -5.451 -5.081 450 H VAL 69 H VAL 69 -0.071 -0.510 -5.167 451 HA VAL 69 HA VAL 69 2.027 -0.062 -3.168 452 HB VAL 69 HB VAL 69 0.365 1.195 -1.848 453 HG11 VAL 69 2HG1 VAL 69 0.415 3.193 -3.257 454 HG12 VAL 69 1HG1 VAL 69 0.816 2.197 -4.656 455 HG13 VAL 69 3HG1 VAL 69 1.951 2.327 -3.310 456 HG21 VAL 69 3HG2 VAL 69 -1.680 0.204 -2.754 457 HG22 VAL 69 2HG2 VAL 69 -1.352 0.950 -4.317 458 HG23 VAL 69 1HG2 VAL 69 -1.698 1.960 -2.915 459 H ALA 70 H ALA 70 2.377 -1.759 -2.049 460 HA ALA 70 HA ALA 70 0.115 -3.448 -1.221 461 HB1 ALA 70 HB1 ALA 70 1.776 -5.204 -0.832 462 HB2 ALA 70 HB2 ALA 70 1.806 -4.641 -2.504 463 HB3 ALA 70 HB3 ALA 70 3.052 -4.114 -1.371 464 H TYR 71 H TYR 71 -0.387 -3.533 0.870 465 HA TYR 71 HA TYR 71 0.826 -1.651 2.626 466 HB2 TYR 71 HB2 TYR 71 -1.422 -1.855 3.067 467 HB3 TYR 71 HB3 TYR 71 -1.431 -3.593 2.772 468 HD1 TYR 71 HD1 TYR 71 -0.528 -0.998 5.267 469 HD2 TYR 71 HD2 TYR 71 -1.192 -5.136 4.526 470 HE1 TYR 71 HE1 TYR 71 -0.505 -1.430 7.690 471 HE2 TYR 71 HE2 TYR 71 -1.172 -5.578 6.944 472 HH TYR 71 HH TYR 71 -0.475 -4.667 8.980 473 H VAL 72 H VAL 72 2.406 -1.909 4.033 474 HA VAL 72 HA VAL 72 3.911 -4.360 3.919 475 HB VAL 72 HB VAL 72 4.498 -1.921 5.597 476 HG11 VAL 72 2HG1 VAL 72 5.760 -3.826 6.295 477 HG12 VAL 72 1HG1 VAL 72 6.836 -2.752 5.398 478 HG13 VAL 72 3HG1 VAL 72 6.201 -4.206 4.628 479 HG21 VAL 72 3HG2 VAL 72 5.932 -1.148 3.783 480 HG22 VAL 72 2HG2 VAL 72 4.255 -1.273 3.245 481 HG23 VAL 72 1HG2 VAL 72 5.426 -2.515 2.786 482 H GLU 73 H GLU 73 3.597 -6.001 5.215 483 HA GLU 73 HA GLU 73 2.038 -5.717 7.630 484 HB2 GLU 73 HB2 GLU 73 3.392 -8.164 6.475 485 HB3 GLU 73 HB3 GLU 73 2.196 -8.150 7.763 486 HG2 GLU 73 HG2 GLU 73 0.540 -7.247 6.194 487 HG3 GLU 73 HG3 GLU 73 1.738 -7.335 4.905 488 H SER 74 H SER 74 5.350 -6.519 6.691 489 HA SER 74 HA SER 74 6.486 -5.595 9.117 490 HB2 SER 74 HB2 SER 74 6.315 -8.599 8.745 491 HB3 SER 74 HB3 SER 74 7.414 -7.813 9.874 492 HG SER 74 HG SER 74 4.822 -6.968 10.140 493 H VAL 75 H VAL 75 8.611 -5.135 8.771 494 HA VAL 75 HA VAL 75 9.907 -6.289 6.416 495 HB VAL 75 HB VAL 75 10.226 -3.892 6.668 496 HG11 VAL 75 2HG1 VAL 75 11.488 -4.505 9.334 497 HG12 VAL 75 1HG1 VAL 75 9.945 -3.690 9.077 498 HG13 VAL 75 3HG1 VAL 75 11.444 -2.927 8.548 499 HG21 VAL 75 3HG2 VAL 75 12.693 -3.802 6.643 500 HG22 VAL 75 2HG2 VAL 75 12.047 -5.125 5.669 501 HG23 VAL 75 1HG2 VAL 75 12.735 -5.454 7.260 502 H ASN 76 H ASN 76 11.258 -7.978 6.583 503 HA ASN 76 HA ASN 76 11.449 -9.211 9.180 504 HB2 ASN 76 HB2 ASN 76 12.442 -10.156 6.483 505 HB3 ASN 76 HB3 ASN 76 12.464 -11.114 7.961 506 HD21 ASN 76 1HD2 ASN 76 10.498 -9.773 5.446 507 HD22 ASN 76 2HD2 ASN 76 9.045 -10.645 5.827 508 H SER 77 H SER 77 13.440 -10.052 10.065 509 HA SER 77 HA SER 77 15.548 -8.218 10.213 510 HB2 SER 77 HB2 SER 77 15.723 -11.182 10.789 511 HB3 SER 77 HB3 SER 77 16.699 -9.898 11.498 512 HG SER 77 HG SER 77 14.553 -10.869 12.522 513 H ASP 78 H ASP 78 14.878 -10.712 7.933 514 HA ASP 78 HA ASP 78 17.447 -11.106 6.828 515 HB2 ASP 78 HB2 ASP 78 14.678 -11.345 5.643 516 HB3 ASP 78 HB3 ASP 78 16.136 -11.785 4.765 517 H GLY 79 H GLY 79 15.430 -8.392 6.825 518 HA2 GLY 79 HA1 GLY 79 15.887 -6.315 5.816 519 HA3 GLY 79 HA2 GLY 79 16.969 -7.124 4.686 520 H SER 80 H SER 80 14.821 -9.214 4.364 521 HA SER 80 HA SER 80 13.487 -8.034 2.131 522 HB2 SER 80 HB2 SER 80 12.987 -10.731 3.405 523 HB3 SER 80 HB3 SER 80 12.562 -10.229 1.767 524 HG SER 80 HG SER 80 14.609 -11.514 2.147 525 H VAL 81 H VAL 81 11.331 -7.565 1.919 526 HA VAL 81 HA VAL 81 10.020 -7.010 4.494 527 HB VAL 81 HB VAL 81 9.627 -5.597 1.855 528 HG11 VAL 81 2HG1 VAL 81 7.697 -5.450 3.326 529 HG12 VAL 81 1HG1 VAL 81 8.516 -3.891 3.212 530 HG13 VAL 81 3HG1 VAL 81 8.728 -4.897 4.646 531 HG21 VAL 81 3HG2 VAL 81 10.948 -3.789 2.833 532 HG22 VAL 81 2HG2 VAL 81 11.890 -5.275 2.695 533 HG23 VAL 81 1HG2 VAL 81 11.247 -4.782 4.263 534 H THR 82 H THR 82 8.172 -7.947 4.946 535 HA THR 82 HA THR 82 6.781 -9.499 2.921 536 HB THR 82 HB THR 82 6.338 -9.250 5.907 537 HG1 THR 82 HG1 THR 82 7.358 -11.460 4.428 538 HG21 THR 82 3HG2 THR 82 5.108 -11.178 3.925 539 HG22 THR 82 1HG2 THR 82 4.264 -9.855 4.731 540 HG23 THR 82 2HG2 THR 82 4.887 -11.210 5.674 541 H ILE 83 H ILE 83 5.248 -8.564 1.759 542 HA ILE 83 HA ILE 83 3.508 -6.554 3.026 543 HB ILE 83 HB ILE 83 3.427 -5.331 0.863 544 HG12 ILE 83 2HG1 ILE 83 5.772 -7.100 0.131 545 HG13 ILE 83 3HG1 ILE 83 4.168 -7.189 -0.585 546 HG21 ILE 83 2HG2 ILE 83 4.831 -4.497 2.635 547 HG22 ILE 83 1HG2 ILE 83 5.628 -4.247 1.084 548 HG23 ILE 83 3HG2 ILE 83 6.145 -5.560 2.142 549 HD11 ILE 83 3HD1 ILE 83 4.439 -4.939 -1.481 550 HD12 ILE 83 2HD1 ILE 83 5.717 -6.018 -2.038 551 HD13 ILE 83 1HD1 ILE 83 6.046 -4.845 -0.763 552 H SER 84 H SER 84 1.376 -6.431 2.151 553 HA SER 84 HA SER 84 0.637 -8.599 0.324 554 HB2 SER 84 HB2 SER 84 -0.606 -8.050 3.019 555 HB3 SER 84 HB3 SER 84 -1.415 -8.993 1.769 556 HG SER 84 HG SER 84 0.894 -9.598 3.263 557 H GLU 85 H GLU 85 -0.895 -8.105 -1.117 558 HA GLU 85 HA GLU 85 -2.417 -5.620 -0.832 559 HB2 GLU 85 HB2 GLU 85 -1.905 -5.105 -3.241 560 HB3 GLU 85 HB3 GLU 85 -0.533 -4.954 -2.154 561 HG2 GLU 85 HG2 GLU 85 0.065 -7.331 -2.863 562 HG3 GLU 85 HG3 GLU 85 -1.098 -7.101 -4.166 563 H MET 86 H MET 86 -4.484 -6.253 -0.903 564 HA MET 86 HA MET 86 -5.325 -8.692 -2.083 565 HB2 MET 86 HB2 MET 86 -6.480 -6.683 -0.430 566 HB3 MET 86 HB3 MET 86 -7.561 -6.981 -1.781 567 HG2 MET 86 HG2 MET 86 -8.283 -8.472 -0.182 568 HG3 MET 86 HG3 MET 86 -7.247 -9.454 -1.207 569 HE1 MET 86 HE1 MET 86 -6.894 -10.610 2.648 570 HE2 MET 86 HE2 MET 86 -8.243 -9.587 2.151 571 HE3 MET 86 HE3 MET 86 -7.748 -10.946 1.141 572 H ASN 87 H ASN 87 -6.145 -9.141 -3.979 573 HA ASN 87 HA ASN 87 -6.974 -8.998 -6.074 574 HB2 ASN 87 HB2 ASN 87 -8.703 -7.539 -5.194 575 HB3 ASN 87 HB3 ASN 87 -7.637 -6.145 -5.327 576 HD21 ASN 87 1HD2 ASN 87 -8.992 -5.037 -6.695 577 HD22 ASN 87 2HD2 ASN 87 -9.264 -5.496 -8.339 578 H TYR 88 H TYR 88 -5.412 -5.828 -5.489 579 HA TYR 88 HA TYR 88 -3.902 -4.644 -6.716 580 HB2 TYR 88 HB2 TYR 88 -2.438 -6.499 -6.055 581 HB3 TYR 88 HB3 TYR 88 -2.957 -7.431 -7.451 582 HD1 TYR 88 HD2 TYR 88 -1.774 -3.896 -7.041 583 HD2 TYR 88 HD1 TYR 88 -1.215 -7.677 -8.916 584 HE1 TYR 88 HE2 TYR 88 0.079 -2.961 -8.363 585 HE2 TYR 88 HE1 TYR 88 0.634 -6.754 -10.240 586 HH TYR 88 HH TYR 88 1.415 -4.579 -11.046 587 H SER 89 H SER 89 -6.453 -5.233 -7.854 588 HA SER 89 HA SER 89 -7.655 -5.070 -9.760 589 HB2 SER 89 HB2 SER 89 -5.090 -3.944 -10.904 590 HB3 SER 89 HB3 SER 89 -6.709 -3.735 -11.574 591 HG SER 89 HG SER 89 -6.970 -2.136 -10.257 592 H GLY 90 H GLY 90 -7.438 -7.489 -9.582 593 HA2 GLY 90 HA1 GLY 90 -7.015 -8.580 -12.164 594 HA3 GLY 90 HA2 GLY 90 -5.692 -9.027 -11.096 595 H GLY 91 H GLY 91 -6.464 -9.891 -8.893 596 HA2 GLY 91 HA1 GLY 91 -8.752 -11.700 -9.374 597 HA3 GLY 91 HA2 GLY 91 -7.345 -12.126 -8.408 598 HA PRO 92 HA PRO 92 -10.659 -9.054 -6.269 599 HB2 PRO 92 HB2 PRO 92 -12.562 -11.352 -6.323 600 HB3 PRO 92 HB3 PRO 92 -12.888 -9.615 -6.377 601 HG2 PRO 92 HG2 PRO 92 -13.041 -11.052 -8.593 602 HG3 PRO 92 HG3 PRO 92 -12.302 -9.438 -8.622 603 HD2 PRO 92 HD2 PRO 92 -10.992 -12.126 -8.675 604 HD3 PRO 92 HD3 PRO 92 -10.540 -10.632 -9.525 605 H PHE 93 H PHE 93 -9.719 -9.035 -4.389 606 HA PHE 93 HA PHE 93 -9.218 -9.470 -2.242 607 HB2 PHE 93 HB2 PHE 93 -11.096 -11.808 -2.555 608 HB3 PHE 93 HB3 PHE 93 -10.346 -11.309 -1.039 609 HD1 PHE 93 HD2 PHE 93 -10.843 -8.977 -0.176 610 HD2 PHE 93 HD1 PHE 93 -13.075 -10.821 -3.297 611 HE1 PHE 93 HE2 PHE 93 -12.690 -7.399 0.217 612 HE2 PHE 93 HE1 PHE 93 -14.923 -9.246 -2.911 613 HZ PHE 93 HZ PHE 93 -14.733 -7.533 -1.152 614 H SER 94 H SER 94 -8.054 -11.132 -4.711 615 HA SER 94 HA SER 94 -6.655 -13.213 -3.358 616 HB2 SER 94 HB2 SER 94 -5.999 -11.736 -5.917 617 HB3 SER 94 HB3 SER 94 -5.092 -13.129 -5.310 618 HG SER 94 HG SER 94 -7.014 -14.360 -5.485 619 H VAL 95 H VAL 95 -5.799 -12.398 -1.496 620 HA VAL 95 HA VAL 95 -4.299 -10.063 -1.305 621 HB VAL 95 HB VAL 95 -5.054 -11.036 0.722 622 HG11 VAL 95 2HG1 VAL 95 -3.435 -13.488 0.060 623 HG12 VAL 95 1HG1 VAL 95 -5.193 -13.356 0.024 624 HG13 VAL 95 3HG1 VAL 95 -4.330 -13.212 1.555 625 HG21 VAL 95 3HG2 VAL 95 -2.938 -9.868 0.907 626 HG22 VAL 95 2HG2 VAL 95 -2.063 -11.365 0.581 627 HG23 VAL 95 1HG2 VAL 95 -3.013 -11.203 2.058 628 H SER 96 H SER 96 -2.723 -9.729 -2.786 629 HA SER 96 HA SER 96 -0.991 -11.850 -3.656 630 HB2 SER 96 HB2 SER 96 -0.842 -8.874 -4.202 631 HB3 SER 96 HB3 SER 96 0.059 -10.127 -5.054 632 HG SER 96 HG SER 96 -2.771 -10.095 -4.919 633 H SER 97 H SER 97 0.085 -12.565 -1.902 634 HA SER 97 HA SER 97 1.506 -10.825 -0.125 635 HB2 SER 97 HB2 SER 97 1.804 -13.813 -0.525 636 HB3 SER 97 HB3 SER 97 2.359 -12.884 0.870 637 HG SER 97 HG SER 97 0.131 -12.321 1.228 638 H ARG 98 H ARG 98 3.277 -9.753 -0.668 639 HA ARG 98 HA ARG 98 5.109 -10.959 -2.647 640 HB2 ARG 98 HB2 ARG 98 4.660 -8.026 -2.050 641 HB3 ARG 98 HB3 ARG 98 5.808 -8.667 -3.215 642 HG2 ARG 98 HG2 ARG 98 2.831 -9.055 -3.380 643 HG3 ARG 98 HG3 ARG 98 3.720 -7.777 -4.207 644 HD2 ARG 98 HD2 ARG 98 3.439 -9.469 -5.810 645 HD3 ARG 98 HD3 ARG 98 5.105 -9.628 -5.257 646 HE ARG 98 HE ARG 98 3.737 -11.356 -3.664 647 HH11 ARG 98 2HH1 ARG 98 4.011 -10.921 -7.134 648 HH12 ARG 98 1HH1 ARG 98 3.661 -12.592 -7.490 649 HH21 ARG 98 2HH2 ARG 98 3.315 -13.540 -4.127 650 HH22 ARG 98 1HH2 ARG 98 3.297 -14.087 -5.778 651 H THR 99 H THR 99 7.385 -10.268 -2.409 652 HA THR 99 HA THR 99 8.138 -9.664 0.356 653 HB THR 99 HB THR 99 9.377 -11.895 -1.278 654 HG1 THR 99 HG1 THR 99 7.135 -11.896 0.073 655 HG21 THR 99 3HG2 THR 99 10.964 -10.798 0.243 656 HG22 THR 99 1HG2 THR 99 10.574 -12.424 0.803 657 HG23 THR 99 2HG2 THR 99 9.840 -11.024 1.584 658 H ILE 100 H ILE 100 9.239 -7.841 0.215 659 HA ILE 100 HA ILE 100 10.585 -7.099 -2.242 660 HB ILE 100 HB ILE 100 10.340 -5.595 0.366 661 HG12 ILE 100 2HG1 ILE 100 8.155 -5.916 -0.651 662 HG13 ILE 100 3HG1 ILE 100 8.659 -4.234 -0.828 663 HG21 ILE 100 2HG2 ILE 100 11.306 -4.720 -2.342 664 HG22 ILE 100 1HG2 ILE 100 12.247 -4.818 -0.854 665 HG23 ILE 100 3HG2 ILE 100 10.954 -3.627 -1.007 666 HD11 ILE 100 3HD1 ILE 100 9.275 -4.648 -3.139 667 HD12 ILE 100 2HD1 ILE 100 7.594 -5.096 -2.852 668 HD13 ILE 100 1HD1 ILE 100 8.834 -6.347 -2.971 669 H SER 101 H SER 101 12.691 -7.354 -2.613 670 HA SER 101 HA SER 101 14.491 -8.228 -0.534 671 HB2 SER 101 HB2 SER 101 15.002 -7.464 -3.423 672 HB3 SER 101 HB3 SER 101 16.189 -8.203 -2.344 673 HG SER 101 HG SER 101 14.553 -9.938 -2.101 674 H ALA 102 H ALA 102 16.026 -7.023 0.511 675 HA ALA 102 HA ALA 102 15.513 -4.405 1.121 676 HB1 ALA 102 HB1 ALA 102 18.209 -5.737 1.235 677 HB2 ALA 102 HB2 ALA 102 17.702 -4.321 2.158 678 HB3 ALA 102 HB3 ALA 102 16.937 -5.884 2.446 679 H SER 103 H SER 103 17.734 -5.570 -1.377 680 HA SER 103 HA SER 103 19.016 -3.181 -1.979 681 HB2 SER 103 HB2 SER 103 19.316 -4.241 -4.280 682 HB3 SER 103 HB3 SER 103 19.880 -5.187 -2.903 683 HG SER 103 HG SER 103 18.497 -6.238 -4.615 684 H GLU 104 H GLU 104 15.937 -4.434 -3.214 685 HA GLU 104 HA GLU 104 15.573 -1.981 -4.772 686 HB2 GLU 104 HB2 GLU 104 15.084 -4.437 -5.566 687 HB3 GLU 104 HB3 GLU 104 13.573 -4.207 -4.697 688 HG2 GLU 104 HG2 GLU 104 12.882 -2.484 -6.113 689 HG3 GLU 104 HG3 GLU 104 14.509 -2.229 -6.741 690 H ALA 105 H ALA 105 14.797 -3.310 -1.760 691 HA ALA 105 HA ALA 105 12.346 -2.029 -1.203 692 HB1 ALA 105 HB1 ALA 105 12.976 -2.268 1.164 693 HB2 ALA 105 HB2 ALA 105 13.239 -3.758 0.256 694 HB3 ALA 105 HB3 ALA 105 14.606 -2.726 0.672 695 H GLY 106 H GLY 106 15.694 -0.984 -1.060 696 HA2 GLY 106 HA1 GLY 106 15.192 1.587 0.047 697 HA3 GLY 106 HA2 GLY 106 16.622 1.113 -0.860 698 H ASN 107 H ASN 107 14.410 0.299 -2.966 699 HA ASN 107 HA ASN 107 14.642 2.760 -4.476 700 HB2 ASN 107 HB2 ASN 107 14.999 0.761 -5.725 701 HB3 ASN 107 HB3 ASN 107 13.522 0.025 -5.108 702 HD21 ASN 107 1HD2 ASN 107 11.486 0.764 -5.929 703 HD22 ASN 107 2HD2 ASN 107 11.399 1.569 -7.451 704 H TYR 108 H TYR 108 12.011 0.729 -3.189 705 HA TYR 108 HA TYR 108 9.968 2.277 -4.418 706 HB2 TYR 108 HB2 TYR 108 9.691 0.419 -2.071 707 HB3 TYR 108 HB3 TYR 108 8.433 0.907 -3.194 708 HD1 TYR 108 HD2 TYR 108 8.920 0.225 -5.734 709 HD2 TYR 108 HD1 TYR 108 10.668 -1.615 -2.322 710 HE1 TYR 108 HE2 TYR 108 9.313 -1.826 -7.042 711 HE2 TYR 108 HE1 TYR 108 11.062 -3.658 -3.617 712 HH TYR 108 HH TYR 108 10.993 -3.845 -6.872 713 H ASN 109 H ASN 109 8.638 3.815 -3.577 714 HA ASN 109 HA ASN 109 9.475 5.132 -1.127 715 HB2 ASN 109 HB2 ASN 109 7.359 5.822 -3.183 716 HB3 ASN 109 HB3 ASN 109 7.664 6.777 -1.736 717 HD21 ASN 109 1HD2 ASN 109 9.482 8.002 -1.590 718 HD22 ASN 109 2HD2 ASN 109 10.492 8.365 -2.948 719 H TYR 110 H TYR 110 7.954 5.614 0.576 720 HA TYR 110 HA TYR 110 5.400 4.215 0.510 721 HB2 TYR 110 HB2 TYR 110 5.672 2.992 2.471 722 HB3 TYR 110 HB3 TYR 110 7.232 2.785 1.688 723 HD1 TYR 110 HD1 TYR 110 9.145 4.281 2.455 724 HD2 TYR 110 HD2 TYR 110 5.516 3.858 4.618 725 HE1 TYR 110 HE1 TYR 110 10.254 5.129 4.472 726 HE2 TYR 110 HE2 TYR 110 6.614 4.714 6.647 727 HH TYR 110 HH TYR 110 9.130 4.764 7.493 728 H ILE 111 H ILE 111 3.881 5.119 2.106 729 HA ILE 111 HA ILE 111 4.711 7.840 2.849 730 HB ILE 111 HB ILE 111 2.479 8.634 2.325 731 HG12 ILE 111 2HG1 ILE 111 1.910 5.813 1.382 732 HG13 ILE 111 3HG1 ILE 111 1.255 6.533 2.844 733 HG21 ILE 111 2HG2 ILE 111 2.545 8.344 -0.118 734 HG22 ILE 111 1HG2 ILE 111 3.686 7.014 0.081 735 HG23 ILE 111 3HG2 ILE 111 4.147 8.650 0.555 736 HD11 ILE 111 3HD1 ILE 111 -0.397 6.574 1.099 737 HD12 ILE 111 2HD1 ILE 111 0.720 7.403 0.011 738 HD13 ILE 111 1HD1 ILE 111 0.114 8.224 1.453 739 H HIS 112 H HIS 112 4.150 8.565 4.855 740 HA HIS 112 HA HIS 112 2.306 7.024 6.467 741 HB2 HIS 112 HB2 HIS 112 3.824 6.465 8.227 742 HB3 HIS 112 HB3 HIS 112 4.538 5.881 6.731 743 HD1 HIS 112 HD1 HIS 112 4.985 8.437 9.428 744 HD2 HIS 112 HD2 HIS 112 7.006 7.058 6.043 745 HE1 HIS 112 HE1 HIS 112 7.281 9.430 9.561 746 HE2 HIS 112 HE2 HIS 112 8.555 8.355 7.681 747 H ILE 113 H ILE 113 1.534 8.166 8.262 748 HA ILE 113 HA ILE 113 1.723 10.993 8.126 749 HB ILE 113 HB ILE 113 0.376 10.811 10.292 750 HG12 ILE 113 2HG1 ILE 113 0.274 7.918 9.443 751 HG13 ILE 113 3HG1 ILE 113 1.103 8.522 10.873 752 HG21 ILE 113 2HG2 ILE 113 -0.689 9.567 7.768 753 HG22 ILE 113 1HG2 ILE 113 -0.625 11.291 8.136 754 HG23 ILE 113 3HG2 ILE 113 -1.668 10.227 9.078 755 HD11 ILE 113 3HD1 ILE 113 -1.036 7.530 11.445 756 HD12 ILE 113 2HD1 ILE 113 -1.863 8.654 10.365 757 HD13 ILE 113 1HD1 ILE 113 -1.030 9.259 11.797 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 -9.858 12.582 9.771 2 H2 GLY 1 H2 GLY 1 -9.987 13.876 10.856 3 H3 GLY 1 H3 GLY 1 -8.633 13.752 9.841 4 HA2 GLY 1 HA2 GLY 1 -10.103 15.435 8.998 5 HA3 GLY 1 HA1 GLY 1 -10.042 14.067 7.894 6 H SER 2 H SER 2 -12.114 16.227 8.716 7 HA SER 2 HA SER 2 -14.313 14.582 9.670 8 HB2 SER 2 HB2 SER 2 -14.292 17.499 8.857 9 HB3 SER 2 HB3 SER 2 -15.562 16.668 9.756 10 HG SER 2 HG SER 2 -13.416 17.868 10.719 11 H SER 3 H SER 3 -12.893 14.833 6.815 12 HA SER 3 HA SER 3 -14.981 15.303 4.978 13 HB2 SER 3 HB2 SER 3 -13.357 13.840 3.511 14 HB3 SER 3 HB3 SER 3 -12.862 15.449 4.044 15 HG SER 3 HG SER 3 -11.415 13.462 4.393 16 H ILE 4 H ILE 4 -14.167 12.605 6.962 17 HA ILE 4 HA ILE 4 -16.310 11.056 5.675 18 HB ILE 4 HB ILE 4 -15.130 8.982 6.430 19 HG12 ILE 4 2HG1 ILE 4 -12.810 10.879 6.870 20 HG13 ILE 4 3HG1 ILE 4 -13.686 10.026 8.136 21 HG21 ILE 4 2HG2 ILE 4 -13.616 10.697 4.464 22 HG22 ILE 4 1HG2 ILE 4 -15.050 9.734 4.107 23 HG23 ILE 4 3HG2 ILE 4 -13.547 8.939 4.577 24 HD11 ILE 4 3HD1 ILE 4 -12.924 7.893 7.232 25 HD12 ILE 4 2HD1 ILE 4 -11.567 8.942 7.644 26 HD13 ILE 4 1HD1 ILE 4 -12.050 8.744 5.960 27 H SER 5 H SER 5 -17.756 10.046 7.039 28 HA SER 5 HA SER 5 -17.326 10.352 9.928 29 HB2 SER 5 HB2 SER 5 -18.830 12.145 9.251 30 HB3 SER 5 HB3 SER 5 -19.869 10.997 8.411 31 HG SER 5 HG SER 5 -19.670 11.586 11.107 32 H HIS 6 H HIS 6 -19.951 9.061 7.900 33 HA HIS 6 HA HIS 6 -19.641 6.474 9.290 34 HB2 HIS 6 HB2 HIS 6 -22.040 7.531 7.765 35 HB3 HIS 6 HB3 HIS 6 -21.967 6.027 8.675 36 HD1 HIS 6 HD1 HIS 6 -23.695 8.880 9.045 37 HD2 HIS 6 HD2 HIS 6 -20.824 7.147 11.515 38 HE1 HIS 6 HE1 HIS 6 -24.101 9.831 11.340 39 HE2 HIS 6 HE2 HIS 6 -22.470 8.643 12.842 40 H SER 7 H SER 7 -18.439 7.832 6.782 41 HA SER 7 HA SER 7 -19.256 6.417 4.499 42 HB2 SER 7 HB2 SER 7 -16.513 7.579 4.974 43 HB3 SER 7 HB3 SER 7 -17.378 7.421 3.443 44 HG SER 7 HG SER 7 -18.947 8.917 4.332 45 H GLY 8 H GLY 8 -16.679 5.830 6.858 46 HA2 GLY 8 HA1 GLY 8 -15.416 3.959 7.283 47 HA3 GLY 8 HA2 GLY 8 -16.576 3.049 6.322 48 H ASN 9 H ASN 9 -15.603 2.006 4.719 49 HA ASN 9 HA ASN 9 -13.206 3.137 3.501 50 HB2 ASN 9 HB2 ASN 9 -13.458 0.670 4.138 51 HB3 ASN 9 HB3 ASN 9 -14.542 0.536 2.758 52 HD21 ASN 9 1HD2 ASN 9 -11.929 -0.682 3.323 53 HD22 ASN 9 2HD2 ASN 9 -10.939 -0.284 1.954 54 H LEU 10 H LEU 10 -13.124 3.962 1.487 55 HA LEU 10 HA LEU 10 -15.721 4.669 0.354 56 HB2 LEU 10 HB2 LEU 10 -12.980 5.840 -0.054 57 HB3 LEU 10 HB3 LEU 10 -14.443 6.444 -0.813 58 HG LEU 10 HG LEU 10 -13.876 6.425 2.156 59 HD11 LEU 10 2HD1 LEU 10 -13.978 8.683 0.158 60 HD12 LEU 10 1HD1 LEU 10 -12.541 8.076 0.983 61 HD13 LEU 10 3HD1 LEU 10 -13.820 8.868 1.904 62 HD21 LEU 10 3HD2 LEU 10 -16.221 7.549 0.628 63 HD22 LEU 10 2HD2 LEU 10 -15.943 7.692 2.363 64 HD23 LEU 10 1HD2 LEU 10 -16.251 6.110 1.647 65 H TYR 11 H TYR 11 -13.220 2.507 -0.304 66 HA TYR 11 HA TYR 11 -13.384 2.895 -3.187 67 HB2 TYR 11 HB2 TYR 11 -11.226 2.402 -1.720 68 HB3 TYR 11 HB3 TYR 11 -11.706 0.731 -2.003 69 HD1 TYR 11 HD2 TYR 11 -11.238 3.913 -3.910 70 HD2 TYR 11 HD1 TYR 11 -10.868 -0.324 -3.888 71 HE1 TYR 11 HE2 TYR 11 -10.209 3.997 -6.140 72 HE2 TYR 11 HE1 TYR 11 -9.845 -0.250 -6.122 73 HH TYR 11 HH TYR 11 -8.720 2.604 -7.550 74 H THR 12 H THR 12 -12.810 0.124 -3.839 75 HA THR 12 HA THR 12 -15.556 -0.571 -4.269 76 HB THR 12 HB THR 12 -13.212 -2.274 -5.077 77 HG1 THR 12 HG1 THR 12 -14.133 0.148 -6.295 78 HG21 THR 12 3HG2 THR 12 -15.837 -1.638 -6.429 79 HG22 THR 12 1HG2 THR 12 -15.462 -3.121 -5.552 80 HG23 THR 12 2HG2 THR 12 -14.593 -2.732 -7.036 81 H ALA 13 H ALA 13 -13.320 -3.187 -3.882 82 HA ALA 13 HA ALA 13 -13.911 -3.978 -1.261 83 HB1 ALA 13 HB1 ALA 13 -15.527 -5.406 -3.374 84 HB2 ALA 13 HB2 ALA 13 -15.441 -5.831 -1.665 85 HB3 ALA 13 HB3 ALA 13 -16.178 -4.306 -2.157 86 H GLY 14 H GLY 14 -12.030 -4.929 -0.863 87 HA2 GLY 14 HA1 GLY 14 -10.275 -6.405 -1.015 88 HA3 GLY 14 HA2 GLY 14 -11.225 -7.303 -2.188 89 H GLN 15 H GLN 15 -10.120 -3.955 -2.383 90 HA GLN 15 HA GLN 15 -8.682 -4.645 -4.862 91 HB2 GLN 15 HB2 GLN 15 -9.561 -1.896 -3.969 92 HB3 GLN 15 HB3 GLN 15 -8.996 -2.371 -5.564 93 HG2 GLN 15 HG2 GLN 15 -11.508 -3.455 -4.326 94 HG3 GLN 15 HG3 GLN 15 -11.471 -2.001 -5.320 95 HE21 GLN 15 1HE2 GLN 15 -9.495 -2.958 -7.161 96 HE22 GLN 15 2HE2 GLN 15 -10.249 -4.173 -8.133 97 H CYS 16 H CYS 16 -6.789 -3.073 -5.288 98 HA CYS 16 HA CYS 16 -4.798 -3.521 -3.378 99 HB2 CYS 16 HB2 CYS 16 -3.520 -1.757 -4.716 100 HB3 CYS 16 HB3 CYS 16 -4.083 -3.181 -5.585 101 HG CYS 16 HG CYS 16 -6.087 -1.966 -6.950 102 H THR 17 H THR 17 -6.240 -0.357 -4.219 103 HA THR 17 HA THR 17 -5.057 0.856 -1.888 104 HB THR 17 HB THR 17 -6.305 2.901 -2.705 105 HG1 THR 17 HG1 THR 17 -7.190 2.698 -4.839 106 HG21 THR 17 3HG2 THR 17 -3.977 2.498 -3.308 107 HG22 THR 17 1HG2 THR 17 -4.850 3.222 -4.658 108 HG23 THR 17 2HG2 THR 17 -4.489 1.497 -4.667 109 H TRP 18 H TRP 18 -7.504 -1.165 -2.088 110 HA TRP 18 HA TRP 18 -9.364 0.270 -0.343 111 HB2 TRP 18 HB2 TRP 18 -10.290 -0.982 -2.255 112 HB3 TRP 18 HB3 TRP 18 -9.550 -2.454 -1.646 113 HD1 TRP 18 HD1 TRP 18 -12.538 -0.166 -1.131 114 HE1 TRP 18 HE1 TRP 18 -14.219 -1.335 0.433 115 HE3 TRP 18 HE3 TRP 18 -9.657 -4.119 0.381 116 HZ2 TRP 18 HZ2 TRP 18 -14.305 -3.597 2.098 117 HZ3 TRP 18 HZ3 TRP 18 -10.618 -5.729 1.970 118 HH2 TRP 18 HH2 TRP 18 -12.893 -5.474 2.813 119 H TYR 19 H TYR 19 -7.568 -2.795 -0.503 120 HA TYR 19 HA TYR 19 -8.106 -3.577 2.162 121 HB2 TYR 19 HB2 TYR 19 -7.436 -5.205 0.509 122 HB3 TYR 19 HB3 TYR 19 -5.914 -4.367 0.236 123 HD1 TYR 19 HD1 TYR 19 -7.825 -6.249 2.811 124 HD2 TYR 19 HD2 TYR 19 -4.016 -4.923 1.467 125 HE1 TYR 19 HE1 TYR 19 -6.739 -7.676 4.495 126 HE2 TYR 19 HE2 TYR 19 -2.920 -6.345 3.140 127 HH TYR 19 HH TYR 19 -4.535 -8.792 4.820 128 H VAL 20 H VAL 20 -5.385 -1.926 0.645 129 HA VAL 20 HA VAL 20 -3.749 -1.611 2.879 130 HB VAL 20 HB VAL 20 -4.131 0.181 0.474 131 HG11 VAL 20 2HG1 VAL 20 -3.180 1.491 2.282 132 HG12 VAL 20 1HG1 VAL 20 -1.956 1.164 1.054 133 HG13 VAL 20 3HG1 VAL 20 -1.958 0.251 2.563 134 HG21 VAL 20 3HG2 VAL 20 -2.057 -0.865 -0.307 135 HG22 VAL 20 2HG2 VAL 20 -3.325 -2.062 -0.037 136 HG23 VAL 20 1HG2 VAL 20 -2.025 -1.873 1.141 137 H TYR 21 H TYR 21 -6.544 0.221 1.800 138 HA TYR 21 HA TYR 21 -6.207 2.385 3.610 139 HB2 TYR 21 HB2 TYR 21 -7.520 2.462 1.463 140 HB3 TYR 21 HB3 TYR 21 -8.759 1.501 2.260 141 HD1 TYR 21 HD1 TYR 21 -6.814 4.633 2.819 142 HD2 TYR 21 HD2 TYR 21 -10.534 2.606 3.208 143 HE1 TYR 21 HE1 TYR 21 -7.834 6.688 3.680 144 HE2 TYR 21 HE2 TYR 21 -11.571 4.661 4.067 145 HH TYR 21 HH TYR 21 -10.821 6.769 5.212 146 H ASP 22 H ASP 22 -7.975 -0.667 3.706 147 HA ASP 22 HA ASP 22 -9.338 -0.110 6.145 148 HB2 ASP 22 HB2 ASP 22 -10.114 -1.872 4.609 149 HB3 ASP 22 HB3 ASP 22 -8.644 -2.791 4.923 150 H LYS 23 H LYS 23 -6.256 -1.621 5.345 151 HA LYS 23 HA LYS 23 -5.734 -2.672 7.919 152 HB2 LYS 23 HB2 LYS 23 -3.926 -2.019 5.601 153 HB3 LYS 23 HB3 LYS 23 -3.339 -2.758 7.087 154 HG2 LYS 23 HG2 LYS 23 -5.483 -3.928 5.324 155 HG3 LYS 23 HG3 LYS 23 -3.778 -4.378 5.277 156 HD2 LYS 23 HD2 LYS 23 -5.617 -4.658 7.655 157 HD3 LYS 23 HD3 LYS 23 -5.080 -5.971 6.602 158 HE2 LYS 23 HE2 LYS 23 -2.740 -5.446 7.239 159 HE3 LYS 23 HE3 LYS 23 -3.355 -4.250 8.379 160 HZ1 LYS 23 HZ1 LYS 23 -3.837 -7.181 8.448 161 HZ2 LYS 23 HZ2 LYS 23 -4.568 -6.067 9.495 162 HZ3 LYS 23 HZ3 LYS 23 -2.888 -6.282 9.527 163 H VAL 24 H VAL 24 -5.562 0.532 6.735 164 HA VAL 24 HA VAL 24 -3.865 1.317 9.002 165 HB VAL 24 HB VAL 24 -3.711 3.531 7.939 166 HG11 VAL 24 2HG1 VAL 24 -2.306 2.862 6.048 167 HG12 VAL 24 1HG1 VAL 24 -2.987 1.238 6.122 168 HG13 VAL 24 3HG1 VAL 24 -2.020 1.850 7.464 169 HG21 VAL 24 3HG2 VAL 24 -5.816 3.621 6.770 170 HG22 VAL 24 2HG2 VAL 24 -5.345 2.265 5.745 171 HG23 VAL 24 1HG2 VAL 24 -4.498 3.806 5.613 172 H GLY 25 H GLY 25 -6.944 0.675 8.599 173 HA2 GLY 25 HA1 GLY 25 -8.742 1.127 9.962 174 HA3 GLY 25 HA2 GLY 25 -7.724 2.244 10.855 175 H GLY 26 H GLY 26 -7.735 2.948 7.549 176 HA2 GLY 26 HA1 GLY 26 -8.881 4.515 6.284 177 HA3 GLY 26 HA2 GLY 26 -10.097 4.597 7.549 178 H GLU 27 H GLU 27 -7.064 4.994 8.888 179 HA GLU 27 HA GLU 27 -7.469 7.731 9.516 180 HB2 GLU 27 HB2 GLU 27 -6.220 6.300 11.021 181 HB3 GLU 27 HB3 GLU 27 -5.030 5.960 9.773 182 HG2 GLU 27 HG2 GLU 27 -4.384 8.343 9.793 183 HG3 GLU 27 HG3 GLU 27 -5.520 8.608 11.116 184 H ILE 28 H ILE 28 -5.522 6.031 7.158 185 HA ILE 28 HA ILE 28 -4.707 8.609 6.019 186 HB ILE 28 HB ILE 28 -2.608 8.025 6.478 187 HG12 ILE 28 2HG1 ILE 28 -3.049 7.164 3.987 188 HG13 ILE 28 3HG1 ILE 28 -1.471 7.024 4.762 189 HG21 ILE 28 2HG2 ILE 28 -3.530 5.199 6.938 190 HG22 ILE 28 1HG2 ILE 28 -3.285 6.451 8.155 191 HG23 ILE 28 3HG2 ILE 28 -1.906 5.801 7.267 192 HD11 ILE 28 3HD1 ILE 28 -3.554 4.868 4.450 193 HD12 ILE 28 2HD1 ILE 28 -2.070 4.691 5.389 194 HD13 ILE 28 1HD1 ILE 28 -1.983 4.970 3.649 195 H GLY 29 H GLY 29 -5.150 8.923 3.910 196 HA2 GLY 29 HA1 GLY 29 -4.731 7.815 1.709 197 HA3 GLY 29 HA2 GLY 29 -5.755 6.525 2.309 198 H SER 30 H SER 30 -7.367 6.541 0.974 199 HA SER 30 HA SER 30 -9.271 7.022 -0.071 200 HB2 SER 30 HB2 SER 30 -10.819 8.655 0.814 201 HB3 SER 30 HB3 SER 30 -10.051 7.798 2.145 202 HG SER 30 HG SER 30 -8.661 9.620 2.385 203 H THR 31 H THR 31 -7.630 10.161 0.421 204 HA THR 31 HA THR 31 -8.454 10.929 -2.271 205 HB THR 31 HB THR 31 -8.815 12.523 -0.427 206 HG1 THR 31 HG1 THR 31 -6.967 13.269 -2.459 207 HG21 THR 31 3HG2 THR 31 -6.899 11.966 0.974 208 HG22 THR 31 1HG2 THR 31 -6.897 13.687 0.585 209 HG23 THR 31 2HG2 THR 31 -5.800 12.590 -0.254 210 H TRP 32 H TRP 32 -6.117 9.040 -1.395 211 HA TRP 32 HA TRP 32 -3.812 10.380 -2.506 212 HB2 TRP 32 HB2 TRP 32 -2.663 8.215 -2.168 213 HB3 TRP 32 HB3 TRP 32 -3.448 8.802 -0.706 214 HD1 TRP 32 HD1 TRP 32 -5.535 7.088 -3.372 215 HE1 TRP 32 HE1 TRP 32 -6.350 4.852 -2.480 216 HE3 TRP 32 HE3 TRP 32 -2.800 6.927 0.921 217 HZ2 TRP 32 HZ2 TRP 32 -5.905 3.185 -0.226 218 HZ3 TRP 32 HZ3 TRP 32 -3.049 4.962 2.398 219 HH2 TRP 32 HH2 TRP 32 -4.567 3.138 1.835 220 H GLY 33 H GLY 33 -6.483 9.058 -3.872 221 HA2 GLY 33 HA1 GLY 33 -6.917 8.705 -6.134 222 HA3 GLY 33 HA2 GLY 33 -5.189 8.838 -6.436 223 H ASN 34 H ASN 34 -4.264 7.091 -7.127 224 HA ASN 34 HA ASN 34 -5.040 4.530 -5.941 225 HB2 ASN 34 HB2 ASN 34 -4.494 4.964 -8.891 226 HB3 ASN 34 HB3 ASN 34 -4.707 3.399 -8.115 227 HD21 ASN 34 1HD2 ASN 34 -6.256 6.264 -9.256 228 HD22 ASN 34 2HD2 ASN 34 -7.887 5.707 -9.084 229 H ALA 35 H ALA 35 -3.169 2.963 -7.239 230 HA ALA 35 HA ALA 35 -1.120 3.342 -5.371 231 HB1 ALA 35 HB1 ALA 35 -1.150 1.522 -7.766 232 HB2 ALA 35 HB2 ALA 35 -0.102 1.378 -6.353 233 HB3 ALA 35 HB3 ALA 35 -1.844 1.162 -6.184 234 H ASN 36 H ASN 36 -1.346 4.483 -8.639 235 HA ASN 36 HA ASN 36 1.519 4.819 -8.947 236 HB2 ASN 36 HB2 ASN 36 0.019 4.220 -10.859 237 HB3 ASN 36 HB3 ASN 36 -0.737 5.801 -10.718 238 HD21 ASN 36 1HD2 ASN 36 0.749 4.498 -12.905 239 HD22 ASN 36 2HD2 ASN 36 2.019 5.594 -13.324 240 H ASN 37 H ASN 37 -1.311 6.782 -8.319 241 HA ASN 37 HA ASN 37 0.161 9.271 -8.524 242 HB2 ASN 37 HB2 ASN 37 -2.356 8.697 -9.156 243 HB3 ASN 37 HB3 ASN 37 -2.636 9.108 -7.471 244 HD21 ASN 37 1HD2 ASN 37 -0.686 11.172 -7.272 245 HD22 ASN 37 2HD2 ASN 37 -1.241 12.509 -8.226 246 H TRP 38 H TRP 38 -0.039 6.970 -6.250 247 HA TRP 38 HA TRP 38 -0.863 7.945 -3.858 248 HB2 TRP 38 HB2 TRP 38 0.915 5.872 -4.744 249 HB3 TRP 38 HB3 TRP 38 1.518 6.612 -3.258 250 HD1 TRP 38 HD1 TRP 38 -2.114 5.706 -4.291 251 HE1 TRP 38 HE1 TRP 38 -3.093 4.281 -2.422 252 HE3 TRP 38 HE3 TRP 38 1.994 5.424 -1.291 253 HZ2 TRP 38 HZ2 TRP 38 -2.217 3.186 0.101 254 HZ3 TRP 38 HZ3 TRP 38 1.849 4.188 0.812 255 HH2 TRP 38 HH2 TRP 38 -0.203 3.090 1.475 256 H ALA 39 H ALA 39 2.583 8.058 -4.792 257 HA ALA 39 HA ALA 39 3.406 9.456 -2.535 258 HB1 ALA 39 HB1 ALA 39 4.964 8.251 -3.947 259 HB2 ALA 39 HB2 ALA 39 4.690 9.394 -5.264 260 HB3 ALA 39 HB3 ALA 39 5.473 9.930 -3.778 261 H ALA 40 H ALA 40 2.116 10.662 -5.561 262 HA ALA 40 HA ALA 40 2.786 13.404 -5.037 263 HB1 ALA 40 HB1 ALA 40 2.499 12.543 -7.328 264 HB2 ALA 40 HB2 ALA 40 0.788 12.276 -6.995 265 HB3 ALA 40 HB3 ALA 40 1.444 13.915 -6.988 266 H ALA 41 H ALA 41 -0.205 11.471 -4.897 267 HA ALA 41 HA ALA 41 -1.850 13.611 -4.023 268 HB1 ALA 41 HB1 ALA 41 -2.719 11.600 -5.151 269 HB2 ALA 41 HB2 ALA 41 -2.327 10.641 -3.724 270 HB3 ALA 41 HB3 ALA 41 -3.539 11.920 -3.625 271 H ALA 42 H ALA 42 -0.063 11.093 -2.342 272 HA ALA 42 HA ALA 42 -1.031 11.510 0.254 273 HB1 ALA 42 HB1 ALA 42 1.722 10.646 -0.622 274 HB2 ALA 42 HB2 ALA 42 1.041 10.449 0.994 275 HB3 ALA 42 HB3 ALA 42 0.329 9.592 -0.371 276 H GLN 43 H GLN 43 1.814 12.913 -1.397 277 HA GLN 43 HA GLN 43 2.531 14.651 0.718 278 HB2 GLN 43 HB2 GLN 43 3.168 14.665 -2.227 279 HB3 GLN 43 HB3 GLN 43 3.789 15.888 -1.126 280 HG2 GLN 43 HG2 GLN 43 4.872 14.138 0.196 281 HG3 GLN 43 HG3 GLN 43 4.260 12.921 -0.926 282 HE21 GLN 43 1HE2 GLN 43 5.180 12.730 -2.950 283 HE22 GLN 43 2HE2 GLN 43 6.699 13.459 -3.353 284 H GLY 44 H GLY 44 0.426 15.010 -2.086 285 HA2 GLY 44 HA1 GLY 44 -0.112 17.757 -1.835 286 HA3 GLY 44 HA2 GLY 44 -1.185 16.571 -2.566 287 H ALA 45 H ALA 45 -1.431 14.966 -0.163 288 HA ALA 45 HA ALA 45 -3.476 16.474 1.189 289 HB1 ALA 45 HB1 ALA 45 -2.412 13.705 1.753 290 HB2 ALA 45 HB2 ALA 45 -3.866 14.416 2.455 291 HB3 ALA 45 HB3 ALA 45 -3.789 14.096 0.721 292 H GLY 46 H GLY 46 -0.203 15.395 1.875 293 HA2 GLY 46 HA1 GLY 46 1.002 17.071 3.308 294 HA3 GLY 46 HA2 GLY 46 -0.331 16.875 4.431 295 H PHE 47 H PHE 47 1.062 14.173 2.675 296 HA PHE 47 HA PHE 47 1.971 13.021 5.204 297 HB2 PHE 47 HB2 PHE 47 1.950 11.819 2.424 298 HB3 PHE 47 HB3 PHE 47 2.395 10.971 3.890 299 HD1 PHE 47 HD1 PHE 47 -0.452 13.194 4.184 300 HD2 PHE 47 HD2 PHE 47 0.789 9.270 3.146 301 HE1 PHE 47 HE1 PHE 47 -2.789 12.426 4.319 302 HE2 PHE 47 HE2 PHE 47 -1.535 8.476 3.284 303 HZ PHE 47 HZ PHE 47 -3.330 10.064 3.871 304 H THR 48 H THR 48 4.137 11.952 5.226 305 HA THR 48 HA THR 48 6.103 13.437 3.594 306 HB THR 48 HB THR 48 6.737 11.925 6.127 307 HG1 THR 48 HG1 THR 48 5.468 13.464 6.986 308 HG21 THR 48 3HG2 THR 48 8.617 12.480 4.674 309 HG22 THR 48 1HG2 THR 48 8.685 13.419 6.164 310 HG23 THR 48 2HG2 THR 48 8.132 14.175 4.670 311 H VAL 49 H VAL 49 6.995 12.232 1.990 312 HA VAL 49 HA VAL 49 6.976 9.318 2.404 313 HB VAL 49 HB VAL 49 6.345 8.900 0.286 314 HG11 VAL 49 2HG1 VAL 49 4.600 10.331 1.149 315 HG12 VAL 49 1HG1 VAL 49 4.758 10.525 -0.595 316 HG13 VAL 49 3HG1 VAL 49 5.411 11.752 0.490 317 HG21 VAL 49 3HG2 VAL 49 8.277 9.673 -0.860 318 HG22 VAL 49 2HG2 VAL 49 7.819 11.364 -0.621 319 HG23 VAL 49 1HG2 VAL 49 6.868 10.333 -1.689 320 H ASN 50 H ASN 50 8.784 8.207 2.253 321 HA ASN 50 HA ASN 50 11.080 9.370 0.848 322 HB2 ASN 50 HB2 ASN 50 11.393 7.442 3.164 323 HB3 ASN 50 HB3 ASN 50 12.628 8.430 2.401 324 HD21 ASN 50 1HD2 ASN 50 10.333 8.189 4.877 325 HD22 ASN 50 2HD2 ASN 50 10.542 9.760 5.558 326 H HIS 51 H HIS 51 12.355 6.669 1.458 327 HA HIS 51 HA HIS 51 10.424 4.803 0.449 328 HB2 HIS 51 HB2 HIS 51 11.983 3.996 -1.408 329 HB3 HIS 51 HB3 HIS 51 11.129 5.502 -1.699 330 HD1 HIS 51 HD1 HIS 51 12.537 7.645 -1.922 331 HD2 HIS 51 HD2 HIS 51 14.780 4.218 -1.189 332 HE1 HIS 51 HE1 HIS 51 14.921 8.277 -2.403 333 HE2 HIS 51 HE2 HIS 51 16.229 6.147 -2.134 334 H THR 52 H THR 52 10.669 3.808 2.375 335 HA THR 52 HA THR 52 12.825 1.927 2.601 336 HB THR 52 HB THR 52 12.482 4.025 4.776 337 HG1 THR 52 HG1 THR 52 14.028 3.991 2.579 338 HG21 THR 52 3HG2 THR 52 14.383 2.881 5.856 339 HG22 THR 52 1HG2 THR 52 14.345 1.644 4.600 340 HG23 THR 52 2HG2 THR 52 12.982 1.821 5.705 341 HA PRO 53 HA PRO 53 8.759 0.236 3.914 342 HB2 PRO 53 HB2 PRO 53 9.773 -2.353 4.023 343 HB3 PRO 53 HB3 PRO 53 9.001 -1.616 2.616 344 HG2 PRO 53 HG2 PRO 53 11.911 -1.893 3.251 345 HG3 PRO 53 HG3 PRO 53 11.080 -2.088 1.696 346 HD2 PRO 53 HD2 PRO 53 12.448 0.130 2.223 347 HD3 PRO 53 HD3 PRO 53 10.887 0.203 1.368 348 H SER 54 H SER 54 7.987 -0.505 5.863 349 HA SER 54 HA SER 54 9.692 -1.332 8.001 350 HB2 SER 54 HB2 SER 54 9.040 0.694 9.436 351 HB3 SER 54 HB3 SER 54 10.276 0.964 8.208 352 HG SER 54 HG SER 54 8.144 2.369 8.501 353 H LYS 55 H LYS 55 8.487 -1.971 9.853 354 HA LYS 55 HA LYS 55 6.017 -3.144 9.329 355 HB2 LYS 55 HB2 LYS 55 7.477 -3.934 11.100 356 HB3 LYS 55 HB3 LYS 55 7.301 -2.418 11.970 357 HG2 LYS 55 HG2 LYS 55 4.952 -2.892 12.360 358 HG3 LYS 55 HG3 LYS 55 5.087 -4.386 11.436 359 HD2 LYS 55 HD2 LYS 55 5.192 -5.005 13.715 360 HD3 LYS 55 HD3 LYS 55 6.838 -5.121 13.099 361 HE2 LYS 55 HE2 LYS 55 5.824 -2.670 14.513 362 HE3 LYS 55 HE3 LYS 55 6.488 -4.042 15.393 363 HZ1 LYS 55 HZ1 LYS 55 8.192 -2.423 15.060 364 HZ2 LYS 55 HZ2 LYS 55 7.899 -2.351 13.394 365 HZ3 LYS 55 HZ3 LYS 55 8.554 -3.762 14.078 366 H GLY 56 H GLY 56 4.192 -2.103 8.843 367 HA2 GLY 56 HA1 GLY 56 2.258 -1.017 9.816 368 HA3 GLY 56 HA2 GLY 56 3.353 0.083 10.639 369 H ALA 57 H ALA 57 4.902 0.084 7.947 370 HA ALA 57 HA ALA 57 3.508 2.408 6.907 371 HB1 ALA 57 HB1 ALA 57 5.949 2.454 7.228 372 HB2 ALA 57 HB2 ALA 57 6.114 1.180 6.021 373 HB3 ALA 57 HB3 ALA 57 5.485 2.761 5.554 374 H ILE 58 H ILE 58 3.944 2.440 4.260 375 HA ILE 58 HA ILE 58 2.764 -0.031 3.219 376 HB ILE 58 HB ILE 58 1.805 2.722 2.445 377 HG12 ILE 58 2HG1 ILE 58 0.437 0.684 4.199 378 HG13 ILE 58 3HG1 ILE 58 1.279 2.092 4.818 379 HG21 ILE 58 2HG2 ILE 58 -0.038 1.409 1.416 380 HG22 ILE 58 1HG2 ILE 58 0.846 -0.067 1.811 381 HG23 ILE 58 3HG2 ILE 58 1.539 1.111 0.690 382 HD11 ILE 58 3HD1 ILE 58 -1.157 2.095 3.064 383 HD12 ILE 58 2HD1 ILE 58 -0.295 3.532 3.614 384 HD13 ILE 58 1HD1 ILE 58 -1.092 2.477 4.783 385 H LEU 59 H LEU 59 3.539 -0.697 1.363 386 HA LEU 59 HA LEU 59 5.879 0.508 0.238 387 HB2 LEU 59 HB2 LEU 59 5.143 -1.993 0.529 388 HB3 LEU 59 HB3 LEU 59 4.322 -1.737 -0.994 389 HG LEU 59 HG LEU 59 6.658 -0.944 -1.808 390 HD11 LEU 59 2HD1 LEU 59 7.686 -0.929 0.410 391 HD12 LEU 59 1HD1 LEU 59 8.504 -2.048 -0.681 392 HD13 LEU 59 3HD1 LEU 59 7.399 -2.664 0.549 393 HD21 LEU 59 3HD2 LEU 59 5.974 -3.828 -1.255 394 HD22 LEU 59 2HD2 LEU 59 7.198 -3.275 -2.401 395 HD23 LEU 59 1HD2 LEU 59 5.499 -2.883 -2.666 396 H GLN 60 H GLN 60 6.065 1.563 -1.749 397 HA GLN 60 HA GLN 60 3.740 1.683 -3.499 398 HB2 GLN 60 HB2 GLN 60 3.566 3.541 -1.790 399 HB3 GLN 60 HB3 GLN 60 5.024 4.226 -2.487 400 HG2 GLN 60 HG2 GLN 60 2.673 3.662 -4.232 401 HG3 GLN 60 HG3 GLN 60 2.668 5.078 -3.190 402 HE21 GLN 60 1HE2 GLN 60 2.589 4.987 -6.057 403 HE22 GLN 60 2HE2 GLN 60 3.991 5.833 -6.627 404 H SER 61 H SER 61 4.200 2.042 -5.578 405 HA SER 61 HA SER 61 6.772 3.131 -6.358 406 HB2 SER 61 HB2 SER 61 7.118 0.671 -6.324 407 HB3 SER 61 HB3 SER 61 5.757 0.480 -7.428 408 HG SER 61 HG SER 61 7.848 0.502 -8.458 409 H SER 62 H SER 62 6.458 4.572 -7.948 410 HA SER 62 HA SER 62 3.793 4.830 -9.049 411 HB2 SER 62 HB2 SER 62 6.226 6.511 -9.682 412 HB3 SER 62 HB3 SER 62 4.526 6.960 -9.860 413 HG SER 62 HG SER 62 6.108 6.791 -7.554 414 H GLU 63 H GLU 63 6.501 3.097 -9.846 415 HA GLU 63 HA GLU 63 6.237 3.342 -12.721 416 HB2 GLU 63 HB2 GLU 63 7.967 1.524 -11.037 417 HB3 GLU 63 HB3 GLU 63 8.026 1.631 -12.792 418 HG2 GLU 63 HG2 GLU 63 8.629 4.024 -12.576 419 HG3 GLU 63 HG3 GLU 63 8.704 3.807 -10.827 420 H GLY 64 H GLY 64 4.649 2.341 -13.714 421 HA2 GLY 64 HA1 GLY 64 4.138 -0.223 -14.098 422 HA3 GLY 64 HA2 GLY 64 3.413 -0.009 -12.509 423 HA PRO 65 HA PRO 65 0.344 1.118 -15.900 424 HB2 PRO 65 HB2 PRO 65 -1.633 -0.567 -15.012 425 HB3 PRO 65 HB3 PRO 65 -0.458 -0.990 -16.262 426 HG2 PRO 65 HG2 PRO 65 -0.502 -1.722 -13.371 427 HG3 PRO 65 HG3 PRO 65 0.011 -2.686 -14.766 428 HD2 PRO 65 HD2 PRO 65 1.752 -1.467 -13.064 429 HD3 PRO 65 HD3 PRO 65 2.117 -1.776 -14.773 430 H PHE 66 H PHE 66 -0.869 0.020 -12.740 431 HA PHE 66 HA PHE 66 -2.087 2.670 -12.377 432 HB2 PHE 66 HB2 PHE 66 -2.819 -0.011 -11.174 433 HB3 PHE 66 HB3 PHE 66 -3.579 1.514 -10.731 434 HD1 PHE 66 HD2 PHE 66 -5.091 2.639 -12.253 435 HD2 PHE 66 HD1 PHE 66 -3.276 -1.069 -13.292 436 HE1 PHE 66 HE2 PHE 66 -6.709 2.362 -14.086 437 HE2 PHE 66 HE1 PHE 66 -4.889 -1.349 -15.128 438 HZ PHE 66 HZ PHE 66 -6.608 0.370 -15.525 439 H GLY 67 H GLY 67 0.693 1.573 -11.741 440 HA2 GLY 67 HA1 GLY 67 2.192 2.445 -10.145 441 HA3 GLY 67 HA2 GLY 67 0.834 2.741 -9.066 442 H HIS 68 H HIS 68 1.839 1.717 -7.300 443 HA HIS 68 HA HIS 68 1.294 -1.082 -7.131 444 HB2 HIS 68 HB2 HIS 68 3.600 -0.841 -8.337 445 HB3 HIS 68 HB3 HIS 68 4.206 -0.408 -6.736 446 HD1 HIS 68 HD1 HIS 68 4.814 -3.034 -8.532 447 HD2 HIS 68 HD2 HIS 68 2.439 -2.785 -5.121 448 HE1 HIS 68 HE1 HIS 68 4.745 -5.365 -7.574 449 HE2 HIS 68 HE2 HIS 68 3.134 -5.226 -5.636 450 H VAL 69 H VAL 69 0.084 -0.422 -5.235 451 HA VAL 69 HA VAL 69 1.877 0.297 -3.027 452 HB VAL 69 HB VAL 69 -0.050 1.167 -1.830 453 HG11 VAL 69 2HG1 VAL 69 1.237 2.650 -3.235 454 HG12 VAL 69 1HG1 VAL 69 -0.467 3.106 -3.286 455 HG13 VAL 69 3HG1 VAL 69 0.250 2.222 -4.633 456 HG21 VAL 69 3HG2 VAL 69 -1.619 0.467 -4.315 457 HG22 VAL 69 2HG2 VAL 69 -2.223 1.430 -2.968 458 HG23 VAL 69 1HG2 VAL 69 -1.806 -0.267 -2.722 459 H ALA 70 H ALA 70 1.967 -0.882 -1.257 460 HA ALA 70 HA ALA 70 0.228 -3.201 -0.928 461 HB1 ALA 70 HB1 ALA 70 2.070 -3.994 -2.340 462 HB2 ALA 70 HB2 ALA 70 3.233 -3.419 -1.144 463 HB3 ALA 70 HB3 ALA 70 2.125 -4.730 -0.737 464 H TYR 71 H TYR 71 -0.282 -3.350 1.186 465 HA TYR 71 HA TYR 71 0.875 -1.493 3.006 466 HB2 TYR 71 HB2 TYR 71 -1.439 -1.979 3.269 467 HB3 TYR 71 HB3 TYR 71 -1.135 -3.718 3.338 468 HD1 TYR 71 HD2 TYR 71 -0.807 -0.545 5.185 469 HD2 TYR 71 HD1 TYR 71 -0.529 -4.789 5.372 470 HE1 TYR 71 HE2 TYR 71 -0.683 -0.419 7.636 471 HE2 TYR 71 HE1 TYR 71 -0.409 -4.670 7.831 472 HH TYR 71 HH TYR 71 -1.066 -1.774 9.570 473 H VAL 72 H VAL 72 2.514 -1.755 4.389 474 HA VAL 72 HA VAL 72 4.016 -4.241 4.228 475 HB VAL 72 HB VAL 72 4.767 -1.669 5.630 476 HG11 VAL 72 2HG1 VAL 72 6.009 -3.577 6.443 477 HG12 VAL 72 1HG1 VAL 72 7.061 -2.548 5.470 478 HG13 VAL 72 3HG1 VAL 72 6.423 -4.047 4.793 479 HG21 VAL 72 3HG2 VAL 72 6.116 -1.142 3.669 480 HG22 VAL 72 2HG2 VAL 72 4.408 -1.273 3.245 481 HG23 VAL 72 1HG2 VAL 72 5.519 -2.591 2.857 482 H GLU 73 H GLU 73 3.646 -5.779 5.659 483 HA GLU 73 HA GLU 73 2.341 -5.224 8.155 484 HB2 GLU 73 HB2 GLU 73 3.334 -7.732 6.826 485 HB3 GLU 73 HB3 GLU 73 2.727 -7.745 8.477 486 HG2 GLU 73 HG2 GLU 73 1.138 -6.695 6.150 487 HG3 GLU 73 HG3 GLU 73 1.074 -8.371 6.691 488 H SER 74 H SER 74 5.599 -5.958 7.062 489 HA SER 74 HA SER 74 6.894 -4.791 9.207 490 HB2 SER 74 HB2 SER 74 5.844 -6.714 10.485 491 HB3 SER 74 HB3 SER 74 6.865 -7.797 9.543 492 HG SER 74 HG SER 74 7.759 -7.183 11.599 493 H VAL 75 H VAL 75 9.227 -5.249 9.233 494 HA VAL 75 HA VAL 75 10.161 -6.439 6.708 495 HB VAL 75 HB VAL 75 11.632 -4.502 8.515 496 HG11 VAL 75 2HG1 VAL 75 13.134 -6.009 7.303 497 HG12 VAL 75 1HG1 VAL 75 13.264 -4.359 6.696 498 HG13 VAL 75 3HG1 VAL 75 12.361 -5.568 5.781 499 HG21 VAL 75 3HG2 VAL 75 11.283 -2.860 6.735 500 HG22 VAL 75 2HG2 VAL 75 9.751 -3.425 7.402 501 HG23 VAL 75 1HG2 VAL 75 10.313 -4.031 5.844 502 H ASN 76 H ASN 76 11.372 -8.239 6.816 503 HA ASN 76 HA ASN 76 11.546 -9.511 9.397 504 HB2 ASN 76 HB2 ASN 76 12.343 -10.530 6.663 505 HB3 ASN 76 HB3 ASN 76 12.252 -11.500 8.131 506 HD21 ASN 76 1HD2 ASN 76 10.465 -9.864 5.662 507 HD22 ASN 76 2HD2 ASN 76 8.914 -10.556 6.031 508 H SER 77 H SER 77 13.537 -10.689 10.030 509 HA SER 77 HA SER 77 15.717 -8.851 10.167 510 HB2 SER 77 HB2 SER 77 15.618 -11.761 11.008 511 HB3 SER 77 HB3 SER 77 16.784 -10.553 11.548 512 HG SER 77 HG SER 77 14.288 -9.643 11.965 513 H ASP 78 H ASP 78 14.803 -11.094 7.857 514 HA ASP 78 HA ASP 78 17.431 -11.859 6.959 515 HB2 ASP 78 HB2 ASP 78 14.695 -12.143 5.695 516 HB3 ASP 78 HB3 ASP 78 16.176 -12.763 4.972 517 H GLY 79 H GLY 79 15.691 -9.033 6.784 518 HA2 GLY 79 HA1 GLY 79 16.288 -7.095 5.596 519 HA3 GLY 79 HA2 GLY 79 17.232 -8.090 4.488 520 H SER 80 H SER 80 14.564 -9.792 4.696 521 HA SER 80 HA SER 80 13.381 -8.604 2.322 522 HB2 SER 80 HB2 SER 80 12.712 -11.203 3.726 523 HB3 SER 80 HB3 SER 80 12.181 -10.708 2.117 524 HG SER 80 HG SER 80 14.794 -10.498 2.113 525 H VAL 81 H VAL 81 11.236 -7.944 2.206 526 HA VAL 81 HA VAL 81 10.085 -7.232 4.820 527 HB VAL 81 HB VAL 81 9.645 -5.960 2.112 528 HG11 VAL 81 2HG1 VAL 81 7.710 -5.717 3.590 529 HG12 VAL 81 1HG1 VAL 81 8.528 -4.174 3.340 530 HG13 VAL 81 3HG1 VAL 81 8.754 -5.057 4.849 531 HG21 VAL 81 3HG2 VAL 81 11.301 -5.074 4.472 532 HG22 VAL 81 2HG2 VAL 81 10.969 -4.094 3.041 533 HG23 VAL 81 1HG2 VAL 81 11.900 -5.585 2.893 534 H THR 82 H THR 82 8.087 -7.867 5.384 535 HA THR 82 HA THR 82 6.596 -9.565 3.521 536 HB THR 82 HB THR 82 6.275 -9.131 6.500 537 HG1 THR 82 HG1 THR 82 6.828 -11.643 5.876 538 HG21 THR 82 3HG2 THR 82 4.730 -11.059 6.406 539 HG22 THR 82 1HG2 THR 82 4.824 -11.025 4.645 540 HG23 THR 82 2HG2 THR 82 4.119 -9.664 5.517 541 H ILE 83 H ILE 83 4.948 -8.746 2.443 542 HA ILE 83 HA ILE 83 3.515 -6.427 3.571 543 HB ILE 83 HB ILE 83 3.092 -5.665 1.259 544 HG12 ILE 83 2HG1 ILE 83 5.189 -7.671 0.416 545 HG13 ILE 83 3HG1 ILE 83 3.461 -7.979 0.270 546 HG21 ILE 83 2HG2 ILE 83 5.326 -4.758 0.838 547 HG22 ILE 83 1HG2 ILE 83 6.011 -5.931 1.961 548 HG23 ILE 83 3HG2 ILE 83 4.912 -4.687 2.552 549 HD11 ILE 83 3HD1 ILE 83 4.352 -7.246 -1.833 550 HD12 ILE 83 2HD1 ILE 83 5.020 -5.797 -1.082 551 HD13 ILE 83 1HD1 ILE 83 3.272 -6.008 -1.188 552 H SER 84 H SER 84 1.313 -6.193 2.777 553 HA SER 84 HA SER 84 0.144 -8.652 1.691 554 HB2 SER 84 HB2 SER 84 -0.280 -8.425 4.178 555 HB3 SER 84 HB3 SER 84 -1.193 -6.961 3.815 556 HG SER 84 HG SER 84 -2.688 -8.547 3.826 557 H GLU 85 H GLU 85 -0.053 -7.851 -0.332 558 HA GLU 85 HA GLU 85 -1.652 -5.414 -0.686 559 HB2 GLU 85 HB2 GLU 85 -0.781 -5.514 -3.082 560 HB3 GLU 85 HB3 GLU 85 0.389 -5.101 -1.839 561 HG2 GLU 85 HG2 GLU 85 1.384 -7.235 -1.926 562 HG3 GLU 85 HG3 GLU 85 0.048 -7.899 -2.861 563 H MET 86 H MET 86 -3.690 -6.325 -0.474 564 HA MET 86 HA MET 86 -4.491 -8.642 -1.890 565 HB2 MET 86 HB2 MET 86 -5.665 -7.922 0.119 566 HB3 MET 86 HB3 MET 86 -6.141 -6.426 -0.672 567 HG2 MET 86 HG2 MET 86 -7.539 -7.611 -2.206 568 HG3 MET 86 HG3 MET 86 -6.950 -9.161 -1.612 569 HE1 MET 86 HE1 MET 86 -7.572 -10.206 0.699 570 HE2 MET 86 HE2 MET 86 -6.881 -8.798 1.504 571 HE3 MET 86 HE3 MET 86 -8.489 -9.366 1.951 572 H ASN 87 H ASN 87 -5.041 -8.880 -3.918 573 HA ASN 87 HA ASN 87 -5.977 -8.530 -5.952 574 HB2 ASN 87 HB2 ASN 87 -7.694 -7.158 -4.832 575 HB3 ASN 87 HB3 ASN 87 -6.649 -5.751 -4.960 576 HD21 ASN 87 1HD2 ASN 87 -9.328 -6.291 -5.986 577 HD22 ASN 87 2HD2 ASN 87 -9.252 -6.021 -7.699 578 H TYR 88 H TYR 88 -4.789 -5.250 -5.300 579 HA TYR 88 HA TYR 88 -3.550 -3.863 -6.602 580 HB2 TYR 88 HB2 TYR 88 -1.726 -4.898 -5.485 581 HB3 TYR 88 HB3 TYR 88 -1.812 -6.325 -6.510 582 HD1 TYR 88 HD2 TYR 88 -1.625 -2.648 -7.208 583 HD2 TYR 88 HD1 TYR 88 0.056 -6.500 -7.844 584 HE1 TYR 88 HE2 TYR 88 0.015 -1.673 -8.756 585 HE2 TYR 88 HE1 TYR 88 1.699 -5.537 -9.399 586 HH TYR 88 HH TYR 88 2.006 -2.067 -9.831 587 H SER 89 H SER 89 -5.129 -3.755 -8.270 588 HA SER 89 HA SER 89 -5.697 -3.574 -10.457 589 HB2 SER 89 HB2 SER 89 -2.749 -4.106 -10.879 590 HB3 SER 89 HB3 SER 89 -3.844 -3.354 -12.040 591 HG SER 89 HG SER 89 -4.158 -1.664 -10.525 592 H GLY 90 H GLY 90 -5.874 -6.284 -9.290 593 HA2 GLY 90 HA1 GLY 90 -5.870 -7.757 -11.831 594 HA3 GLY 90 HA2 GLY 90 -5.071 -8.469 -10.437 595 H GLY 91 H GLY 91 -6.229 -9.778 -9.215 596 HA2 GLY 91 HA1 GLY 91 -9.112 -9.916 -9.744 597 HA3 GLY 91 HA2 GLY 91 -8.126 -11.201 -9.065 598 HA PRO 92 HA PRO 92 -10.153 -8.021 -5.850 599 HB2 PRO 92 HB2 PRO 92 -12.519 -9.806 -6.213 600 HB3 PRO 92 HB3 PRO 92 -12.458 -8.086 -5.805 601 HG2 PRO 92 HG2 PRO 92 -13.093 -8.857 -8.262 602 HG3 PRO 92 HG3 PRO 92 -12.044 -7.448 -8.004 603 HD2 PRO 92 HD2 PRO 92 -11.331 -10.215 -8.874 604 HD3 PRO 92 HD3 PRO 92 -10.635 -8.661 -9.375 605 H PHE 93 H PHE 93 -9.515 -8.581 -3.938 606 HA PHE 93 HA PHE 93 -9.149 -9.669 -2.013 607 HB2 PHE 93 HB2 PHE 93 -11.037 -11.733 -3.126 608 HB3 PHE 93 HB3 PHE 93 -10.340 -11.785 -1.508 609 HD1 PHE 93 HD1 PHE 93 -10.957 -10.080 0.157 610 HD2 PHE 93 HD2 PHE 93 -12.842 -10.274 -3.657 611 HE1 PHE 93 HE1 PHE 93 -12.793 -8.672 0.995 612 HE2 PHE 93 HE2 PHE 93 -14.680 -8.868 -2.824 613 HZ PHE 93 HZ PHE 93 -14.658 -8.063 -0.497 614 H SER 94 H SER 94 -7.894 -10.659 -4.866 615 HA SER 94 HA SER 94 -6.503 -12.974 -3.942 616 HB2 SER 94 HB2 SER 94 -5.731 -10.971 -6.084 617 HB3 SER 94 HB3 SER 94 -4.857 -12.474 -5.750 618 HG SER 94 HG SER 94 -6.372 -12.685 -7.478 619 H VAL 95 H VAL 95 -5.939 -12.340 -1.800 620 HA VAL 95 HA VAL 95 -4.396 -10.065 -1.259 621 HB VAL 95 HB VAL 95 -5.540 -11.072 0.568 622 HG11 VAL 95 2HG1 VAL 95 -5.621 -13.365 -0.208 623 HG12 VAL 95 1HG1 VAL 95 -5.005 -13.295 1.443 624 HG13 VAL 95 3HG1 VAL 95 -3.894 -13.550 0.097 625 HG21 VAL 95 3HG2 VAL 95 -3.475 -9.970 1.168 626 HG22 VAL 95 2HG2 VAL 95 -2.573 -11.463 0.912 627 HG23 VAL 95 1HG2 VAL 95 -3.748 -11.355 2.224 628 H SER 96 H SER 96 -2.652 -9.795 -2.530 629 HA SER 96 HA SER 96 -1.030 -11.938 -3.430 630 HB2 SER 96 HB2 SER 96 -1.328 -9.989 -4.825 631 HB3 SER 96 HB3 SER 96 -0.674 -8.939 -3.572 632 HG SER 96 HG SER 96 1.066 -9.234 -4.736 633 H SER 97 H SER 97 0.061 -13.019 -1.996 634 HA SER 97 HA SER 97 1.429 -11.689 0.188 635 HB2 SER 97 HB2 SER 97 1.471 -14.615 -0.583 636 HB3 SER 97 HB3 SER 97 1.967 -13.920 0.963 637 HG SER 97 HG SER 97 -0.550 -13.171 0.273 638 H ARG 98 H ARG 98 3.169 -10.580 -0.413 639 HA ARG 98 HA ARG 98 5.139 -11.912 -2.149 640 HB2 ARG 98 HB2 ARG 98 4.342 -9.011 -2.018 641 HB3 ARG 98 HB3 ARG 98 5.854 -9.534 -2.743 642 HG2 ARG 98 HG2 ARG 98 4.612 -10.895 -4.344 643 HG3 ARG 98 HG3 ARG 98 3.097 -10.349 -3.623 644 HD2 ARG 98 HD2 ARG 98 3.603 -9.066 -5.623 645 HD3 ARG 98 HD3 ARG 98 3.653 -8.039 -4.191 646 HE ARG 98 HE ARG 98 6.104 -9.119 -5.434 647 HH11 ARG 98 2HH1 ARG 98 4.246 -6.459 -4.100 648 HH12 ARG 98 1HH1 ARG 98 5.545 -5.317 -4.275 649 HH21 ARG 98 2HH2 ARG 98 7.793 -7.616 -5.684 650 HH22 ARG 98 1HH2 ARG 98 7.554 -5.959 -5.201 651 H THR 99 H THR 99 7.360 -11.184 -1.848 652 HA THR 99 HA THR 99 7.934 -10.116 0.829 653 HB THR 99 HB THR 99 9.407 -12.469 -0.383 654 HG1 THR 99 HG1 THR 99 7.088 -12.328 1.057 655 HG21 THR 99 3HG2 THR 99 9.524 -11.193 2.355 656 HG22 THR 99 1HG2 THR 99 10.772 -11.104 1.112 657 HG23 THR 99 2HG2 THR 99 10.392 -12.650 1.870 658 H ILE 100 H ILE 100 9.085 -8.326 0.563 659 HA ILE 100 HA ILE 100 10.462 -7.850 -1.956 660 HB ILE 100 HB ILE 100 9.944 -6.027 0.400 661 HG12 ILE 100 2HG1 ILE 100 8.663 -4.757 -1.427 662 HG13 ILE 100 3HG1 ILE 100 8.760 -6.257 -2.355 663 HG21 ILE 100 2HG2 ILE 100 12.073 -5.457 -0.633 664 HG22 ILE 100 1HG2 ILE 100 10.860 -4.217 -0.949 665 HG23 ILE 100 3HG2 ILE 100 11.291 -5.371 -2.211 666 HD11 ILE 100 3HD1 ILE 100 7.604 -7.426 -0.549 667 HD12 ILE 100 2HD1 ILE 100 6.652 -6.096 -1.212 668 HD13 ILE 100 1HD1 ILE 100 7.480 -5.905 0.334 669 H SER 101 H SER 101 12.492 -8.632 -2.100 670 HA SER 101 HA SER 101 14.287 -8.724 0.082 671 HB2 SER 101 HB2 SER 101 15.910 -8.810 -2.080 672 HB3 SER 101 HB3 SER 101 14.997 -10.201 -1.493 673 HG SER 101 HG SER 101 14.270 -8.404 -3.581 674 H ALA 102 H ALA 102 16.194 -7.384 0.357 675 HA ALA 102 HA ALA 102 15.675 -4.700 0.568 676 HB1 ALA 102 HB1 ALA 102 17.502 -5.909 1.699 677 HB2 ALA 102 HB2 ALA 102 18.412 -5.901 0.188 678 HB3 ALA 102 HB3 ALA 102 18.024 -4.379 0.992 679 H SER 103 H SER 103 17.025 -6.373 -2.203 680 HA SER 103 HA SER 103 18.009 -4.265 -3.701 681 HB2 SER 103 HB2 SER 103 16.515 -6.644 -4.823 682 HB3 SER 103 HB3 SER 103 17.794 -5.713 -5.605 683 HG SER 103 HG SER 103 18.553 -7.700 -4.706 684 H GLU 104 H GLU 104 14.734 -5.683 -3.902 685 HA GLU 104 HA GLU 104 13.725 -3.598 -5.559 686 HB2 GLU 104 HB2 GLU 104 12.327 -5.731 -3.941 687 HB3 GLU 104 HB3 GLU 104 11.485 -4.606 -4.994 688 HG2 GLU 104 HG2 GLU 104 11.686 -6.421 -6.358 689 HG3 GLU 104 HG3 GLU 104 13.122 -5.507 -6.805 690 H ALA 105 H ALA 105 13.911 -4.120 -2.119 691 HA ALA 105 HA ALA 105 11.972 -2.332 -1.215 692 HB1 ALA 105 HB1 ALA 105 13.140 -3.855 0.280 693 HB2 ALA 105 HB2 ALA 105 14.646 -2.969 0.036 694 HB3 ALA 105 HB3 ALA 105 13.290 -2.194 0.853 695 H GLY 106 H GLY 106 15.199 -1.798 -2.446 696 HA2 GLY 106 HA1 GLY 106 15.578 0.868 -1.693 697 HA3 GLY 106 HA2 GLY 106 16.294 0.105 -3.100 698 H ASN 107 H ASN 107 13.594 -0.411 -4.329 699 HA ASN 107 HA ASN 107 13.358 2.307 -5.415 700 HB2 ASN 107 HB2 ASN 107 12.426 1.354 -7.421 701 HB3 ASN 107 HB3 ASN 107 13.892 0.476 -7.017 702 HD21 ASN 107 1HD2 ASN 107 10.374 0.337 -6.995 703 HD22 ASN 107 2HD2 ASN 107 10.264 -1.387 -6.978 704 H TYR 108 H TYR 108 11.879 0.811 -3.036 705 HA TYR 108 HA TYR 108 9.155 1.460 -3.929 706 HB2 TYR 108 HB2 TYR 108 10.188 -0.355 -1.777 707 HB3 TYR 108 HB3 TYR 108 8.518 0.194 -1.788 708 HD1 TYR 108 HD1 TYR 108 7.711 0.068 -4.548 709 HD2 TYR 108 HD2 TYR 108 10.241 -2.575 -2.379 710 HE1 TYR 108 HE1 TYR 108 7.069 -1.774 -6.051 711 HE2 TYR 108 HE2 TYR 108 9.619 -4.415 -3.878 712 HH TYR 108 HH TYR 108 8.034 -3.969 -6.810 713 H ASN 109 H ASN 109 8.254 3.225 -3.278 714 HA ASN 109 HA ASN 109 9.389 4.849 -1.154 715 HB2 ASN 109 HB2 ASN 109 7.011 5.295 -2.987 716 HB3 ASN 109 HB3 ASN 109 7.606 6.478 -1.826 717 HD21 ASN 109 1HD2 ASN 109 7.361 6.478 -4.778 718 HD22 ASN 109 2HD2 ASN 109 8.941 6.900 -5.360 719 H TYR 110 H TYR 110 7.728 5.872 0.386 720 HA TYR 110 HA TYR 110 5.351 4.335 0.891 721 HB2 TYR 110 HB2 TYR 110 5.831 3.697 3.160 722 HB3 TYR 110 HB3 TYR 110 7.091 3.051 2.127 723 HD1 TYR 110 HD2 TYR 110 8.316 6.096 2.082 724 HD2 TYR 110 HD1 TYR 110 7.369 3.183 5.025 725 HE1 TYR 110 HE2 TYR 110 9.982 7.084 3.583 726 HE2 TYR 110 HE1 TYR 110 9.044 4.159 6.532 727 HH TYR 110 HH TYR 110 10.973 5.545 6.503 728 H ILE 111 H ILE 111 3.904 5.468 2.458 729 HA ILE 111 HA ILE 111 4.680 8.297 2.570 730 HB ILE 111 HB ILE 111 2.317 8.904 2.310 731 HG12 ILE 111 2HG1 ILE 111 1.895 5.941 1.815 732 HG13 ILE 111 3HG1 ILE 111 1.264 6.855 3.179 733 HG21 ILE 111 2HG2 ILE 111 3.409 7.110 0.141 734 HG22 ILE 111 1HG2 ILE 111 3.797 8.815 0.377 735 HG23 ILE 111 3HG2 ILE 111 2.160 8.339 -0.076 736 HD11 ILE 111 3HD1 ILE 111 -0.058 8.220 1.609 737 HD12 ILE 111 2HD1 ILE 111 -0.471 6.505 1.557 738 HD13 ILE 111 1HD1 ILE 111 0.528 7.208 0.282 739 H HIS 112 H HIS 112 4.960 9.084 4.463 740 HA HIS 112 HA HIS 112 3.948 7.734 6.840 741 HB2 HIS 112 HB2 HIS 112 6.114 9.667 6.223 742 HB3 HIS 112 HB3 HIS 112 5.364 9.824 7.803 743 HD1 HIS 112 HD1 HIS 112 5.969 8.169 9.561 744 HD2 HIS 112 HD2 HIS 112 7.547 7.184 5.822 745 HE1 HIS 112 HE1 HIS 112 7.642 6.348 9.993 746 HE2 HIS 112 HE2 HIS 112 8.733 5.923 7.766 747 H ILE 113 H ILE 113 2.250 8.463 7.983 748 HA ILE 113 HA ILE 113 0.866 10.877 7.303 749 HB ILE 113 HB ILE 113 0.581 8.877 9.555 750 HG12 ILE 113 2HG1 ILE 113 -0.221 8.253 7.306 751 HG13 ILE 113 3HG1 ILE 113 -1.538 8.371 8.472 752 HG21 ILE 113 2HG2 ILE 113 -1.431 10.070 10.296 753 HG22 ILE 113 1HG2 ILE 113 -1.069 11.374 9.165 754 HG23 ILE 113 3HG2 ILE 113 0.024 11.043 10.509 755 HD11 ILE 113 3HD1 ILE 113 -2.184 9.348 6.371 756 HD12 ILE 113 2HD1 ILE 113 -0.791 10.428 6.413 757 HD13 ILE 113 1HD1 ILE 113 -2.075 10.598 7.610 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 -26.777 4.443 3.069 2 H2 GLY 1 H2 GLY 1 -27.035 2.989 3.899 3 H3 GLY 1 H3 GLY 1 -26.924 2.990 2.206 4 HA2 GLY 1 HA2 GLY 1 -24.884 2.162 3.210 5 HA3 GLY 1 HA1 GLY 1 -24.620 3.646 2.304 6 H SER 2 H SER 2 -24.379 2.098 5.319 7 HA SER 2 HA SER 2 -23.242 4.512 6.505 8 HB2 SER 2 HB2 SER 2 -25.267 2.791 7.962 9 HB3 SER 2 HB3 SER 2 -24.498 4.258 8.566 10 HG SER 2 HG SER 2 -26.445 3.972 6.536 11 H SER 3 H SER 3 -22.429 3.699 8.875 12 HA SER 3 HA SER 3 -20.583 1.577 8.293 13 HB2 SER 3 HB2 SER 3 -19.819 2.038 10.678 14 HB3 SER 3 HB3 SER 3 -19.694 3.387 9.549 15 HG SER 3 HG SER 3 -22.103 3.221 10.901 16 H ILE 4 H ILE 4 -21.943 -0.209 8.006 17 HA ILE 4 HA ILE 4 -23.797 -1.053 9.999 18 HB ILE 4 HB ILE 4 -22.579 -2.610 7.712 19 HG12 ILE 4 2HG1 ILE 4 -23.837 -0.690 6.920 20 HG13 ILE 4 3HG1 ILE 4 -24.748 -2.162 6.598 21 HG21 ILE 4 2HG2 ILE 4 -24.470 -4.149 7.998 22 HG22 ILE 4 1HG2 ILE 4 -24.976 -3.253 9.430 23 HG23 ILE 4 3HG2 ILE 4 -23.435 -4.111 9.425 24 HD11 ILE 4 3HD1 ILE 4 -26.198 -0.386 7.389 25 HD12 ILE 4 2HD1 ILE 4 -25.240 -0.242 8.864 26 HD13 ILE 4 1HD1 ILE 4 -26.152 -1.718 8.544 27 H SER 5 H SER 5 -20.841 -2.716 8.853 28 HA SER 5 HA SER 5 -20.050 -3.117 11.628 29 HB2 SER 5 HB2 SER 5 -21.519 -5.076 10.883 30 HB3 SER 5 HB3 SER 5 -20.209 -5.502 9.781 31 HG SER 5 HG SER 5 -19.701 -5.060 12.516 32 H HIS 6 H HIS 6 -19.373 -3.551 8.204 33 HA HIS 6 HA HIS 6 -16.637 -2.692 8.727 34 HB2 HIS 6 HB2 HIS 6 -16.572 -5.176 8.600 35 HB3 HIS 6 HB3 HIS 6 -17.269 -5.089 6.985 36 HD1 HIS 6 HD1 HIS 6 -15.531 -5.433 5.267 37 HD2 HIS 6 HD2 HIS 6 -14.056 -3.383 8.578 38 HE1 HIS 6 HE1 HIS 6 -13.118 -4.943 4.750 39 HE2 HIS 6 HE2 HIS 6 -12.302 -3.538 6.680 40 H SER 7 H SER 7 -17.554 -0.724 7.904 41 HA SER 7 HA SER 7 -17.922 -0.727 4.990 42 HB2 SER 7 HB2 SER 7 -18.438 1.501 6.980 43 HB3 SER 7 HB3 SER 7 -18.848 1.516 5.266 44 HG SER 7 HG SER 7 -20.690 0.938 6.305 45 H GLY 8 H GLY 8 -16.693 1.840 7.085 46 HA2 GLY 8 HA1 GLY 8 -14.652 2.851 7.276 47 HA3 GLY 8 HA2 GLY 8 -13.948 1.381 6.630 48 H ASN 9 H ASN 9 -13.549 1.217 4.425 49 HA ASN 9 HA ASN 9 -12.715 3.739 3.352 50 HB2 ASN 9 HB2 ASN 9 -11.351 1.643 3.265 51 HB3 ASN 9 HB3 ASN 9 -12.495 0.998 2.094 52 HD21 ASN 9 1HD2 ASN 9 -10.699 0.807 0.673 53 HD22 ASN 9 2HD2 ASN 9 -10.115 2.182 -0.198 54 H LEU 10 H LEU 10 -13.062 4.350 1.089 55 HA LEU 10 HA LEU 10 -15.925 4.140 0.468 56 HB2 LEU 10 HB2 LEU 10 -13.875 6.132 -0.466 57 HB3 LEU 10 HB3 LEU 10 -15.602 6.226 -0.749 58 HG LEU 10 HG LEU 10 -14.227 6.470 1.932 59 HD11 LEU 10 2HD1 LEU 10 -15.640 8.504 0.217 60 HD12 LEU 10 1HD1 LEU 10 -13.906 8.426 0.538 61 HD13 LEU 10 3HD1 LEU 10 -15.032 8.783 1.848 62 HD21 LEU 10 3HD2 LEU 10 -16.442 7.024 2.798 63 HD22 LEU 10 2HD2 LEU 10 -16.403 5.387 2.144 64 HD23 LEU 10 1HD2 LEU 10 -17.149 6.690 1.218 65 H TYR 11 H TYR 11 -13.087 2.804 -0.532 66 HA TYR 11 HA TYR 11 -13.315 3.193 -3.363 67 HB2 TYR 11 HB2 TYR 11 -11.245 2.544 -1.744 68 HB3 TYR 11 HB3 TYR 11 -11.666 0.951 -2.363 69 HD1 TYR 11 HD2 TYR 11 -10.868 4.410 -3.480 70 HD2 TYR 11 HD1 TYR 11 -10.870 0.273 -4.461 71 HE1 TYR 11 HE2 TYR 11 -9.639 4.908 -5.551 72 HE2 TYR 11 HE1 TYR 11 -9.640 0.761 -6.533 73 HH TYR 11 HH TYR 11 -8.275 3.879 -7.179 74 H THR 12 H THR 12 -12.814 0.670 -4.410 75 HA THR 12 HA THR 12 -15.487 -0.185 -4.741 76 HB THR 12 HB THR 12 -13.068 -1.740 -5.643 77 HG1 THR 12 HG1 THR 12 -14.148 0.709 -6.633 78 HG21 THR 12 3HG2 THR 12 -15.260 -2.759 -6.053 79 HG22 THR 12 1HG2 THR 12 -14.492 -2.267 -7.563 80 HG23 THR 12 2HG2 THR 12 -15.791 -1.292 -6.876 81 H ALA 13 H ALA 13 -13.129 -2.723 -4.399 82 HA ALA 13 HA ALA 13 -13.764 -3.615 -1.819 83 HB1 ALA 13 HB1 ALA 13 -15.981 -4.040 -2.760 84 HB2 ALA 13 HB2 ALA 13 -15.259 -5.014 -4.041 85 HB3 ALA 13 HB3 ALA 13 -15.166 -5.554 -2.365 86 H GLY 14 H GLY 14 -12.065 -4.815 -1.269 87 HA2 GLY 14 HA1 GLY 14 -10.253 -6.214 -1.420 88 HA3 GLY 14 HA2 GLY 14 -11.058 -6.956 -2.794 89 H GLN 15 H GLN 15 -10.377 -3.579 -2.872 90 HA GLN 15 HA GLN 15 -8.646 -3.947 -5.163 91 HB2 GLN 15 HB2 GLN 15 -9.781 -1.528 -3.768 92 HB3 GLN 15 HB3 GLN 15 -8.617 -1.392 -5.078 93 HG2 GLN 15 HG2 GLN 15 -11.120 -2.971 -5.463 94 HG3 GLN 15 HG3 GLN 15 -11.153 -1.212 -5.570 95 HE21 GLN 15 1HE2 GLN 15 -10.009 -4.153 -7.013 96 HE22 GLN 15 2HE2 GLN 15 -9.527 -3.452 -8.519 97 H CYS 16 H CYS 16 -6.563 -2.887 -5.332 98 HA CYS 16 HA CYS 16 -4.757 -3.469 -3.302 99 HB2 CYS 16 HB2 CYS 16 -3.270 -1.791 -4.577 100 HB3 CYS 16 HB3 CYS 16 -3.857 -3.203 -5.449 101 HG CYS 16 HG CYS 16 -4.880 -1.885 -7.384 102 H THR 17 H THR 17 -6.230 -0.351 -4.156 103 HA THR 17 HA THR 17 -4.989 0.936 -1.873 104 HB THR 17 HB THR 17 -6.265 2.948 -2.688 105 HG1 THR 17 HG1 THR 17 -7.135 2.694 -4.854 106 HG21 THR 17 3HG2 THR 17 -4.499 1.570 -4.711 107 HG22 THR 17 1HG2 THR 17 -3.941 2.537 -3.345 108 HG23 THR 17 2HG2 THR 17 -4.851 3.297 -4.650 109 H TRP 18 H TRP 18 -7.502 -1.071 -2.118 110 HA TRP 18 HA TRP 18 -9.291 0.367 -0.322 111 HB2 TRP 18 HB2 TRP 18 -10.198 -0.929 -2.248 112 HB3 TRP 18 HB3 TRP 18 -9.564 -2.398 -1.521 113 HD1 TRP 18 HD1 TRP 18 -12.344 0.211 -1.077 114 HE1 TRP 18 HE1 TRP 18 -14.149 -0.797 0.454 115 HE3 TRP 18 HE3 TRP 18 -9.931 -4.076 0.351 116 HZ2 TRP 18 HZ2 TRP 18 -14.502 -3.076 2.067 117 HZ3 TRP 18 HZ3 TRP 18 -11.080 -5.607 1.892 118 HH2 TRP 18 HH2 TRP 18 -13.316 -5.118 2.733 119 H TYR 19 H TYR 19 -7.524 -2.723 -0.468 120 HA TYR 19 HA TYR 19 -8.002 -3.499 2.194 121 HB2 TYR 19 HB2 TYR 19 -7.246 -5.066 0.485 122 HB3 TYR 19 HB3 TYR 19 -5.728 -4.194 0.323 123 HD1 TYR 19 HD2 TYR 19 -7.747 -5.990 2.911 124 HD2 TYR 19 HD1 TYR 19 -3.882 -4.972 1.458 125 HE1 TYR 19 HE2 TYR 19 -6.727 -7.456 4.605 126 HE2 TYR 19 HE1 TYR 19 -2.854 -6.430 3.143 127 HH TYR 19 HH TYR 19 -3.340 -7.427 5.265 128 H VAL 20 H VAL 20 -5.427 -1.618 0.705 129 HA VAL 20 HA VAL 20 -3.714 -1.372 2.882 130 HB VAL 20 HB VAL 20 -4.287 0.549 0.627 131 HG11 VAL 20 2HG1 VAL 20 -2.092 0.691 2.692 132 HG12 VAL 20 1HG1 VAL 20 -3.427 1.830 2.506 133 HG13 VAL 20 3HG1 VAL 20 -2.202 1.692 1.244 134 HG21 VAL 20 3HG2 VAL 20 -3.297 -1.592 -0.009 135 HG22 VAL 20 2HG2 VAL 20 -1.992 -1.338 1.149 136 HG23 VAL 20 1HG2 VAL 20 -2.156 -0.269 -0.244 137 H TYR 21 H TYR 21 -6.419 0.755 1.927 138 HA TYR 21 HA TYR 21 -6.045 2.600 4.029 139 HB2 TYR 21 HB2 TYR 21 -7.367 2.996 1.905 140 HB3 TYR 21 HB3 TYR 21 -8.658 2.040 2.624 141 HD1 TYR 21 HD2 TYR 21 -6.540 5.020 3.309 142 HD2 TYR 21 HD1 TYR 21 -10.276 3.090 3.909 143 HE1 TYR 21 HE2 TYR 21 -7.386 7.033 4.430 144 HE2 TYR 21 HE1 TYR 21 -11.144 5.092 5.031 145 HH TYR 21 HH TYR 21 -10.203 7.075 6.271 146 H ASP 22 H ASP 22 -7.822 -0.403 3.781 147 HA ASP 22 HA ASP 22 -9.298 -0.124 6.193 148 HB2 ASP 22 HB2 ASP 22 -9.877 -1.755 4.421 149 HB3 ASP 22 HB3 ASP 22 -8.413 -2.661 4.799 150 H LYS 23 H LYS 23 -6.219 -1.698 5.416 151 HA LYS 23 HA LYS 23 -5.770 -2.736 8.008 152 HB2 LYS 23 HB2 LYS 23 -3.905 -2.237 5.694 153 HB3 LYS 23 HB3 LYS 23 -3.398 -3.018 7.186 154 HG2 LYS 23 HG2 LYS 23 -5.613 -4.021 5.415 155 HG3 LYS 23 HG3 LYS 23 -3.943 -4.589 5.354 156 HD2 LYS 23 HD2 LYS 23 -5.689 -4.702 7.812 157 HD3 LYS 23 HD3 LYS 23 -5.475 -6.042 6.684 158 HE2 LYS 23 HE2 LYS 23 -3.055 -6.011 7.137 159 HE3 LYS 23 HE3 LYS 23 -3.301 -4.703 8.293 160 HZ1 LYS 23 HZ1 LYS 23 -4.569 -7.378 8.529 161 HZ2 LYS 23 HZ2 LYS 23 -4.564 -6.138 9.689 162 HZ3 LYS 23 HZ3 LYS 23 -3.125 -6.945 9.302 163 H VAL 24 H VAL 24 -5.097 0.388 6.598 164 HA VAL 24 HA VAL 24 -3.267 1.092 8.736 165 HB VAL 24 HB VAL 24 -3.128 3.303 7.698 166 HG11 VAL 24 2HG1 VAL 24 -2.111 2.619 5.580 167 HG12 VAL 24 1HG1 VAL 24 -2.887 1.042 5.719 168 HG13 VAL 24 3HG1 VAL 24 -1.669 1.533 6.897 169 HG21 VAL 24 3HG2 VAL 24 -5.137 2.249 5.713 170 HG22 VAL 24 2HG2 VAL 24 -4.290 3.793 5.613 171 HG23 VAL 24 1HG2 VAL 24 -5.436 3.498 6.921 172 H GLY 25 H GLY 25 -6.474 0.717 8.694 173 HA2 GLY 25 HA1 GLY 25 -7.884 1.155 10.493 174 HA3 GLY 25 HA2 GLY 25 -6.706 2.307 11.101 175 H GLY 26 H GLY 26 -6.979 3.260 8.051 176 HA2 GLY 26 HA1 GLY 26 -8.504 4.601 6.869 177 HA3 GLY 26 HA2 GLY 26 -9.545 4.623 8.283 178 H GLU 27 H GLU 27 -6.368 5.288 9.165 179 HA GLU 27 HA GLU 27 -6.957 8.066 9.629 180 HB2 GLU 27 HB2 GLU 27 -5.590 6.819 11.232 181 HB3 GLU 27 HB3 GLU 27 -4.387 6.507 9.993 182 HG2 GLU 27 HG2 GLU 27 -3.668 8.265 11.493 183 HG3 GLU 27 HG3 GLU 27 -3.899 8.889 9.860 184 H ILE 28 H ILE 28 -4.826 6.238 7.515 185 HA ILE 28 HA ILE 28 -4.140 8.719 6.114 186 HB ILE 28 HB ILE 28 -2.047 8.078 6.597 187 HG12 ILE 28 2HG1 ILE 28 -2.568 7.298 4.096 188 HG13 ILE 28 3HG1 ILE 28 -0.977 7.092 4.829 189 HG21 ILE 28 2HG2 ILE 28 -1.380 5.824 7.326 190 HG22 ILE 28 1HG2 ILE 28 -3.016 5.252 6.992 191 HG23 ILE 28 3HG2 ILE 28 -2.744 6.465 8.243 192 HD11 ILE 28 3HD1 ILE 28 -1.656 5.095 3.629 193 HD12 ILE 28 2HD1 ILE 28 -3.127 4.986 4.602 194 HD13 ILE 28 1HD1 ILE 28 -1.547 4.764 5.358 195 H GLY 29 H GLY 29 -4.919 8.961 4.106 196 HA2 GLY 29 HA1 GLY 29 -4.456 7.835 1.898 197 HA3 GLY 29 HA2 GLY 29 -5.344 6.481 2.563 198 H SER 30 H SER 30 -6.834 6.417 1.025 199 HA SER 30 HA SER 30 -8.734 6.748 -0.087 200 HB2 SER 30 HB2 SER 30 -10.545 8.023 0.877 201 HB3 SER 30 HB3 SER 30 -9.701 7.156 2.154 202 HG SER 30 HG SER 30 -8.522 9.229 2.460 203 H THR 31 H THR 31 -7.400 9.942 0.768 204 HA THR 31 HA THR 31 -8.405 11.111 -1.659 205 HB THR 31 HB THR 31 -8.179 12.399 0.453 206 HG1 THR 31 HG1 THR 31 -6.517 13.944 -0.986 207 HG21 THR 31 3HG2 THR 31 -5.977 13.194 1.161 208 HG22 THR 31 1HG2 THR 31 -5.211 12.209 -0.086 209 HG23 THR 31 2HG2 THR 31 -6.068 11.434 1.247 210 H TRP 32 H TRP 32 -5.963 9.010 -1.194 211 HA TRP 32 HA TRP 32 -3.837 10.322 -2.581 212 HB2 TRP 32 HB2 TRP 32 -2.695 8.123 -2.457 213 HB3 TRP 32 HB3 TRP 32 -3.272 8.699 -0.896 214 HD1 TRP 32 HD1 TRP 32 -5.546 7.022 -3.432 215 HE1 TRP 32 HE1 TRP 32 -6.410 4.844 -2.467 216 HE3 TRP 32 HE3 TRP 32 -2.721 6.875 0.807 217 HZ2 TRP 32 HZ2 TRP 32 -5.962 3.214 -0.191 218 HZ3 TRP 32 HZ3 TRP 32 -2.997 4.957 2.336 219 HH2 TRP 32 HH2 TRP 32 -4.584 3.166 1.843 220 H GLY 33 H GLY 33 -6.667 8.894 -3.664 221 HA2 GLY 33 HA1 GLY 33 -7.347 8.586 -5.883 222 HA3 GLY 33 HA2 GLY 33 -5.675 8.805 -6.379 223 H ASN 34 H ASN 34 -5.022 7.081 -7.450 224 HA ASN 34 HA ASN 34 -5.489 4.474 -6.174 225 HB2 ASN 34 HB2 ASN 34 -5.357 3.371 -8.252 226 HB3 ASN 34 HB3 ASN 34 -6.394 4.758 -8.549 227 HD21 ASN 34 1HD2 ASN 34 -5.652 6.425 -9.852 228 HD22 ASN 34 2HD2 ASN 34 -4.254 6.247 -10.866 229 H ALA 35 H ALA 35 -3.526 2.975 -7.272 230 HA ALA 35 HA ALA 35 -1.495 3.587 -5.468 231 HB1 ALA 35 HB1 ALA 35 -2.038 1.324 -6.200 232 HB2 ALA 35 HB2 ALA 35 -1.366 1.686 -7.793 233 HB3 ALA 35 HB3 ALA 35 -0.319 1.684 -6.375 234 H ASN 36 H ASN 36 -1.691 4.330 -8.939 235 HA ASN 36 HA ASN 36 1.146 4.916 -8.999 236 HB2 ASN 36 HB2 ASN 36 0.985 5.137 -11.313 237 HB3 ASN 36 HB3 ASN 36 -0.214 3.911 -10.934 238 HD21 ASN 36 1HD2 ASN 36 -0.045 5.528 -13.273 239 HD22 ASN 36 2HD2 ASN 36 -1.500 6.455 -13.359 240 H ASN 37 H ASN 37 -1.579 6.605 -8.077 241 HA ASN 37 HA ASN 37 -0.340 9.210 -8.671 242 HB2 ASN 37 HB2 ASN 37 -2.763 8.707 -9.349 243 HB3 ASN 37 HB3 ASN 37 -3.141 8.740 -7.632 244 HD21 ASN 37 1HD2 ASN 37 -3.205 10.693 -6.560 245 HD22 ASN 37 2HD2 ASN 37 -3.129 12.218 -7.382 246 H TRP 38 H TRP 38 -0.067 6.999 -6.461 247 HA TRP 38 HA TRP 38 -1.021 7.881 -4.039 248 HB2 TRP 38 HB2 TRP 38 0.857 5.909 -4.947 249 HB3 TRP 38 HB3 TRP 38 1.417 6.657 -3.448 250 HD1 TRP 38 HD1 TRP 38 -2.182 5.697 -4.521 251 HE1 TRP 38 HE1 TRP 38 -3.165 4.235 -2.676 252 HE3 TRP 38 HE3 TRP 38 1.913 5.370 -1.495 253 HZ2 TRP 38 HZ2 TRP 38 -2.324 3.125 -0.188 254 HZ3 TRP 38 HZ3 TRP 38 1.748 4.091 0.591 255 HH2 TRP 38 HH2 TRP 38 -0.328 2.984 1.219 256 H ALA 39 H ALA 39 2.427 8.197 -4.946 257 HA ALA 39 HA ALA 39 3.132 9.625 -2.677 258 HB1 ALA 39 HB1 ALA 39 5.156 10.303 -3.917 259 HB2 ALA 39 HB2 ALA 39 4.801 8.582 -4.072 260 HB3 ALA 39 HB3 ALA 39 4.426 9.683 -5.399 261 H ALA 40 H ALA 40 1.999 10.822 -5.791 262 HA ALA 40 HA ALA 40 2.415 13.563 -5.345 263 HB1 ALA 40 HB1 ALA 40 0.779 13.907 -7.129 264 HB2 ALA 40 HB2 ALA 40 1.916 12.624 -7.543 265 HB3 ALA 40 HB3 ALA 40 0.286 12.218 -7.006 266 H ALA 41 H ALA 41 -0.540 11.610 -4.910 267 HA ALA 41 HA ALA 41 -2.050 13.754 -3.799 268 HB1 ALA 41 HB1 ALA 41 -3.098 11.874 -4.960 269 HB2 ALA 41 HB2 ALA 41 -2.563 10.772 -3.689 270 HB3 ALA 41 HB3 ALA 41 -3.732 12.043 -3.325 271 H ALA 42 H ALA 42 -0.116 11.172 -2.458 272 HA ALA 42 HA ALA 42 -0.934 11.362 0.241 273 HB1 ALA 42 HB1 ALA 42 1.648 10.408 -0.985 274 HB2 ALA 42 HB2 ALA 42 1.172 10.159 0.692 275 HB3 ALA 42 HB3 ALA 42 0.229 9.430 -0.608 276 H GLN 43 H GLN 43 1.914 12.720 -1.453 277 HA GLN 43 HA GLN 43 2.869 14.146 0.799 278 HB2 GLN 43 HB2 GLN 43 3.376 14.549 -2.155 279 HB3 GLN 43 HB3 GLN 43 4.247 15.390 -0.878 280 HG2 GLN 43 HG2 GLN 43 5.123 13.296 -0.046 281 HG3 GLN 43 HG3 GLN 43 4.183 12.403 -1.240 282 HE21 GLN 43 1HE2 GLN 43 6.922 14.483 -0.715 283 HE22 GLN 43 2HE2 GLN 43 7.676 14.203 -2.248 284 H GLY 44 H GLY 44 0.564 14.892 -1.723 285 HA2 GLY 44 HA1 GLY 44 0.257 17.652 -1.116 286 HA3 GLY 44 HA2 GLY 44 -0.911 16.642 -1.957 287 H ALA 45 H ALA 45 -0.990 14.719 0.280 288 HA ALA 45 HA ALA 45 -2.963 16.079 1.901 289 HB1 ALA 45 HB1 ALA 45 -2.008 13.220 2.011 290 HB2 ALA 45 HB2 ALA 45 -3.413 13.883 2.846 291 HB3 ALA 45 HB3 ALA 45 -3.389 13.808 1.084 292 H GLY 46 H GLY 46 0.358 15.408 2.076 293 HA2 GLY 46 HA1 GLY 46 1.656 16.588 3.708 294 HA3 GLY 46 HA2 GLY 46 0.341 16.374 4.851 295 H PHE 47 H PHE 47 1.322 13.653 2.923 296 HA PHE 47 HA PHE 47 2.339 12.334 5.307 297 HB2 PHE 47 HB2 PHE 47 2.172 11.257 2.483 298 HB3 PHE 47 HB3 PHE 47 2.509 10.326 3.931 299 HD1 PHE 47 HD1 PHE 47 0.111 12.389 5.141 300 HD2 PHE 47 HD2 PHE 47 0.541 9.285 2.265 301 HE1 PHE 47 HE1 PHE 47 -2.292 11.882 5.325 302 HE2 PHE 47 HE2 PHE 47 -1.854 8.765 2.435 303 HZ PHE 47 HZ PHE 47 -3.277 10.077 3.965 304 H THR 48 H THR 48 4.452 11.397 5.412 305 HA THR 48 HA THR 48 6.436 12.867 3.811 306 HB THR 48 HB THR 48 7.060 11.203 6.243 307 HG1 THR 48 HG1 THR 48 5.558 12.611 7.069 308 HG21 THR 48 3HG2 THR 48 8.933 12.007 4.890 309 HG22 THR 48 1HG2 THR 48 8.907 12.805 6.463 310 HG23 THR 48 2HG2 THR 48 8.336 13.660 5.030 311 H VAL 49 H VAL 49 7.909 11.747 2.504 312 HA VAL 49 HA VAL 49 7.651 8.822 2.559 313 HB VAL 49 HB VAL 49 7.328 8.585 0.317 314 HG11 VAL 49 2HG1 VAL 49 5.602 10.139 -0.454 315 HG12 VAL 49 1HG1 VAL 49 6.018 11.241 0.860 316 HG13 VAL 49 3HG1 VAL 49 5.356 9.645 1.221 317 HG21 VAL 49 3HG2 VAL 49 9.300 9.942 -0.343 318 HG22 VAL 49 2HG2 VAL 49 8.273 11.376 -0.289 319 HG23 VAL 49 1HG2 VAL 49 7.925 10.078 -1.436 320 H ASN 50 H ASN 50 9.431 7.637 2.275 321 HA ASN 50 HA ASN 50 11.690 8.674 0.853 322 HB2 ASN 50 HB2 ASN 50 13.351 7.977 2.524 323 HB3 ASN 50 HB3 ASN 50 12.317 9.231 3.182 324 HD21 ASN 50 1HD2 ASN 50 10.997 8.771 4.882 325 HD22 ASN 50 2HD2 ASN 50 11.073 7.283 5.779 326 H HIS 51 H HIS 51 13.176 6.179 1.810 327 HA HIS 51 HA HIS 51 11.357 4.254 0.554 328 HB2 HIS 51 HB2 HIS 51 14.342 4.300 0.009 329 HB3 HIS 51 HB3 HIS 51 13.142 3.280 -0.767 330 HD1 HIS 51 HD1 HIS 51 15.227 5.707 -1.806 331 HD2 HIS 51 HD2 HIS 51 11.073 5.517 -1.870 332 HE1 HIS 51 HE1 HIS 51 14.507 7.294 -3.616 333 HE2 HIS 51 HE2 HIS 51 11.991 7.285 -3.527 334 H THR 52 H THR 52 11.037 3.815 2.902 335 HA THR 52 HA THR 52 12.704 1.509 3.566 336 HB THR 52 HB THR 52 11.943 3.429 5.762 337 HG1 THR 52 HG1 THR 52 13.336 4.632 4.503 338 HG21 THR 52 3HG2 THR 52 12.507 1.113 6.378 339 HG22 THR 52 1HG2 THR 52 13.698 2.261 6.992 340 HG23 THR 52 2HG2 THR 52 14.066 1.285 5.571 341 HA PRO 53 HA PRO 53 8.232 0.448 4.134 342 HB2 PRO 53 HB2 PRO 53 8.585 -2.177 3.473 343 HB3 PRO 53 HB3 PRO 53 8.239 -0.914 2.286 344 HG2 PRO 53 HG2 PRO 53 10.876 -2.116 3.053 345 HG3 PRO 53 HG3 PRO 53 10.239 -1.758 1.436 346 HD2 PRO 53 HD2 PRO 53 12.000 -0.122 2.627 347 HD3 PRO 53 HD3 PRO 53 10.672 0.503 1.624 348 H SER 54 H SER 54 7.324 -0.595 5.866 349 HA SER 54 HA SER 54 8.607 -2.516 7.488 350 HB2 SER 54 HB2 SER 54 9.924 -0.482 8.168 351 HB3 SER 54 HB3 SER 54 8.418 0.256 8.715 352 HG SER 54 HG SER 54 9.929 -1.154 10.186 353 H LYS 55 H LYS 55 7.247 -2.724 9.624 354 HA LYS 55 HA LYS 55 4.630 -3.252 8.808 355 HB2 LYS 55 HB2 LYS 55 5.523 -4.474 10.661 356 HB3 LYS 55 HB3 LYS 55 5.819 -2.999 11.574 357 HG2 LYS 55 HG2 LYS 55 3.357 -2.620 11.631 358 HG3 LYS 55 HG3 LYS 55 3.149 -4.206 10.886 359 HD2 LYS 55 HD2 LYS 55 4.144 -5.293 12.772 360 HD3 LYS 55 HD3 LYS 55 4.611 -3.745 13.480 361 HE2 LYS 55 HE2 LYS 55 2.206 -3.152 13.638 362 HE3 LYS 55 HE3 LYS 55 1.806 -4.769 13.061 363 HZ1 LYS 55 HZ1 LYS 55 2.711 -5.734 14.998 364 HZ2 LYS 55 HZ2 LYS 55 1.745 -4.448 15.529 365 HZ3 LYS 55 HZ3 LYS 55 3.430 -4.282 15.491 366 H GLY 56 H GLY 56 3.007 -1.911 8.408 367 HA2 GLY 56 HA1 GLY 56 1.399 -0.340 9.345 368 HA3 GLY 56 HA2 GLY 56 2.750 0.514 10.081 369 H ALA 57 H ALA 57 4.164 -0.086 7.388 370 HA ALA 57 HA ALA 57 3.292 2.404 6.137 371 HB1 ALA 57 HB1 ALA 57 5.377 2.101 4.781 372 HB2 ALA 57 HB2 ALA 57 5.643 2.270 6.519 373 HB3 ALA 57 HB3 ALA 57 5.730 0.679 5.760 374 H ILE 58 H ILE 58 3.698 2.253 3.589 375 HA ILE 58 HA ILE 58 2.586 -0.243 2.543 376 HB ILE 58 HB ILE 58 1.529 2.454 1.681 377 HG12 ILE 58 2HG1 ILE 58 -0.658 1.391 2.698 378 HG13 ILE 58 3HG1 ILE 58 0.479 0.500 3.695 379 HG21 ILE 58 2HG2 ILE 58 -0.181 1.057 0.534 380 HG22 ILE 58 1HG2 ILE 58 0.756 -0.372 0.975 381 HG23 ILE 58 3HG2 ILE 58 1.455 0.853 -0.087 382 HD11 ILE 58 3HD1 ILE 58 -0.321 2.485 4.834 383 HD12 ILE 58 2HD1 ILE 58 0.262 3.495 3.512 384 HD13 ILE 58 1HD1 ILE 58 1.409 2.606 4.513 385 H LEU 59 H LEU 59 3.306 -0.775 0.527 386 HA LEU 59 HA LEU 59 5.731 0.441 -0.366 387 HB2 LEU 59 HB2 LEU 59 4.886 -2.027 -0.515 388 HB3 LEU 59 HB3 LEU 59 4.106 -1.488 -1.987 389 HG LEU 59 HG LEU 59 6.437 -0.672 -2.699 390 HD11 LEU 59 2HD1 LEU 59 7.495 -0.851 -0.517 391 HD12 LEU 59 1HD1 LEU 59 8.297 -1.891 -1.696 392 HD13 LEU 59 3HD1 LEU 59 7.200 -2.589 -0.504 393 HD21 LEU 59 3HD2 LEU 59 7.006 -2.888 -3.559 394 HD22 LEU 59 2HD2 LEU 59 5.282 -2.556 -3.719 395 HD23 LEU 59 1HD2 LEU 59 5.860 -3.620 -2.436 396 H GLN 60 H GLN 60 6.107 1.336 -2.497 397 HA GLN 60 HA GLN 60 3.849 1.947 -4.176 398 HB2 GLN 60 HB2 GLN 60 3.588 3.851 -2.805 399 HB3 GLN 60 HB3 GLN 60 5.322 4.117 -2.698 400 HG2 GLN 60 HG2 GLN 60 4.312 5.786 -4.115 401 HG3 GLN 60 HG3 GLN 60 5.373 4.747 -5.064 402 HE21 GLN 60 1HE2 GLN 60 3.226 6.414 -6.021 403 HE22 GLN 60 2HE2 GLN 60 2.069 5.368 -6.764 404 H SER 61 H SER 61 4.372 1.955 -6.210 405 HA SER 61 HA SER 61 6.863 3.050 -7.143 406 HB2 SER 61 HB2 SER 61 7.468 0.673 -6.709 407 HB3 SER 61 HB3 SER 61 6.178 0.172 -7.801 408 HG SER 61 HG SER 61 8.190 1.967 -8.653 409 H SER 62 H SER 62 6.471 4.117 -8.979 410 HA SER 62 HA SER 62 3.854 3.881 -10.195 411 HB2 SER 62 HB2 SER 62 5.144 5.749 -11.686 412 HB3 SER 62 HB3 SER 62 4.308 6.108 -10.175 413 HG SER 62 HG SER 62 7.081 5.704 -10.615 414 H GLU 63 H GLU 63 6.356 1.999 -10.453 415 HA GLU 63 HA GLU 63 6.618 1.874 -13.337 416 HB2 GLU 63 HB2 GLU 63 7.776 0.130 -11.154 417 HB3 GLU 63 HB3 GLU 63 8.167 0.002 -12.864 418 HG2 GLU 63 HG2 GLU 63 8.673 2.419 -11.144 419 HG3 GLU 63 HG3 GLU 63 9.877 1.208 -11.587 420 H GLY 64 H GLY 64 4.301 1.468 -13.650 421 HA2 GLY 64 HA1 GLY 64 3.722 -1.192 -14.235 422 HA3 GLY 64 HA2 GLY 64 3.026 -0.854 -12.655 423 HA PRO 65 HA PRO 65 0.068 0.517 -15.979 424 HB2 PRO 65 HB2 PRO 65 -2.051 -0.988 -15.244 425 HB3 PRO 65 HB3 PRO 65 -0.779 -1.595 -16.307 426 HG2 PRO 65 HG2 PRO 65 -1.227 -2.099 -13.406 427 HG3 PRO 65 HG3 PRO 65 -0.646 -3.205 -14.663 428 HD2 PRO 65 HD2 PRO 65 0.970 -1.914 -12.829 429 HD3 PRO 65 HD3 PRO 65 1.522 -2.544 -14.392 430 H PHE 66 H PHE 66 -0.819 -0.251 -12.616 431 HA PHE 66 HA PHE 66 -2.071 2.405 -12.429 432 HB2 PHE 66 HB2 PHE 66 -3.066 -0.240 -11.373 433 HB3 PHE 66 HB3 PHE 66 -3.615 1.292 -10.704 434 HD1 PHE 66 HD1 PHE 66 -3.628 -0.871 -13.671 435 HD2 PHE 66 HD2 PHE 66 -5.128 2.695 -11.896 436 HE1 PHE 66 HE1 PHE 66 -5.332 -0.712 -15.439 437 HE2 PHE 66 HE2 PHE 66 -6.833 2.860 -13.660 438 HZ PHE 66 HZ PHE 66 -6.936 1.154 -15.434 439 H GLY 67 H GLY 67 0.636 1.458 -11.758 440 HA2 GLY 67 HA1 GLY 67 2.128 2.076 -10.082 441 HA3 GLY 67 HA2 GLY 67 0.761 2.509 -9.065 442 H HIS 68 H HIS 68 2.283 1.422 -7.475 443 HA HIS 68 HA HIS 68 1.390 -1.341 -7.129 444 HB2 HIS 68 HB2 HIS 68 4.316 -0.519 -7.113 445 HB3 HIS 68 HB3 HIS 68 3.718 -2.002 -6.380 446 HD1 HIS 68 HD1 HIS 68 3.268 -3.967 -7.899 447 HD2 HIS 68 HD2 HIS 68 4.238 -0.495 -9.956 448 HE1 HIS 68 HE1 HIS 68 3.715 -4.693 -10.261 449 HE2 HIS 68 HE2 HIS 68 4.557 -2.613 -11.406 450 H VAL 69 H VAL 69 0.105 -0.471 -5.336 451 HA VAL 69 HA VAL 69 1.859 0.171 -3.077 452 HB VAL 69 HB VAL 69 0.003 1.292 -1.999 453 HG11 VAL 69 2HG1 VAL 69 0.468 2.182 -4.840 454 HG12 VAL 69 1HG1 VAL 69 1.474 2.562 -3.443 455 HG13 VAL 69 3HG1 VAL 69 -0.169 3.194 -3.544 456 HG21 VAL 69 3HG2 VAL 69 -1.865 -0.013 -2.913 457 HG22 VAL 69 2HG2 VAL 69 -1.583 0.697 -4.504 458 HG23 VAL 69 1HG2 VAL 69 -2.105 1.716 -3.163 459 H ALA 70 H ALA 70 2.207 -1.406 -1.800 460 HA ALA 70 HA ALA 70 0.044 -3.298 -1.176 461 HB1 ALA 70 HB1 ALA 70 2.986 -3.909 -1.456 462 HB2 ALA 70 HB2 ALA 70 1.746 -5.050 -0.933 463 HB3 ALA 70 HB3 ALA 70 1.711 -4.399 -2.572 464 H TYR 71 H TYR 71 -0.407 -3.451 0.933 465 HA TYR 71 HA TYR 71 0.819 -1.586 2.694 466 HB2 TYR 71 HB2 TYR 71 -1.499 -1.928 2.984 467 HB3 TYR 71 HB3 TYR 71 -1.318 -3.680 3.036 468 HD1 TYR 71 HD2 TYR 71 -0.665 -0.556 4.926 469 HD2 TYR 71 HD1 TYR 71 -0.946 -4.801 5.053 470 HE1 TYR 71 HE2 TYR 71 -0.563 -0.479 7.383 471 HE2 TYR 71 HE1 TYR 71 -0.847 -4.731 7.516 472 HH TYR 71 HH TYR 71 -1.203 -1.853 9.298 473 H VAL 72 H VAL 72 2.446 -1.850 4.059 474 HA VAL 72 HA VAL 72 3.829 -4.395 4.092 475 HB VAL 72 HB VAL 72 4.632 -1.962 5.673 476 HG11 VAL 72 2HG1 VAL 72 6.129 -4.299 4.508 477 HG12 VAL 72 1HG1 VAL 72 5.861 -3.924 6.214 478 HG13 VAL 72 3HG1 VAL 72 6.905 -2.891 5.235 479 HG21 VAL 72 3HG2 VAL 72 5.342 -2.478 2.784 480 HG22 VAL 72 2HG2 VAL 72 5.928 -1.152 3.793 481 HG23 VAL 72 1HG2 VAL 72 4.222 -1.238 3.351 482 H GLU 73 H GLU 73 3.227 -5.907 5.513 483 HA GLU 73 HA GLU 73 1.844 -5.072 7.935 484 HB2 GLU 73 HB2 GLU 73 2.230 -7.836 6.777 485 HB3 GLU 73 HB3 GLU 73 1.255 -7.448 8.188 486 HG2 GLU 73 HG2 GLU 73 0.164 -5.768 6.408 487 HG3 GLU 73 HG3 GLU 73 0.689 -7.048 5.323 488 H SER 74 H SER 74 4.945 -6.105 6.958 489 HA SER 74 HA SER 74 6.028 -5.852 9.546 490 HB2 SER 74 HB2 SER 74 6.737 -8.232 9.881 491 HB3 SER 74 HB3 SER 74 4.994 -7.996 10.017 492 HG SER 74 HG SER 74 6.013 -9.790 8.601 493 H VAL 75 H VAL 75 8.332 -6.318 9.600 494 HA VAL 75 HA VAL 75 9.540 -6.698 6.943 495 HB VAL 75 HB VAL 75 10.026 -4.451 7.760 496 HG11 VAL 75 2HG1 VAL 75 11.288 -4.062 9.814 497 HG12 VAL 75 1HG1 VAL 75 11.219 -5.785 10.185 498 HG13 VAL 75 3HG1 VAL 75 9.735 -4.830 10.147 499 HG21 VAL 75 3HG2 VAL 75 11.764 -5.542 6.474 500 HG22 VAL 75 2HG2 VAL 75 12.421 -6.279 7.936 501 HG23 VAL 75 1HG2 VAL 75 12.493 -4.530 7.723 502 H ASN 76 H ASN 76 11.084 -8.280 6.770 503 HA ASN 76 HA ASN 76 11.189 -10.133 9.017 504 HB2 ASN 76 HB2 ASN 76 12.280 -10.480 6.210 505 HB3 ASN 76 HB3 ASN 76 12.087 -11.739 7.425 506 HD21 ASN 76 1HD2 ASN 76 11.006 -11.605 4.758 507 HD22 ASN 76 2HD2 ASN 76 9.285 -11.692 4.919 508 H SER 77 H SER 77 13.245 -11.045 9.700 509 HA SER 77 HA SER 77 15.190 -8.995 10.084 510 HB2 SER 77 HB2 SER 77 16.399 -11.151 11.124 511 HB3 SER 77 HB3 SER 77 15.108 -10.286 11.960 512 HG SER 77 HG SER 77 14.884 -12.647 10.389 513 H ASP 78 H ASP 78 14.676 -10.961 7.512 514 HA ASP 78 HA ASP 78 17.410 -11.530 6.799 515 HB2 ASP 78 HB2 ASP 78 14.886 -11.592 5.124 516 HB3 ASP 78 HB3 ASP 78 16.453 -12.212 4.622 517 H GLY 79 H GLY 79 15.422 -8.812 6.725 518 HA2 GLY 79 HA1 GLY 79 16.255 -6.668 6.064 519 HA3 GLY 79 HA2 GLY 79 17.230 -7.465 4.836 520 H SER 80 H SER 80 14.453 -9.048 4.653 521 HA SER 80 HA SER 80 13.375 -7.281 2.581 522 HB2 SER 80 HB2 SER 80 12.140 -9.435 1.923 523 HB3 SER 80 HB3 SER 80 13.884 -9.405 1.667 524 HG SER 80 HG SER 80 13.745 -11.227 2.752 525 H VAL 81 H VAL 81 11.150 -6.789 2.542 526 HA VAL 81 HA VAL 81 9.866 -7.071 5.169 527 HB VAL 81 HB VAL 81 8.475 -5.177 4.606 528 HG11 VAL 81 2HG1 VAL 81 11.366 -4.627 3.957 529 HG12 VAL 81 1HG1 VAL 81 10.653 -4.697 5.568 530 HG13 VAL 81 3HG1 VAL 81 10.174 -3.423 4.446 531 HG21 VAL 81 3HG2 VAL 81 9.860 -5.185 1.925 532 HG22 VAL 81 2HG2 VAL 81 8.768 -3.928 2.506 533 HG23 VAL 81 1HG2 VAL 81 8.164 -5.562 2.230 534 H THR 82 H THR 82 7.657 -7.583 5.319 535 HA THR 82 HA THR 82 6.676 -9.202 3.076 536 HB THR 82 HB THR 82 5.960 -9.349 6.018 537 HG1 THR 82 HG1 THR 82 7.730 -10.525 6.013 538 HG21 THR 82 3HG2 THR 82 5.106 -11.116 3.710 539 HG22 THR 82 1HG2 THR 82 4.072 -9.955 4.544 540 HG23 THR 82 2HG2 THR 82 4.700 -11.357 5.410 541 H ILE 83 H ILE 83 5.142 -8.289 1.910 542 HA ILE 83 HA ILE 83 3.391 -6.296 3.192 543 HB ILE 83 HB ILE 83 3.205 -5.224 0.946 544 HG12 ILE 83 2HG1 ILE 83 5.485 -7.090 0.261 545 HG13 ILE 83 3HG1 ILE 83 3.863 -7.162 -0.417 546 HG21 ILE 83 2HG2 ILE 83 5.973 -5.408 2.125 547 HG22 ILE 83 1HG2 ILE 83 4.695 -4.293 2.610 548 HG23 ILE 83 3HG2 ILE 83 5.426 -4.155 1.010 549 HD11 ILE 83 3HD1 ILE 83 5.454 -6.133 -1.948 550 HD12 ILE 83 2HD1 ILE 83 5.799 -4.882 -0.754 551 HD13 ILE 83 1HD1 ILE 83 4.191 -5.001 -1.470 552 H SER 84 H SER 84 1.232 -6.346 2.756 553 HA SER 84 HA SER 84 0.287 -8.678 1.227 554 HB2 SER 84 HB2 SER 84 -0.990 -7.376 3.644 555 HB3 SER 84 HB3 SER 84 -1.670 -8.724 2.732 556 HG SER 84 HG SER 84 0.861 -8.765 4.015 557 H GLU 85 H GLU 85 -0.332 -7.950 -0.653 558 HA GLU 85 HA GLU 85 -2.032 -5.556 -0.820 559 HB2 GLU 85 HB2 GLU 85 -1.452 -5.650 -3.289 560 HB3 GLU 85 HB3 GLU 85 -0.117 -5.263 -2.212 561 HG2 GLU 85 HG2 GLU 85 0.712 -7.525 -2.362 562 HG3 GLU 85 HG3 GLU 85 -0.679 -7.994 -3.336 563 H MET 86 H MET 86 -4.130 -6.109 -0.812 564 HA MET 86 HA MET 86 -5.014 -8.671 -1.730 565 HB2 MET 86 HB2 MET 86 -6.156 -7.562 0.124 566 HB3 MET 86 HB3 MET 86 -6.605 -6.230 -0.931 567 HG2 MET 86 HG2 MET 86 -8.048 -7.623 -2.207 568 HG3 MET 86 HG3 MET 86 -7.458 -9.067 -1.392 569 HE1 MET 86 HE1 MET 86 -7.395 -8.364 1.648 570 HE2 MET 86 HE2 MET 86 -9.023 -8.844 2.126 571 HE3 MET 86 HE3 MET 86 -8.118 -9.823 0.969 572 H ASN 87 H ASN 87 -5.070 -9.154 -3.769 573 HA ASN 87 HA ASN 87 -5.660 -9.204 -5.943 574 HB2 ASN 87 HB2 ASN 87 -7.839 -8.334 -5.433 575 HB3 ASN 87 HB3 ASN 87 -7.214 -6.693 -5.299 576 HD21 ASN 87 1HD2 ASN 87 -8.723 -6.018 -6.878 577 HD22 ASN 87 2HD2 ASN 87 -8.464 -6.335 -8.557 578 H TYR 88 H TYR 88 -4.970 -5.812 -5.063 579 HA TYR 88 HA TYR 88 -3.610 -4.266 -5.986 580 HB2 TYR 88 HB2 TYR 88 -1.677 -5.490 -5.738 581 HB3 TYR 88 HB3 TYR 88 -2.232 -6.800 -6.765 582 HD1 TYR 88 HD2 TYR 88 -1.420 -3.145 -7.154 583 HD2 TYR 88 HD1 TYR 88 -1.086 -7.091 -8.713 584 HE1 TYR 88 HE2 TYR 88 -0.074 -2.292 -9.030 585 HE2 TYR 88 HE1 TYR 88 0.256 -6.247 -10.587 586 HH TYR 88 HH TYR 88 0.695 -4.247 -11.777 587 H SER 89 H SER 89 -3.611 -6.598 -8.675 588 HA SER 89 HA SER 89 -5.553 -5.166 -10.209 589 HB2 SER 89 HB2 SER 89 -2.634 -4.919 -10.992 590 HB3 SER 89 HB3 SER 89 -3.980 -4.527 -12.059 591 HG SER 89 HG SER 89 -4.199 -3.311 -9.634 592 H GLY 90 H GLY 90 -5.879 -7.659 -9.663 593 HA2 GLY 90 HA1 GLY 90 -5.697 -9.033 -12.132 594 HA3 GLY 90 HA2 GLY 90 -4.461 -9.626 -11.033 595 H GLY 91 H GLY 91 -5.059 -10.796 -9.199 596 HA2 GLY 91 HA1 GLY 91 -7.560 -12.212 -9.531 597 HA3 GLY 91 HA2 GLY 91 -6.300 -12.572 -8.359 598 HA PRO 92 HA PRO 92 -9.742 -9.272 -6.930 599 HB2 PRO 92 HB2 PRO 92 -11.742 -11.475 -7.013 600 HB3 PRO 92 HB3 PRO 92 -11.951 -9.750 -7.338 601 HG2 PRO 92 HG2 PRO 92 -11.887 -11.484 -9.343 602 HG3 PRO 92 HG3 PRO 92 -11.071 -9.913 -9.483 603 HD2 PRO 92 HD2 PRO 92 -9.901 -12.620 -8.966 604 HD3 PRO 92 HD3 PRO 92 -9.282 -11.298 -9.979 605 H PHE 93 H PHE 93 -9.142 -9.101 -4.918 606 HA PHE 93 HA PHE 93 -9.028 -9.380 -2.690 607 HB2 PHE 93 HB2 PHE 93 -10.826 -11.741 -3.209 608 HB3 PHE 93 HB3 PHE 93 -10.263 -11.279 -1.603 609 HD1 PHE 93 HD2 PHE 93 -12.151 -10.018 -4.546 610 HD2 PHE 93 HD1 PHE 93 -11.385 -9.654 -0.377 611 HE1 PHE 93 HE2 PHE 93 -14.020 -8.432 -4.343 612 HE2 PHE 93 HE1 PHE 93 -13.251 -8.068 -0.170 613 HZ PHE 93 HZ PHE 93 -14.572 -7.457 -2.152 614 H SER 94 H SER 94 -7.440 -11.164 -4.831 615 HA SER 94 HA SER 94 -6.294 -13.159 -3.170 616 HB2 SER 94 HB2 SER 94 -5.141 -11.757 -5.591 617 HB3 SER 94 HB3 SER 94 -4.424 -13.175 -4.810 618 HG SER 94 HG SER 94 -5.665 -13.948 -6.461 619 H VAL 95 H VAL 95 -5.939 -12.099 -1.196 620 HA VAL 95 HA VAL 95 -4.275 -9.885 -0.887 621 HB VAL 95 HB VAL 95 -5.606 -10.556 0.971 622 HG11 VAL 95 2HG1 VAL 95 -5.252 -12.651 2.202 623 HG12 VAL 95 1HG1 VAL 95 -4.079 -13.153 0.984 624 HG13 VAL 95 3HG1 VAL 95 -5.771 -12.933 0.539 625 HG21 VAL 95 3HG2 VAL 95 -3.961 -10.668 2.789 626 HG22 VAL 95 2HG2 VAL 95 -3.523 -9.473 1.567 627 HG23 VAL 95 1HG2 VAL 95 -2.701 -11.034 1.611 628 H SER 96 H SER 96 -2.450 -9.912 -2.057 629 HA SER 96 HA SER 96 -0.947 -12.345 -2.382 630 HB2 SER 96 HB2 SER 96 -0.470 -9.569 -3.492 631 HB3 SER 96 HB3 SER 96 0.363 -11.040 -3.999 632 HG SER 96 HG SER 96 -2.448 -10.629 -4.152 633 H SER 97 H SER 97 0.596 -12.954 -1.130 634 HA SER 97 HA SER 97 1.867 -11.076 0.701 635 HB2 SER 97 HB2 SER 97 2.351 -14.046 0.372 636 HB3 SER 97 HB3 SER 97 2.876 -13.040 1.722 637 HG SER 97 HG SER 97 0.163 -13.427 0.977 638 H ARG 98 H ARG 98 3.307 -9.802 -0.341 639 HA ARG 98 HA ARG 98 5.209 -11.033 -2.207 640 HB2 ARG 98 HB2 ARG 98 4.980 -8.105 -1.546 641 HB3 ARG 98 HB3 ARG 98 5.770 -8.834 -2.932 642 HG2 ARG 98 HG2 ARG 98 2.816 -8.983 -2.460 643 HG3 ARG 98 HG3 ARG 98 3.593 -7.687 -3.365 644 HD2 ARG 98 HD2 ARG 98 4.588 -9.480 -4.833 645 HD3 ARG 98 HD3 ARG 98 3.497 -10.616 -4.034 646 HE ARG 98 HE ARG 98 2.085 -8.347 -4.988 647 HH11 ARG 98 2HH1 ARG 98 3.589 -11.313 -6.113 648 HH12 ARG 98 1HH1 ARG 98 2.532 -11.456 -7.490 649 HH21 ARG 98 2HH2 ARG 98 0.734 -8.514 -6.750 650 HH22 ARG 98 1HH2 ARG 98 0.917 -9.833 -7.880 651 H THR 99 H THR 99 7.463 -10.346 -2.049 652 HA THR 99 HA THR 99 8.333 -9.722 0.692 653 HB THR 99 HB THR 99 9.723 -11.683 -1.154 654 HG1 THR 99 HG1 THR 99 8.109 -12.140 1.174 655 HG21 THR 99 3HG2 THR 99 11.223 -10.523 0.397 656 HG22 THR 99 1HG2 THR 99 11.051 -12.223 0.837 657 HG23 THR 99 2HG2 THR 99 10.187 -10.984 1.748 658 H ILE 100 H ILE 100 9.187 -7.731 0.551 659 HA ILE 100 HA ILE 100 10.625 -6.964 -1.896 660 HB ILE 100 HB ILE 100 9.709 -5.248 0.416 661 HG12 ILE 100 2HG1 ILE 100 7.805 -5.994 -0.864 662 HG13 ILE 100 3HG1 ILE 100 8.121 -4.298 -1.228 663 HG21 ILE 100 2HG2 ILE 100 10.971 -4.457 -2.201 664 HG22 ILE 100 1HG2 ILE 100 11.699 -4.325 -0.600 665 HG23 ILE 100 3HG2 ILE 100 10.295 -3.342 -1.014 666 HD11 ILE 100 3HD1 ILE 100 9.173 -4.927 -3.326 667 HD12 ILE 100 2HD1 ILE 100 7.537 -5.576 -3.227 668 HD13 ILE 100 1HD1 ILE 100 8.922 -6.634 -2.959 669 H SER 101 H SER 101 12.733 -7.480 -1.812 670 HA SER 101 HA SER 101 14.204 -7.583 0.641 671 HB2 SER 101 HB2 SER 101 15.288 -7.458 -2.184 672 HB3 SER 101 HB3 SER 101 16.112 -8.082 -0.756 673 HG SER 101 HG SER 101 14.156 -9.250 -2.342 674 H ALA 102 H ALA 102 16.033 -6.178 1.172 675 HA ALA 102 HA ALA 102 15.478 -3.476 1.212 676 HB1 ALA 102 HB1 ALA 102 18.226 -4.719 1.328 677 HB2 ALA 102 HB2 ALA 102 17.757 -3.139 1.956 678 HB3 ALA 102 HB3 ALA 102 17.103 -4.607 2.684 679 H SER 103 H SER 103 17.391 -5.288 -1.136 680 HA SER 103 HA SER 103 18.415 -3.161 -2.626 681 HB2 SER 103 HB2 SER 103 18.414 -4.880 -4.530 682 HB3 SER 103 HB3 SER 103 19.290 -5.319 -3.063 683 HG SER 103 HG SER 103 18.050 -7.004 -2.964 684 H GLU 104 H GLU 104 15.274 -4.722 -2.712 685 HA GLU 104 HA GLU 104 14.333 -3.190 -4.971 686 HB2 GLU 104 HB2 GLU 104 12.968 -5.042 -3.024 687 HB3 GLU 104 HB3 GLU 104 12.126 -4.218 -4.324 688 HG2 GLU 104 HG2 GLU 104 13.248 -5.409 -5.974 689 HG3 GLU 104 HG3 GLU 104 14.495 -5.960 -4.850 690 H ALA 105 H ALA 105 14.040 -3.125 -1.464 691 HA ALA 105 HA ALA 105 12.034 -1.252 -1.134 692 HB1 ALA 105 HB1 ALA 105 13.075 -0.724 1.023 693 HB2 ALA 105 HB2 ALA 105 13.040 -2.463 0.726 694 HB3 ALA 105 HB3 ALA 105 14.541 -1.563 0.516 695 H GLY 106 H GLY 106 15.366 -0.819 -2.067 696 HA2 GLY 106 HA1 GLY 106 15.578 1.956 -1.771 697 HA3 GLY 106 HA2 GLY 106 16.497 0.986 -2.907 698 H ASN 107 H ASN 107 13.817 0.163 -4.231 699 HA ASN 107 HA ASN 107 13.621 2.640 -5.816 700 HB2 ASN 107 HB2 ASN 107 12.854 1.357 -7.686 701 HB3 ASN 107 HB3 ASN 107 14.284 0.562 -7.051 702 HD21 ASN 107 1HD2 ASN 107 10.764 0.401 -7.224 703 HD22 ASN 107 2HD2 ASN 107 10.638 -1.291 -6.921 704 H TYR 108 H TYR 108 12.014 1.256 -3.367 705 HA TYR 108 HA TYR 108 9.367 1.889 -4.468 706 HB2 TYR 108 HB2 TYR 108 10.195 0.118 -2.177 707 HB3 TYR 108 HB3 TYR 108 8.527 0.617 -2.435 708 HD1 TYR 108 HD2 TYR 108 7.755 0.264 -5.001 709 HD2 TYR 108 HD1 TYR 108 10.761 -1.970 -2.991 710 HE1 TYR 108 HE2 TYR 108 7.429 -1.587 -6.585 711 HE2 TYR 108 HE1 TYR 108 10.439 -3.826 -4.567 712 HH TYR 108 HH TYR 108 8.765 -4.691 -6.080 713 H ASN 109 H ASN 109 8.184 3.475 -3.674 714 HA ASN 109 HA ASN 109 9.275 5.144 -1.544 715 HB2 ASN 109 HB2 ASN 109 6.700 5.541 -3.102 716 HB3 ASN 109 HB3 ASN 109 7.540 6.749 -2.135 717 HD21 ASN 109 1HD2 ASN 109 6.712 6.835 -4.903 718 HD22 ASN 109 2HD2 ASN 109 8.139 7.138 -5.830 719 H TYR 110 H TYR 110 7.852 5.745 0.279 720 HA TYR 110 HA TYR 110 5.408 4.236 0.564 721 HB2 TYR 110 HB2 TYR 110 5.888 3.120 2.567 722 HB3 TYR 110 HB3 TYR 110 7.321 2.836 1.587 723 HD1 TYR 110 HD1 TYR 110 9.244 4.624 1.950 724 HD2 TYR 110 HD2 TYR 110 6.165 3.768 4.743 725 HE1 TYR 110 HE1 TYR 110 10.636 5.527 3.756 726 HE2 TYR 110 HE2 TYR 110 7.550 4.669 6.563 727 HH TYR 110 HH TYR 110 9.878 5.112 7.070 728 H ILE 111 H ILE 111 3.946 5.256 1.929 729 HA ILE 111 HA ILE 111 4.787 7.984 2.588 730 HB ILE 111 HB ILE 111 2.420 8.629 2.394 731 HG12 ILE 111 2HG1 ILE 111 2.000 5.772 1.468 732 HG13 ILE 111 3HG1 ILE 111 1.366 6.476 2.951 733 HG21 ILE 111 2HG2 ILE 111 3.901 8.844 0.480 734 HG22 ILE 111 1HG2 ILE 111 2.278 8.406 -0.054 735 HG23 ILE 111 3HG2 ILE 111 3.548 7.183 -0.002 736 HD11 ILE 111 3HD1 ILE 111 0.037 8.048 1.597 737 HD12 ILE 111 2HD1 ILE 111 -0.366 6.359 1.279 738 HD13 ILE 111 1HD1 ILE 111 0.635 7.257 0.135 739 H HIS 112 H HIS 112 5.187 8.307 4.627 740 HA HIS 112 HA HIS 112 3.548 6.884 6.611 741 HB2 HIS 112 HB2 HIS 112 5.448 6.966 8.156 742 HB3 HIS 112 HB3 HIS 112 5.878 6.121 6.678 743 HD1 HIS 112 HD1 HIS 112 6.613 9.213 8.650 744 HD2 HIS 112 HD2 HIS 112 7.943 7.316 5.158 745 HE1 HIS 112 HE1 HIS 112 8.731 10.383 7.999 746 HE2 HIS 112 HE2 HIS 112 9.599 9.123 6.012 747 H ILE 113 H ILE 113 2.653 8.048 8.259 748 HA ILE 113 HA ILE 113 2.021 10.739 7.667 749 HB ILE 113 HB ILE 113 1.603 9.360 10.326 750 HG12 ILE 113 2HG1 ILE 113 -0.185 9.274 7.885 751 HG13 ILE 113 3HG1 ILE 113 0.806 7.939 8.461 752 HG21 ILE 113 2HG2 ILE 113 0.157 11.611 8.934 753 HG22 ILE 113 1HG2 ILE 113 1.105 11.701 10.419 754 HG23 ILE 113 3HG2 ILE 113 -0.419 10.809 10.397 755 HD11 ILE 113 3HD1 ILE 113 -1.522 7.682 9.121 756 HD12 ILE 113 2HD1 ILE 113 -1.453 9.221 9.980 757 HD13 ILE 113 1HD1 ILE 113 -0.472 7.861 10.527 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 -6.588 -6.394 14.169 2 H2 GLY 1 H2 GLY 1 -6.645 -7.138 15.695 3 H3 GLY 1 H3 GLY 1 -5.312 -6.183 15.267 4 HA2 GLY 1 HA2 GLY 1 -6.882 -5.072 16.806 5 HA3 GLY 1 HA1 GLY 1 -6.578 -4.200 15.308 6 H SER 2 H SER 2 -8.792 -3.502 16.609 7 HA SER 2 HA SER 2 -11.031 -4.940 15.387 8 HB2 SER 2 HB2 SER 2 -11.258 -4.299 17.758 9 HB3 SER 2 HB3 SER 2 -11.009 -2.607 17.329 10 HG SER 2 HG SER 2 -13.101 -4.098 16.151 11 H SER 3 H SER 3 -11.365 -4.411 13.336 12 HA SER 3 HA SER 3 -10.464 -1.897 12.275 13 HB2 SER 3 HB2 SER 3 -11.952 -4.179 10.950 14 HB3 SER 3 HB3 SER 3 -11.221 -2.810 10.111 15 HG SER 3 HG SER 3 -9.201 -3.486 10.820 16 H ILE 4 H ILE 4 -11.674 -0.235 13.008 17 HA ILE 4 HA ILE 4 -14.532 -0.288 12.319 18 HB ILE 4 HB ILE 4 -14.715 1.731 13.829 19 HG12 ILE 4 2HG1 ILE 4 -12.001 0.781 14.786 20 HG13 ILE 4 3HG1 ILE 4 -12.295 2.271 13.896 21 HG21 ILE 4 2HG2 ILE 4 -13.891 -0.899 15.051 22 HG22 ILE 4 1HG2 ILE 4 -15.508 -0.456 14.500 23 HG23 ILE 4 3HG2 ILE 4 -14.785 0.376 15.879 24 HD11 ILE 4 3HD1 ILE 4 -12.041 2.686 16.278 25 HD12 ILE 4 2HD1 ILE 4 -13.395 1.609 16.616 26 HD13 ILE 4 1HD1 ILE 4 -13.663 3.108 15.726 27 H SER 5 H SER 5 -13.427 -0.034 10.143 28 HA SER 5 HA SER 5 -12.385 2.608 9.567 29 HB2 SER 5 HB2 SER 5 -12.244 1.521 7.205 30 HB3 SER 5 HB3 SER 5 -11.169 0.927 8.471 31 HG SER 5 HG SER 5 -12.086 -0.856 7.509 32 H HIS 6 H HIS 6 -14.919 2.850 10.423 33 HA HIS 6 HA HIS 6 -16.939 3.764 9.979 34 HB2 HIS 6 HB2 HIS 6 -15.785 4.106 7.204 35 HB3 HIS 6 HB3 HIS 6 -17.366 4.714 7.683 36 HD1 HIS 6 HD1 HIS 6 -13.825 5.610 7.631 37 HD2 HIS 6 HD2 HIS 6 -17.200 6.740 9.787 38 HE1 HIS 6 HE1 HIS 6 -13.223 7.780 8.743 39 HE2 HIS 6 HE2 HIS 6 -15.326 8.525 9.909 40 H SER 7 H SER 7 -16.335 2.160 6.876 41 HA SER 7 HA SER 7 -18.029 -0.066 7.618 42 HB2 SER 7 HB2 SER 7 -18.742 1.700 5.255 43 HB3 SER 7 HB3 SER 7 -19.548 0.196 5.701 44 HG SER 7 HG SER 7 -19.522 1.731 7.850 45 H GLY 8 H GLY 8 -15.245 0.800 6.633 46 HA2 GLY 8 HA1 GLY 8 -13.969 -1.137 5.625 47 HA3 GLY 8 HA2 GLY 8 -15.085 -0.961 4.275 48 H ASN 9 H ASN 9 -15.061 1.064 3.099 49 HA ASN 9 HA ASN 9 -13.060 3.019 3.430 50 HB2 ASN 9 HB2 ASN 9 -11.564 1.145 2.824 51 HB3 ASN 9 HB3 ASN 9 -12.476 0.899 1.343 52 HD21 ASN 9 1HD2 ASN 9 -10.512 1.146 0.234 53 HD22 ASN 9 2HD2 ASN 9 -9.849 2.709 -0.080 54 H LEU 10 H LEU 10 -12.905 4.404 1.413 55 HA LEU 10 HA LEU 10 -15.575 4.784 0.361 56 HB2 LEU 10 HB2 LEU 10 -13.013 6.303 -0.089 57 HB3 LEU 10 HB3 LEU 10 -14.594 6.816 -0.649 58 HG LEU 10 HG LEU 10 -13.738 6.545 2.236 59 HD11 LEU 10 2HD1 LEU 10 -12.745 8.468 1.105 60 HD12 LEU 10 1HD1 LEU 10 -13.945 8.969 2.295 61 HD13 LEU 10 3HD1 LEU 10 -14.345 8.990 0.579 62 HD21 LEU 10 3HD2 LEU 10 -15.902 7.528 2.777 63 HD22 LEU 10 2HD2 LEU 10 -16.100 5.993 1.935 64 HD23 LEU 10 1HD2 LEU 10 -16.348 7.510 1.071 65 H TYR 11 H TYR 11 -12.765 3.172 -0.605 66 HA TYR 11 HA TYR 11 -13.028 3.635 -3.428 67 HB2 TYR 11 HB2 TYR 11 -10.876 3.104 -2.069 68 HB3 TYR 11 HB3 TYR 11 -11.390 1.426 -2.212 69 HD1 TYR 11 HD1 TYR 11 -10.879 4.435 -4.354 70 HD2 TYR 11 HD2 TYR 11 -10.596 0.210 -4.009 71 HE1 TYR 11 HE1 TYR 11 -9.866 4.328 -6.595 72 HE2 TYR 11 HE2 TYR 11 -9.582 0.086 -6.247 73 HH TYR 11 HH TYR 11 -9.533 1.426 -8.314 74 H THR 12 H THR 12 -12.586 1.057 -4.455 75 HA THR 12 HA THR 12 -15.276 0.300 -4.849 76 HB THR 12 HB THR 12 -12.883 -1.347 -5.645 77 HG1 THR 12 HG1 THR 12 -12.701 0.064 -7.440 78 HG21 THR 12 3HG2 THR 12 -15.099 -2.297 -6.127 79 HG22 THR 12 1HG2 THR 12 -14.250 -1.860 -7.610 80 HG23 THR 12 2HG2 THR 12 -15.540 -0.826 -6.995 81 H ALA 13 H ALA 13 -13.077 -2.360 -4.426 82 HA ALA 13 HA ALA 13 -13.777 -3.171 -1.839 83 HB1 ALA 13 HB1 ALA 13 -15.319 -5.011 -2.348 84 HB2 ALA 13 HB2 ALA 13 -16.018 -3.447 -2.768 85 HB3 ALA 13 HB3 ALA 13 -15.375 -4.493 -4.033 86 H GLY 14 H GLY 14 -12.205 -4.505 -1.249 87 HA2 GLY 14 HA1 GLY 14 -10.496 -6.029 -1.340 88 HA3 GLY 14 HA2 GLY 14 -11.391 -6.788 -2.649 89 H GLN 15 H GLN 15 -10.129 -3.519 -2.651 90 HA GLN 15 HA GLN 15 -8.493 -4.218 -4.987 91 HB2 GLN 15 HB2 GLN 15 -9.436 -1.525 -3.982 92 HB3 GLN 15 HB3 GLN 15 -8.476 -1.783 -5.433 93 HG2 GLN 15 HG2 GLN 15 -11.182 -3.013 -5.008 94 HG3 GLN 15 HG3 GLN 15 -10.934 -1.452 -5.791 95 HE21 GLN 15 1HE2 GLN 15 -10.208 -4.865 -5.977 96 HE22 GLN 15 2HE2 GLN 15 -9.974 -4.917 -7.695 97 H CYS 16 H CYS 16 -6.411 -3.009 -5.213 98 HA CYS 16 HA CYS 16 -4.707 -3.521 -3.048 99 HB2 CYS 16 HB2 CYS 16 -3.068 -2.086 -4.375 100 HB3 CYS 16 HB3 CYS 16 -3.735 -3.486 -5.207 101 HG CYS 16 HG CYS 16 -4.754 -2.220 -7.201 102 H THR 17 H THR 17 -6.175 -0.532 -4.224 103 HA THR 17 HA THR 17 -4.911 1.022 -2.119 104 HB THR 17 HB THR 17 -6.211 2.920 -3.135 105 HG1 THR 17 HG1 THR 17 -7.430 2.543 -4.930 106 HG21 THR 17 3HG2 THR 17 -4.884 3.031 -5.190 107 HG22 THR 17 1HG2 THR 17 -4.503 1.316 -5.034 108 HG23 THR 17 2HG2 THR 17 -3.915 2.461 -3.830 109 H TRP 18 H TRP 18 -7.374 -1.041 -2.164 110 HA TRP 18 HA TRP 18 -9.157 0.500 -0.440 111 HB2 TRP 18 HB2 TRP 18 -10.073 -0.808 -2.355 112 HB3 TRP 18 HB3 TRP 18 -9.477 -2.274 -1.593 113 HD1 TRP 18 HD1 TRP 18 -12.231 0.356 -1.297 114 HE1 TRP 18 HE1 TRP 18 -14.085 -0.584 0.223 115 HE3 TRP 18 HE3 TRP 18 -9.869 -3.861 0.383 116 HZ2 TRP 18 HZ2 TRP 18 -14.488 -2.795 1.924 117 HZ3 TRP 18 HZ3 TRP 18 -11.062 -5.326 1.956 118 HH2 TRP 18 HH2 TRP 18 -13.320 -4.807 2.711 119 H TYR 19 H TYR 19 -7.473 -2.636 -0.537 120 HA TYR 19 HA TYR 19 -7.942 -3.381 2.133 121 HB2 TYR 19 HB2 TYR 19 -7.202 -4.967 0.429 122 HB3 TYR 19 HB3 TYR 19 -5.670 -4.117 0.276 123 HD1 TYR 19 HD2 TYR 19 -7.741 -5.901 2.820 124 HD2 TYR 19 HD1 TYR 19 -3.842 -4.873 1.469 125 HE1 TYR 19 HE2 TYR 19 -6.766 -7.365 4.539 126 HE2 TYR 19 HE1 TYR 19 -2.854 -6.341 3.177 127 HH TYR 19 HH TYR 19 -3.429 -7.345 5.304 128 H VAL 20 H VAL 20 -5.315 -1.600 0.614 129 HA VAL 20 HA VAL 20 -3.599 -1.286 2.769 130 HB VAL 20 HB VAL 20 -4.219 0.493 0.421 131 HG11 VAL 20 2HG1 VAL 20 -2.268 1.851 1.008 132 HG12 VAL 20 1HG1 VAL 20 -2.117 0.970 2.529 133 HG13 VAL 20 3HG1 VAL 20 -3.536 1.972 2.228 134 HG21 VAL 20 3HG2 VAL 20 -1.989 -0.208 -0.298 135 HG22 VAL 20 2HG2 VAL 20 -3.040 -1.595 -0.015 136 HG23 VAL 20 1HG2 VAL 20 -1.813 -1.162 1.174 137 H TYR 21 H TYR 21 -6.486 0.582 1.917 138 HA TYR 21 HA TYR 21 -6.005 2.568 3.905 139 HB2 TYR 21 HB2 TYR 21 -7.333 2.939 1.787 140 HB3 TYR 21 HB3 TYR 21 -8.632 2.007 2.533 141 HD1 TYR 21 HD1 TYR 21 -6.527 5.027 3.019 142 HD2 TYR 21 HD2 TYR 21 -10.138 3.001 3.993 143 HE1 TYR 21 HE1 TYR 21 -7.306 7.013 4.237 144 HE2 TYR 21 HE2 TYR 21 -10.940 4.982 5.184 145 HH TYR 21 HH TYR 21 -9.641 7.991 4.885 146 H ASP 22 H ASP 22 -7.936 -0.372 3.741 147 HA ASP 22 HA ASP 22 -9.310 0.072 6.192 148 HB2 ASP 22 HB2 ASP 22 -10.205 -1.496 4.569 149 HB3 ASP 22 HB3 ASP 22 -8.766 -2.502 4.700 150 H LYS 23 H LYS 23 -6.283 -1.529 5.347 151 HA LYS 23 HA LYS 23 -5.782 -2.715 7.849 152 HB2 LYS 23 HB2 LYS 23 -3.961 -1.876 5.609 153 HB3 LYS 23 HB3 LYS 23 -3.329 -2.586 7.090 154 HG2 LYS 23 HG2 LYS 23 -5.331 -3.882 5.252 155 HG3 LYS 23 HG3 LYS 23 -3.603 -4.239 5.305 156 HD2 LYS 23 HD2 LYS 23 -5.558 -4.617 7.576 157 HD3 LYS 23 HD3 LYS 23 -4.904 -5.897 6.554 158 HE2 LYS 23 HE2 LYS 23 -2.648 -5.377 7.346 159 HE3 LYS 23 HE3 LYS 23 -3.298 -4.090 8.359 160 HZ1 LYS 23 HZ1 LYS 23 -3.835 -6.998 8.627 161 HZ2 LYS 23 HZ2 LYS 23 -4.605 -5.795 9.540 162 HZ3 LYS 23 HZ3 LYS 23 -2.935 -6.030 9.689 163 H VAL 24 H VAL 24 -5.008 0.524 6.627 164 HA VAL 24 HA VAL 24 -3.605 1.209 9.056 165 HB VAL 24 HB VAL 24 -3.488 3.495 8.178 166 HG11 VAL 24 2HG1 VAL 24 -2.149 3.007 6.179 167 HG12 VAL 24 1HG1 VAL 24 -2.815 1.375 6.139 168 HG13 VAL 24 3HG1 VAL 24 -1.807 1.884 7.495 169 HG21 VAL 24 3HG2 VAL 24 -5.147 2.440 5.884 170 HG22 VAL 24 2HG2 VAL 24 -4.372 4.022 5.945 171 HG23 VAL 24 1HG2 VAL 24 -5.660 3.627 7.083 172 H GLY 25 H GLY 25 -6.818 0.959 8.145 173 HA2 GLY 25 HA1 GLY 25 -8.656 1.100 9.541 174 HA3 GLY 25 HA2 GLY 25 -7.625 1.804 10.775 175 H GLY 26 H GLY 26 -7.957 3.075 7.519 176 HA2 GLY 26 HA1 GLY 26 -8.849 5.062 6.761 177 HA3 GLY 26 HA2 GLY 26 -9.860 5.086 8.201 178 H GLU 27 H GLU 27 -6.407 5.393 7.417 179 HA GLU 27 HA GLU 27 -6.297 7.657 9.282 180 HB2 GLU 27 HB2 GLU 27 -5.287 5.653 10.268 181 HB3 GLU 27 HB3 GLU 27 -4.211 5.511 8.889 182 HG2 GLU 27 HG2 GLU 27 -3.091 7.547 9.486 183 HG3 GLU 27 HG3 GLU 27 -4.253 7.850 10.780 184 H ILE 28 H ILE 28 -4.606 6.101 6.568 185 HA ILE 28 HA ILE 28 -3.657 8.769 5.788 186 HB ILE 28 HB ILE 28 -1.820 7.545 4.562 187 HG12 ILE 28 2HG1 ILE 28 -1.344 5.271 5.885 188 HG13 ILE 28 3HG1 ILE 28 -3.112 5.253 5.959 189 HG21 ILE 28 2HG2 ILE 28 -1.396 8.740 6.613 190 HG22 ILE 28 1HG2 ILE 28 -0.449 7.252 6.574 191 HG23 ILE 28 3HG2 ILE 28 -1.906 7.344 7.564 192 HD11 ILE 28 3HD1 ILE 28 -3.181 5.404 3.510 193 HD12 ILE 28 2HD1 ILE 28 -2.350 3.961 4.091 194 HD13 ILE 28 1HD1 ILE 28 -1.417 5.329 3.477 195 H GLY 29 H GLY 29 -4.193 9.547 3.861 196 HA2 GLY 29 HA1 GLY 29 -4.270 9.512 1.559 197 HA3 GLY 29 HA2 GLY 29 -4.219 7.761 1.608 198 H SER 30 H SER 30 -5.907 6.819 0.831 199 HA SER 30 HA SER 30 -7.868 6.433 -0.167 200 HB2 SER 30 HB2 SER 30 -9.942 7.139 0.773 201 HB3 SER 30 HB3 SER 30 -8.848 6.842 2.118 202 HG SER 30 HG SER 30 -8.453 9.216 1.990 203 H THR 31 H THR 31 -7.138 9.833 0.294 204 HA THR 31 HA THR 31 -8.376 10.566 -2.232 205 HB THR 31 HB THR 31 -7.555 12.865 -1.581 206 HG1 THR 31 HG1 THR 31 -6.999 12.862 0.819 207 HG21 THR 31 3HG2 THR 31 -9.195 13.160 0.219 208 HG22 THR 31 1HG2 THR 31 -9.253 11.413 0.462 209 HG23 THR 31 2HG2 THR 31 -9.833 12.116 -1.049 210 H TRP 32 H TRP 32 -5.795 8.901 -1.688 211 HA TRP 32 HA TRP 32 -3.676 10.435 -2.813 212 HB2 TRP 32 HB2 TRP 32 -2.483 8.211 -2.873 213 HB3 TRP 32 HB3 TRP 32 -3.063 8.721 -1.289 214 HD1 TRP 32 HD1 TRP 32 -5.031 6.987 -4.084 215 HE1 TRP 32 HE1 TRP 32 -6.038 4.850 -3.146 216 HE3 TRP 32 HE3 TRP 32 -2.947 7.085 0.567 217 HZ2 TRP 32 HZ2 TRP 32 -5.966 3.345 -0.749 218 HZ3 TRP 32 HZ3 TRP 32 -3.465 5.250 2.130 219 HH2 TRP 32 HH2 TRP 32 -4.942 3.420 1.480 220 H GLY 33 H GLY 33 -6.270 8.727 -4.119 221 HA2 GLY 33 HA1 GLY 33 -6.905 8.132 -6.209 222 HA3 GLY 33 HA2 GLY 33 -5.881 9.447 -6.760 223 H ASN 34 H ASN 34 -5.901 6.060 -5.839 224 HA ASN 34 HA ASN 34 -4.898 4.230 -6.621 225 HB2 ASN 34 HB2 ASN 34 -4.213 5.843 -9.070 226 HB3 ASN 34 HB3 ASN 34 -4.298 4.091 -8.938 227 HD21 ASN 34 1HD2 ASN 34 -6.391 3.161 -8.434 228 HD22 ASN 34 2HD2 ASN 34 -7.820 3.938 -9.012 229 H ALA 35 H ALA 35 -2.801 3.319 -7.582 230 HA ALA 35 HA ALA 35 -0.964 3.927 -5.511 231 HB1 ALA 35 HB1 ALA 35 0.276 2.019 -6.328 232 HB2 ALA 35 HB2 ALA 35 -1.450 1.657 -6.256 233 HB3 ALA 35 HB3 ALA 35 -0.686 2.008 -7.807 234 H ASN 36 H ASN 36 -0.861 4.470 -9.019 235 HA ASN 36 HA ASN 36 1.928 5.184 -8.911 236 HB2 ASN 36 HB2 ASN 36 1.666 5.758 -11.315 237 HB3 ASN 36 HB3 ASN 36 1.164 4.116 -10.919 238 HD21 ASN 36 1HD2 ASN 36 0.017 4.161 -12.908 239 HD22 ASN 36 2HD2 ASN 36 -1.533 4.920 -13.017 240 H ASN 37 H ASN 37 -0.761 6.788 -7.991 241 HA ASN 37 HA ASN 37 0.493 9.407 -8.502 242 HB2 ASN 37 HB2 ASN 37 -1.772 9.053 -9.542 243 HB3 ASN 37 HB3 ASN 37 -2.428 8.843 -7.927 244 HD21 ASN 37 1HD2 ASN 37 -2.823 10.602 -6.672 245 HD22 ASN 37 2HD2 ASN 37 -2.660 12.235 -7.245 246 H TRP 38 H TRP 38 0.461 7.123 -6.368 247 HA TRP 38 HA TRP 38 -0.791 7.914 -4.046 248 HB2 TRP 38 HB2 TRP 38 1.087 5.912 -4.820 249 HB3 TRP 38 HB3 TRP 38 1.630 6.648 -3.308 250 HD1 TRP 38 HD1 TRP 38 -1.962 5.769 -4.470 251 HE1 TRP 38 HE1 TRP 38 -3.034 4.347 -2.642 252 HE3 TRP 38 HE3 TRP 38 2.047 5.363 -1.355 253 HZ2 TRP 38 HZ2 TRP 38 -2.265 3.215 -0.113 254 HZ3 TRP 38 HZ3 TRP 38 1.811 4.103 0.731 255 HH2 TRP 38 HH2 TRP 38 -0.297 3.046 1.333 256 H ALA 39 H ALA 39 2.711 8.255 -4.678 257 HA ALA 39 HA ALA 39 3.288 9.644 -2.343 258 HB1 ALA 39 HB1 ALA 39 5.389 10.283 -3.416 259 HB2 ALA 39 HB2 ALA 39 5.004 8.587 -3.708 260 HB3 ALA 39 HB3 ALA 39 4.745 9.784 -4.979 261 H ALA 40 H ALA 40 2.368 10.876 -5.517 262 HA ALA 40 HA ALA 40 2.816 13.602 -5.034 263 HB1 ALA 40 HB1 ALA 40 1.320 13.994 -6.919 264 HB2 ALA 40 HB2 ALA 40 2.438 12.673 -7.262 265 HB3 ALA 40 HB3 ALA 40 0.764 12.323 -6.831 266 H ALA 41 H ALA 41 -0.219 11.741 -4.812 267 HA ALA 41 HA ALA 41 -1.724 13.912 -3.767 268 HB1 ALA 41 HB1 ALA 41 -2.775 12.073 -4.972 269 HB2 ALA 41 HB2 ALA 41 -2.304 10.942 -3.701 270 HB3 ALA 41 HB3 ALA 41 -3.462 12.229 -3.356 271 H ALA 42 H ALA 42 0.046 11.260 -2.325 272 HA ALA 42 HA ALA 42 -0.908 11.473 0.318 273 HB1 ALA 42 HB1 ALA 42 1.732 10.462 -0.724 274 HB2 ALA 42 HB2 ALA 42 1.113 10.206 0.906 275 HB3 ALA 42 HB3 ALA 42 0.264 9.518 -0.477 276 H GLN 43 H GLN 43 1.989 12.850 -1.245 277 HA GLN 43 HA GLN 43 2.963 14.135 1.073 278 HB2 GLN 43 HB2 GLN 43 3.456 14.657 -1.858 279 HB3 GLN 43 HB3 GLN 43 4.295 15.513 -0.573 280 HG2 GLN 43 HG2 GLN 43 5.271 13.462 0.220 281 HG3 GLN 43 HG3 GLN 43 4.338 12.529 -0.952 282 HE21 GLN 43 1HE2 GLN 43 7.246 12.789 -0.540 283 HE22 GLN 43 2HE2 GLN 43 7.884 13.288 -2.076 284 H GLY 44 H GLY 44 0.588 15.038 -1.312 285 HA2 GLY 44 HA1 GLY 44 0.407 17.785 -0.521 286 HA3 GLY 44 HA2 GLY 44 -0.771 16.898 -1.479 287 H ALA 45 H ALA 45 -0.919 14.805 0.650 288 HA ALA 45 HA ALA 45 -2.954 16.096 2.255 289 HB1 ALA 45 HB1 ALA 45 -3.538 13.875 2.992 290 HB2 ALA 45 HB2 ALA 45 -3.316 13.860 1.243 291 HB3 ALA 45 HB3 ALA 45 -2.057 13.217 2.297 292 H GLY 46 H GLY 46 0.337 15.621 2.505 293 HA2 GLY 46 HA1 GLY 46 1.580 16.564 4.287 294 HA3 GLY 46 HA2 GLY 46 0.213 16.281 5.353 295 H PHE 47 H PHE 47 1.948 14.044 3.190 296 HA PHE 47 HA PHE 47 2.505 12.370 5.553 297 HB2 PHE 47 HB2 PHE 47 2.376 11.562 2.639 298 HB3 PHE 47 HB3 PHE 47 2.775 10.488 3.969 299 HD1 PHE 47 HD1 PHE 47 0.282 12.636 5.147 300 HD2 PHE 47 HD2 PHE 47 0.876 9.309 2.566 301 HE1 PHE 47 HE1 PHE 47 -2.101 12.058 5.341 302 HE2 PHE 47 HE2 PHE 47 -1.503 8.721 2.744 303 HZ PHE 47 HZ PHE 47 -2.993 10.110 4.137 304 H THR 48 H THR 48 4.542 11.234 5.587 305 HA THR 48 HA THR 48 6.698 12.695 4.202 306 HB THR 48 HB THR 48 7.027 10.960 6.652 307 HG1 THR 48 HG1 THR 48 5.754 12.470 7.531 308 HG21 THR 48 3HG2 THR 48 8.643 13.266 5.553 309 HG22 THR 48 1HG2 THR 48 9.060 11.559 5.412 310 HG23 THR 48 2HG2 THR 48 9.025 12.329 6.998 311 H VAL 49 H VAL 49 7.593 11.568 2.538 312 HA VAL 49 HA VAL 49 7.498 8.633 2.711 313 HB VAL 49 HB VAL 49 7.248 8.425 0.460 314 HG11 VAL 49 2HG1 VAL 49 6.122 11.182 0.914 315 HG12 VAL 49 1HG1 VAL 49 5.314 9.647 1.235 316 HG13 VAL 49 3HG1 VAL 49 5.702 10.110 -0.422 317 HG21 VAL 49 3HG2 VAL 49 8.006 9.932 -1.263 318 HG22 VAL 49 2HG2 VAL 49 9.330 9.555 -0.161 319 HG23 VAL 49 1HG2 VAL 49 8.507 11.114 -0.048 320 H ASN 50 H ASN 50 9.316 7.497 2.852 321 HA ASN 50 HA ASN 50 11.880 8.880 2.361 322 HB2 ASN 50 HB2 ASN 50 11.449 6.676 4.385 323 HB3 ASN 50 HB3 ASN 50 12.882 7.672 4.182 324 HD21 ASN 50 1HD2 ASN 50 11.051 7.126 6.446 325 HD22 ASN 50 2HD2 ASN 50 10.589 8.688 7.027 326 H HIS 51 H HIS 51 9.921 6.868 1.040 327 HA HIS 51 HA HIS 51 9.824 4.797 0.143 328 HB2 HIS 51 HB2 HIS 51 11.376 4.523 -1.764 329 HB3 HIS 51 HB3 HIS 51 10.668 6.125 -1.689 330 HD1 HIS 51 HD1 HIS 51 13.851 4.366 -1.917 331 HD2 HIS 51 HD2 HIS 51 12.567 8.166 -0.820 332 HE1 HIS 51 HE1 HIS 51 15.902 5.823 -1.993 333 HE2 HIS 51 HE2 HIS 51 15.054 8.155 -1.541 334 H THR 52 H THR 52 10.189 3.807 2.227 335 HA THR 52 HA THR 52 12.064 1.660 1.968 336 HB THR 52 HB THR 52 12.314 3.462 4.405 337 HG1 THR 52 HG1 THR 52 13.558 3.563 1.998 338 HG21 THR 52 3HG2 THR 52 14.177 1.977 5.003 339 HG22 THR 52 1HG2 THR 52 13.829 0.972 3.597 340 HG23 THR 52 2HG2 THR 52 12.654 1.094 4.905 341 HA PRO 53 HA PRO 53 8.025 0.328 3.584 342 HB2 PRO 53 HB2 PRO 53 8.688 -2.359 3.463 343 HB3 PRO 53 HB3 PRO 53 7.972 -1.427 2.144 344 HG2 PRO 53 HG2 PRO 53 10.842 -2.127 2.633 345 HG3 PRO 53 HG3 PRO 53 9.934 -2.119 1.108 346 HD2 PRO 53 HD2 PRO 53 11.605 -0.137 1.711 347 HD3 PRO 53 HD3 PRO 53 10.053 0.189 0.903 348 H SER 54 H SER 54 7.258 -0.613 5.471 349 HA SER 54 HA SER 54 8.953 -1.722 7.475 350 HB2 SER 54 HB2 SER 54 9.605 0.686 7.617 351 HB3 SER 54 HB3 SER 54 7.919 1.096 7.928 352 HG SER 54 HG SER 54 9.655 0.583 9.729 353 H LYS 55 H LYS 55 7.689 -2.164 9.469 354 HA LYS 55 HA LYS 55 5.151 -3.206 8.833 355 HB2 LYS 55 HB2 LYS 55 6.473 -4.202 10.593 356 HB3 LYS 55 HB3 LYS 55 6.475 -2.700 11.504 357 HG2 LYS 55 HG2 LYS 55 4.033 -2.911 11.786 358 HG3 LYS 55 HG3 LYS 55 4.099 -4.466 10.960 359 HD2 LYS 55 HD2 LYS 55 5.627 -3.819 13.480 360 HD3 LYS 55 HD3 LYS 55 4.054 -4.613 13.459 361 HE2 LYS 55 HE2 LYS 55 5.483 -6.415 13.591 362 HE3 LYS 55 HE3 LYS 55 5.228 -6.290 11.851 363 HZ1 LYS 55 HZ1 LYS 55 7.595 -5.428 13.415 364 HZ2 LYS 55 HZ2 LYS 55 7.331 -4.921 11.823 365 HZ3 LYS 55 HZ3 LYS 55 7.522 -6.566 12.161 366 H GLY 56 H GLY 56 3.184 -2.300 8.822 367 HA2 GLY 56 HA1 GLY 56 1.448 -0.936 9.603 368 HA3 GLY 56 HA2 GLY 56 2.612 -0.047 10.575 369 H ALA 57 H ALA 57 3.670 -0.505 7.417 370 HA ALA 57 HA ALA 57 2.582 2.093 6.562 371 HB1 ALA 57 HB1 ALA 57 4.938 2.332 7.197 372 HB2 ALA 57 HB2 ALA 57 5.370 1.071 6.040 373 HB3 ALA 57 HB3 ALA 57 4.689 2.594 5.469 374 H ILE 58 H ILE 58 3.475 2.142 3.962 375 HA ILE 58 HA ILE 58 2.402 -0.340 2.822 376 HB ILE 58 HB ILE 58 1.514 2.403 1.929 377 HG12 ILE 58 2HG1 ILE 58 -0.772 1.390 2.738 378 HG13 ILE 58 3HG1 ILE 58 0.252 0.400 3.767 379 HG21 ILE 58 2HG2 ILE 58 -0.111 1.142 0.571 380 HG22 ILE 58 1HG2 ILE 58 0.662 -0.360 1.080 381 HG23 ILE 58 3HG2 ILE 58 1.561 0.818 0.119 382 HD11 ILE 58 3HD1 ILE 58 1.188 2.409 4.778 383 HD12 ILE 58 2HD1 ILE 58 -0.570 2.367 4.936 384 HD13 ILE 58 1HD1 ILE 58 0.185 3.409 3.727 385 H LEU 59 H LEU 59 3.225 -0.957 0.926 386 HA LEU 59 HA LEU 59 5.654 0.296 -0.020 387 HB2 LEU 59 HB2 LEU 59 5.074 -2.216 0.257 388 HB3 LEU 59 HB3 LEU 59 4.181 -2.038 -1.235 389 HG LEU 59 HG LEU 59 6.468 -1.126 -2.124 390 HD11 LEU 59 2HD1 LEU 59 7.581 -1.126 0.033 391 HD12 LEU 59 1HD1 LEU 59 8.361 -2.254 -1.076 392 HD13 LEU 59 3HD1 LEU 59 7.297 -2.861 0.192 393 HD21 LEU 59 3HD2 LEU 59 7.036 -3.418 -2.802 394 HD22 LEU 59 2HD2 LEU 59 5.316 -3.074 -2.983 395 HD23 LEU 59 1HD2 LEU 59 5.883 -4.040 -1.619 396 H GLN 60 H GLN 60 5.902 1.285 -2.071 397 HA GLN 60 HA GLN 60 3.542 1.487 -3.782 398 HB2 GLN 60 HB2 GLN 60 3.408 3.335 -2.119 399 HB3 GLN 60 HB3 GLN 60 4.964 3.924 -2.678 400 HG2 GLN 60 HG2 GLN 60 2.692 3.637 -4.595 401 HG3 GLN 60 HG3 GLN 60 2.776 5.024 -3.513 402 HE21 GLN 60 1HE2 GLN 60 2.896 4.995 -6.394 403 HE22 GLN 60 2HE2 GLN 60 4.414 5.709 -6.827 404 H SER 61 H SER 61 3.932 1.892 -5.882 405 HA SER 61 HA SER 61 6.555 2.641 -6.831 406 HB2 SER 61 HB2 SER 61 6.795 0.209 -6.548 407 HB3 SER 61 HB3 SER 61 5.342 -0.051 -7.513 408 HG SER 61 HG SER 61 7.606 -0.130 -8.518 409 H SER 62 H SER 62 6.538 2.878 -9.216 410 HA SER 62 HA SER 62 3.828 3.438 -10.234 411 HB2 SER 62 HB2 SER 62 6.401 4.775 -11.105 412 HB3 SER 62 HB3 SER 62 4.754 5.248 -11.525 413 HG SER 62 HG SER 62 4.894 6.494 -9.838 414 H GLU 63 H GLU 63 5.762 1.046 -10.320 415 HA GLU 63 HA GLU 63 6.486 0.771 -13.094 416 HB2 GLU 63 HB2 GLU 63 6.471 -1.275 -10.866 417 HB3 GLU 63 HB3 GLU 63 7.231 -1.479 -12.437 418 HG2 GLU 63 HG2 GLU 63 8.867 0.157 -11.964 419 HG3 GLU 63 HG3 GLU 63 8.002 0.708 -10.528 420 H GLY 64 H GLY 64 3.575 1.039 -12.315 421 HA2 GLY 64 HA1 GLY 64 2.613 -1.248 -13.864 422 HA3 GLY 64 HA2 GLY 64 1.925 -1.010 -12.263 423 HA PRO 65 HA PRO 65 -0.201 1.512 -15.785 424 HB2 PRO 65 HB2 PRO 65 -2.601 0.153 -15.628 425 HB3 PRO 65 HB3 PRO 65 -1.343 -0.163 -16.827 426 HG2 PRO 65 HG2 PRO 65 -1.941 -1.605 -14.282 427 HG3 PRO 65 HG3 PRO 65 -1.456 -2.261 -15.857 428 HD2 PRO 65 HD2 PRO 65 0.286 -2.030 -13.819 429 HD3 PRO 65 HD3 PRO 65 0.784 -1.780 -15.506 430 H PHE 66 H PHE 66 -1.395 0.135 -12.758 431 HA PHE 66 HA PHE 66 -2.655 2.719 -12.142 432 HB2 PHE 66 HB2 PHE 66 -3.105 -0.032 -10.973 433 HB3 PHE 66 HB3 PHE 66 -3.779 1.435 -10.276 434 HD1 PHE 66 HD1 PHE 66 -5.438 2.758 -11.556 435 HD2 PHE 66 HD2 PHE 66 -4.072 -1.053 -12.873 436 HE1 PHE 66 HE1 PHE 66 -7.377 2.586 -13.066 437 HE2 PHE 66 HE2 PHE 66 -6.005 -1.231 -14.382 438 HZ PHE 66 HZ PHE 66 -7.660 0.591 -14.482 439 H GLY 67 H GLY 67 0.182 1.249 -11.805 440 HA2 GLY 67 HA1 GLY 67 1.948 2.102 -10.453 441 HA3 GLY 67 HA2 GLY 67 0.761 2.544 -9.234 442 H HIS 68 H HIS 68 1.848 1.470 -7.574 443 HA HIS 68 HA HIS 68 1.029 -1.274 -7.324 444 HB2 HIS 68 HB2 HIS 68 3.292 -1.357 -8.521 445 HB3 HIS 68 HB3 HIS 68 3.989 -0.724 -7.021 446 HD1 HIS 68 HD1 HIS 68 5.180 -3.271 -7.567 447 HD2 HIS 68 HD2 HIS 68 1.395 -3.094 -5.840 448 HE1 HIS 68 HE1 HIS 68 4.831 -5.502 -6.448 449 HE2 HIS 68 HE2 HIS 68 2.587 -5.322 -5.288 450 H VAL 69 H VAL 69 -0.139 -0.463 -5.463 451 HA VAL 69 HA VAL 69 1.712 0.042 -3.250 452 HB VAL 69 HB VAL 69 -0.185 0.979 -1.998 453 HG11 VAL 69 2HG1 VAL 69 1.336 2.424 -3.185 454 HG12 VAL 69 1HG1 VAL 69 -0.300 3.070 -3.295 455 HG13 VAL 69 3HG1 VAL 69 0.410 2.227 -4.671 456 HG21 VAL 69 3HG2 VAL 69 -2.251 1.566 -3.151 457 HG22 VAL 69 2HG2 VAL 69 -2.014 -0.182 -3.163 458 HG23 VAL 69 1HG2 VAL 69 -1.679 0.763 -4.615 459 H ALA 70 H ALA 70 1.872 -1.282 -1.675 460 HA ALA 70 HA ALA 70 -0.134 -3.366 -1.239 461 HB1 ALA 70 HB1 ALA 70 2.814 -3.860 -1.658 462 HB2 ALA 70 HB2 ALA 70 1.657 -5.064 -1.086 463 HB3 ALA 70 HB3 ALA 70 1.500 -4.388 -2.707 464 H TYR 71 H TYR 71 -0.533 -3.531 0.893 465 HA TYR 71 HA TYR 71 0.790 -1.702 2.619 466 HB2 TYR 71 HB2 TYR 71 -1.511 -1.994 3.014 467 HB3 TYR 71 HB3 TYR 71 -1.374 -3.756 3.024 468 HD1 TYR 71 HD1 TYR 71 -0.810 -0.684 4.965 469 HD2 TYR 71 HD2 TYR 71 -0.656 -4.936 4.975 470 HE1 TYR 71 HE1 TYR 71 -0.571 -0.659 7.412 471 HE2 TYR 71 HE2 TYR 71 -0.417 -4.920 7.425 472 HH TYR 71 HH TYR 71 0.319 -3.428 9.199 473 H VAL 72 H VAL 72 2.343 -2.015 4.083 474 HA VAL 72 HA VAL 72 3.794 -4.533 3.927 475 HB VAL 72 HB VAL 72 4.612 -2.031 5.406 476 HG11 VAL 72 2HG1 VAL 72 5.870 -3.946 6.088 477 HG12 VAL 72 1HG1 VAL 72 6.898 -2.966 5.039 478 HG13 VAL 72 3HG1 VAL 72 6.141 -4.431 4.414 479 HG21 VAL 72 3HG2 VAL 72 4.201 -1.454 3.077 480 HG22 VAL 72 2HG2 VAL 72 5.224 -2.791 2.551 481 HG23 VAL 72 1HG2 VAL 72 5.929 -1.432 3.426 482 H GLU 73 H GLU 73 3.443 -6.064 5.365 483 HA GLU 73 HA GLU 73 2.015 -5.472 7.805 484 HB2 GLU 73 HB2 GLU 73 2.951 -8.037 6.527 485 HB3 GLU 73 HB3 GLU 73 2.173 -7.989 8.103 486 HG2 GLU 73 HG2 GLU 73 0.848 -6.731 5.739 487 HG3 GLU 73 HG3 GLU 73 0.761 -8.475 5.987 488 H SER 74 H SER 74 5.281 -6.199 6.820 489 HA SER 74 HA SER 74 6.409 -5.362 9.248 490 HB2 SER 74 HB2 SER 74 5.430 -7.531 10.047 491 HB3 SER 74 HB3 SER 74 6.460 -8.373 8.891 492 HG SER 74 HG SER 74 7.922 -8.315 10.391 493 H VAL 75 H VAL 75 8.682 -5.320 9.167 494 HA VAL 75 HA VAL 75 9.871 -6.235 6.640 495 HB VAL 75 HB VAL 75 10.217 -3.850 6.953 496 HG11 VAL 75 2HG1 VAL 75 11.466 -2.949 8.853 497 HG12 VAL 75 1HG1 VAL 75 11.507 -4.553 9.587 498 HG13 VAL 75 3HG1 VAL 75 9.968 -3.720 9.372 499 HG21 VAL 75 3HG2 VAL 75 12.671 -3.750 6.879 500 HG22 VAL 75 2HG2 VAL 75 12.042 -5.090 5.920 501 HG23 VAL 75 1HG2 VAL 75 12.751 -5.398 7.506 502 H ASN 76 H ASN 76 11.406 -7.771 6.679 503 HA ASN 76 HA ASN 76 11.734 -9.263 9.097 504 HB2 ASN 76 HB2 ASN 76 12.950 -9.564 6.345 505 HB3 ASN 76 HB3 ASN 76 13.254 -10.685 7.669 506 HD21 ASN 76 1HD2 ASN 76 11.973 -11.040 5.049 507 HD22 ASN 76 2HD2 ASN 76 10.411 -11.709 5.393 508 H SER 77 H SER 77 13.658 -9.626 10.234 509 HA SER 77 HA SER 77 15.297 -7.374 10.585 510 HB2 SER 77 HB2 SER 77 16.705 -9.075 11.943 511 HB3 SER 77 HB3 SER 77 15.064 -8.718 12.475 512 HG SER 77 HG SER 77 15.264 -10.805 10.669 513 H ASP 78 H ASP 78 15.553 -10.059 8.423 514 HA ASP 78 HA ASP 78 18.376 -9.801 7.968 515 HB2 ASP 78 HB2 ASP 78 18.037 -11.371 6.113 516 HB3 ASP 78 HB3 ASP 78 17.280 -11.950 7.591 517 H GLY 79 H GLY 79 15.605 -8.124 6.845 518 HA2 GLY 79 HA1 GLY 79 16.332 -5.946 5.822 519 HA3 GLY 79 HA2 GLY 79 17.251 -6.931 4.698 520 H SER 80 H SER 80 15.039 -8.935 4.560 521 HA SER 80 HA SER 80 13.695 -7.737 2.340 522 HB2 SER 80 HB2 SER 80 12.468 -9.944 2.271 523 HB3 SER 80 HB3 SER 80 14.226 -10.077 2.208 524 HG SER 80 HG SER 80 14.274 -10.821 4.253 525 H VAL 81 H VAL 81 11.416 -7.416 2.094 526 HA VAL 81 HA VAL 81 10.059 -6.911 4.659 527 HB VAL 81 HB VAL 81 8.643 -5.291 3.160 528 HG11 VAL 81 2HG1 VAL 81 11.441 -4.656 4.087 529 HG12 VAL 81 1HG1 VAL 81 9.974 -4.588 5.064 530 HG13 VAL 81 3HG1 VAL 81 10.192 -3.466 3.723 531 HG21 VAL 81 3HG2 VAL 81 11.246 -5.425 1.654 532 HG22 VAL 81 2HG2 VAL 81 10.004 -4.191 1.441 533 HG23 VAL 81 1HG2 VAL 81 9.654 -5.874 1.041 534 H THR 82 H THR 82 8.081 -7.652 5.020 535 HA THR 82 HA THR 82 6.889 -9.398 2.990 536 HB THR 82 HB THR 82 6.488 -9.274 5.989 537 HG1 THR 82 HG1 THR 82 7.603 -11.358 4.392 538 HG21 THR 82 3HG2 THR 82 5.117 -11.289 5.723 539 HG22 THR 82 1HG2 THR 82 5.293 -11.189 3.971 540 HG23 THR 82 2HG2 THR 82 4.412 -9.932 4.842 541 H ILE 83 H ILE 83 5.110 -8.740 1.968 542 HA ILE 83 HA ILE 83 3.530 -6.554 3.169 543 HB ILE 83 HB ILE 83 3.090 -5.706 0.900 544 HG12 ILE 83 2HG1 ILE 83 5.228 -7.650 -0.003 545 HG13 ILE 83 3HG1 ILE 83 3.504 -7.908 -0.244 546 HG21 ILE 83 2HG2 ILE 83 6.009 -5.901 1.629 547 HG22 ILE 83 1HG2 ILE 83 4.857 -4.695 2.204 548 HG23 ILE 83 3HG2 ILE 83 5.317 -4.734 0.503 549 HD11 ILE 83 3HD1 ILE 83 4.525 -7.062 -2.256 550 HD12 ILE 83 2HD1 ILE 83 5.147 -5.661 -1.385 551 HD13 ILE 83 1HD1 ILE 83 3.409 -5.867 -1.598 552 H SER 84 H SER 84 1.317 -6.404 2.423 553 HA SER 84 HA SER 84 0.228 -8.832 1.194 554 HB2 SER 84 HB2 SER 84 -0.914 -7.466 3.646 555 HB3 SER 84 HB3 SER 84 -1.671 -8.799 2.775 556 HG SER 84 HG SER 84 0.904 -9.364 3.420 557 H GLU 85 H GLU 85 -0.515 -8.140 -0.662 558 HA GLU 85 HA GLU 85 -2.087 -5.652 -0.753 559 HB2 GLU 85 HB2 GLU 85 -1.505 -5.653 -3.217 560 HB3 GLU 85 HB3 GLU 85 -0.168 -5.330 -2.121 561 HG2 GLU 85 HG2 GLU 85 0.619 -7.602 -2.361 562 HG3 GLU 85 HG3 GLU 85 -0.769 -8.003 -3.365 563 H MET 86 H MET 86 -4.188 -6.117 -0.812 564 HA MET 86 HA MET 86 -5.148 -8.635 -1.782 565 HB2 MET 86 HB2 MET 86 -6.241 -7.518 0.106 566 HB3 MET 86 HB3 MET 86 -6.671 -6.167 -0.933 567 HG2 MET 86 HG2 MET 86 -8.151 -7.511 -2.210 568 HG3 MET 86 HG3 MET 86 -7.581 -8.982 -1.425 569 HE1 MET 86 HE1 MET 86 -9.052 -8.707 2.151 570 HE2 MET 86 HE2 MET 86 -8.248 -9.753 0.980 571 HE3 MET 86 HE3 MET 86 -7.428 -8.314 1.588 572 H ASN 87 H ASN 87 -5.250 -9.072 -3.841 573 HA ASN 87 HA ASN 87 -5.969 -9.053 -5.984 574 HB2 ASN 87 HB2 ASN 87 -8.054 -8.085 -5.480 575 HB3 ASN 87 HB3 ASN 87 -7.338 -6.522 -5.113 576 HD21 ASN 87 1HD2 ASN 87 -6.965 -5.090 -6.743 577 HD22 ASN 87 2HD2 ASN 87 -7.468 -5.336 -8.376 578 H TYR 88 H TYR 88 -4.933 -5.770 -5.052 579 HA TYR 88 HA TYR 88 -3.570 -4.266 -6.062 580 HB2 TYR 88 HB2 TYR 88 -1.736 -5.749 -5.898 581 HB3 TYR 88 HB3 TYR 88 -2.368 -6.806 -7.156 582 HD1 TYR 88 HD1 TYR 88 -1.669 -3.121 -7.001 583 HD2 TYR 88 HD2 TYR 88 -0.959 -6.829 -8.979 584 HE1 TYR 88 HE1 TYR 88 -0.313 -1.958 -8.691 585 HE2 TYR 88 HE2 TYR 88 0.397 -5.673 -10.669 586 HH TYR 88 HH TYR 88 1.275 -2.315 -10.345 587 H SER 89 H SER 89 -3.661 -6.520 -8.776 588 HA SER 89 HA SER 89 -5.804 -5.200 -10.126 589 HB2 SER 89 HB2 SER 89 -2.996 -4.870 -11.234 590 HB3 SER 89 HB3 SER 89 -4.478 -4.479 -12.104 591 HG SER 89 HG SER 89 -4.512 -3.268 -9.715 592 H GLY 90 H GLY 90 -6.571 -7.376 -10.102 593 HA2 GLY 90 HA1 GLY 90 -6.246 -8.858 -12.372 594 HA3 GLY 90 HA2 GLY 90 -4.999 -9.468 -11.296 595 H GLY 91 H GLY 91 -5.690 -10.331 -9.201 596 HA2 GLY 91 HA1 GLY 91 -8.210 -11.795 -9.575 597 HA3 GLY 91 HA2 GLY 91 -6.895 -12.261 -8.506 598 HA PRO 92 HA PRO 92 -10.090 -8.921 -6.666 599 HB2 PRO 92 HB2 PRO 92 -12.197 -11.024 -6.776 600 HB3 PRO 92 HB3 PRO 92 -12.336 -9.273 -6.974 601 HG2 PRO 92 HG2 PRO 92 -12.475 -10.875 -9.088 602 HG3 PRO 92 HG3 PRO 92 -11.607 -9.330 -9.177 603 HD2 PRO 92 HD2 PRO 92 -10.519 -12.105 -8.918 604 HD3 PRO 92 HD3 PRO 92 -9.905 -10.738 -9.873 605 H PHE 93 H PHE 93 -9.437 -8.919 -4.658 606 HA PHE 93 HA PHE 93 -9.218 -9.394 -2.474 607 HB2 PHE 93 HB2 PHE 93 -11.131 -11.628 -3.113 608 HB3 PHE 93 HB3 PHE 93 -10.466 -11.352 -1.503 609 HD1 PHE 93 HD2 PHE 93 -12.407 -9.680 -4.205 610 HD2 PHE 93 HD1 PHE 93 -11.481 -9.857 -0.054 611 HE1 PHE 93 HE2 PHE 93 -14.186 -8.046 -3.742 612 HE2 PHE 93 HE1 PHE 93 -13.257 -8.221 0.416 613 HZ PHE 93 HZ PHE 93 -14.611 -7.313 -1.432 614 H SER 94 H SER 94 -7.783 -11.055 -4.826 615 HA SER 94 HA SER 94 -6.546 -13.142 -3.330 616 HB2 SER 94 HB2 SER 94 -5.529 -11.596 -5.734 617 HB3 SER 94 HB3 SER 94 -4.728 -13.018 -5.046 618 HG SER 94 HG SER 94 -7.059 -13.923 -5.391 619 H VAL 95 H VAL 95 -6.093 -12.193 -1.315 620 HA VAL 95 HA VAL 95 -4.467 -9.918 -1.041 621 HB VAL 95 HB VAL 95 -5.759 -10.575 0.847 622 HG11 VAL 95 2HG1 VAL 95 -5.957 -12.939 0.473 623 HG12 VAL 95 1HG1 VAL 95 -5.343 -12.654 2.102 624 HG13 VAL 95 3HG1 VAL 95 -4.246 -13.175 0.824 625 HG21 VAL 95 3HG2 VAL 95 -4.105 -10.604 2.634 626 HG22 VAL 95 2HG2 VAL 95 -3.628 -9.492 1.350 627 HG23 VAL 95 1HG2 VAL 95 -2.854 -11.072 1.483 628 H SER 96 H SER 96 -2.699 -9.986 -2.308 629 HA SER 96 HA SER 96 -1.155 -12.366 -2.663 630 HB2 SER 96 HB2 SER 96 -1.559 -10.791 -4.512 631 HB3 SER 96 HB3 SER 96 -0.667 -9.542 -3.645 632 HG SER 96 HG SER 96 0.796 -10.416 -4.992 633 H SER 97 H SER 97 0.395 -13.023 -1.444 634 HA SER 97 HA SER 97 1.754 -11.143 0.349 635 HB2 SER 97 HB2 SER 97 1.810 -14.166 0.255 636 HB3 SER 97 HB3 SER 97 2.665 -13.175 1.437 637 HG SER 97 HG SER 97 0.889 -13.135 2.531 638 H ARG 98 H ARG 98 3.569 -10.230 -0.347 639 HA ARG 98 HA ARG 98 5.377 -11.817 -2.058 640 HB2 ARG 98 HB2 ARG 98 5.181 -8.804 -2.063 641 HB3 ARG 98 HB3 ARG 98 6.130 -9.807 -3.145 642 HG2 ARG 98 HG2 ARG 98 3.983 -10.742 -4.021 643 HG3 ARG 98 HG3 ARG 98 3.142 -9.523 -3.060 644 HD2 ARG 98 HD2 ARG 98 4.669 -7.828 -4.227 645 HD3 ARG 98 HD3 ARG 98 5.015 -9.125 -5.369 646 HE ARG 98 HE ARG 98 2.328 -8.005 -4.886 647 HH11 ARG 98 2HH1 ARG 98 4.715 -9.431 -7.002 648 HH12 ARG 98 1HH1 ARG 98 3.726 -9.311 -8.423 649 HH21 ARG 98 2HH2 ARG 98 1.011 -7.833 -6.727 650 HH22 ARG 98 1HH2 ARG 98 1.596 -8.436 -8.260 651 H THR 99 H THR 99 7.680 -11.177 -1.873 652 HA THR 99 HA THR 99 8.343 -9.976 0.726 653 HB THR 99 HB THR 99 9.793 -12.370 -0.424 654 HG1 THR 99 HG1 THR 99 7.471 -12.559 0.540 655 HG21 THR 99 3HG2 THR 99 9.920 -11.017 2.275 656 HG22 THR 99 1HG2 THR 99 11.150 -10.928 1.013 657 HG23 THR 99 2HG2 THR 99 10.813 -12.465 1.812 658 H ILE 100 H ILE 100 9.357 -8.147 0.201 659 HA ILE 100 HA ILE 100 10.785 -7.976 -2.340 660 HB ILE 100 HB ILE 100 10.274 -5.772 -0.330 661 HG12 ILE 100 2HG1 ILE 100 8.673 -4.930 -2.139 662 HG13 ILE 100 3HG1 ILE 100 8.732 -6.564 -2.795 663 HG21 ILE 100 2HG2 ILE 100 12.198 -5.367 -1.742 664 HG22 ILE 100 1HG2 ILE 100 10.882 -4.266 -2.148 665 HG23 ILE 100 3HG2 ILE 100 11.221 -5.654 -3.183 666 HD11 ILE 100 3HD1 ILE 100 7.882 -5.903 0.005 667 HD12 ILE 100 2HD1 ILE 100 7.760 -7.460 -0.812 668 HD13 ILE 100 1HD1 ILE 100 6.778 -6.099 -1.354 669 H SER 101 H SER 101 12.938 -8.180 -2.444 670 HA SER 101 HA SER 101 14.590 -8.301 -0.119 671 HB2 SER 101 HB2 SER 101 15.165 -9.454 -2.235 672 HB3 SER 101 HB3 SER 101 15.363 -7.891 -3.027 673 HG SER 101 HG SER 101 17.328 -8.960 -2.220 674 H ALA 102 H ALA 102 16.077 -6.751 0.651 675 HA ALA 102 HA ALA 102 15.286 -4.140 0.882 676 HB1 ALA 102 HB1 ALA 102 18.116 -5.178 0.976 677 HB2 ALA 102 HB2 ALA 102 17.565 -3.636 1.633 678 HB3 ALA 102 HB3 ALA 102 16.966 -5.148 2.314 679 H SER 103 H SER 103 17.194 -5.536 -1.696 680 HA SER 103 HA SER 103 18.197 -3.271 -2.940 681 HB2 SER 103 HB2 SER 103 18.868 -5.449 -3.691 682 HB3 SER 103 HB3 SER 103 17.209 -5.890 -4.089 683 HG SER 103 HG SER 103 17.330 -4.822 -5.918 684 H GLU 104 H GLU 104 15.115 -4.926 -3.711 685 HA GLU 104 HA GLU 104 14.238 -2.712 -5.327 686 HB2 GLU 104 HB2 GLU 104 12.889 -5.264 -4.453 687 HB3 GLU 104 HB3 GLU 104 12.045 -4.020 -5.360 688 HG2 GLU 104 HG2 GLU 104 12.752 -5.658 -6.907 689 HG3 GLU 104 HG3 GLU 104 13.781 -4.249 -7.140 690 H ALA 105 H ALA 105 14.052 -3.591 -2.026 691 HA ALA 105 HA ALA 105 11.691 -2.261 -1.274 692 HB1 ALA 105 HB1 ALA 105 12.903 -3.827 0.188 693 HB2 ALA 105 HB2 ALA 105 14.194 -2.642 0.366 694 HB3 ALA 105 HB3 ALA 105 12.580 -2.287 0.982 695 H GLY 106 H GLY 106 14.996 -1.140 -1.746 696 HA2 GLY 106 HA1 GLY 106 14.598 1.515 -0.835 697 HA3 GLY 106 HA2 GLY 106 15.859 0.982 -1.936 698 H ASN 107 H ASN 107 13.628 -0.083 -3.729 699 HA ASN 107 HA ASN 107 13.367 2.271 -5.357 700 HB2 ASN 107 HB2 ASN 107 13.674 0.174 -6.487 701 HB3 ASN 107 HB3 ASN 107 12.317 -0.554 -5.635 702 HD21 ASN 107 1HD2 ASN 107 10.225 -0.180 -6.362 703 HD22 ASN 107 2HD2 ASN 107 9.896 0.592 -7.868 704 H TYR 108 H TYR 108 11.300 0.402 -3.249 705 HA TYR 108 HA TYR 108 8.874 1.648 -4.158 706 HB2 TYR 108 HB2 TYR 108 9.439 -0.180 -1.827 707 HB3 TYR 108 HB3 TYR 108 7.835 0.366 -2.299 708 HD1 TYR 108 HD1 TYR 108 7.379 -0.030 -4.932 709 HD2 TYR 108 HD2 TYR 108 10.015 -2.303 -2.500 710 HE1 TYR 108 HE1 TYR 108 7.142 -1.936 -6.470 711 HE2 TYR 108 HE2 TYR 108 9.790 -4.216 -4.026 712 HH TYR 108 HH TYR 108 8.606 -3.995 -7.087 713 H ASN 109 H ASN 109 7.842 3.340 -3.330 714 HA ASN 109 HA ASN 109 9.044 4.793 -1.109 715 HB2 ASN 109 HB2 ASN 109 6.605 5.494 -2.776 716 HB3 ASN 109 HB3 ASN 109 7.394 6.555 -1.613 717 HD21 ASN 109 1HD2 ASN 109 7.444 5.258 -4.788 718 HD22 ASN 109 2HD2 ASN 109 8.789 6.179 -5.385 719 H TYR 110 H TYR 110 7.504 5.642 0.589 720 HA TYR 110 HA TYR 110 5.129 4.084 1.049 721 HB2 TYR 110 HB2 TYR 110 5.741 3.016 3.055 722 HB3 TYR 110 HB3 TYR 110 7.101 2.731 1.984 723 HD1 TYR 110 HD1 TYR 110 8.697 5.180 2.253 724 HD2 TYR 110 HD2 TYR 110 6.541 2.987 5.185 725 HE1 TYR 110 HE1 TYR 110 10.217 6.013 3.997 726 HE2 TYR 110 HE2 TYR 110 8.049 3.817 6.930 727 HH TYR 110 HH TYR 110 10.341 4.703 7.119 728 H ILE 111 H ILE 111 3.663 5.180 2.338 729 HA ILE 111 HA ILE 111 4.565 7.904 2.956 730 HB ILE 111 HB ILE 111 2.209 8.612 2.553 731 HG12 ILE 111 2HG1 ILE 111 1.908 5.831 1.399 732 HG13 ILE 111 3HG1 ILE 111 1.187 6.359 2.910 733 HG21 ILE 111 2HG2 ILE 111 3.575 7.236 0.234 734 HG22 ILE 111 1HG2 ILE 111 3.952 8.847 0.844 735 HG23 ILE 111 3HG2 ILE 111 2.379 8.527 0.114 736 HD11 ILE 111 3HD1 ILE 111 0.566 7.372 0.137 737 HD12 ILE 111 2HD1 ILE 111 -0.079 8.082 1.623 738 HD13 ILE 111 1HD1 ILE 111 -0.483 6.420 1.192 739 H HIS 112 H HIS 112 4.816 8.181 5.043 740 HA HIS 112 HA HIS 112 2.640 7.261 6.796 741 HB2 HIS 112 HB2 HIS 112 4.270 6.857 8.593 742 HB3 HIS 112 HB3 HIS 112 4.584 5.833 7.199 743 HD1 HIS 112 HD1 HIS 112 6.153 8.236 9.447 744 HD2 HIS 112 HD2 HIS 112 6.900 6.712 5.634 745 HE1 HIS 112 HE1 HIS 112 8.560 8.761 8.959 746 HE2 HIS 112 HE2 HIS 112 9.037 7.617 6.770 747 H ILE 113 H ILE 113 2.107 8.652 8.500 748 HA ILE 113 HA ILE 113 2.217 11.369 7.867 749 HB ILE 113 HB ILE 113 1.317 11.543 10.301 750 HG12 ILE 113 2HG1 ILE 113 1.244 8.558 9.839 751 HG13 ILE 113 3HG1 ILE 113 2.101 9.402 11.124 752 HG21 ILE 113 2HG2 ILE 113 -0.904 10.854 9.546 753 HG22 ILE 113 1HG2 ILE 113 -0.174 10.009 8.183 754 HG23 ILE 113 3HG2 ILE 113 -0.049 11.764 8.300 755 HD11 ILE 113 3HD1 ILE 113 0.092 8.367 11.973 756 HD12 ILE 113 2HD1 ILE 113 -0.885 9.235 10.788 757 HD13 ILE 113 1HD1 ILE 113 -0.046 10.124 12.059 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 -27.497 4.808 9.783 2 H2 GLY 1 H2 GLY 1 -27.492 4.233 11.382 3 H3 GLY 1 H3 GLY 1 -28.053 3.242 10.127 4 HA2 GLY 1 HA2 GLY 1 -25.875 3.098 9.166 5 HA3 GLY 1 HA1 GLY 1 -25.266 4.222 10.374 6 H SER 2 H SER 2 -24.079 1.750 10.060 7 HA SER 2 HA SER 2 -25.104 0.216 12.347 8 HB2 SER 2 HB2 SER 2 -23.299 -0.659 10.081 9 HB3 SER 2 HB3 SER 2 -23.816 -1.685 11.424 10 HG SER 2 HG SER 2 -25.129 -1.066 9.146 11 H SER 3 H SER 3 -22.069 1.377 10.871 12 HA SER 3 HA SER 3 -20.957 1.935 13.454 13 HB2 SER 3 HB2 SER 3 -20.576 -0.477 13.394 14 HB3 SER 3 HB3 SER 3 -19.790 -0.334 11.823 15 HG SER 3 HG SER 3 -18.865 0.381 14.371 16 H ILE 4 H ILE 4 -19.959 3.794 13.143 17 HA ILE 4 HA ILE 4 -18.574 4.240 10.579 18 HB ILE 4 HB ILE 4 -19.507 6.317 12.568 19 HG12 ILE 4 2HG1 ILE 4 -20.645 5.572 9.864 20 HG13 ILE 4 3HG1 ILE 4 -21.379 5.187 11.419 21 HG21 ILE 4 2HG2 ILE 4 -17.553 7.059 11.351 22 HG22 ILE 4 1HG2 ILE 4 -18.978 7.918 10.763 23 HG23 ILE 4 3HG2 ILE 4 -18.294 6.595 9.818 24 HD11 ILE 4 3HD1 ILE 4 -22.451 7.099 10.369 25 HD12 ILE 4 2HD1 ILE 4 -20.908 7.956 10.332 26 HD13 ILE 4 1HD1 ILE 4 -21.662 7.560 11.876 27 H SER 5 H SER 5 -16.601 3.423 10.969 28 HA SER 5 HA SER 5 -14.850 5.013 12.630 29 HB2 SER 5 HB2 SER 5 -14.983 2.004 13.006 30 HB3 SER 5 HB3 SER 5 -13.860 3.109 13.802 31 HG SER 5 HG SER 5 -16.228 4.080 14.286 32 H HIS 6 H HIS 6 -14.795 1.866 10.957 33 HA HIS 6 HA HIS 6 -13.788 3.043 8.568 34 HB2 HIS 6 HB2 HIS 6 -11.674 1.817 8.392 35 HB3 HIS 6 HB3 HIS 6 -11.641 2.917 9.759 36 HD1 HIS 6 HD1 HIS 6 -11.201 -0.621 8.827 37 HD2 HIS 6 HD2 HIS 6 -11.793 1.589 12.312 38 HE1 HIS 6 HE1 HIS 6 -10.486 -2.114 10.719 39 HE2 HIS 6 HE2 HIS 6 -10.718 -0.711 12.802 40 H SER 7 H SER 7 -16.014 1.591 9.420 41 HA SER 7 HA SER 7 -15.808 -1.173 8.677 42 HB2 SER 7 HB2 SER 7 -18.306 0.487 9.078 43 HB3 SER 7 HB3 SER 7 -18.145 -1.266 9.226 44 HG SER 7 HG SER 7 -18.066 0.226 11.211 45 H GLY 8 H GLY 8 -14.893 0.419 6.606 46 HA2 GLY 8 HA1 GLY 8 -16.010 -0.559 4.332 47 HA3 GLY 8 HA2 GLY 8 -16.946 0.897 4.655 48 H ASN 9 H ASN 9 -16.057 1.673 2.631 49 HA ASN 9 HA ASN 9 -13.799 3.361 3.009 50 HB2 ASN 9 HB2 ASN 9 -12.778 1.041 2.557 51 HB3 ASN 9 HB3 ASN 9 -13.433 1.183 0.934 52 HD21 ASN 9 1HD2 ASN 9 -10.734 0.846 1.572 53 HD22 ASN 9 2HD2 ASN 9 -9.869 2.248 1.047 54 H LEU 10 H LEU 10 -13.475 4.712 1.072 55 HA LEU 10 HA LEU 10 -15.882 5.199 -0.407 56 HB2 LEU 10 HB2 LEU 10 -13.076 6.228 -0.826 57 HB3 LEU 10 HB3 LEU 10 -14.522 6.889 -1.571 58 HG LEU 10 HG LEU 10 -13.880 6.919 1.384 59 HD11 LEU 10 2HD1 LEU 10 -12.509 8.460 0.071 60 HD12 LEU 10 1HD1 LEU 10 -13.655 9.320 1.096 61 HD13 LEU 10 3HD1 LEU 10 -13.968 9.160 -0.632 62 HD21 LEU 10 3HD2 LEU 10 -16.265 6.723 1.041 63 HD22 LEU 10 2HD2 LEU 10 -16.234 8.037 -0.137 64 HD23 LEU 10 1HD2 LEU 10 -15.874 8.364 1.557 65 H TYR 11 H TYR 11 -13.239 3.143 -0.695 66 HA TYR 11 HA TYR 11 -13.314 2.850 -3.563 67 HB2 TYR 11 HB2 TYR 11 -11.527 2.131 -1.419 68 HB3 TYR 11 HB3 TYR 11 -11.848 0.729 -2.432 69 HD1 TYR 11 HD2 TYR 11 -11.269 0.777 -4.827 70 HD2 TYR 11 HD1 TYR 11 -10.252 3.985 -2.224 71 HE1 TYR 11 HE2 TYR 11 -9.652 1.599 -6.484 72 HE2 TYR 11 HE1 TYR 11 -8.634 4.819 -3.876 73 HH TYR 11 HH TYR 11 -8.549 3.831 -7.046 74 H THR 12 H THR 12 -13.059 0.199 -3.991 75 HA THR 12 HA THR 12 -15.821 -0.562 -3.914 76 HB THR 12 HB THR 12 -13.491 -2.155 -4.998 77 HG1 THR 12 HG1 THR 12 -14.427 0.225 -5.807 78 HG21 THR 12 3HG2 THR 12 -15.566 -3.421 -4.795 79 HG22 THR 12 1HG2 THR 12 -15.176 -3.119 -6.488 80 HG23 THR 12 2HG2 THR 12 -16.430 -2.169 -5.688 81 H ALA 13 H ALA 13 -13.407 -3.047 -3.610 82 HA ALA 13 HA ALA 13 -13.640 -3.671 -0.900 83 HB1 ALA 13 HB1 ALA 13 -15.990 -4.127 -1.419 84 HB2 ALA 13 HB2 ALA 13 -15.496 -5.250 -2.688 85 HB3 ALA 13 HB3 ALA 13 -15.138 -5.612 -0.999 86 H GLY 14 H GLY 14 -11.842 -4.778 -0.555 87 HA2 GLY 14 HA1 GLY 14 -10.190 -6.357 -0.797 88 HA3 GLY 14 HA2 GLY 14 -11.155 -7.095 -2.066 89 H GLN 15 H GLN 15 -10.287 -3.744 -2.286 90 HA GLN 15 HA GLN 15 -8.593 -4.377 -4.589 91 HB2 GLN 15 HB2 GLN 15 -9.641 -1.696 -3.652 92 HB3 GLN 15 HB3 GLN 15 -8.805 -2.007 -5.165 93 HG2 GLN 15 HG2 GLN 15 -11.536 -2.970 -4.353 94 HG3 GLN 15 HG3 GLN 15 -11.134 -1.812 -5.619 95 HE21 GLN 15 1HE2 GLN 15 -10.217 -2.578 -7.556 96 HE22 GLN 15 2HE2 GLN 15 -10.346 -4.234 -8.025 97 H CYS 16 H CYS 16 -6.584 -2.967 -4.860 98 HA CYS 16 HA CYS 16 -4.852 -3.465 -2.707 99 HB2 CYS 16 HB2 CYS 16 -3.203 -2.069 -3.943 100 HB3 CYS 16 HB3 CYS 16 -3.952 -3.317 -4.928 101 HG CYS 16 HG CYS 16 -5.839 -1.357 -5.994 102 H THR 17 H THR 17 -5.975 -0.324 -3.935 103 HA THR 17 HA THR 17 -4.980 1.080 -1.651 104 HB THR 17 HB THR 17 -6.324 2.987 -2.784 105 HG1 THR 17 HG1 THR 17 -6.900 2.520 -4.941 106 HG21 THR 17 3HG2 THR 17 -3.891 2.722 -2.953 107 HG22 THR 17 1HG2 THR 17 -4.584 3.277 -4.477 108 HG23 THR 17 2HG2 THR 17 -4.110 1.588 -4.286 109 H TRP 18 H TRP 18 -7.521 -0.912 -1.933 110 HA TRP 18 HA TRP 18 -9.334 0.563 -0.175 111 HB2 TRP 18 HB2 TRP 18 -10.278 -0.755 -2.046 112 HB3 TRP 18 HB3 TRP 18 -9.550 -2.211 -1.382 113 HD1 TRP 18 HD1 TRP 18 -12.515 0.129 -0.945 114 HE1 TRP 18 HE1 TRP 18 -14.184 -0.949 0.689 115 HE3 TRP 18 HE3 TRP 18 -9.665 -3.794 0.708 116 HZ2 TRP 18 HZ2 TRP 18 -14.288 -3.139 2.453 117 HZ3 TRP 18 HZ3 TRP 18 -10.631 -5.324 2.373 118 HH2 TRP 18 HH2 TRP 18 -12.892 -5.005 3.227 119 H TYR 19 H TYR 19 -7.521 -2.484 -0.305 120 HA TYR 19 HA TYR 19 -8.018 -3.319 2.335 121 HB2 TYR 19 HB2 TYR 19 -7.293 -4.856 0.602 122 HB3 TYR 19 HB3 TYR 19 -5.776 -3.989 0.422 123 HD1 TYR 19 HD1 TYR 19 -7.743 -5.888 2.974 124 HD2 TYR 19 HD2 TYR 19 -3.904 -4.740 1.541 125 HE1 TYR 19 HE1 TYR 19 -6.685 -7.417 4.587 126 HE2 TYR 19 HE2 TYR 19 -2.839 -6.265 3.146 127 HH TYR 19 HH TYR 19 -3.375 -7.344 5.298 128 H VAL 20 H VAL 20 -5.256 -1.609 0.900 129 HA VAL 20 HA VAL 20 -3.652 -1.332 3.144 130 HB VAL 20 HB VAL 20 -4.100 0.720 0.961 131 HG11 VAL 20 2HG1 VAL 20 -1.792 0.422 2.879 132 HG12 VAL 20 1HG1 VAL 20 -3.011 1.695 2.919 133 HG13 VAL 20 3HG1 VAL 20 -1.896 1.584 1.556 134 HG21 VAL 20 3HG2 VAL 20 -3.404 -1.424 0.057 135 HG22 VAL 20 2HG2 VAL 20 -2.057 -1.488 1.190 136 HG23 VAL 20 1HG2 VAL 20 -2.091 -0.252 -0.066 137 H TYR 21 H TYR 21 -6.449 0.569 2.150 138 HA TYR 21 HA TYR 21 -6.106 2.645 4.042 139 HB2 TYR 21 HB2 TYR 21 -7.423 2.841 1.928 140 HB3 TYR 21 HB3 TYR 21 -8.654 1.811 2.648 141 HD1 TYR 21 HD1 TYR 21 -6.847 5.017 3.185 142 HD2 TYR 21 HD2 TYR 21 -10.376 2.745 3.896 143 HE1 TYR 21 HE1 TYR 21 -7.906 6.985 4.188 144 HE2 TYR 21 HE2 TYR 21 -11.449 4.706 4.904 145 HH TYR 21 HH TYR 21 -10.066 7.875 4.704 146 H ASP 22 H ASP 22 -8.088 -0.308 4.023 147 HA ASP 22 HA ASP 22 -9.318 0.256 6.533 148 HB2 ASP 22 HB2 ASP 22 -10.371 -1.284 4.964 149 HB3 ASP 22 HB3 ASP 22 -8.999 -2.382 5.082 150 H LYS 23 H LYS 23 -6.404 -1.460 5.568 151 HA LYS 23 HA LYS 23 -5.845 -2.685 8.044 152 HB2 LYS 23 HB2 LYS 23 -4.076 -1.879 5.748 153 HB3 LYS 23 HB3 LYS 23 -3.456 -2.704 7.170 154 HG2 LYS 23 HG2 LYS 23 -5.651 -3.782 5.421 155 HG3 LYS 23 HG3 LYS 23 -3.945 -4.193 5.242 156 HD2 LYS 23 HD2 LYS 23 -5.544 -4.624 7.765 157 HD3 LYS 23 HD3 LYS 23 -5.262 -5.863 6.541 158 HE2 LYS 23 HE2 LYS 23 -2.829 -5.588 6.884 159 HE3 LYS 23 HE3 LYS 23 -3.167 -4.431 8.167 160 HZ1 LYS 23 HZ1 LYS 23 -4.101 -7.250 8.186 161 HZ2 LYS 23 HZ2 LYS 23 -4.199 -6.133 9.459 162 HZ3 LYS 23 HZ3 LYS 23 -2.685 -6.712 8.949 163 H VAL 24 H VAL 24 -5.124 0.543 6.826 164 HA VAL 24 HA VAL 24 -3.581 1.171 9.207 165 HB VAL 24 HB VAL 24 -3.327 3.416 8.280 166 HG11 VAL 24 2HG1 VAL 24 -2.846 1.242 6.248 167 HG12 VAL 24 1HG1 VAL 24 -1.768 1.700 7.565 168 HG13 VAL 24 3HG1 VAL 24 -2.080 2.831 6.248 169 HG21 VAL 24 3HG2 VAL 24 -5.512 3.686 7.251 170 HG22 VAL 24 2HG2 VAL 24 -5.115 2.455 6.050 171 HG23 VAL 24 1HG2 VAL 24 -4.234 3.983 6.074 172 H GLY 25 H GLY 25 -6.727 0.734 8.711 173 HA2 GLY 25 HA1 GLY 25 -8.572 1.245 9.973 174 HA3 GLY 25 HA2 GLY 25 -7.486 2.024 11.110 175 H GLY 26 H GLY 26 -7.618 3.036 7.781 176 HA2 GLY 26 HA1 GLY 26 -8.470 4.943 6.802 177 HA3 GLY 26 HA2 GLY 26 -9.522 5.134 8.197 178 H GLU 27 H GLU 27 -6.145 4.830 8.806 179 HA GLU 27 HA GLU 27 -5.932 7.405 9.967 180 HB2 GLU 27 HB2 GLU 27 -4.525 5.508 10.663 181 HB3 GLU 27 HB3 GLU 27 -3.752 5.498 9.085 182 HG2 GLU 27 HG2 GLU 27 -2.275 6.558 10.604 183 HG3 GLU 27 HG3 GLU 27 -2.937 7.811 9.556 184 H ILE 28 H ILE 28 -4.755 6.028 6.937 185 HA ILE 28 HA ILE 28 -4.628 8.732 5.815 186 HB ILE 28 HB ILE 28 -2.449 8.641 5.269 187 HG12 ILE 28 2HG1 ILE 28 -3.130 6.890 3.500 188 HG13 ILE 28 3HG1 ILE 28 -1.428 6.997 3.939 189 HG21 ILE 28 2HG2 ILE 28 -2.259 7.839 7.547 190 HG22 ILE 28 1HG2 ILE 28 -0.994 7.133 6.538 191 HG23 ILE 28 3HG2 ILE 28 -2.401 6.170 6.991 192 HD11 ILE 28 3HD1 ILE 28 -3.428 4.913 4.786 193 HD12 ILE 28 2HD1 ILE 28 -1.811 5.057 5.487 194 HD13 ILE 28 1HD1 ILE 28 -1.998 4.699 3.769 195 H GLY 29 H GLY 29 -5.372 8.864 3.664 196 HA2 GLY 29 HA1 GLY 29 -5.055 7.283 1.610 197 HA3 GLY 29 HA2 GLY 29 -6.208 6.303 2.497 198 H SER 30 H SER 30 -7.257 6.555 0.390 199 HA SER 30 HA SER 30 -9.060 7.197 -0.787 200 HB2 SER 30 HB2 SER 30 -9.516 9.281 1.355 201 HB3 SER 30 HB3 SER 30 -10.677 8.779 0.127 202 HG SER 30 HG SER 30 -10.198 7.691 2.512 203 H THR 31 H THR 31 -7.276 10.001 0.474 204 HA THR 31 HA THR 31 -7.853 11.591 -1.853 205 HB THR 31 HB THR 31 -6.171 13.163 -0.716 206 HG1 THR 31 HG1 THR 31 -6.124 12.453 1.668 207 HG21 THR 31 3HG2 THR 31 -7.797 13.813 1.016 208 HG22 THR 31 1HG2 THR 31 -8.639 12.281 0.788 209 HG23 THR 31 2HG2 THR 31 -8.588 13.462 -0.521 210 H TRP 32 H TRP 32 -5.560 9.199 -1.175 211 HA TRP 32 HA TRP 32 -3.301 10.389 -2.468 212 HB2 TRP 32 HB2 TRP 32 -2.263 8.177 -2.252 213 HB3 TRP 32 HB3 TRP 32 -2.973 8.725 -0.738 214 HD1 TRP 32 HD1 TRP 32 -4.963 7.076 -3.567 215 HE1 TRP 32 HE1 TRP 32 -5.951 4.904 -2.721 216 HE3 TRP 32 HE3 TRP 32 -2.708 6.980 0.982 217 HZ2 TRP 32 HZ2 TRP 32 -5.805 3.294 -0.361 218 HZ3 TRP 32 HZ3 TRP 32 -3.178 5.080 2.491 219 HH2 TRP 32 HH2 TRP 32 -4.692 3.278 1.830 220 H GLY 33 H GLY 33 -6.120 9.206 -3.757 221 HA2 GLY 33 HA1 GLY 33 -6.670 8.885 -5.995 222 HA3 GLY 33 HA2 GLY 33 -4.966 9.067 -6.382 223 H ASN 34 H ASN 34 -4.352 7.358 -7.496 224 HA ASN 34 HA ASN 34 -5.063 4.707 -6.445 225 HB2 ASN 34 HB2 ASN 34 -3.932 5.384 -9.169 226 HB3 ASN 34 HB3 ASN 34 -4.485 3.811 -8.609 227 HD21 ASN 34 1HD2 ASN 34 -5.302 5.641 -10.826 228 HD22 ASN 34 2HD2 ASN 34 -7.025 5.771 -10.663 229 H ALA 35 H ALA 35 -3.122 3.136 -7.311 230 HA ALA 35 HA ALA 35 -1.093 3.625 -5.421 231 HB1 ALA 35 HB1 ALA 35 -0.099 1.561 -6.261 232 HB2 ALA 35 HB2 ALA 35 -1.839 1.394 -6.022 233 HB3 ALA 35 HB3 ALA 35 -1.188 1.601 -7.650 234 H ASN 36 H ASN 36 -1.323 4.443 -8.777 235 HA ASN 36 HA ASN 36 1.541 4.776 -9.098 236 HB2 ASN 36 HB2 ASN 36 0.051 3.952 -10.939 237 HB3 ASN 36 HB3 ASN 36 -0.671 5.555 -11.006 238 HD21 ASN 36 1HD2 ASN 36 -0.017 5.784 -13.148 239 HD22 ASN 36 2HD2 ASN 36 1.629 6.099 -13.577 240 H ASN 37 H ASN 37 -1.111 6.629 -8.057 241 HA ASN 37 HA ASN 37 0.331 9.152 -8.550 242 HB2 ASN 37 HB2 ASN 37 -2.030 8.892 -9.439 243 HB3 ASN 37 HB3 ASN 37 -2.574 8.820 -7.768 244 HD21 ASN 37 1HD2 ASN 37 -3.767 10.672 -7.832 245 HD22 ASN 37 2HD2 ASN 37 -3.072 12.250 -7.990 246 H TRP 38 H TRP 38 0.318 6.932 -6.343 247 HA TRP 38 HA TRP 38 -0.797 7.822 -3.996 248 HB2 TRP 38 HB2 TRP 38 1.064 5.783 -4.756 249 HB3 TRP 38 HB3 TRP 38 1.607 6.563 -3.262 250 HD1 TRP 38 HD1 TRP 38 -1.981 5.597 -4.404 251 HE1 TRP 38 HE1 TRP 38 -3.021 4.253 -2.508 252 HE3 TRP 38 HE3 TRP 38 2.027 5.451 -1.261 253 HZ2 TRP 38 HZ2 TRP 38 -2.237 3.258 0.058 254 HZ3 TRP 38 HZ3 TRP 38 1.808 4.289 0.883 255 HH2 TRP 38 HH2 TRP 38 -0.269 3.207 1.521 256 H ALA 39 H ALA 39 2.723 7.955 -4.522 257 HA ALA 39 HA ALA 39 3.269 9.542 -2.331 258 HB1 ALA 39 HB1 ALA 39 4.982 8.331 -3.598 259 HB2 ALA 39 HB2 ALA 39 4.816 9.485 -4.920 260 HB3 ALA 39 HB3 ALA 39 5.421 10.021 -3.352 261 H ALA 40 H ALA 40 2.405 10.539 -5.605 262 HA ALA 40 HA ALA 40 2.903 13.295 -5.306 263 HB1 ALA 40 HB1 ALA 40 2.576 12.244 -7.480 264 HB2 ALA 40 HB2 ALA 40 0.890 11.920 -7.080 265 HB3 ALA 40 HB3 ALA 40 1.452 13.584 -7.251 266 H ALA 41 H ALA 41 -0.194 11.517 -5.062 267 HA ALA 41 HA ALA 41 -1.653 13.802 -4.191 268 HB1 ALA 41 HB1 ALA 41 -3.487 12.276 -3.836 269 HB2 ALA 41 HB2 ALA 41 -2.670 11.864 -5.342 270 HB3 ALA 41 HB3 ALA 41 -2.398 10.890 -3.895 271 H ALA 42 H ALA 42 -0.095 11.119 -2.533 272 HA ALA 42 HA ALA 42 -0.943 11.526 0.085 273 HB1 ALA 42 HB1 ALA 42 1.223 10.515 0.728 274 HB2 ALA 42 HB2 ALA 42 0.394 9.622 -0.548 275 HB3 ALA 42 HB3 ALA 42 1.761 10.664 -0.943 276 H GLN 43 H GLN 43 1.827 13.003 -1.637 277 HA GLN 43 HA GLN 43 2.708 14.652 0.473 278 HB2 GLN 43 HB2 GLN 43 2.998 14.940 -2.519 279 HB3 GLN 43 HB3 GLN 43 3.788 16.003 -1.364 280 HG2 GLN 43 HG2 GLN 43 5.052 14.165 -0.464 281 HG3 GLN 43 HG3 GLN 43 4.177 13.020 -1.483 282 HE21 GLN 43 1HE2 GLN 43 4.611 12.945 -3.669 283 HE22 GLN 43 2HE2 GLN 43 6.032 13.651 -4.367 284 H GLY 44 H GLY 44 0.262 15.094 -2.005 285 HA2 GLY 44 HA1 GLY 44 -0.256 17.839 -1.516 286 HA3 GLY 44 HA2 GLY 44 -1.371 16.695 -2.255 287 H ALA 45 H ALA 45 -1.452 14.865 -0.074 288 HA ALA 45 HA ALA 45 -3.297 16.205 1.678 289 HB1 ALA 45 HB1 ALA 45 -2.222 13.387 1.796 290 HB2 ALA 45 HB2 ALA 45 -3.604 14.012 2.696 291 HB3 ALA 45 HB3 ALA 45 -3.677 13.896 0.938 292 H GLY 46 H GLY 46 0.035 15.848 1.615 293 HA2 GLY 46 HA1 GLY 46 1.389 17.087 3.108 294 HA3 GLY 46 HA2 GLY 46 0.159 16.896 4.345 295 H PHE 47 H PHE 47 0.926 14.016 2.645 296 HA PHE 47 HA PHE 47 2.024 12.855 5.037 297 HB2 PHE 47 HB2 PHE 47 1.897 11.671 2.257 298 HB3 PHE 47 HB3 PHE 47 2.241 10.792 3.732 299 HD1 PHE 47 HD2 PHE 47 -0.224 12.924 4.776 300 HD2 PHE 47 HD1 PHE 47 0.328 9.604 2.179 301 HE1 PHE 47 HE2 PHE 47 -2.621 12.381 4.950 302 HE2 PHE 47 HE1 PHE 47 -2.055 9.043 2.347 303 HZ PHE 47 HZ PHE 47 -3.534 10.447 3.731 304 H THR 48 H THR 48 4.106 11.983 5.277 305 HA THR 48 HA THR 48 6.177 13.297 3.665 306 HB THR 48 HB THR 48 6.624 11.624 6.140 307 HG1 THR 48 HG1 THR 48 5.574 14.188 5.879 308 HG21 THR 48 3HG2 THR 48 8.609 12.106 4.809 309 HG22 THR 48 1HG2 THR 48 8.661 13.003 6.327 310 HG23 THR 48 2HG2 THR 48 8.225 13.828 4.830 311 H VAL 49 H VAL 49 6.767 12.123 1.901 312 HA VAL 49 HA VAL 49 6.684 9.209 2.166 313 HB VAL 49 HB VAL 49 6.042 8.987 0.034 314 HG11 VAL 49 2HG1 VAL 49 5.442 11.915 0.372 315 HG12 VAL 49 1HG1 VAL 49 4.435 10.556 0.871 316 HG13 VAL 49 3HG1 VAL 49 4.718 10.860 -0.842 317 HG21 VAL 49 3HG2 VAL 49 7.816 11.296 -0.745 318 HG22 VAL 49 2HG2 VAL 49 6.810 10.386 -1.876 319 HG23 VAL 49 1HG2 VAL 49 8.109 9.574 -1.004 320 H ASN 50 H ASN 50 8.444 8.087 2.282 321 HA ASN 50 HA ASN 50 10.936 9.121 1.109 322 HB2 ASN 50 HB2 ASN 50 10.852 7.167 3.418 323 HB3 ASN 50 HB3 ASN 50 12.216 8.118 2.855 324 HD21 ASN 50 1HD2 ASN 50 10.921 7.774 5.498 325 HD22 ASN 50 2HD2 ASN 50 10.571 9.378 6.046 326 H HIS 51 H HIS 51 11.985 6.353 1.879 327 HA HIS 51 HA HIS 51 10.094 4.524 0.805 328 HB2 HIS 51 HB2 HIS 51 11.771 3.625 -0.964 329 HB3 HIS 51 HB3 HIS 51 10.747 4.992 -1.359 330 HD1 HIS 51 HD1 HIS 51 11.990 6.526 -2.768 331 HD2 HIS 51 HD2 HIS 51 14.420 4.883 0.172 332 HE1 HIS 51 HE1 HIS 51 14.259 7.546 -3.127 333 HE2 HIS 51 HE2 HIS 51 15.756 6.363 -1.482 334 H THR 52 H THR 52 10.284 3.559 2.730 335 HA THR 52 HA THR 52 12.374 1.589 2.936 336 HB THR 52 HB THR 52 11.972 3.503 5.258 337 HG1 THR 52 HG1 THR 52 13.567 3.700 3.073 338 HG21 THR 52 3HG2 THR 52 12.571 1.228 5.937 339 HG22 THR 52 1HG2 THR 52 13.914 2.337 6.220 340 HG23 THR 52 2HG2 THR 52 13.947 1.249 4.833 341 HA PRO 53 HA PRO 53 8.173 0.019 3.946 342 HB2 PRO 53 HB2 PRO 53 9.068 -2.618 3.789 343 HB3 PRO 53 HB3 PRO 53 8.335 -1.698 2.471 344 HG2 PRO 53 HG2 PRO 53 11.219 -2.191 3.071 345 HG3 PRO 53 HG3 PRO 53 10.390 -2.148 1.503 346 HD2 PRO 53 HD2 PRO 53 11.878 -0.092 2.310 347 HD3 PRO 53 HD3 PRO 53 10.343 0.175 1.451 348 H SER 54 H SER 54 7.331 -0.677 5.839 349 HA SER 54 HA SER 54 8.912 -1.916 7.897 350 HB2 SER 54 HB2 SER 54 9.583 0.465 8.125 351 HB3 SER 54 HB3 SER 54 7.886 0.911 8.289 352 HG SER 54 HG SER 54 9.543 -0.500 10.083 353 H LYS 55 H LYS 55 7.552 -2.394 9.810 354 HA LYS 55 HA LYS 55 5.079 -3.470 8.998 355 HB2 LYS 55 HB2 LYS 55 6.317 -4.460 10.835 356 HB3 LYS 55 HB3 LYS 55 6.201 -2.977 11.770 357 HG2 LYS 55 HG2 LYS 55 3.761 -3.270 11.900 358 HG3 LYS 55 HG3 LYS 55 3.911 -4.783 11.008 359 HD2 LYS 55 HD2 LYS 55 5.255 -4.224 13.649 360 HD3 LYS 55 HD3 LYS 55 3.721 -5.074 13.476 361 HE2 LYS 55 HE2 LYS 55 6.326 -5.948 12.235 362 HE3 LYS 55 HE3 LYS 55 5.676 -6.582 13.744 363 HZ1 LYS 55 HZ1 LYS 55 3.694 -7.308 12.464 364 HZ2 LYS 55 HZ2 LYS 55 5.125 -8.072 11.983 365 HZ3 LYS 55 HZ3 LYS 55 4.474 -6.831 11.037 366 H GLY 56 H GLY 56 3.270 -2.390 8.563 367 HA2 GLY 56 HA1 GLY 56 1.369 -1.197 9.414 368 HA3 GLY 56 HA2 GLY 56 2.460 -0.245 10.413 369 H ALA 57 H ALA 57 4.039 -0.437 7.613 370 HA ALA 57 HA ALA 57 2.920 2.101 6.654 371 HB1 ALA 57 HB1 ALA 57 5.048 2.433 5.531 372 HB2 ALA 57 HB2 ALA 57 5.306 2.090 7.242 373 HB3 ALA 57 HB3 ALA 57 5.586 0.831 6.038 374 H ILE 58 H ILE 58 3.947 2.031 4.046 375 HA ILE 58 HA ILE 58 2.548 -0.239 2.835 376 HB ILE 58 HB ILE 58 2.205 2.513 1.672 377 HG12 ILE 58 2HG1 ILE 58 -0.187 2.220 2.791 378 HG13 ILE 58 3HG1 ILE 58 0.732 1.296 3.974 379 HG21 ILE 58 2HG2 ILE 58 0.732 -0.103 1.427 380 HG22 ILE 58 1HG2 ILE 58 1.644 0.753 0.181 381 HG23 ILE 58 3HG2 ILE 58 0.127 1.419 0.775 382 HD11 ILE 58 3HD1 ILE 58 2.139 3.231 4.413 383 HD12 ILE 58 2HD1 ILE 58 0.434 3.612 4.665 384 HD13 ILE 58 1HD1 ILE 58 1.252 4.159 3.203 385 H LEU 59 H LEU 59 2.970 -0.066 0.294 386 HA LEU 59 HA LEU 59 5.806 0.565 -0.115 387 HB2 LEU 59 HB2 LEU 59 5.439 -1.793 0.647 388 HB3 LEU 59 HB3 LEU 59 4.470 -2.057 -0.786 389 HG LEU 59 HG LEU 59 6.791 -1.144 -1.868 390 HD11 LEU 59 2HD1 LEU 59 7.484 -2.767 0.576 391 HD12 LEU 59 1HD1 LEU 59 7.934 -1.089 0.258 392 HD13 LEU 59 3HD1 LEU 59 8.597 -2.384 -0.740 393 HD21 LEU 59 3HD2 LEU 59 6.037 -3.989 -1.211 394 HD22 LEU 59 2HD2 LEU 59 7.192 -3.488 -2.447 395 HD23 LEU 59 1HD2 LEU 59 5.488 -3.061 -2.607 396 H GLN 60 H GLN 60 5.679 2.011 -1.775 397 HA GLN 60 HA GLN 60 3.884 1.391 -4.038 398 HB2 GLN 60 HB2 GLN 60 3.606 3.632 -3.013 399 HB3 GLN 60 HB3 GLN 60 5.295 3.988 -3.357 400 HG2 GLN 60 HG2 GLN 60 4.696 3.514 -5.803 401 HG3 GLN 60 HG3 GLN 60 3.021 3.662 -5.276 402 HE21 GLN 60 1HE2 GLN 60 2.662 5.444 -6.539 403 HE22 GLN 60 2HE2 GLN 60 3.333 7.002 -6.186 404 H SER 61 H SER 61 4.658 1.115 -6.075 405 HA SER 61 HA SER 61 7.558 0.796 -6.328 406 HB2 SER 61 HB2 SER 61 6.044 -1.081 -7.004 407 HB3 SER 61 HB3 SER 61 5.389 -0.042 -8.269 408 HG SER 61 HG SER 61 7.013 -1.319 -9.150 409 H SER 62 H SER 62 4.892 2.679 -7.536 410 HA SER 62 HA SER 62 4.729 4.545 -8.799 411 HB2 SER 62 HB2 SER 62 7.752 4.655 -8.659 412 HB3 SER 62 HB3 SER 62 6.681 5.975 -9.118 413 HG SER 62 HG SER 62 7.379 5.078 -6.645 414 H GLU 63 H GLU 63 5.729 1.728 -9.854 415 HA GLU 63 HA GLU 63 5.987 2.643 -12.640 416 HB2 GLU 63 HB2 GLU 63 7.082 0.097 -11.420 417 HB3 GLU 63 HB3 GLU 63 7.203 0.555 -13.112 418 HG2 GLU 63 HG2 GLU 63 8.457 2.003 -10.792 419 HG3 GLU 63 HG3 GLU 63 9.288 0.947 -11.932 420 H GLY 64 H GLY 64 4.841 1.421 -14.213 421 HA2 GLY 64 HA1 GLY 64 3.389 -0.421 -14.793 422 HA3 GLY 64 HA2 GLY 64 2.835 -0.448 -13.124 423 HA PRO 65 HA PRO 65 0.034 2.058 -16.101 424 HB2 PRO 65 HB2 PRO 65 -2.191 0.477 -15.690 425 HB3 PRO 65 HB3 PRO 65 -1.090 0.329 -17.063 426 HG2 PRO 65 HG2 PRO 65 -1.215 -1.274 -14.548 427 HG3 PRO 65 HG3 PRO 65 -0.877 -1.804 -16.207 428 HD2 PRO 65 HD2 PRO 65 1.075 -1.487 -14.373 429 HD3 PRO 65 HD3 PRO 65 1.337 -1.153 -16.097 430 H PHE 66 H PHE 66 -1.047 0.323 -13.174 431 HA PHE 66 HA PHE 66 -2.148 2.868 -12.189 432 HB2 PHE 66 HB2 PHE 66 -2.905 0.006 -11.619 433 HB3 PHE 66 HB3 PHE 66 -3.418 1.326 -10.576 434 HD1 PHE 66 HD1 PHE 66 -3.728 -0.156 -13.923 435 HD2 PHE 66 HD2 PHE 66 -5.131 2.839 -11.245 436 HE1 PHE 66 HE1 PHE 66 -5.655 0.258 -15.397 437 HE2 PHE 66 HE2 PHE 66 -7.059 3.257 -12.713 438 HZ PHE 66 HZ PHE 66 -7.322 1.965 -14.792 439 H GLY 67 H GLY 67 0.637 1.601 -12.053 440 HA2 GLY 67 HA1 GLY 67 2.370 1.837 -10.554 441 HA3 GLY 67 HA2 GLY 67 1.228 2.535 -9.415 442 H HIS 68 H HIS 68 1.649 1.440 -7.583 443 HA HIS 68 HA HIS 68 0.741 -1.192 -7.207 444 HB2 HIS 68 HB2 HIS 68 2.854 -1.680 -8.517 445 HB3 HIS 68 HB3 HIS 68 3.760 -0.950 -7.187 446 HD1 HIS 68 HD1 HIS 68 4.637 -2.613 -5.596 447 HD2 HIS 68 HD2 HIS 68 1.159 -3.941 -7.433 448 HE1 HIS 68 HE1 HIS 68 4.232 -4.915 -4.682 449 HE2 HIS 68 HE2 HIS 68 2.013 -5.617 -5.653 450 H VAL 69 H VAL 69 -0.120 -0.573 -5.191 451 HA VAL 69 HA VAL 69 1.971 0.061 -3.231 452 HB VAL 69 HB VAL 69 0.254 1.140 -1.835 453 HG11 VAL 69 2HG1 VAL 69 1.728 2.429 -3.281 454 HG12 VAL 69 1HG1 VAL 69 0.140 3.189 -3.166 455 HG13 VAL 69 3HG1 VAL 69 0.577 2.273 -4.608 456 HG21 VAL 69 3HG2 VAL 69 -1.746 0.050 -2.699 457 HG22 VAL 69 2HG2 VAL 69 -1.504 0.819 -4.269 458 HG23 VAL 69 1HG2 VAL 69 -1.885 1.802 -2.855 459 H ALA 70 H ALA 70 2.401 -1.479 -1.912 460 HA ALA 70 HA ALA 70 0.321 -3.453 -1.230 461 HB1 ALA 70 HB1 ALA 70 2.168 -5.023 -0.810 462 HB2 ALA 70 HB2 ALA 70 2.166 -4.442 -2.475 463 HB3 ALA 70 HB3 ALA 70 3.320 -3.787 -1.314 464 H TYR 71 H TYR 71 -0.273 -3.520 0.867 465 HA TYR 71 HA TYR 71 0.853 -1.636 2.681 466 HB2 TYR 71 HB2 TYR 71 -1.497 -2.111 2.843 467 HB3 TYR 71 HB3 TYR 71 -1.188 -3.832 3.069 468 HD1 TYR 71 HD2 TYR 71 -0.883 -0.508 4.638 469 HD2 TYR 71 HD1 TYR 71 -0.710 -4.722 5.206 470 HE1 TYR 71 HE2 TYR 71 -0.845 -0.163 7.070 471 HE2 TYR 71 HE1 TYR 71 -0.674 -4.388 7.652 472 HH TYR 71 HH TYR 71 -1.144 -1.212 9.090 473 H VAL 72 H VAL 72 2.494 -1.883 4.038 474 HA VAL 72 HA VAL 72 3.917 -4.413 4.025 475 HB VAL 72 HB VAL 72 4.698 -1.863 5.436 476 HG11 VAL 72 2HG1 VAL 72 5.912 -3.803 6.190 477 HG12 VAL 72 1HG1 VAL 72 6.973 -2.782 5.214 478 HG13 VAL 72 3HG1 VAL 72 6.289 -4.254 4.525 479 HG21 VAL 72 3HG2 VAL 72 4.336 -1.366 3.082 480 HG22 VAL 72 2HG2 VAL 72 5.374 -2.720 2.626 481 HG23 VAL 72 1HG2 VAL 72 6.059 -1.333 3.472 482 H GLU 73 H GLU 73 3.589 -5.901 5.557 483 HA GLU 73 HA GLU 73 2.438 -4.993 8.086 484 HB2 GLU 73 HB2 GLU 73 2.491 -7.742 6.842 485 HB3 GLU 73 HB3 GLU 73 1.847 -7.390 8.442 486 HG2 GLU 73 HG2 GLU 73 0.474 -5.588 7.041 487 HG3 GLU 73 HG3 GLU 73 0.741 -6.774 5.769 488 H SER 74 H SER 74 5.320 -6.315 6.715 489 HA SER 74 HA SER 74 6.646 -6.116 9.268 490 HB2 SER 74 HB2 SER 74 6.495 -8.825 7.917 491 HB3 SER 74 HB3 SER 74 7.479 -8.432 9.325 492 HG SER 74 HG SER 74 5.246 -9.458 9.550 493 H VAL 75 H VAL 75 8.799 -5.679 9.019 494 HA VAL 75 HA VAL 75 10.018 -6.460 6.458 495 HB VAL 75 HB VAL 75 10.158 -4.038 6.752 496 HG11 VAL 75 2HG1 VAL 75 10.060 -3.875 9.166 497 HG12 VAL 75 1HG1 VAL 75 11.485 -3.037 8.554 498 HG13 VAL 75 3HG1 VAL 75 11.651 -4.624 9.304 499 HG21 VAL 75 3HG2 VAL 75 12.813 -5.428 7.100 500 HG22 VAL 75 2HG2 VAL 75 12.599 -3.778 6.513 501 HG23 VAL 75 1HG2 VAL 75 11.969 -5.136 5.579 502 H ASN 76 H ASN 76 11.392 -8.084 6.565 503 HA ASN 76 HA ASN 76 11.630 -9.397 9.096 504 HB2 ASN 76 HB2 ASN 76 12.615 -10.192 6.351 505 HB3 ASN 76 HB3 ASN 76 12.693 -11.219 7.779 506 HD21 ASN 76 1HD2 ASN 76 10.618 -9.762 5.406 507 HD22 ASN 76 2HD2 ASN 76 9.201 -10.696 5.768 508 H SER 77 H SER 77 13.687 -10.373 9.804 509 HA SER 77 HA SER 77 15.494 -8.264 10.367 510 HB2 SER 77 HB2 SER 77 14.891 -10.171 11.896 511 HB3 SER 77 HB3 SER 77 15.872 -11.223 10.879 512 HG SER 77 HG SER 77 17.012 -10.431 12.705 513 H ASP 78 H ASP 78 15.403 -10.708 7.928 514 HA ASP 78 HA ASP 78 18.235 -10.560 7.337 515 HB2 ASP 78 HB2 ASP 78 17.760 -12.147 5.553 516 HB3 ASP 78 HB3 ASP 78 16.998 -12.680 7.047 517 H GLY 79 H GLY 79 15.611 -8.621 6.682 518 HA2 GLY 79 HA1 GLY 79 16.083 -6.553 5.495 519 HA3 GLY 79 HA2 GLY 79 17.001 -7.498 4.334 520 H SER 80 H SER 80 14.841 -9.599 4.370 521 HA SER 80 HA SER 80 13.379 -8.624 2.152 522 HB2 SER 80 HB2 SER 80 12.871 -11.053 3.886 523 HB3 SER 80 HB3 SER 80 12.118 -10.744 2.321 524 HG SER 80 HG SER 80 14.775 -11.414 2.938 525 H VAL 81 H VAL 81 11.214 -8.035 1.960 526 HA VAL 81 HA VAL 81 9.971 -7.198 4.499 527 HB VAL 81 HB VAL 81 9.622 -5.986 1.754 528 HG11 VAL 81 2HG1 VAL 81 8.620 -5.086 4.449 529 HG12 VAL 81 1HG1 VAL 81 7.641 -5.735 3.133 530 HG13 VAL 81 3HG1 VAL 81 8.463 -4.186 2.941 531 HG21 VAL 81 3HG2 VAL 81 11.178 -5.006 4.145 532 HG22 VAL 81 2HG2 VAL 81 10.902 -4.095 2.658 533 HG23 VAL 81 1HG2 VAL 81 11.852 -5.580 2.619 534 H THR 82 H THR 82 8.085 -8.036 5.029 535 HA THR 82 HA THR 82 6.644 -9.667 3.075 536 HB THR 82 HB THR 82 6.381 -9.492 6.087 537 HG1 THR 82 HG1 THR 82 7.172 -11.811 4.698 538 HG21 THR 82 3HG2 THR 82 4.232 -10.042 5.028 539 HG22 THR 82 1HG2 THR 82 4.894 -11.433 5.890 540 HG23 THR 82 2HG2 THR 82 5.009 -11.348 4.132 541 H ILE 83 H ILE 83 5.039 -8.711 2.020 542 HA ILE 83 HA ILE 83 3.538 -6.585 3.401 543 HB ILE 83 HB ILE 83 3.019 -5.684 1.121 544 HG12 ILE 83 2HG1 ILE 83 4.869 -6.331 -0.604 545 HG13 ILE 83 3HG1 ILE 83 4.994 -7.810 0.338 546 HG21 ILE 83 2HG2 ILE 83 5.188 -4.567 0.856 547 HG22 ILE 83 1HG2 ILE 83 5.912 -5.742 1.954 548 HG23 ILE 83 3HG2 ILE 83 4.670 -4.635 2.540 549 HD11 ILE 83 3HD1 ILE 83 3.556 -8.104 -1.592 550 HD12 ILE 83 2HD1 ILE 83 2.516 -6.795 -1.032 551 HD13 ILE 83 1HD1 ILE 83 2.642 -8.282 -0.094 552 H SER 84 H SER 84 1.314 -6.296 2.644 553 HA SER 84 HA SER 84 0.103 -8.746 1.571 554 HB2 SER 84 HB2 SER 84 -0.987 -7.038 3.824 555 HB3 SER 84 HB3 SER 84 -1.807 -8.423 3.100 556 HG SER 84 HG SER 84 -0.354 -8.606 5.143 557 H GLU 85 H GLU 85 -0.174 -7.971 -0.438 558 HA GLU 85 HA GLU 85 -1.771 -5.532 -0.773 559 HB2 GLU 85 HB2 GLU 85 -0.989 -5.623 -3.163 560 HB3 GLU 85 HB3 GLU 85 0.275 -5.334 -1.977 561 HG2 GLU 85 HG2 GLU 85 0.957 -7.659 -2.108 562 HG3 GLU 85 HG3 GLU 85 -0.342 -7.988 -3.253 563 H MET 86 H MET 86 -3.857 -6.096 -0.747 564 HA MET 86 HA MET 86 -4.754 -8.612 -1.785 565 HB2 MET 86 HB2 MET 86 -5.793 -7.596 0.202 566 HB3 MET 86 HB3 MET 86 -6.347 -6.248 -0.783 567 HG2 MET 86 HG2 MET 86 -7.803 -7.651 -2.028 568 HG3 MET 86 HG3 MET 86 -7.121 -9.098 -1.295 569 HE1 MET 86 HE1 MET 86 -7.679 -9.998 1.037 570 HE2 MET 86 HE2 MET 86 -6.915 -8.567 1.728 571 HE3 MET 86 HE3 MET 86 -8.506 -9.075 2.293 572 H ASN 87 H ASN 87 -4.818 -8.916 -3.887 573 HA ASN 87 HA ASN 87 -5.722 -8.908 -5.957 574 HB2 ASN 87 HB2 ASN 87 -7.849 -8.269 -5.028 575 HB3 ASN 87 HB3 ASN 87 -7.356 -6.581 -4.943 576 HD21 ASN 87 1HD2 ASN 87 -9.091 -5.931 -6.219 577 HD22 ASN 87 2HD2 ASN 87 -9.147 -6.224 -7.924 578 H TYR 88 H TYR 88 -5.286 -5.468 -5.051 579 HA TYR 88 HA TYR 88 -4.323 -3.729 -6.145 580 HB2 TYR 88 HB2 TYR 88 -2.261 -4.872 -6.324 581 HB3 TYR 88 HB3 TYR 88 -2.879 -5.982 -7.537 582 HD1 TYR 88 HD1 TYR 88 -2.460 -2.269 -7.147 583 HD2 TYR 88 HD2 TYR 88 -2.088 -5.687 -9.653 584 HE1 TYR 88 HE1 TYR 88 -1.526 -0.856 -8.933 585 HE2 TYR 88 HE2 TYR 88 -1.160 -4.285 -11.444 586 HH TYR 88 HH TYR 88 -0.017 -1.199 -10.952 587 H SER 89 H SER 89 -4.661 -6.032 -8.836 588 HA SER 89 HA SER 89 -7.162 -5.114 -9.694 589 HB2 SER 89 HB2 SER 89 -6.458 -3.956 -11.806 590 HB3 SER 89 HB3 SER 89 -6.073 -3.049 -10.344 591 HG SER 89 HG SER 89 -4.213 -4.769 -11.607 592 H GLY 90 H GLY 90 -7.167 -7.430 -9.581 593 HA2 GLY 90 HA1 GLY 90 -6.824 -8.666 -12.117 594 HA3 GLY 90 HA2 GLY 90 -5.536 -9.144 -11.020 595 H GLY 91 H GLY 91 -6.143 -10.185 -9.000 596 HA2 GLY 91 HA1 GLY 91 -8.643 -11.710 -9.309 597 HA3 GLY 91 HA2 GLY 91 -7.239 -12.233 -8.385 598 HA PRO 92 HA PRO 92 -10.149 -8.821 -6.167 599 HB2 PRO 92 HB2 PRO 92 -12.363 -10.825 -6.251 600 HB3 PRO 92 HB3 PRO 92 -12.440 -9.058 -6.289 601 HG2 PRO 92 HG2 PRO 92 -12.798 -10.452 -8.515 602 HG3 PRO 92 HG3 PRO 92 -11.852 -8.951 -8.534 603 HD2 PRO 92 HD2 PRO 92 -10.911 -11.785 -8.621 604 HD3 PRO 92 HD3 PRO 92 -10.269 -10.356 -9.457 605 H PHE 93 H PHE 93 -9.456 -8.895 -4.180 606 HA PHE 93 HA PHE 93 -9.159 -9.456 -2.021 607 HB2 PHE 93 HB2 PHE 93 -10.955 -11.793 -2.641 608 HB3 PHE 93 HB3 PHE 93 -10.308 -11.417 -1.044 609 HD1 PHE 93 HD1 PHE 93 -12.639 -10.332 -3.681 610 HD2 PHE 93 HD2 PHE 93 -11.194 -9.631 0.259 611 HE1 PHE 93 HE1 PHE 93 -14.553 -8.850 -3.247 612 HE2 PHE 93 HE2 PHE 93 -13.105 -8.146 0.697 613 HZ PHE 93 HZ PHE 93 -14.790 -7.754 -1.057 614 H SER 94 H SER 94 -7.839 -11.077 -4.521 615 HA SER 94 HA SER 94 -6.499 -13.147 -3.103 616 HB2 SER 94 HB2 SER 94 -5.813 -11.684 -5.660 617 HB3 SER 94 HB3 SER 94 -4.796 -12.967 -4.989 618 HG SER 94 HG SER 94 -6.462 -13.590 -6.605 619 H VAL 95 H VAL 95 -5.797 -12.292 -1.174 620 HA VAL 95 HA VAL 95 -4.249 -9.946 -1.024 621 HB VAL 95 HB VAL 95 -5.394 -10.670 0.951 622 HG11 VAL 95 2HG1 VAL 95 -4.756 -12.700 2.186 623 HG12 VAL 95 1HG1 VAL 95 -3.715 -13.164 0.841 624 HG13 VAL 95 3HG1 VAL 95 -5.458 -13.049 0.606 625 HG21 VAL 95 3HG2 VAL 95 -3.322 -9.440 1.296 626 HG22 VAL 95 2HG2 VAL 95 -2.423 -10.955 1.354 627 HG23 VAL 95 1HG2 VAL 95 -3.608 -10.584 2.607 628 H SER 96 H SER 96 -2.544 -9.959 -2.410 629 HA SER 96 HA SER 96 -0.979 -12.257 -2.949 630 HB2 SER 96 HB2 SER 96 -1.320 -10.456 -4.597 631 HB3 SER 96 HB3 SER 96 -0.417 -9.345 -3.569 632 HG SER 96 HG SER 96 1.176 -10.032 -4.772 633 H SER 97 H SER 97 0.427 -13.115 -1.667 634 HA SER 97 HA SER 97 1.748 -11.510 0.384 635 HB2 SER 97 HB2 SER 97 1.790 -14.498 -0.098 636 HB3 SER 97 HB3 SER 97 2.489 -13.673 1.295 637 HG SER 97 HG SER 97 -0.156 -13.065 0.813 638 H ARG 98 H ARG 98 3.369 -10.377 -0.538 639 HA ARG 98 HA ARG 98 5.297 -11.869 -2.194 640 HB2 ARG 98 HB2 ARG 98 3.903 -9.908 -3.186 641 HB3 ARG 98 HB3 ARG 98 4.987 -8.881 -2.258 642 HG2 ARG 98 HG2 ARG 98 6.902 -9.836 -3.445 643 HG3 ARG 98 HG3 ARG 98 5.801 -10.848 -4.384 644 HD2 ARG 98 HD2 ARG 98 4.684 -8.765 -5.180 645 HD3 ARG 98 HD3 ARG 98 5.940 -7.836 -4.366 646 HE ARG 98 HE ARG 98 7.211 -9.661 -6.061 647 HH11 ARG 98 2HH1 ARG 98 5.088 -6.890 -6.291 648 HH12 ARG 98 1HH1 ARG 98 5.678 -6.377 -7.844 649 HH21 ARG 98 2HH2 ARG 98 7.984 -9.029 -8.134 650 HH22 ARG 98 1HH2 ARG 98 7.304 -7.626 -8.914 651 H THR 99 H THR 99 7.536 -11.359 -1.917 652 HA THR 99 HA THR 99 8.155 -10.166 0.703 653 HB THR 99 HB THR 99 9.595 -12.516 -0.553 654 HG1 THR 99 HG1 THR 99 7.513 -13.153 0.133 655 HG21 THR 99 3HG2 THR 99 10.621 -12.736 1.664 656 HG22 THR 99 1HG2 THR 99 9.758 -11.294 2.204 657 HG23 THR 99 2HG2 THR 99 10.983 -11.169 0.941 658 H ILE 100 H ILE 100 9.093 -8.299 0.272 659 HA ILE 100 HA ILE 100 10.481 -7.818 -2.208 660 HB ILE 100 HB ILE 100 9.969 -6.055 0.192 661 HG12 ILE 100 2HG1 ILE 100 8.667 -4.779 -1.655 662 HG13 ILE 100 3HG1 ILE 100 8.743 -6.308 -2.533 663 HG21 ILE 100 2HG2 ILE 100 11.303 -5.312 -2.399 664 HG22 ILE 100 1HG2 ILE 100 12.070 -5.394 -0.813 665 HG23 ILE 100 3HG2 ILE 100 10.822 -4.187 -1.130 666 HD11 ILE 100 3HD1 ILE 100 7.554 -5.926 0.197 667 HD12 ILE 100 2HD1 ILE 100 7.572 -7.421 -0.736 668 HD13 ILE 100 1HD1 ILE 100 6.654 -6.033 -1.316 669 H SER 101 H SER 101 12.601 -8.057 -2.533 670 HA SER 101 HA SER 101 14.423 -8.453 -0.333 671 HB2 SER 101 HB2 SER 101 14.694 -9.520 -2.614 672 HB3 SER 101 HB3 SER 101 15.124 -7.925 -3.234 673 HG SER 101 HG SER 101 16.515 -9.567 -1.399 674 H ALA 102 H ALA 102 16.038 -7.023 0.356 675 HA ALA 102 HA ALA 102 15.397 -4.413 0.795 676 HB1 ALA 102 HB1 ALA 102 17.166 -5.627 1.968 677 HB2 ALA 102 HB2 ALA 102 18.194 -5.504 0.540 678 HB3 ALA 102 HB3 ALA 102 17.718 -4.047 1.413 679 H SER 103 H SER 103 17.100 -5.670 -2.023 680 HA SER 103 HA SER 103 18.080 -3.274 -3.066 681 HB2 SER 103 HB2 SER 103 17.892 -4.551 -5.300 682 HB3 SER 103 HB3 SER 103 18.908 -5.249 -4.037 683 HG SER 103 HG SER 103 16.486 -6.142 -5.092 684 H GLU 104 H GLU 104 14.954 -4.884 -3.601 685 HA GLU 104 HA GLU 104 13.995 -2.747 -5.276 686 HB2 GLU 104 HB2 GLU 104 12.594 -5.121 -4.044 687 HB3 GLU 104 HB3 GLU 104 11.775 -3.923 -5.036 688 HG2 GLU 104 HG2 GLU 104 12.247 -5.720 -6.458 689 HG3 GLU 104 HG3 GLU 104 13.429 -4.474 -6.853 690 H ALA 105 H ALA 105 13.820 -3.656 -1.916 691 HA ALA 105 HA ALA 105 11.761 -1.973 -1.056 692 HB1 ALA 105 HB1 ALA 105 12.789 -3.691 0.355 693 HB2 ALA 105 HB2 ALA 105 14.269 -2.733 0.441 694 HB3 ALA 105 HB3 ALA 105 12.778 -2.118 1.153 695 H GLY 106 H GLY 106 15.035 -1.305 -2.000 696 HA2 GLY 106 HA1 GLY 106 15.348 1.260 -0.885 697 HA3 GLY 106 HA2 GLY 106 16.195 0.645 -2.292 698 H ASN 107 H ASN 107 13.670 0.227 -3.826 699 HA ASN 107 HA ASN 107 13.376 3.044 -4.607 700 HB2 ASN 107 HB2 ASN 107 12.738 2.325 -6.780 701 HB3 ASN 107 HB3 ASN 107 14.117 1.335 -6.325 702 HD21 ASN 107 1HD2 ASN 107 10.659 1.384 -6.819 703 HD22 ASN 107 2HD2 ASN 107 10.447 -0.324 -6.939 704 H TYR 108 H TYR 108 11.726 0.656 -2.936 705 HA TYR 108 HA TYR 108 9.075 1.372 -3.806 706 HB2 TYR 108 HB2 TYR 108 10.145 -0.426 -1.667 707 HB3 TYR 108 HB3 TYR 108 8.435 -0.041 -1.756 708 HD1 TYR 108 HD1 TYR 108 7.979 -0.074 -4.681 709 HD2 TYR 108 HD2 TYR 108 10.275 -2.675 -2.227 710 HE1 TYR 108 HE1 TYR 108 7.615 -1.904 -6.285 711 HE2 TYR 108 HE2 TYR 108 9.925 -4.505 -3.825 712 HH TYR 108 HH TYR 108 8.638 -4.016 -6.952 713 H ASN 109 H ASN 109 8.189 3.182 -3.253 714 HA ASN 109 HA ASN 109 9.103 4.763 -1.024 715 HB2 ASN 109 HB2 ASN 109 6.845 5.230 -2.989 716 HB3 ASN 109 HB3 ASN 109 7.364 6.392 -1.773 717 HD21 ASN 109 1HD2 ASN 109 7.259 6.574 -4.673 718 HD22 ASN 109 2HD2 ASN 109 8.861 6.998 -5.182 719 H TYR 110 H TYR 110 7.609 5.670 0.561 720 HA TYR 110 HA TYR 110 5.080 4.325 0.924 721 HB2 TYR 110 HB2 TYR 110 5.448 3.606 3.184 722 HB3 TYR 110 HB3 TYR 110 6.705 2.904 2.183 723 HD1 TYR 110 HD2 TYR 110 8.150 5.843 2.244 724 HD2 TYR 110 HD1 TYR 110 6.862 2.992 5.118 725 HE1 TYR 110 HE2 TYR 110 9.824 6.683 3.826 726 HE2 TYR 110 HE1 TYR 110 8.543 3.823 6.701 727 HH TYR 110 HH TYR 110 10.702 5.031 6.643 728 H ILE 111 H ILE 111 3.752 5.486 2.624 729 HA ILE 111 HA ILE 111 4.641 8.286 2.720 730 HB ILE 111 HB ILE 111 2.286 8.974 2.446 731 HG12 ILE 111 2HG1 ILE 111 1.845 6.025 1.909 732 HG13 ILE 111 3HG1 ILE 111 1.136 6.970 3.212 733 HG21 ILE 111 2HG2 ILE 111 2.178 8.471 0.038 734 HG22 ILE 111 1HG2 ILE 111 3.423 7.241 0.254 735 HG23 ILE 111 3HG2 ILE 111 3.800 8.937 0.552 736 HD11 ILE 111 3HD1 ILE 111 -0.485 6.595 1.468 737 HD12 ILE 111 2HD1 ILE 111 0.599 7.305 0.266 738 HD13 ILE 111 1HD1 ILE 111 -0.080 8.308 1.554 739 H HIS 112 H HIS 112 4.723 9.211 4.607 740 HA HIS 112 HA HIS 112 3.593 7.813 6.932 741 HB2 HIS 112 HB2 HIS 112 5.983 9.505 6.460 742 HB3 HIS 112 HB3 HIS 112 5.199 9.671 8.024 743 HD1 HIS 112 HD1 HIS 112 5.133 7.552 9.545 744 HD2 HIS 112 HD2 HIS 112 7.486 7.181 6.120 745 HE1 HIS 112 HE1 HIS 112 6.640 5.593 9.969 746 HE2 HIS 112 HE2 HIS 112 8.233 5.577 8.027 747 H ILE 113 H ILE 113 2.361 8.872 8.455 748 HA ILE 113 HA ILE 113 1.017 11.299 7.699 749 HB ILE 113 HB ILE 113 0.915 9.590 10.188 750 HG12 ILE 113 2HG1 ILE 113 -0.176 8.690 8.184 751 HG13 ILE 113 3HG1 ILE 113 -1.353 9.094 9.432 752 HG21 ILE 113 2HG2 ILE 113 -0.628 12.118 9.635 753 HG22 ILE 113 1HG2 ILE 113 0.555 11.860 10.920 754 HG23 ILE 113 3HG2 ILE 113 -0.975 10.981 10.938 755 HD11 ILE 113 3HD1 ILE 113 -1.914 11.145 8.258 756 HD12 ILE 113 2HD1 ILE 113 -2.116 9.741 7.209 757 HD13 ILE 113 1HD1 ILE 113 -0.705 10.785 7.025 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 -31.094 -8.244 2.286 2 H2 GLY 1 H2 GLY 1 -31.965 -9.399 3.173 3 H3 GLY 1 H3 GLY 1 -30.593 -9.864 2.293 4 HA2 GLY 1 HA2 GLY 1 -30.609 -8.052 4.640 5 HA3 GLY 1 HA1 GLY 1 -30.100 -9.736 4.650 6 H SER 2 H SER 2 -28.176 -8.514 5.560 7 HA SER 2 HA SER 2 -26.095 -7.629 5.418 8 HB2 SER 2 HB2 SER 2 -24.656 -8.626 3.623 9 HB3 SER 2 HB3 SER 2 -25.574 -9.809 4.550 10 HG SER 2 HG SER 2 -26.975 -8.970 2.384 11 H SER 3 H SER 3 -27.876 -5.748 4.654 12 HA SER 3 HA SER 3 -27.065 -4.594 2.135 13 HB2 SER 3 HB2 SER 3 -28.830 -3.480 4.331 14 HB3 SER 3 HB3 SER 3 -28.625 -2.784 2.722 15 HG SER 3 HG SER 3 -29.332 -4.984 1.985 16 H ILE 4 H ILE 4 -25.173 -3.634 1.974 17 HA ILE 4 HA ILE 4 -24.188 -2.037 4.242 18 HB ILE 4 HB ILE 4 -22.733 -3.939 3.788 19 HG12 ILE 4 2HG1 ILE 4 -21.486 -1.370 2.788 20 HG13 ILE 4 3HG1 ILE 4 -21.707 -1.798 4.481 21 HG21 ILE 4 2HG2 ILE 4 -21.564 -4.167 1.638 22 HG22 ILE 4 1HG2 ILE 4 -22.536 -2.847 0.984 23 HG23 ILE 4 3HG2 ILE 4 -23.310 -4.353 1.476 24 HD11 ILE 4 3HD1 ILE 4 -20.198 -3.689 4.206 25 HD12 ILE 4 2HD1 ILE 4 -19.420 -2.175 3.750 26 HD13 ILE 4 1HD1 ILE 4 -19.991 -3.284 2.503 27 H SER 5 H SER 5 -23.465 0.053 3.836 28 HA SER 5 HA SER 5 -24.435 1.202 1.346 29 HB2 SER 5 HB2 SER 5 -24.966 2.314 3.507 30 HB3 SER 5 HB3 SER 5 -23.243 2.593 3.762 31 HG SER 5 HG SER 5 -24.407 3.460 1.358 32 H HIS 6 H HIS 6 -23.037 0.669 -0.222 33 HA HIS 6 HA HIS 6 -21.201 0.654 -1.534 34 HB2 HIS 6 HB2 HIS 6 -20.264 2.850 0.328 35 HB3 HIS 6 HB3 HIS 6 -19.420 2.374 -1.141 36 HD1 HIS 6 HD1 HIS 6 -20.999 2.582 -3.394 37 HD2 HIS 6 HD2 HIS 6 -22.096 4.817 -0.064 38 HE1 HIS 6 HE1 HIS 6 -22.539 4.374 -4.256 39 HE2 HIS 6 HE2 HIS 6 -23.343 5.583 -2.200 40 H SER 7 H SER 7 -19.467 1.441 1.449 41 HA SER 7 HA SER 7 -18.712 -1.262 1.987 42 HB2 SER 7 HB2 SER 7 -16.621 0.624 0.850 43 HB3 SER 7 HB3 SER 7 -16.260 -0.914 1.631 44 HG SER 7 HG SER 7 -18.129 -1.154 -0.342 45 H GLY 8 H GLY 8 -16.861 -1.190 3.747 46 HA2 GLY 8 HA1 GLY 8 -17.676 0.606 5.816 47 HA3 GLY 8 HA2 GLY 8 -16.307 -0.499 5.882 48 H ASN 9 H ASN 9 -15.036 0.489 3.525 49 HA ASN 9 HA ASN 9 -14.080 3.089 4.492 50 HB2 ASN 9 HB2 ASN 9 -12.042 2.627 3.175 51 HB3 ASN 9 HB3 ASN 9 -12.334 1.403 4.404 52 HD21 ASN 9 1HD2 ASN 9 -10.689 1.097 2.128 53 HD22 ASN 9 2HD2 ASN 9 -11.374 -0.159 1.160 54 H LEU 10 H LEU 10 -12.912 4.106 2.259 55 HA LEU 10 HA LEU 10 -15.315 5.008 0.905 56 HB2 LEU 10 HB2 LEU 10 -12.480 6.003 0.785 57 HB3 LEU 10 HB3 LEU 10 -13.868 6.808 0.074 58 HG LEU 10 HG LEU 10 -13.398 6.375 3.028 59 HD11 LEU 10 2HD1 LEU 10 -11.943 8.072 2.096 60 HD12 LEU 10 1HD1 LEU 10 -13.191 8.817 3.094 61 HD13 LEU 10 3HD1 LEU 10 -13.321 8.866 1.336 62 HD21 LEU 10 3HD2 LEU 10 -15.389 7.747 3.353 63 HD22 LEU 10 2HD2 LEU 10 -15.774 6.272 2.468 64 HD23 LEU 10 1HD2 LEU 10 -15.643 7.807 1.609 65 H TYR 11 H TYR 11 -12.638 2.978 0.201 66 HA TYR 11 HA TYR 11 -12.408 3.758 -2.556 67 HB2 TYR 11 HB2 TYR 11 -10.631 2.760 -0.832 68 HB3 TYR 11 HB3 TYR 11 -11.149 1.253 -1.577 69 HD1 TYR 11 HD1 TYR 11 -10.712 0.830 -3.960 70 HD2 TYR 11 HD2 TYR 11 -9.355 4.385 -2.062 71 HE1 TYR 11 HE1 TYR 11 -9.193 1.250 -5.843 72 HE2 TYR 11 HE2 TYR 11 -7.835 4.813 -3.945 73 HH TYR 11 HH TYR 11 -8.064 3.329 -6.873 74 H THR 12 H THR 12 -12.250 1.844 -4.182 75 HA THR 12 HA THR 12 -14.809 1.012 -4.792 76 HB THR 12 HB THR 12 -12.238 -0.271 -5.737 77 HG1 THR 12 HG1 THR 12 -13.599 2.101 -6.548 78 HG21 THR 12 3HG2 THR 12 -14.894 0.029 -7.146 79 HG22 THR 12 1HG2 THR 12 -14.311 -1.458 -6.396 80 HG23 THR 12 2HG2 THR 12 -13.449 -0.769 -7.772 81 H ALA 13 H ALA 13 -12.416 -1.554 -4.609 82 HA ALA 13 HA ALA 13 -13.357 -2.979 -2.419 83 HB1 ALA 13 HB1 ALA 13 -14.619 -3.903 -4.997 84 HB2 ALA 13 HB2 ALA 13 -14.777 -4.667 -3.416 85 HB3 ALA 13 HB3 ALA 13 -15.476 -3.071 -3.699 86 H GLY 14 H GLY 14 -11.778 -4.361 -1.985 87 HA2 GLY 14 HA1 GLY 14 -10.362 -6.150 -2.266 88 HA3 GLY 14 HA2 GLY 14 -10.892 -6.251 -3.933 89 H GLN 15 H GLN 15 -9.959 -3.199 -3.882 90 HA GLN 15 HA GLN 15 -7.674 -3.759 -5.462 91 HB2 GLN 15 HB2 GLN 15 -8.480 -1.111 -4.241 92 HB3 GLN 15 HB3 GLN 15 -7.389 -1.342 -5.600 93 HG2 GLN 15 HG2 GLN 15 -10.285 -2.152 -5.615 94 HG3 GLN 15 HG3 GLN 15 -9.682 -0.609 -6.219 95 HE21 GLN 15 1HE2 GLN 15 -9.637 -4.069 -6.679 96 HE22 GLN 15 2HE2 GLN 15 -9.201 -4.025 -8.347 97 H CYS 16 H CYS 16 -5.450 -3.060 -5.106 98 HA CYS 16 HA CYS 16 -4.327 -3.662 -2.627 99 HB2 CYS 16 HB2 CYS 16 -3.241 -1.858 -4.800 100 HB3 CYS 16 HB3 CYS 16 -2.302 -2.476 -3.445 101 HG CYS 16 HG CYS 16 -1.427 -4.396 -4.914 102 H THR 17 H THR 17 -5.277 -0.584 -4.040 103 HA THR 17 HA THR 17 -4.334 1.010 -1.868 104 HB THR 17 HB THR 17 -6.041 2.668 -3.034 105 HG1 THR 17 HG1 THR 17 -6.459 2.038 -5.173 106 HG21 THR 17 3HG2 THR 17 -3.599 2.870 -3.107 107 HG22 THR 17 1HG2 THR 17 -4.322 3.236 -4.675 108 HG23 THR 17 2HG2 THR 17 -3.539 1.678 -4.407 109 H TRP 18 H TRP 18 -7.292 -0.612 -2.671 110 HA TRP 18 HA TRP 18 -8.951 0.542 -0.671 111 HB2 TRP 18 HB2 TRP 18 -9.834 -0.634 -2.651 112 HB3 TRP 18 HB3 TRP 18 -9.112 -2.133 -2.084 113 HD1 TRP 18 HD1 TRP 18 -12.034 0.243 -1.384 114 HE1 TRP 18 HE1 TRP 18 -13.774 -1.032 0.012 115 HE3 TRP 18 HE3 TRP 18 -9.369 -4.013 -0.391 116 HZ2 TRP 18 HZ2 TRP 18 -13.999 -3.482 1.372 117 HZ3 TRP 18 HZ3 TRP 18 -10.426 -5.763 0.973 118 HH2 TRP 18 HH2 TRP 18 -12.692 -5.508 1.837 119 H TYR 19 H TYR 19 -7.130 -2.503 -0.903 120 HA TYR 19 HA TYR 19 -7.743 -3.463 1.670 121 HB2 TYR 19 HB2 TYR 19 -6.884 -4.845 -0.168 122 HB3 TYR 19 HB3 TYR 19 -5.341 -4.009 -0.080 123 HD1 TYR 19 HD2 TYR 19 -7.570 -5.549 2.510 124 HD2 TYR 19 HD1 TYR 19 -3.726 -5.415 0.698 125 HE1 TYR 19 HE2 TYR 19 -6.762 -7.234 4.114 126 HE2 TYR 19 HE1 TYR 19 -2.907 -7.090 2.291 127 HH TYR 19 HH TYR 19 -3.355 -8.186 4.207 128 H VAL 20 H VAL 20 -4.965 -1.587 0.475 129 HA VAL 20 HA VAL 20 -3.513 -1.494 2.864 130 HB VAL 20 HB VAL 20 -3.675 0.488 0.592 131 HG11 VAL 20 2HG1 VAL 20 -1.744 0.488 2.914 132 HG12 VAL 20 1HG1 VAL 20 -3.005 1.684 2.615 133 HG13 VAL 20 3HG1 VAL 20 -1.652 1.529 1.493 134 HG21 VAL 20 3HG2 VAL 20 -1.587 -1.542 1.378 135 HG22 VAL 20 2HG2 VAL 20 -1.471 -0.424 0.018 136 HG23 VAL 20 1HG2 VAL 20 -2.716 -1.675 0.029 137 H TYR 21 H TYR 21 -6.061 0.656 1.644 138 HA TYR 21 HA TYR 21 -5.876 2.555 3.700 139 HB2 TYR 21 HB2 TYR 21 -7.075 2.890 1.529 140 HB3 TYR 21 HB3 TYR 21 -8.366 1.855 2.138 141 HD1 TYR 21 HD1 TYR 21 -6.394 4.799 3.298 142 HD2 TYR 21 HD2 TYR 21 -10.196 2.923 3.018 143 HE1 TYR 21 HE1 TYR 21 -7.409 6.733 4.408 144 HE2 TYR 21 HE2 TYR 21 -11.239 4.858 4.109 145 HH TYR 21 HH TYR 21 -10.773 6.715 5.408 146 H ASP 22 H ASP 22 -7.725 -0.441 3.433 147 HA ASP 22 HA ASP 22 -9.180 -0.067 5.847 148 HB2 ASP 22 HB2 ASP 22 -9.965 -1.660 4.191 149 HB3 ASP 22 HB3 ASP 22 -8.485 -2.599 4.343 150 H LYS 23 H LYS 23 -6.171 -1.776 5.063 151 HA LYS 23 HA LYS 23 -5.748 -2.904 7.606 152 HB2 LYS 23 HB2 LYS 23 -3.822 -2.244 5.383 153 HB3 LYS 23 HB3 LYS 23 -3.366 -3.138 6.828 154 HG2 LYS 23 HG2 LYS 23 -5.636 -4.060 5.110 155 HG3 LYS 23 HG3 LYS 23 -3.966 -4.436 4.687 156 HD2 LYS 23 HD2 LYS 23 -5.125 -5.050 7.398 157 HD3 LYS 23 HD3 LYS 23 -5.223 -6.181 6.046 158 HE2 LYS 23 HE2 LYS 23 -2.733 -6.038 5.856 159 HE3 LYS 23 HE3 LYS 23 -2.731 -5.079 7.332 160 HZ1 LYS 23 HZ1 LYS 23 -2.303 -7.562 7.531 161 HZ2 LYS 23 HZ2 LYS 23 -3.966 -7.763 7.252 162 HZ3 LYS 23 HZ3 LYS 23 -3.434 -6.883 8.599 163 H VAL 24 H VAL 24 -4.781 0.225 6.252 164 HA VAL 24 HA VAL 24 -3.178 0.887 8.550 165 HB VAL 24 HB VAL 24 -2.981 3.127 7.614 166 HG11 VAL 24 2HG1 VAL 24 -2.669 0.961 5.540 167 HG12 VAL 24 1HG1 VAL 24 -1.493 1.413 6.775 168 HG13 VAL 24 3HG1 VAL 24 -1.900 2.549 5.489 169 HG21 VAL 24 3HG2 VAL 24 -4.934 2.205 5.503 170 HG22 VAL 24 2HG2 VAL 24 -4.060 3.736 5.505 171 HG23 VAL 24 1HG2 VAL 24 -5.253 3.401 6.759 172 H GLY 25 H GLY 25 -6.460 0.727 8.028 173 HA2 GLY 25 HA1 GLY 25 -8.087 1.050 9.660 174 HA3 GLY 25 HA2 GLY 25 -6.920 1.956 10.609 175 H GLY 26 H GLY 26 -7.228 2.902 7.338 176 HA2 GLY 26 HA1 GLY 26 -8.230 4.716 6.335 177 HA3 GLY 26 HA2 GLY 26 -9.340 4.795 7.694 178 H GLU 27 H GLU 27 -5.926 4.864 8.255 179 HA GLU 27 HA GLU 27 -6.091 7.446 9.483 180 HB2 GLU 27 HB2 GLU 27 -4.644 5.721 10.416 181 HB3 GLU 27 HB3 GLU 27 -3.735 5.638 8.915 182 HG2 GLU 27 HG2 GLU 27 -2.475 6.857 10.543 183 HG3 GLU 27 HG3 GLU 27 -2.989 7.960 9.269 184 H ILE 28 H ILE 28 -4.395 6.153 6.650 185 HA ILE 28 HA ILE 28 -3.733 8.908 5.866 186 HB ILE 28 HB ILE 28 -1.888 7.766 4.508 187 HG12 ILE 28 2HG1 ILE 28 -1.226 5.598 5.973 188 HG13 ILE 28 3HG1 ILE 28 -2.989 5.483 6.044 189 HG21 ILE 28 2HG2 ILE 28 -0.383 7.661 6.445 190 HG22 ILE 28 1HG2 ILE 28 -1.784 7.718 7.515 191 HG23 ILE 28 3HG2 ILE 28 -1.417 9.091 6.470 192 HD11 ILE 28 3HD1 ILE 28 -2.119 4.159 4.236 193 HD12 ILE 28 2HD1 ILE 28 -1.299 5.568 3.558 194 HD13 ILE 28 1HD1 ILE 28 -3.060 5.510 3.601 195 H GLY 29 H GLY 29 -4.233 9.650 3.874 196 HA2 GLY 29 HA1 GLY 29 -4.179 9.328 1.524 197 HA3 GLY 29 HA2 GLY 29 -4.684 7.668 1.768 198 H SER 30 H SER 30 -6.816 7.195 2.095 199 HA SER 30 HA SER 30 -8.977 7.190 1.545 200 HB2 SER 30 HB2 SER 30 -10.403 9.056 2.176 201 HB3 SER 30 HB3 SER 30 -9.219 8.731 3.437 202 HG SER 30 HG SER 30 -9.308 10.932 3.125 203 H THR 31 H THR 31 -7.631 10.227 0.274 204 HA THR 31 HA THR 31 -9.067 9.684 -2.242 205 HB THR 31 HB THR 31 -9.964 11.620 -0.968 206 HG1 THR 31 HG1 THR 31 -9.352 11.544 -3.517 207 HG21 THR 31 3HG2 THR 31 -8.632 13.671 -0.775 208 HG22 THR 31 1HG2 THR 31 -7.228 12.816 -1.416 209 HG23 THR 31 2HG2 THR 31 -7.915 12.341 0.136 210 H TRP 32 H TRP 32 -6.367 8.852 -1.422 211 HA TRP 32 HA TRP 32 -4.399 10.500 -2.631 212 HB2 TRP 32 HB2 TRP 32 -2.933 8.495 -2.451 213 HB3 TRP 32 HB3 TRP 32 -3.738 8.919 -0.942 214 HD1 TRP 32 HD1 TRP 32 -5.439 6.963 -3.753 215 HE1 TRP 32 HE1 TRP 32 -6.053 4.648 -2.886 216 HE3 TRP 32 HE3 TRP 32 -3.114 7.203 0.759 217 HZ2 TRP 32 HZ2 TRP 32 -5.615 3.088 -0.564 218 HZ3 TRP 32 HZ3 TRP 32 -3.256 5.251 2.260 219 HH2 TRP 32 HH2 TRP 32 -4.476 3.236 1.613 220 H GLY 33 H GLY 33 -6.826 8.784 -4.091 221 HA2 GLY 33 HA1 GLY 33 -7.123 8.537 -6.415 222 HA3 GLY 33 HA2 GLY 33 -5.400 8.834 -6.611 223 H ASN 34 H ASN 34 -4.446 7.194 -7.505 224 HA ASN 34 HA ASN 34 -5.056 4.519 -6.455 225 HB2 ASN 34 HB2 ASN 34 -3.955 5.146 -9.211 226 HB3 ASN 34 HB3 ASN 34 -4.375 3.557 -8.586 227 HD21 ASN 34 1HD2 ASN 34 -5.532 6.470 -9.998 228 HD22 ASN 34 2HD2 ASN 34 -7.173 5.975 -10.203 229 H ALA 35 H ALA 35 -2.975 3.081 -7.140 230 HA ALA 35 HA ALA 35 -1.081 3.855 -5.227 231 HB1 ALA 35 HB1 ALA 35 -0.829 1.772 -7.387 232 HB2 ALA 35 HB2 ALA 35 0.181 1.902 -5.946 233 HB3 ALA 35 HB3 ALA 35 -1.535 1.534 -5.789 234 H ASN 36 H ASN 36 -1.064 4.179 -8.741 235 HA ASN 36 HA ASN 36 1.691 4.924 -8.888 236 HB2 ASN 36 HB2 ASN 36 1.207 5.490 -11.226 237 HB3 ASN 36 HB3 ASN 36 0.572 3.909 -10.795 238 HD21 ASN 36 1HD2 ASN 36 -0.194 5.617 -12.977 239 HD22 ASN 36 2HD2 ASN 36 -1.886 5.930 -12.773 240 H ASN 37 H ASN 37 -1.129 6.602 -8.017 241 HA ASN 37 HA ASN 37 0.079 9.228 -8.567 242 HB2 ASN 37 HB2 ASN 37 -2.291 8.805 -9.270 243 HB3 ASN 37 HB3 ASN 37 -2.710 8.573 -7.578 244 HD21 ASN 37 1HD2 ASN 37 -4.092 10.253 -7.405 245 HD22 ASN 37 2HD2 ASN 37 -3.625 11.914 -7.524 246 H TRP 38 H TRP 38 0.200 6.971 -6.278 247 HA TRP 38 HA TRP 38 -0.735 7.968 -3.901 248 HB2 TRP 38 HB2 TRP 38 1.073 5.885 -4.721 249 HB3 TRP 38 HB3 TRP 38 1.639 6.658 -3.236 250 HD1 TRP 38 HD1 TRP 38 -2.002 5.850 -4.288 251 HE1 TRP 38 HE1 TRP 38 -3.037 4.471 -2.419 252 HE3 TRP 38 HE3 TRP 38 2.110 5.386 -1.319 253 HZ2 TRP 38 HZ2 TRP 38 -2.192 3.324 0.101 254 HZ3 TRP 38 HZ3 TRP 38 1.933 4.148 0.785 255 HH2 TRP 38 HH2 TRP 38 -0.172 3.136 1.479 256 H ALA 39 H ALA 39 2.658 8.225 -5.006 257 HA ALA 39 HA ALA 39 3.544 9.623 -2.762 258 HB1 ALA 39 HB1 ALA 39 5.130 8.542 -4.196 259 HB2 ALA 39 HB2 ALA 39 4.675 9.574 -5.556 260 HB3 ALA 39 HB3 ALA 39 5.496 10.266 -4.159 261 H ALA 40 H ALA 40 2.199 10.822 -5.801 262 HA ALA 40 HA ALA 40 2.700 13.569 -5.268 263 HB1 ALA 40 HB1 ALA 40 2.289 12.714 -7.526 264 HB2 ALA 40 HB2 ALA 40 0.629 12.325 -7.074 265 HB3 ALA 40 HB3 ALA 40 1.165 14.006 -7.106 266 H ALA 41 H ALA 41 -0.175 11.509 -4.873 267 HA ALA 41 HA ALA 41 -1.850 13.564 -3.870 268 HB1 ALA 41 HB1 ALA 41 -2.093 10.576 -3.482 269 HB2 ALA 41 HB2 ALA 41 -3.369 11.766 -3.241 270 HB3 ALA 41 HB3 ALA 41 -2.718 11.488 -4.854 271 H ALA 42 H ALA 42 0.115 11.086 -2.306 272 HA ALA 42 HA ALA 42 -0.681 11.471 0.343 273 HB1 ALA 42 HB1 ALA 42 1.975 10.593 -0.779 274 HB2 ALA 42 HB2 ALA 42 1.498 10.450 0.914 275 HB3 ALA 42 HB3 ALA 42 0.615 9.564 -0.328 276 H GLN 43 H GLN 43 2.077 12.911 -1.422 277 HA GLN 43 HA GLN 43 2.969 14.517 0.721 278 HB2 GLN 43 HB2 GLN 43 3.372 14.837 -2.256 279 HB3 GLN 43 HB3 GLN 43 4.209 15.787 -1.037 280 HG2 GLN 43 HG2 GLN 43 5.271 13.811 -0.161 281 HG3 GLN 43 HG3 GLN 43 4.350 12.789 -1.265 282 HE21 GLN 43 1HE2 GLN 43 6.173 11.940 -2.228 283 HE22 GLN 43 2HE2 GLN 43 7.189 12.853 -3.289 284 H GLY 44 H GLY 44 0.681 15.070 -1.894 285 HA2 GLY 44 HA1 GLY 44 0.209 17.813 -1.408 286 HA3 GLY 44 HA2 GLY 44 -0.900 16.707 -2.209 287 H ALA 45 H ALA 45 -1.089 14.888 0.028 288 HA ALA 45 HA ALA 45 -3.075 16.251 1.587 289 HB1 ALA 45 HB1 ALA 45 -3.349 13.913 0.928 290 HB2 ALA 45 HB2 ALA 45 -1.945 13.472 1.900 291 HB3 ALA 45 HB3 ALA 45 -3.398 14.096 2.682 292 H GLY 46 H GLY 46 0.291 15.693 1.882 293 HA2 GLY 46 HA1 GLY 46 1.512 17.094 3.407 294 HA3 GLY 46 HA2 GLY 46 0.185 16.942 4.547 295 H PHE 47 H PHE 47 1.301 14.106 2.873 296 HA PHE 47 HA PHE 47 2.136 12.956 5.392 297 HB2 PHE 47 HB2 PHE 47 2.224 11.786 2.602 298 HB3 PHE 47 HB3 PHE 47 2.567 10.906 4.083 299 HD1 PHE 47 HD1 PHE 47 0.022 12.945 5.071 300 HD2 PHE 47 HD2 PHE 47 0.734 9.643 2.488 301 HE1 PHE 47 HE1 PHE 47 -2.352 12.322 5.212 302 HE2 PHE 47 HE2 PHE 47 -1.636 9.005 2.619 303 HZ PHE 47 HZ PHE 47 -3.179 10.361 3.981 304 H THR 48 H THR 48 4.204 11.981 5.712 305 HA THR 48 HA THR 48 6.390 13.337 4.302 306 HB THR 48 HB THR 48 6.683 11.557 6.722 307 HG1 THR 48 HG1 THR 48 5.337 13.065 7.562 308 HG21 THR 48 3HG2 THR 48 8.292 13.895 5.682 309 HG22 THR 48 1HG2 THR 48 8.722 12.192 5.526 310 HG23 THR 48 2HG2 THR 48 8.665 12.945 7.120 311 H VAL 49 H VAL 49 6.670 12.154 2.429 312 HA VAL 49 HA VAL 49 6.823 9.246 2.771 313 HB VAL 49 HB VAL 49 5.881 8.894 0.774 314 HG11 VAL 49 2HG1 VAL 49 4.315 10.413 1.788 315 HG12 VAL 49 1HG1 VAL 49 4.314 10.616 0.036 316 HG13 VAL 49 3HG1 VAL 49 5.137 11.793 1.061 317 HG21 VAL 49 3HG2 VAL 49 7.333 11.284 -0.342 318 HG22 VAL 49 2HG2 VAL 49 6.269 10.227 -1.272 319 HG23 VAL 49 1HG2 VAL 49 7.745 9.579 -0.559 320 H ASN 50 H ASN 50 8.630 8.221 2.513 321 HA ASN 50 HA ASN 50 10.800 9.468 0.981 322 HB2 ASN 50 HB2 ASN 50 11.309 7.442 3.159 323 HB3 ASN 50 HB3 ASN 50 12.432 8.594 2.449 324 HD21 ASN 50 1HD2 ASN 50 10.270 7.948 4.966 325 HD22 ASN 50 2HD2 ASN 50 10.368 9.478 5.768 326 H HIS 51 H HIS 51 12.106 6.699 1.485 327 HA HIS 51 HA HIS 51 10.130 4.919 0.399 328 HB2 HIS 51 HB2 HIS 51 11.682 4.165 -1.493 329 HB3 HIS 51 HB3 HIS 51 10.832 5.685 -1.720 330 HD1 HIS 51 HD1 HIS 51 14.236 4.225 -1.387 331 HD2 HIS 51 HD2 HIS 51 12.472 7.971 -1.756 332 HE1 HIS 51 HE1 HIS 51 16.108 5.801 -1.969 333 HE2 HIS 51 HE2 HIS 51 14.986 8.024 -2.361 334 H THR 52 H THR 52 10.411 3.951 2.353 335 HA THR 52 HA THR 52 12.338 1.833 2.375 336 HB THR 52 HB THR 52 12.406 3.865 4.634 337 HG1 THR 52 HG1 THR 52 13.825 3.689 2.340 338 HG21 THR 52 3HG2 THR 52 14.190 2.463 5.568 339 HG22 THR 52 1HG2 THR 52 13.965 1.299 4.262 340 HG23 THR 52 2HG2 THR 52 12.677 1.568 5.437 341 HA PRO 53 HA PRO 53 8.215 0.628 3.944 342 HB2 PRO 53 HB2 PRO 53 8.799 -2.071 3.842 343 HB3 PRO 53 HB3 PRO 53 8.126 -1.134 2.504 344 HG2 PRO 53 HG2 PRO 53 10.969 -1.907 3.035 345 HG3 PRO 53 HG3 PRO 53 10.074 -1.913 1.503 346 HD2 PRO 53 HD2 PRO 53 11.788 0.049 2.073 347 HD3 PRO 53 HD3 PRO 53 10.248 0.387 1.248 348 H SER 54 H SER 54 7.463 -0.331 5.854 349 HA SER 54 HA SER 54 9.288 -1.310 7.841 350 HB2 SER 54 HB2 SER 54 8.633 0.574 9.455 351 HB3 SER 54 HB3 SER 54 9.807 0.980 8.203 352 HG SER 54 HG SER 54 8.279 2.594 8.239 353 H LYS 55 H LYS 55 8.079 -1.805 9.897 354 HA LYS 55 HA LYS 55 5.756 -3.253 9.179 355 HB2 LYS 55 HB2 LYS 55 7.351 -3.897 10.990 356 HB3 LYS 55 HB3 LYS 55 6.718 -2.575 11.963 357 HG2 LYS 55 HG2 LYS 55 4.535 -3.596 12.002 358 HG3 LYS 55 HG3 LYS 55 5.088 -4.882 10.927 359 HD2 LYS 55 HD2 LYS 55 6.761 -5.517 12.656 360 HD3 LYS 55 HD3 LYS 55 6.034 -4.323 13.734 361 HE2 LYS 55 HE2 LYS 55 4.642 -6.708 12.522 362 HE3 LYS 55 HE3 LYS 55 5.190 -6.568 14.190 363 HZ1 LYS 55 HZ1 LYS 55 2.882 -6.107 14.137 364 HZ2 LYS 55 HZ2 LYS 55 3.049 -4.999 12.866 365 HZ3 LYS 55 HZ3 LYS 55 3.668 -4.626 14.399 366 H GLY 56 H GLY 56 3.848 -2.364 8.742 367 HA2 GLY 56 HA1 GLY 56 1.837 -1.377 9.609 368 HA3 GLY 56 HA2 GLY 56 2.832 -0.309 10.590 369 H ALA 57 H ALA 57 4.340 -0.390 7.701 370 HA ALA 57 HA ALA 57 2.997 2.074 6.829 371 HB1 ALA 57 HB1 ALA 57 5.394 2.245 7.309 372 HB2 ALA 57 HB2 ALA 57 5.724 1.010 6.094 373 HB3 ALA 57 HB3 ALA 57 5.048 2.567 5.609 374 H ILE 58 H ILE 58 4.096 2.005 4.161 375 HA ILE 58 HA ILE 58 2.673 -0.268 2.970 376 HB ILE 58 HB ILE 58 2.293 2.501 1.837 377 HG12 ILE 58 2HG1 ILE 58 -0.095 2.177 2.916 378 HG13 ILE 58 3HG1 ILE 58 0.794 1.213 4.087 379 HG21 ILE 58 2HG2 ILE 58 1.773 0.746 0.316 380 HG22 ILE 58 1HG2 ILE 58 0.249 1.415 0.892 381 HG23 ILE 58 3HG2 ILE 58 0.839 -0.117 1.538 382 HD11 ILE 58 3HD1 ILE 58 1.351 4.092 3.414 383 HD12 ILE 58 2HD1 ILE 58 2.187 3.126 4.629 384 HD13 ILE 58 1HD1 ILE 58 0.477 3.514 4.832 385 H LEU 59 H LEU 59 3.052 -0.156 0.465 386 HA LEU 59 HA LEU 59 5.894 0.461 -0.022 387 HB2 LEU 59 HB2 LEU 59 4.855 -1.972 -0.001 388 HB3 LEU 59 HB3 LEU 59 4.325 -1.528 -1.610 389 HG LEU 59 HG LEU 59 6.752 -1.016 -2.130 390 HD11 LEU 59 2HD1 LEU 59 7.161 -2.559 0.430 391 HD12 LEU 59 1HD1 LEU 59 7.554 -0.859 0.168 392 HD13 LEU 59 3HD1 LEU 59 8.419 -2.110 -0.722 393 HD21 LEU 59 3HD2 LEU 59 7.276 -3.391 -2.490 394 HD22 LEU 59 2HD2 LEU 59 5.628 -2.984 -2.964 395 HD23 LEU 59 1HD2 LEU 59 5.924 -3.831 -1.446 396 H GLN 60 H GLN 60 6.346 0.875 -2.426 397 HA GLN 60 HA GLN 60 4.197 1.639 -4.134 398 HB2 GLN 60 HB2 GLN 60 3.965 3.600 -2.861 399 HB3 GLN 60 HB3 GLN 60 5.698 3.771 -2.633 400 HG2 GLN 60 HG2 GLN 60 4.939 5.474 -4.123 401 HG3 GLN 60 HG3 GLN 60 5.921 4.324 -5.028 402 HE21 GLN 60 1HE2 GLN 60 3.909 6.214 -5.941 403 HE22 GLN 60 2HE2 GLN 60 2.704 5.291 -6.763 404 H SER 61 H SER 61 4.814 1.466 -6.149 405 HA SER 61 HA SER 61 7.690 1.568 -6.778 406 HB2 SER 61 HB2 SER 61 6.886 -0.629 -7.231 407 HB3 SER 61 HB3 SER 61 5.425 -0.016 -7.998 408 HG SER 61 HG SER 61 8.066 -0.106 -8.990 409 H SER 62 H SER 62 4.609 2.932 -7.400 410 HA SER 62 HA SER 62 3.843 4.622 -8.686 411 HB2 SER 62 HB2 SER 62 6.733 5.032 -9.492 412 HB3 SER 62 HB3 SER 62 5.409 6.160 -9.790 413 HG SER 62 HG SER 62 6.802 6.505 -7.850 414 H GLU 63 H GLU 63 5.921 2.242 -10.134 415 HA GLU 63 HA GLU 63 4.861 2.590 -12.793 416 HB2 GLU 63 HB2 GLU 63 6.449 0.280 -11.655 417 HB3 GLU 63 HB3 GLU 63 6.214 0.656 -13.357 418 HG2 GLU 63 HG2 GLU 63 7.650 2.450 -11.416 419 HG3 GLU 63 HG3 GLU 63 8.448 1.264 -12.447 420 H GLY 64 H GLY 64 3.523 1.047 -13.864 421 HA2 GLY 64 HA1 GLY 64 2.334 -1.114 -13.689 422 HA3 GLY 64 HA2 GLY 64 1.972 -0.680 -12.024 423 HA PRO 65 HA PRO 65 -1.370 0.664 -15.248 424 HB2 PRO 65 HB2 PRO 65 -3.317 -1.014 -14.205 425 HB3 PRO 65 HB3 PRO 65 -2.366 -1.345 -15.656 426 HG2 PRO 65 HG2 PRO 65 -1.979 -2.325 -12.864 427 HG3 PRO 65 HG3 PRO 65 -1.767 -3.193 -14.396 428 HD2 PRO 65 HD2 PRO 65 0.332 -2.278 -12.999 429 HD3 PRO 65 HD3 PRO 65 0.328 -2.257 -14.775 430 H PHE 66 H PHE 66 -2.099 -0.502 -11.956 431 HA PHE 66 HA PHE 66 -3.378 2.067 -11.363 432 HB2 PHE 66 HB2 PHE 66 -3.348 -0.565 -9.871 433 HB3 PHE 66 HB3 PHE 66 -4.082 0.902 -9.240 434 HD1 PHE 66 HD1 PHE 66 -4.366 -1.792 -11.689 435 HD2 PHE 66 HD2 PHE 66 -6.149 1.754 -10.151 436 HE1 PHE 66 HE1 PHE 66 -6.470 -2.360 -12.828 437 HE2 PHE 66 HE2 PHE 66 -8.258 1.189 -11.288 438 HZ PHE 66 HZ PHE 66 -8.419 -0.868 -12.630 439 H GLY 67 H GLY 67 -0.408 0.705 -11.222 440 HA2 GLY 67 HA1 GLY 67 1.471 1.731 -10.149 441 HA3 GLY 67 HA2 GLY 67 0.396 2.254 -8.856 442 H HIS 68 H HIS 68 1.950 1.294 -7.367 443 HA HIS 68 HA HIS 68 1.274 -1.488 -6.836 444 HB2 HIS 68 HB2 HIS 68 4.080 -0.541 -7.383 445 HB3 HIS 68 HB3 HIS 68 3.781 -1.886 -6.295 446 HD1 HIS 68 HD1 HIS 68 3.883 -1.003 -9.908 447 HD2 HIS 68 HD2 HIS 68 2.799 -4.239 -7.525 448 HE1 HIS 68 HE1 HIS 68 3.787 -2.986 -11.453 449 HE2 HIS 68 HE2 HIS 68 3.173 -4.945 -9.989 450 H VAL 69 H VAL 69 0.157 -0.338 -4.991 451 HA VAL 69 HA VAL 69 2.175 0.124 -2.914 452 HB VAL 69 HB VAL 69 0.512 1.423 -1.676 453 HG11 VAL 69 2HG1 VAL 69 0.513 3.373 -3.190 454 HG12 VAL 69 1HG1 VAL 69 1.010 2.315 -4.512 455 HG13 VAL 69 3HG1 VAL 69 2.074 2.554 -3.126 456 HG21 VAL 69 3HG2 VAL 69 -1.531 0.377 -2.571 457 HG22 VAL 69 2HG2 VAL 69 -1.220 1.134 -4.134 458 HG23 VAL 69 1HG2 VAL 69 -1.565 2.133 -2.723 459 H ALA 70 H ALA 70 2.472 -1.592 -1.795 460 HA ALA 70 HA ALA 70 0.165 -3.234 -1.012 461 HB1 ALA 70 HB1 ALA 70 3.083 -4.000 -1.089 462 HB2 ALA 70 HB2 ALA 70 1.734 -5.055 -0.661 463 HB3 ALA 70 HB3 ALA 70 1.879 -4.429 -2.305 464 H TYR 71 H TYR 71 -0.284 -3.432 1.126 465 HA TYR 71 HA TYR 71 0.956 -1.564 2.886 466 HB2 TYR 71 HB2 TYR 71 -1.341 -1.896 3.255 467 HB3 TYR 71 HB3 TYR 71 -1.184 -3.656 3.210 468 HD1 TYR 71 HD1 TYR 71 -0.677 -0.644 5.263 469 HD2 TYR 71 HD2 TYR 71 -0.534 -4.898 5.149 470 HE1 TYR 71 HE1 TYR 71 -0.513 -0.694 7.717 471 HE2 TYR 71 HE2 TYR 71 -0.377 -4.956 7.605 472 HH TYR 71 HH TYR 71 0.152 -3.650 9.450 473 H VAL 72 H VAL 72 2.580 -1.858 4.267 474 HA VAL 72 HA VAL 72 4.045 -4.342 4.104 475 HB VAL 72 HB VAL 72 4.732 -1.901 5.740 476 HG11 VAL 72 2HG1 VAL 72 5.958 -3.911 6.355 477 HG12 VAL 72 1HG1 VAL 72 7.024 -2.748 5.569 478 HG13 VAL 72 3HG1 VAL 72 6.437 -4.151 4.675 479 HG21 VAL 72 3HG2 VAL 72 4.419 -1.260 3.400 480 HG22 VAL 72 2HG2 VAL 72 5.542 -2.527 2.902 481 HG23 VAL 72 1HG2 VAL 72 6.118 -1.168 3.873 482 H GLU 73 H GLU 73 3.392 -5.951 5.344 483 HA GLU 73 HA GLU 73 1.983 -5.616 7.796 484 HB2 GLU 73 HB2 GLU 73 3.266 -8.012 6.476 485 HB3 GLU 73 HB3 GLU 73 2.353 -8.115 7.975 486 HG2 GLU 73 HG2 GLU 73 1.125 -6.891 5.542 487 HG3 GLU 73 HG3 GLU 73 1.188 -8.640 5.724 488 H SER 74 H SER 74 5.320 -5.978 6.887 489 HA SER 74 HA SER 74 6.430 -5.198 9.291 490 HB2 SER 74 HB2 SER 74 5.415 -7.317 10.168 491 HB3 SER 74 HB3 SER 74 6.423 -8.219 9.039 492 HG SER 74 HG SER 74 7.426 -8.142 11.050 493 H VAL 75 H VAL 75 8.751 -5.460 9.329 494 HA VAL 75 HA VAL 75 9.878 -6.349 6.768 495 HB VAL 75 HB VAL 75 10.257 -3.972 7.027 496 HG11 VAL 75 2HG1 VAL 75 10.033 -3.774 9.437 497 HG12 VAL 75 1HG1 VAL 75 11.537 -3.037 8.889 498 HG13 VAL 75 3HG1 VAL 75 11.563 -4.621 9.665 499 HG21 VAL 75 3HG2 VAL 75 12.710 -3.913 6.900 500 HG22 VAL 75 2HG2 VAL 75 12.038 -5.264 5.989 501 HG23 VAL 75 1HG2 VAL 75 12.775 -5.546 7.566 502 H ASN 76 H ASN 76 11.131 -8.080 6.863 503 HA ASN 76 HA ASN 76 11.354 -9.438 9.361 504 HB2 ASN 76 HB2 ASN 76 12.393 -10.194 6.625 505 HB3 ASN 76 HB3 ASN 76 12.409 -11.250 8.033 506 HD21 ASN 76 1HD2 ASN 76 10.452 -9.748 5.597 507 HD22 ASN 76 2HD2 ASN 76 9.006 -10.661 5.892 508 H SER 77 H SER 77 13.331 -10.334 10.214 509 HA SER 77 HA SER 77 15.298 -8.352 10.593 510 HB2 SER 77 HB2 SER 77 16.471 -10.385 11.744 511 HB3 SER 77 HB3 SER 77 14.977 -9.739 12.421 512 HG SER 77 HG SER 77 15.481 -12.184 11.269 513 H ASP 78 H ASP 78 14.936 -10.679 8.157 514 HA ASP 78 HA ASP 78 17.760 -10.888 7.535 515 HB2 ASP 78 HB2 ASP 78 15.275 -11.941 6.187 516 HB3 ASP 78 HB3 ASP 78 16.879 -12.122 5.488 517 H GLY 79 H GLY 79 15.515 -8.532 7.135 518 HA2 GLY 79 HA1 GLY 79 15.972 -6.510 5.986 519 HA3 GLY 79 HA2 GLY 79 16.992 -7.405 4.866 520 H SER 80 H SER 80 14.727 -9.464 4.796 521 HA SER 80 HA SER 80 13.437 -8.428 2.477 522 HB2 SER 80 HB2 SER 80 12.699 -10.902 4.053 523 HB3 SER 80 HB3 SER 80 12.330 -10.560 2.362 524 HG SER 80 HG SER 80 14.166 -11.988 2.718 525 H VAL 81 H VAL 81 11.335 -7.788 2.216 526 HA VAL 81 HA VAL 81 9.989 -7.016 4.718 527 HB VAL 81 HB VAL 81 9.846 -5.731 1.983 528 HG11 VAL 81 2HG1 VAL 81 8.540 -4.934 4.580 529 HG12 VAL 81 1HG1 VAL 81 7.724 -5.509 3.125 530 HG13 VAL 81 3HG1 VAL 81 8.564 -3.958 3.111 531 HG21 VAL 81 3HG2 VAL 81 11.967 -5.336 3.093 532 HG22 VAL 81 2HG2 VAL 81 11.128 -4.823 4.557 533 HG23 VAL 81 1HG2 VAL 81 11.005 -3.856 3.085 534 H THR 82 H THR 82 8.049 -7.799 5.154 535 HA THR 82 HA THR 82 6.709 -9.465 3.174 536 HB THR 82 HB THR 82 6.233 -9.083 6.139 537 HG1 THR 82 HG1 THR 82 6.782 -11.602 5.339 538 HG21 THR 82 3HG2 THR 82 4.837 -10.961 4.220 539 HG22 THR 82 1HG2 THR 82 4.113 -9.550 4.990 540 HG23 THR 82 2HG2 THR 82 4.624 -10.923 5.971 541 H ILE 83 H ILE 83 5.281 -8.505 1.891 542 HA ILE 83 HA ILE 83 3.716 -6.258 2.974 543 HB ILE 83 HB ILE 83 3.430 -5.516 0.620 544 HG12 ILE 83 2HG1 ILE 83 5.561 -7.573 0.007 545 HG13 ILE 83 3HG1 ILE 83 3.861 -7.738 -0.414 546 HG21 ILE 83 2HG2 ILE 83 5.123 -4.503 2.049 547 HG22 ILE 83 1HG2 ILE 83 5.660 -4.568 0.369 548 HG23 ILE 83 3HG2 ILE 83 6.292 -5.724 1.543 549 HD11 ILE 83 3HD1 ILE 83 4.031 -5.752 -1.834 550 HD12 ILE 83 2HD1 ILE 83 5.153 -7.021 -2.327 551 HD13 ILE 83 1HD1 ILE 83 5.745 -5.621 -1.431 552 H SER 84 H SER 84 1.522 -6.098 2.381 553 HA SER 84 HA SER 84 0.332 -8.526 1.236 554 HB2 SER 84 HB2 SER 84 0.182 -8.518 3.747 555 HB3 SER 84 HB3 SER 84 -0.765 -7.036 3.636 556 HG SER 84 HG SER 84 -1.503 -9.637 3.186 557 H GLU 85 H GLU 85 -0.597 -7.903 -0.574 558 HA GLU 85 HA GLU 85 -2.350 -5.553 -0.523 559 HB2 GLU 85 HB2 GLU 85 -1.722 -5.009 -2.829 560 HB3 GLU 85 HB3 GLU 85 -0.335 -4.933 -1.757 561 HG2 GLU 85 HG2 GLU 85 0.333 -7.186 -2.545 562 HG3 GLU 85 HG3 GLU 85 -0.991 -7.125 -3.705 563 H MET 86 H MET 86 -4.358 -5.918 -1.298 564 HA MET 86 HA MET 86 -4.986 -8.665 -2.023 565 HB2 MET 86 HB2 MET 86 -6.241 -7.379 -0.232 566 HB3 MET 86 HB3 MET 86 -6.912 -6.390 -1.522 567 HG2 MET 86 HG2 MET 86 -8.584 -7.900 -1.326 568 HG3 MET 86 HG3 MET 86 -7.576 -8.758 -2.487 569 HE1 MET 86 HE1 MET 86 -7.166 -8.236 1.421 570 HE2 MET 86 HE2 MET 86 -8.879 -8.576 1.178 571 HE3 MET 86 HE3 MET 86 -7.857 -9.751 2.006 572 H ASN 87 H ASN 87 -5.640 -9.294 -3.999 573 HA ASN 87 HA ASN 87 -6.484 -9.312 -6.099 574 HB2 ASN 87 HB2 ASN 87 -8.323 -7.947 -5.270 575 HB3 ASN 87 HB3 ASN 87 -7.372 -6.485 -5.490 576 HD21 ASN 87 1HD2 ASN 87 -7.102 -5.658 -7.561 577 HD22 ASN 87 2HD2 ASN 87 -8.022 -6.206 -8.918 578 H TYR 88 H TYR 88 -5.186 -6.004 -5.661 579 HA TYR 88 HA TYR 88 -3.819 -4.736 -6.944 580 HB2 TYR 88 HB2 TYR 88 -2.097 -6.392 -6.570 581 HB3 TYR 88 HB3 TYR 88 -2.747 -7.422 -7.839 582 HD1 TYR 88 HD2 TYR 88 -1.878 -3.786 -7.680 583 HD2 TYR 88 HD1 TYR 88 -1.281 -7.521 -9.624 584 HE1 TYR 88 HE2 TYR 88 -0.422 -2.692 -9.327 585 HE2 TYR 88 HE1 TYR 88 0.175 -6.432 -11.279 586 HH TYR 88 HH TYR 88 0.718 -4.346 -12.171 587 H SER 89 H SER 89 -4.051 -7.349 -9.293 588 HA SER 89 HA SER 89 -6.045 -6.013 -10.870 589 HB2 SER 89 HB2 SER 89 -3.206 -6.189 -11.922 590 HB3 SER 89 HB3 SER 89 -4.614 -5.708 -12.866 591 HG SER 89 HG SER 89 -4.497 -4.239 -10.626 592 H GLY 90 H GLY 90 -7.100 -7.995 -10.625 593 HA2 GLY 90 HA1 GLY 90 -7.116 -9.770 -12.631 594 HA3 GLY 90 HA2 GLY 90 -5.796 -10.389 -11.652 595 H GLY 91 H GLY 91 -6.219 -11.431 -9.742 596 HA2 GLY 91 HA1 GLY 91 -8.833 -12.607 -9.581 597 HA3 GLY 91 HA2 GLY 91 -7.459 -12.955 -8.540 598 HA PRO 92 HA PRO 92 -10.429 -9.379 -6.922 599 HB2 PRO 92 HB2 PRO 92 -12.687 -11.283 -6.694 600 HB3 PRO 92 HB3 PRO 92 -12.683 -9.585 -7.190 601 HG2 PRO 92 HG2 PRO 92 -13.031 -11.513 -8.992 602 HG3 PRO 92 HG3 PRO 92 -12.045 -10.081 -9.364 603 HD2 PRO 92 HD2 PRO 92 -11.155 -12.840 -8.588 604 HD3 PRO 92 HD3 PRO 92 -10.518 -11.766 -9.854 605 H PHE 93 H PHE 93 -9.742 -9.186 -4.947 606 HA PHE 93 HA PHE 93 -9.219 -9.539 -2.786 607 HB2 PHE 93 HB2 PHE 93 -11.270 -11.747 -2.952 608 HB3 PHE 93 HB3 PHE 93 -10.485 -11.202 -1.471 609 HD1 PHE 93 HD2 PHE 93 -10.867 -8.845 -0.694 610 HD2 PHE 93 HD1 PHE 93 -13.138 -10.615 -3.830 611 HE1 PHE 93 HE2 PHE 93 -12.599 -7.123 -0.406 612 HE2 PHE 93 HE1 PHE 93 -14.874 -8.892 -3.547 613 HZ PHE 93 HZ PHE 93 -14.605 -7.144 -1.832 614 H SER 94 H SER 94 -8.056 -11.290 -5.114 615 HA SER 94 HA SER 94 -6.828 -13.368 -3.552 616 HB2 SER 94 HB2 SER 94 -6.028 -12.196 -6.230 617 HB3 SER 94 HB3 SER 94 -5.262 -13.595 -5.469 618 HG SER 94 HG SER 94 -7.080 -14.773 -5.778 619 H VAL 95 H VAL 95 -6.196 -12.120 -1.743 620 HA VAL 95 HA VAL 95 -4.429 -9.989 -1.802 621 HB VAL 95 HB VAL 95 -5.388 -10.456 0.292 622 HG11 VAL 95 2HG1 VAL 95 -4.253 -13.236 0.078 623 HG12 VAL 95 1HG1 VAL 95 -5.953 -12.765 -0.020 624 HG13 VAL 95 3HG1 VAL 95 -5.071 -12.583 1.498 625 HG21 VAL 95 3HG2 VAL 95 -3.128 -9.651 0.532 626 HG22 VAL 95 2HG2 VAL 95 -2.491 -11.293 0.423 627 HG23 VAL 95 1HG2 VAL 95 -3.468 -10.813 1.812 628 H SER 96 H SER 96 -2.574 -9.915 -2.848 629 HA SER 96 HA SER 96 -1.292 -12.369 -3.657 630 HB2 SER 96 HB2 SER 96 -0.561 -9.509 -4.334 631 HB3 SER 96 HB3 SER 96 -0.019 -10.965 -5.172 632 HG SER 96 HG SER 96 -2.772 -10.473 -4.896 633 H SER 97 H SER 97 -0.124 -13.279 -2.126 634 HA SER 97 HA SER 97 1.405 -11.866 -0.193 635 HB2 SER 97 HB2 SER 97 1.830 -14.726 -1.080 636 HB3 SER 97 HB3 SER 97 2.214 -14.016 0.489 637 HG SER 97 HG SER 97 -0.309 -14.643 -0.617 638 H ARG 98 H ARG 98 3.160 -10.701 -0.628 639 HA ARG 98 HA ARG 98 5.067 -11.736 -2.620 640 HB2 ARG 98 HB2 ARG 98 4.242 -8.861 -2.174 641 HB3 ARG 98 HB3 ARG 98 5.605 -9.353 -3.166 642 HG2 ARG 98 HG2 ARG 98 4.105 -10.536 -4.672 643 HG3 ARG 98 HG3 ARG 98 2.727 -10.099 -3.661 644 HD2 ARG 98 HD2 ARG 98 2.908 -8.629 -5.605 645 HD3 ARG 98 HD3 ARG 98 3.135 -7.736 -4.102 646 HE ARG 98 HE ARG 98 5.522 -8.660 -5.524 647 HH11 ARG 98 2HH1 ARG 98 3.378 -6.023 -4.635 648 HH12 ARG 98 1HH1 ARG 98 4.536 -4.793 -5.052 649 HH21 ARG 98 2HH2 ARG 98 7.038 -7.034 -6.085 650 HH22 ARG 98 1HH2 ARG 98 6.626 -5.361 -5.867 651 H THR 99 H THR 99 7.283 -11.031 -2.293 652 HA THR 99 HA THR 99 7.883 -10.201 0.459 653 HB THR 99 HB THR 99 9.407 -12.357 -1.015 654 HG1 THR 99 HG1 THR 99 7.064 -12.489 0.383 655 HG21 THR 99 3HG2 THR 99 10.363 -12.804 1.215 656 HG22 THR 99 1HG2 THR 99 9.454 -11.441 1.867 657 HG23 THR 99 2HG2 THR 99 10.715 -11.166 0.664 658 H ILE 100 H ILE 100 9.089 -8.418 0.413 659 HA ILE 100 HA ILE 100 10.436 -7.702 -2.088 660 HB ILE 100 HB ILE 100 9.885 -6.005 0.353 661 HG12 ILE 100 2HG1 ILE 100 7.802 -6.579 -0.745 662 HG13 ILE 100 3HG1 ILE 100 8.198 -4.891 -1.088 663 HG21 ILE 100 2HG2 ILE 100 11.833 -5.239 -0.890 664 HG22 ILE 100 1HG2 ILE 100 10.492 -4.109 -1.062 665 HG23 ILE 100 3HG2 ILE 100 10.888 -5.214 -2.379 666 HD11 ILE 100 3HD1 ILE 100 9.011 -5.536 -3.295 667 HD12 ILE 100 2HD1 ILE 100 7.336 -6.036 -3.058 668 HD13 ILE 100 1HD1 ILE 100 8.637 -7.224 -2.949 669 H SER 101 H SER 101 12.549 -8.125 -2.265 670 HA SER 101 HA SER 101 14.260 -8.483 0.005 671 HB2 SER 101 HB2 SER 101 14.693 -9.618 -2.144 672 HB3 SER 101 HB3 SER 101 14.954 -8.055 -2.916 673 HG SER 101 HG SER 101 16.585 -9.488 -1.166 674 H ALA 102 H ALA 102 15.948 -7.071 0.697 675 HA ALA 102 HA ALA 102 15.296 -4.409 1.004 676 HB1 ALA 102 HB1 ALA 102 18.084 -5.557 1.043 677 HB2 ALA 102 HB2 ALA 102 17.547 -4.065 1.814 678 HB3 ALA 102 HB3 ALA 102 16.938 -5.620 2.382 679 H SER 103 H SER 103 17.177 -5.920 -1.554 680 HA SER 103 HA SER 103 18.307 -3.664 -2.728 681 HB2 SER 103 HB2 SER 103 17.304 -6.173 -4.099 682 HB3 SER 103 HB3 SER 103 18.469 -5.028 -4.764 683 HG SER 103 HG SER 103 19.815 -6.411 -3.869 684 H GLU 104 H GLU 104 15.104 -5.119 -3.244 685 HA GLU 104 HA GLU 104 14.376 -3.064 -5.144 686 HB2 GLU 104 HB2 GLU 104 12.946 -5.432 -3.978 687 HB3 GLU 104 HB3 GLU 104 12.057 -4.197 -4.853 688 HG2 GLU 104 HG2 GLU 104 12.546 -5.965 -6.361 689 HG3 GLU 104 HG3 GLU 104 13.540 -4.579 -6.803 690 H ALA 105 H ALA 105 13.891 -3.797 -1.760 691 HA ALA 105 HA ALA 105 11.846 -1.984 -1.163 692 HB1 ALA 105 HB1 ALA 105 14.152 -2.829 0.591 693 HB2 ALA 105 HB2 ALA 105 12.660 -2.062 1.142 694 HB3 ALA 105 HB3 ALA 105 12.612 -3.671 0.421 695 H GLY 106 H GLY 106 15.184 -1.491 -1.878 696 HA2 GLY 106 HA1 GLY 106 15.569 1.071 -0.811 697 HA3 GLY 106 HA2 GLY 106 16.418 0.406 -2.194 698 H ASN 107 H ASN 107 13.859 0.096 -3.746 699 HA ASN 107 HA ASN 107 13.752 2.926 -4.550 700 HB2 ASN 107 HB2 ASN 107 13.125 2.228 -6.749 701 HB3 ASN 107 HB3 ASN 107 14.482 1.227 -6.253 702 HD21 ASN 107 1HD2 ASN 107 11.001 1.288 -6.712 703 HD22 ASN 107 2HD2 ASN 107 10.798 -0.423 -6.864 704 H TYR 108 H TYR 108 11.929 0.768 -2.828 705 HA TYR 108 HA TYR 108 9.353 1.542 -3.898 706 HB2 TYR 108 HB2 TYR 108 10.254 -0.321 -1.747 707 HB3 TYR 108 HB3 TYR 108 8.582 0.210 -1.789 708 HD1 TYR 108 HD1 TYR 108 7.515 0.026 -4.264 709 HD2 TYR 108 HD2 TYR 108 10.706 -2.352 -2.767 710 HE1 TYR 108 HE1 TYR 108 6.938 -1.743 -5.866 711 HE2 TYR 108 HE2 TYR 108 10.144 -4.125 -4.378 712 HH TYR 108 HH TYR 108 8.132 -3.670 -7.006 713 H ASN 109 H ASN 109 8.337 3.294 -3.346 714 HA ASN 109 HA ASN 109 9.179 4.925 -1.119 715 HB2 ASN 109 HB2 ASN 109 6.917 5.276 -3.110 716 HB3 ASN 109 HB3 ASN 109 7.296 6.448 -1.852 717 HD21 ASN 109 1HD2 ASN 109 7.697 8.044 -3.339 718 HD22 ASN 109 2HD2 ASN 109 9.117 8.076 -4.324 719 H TYR 110 H TYR 110 7.520 5.799 0.411 720 HA TYR 110 HA TYR 110 5.165 4.197 0.840 721 HB2 TYR 110 HB2 TYR 110 5.663 3.449 3.049 722 HB3 TYR 110 HB3 TYR 110 7.011 2.960 2.035 723 HD1 TYR 110 HD2 TYR 110 8.446 5.653 1.967 724 HD2 TYR 110 HD1 TYR 110 6.690 3.438 5.137 725 HE1 TYR 110 HE2 TYR 110 9.973 6.733 3.558 726 HE2 TYR 110 HE1 TYR 110 8.214 4.514 6.735 727 HH TYR 110 HH TYR 110 10.459 5.618 6.681 728 H ILE 111 H ILE 111 3.670 5.258 2.355 729 HA ILE 111 HA ILE 111 4.426 8.071 2.687 730 HB ILE 111 HB ILE 111 2.199 8.778 2.110 731 HG12 ILE 111 2HG1 ILE 111 1.557 5.877 1.542 732 HG13 ILE 111 3HG1 ILE 111 1.019 6.740 2.976 733 HG21 ILE 111 2HG2 ILE 111 3.814 8.498 0.295 734 HG22 ILE 111 1HG2 ILE 111 2.180 8.148 -0.268 735 HG23 ILE 111 3HG2 ILE 111 3.296 6.826 0.076 736 HD11 ILE 111 3HD1 ILE 111 -0.222 8.300 1.543 737 HD12 ILE 111 2HD1 ILE 111 -0.746 6.630 1.324 738 HD13 ILE 111 1HD1 ILE 111 0.300 7.391 0.123 739 H HIS 112 H HIS 112 4.470 8.663 4.711 740 HA HIS 112 HA HIS 112 2.429 7.616 6.526 741 HB2 HIS 112 HB2 HIS 112 4.015 7.184 8.287 742 HB3 HIS 112 HB3 HIS 112 4.546 6.307 6.859 743 HD1 HIS 112 HD1 HIS 112 5.441 9.248 9.033 744 HD2 HIS 112 HD2 HIS 112 7.056 7.074 5.843 745 HE1 HIS 112 HE1 HIS 112 7.845 9.959 8.871 746 HE2 HIS 112 HE2 HIS 112 8.845 8.478 7.098 747 H ILE 113 H ILE 113 1.888 9.058 8.221 748 HA ILE 113 HA ILE 113 2.150 11.776 7.668 749 HB ILE 113 HB ILE 113 1.317 12.096 10.004 750 HG12 ILE 113 2HG1 ILE 113 2.317 9.901 10.852 751 HG13 ILE 113 3HG1 ILE 113 0.706 10.320 11.412 752 HG21 ILE 113 2HG2 ILE 113 -0.918 11.238 9.538 753 HG22 ILE 113 1HG2 ILE 113 -0.248 10.237 8.251 754 HG23 ILE 113 3HG2 ILE 113 -0.185 11.995 8.123 755 HD11 ILE 113 3HD1 ILE 113 -0.262 8.768 9.799 756 HD12 ILE 113 2HD1 ILE 113 0.882 7.959 10.870 757 HD13 ILE 113 1HD1 ILE 113 1.353 8.362 9.219 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 -11.183 10.075 20.548 2 H2 GLY 1 H2 GLY 1 -10.453 11.441 21.234 3 H3 GLY 1 H3 GLY 1 -10.394 11.203 19.556 4 HA2 GLY 1 HA2 GLY 1 -12.877 11.654 21.119 5 HA3 GLY 1 HA1 GLY 1 -12.028 12.900 20.215 6 H SER 2 H SER 2 -12.642 9.510 19.359 7 HA SER 2 HA SER 2 -14.567 10.315 17.339 8 HB2 SER 2 HB2 SER 2 -12.337 10.568 16.230 9 HB3 SER 2 HB3 SER 2 -12.018 8.865 16.557 10 HG SER 2 HG SER 2 -13.247 9.880 14.469 11 H SER 3 H SER 3 -15.549 8.370 16.290 12 HA SER 3 HA SER 3 -15.348 6.027 18.058 13 HB2 SER 3 HB2 SER 3 -17.441 7.340 18.433 14 HB3 SER 3 HB3 SER 3 -17.881 7.059 16.752 15 HG SER 3 HG SER 3 -17.938 5.336 18.929 16 H ILE 4 H ILE 4 -13.849 5.127 16.569 17 HA ILE 4 HA ILE 4 -14.945 4.383 13.953 18 HB ILE 4 HB ILE 4 -12.165 3.940 15.064 19 HG12 ILE 4 2HG1 ILE 4 -13.166 5.960 13.041 20 HG13 ILE 4 3HG1 ILE 4 -12.705 6.326 14.700 21 HG21 ILE 4 2HG2 ILE 4 -12.756 2.264 13.410 22 HG22 ILE 4 1HG2 ILE 4 -11.569 3.385 12.743 23 HG23 ILE 4 3HG2 ILE 4 -13.266 3.525 12.285 24 HD11 ILE 4 3HD1 ILE 4 -10.882 5.270 12.552 25 HD12 ILE 4 2HD1 ILE 4 -10.417 5.634 14.213 26 HD13 ILE 4 1HD1 ILE 4 -10.947 6.930 13.142 27 H SER 5 H SER 5 -16.113 2.595 13.915 28 HA SER 5 HA SER 5 -15.174 0.246 15.388 29 HB2 SER 5 HB2 SER 5 -17.609 -0.191 16.026 30 HB3 SER 5 HB3 SER 5 -16.802 1.108 16.903 31 HG SER 5 HG SER 5 -18.156 2.490 16.072 32 H HIS 6 H HIS 6 -17.891 1.318 13.375 33 HA HIS 6 HA HIS 6 -17.081 -0.683 11.379 34 HB2 HIS 6 HB2 HIS 6 -19.196 -1.345 12.520 35 HB3 HIS 6 HB3 HIS 6 -19.924 0.170 11.999 36 HD1 HIS 6 HD1 HIS 6 -21.168 0.071 9.858 37 HD2 HIS 6 HD2 HIS 6 -18.395 -3.016 10.204 38 HE1 HIS 6 HE1 HIS 6 -21.511 -1.388 7.831 39 HE2 HIS 6 HE2 HIS 6 -19.780 -3.216 8.024 40 H SER 7 H SER 7 -15.845 0.895 10.344 41 HA SER 7 HA SER 7 -17.454 2.790 8.786 42 HB2 SER 7 HB2 SER 7 -14.770 3.409 10.039 43 HB3 SER 7 HB3 SER 7 -15.708 4.496 9.013 44 HG SER 7 HG SER 7 -17.312 3.679 10.939 45 H GLY 8 H GLY 8 -17.387 1.608 6.924 46 HA2 GLY 8 HA1 GLY 8 -15.076 0.163 6.090 47 HA3 GLY 8 HA2 GLY 8 -16.556 0.385 5.173 48 H ASN 9 H ASN 9 -14.294 0.348 3.831 49 HA ASN 9 HA ASN 9 -13.143 2.963 3.470 50 HB2 ASN 9 HB2 ASN 9 -11.905 0.789 3.166 51 HB3 ASN 9 HB3 ASN 9 -12.868 0.504 1.723 52 HD21 ASN 9 1HD2 ASN 9 -10.055 0.631 1.835 53 HD22 ASN 9 2HD2 ASN 9 -9.551 1.966 0.857 54 H LEU 10 H LEU 10 -13.440 4.328 1.740 55 HA LEU 10 HA LEU 10 -15.993 4.390 0.492 56 HB2 LEU 10 HB2 LEU 10 -13.516 5.916 -0.294 57 HB3 LEU 10 HB3 LEU 10 -15.176 6.362 -0.629 58 HG LEU 10 HG LEU 10 -13.866 6.331 2.092 59 HD11 LEU 10 2HD1 LEU 10 -14.134 8.753 1.993 60 HD12 LEU 10 1HD1 LEU 10 -14.788 8.619 0.361 61 HD13 LEU 10 3HD1 LEU 10 -13.113 8.167 0.678 62 HD21 LEU 10 3HD2 LEU 10 -16.222 5.724 2.238 63 HD22 LEU 10 2HD2 LEU 10 -16.657 7.140 1.282 64 HD23 LEU 10 1HD2 LEU 10 -15.950 7.342 2.887 65 H TYR 11 H TYR 11 -12.980 2.972 -0.299 66 HA TYR 11 HA TYR 11 -13.095 3.090 -3.121 67 HB2 TYR 11 HB2 TYR 11 -11.273 2.216 -1.178 68 HB3 TYR 11 HB3 TYR 11 -11.623 0.802 -2.166 69 HD1 TYR 11 HD2 TYR 11 -11.076 0.797 -4.568 70 HD2 TYR 11 HD1 TYR 11 -10.069 4.085 -2.065 71 HE1 TYR 11 HE2 TYR 11 -9.510 1.608 -6.280 72 HE2 TYR 11 HE1 TYR 11 -8.494 4.904 -3.764 73 HH TYR 11 HH TYR 11 -8.433 3.799 -6.932 74 H THR 12 H THR 12 -12.693 0.702 -4.156 75 HA THR 12 HA THR 12 -15.320 -0.192 -4.607 76 HB THR 12 HB THR 12 -12.787 -1.619 -5.412 77 HG1 THR 12 HG1 THR 12 -12.909 -0.199 -7.285 78 HG21 THR 12 3HG2 THR 12 -15.458 -1.366 -6.803 79 HG22 THR 12 1HG2 THR 12 -14.912 -2.778 -5.899 80 HG23 THR 12 2HG2 THR 12 -14.062 -2.289 -7.366 81 H ALA 13 H ALA 13 -12.839 -2.609 -4.116 82 HA ALA 13 HA ALA 13 -13.652 -3.674 -1.666 83 HB1 ALA 13 HB1 ALA 13 -15.764 -4.136 -2.850 84 HB2 ALA 13 HB2 ALA 13 -14.866 -5.067 -4.051 85 HB3 ALA 13 HB3 ALA 13 -14.932 -5.620 -2.378 86 H GLY 14 H GLY 14 -11.925 -4.789 -1.042 87 HA2 GLY 14 HA1 GLY 14 -10.232 -6.341 -1.055 88 HA3 GLY 14 HA2 GLY 14 -10.832 -6.903 -2.606 89 H GLN 15 H GLN 15 -10.345 -3.705 -3.056 90 HA GLN 15 HA GLN 15 -8.220 -4.159 -4.860 91 HB2 GLN 15 HB2 GLN 15 -9.344 -1.582 -3.753 92 HB3 GLN 15 HB3 GLN 15 -8.207 -1.673 -5.091 93 HG2 GLN 15 HG2 GLN 15 -10.790 -3.162 -5.201 94 HG3 GLN 15 HG3 GLN 15 -10.729 -1.440 -5.566 95 HE21 GLN 15 1HE2 GLN 15 -9.541 -4.606 -6.537 96 HE22 GLN 15 2HE2 GLN 15 -9.213 -4.161 -8.170 97 H CYS 16 H CYS 16 -6.113 -3.103 -4.872 98 HA CYS 16 HA CYS 16 -4.592 -3.584 -2.577 99 HB2 CYS 16 HB2 CYS 16 -2.827 -2.226 -3.749 100 HB3 CYS 16 HB3 CYS 16 -3.502 -3.541 -4.706 101 HG CYS 16 HG CYS 16 -3.343 -1.712 -6.616 102 H THR 17 H THR 17 -5.803 -0.527 -3.919 103 HA THR 17 HA THR 17 -4.801 1.004 -1.690 104 HB THR 17 HB THR 17 -6.158 2.863 -2.828 105 HG1 THR 17 HG1 THR 17 -6.871 2.359 -4.929 106 HG21 THR 17 3HG2 THR 17 -3.761 2.646 -3.140 107 HG22 THR 17 1HG2 THR 17 -4.531 3.071 -4.668 108 HG23 THR 17 2HG2 THR 17 -4.008 1.412 -4.375 109 H TRP 18 H TRP 18 -7.340 -1.033 -2.017 110 HA TRP 18 HA TRP 18 -9.171 0.418 -0.266 111 HB2 TRP 18 HB2 TRP 18 -10.120 -0.837 -2.152 112 HB3 TRP 18 HB3 TRP 18 -9.360 -2.310 -1.570 113 HD1 TRP 18 HD1 TRP 18 -12.377 -0.056 -0.994 114 HE1 TRP 18 HE1 TRP 18 -14.025 -1.276 0.569 115 HE3 TRP 18 HE3 TRP 18 -9.436 -4.004 0.415 116 HZ2 TRP 18 HZ2 TRP 18 -14.067 -3.564 2.196 117 HZ3 TRP 18 HZ3 TRP 18 -10.362 -5.652 1.984 118 HH2 TRP 18 HH2 TRP 18 -12.627 -5.440 2.856 119 H TYR 19 H TYR 19 -7.341 -2.622 -0.377 120 HA TYR 19 HA TYR 19 -7.861 -3.407 2.284 121 HB2 TYR 19 HB2 TYR 19 -7.108 -4.964 0.549 122 HB3 TYR 19 HB3 TYR 19 -5.563 -4.130 0.454 123 HD1 TYR 19 HD1 TYR 19 -7.688 -5.646 3.152 124 HD2 TYR 19 HD2 TYR 19 -3.813 -5.226 1.443 125 HE1 TYR 19 HE1 TYR 19 -6.777 -7.177 4.848 126 HE2 TYR 19 HE2 TYR 19 -2.895 -6.751 3.139 127 HH TYR 19 HH TYR 19 -3.359 -7.668 5.237 128 H VAL 20 H VAL 20 -5.154 -1.685 0.796 129 HA VAL 20 HA VAL 20 -3.515 -1.311 2.989 130 HB VAL 20 HB VAL 20 -4.093 0.500 0.644 131 HG11 VAL 20 2HG1 VAL 20 -2.011 0.873 2.790 132 HG12 VAL 20 1HG1 VAL 20 -3.386 1.929 2.463 133 HG13 VAL 20 3HG1 VAL 20 -2.087 1.777 1.278 134 HG21 VAL 20 3HG2 VAL 20 -1.703 -1.202 1.349 135 HG22 VAL 20 2HG2 VAL 20 -1.906 -0.250 -0.120 136 HG23 VAL 20 1HG2 VAL 20 -2.959 -1.631 0.190 137 H TYR 21 H TYR 21 -6.226 0.746 1.953 138 HA TYR 21 HA TYR 21 -5.923 2.632 4.043 139 HB2 TYR 21 HB2 TYR 21 -7.084 3.031 1.851 140 HB3 TYR 21 HB3 TYR 21 -8.420 2.052 2.445 141 HD1 TYR 21 HD1 TYR 21 -6.421 5.061 3.324 142 HD2 TYR 21 HD2 TYR 21 -10.165 3.066 3.578 143 HE1 TYR 21 HE1 TYR 21 -7.397 7.055 4.359 144 HE2 TYR 21 HE2 TYR 21 -11.165 5.056 4.607 145 HH TYR 21 HH TYR 21 -10.480 7.044 5.855 146 H ASP 22 H ASP 22 -7.714 -0.348 3.712 147 HA ASP 22 HA ASP 22 -9.357 -0.079 6.008 148 HB2 ASP 22 HB2 ASP 22 -9.830 -1.708 4.236 149 HB3 ASP 22 HB3 ASP 22 -8.338 -2.562 4.606 150 H LYS 23 H LYS 23 -6.207 -1.576 5.442 151 HA LYS 23 HA LYS 23 -5.890 -2.641 8.044 152 HB2 LYS 23 HB2 LYS 23 -3.901 -2.027 5.863 153 HB3 LYS 23 HB3 LYS 23 -3.471 -2.844 7.360 154 HG2 LYS 23 HG2 LYS 23 -5.621 -3.866 5.533 155 HG3 LYS 23 HG3 LYS 23 -3.923 -4.304 5.342 156 HD2 LYS 23 HD2 LYS 23 -5.418 -4.673 7.930 157 HD3 LYS 23 HD3 LYS 23 -5.359 -5.914 6.676 158 HE2 LYS 23 HE2 LYS 23 -2.913 -5.919 6.806 159 HE3 LYS 23 HE3 LYS 23 -2.979 -4.687 8.063 160 HZ1 LYS 23 HZ1 LYS 23 -2.685 -7.008 8.868 161 HZ2 LYS 23 HZ2 LYS 23 -4.254 -7.353 8.326 162 HZ3 LYS 23 HZ3 LYS 23 -4.011 -6.194 9.541 163 H VAL 24 H VAL 24 -5.052 0.484 6.648 164 HA VAL 24 HA VAL 24 -3.556 1.263 8.999 165 HB VAL 24 HB VAL 24 -3.383 3.483 7.978 166 HG11 VAL 24 2HG1 VAL 24 -2.801 1.230 6.063 167 HG12 VAL 24 1HG1 VAL 24 -1.759 1.789 7.371 168 HG13 VAL 24 3HG1 VAL 24 -2.093 2.844 5.997 169 HG21 VAL 24 3HG2 VAL 24 -5.117 2.340 5.791 170 HG22 VAL 24 2HG2 VAL 24 -4.279 3.892 5.730 171 HG23 VAL 24 1HG2 VAL 24 -5.558 3.626 6.914 172 H GLY 25 H GLY 25 -6.774 0.938 8.324 173 HA2 GLY 25 HA1 GLY 25 -8.587 1.355 9.675 174 HA3 GLY 25 HA2 GLY 25 -7.496 2.107 10.825 175 H GLY 26 H GLY 26 -7.391 3.343 7.627 176 HA2 GLY 26 HA1 GLY 26 -8.319 5.249 6.679 177 HA3 GLY 26 HA2 GLY 26 -9.400 5.367 8.060 178 H GLU 27 H GLU 27 -6.309 5.010 9.213 179 HA GLU 27 HA GLU 27 -6.086 7.623 10.219 180 HB2 GLU 27 HB2 GLU 27 -4.954 5.611 11.171 181 HB3 GLU 27 HB3 GLU 27 -3.864 5.612 9.794 182 HG2 GLU 27 HG2 GLU 27 -2.735 6.609 11.635 183 HG3 GLU 27 HG3 GLU 27 -3.105 7.880 10.471 184 H ILE 28 H ILE 28 -4.803 6.066 7.365 185 HA ILE 28 HA ILE 28 -4.055 8.682 6.301 186 HB ILE 28 HB ILE 28 -1.883 8.201 6.474 187 HG12 ILE 28 2HG1 ILE 28 -2.583 7.343 4.055 188 HG13 ILE 28 3HG1 ILE 28 -0.921 7.224 4.631 189 HG21 ILE 28 2HG2 ILE 28 -2.314 6.570 8.206 190 HG22 ILE 28 1HG2 ILE 28 -0.974 6.046 7.186 191 HG23 ILE 28 3HG2 ILE 28 -2.567 5.315 6.993 192 HD11 ILE 28 3HD1 ILE 28 -1.584 5.179 3.533 193 HD12 ILE 28 2HD1 ILE 28 -2.983 5.020 4.598 194 HD13 ILE 28 1HD1 ILE 28 -1.350 4.874 5.254 195 H GLY 29 H GLY 29 -4.710 8.991 4.216 196 HA2 GLY 29 HA1 GLY 29 -4.389 7.832 2.001 197 HA3 GLY 29 HA2 GLY 29 -5.374 6.558 2.692 198 H SER 30 H SER 30 -6.801 6.705 1.031 199 HA SER 30 HA SER 30 -8.764 7.169 0.071 200 HB2 SER 30 HB2 SER 30 -10.438 8.442 1.152 201 HB3 SER 30 HB3 SER 30 -9.491 7.709 2.442 202 HG SER 30 HG SER 30 -8.367 9.732 2.619 203 H THR 31 H THR 31 -6.925 10.098 0.852 204 HA THR 31 HA THR 31 -7.930 11.369 -1.571 205 HB THR 31 HB THR 31 -6.561 13.335 -0.678 206 HG1 THR 31 HG1 THR 31 -6.055 13.163 1.571 207 HG21 THR 31 3HG2 THR 31 -8.983 13.217 -0.441 208 HG22 THR 31 1HG2 THR 31 -8.257 13.899 1.015 209 HG23 THR 31 2HG2 THR 31 -8.809 12.223 1.005 210 H TRP 32 H TRP 32 -5.724 9.142 -1.227 211 HA TRP 32 HA TRP 32 -3.432 10.461 -2.414 212 HB2 TRP 32 HB2 TRP 32 -2.355 8.251 -2.306 213 HB3 TRP 32 HB3 TRP 32 -2.999 8.757 -0.748 214 HD1 TRP 32 HD1 TRP 32 -5.079 7.121 -3.529 215 HE1 TRP 32 HE1 TRP 32 -6.013 4.926 -2.657 216 HE3 TRP 32 HE3 TRP 32 -2.664 6.995 0.955 217 HZ2 TRP 32 HZ2 TRP 32 -5.769 3.299 -0.348 218 HZ3 TRP 32 HZ3 TRP 32 -3.071 5.068 2.453 219 HH2 TRP 32 HH2 TRP 32 -4.589 3.263 1.812 220 H GLY 33 H GLY 33 -6.274 9.239 -3.634 221 HA2 GLY 33 HA1 GLY 33 -6.866 9.044 -5.891 222 HA3 GLY 33 HA2 GLY 33 -5.159 9.170 -6.295 223 H ASN 34 H ASN 34 -4.578 7.463 -7.416 224 HA ASN 34 HA ASN 34 -5.324 4.830 -6.343 225 HB2 ASN 34 HB2 ASN 34 -4.305 5.408 -9.138 226 HB3 ASN 34 HB3 ASN 34 -4.874 3.865 -8.518 227 HD21 ASN 34 1HD2 ASN 34 -5.741 6.869 -9.901 228 HD22 ASN 34 2HD2 ASN 34 -7.445 6.575 -10.004 229 H ALA 35 H ALA 35 -3.430 3.221 -7.210 230 HA ALA 35 HA ALA 35 -1.409 3.652 -5.356 231 HB1 ALA 35 HB1 ALA 35 -1.358 1.809 -7.735 232 HB2 ALA 35 HB2 ALA 35 -0.337 1.690 -6.300 233 HB3 ALA 35 HB3 ALA 35 -2.079 1.453 -6.166 234 H ASN 36 H ASN 36 -1.297 4.097 -8.887 235 HA ASN 36 HA ASN 36 1.470 4.736 -8.969 236 HB2 ASN 36 HB2 ASN 36 0.164 3.882 -10.896 237 HB3 ASN 36 HB3 ASN 36 -0.683 5.424 -10.980 238 HD21 ASN 36 1HD2 ASN 36 0.036 5.732 -13.084 239 HD22 ASN 36 2HD2 ASN 36 1.672 6.188 -13.437 240 H ASN 37 H ASN 37 -1.265 6.552 -8.082 241 HA ASN 37 HA ASN 37 0.077 9.113 -8.597 242 HB2 ASN 37 HB2 ASN 37 -2.234 8.807 -9.453 243 HB3 ASN 37 HB3 ASN 37 -2.795 8.538 -7.809 244 HD21 ASN 37 1HD2 ASN 37 -3.221 10.247 -6.528 245 HD22 ASN 37 2HD2 ASN 37 -3.087 11.894 -7.039 246 H TRP 38 H TRP 38 0.222 6.926 -6.324 247 HA TRP 38 HA TRP 38 -0.719 7.949 -3.935 248 HB2 TRP 38 HB2 TRP 38 1.145 5.883 -4.738 249 HB3 TRP 38 HB3 TRP 38 1.645 6.677 -3.237 250 HD1 TRP 38 HD1 TRP 38 -1.947 5.749 -4.397 251 HE1 TRP 38 HE1 TRP 38 -2.991 4.351 -2.546 252 HE3 TRP 38 HE3 TRP 38 2.088 5.436 -1.299 253 HZ2 TRP 38 HZ2 TRP 38 -2.191 3.250 -0.013 254 HZ3 TRP 38 HZ3 TRP 38 1.880 4.203 0.806 255 HH2 TRP 38 HH2 TRP 38 -0.209 3.128 1.429 256 H ALA 39 H ALA 39 2.691 8.102 -4.991 257 HA ALA 39 HA ALA 39 3.524 9.618 -2.791 258 HB1 ALA 39 HB1 ALA 39 4.821 9.447 -5.511 259 HB2 ALA 39 HB2 ALA 39 5.595 9.988 -4.022 260 HB3 ALA 39 HB3 ALA 39 5.067 8.312 -4.183 261 H ALA 40 H ALA 40 2.035 10.562 -5.762 262 HA ALA 40 HA ALA 40 2.728 13.336 -5.598 263 HB1 ALA 40 HB1 ALA 40 0.523 12.000 -7.156 264 HB2 ALA 40 HB2 ALA 40 1.132 13.636 -7.402 265 HB3 ALA 40 HB3 ALA 40 2.173 12.248 -7.727 266 H ALA 41 H ALA 41 -0.307 11.524 -5.046 267 HA ALA 41 HA ALA 41 -1.692 13.831 -4.090 268 HB1 ALA 41 HB1 ALA 41 -2.460 10.924 -3.819 269 HB2 ALA 41 HB2 ALA 41 -3.518 12.318 -3.595 270 HB3 ALA 41 HB3 ALA 41 -2.849 11.972 -5.186 271 H ALA 42 H ALA 42 -0.052 11.128 -2.546 272 HA ALA 42 HA ALA 42 -0.850 11.505 0.105 273 HB1 ALA 42 HB1 ALA 42 0.403 9.567 -0.537 274 HB2 ALA 42 HB2 ALA 42 1.777 10.557 -1.033 275 HB3 ALA 42 HB3 ALA 42 1.338 10.451 0.670 276 H GLN 43 H GLN 43 1.671 13.112 -1.806 277 HA GLN 43 HA GLN 43 2.829 14.621 0.273 278 HB2 GLN 43 HB2 GLN 43 2.690 15.006 -2.709 279 HB3 GLN 43 HB3 GLN 43 3.486 16.179 -1.670 280 HG2 GLN 43 HG2 GLN 43 4.216 13.271 -1.622 281 HG3 GLN 43 HG3 GLN 43 4.924 14.398 -2.781 282 HE21 GLN 43 1HE2 GLN 43 4.654 13.567 0.598 283 HE22 GLN 43 2HE2 GLN 43 6.025 14.483 1.132 284 H GLY 44 H GLY 44 0.219 15.381 -2.019 285 HA2 GLY 44 HA1 GLY 44 -0.293 17.979 -0.975 286 HA3 GLY 44 HA2 GLY 44 -1.373 17.043 -1.997 287 H ALA 45 H ALA 45 -1.483 14.776 -0.192 288 HA ALA 45 HA ALA 45 -3.585 15.630 1.525 289 HB1 ALA 45 HB1 ALA 45 -3.671 13.315 2.259 290 HB2 ALA 45 HB2 ALA 45 -3.520 13.395 0.503 291 HB3 ALA 45 HB3 ALA 45 -2.116 12.994 1.493 292 H GLY 46 H GLY 46 -0.195 15.496 1.862 293 HA2 GLY 46 HA1 GLY 46 0.906 16.643 3.615 294 HA3 GLY 46 HA2 GLY 46 -0.494 16.367 4.639 295 H PHE 47 H PHE 47 1.116 13.870 2.740 296 HA PHE 47 HA PHE 47 1.957 12.611 5.264 297 HB2 PHE 47 HB2 PHE 47 1.933 11.343 2.521 298 HB3 PHE 47 HB3 PHE 47 2.134 10.532 4.061 299 HD1 PHE 47 HD1 PHE 47 -0.303 12.455 5.142 300 HD2 PHE 47 HD2 PHE 47 0.270 9.591 2.053 301 HE1 PHE 47 HE1 PHE 47 -2.719 11.961 5.146 302 HE2 PHE 47 HE2 PHE 47 -2.131 9.083 2.048 303 HZ PHE 47 HZ PHE 47 -3.630 10.284 3.585 304 H THR 48 H THR 48 4.101 11.903 5.515 305 HA THR 48 HA THR 48 6.072 13.294 3.872 306 HB THR 48 HB THR 48 6.658 11.468 6.204 307 HG1 THR 48 HG1 THR 48 5.733 12.924 7.425 308 HG21 THR 48 3HG2 THR 48 8.667 12.864 6.403 309 HG22 THR 48 1HG2 THR 48 8.146 13.810 5.009 310 HG23 THR 48 2HG2 THR 48 8.563 12.108 4.812 311 H VAL 49 H VAL 49 6.747 12.263 2.047 312 HA VAL 49 HA VAL 49 6.699 9.338 2.110 313 HB VAL 49 HB VAL 49 6.392 9.227 -0.129 314 HG11 VAL 49 2HG1 VAL 49 5.361 11.988 0.465 315 HG12 VAL 49 1HG1 VAL 49 4.514 10.459 0.706 316 HG13 VAL 49 3HG1 VAL 49 4.898 11.006 -0.926 317 HG21 VAL 49 3HG2 VAL 49 7.882 11.816 -0.467 318 HG22 VAL 49 2HG2 VAL 49 7.107 10.931 -1.784 319 HG23 VAL 49 1HG2 VAL 49 8.429 10.190 -0.883 320 H ASN 50 H ASN 50 8.459 8.247 2.408 321 HA ASN 50 HA ASN 50 11.035 9.346 1.502 322 HB2 ASN 50 HB2 ASN 50 10.788 7.331 3.740 323 HB3 ASN 50 HB3 ASN 50 12.159 8.350 3.339 324 HD21 ASN 50 1HD2 ASN 50 10.636 7.859 5.824 325 HD22 ASN 50 2HD2 ASN 50 10.173 9.424 6.389 326 H HIS 51 H HIS 51 12.119 6.638 2.263 327 HA HIS 51 HA HIS 51 10.430 4.749 0.959 328 HB2 HIS 51 HB2 HIS 51 12.306 4.054 -0.705 329 HB3 HIS 51 HB3 HIS 51 11.264 5.406 -1.113 330 HD1 HIS 51 HD1 HIS 51 12.431 7.430 -1.890 331 HD2 HIS 51 HD2 HIS 51 14.922 4.994 0.379 332 HE1 HIS 51 HE1 HIS 51 14.710 8.481 -2.024 333 HE2 HIS 51 HE2 HIS 51 16.236 6.863 -0.837 334 H THR 52 H THR 52 10.515 3.720 2.876 335 HA THR 52 HA THR 52 12.624 1.800 3.160 336 HB THR 52 HB THR 52 12.133 3.732 5.453 337 HG1 THR 52 HG1 THR 52 13.898 3.780 3.391 338 HG21 THR 52 3HG2 THR 52 13.981 1.348 5.225 339 HG22 THR 52 1HG2 THR 52 12.553 1.469 6.251 340 HG23 THR 52 2HG2 THR 52 13.957 2.491 6.568 341 HA PRO 53 HA PRO 53 8.421 0.117 3.907 342 HB2 PRO 53 HB2 PRO 53 9.401 -2.490 3.903 343 HB3 PRO 53 HB3 PRO 53 8.764 -1.624 2.500 344 HG2 PRO 53 HG2 PRO 53 11.597 -2.000 3.376 345 HG3 PRO 53 HG3 PRO 53 10.909 -2.044 1.739 346 HD2 PRO 53 HD2 PRO 53 12.243 0.099 2.578 347 HD3 PRO 53 HD3 PRO 53 10.764 0.279 1.607 348 H SER 54 H SER 54 7.432 -0.620 5.709 349 HA SER 54 HA SER 54 8.797 -1.752 7.949 350 HB2 SER 54 HB2 SER 54 7.881 1.138 8.079 351 HB3 SER 54 HB3 SER 54 8.291 0.169 9.492 352 HG SER 54 HG SER 54 10.245 0.054 7.619 353 H LYS 55 H LYS 55 7.248 -2.325 9.655 354 HA LYS 55 HA LYS 55 4.764 -3.101 8.552 355 HB2 LYS 55 HB2 LYS 55 4.293 -4.120 10.612 356 HB3 LYS 55 HB3 LYS 55 6.047 -4.179 10.505 357 HG2 LYS 55 HG2 LYS 55 6.083 -2.085 11.892 358 HG3 LYS 55 HG3 LYS 55 4.358 -2.324 12.153 359 HD2 LYS 55 HD2 LYS 55 4.829 -4.540 13.119 360 HD3 LYS 55 HD3 LYS 55 6.558 -4.250 12.905 361 HE2 LYS 55 HE2 LYS 55 4.669 -2.643 14.625 362 HE3 LYS 55 HE3 LYS 55 5.895 -3.774 15.194 363 HZ1 LYS 55 HZ1 LYS 55 6.614 -1.451 15.336 364 HZ2 LYS 55 HZ2 LYS 55 6.451 -1.291 13.656 365 HZ3 LYS 55 HZ3 LYS 55 7.607 -2.353 14.298 366 H GLY 56 H GLY 56 2.754 -2.282 8.739 367 HA2 GLY 56 HA1 GLY 56 1.076 -0.793 9.407 368 HA3 GLY 56 HA2 GLY 56 2.272 0.119 10.316 369 H ALA 57 H ALA 57 3.928 -0.113 7.688 370 HA ALA 57 HA ALA 57 2.813 2.322 6.503 371 HB1 ALA 57 HB1 ALA 57 5.163 2.372 7.250 372 HB2 ALA 57 HB2 ALA 57 5.536 1.082 6.108 373 HB3 ALA 57 HB3 ALA 57 5.000 2.654 5.515 374 H ILE 58 H ILE 58 3.626 2.315 3.965 375 HA ILE 58 HA ILE 58 2.645 -0.193 2.799 376 HB ILE 58 HB ILE 58 1.644 2.511 1.899 377 HG12 ILE 58 2HG1 ILE 58 -0.592 1.421 2.780 378 HG13 ILE 58 3HG1 ILE 58 0.504 0.537 3.836 379 HG21 ILE 58 2HG2 ILE 58 0.017 1.172 0.615 380 HG22 ILE 58 1HG2 ILE 58 0.848 -0.295 1.137 381 HG23 ILE 58 3HG2 ILE 58 1.686 0.882 0.125 382 HD11 ILE 58 3HD1 ILE 58 0.265 3.531 3.646 383 HD12 ILE 58 2HD1 ILE 58 1.356 2.648 4.714 384 HD13 ILE 58 1HD1 ILE 58 -0.389 2.513 4.929 385 H LEU 59 H LEU 59 3.340 -0.615 0.707 386 HA LEU 59 HA LEU 59 5.838 0.698 -0.009 387 HB2 LEU 59 HB2 LEU 59 5.280 -1.853 0.108 388 HB3 LEU 59 HB3 LEU 59 4.583 -1.597 -1.475 389 HG LEU 59 HG LEU 59 6.863 -0.633 -2.114 390 HD11 LEU 59 2HD1 LEU 59 8.743 -1.481 -0.801 391 HD12 LEU 59 1HD1 LEU 59 7.612 -2.098 0.405 392 HD13 LEU 59 3HD1 LEU 59 7.742 -0.361 0.122 393 HD21 LEU 59 3HD2 LEU 59 6.582 -3.558 -1.464 394 HD22 LEU 59 2HD2 LEU 59 7.731 -2.855 -2.604 395 HD23 LEU 59 1HD2 LEU 59 5.999 -2.754 -2.924 396 H GLN 60 H GLN 60 6.261 1.157 -2.347 397 HA GLN 60 HA GLN 60 3.956 1.623 -4.042 398 HB2 GLN 60 HB2 GLN 60 3.895 3.717 -2.969 399 HB3 GLN 60 HB3 GLN 60 5.646 3.828 -2.893 400 HG2 GLN 60 HG2 GLN 60 4.842 5.405 -4.491 401 HG3 GLN 60 HG3 GLN 60 5.706 4.125 -5.340 402 HE21 GLN 60 1HE2 GLN 60 3.689 6.033 -6.290 403 HE22 GLN 60 2HE2 GLN 60 2.402 5.079 -6.939 404 H SER 61 H SER 61 4.408 1.518 -6.153 405 HA SER 61 HA SER 61 7.053 1.946 -7.201 406 HB2 SER 61 HB2 SER 61 7.192 -0.417 -6.416 407 HB3 SER 61 HB3 SER 61 5.810 -0.812 -7.441 408 HG SER 61 HG SER 61 8.056 -1.168 -8.287 409 H SER 62 H SER 62 6.901 2.641 -9.278 410 HA SER 62 HA SER 62 4.244 2.619 -10.498 411 HB2 SER 62 HB2 SER 62 6.702 4.133 -11.412 412 HB3 SER 62 HB3 SER 62 5.026 4.428 -11.878 413 HG SER 62 HG SER 62 5.091 5.810 -10.289 414 H GLU 63 H GLU 63 4.092 0.557 -11.382 415 HA GLU 63 HA GLU 63 6.277 -0.327 -13.100 416 HB2 GLU 63 HB2 GLU 63 3.904 -1.866 -12.065 417 HB3 GLU 63 HB3 GLU 63 5.198 -2.540 -13.039 418 HG2 GLU 63 HG2 GLU 63 6.794 -1.999 -11.248 419 HG3 GLU 63 HG3 GLU 63 5.455 -1.406 -10.266 420 H GLY 64 H GLY 64 3.545 1.363 -13.479 421 HA2 GLY 64 HA1 GLY 64 3.246 1.974 -15.890 422 HA3 GLY 64 HA2 GLY 64 3.122 0.253 -16.181 423 HA PRO 65 HA PRO 65 -1.109 -0.072 -16.121 424 HB2 PRO 65 HB2 PRO 65 -1.799 -1.422 -13.749 425 HB3 PRO 65 HB3 PRO 65 -1.441 -2.146 -15.317 426 HG2 PRO 65 HG2 PRO 65 0.295 -1.834 -12.934 427 HG3 PRO 65 HG3 PRO 65 0.299 -3.097 -14.178 428 HD2 PRO 65 HD2 PRO 65 2.179 -1.166 -14.075 429 HD3 PRO 65 HD3 PRO 65 1.614 -1.852 -15.614 430 H PHE 66 H PHE 66 -0.709 0.240 -12.592 431 HA PHE 66 HA PHE 66 -2.075 2.790 -12.630 432 HB2 PHE 66 HB2 PHE 66 -4.015 2.150 -11.423 433 HB3 PHE 66 HB3 PHE 66 -3.871 0.987 -12.737 434 HD1 PHE 66 HD2 PHE 66 -2.245 -1.087 -11.997 435 HD2 PHE 66 HD1 PHE 66 -4.681 1.286 -9.442 436 HE1 PHE 66 HE2 PHE 66 -2.291 -2.917 -10.355 437 HE2 PHE 66 HE1 PHE 66 -4.730 -0.536 -7.791 438 HZ PHE 66 HZ PHE 66 -3.536 -2.640 -8.247 439 H GLY 67 H GLY 67 0.382 1.199 -11.593 440 HA2 GLY 67 HA1 GLY 67 1.830 2.008 -9.900 441 HA3 GLY 67 HA2 GLY 67 0.425 2.566 -9.003 442 H HIS 68 H HIS 68 2.168 1.299 -7.515 443 HA HIS 68 HA HIS 68 0.980 -1.342 -7.052 444 HB2 HIS 68 HB2 HIS 68 3.130 -1.514 -8.423 445 HB3 HIS 68 HB3 HIS 68 3.965 -0.876 -7.007 446 HD1 HIS 68 HD1 HIS 68 3.915 -3.879 -8.502 447 HD2 HIS 68 HD2 HIS 68 2.648 -2.760 -4.696 448 HE1 HIS 68 HE1 HIS 68 3.964 -5.979 -7.112 449 HE2 HIS 68 HE2 HIS 68 2.948 -5.321 -4.899 450 H VAL 69 H VAL 69 -0.016 -0.482 -5.127 451 HA VAL 69 HA VAL 69 1.984 0.144 -3.074 452 HB VAL 69 HB VAL 69 0.233 1.338 -1.842 453 HG11 VAL 69 2HG1 VAL 69 0.117 3.270 -3.335 454 HG12 VAL 69 1HG1 VAL 69 0.582 2.248 -4.695 455 HG13 VAL 69 3HG1 VAL 69 1.717 2.526 -3.373 456 HG21 VAL 69 3HG2 VAL 69 -1.738 0.157 -2.652 457 HG22 VAL 69 2HG2 VAL 69 -1.472 0.792 -4.274 458 HG23 VAL 69 1HG2 VAL 69 -1.894 1.888 -2.957 459 H ALA 70 H ALA 70 2.322 -1.334 -1.670 460 HA ALA 70 HA ALA 70 0.206 -3.285 -1.055 461 HB1 ALA 70 HB1 ALA 70 3.185 -3.754 -1.178 462 HB2 ALA 70 HB2 ALA 70 1.970 -4.949 -0.725 463 HB3 ALA 70 HB3 ALA 70 2.002 -4.303 -2.366 464 H TYR 71 H TYR 71 -0.353 -3.363 1.028 465 HA TYR 71 HA TYR 71 0.852 -1.564 2.877 466 HB2 TYR 71 HB2 TYR 71 -1.498 -1.933 3.076 467 HB3 TYR 71 HB3 TYR 71 -1.282 -3.681 3.162 468 HD1 TYR 71 HD1 TYR 71 -0.939 -0.517 4.999 469 HD2 TYR 71 HD2 TYR 71 -0.690 -4.758 5.206 470 HE1 TYR 71 HE1 TYR 71 -0.865 -0.380 7.451 471 HE2 TYR 71 HE2 TYR 71 -0.621 -4.633 7.667 472 HH TYR 71 HH TYR 71 -1.362 -1.793 9.386 473 H VAL 72 H VAL 72 2.461 -1.922 4.261 474 HA VAL 72 HA VAL 72 3.827 -4.469 4.070 475 HB VAL 72 HB VAL 72 4.667 -2.046 5.660 476 HG11 VAL 72 2HG1 VAL 72 6.917 -2.969 5.368 477 HG12 VAL 72 1HG1 VAL 72 6.236 -4.349 4.504 478 HG13 VAL 72 3HG1 VAL 72 5.850 -4.095 6.206 479 HG21 VAL 72 3HG2 VAL 72 5.273 -2.686 2.771 480 HG22 VAL 72 2HG2 VAL 72 5.996 -1.378 3.707 481 HG23 VAL 72 1HG2 VAL 72 4.266 -1.358 3.356 482 H GLU 73 H GLU 73 3.560 -6.051 5.477 483 HA GLU 73 HA GLU 73 2.095 -5.555 7.934 484 HB2 GLU 73 HB2 GLU 73 2.898 -8.035 6.437 485 HB3 GLU 73 HB3 GLU 73 2.290 -8.128 8.084 486 HG2 GLU 73 HG2 GLU 73 0.771 -6.726 5.913 487 HG3 GLU 73 HG3 GLU 73 0.626 -8.463 6.184 488 H SER 74 H SER 74 5.337 -6.214 6.877 489 HA SER 74 HA SER 74 6.508 -5.641 9.350 490 HB2 SER 74 HB2 SER 74 7.357 -7.966 9.908 491 HB3 SER 74 HB3 SER 74 5.638 -7.706 10.207 492 HG SER 74 HG SER 74 5.350 -8.625 8.019 493 H VAL 75 H VAL 75 8.796 -5.730 9.289 494 HA VAL 75 HA VAL 75 9.932 -6.545 6.700 495 HB VAL 75 HB VAL 75 10.357 -4.198 7.070 496 HG11 VAL 75 2HG1 VAL 75 10.073 -4.066 9.467 497 HG12 VAL 75 1HG1 VAL 75 11.638 -3.392 9.010 498 HG13 VAL 75 3HG1 VAL 75 11.545 -5.004 9.719 499 HG21 VAL 75 3HG2 VAL 75 12.817 -4.166 7.028 500 HG22 VAL 75 2HG2 VAL 75 12.158 -5.459 6.027 501 HG23 VAL 75 1HG2 VAL 75 12.840 -5.830 7.608 502 H ASN 76 H ASN 76 11.182 -8.279 6.693 503 HA ASN 76 HA ASN 76 11.382 -9.786 9.119 504 HB2 ASN 76 HB2 ASN 76 12.490 -10.437 6.380 505 HB3 ASN 76 HB3 ASN 76 12.279 -11.567 7.713 506 HD21 ASN 76 1HD2 ASN 76 11.205 -11.613 5.011 507 HD22 ASN 76 2HD2 ASN 76 9.483 -11.696 5.186 508 H SER 77 H SER 77 13.353 -10.752 9.919 509 HA SER 77 HA SER 77 15.488 -8.841 10.118 510 HB2 SER 77 HB2 SER 77 14.761 -10.323 12.003 511 HB3 SER 77 HB3 SER 77 15.407 -11.702 11.117 512 HG SER 77 HG SER 77 17.385 -10.089 11.125 513 H ASP 78 H ASP 78 14.668 -11.137 7.890 514 HA ASP 78 HA ASP 78 17.339 -11.956 7.135 515 HB2 ASP 78 HB2 ASP 78 14.720 -12.353 5.667 516 HB3 ASP 78 HB3 ASP 78 16.229 -13.207 5.368 517 H GLY 79 H GLY 79 15.660 -9.169 6.814 518 HA2 GLY 79 HA1 GLY 79 16.201 -7.279 5.571 519 HA3 GLY 79 HA2 GLY 79 17.243 -8.265 4.557 520 H SER 80 H SER 80 14.346 -9.803 4.860 521 HA SER 80 HA SER 80 13.397 -8.757 2.306 522 HB2 SER 80 HB2 SER 80 11.876 -10.826 2.445 523 HB3 SER 80 HB3 SER 80 13.600 -11.110 2.210 524 HG SER 80 HG SER 80 13.256 -12.410 3.856 525 H VAL 81 H VAL 81 11.267 -8.023 2.050 526 HA VAL 81 HA VAL 81 10.019 -7.227 4.591 527 HB VAL 81 HB VAL 81 9.824 -5.889 1.890 528 HG11 VAL 81 2HG1 VAL 81 8.664 -4.096 3.097 529 HG12 VAL 81 1HG1 VAL 81 8.684 -5.081 4.561 530 HG13 VAL 81 3HG1 VAL 81 7.771 -5.615 3.150 531 HG21 VAL 81 3HG2 VAL 81 11.100 -4.084 2.981 532 HG22 VAL 81 2HG2 VAL 81 12.007 -5.594 2.895 533 HG23 VAL 81 1HG2 VAL 81 11.268 -5.096 4.417 534 H THR 82 H THR 82 8.095 -7.957 5.087 535 HA THR 82 HA THR 82 6.646 -9.590 3.154 536 HB THR 82 HB THR 82 6.203 -9.206 6.125 537 HG1 THR 82 HG1 THR 82 7.807 -10.581 6.268 538 HG21 THR 82 3HG2 THR 82 4.761 -11.189 5.957 539 HG22 THR 82 1HG2 THR 82 5.003 -11.216 4.211 540 HG23 THR 82 2HG2 THR 82 4.149 -9.867 4.961 541 H ILE 83 H ILE 83 5.320 -8.451 1.895 542 HA ILE 83 HA ILE 83 3.723 -6.309 3.124 543 HB ILE 83 HB ILE 83 3.397 -5.460 0.803 544 HG12 ILE 83 2HG1 ILE 83 5.564 -7.462 0.128 545 HG13 ILE 83 3HG1 ILE 83 3.885 -7.568 -0.386 546 HG21 ILE 83 2HG2 ILE 83 5.610 -4.440 0.621 547 HG22 ILE 83 1HG2 ILE 83 6.255 -5.638 1.744 548 HG23 ILE 83 3HG2 ILE 83 5.050 -4.472 2.294 549 HD11 ILE 83 3HD1 ILE 83 4.145 -5.520 -1.677 550 HD12 ILE 83 2HD1 ILE 83 5.312 -6.747 -2.167 551 HD13 ILE 83 1HD1 ILE 83 5.824 -5.400 -1.151 552 H SER 84 H SER 84 1.528 -6.141 2.591 553 HA SER 84 HA SER 84 0.334 -8.607 1.522 554 HB2 SER 84 HB2 SER 84 0.220 -8.272 4.070 555 HB3 SER 84 HB3 SER 84 -0.899 -6.955 3.724 556 HG SER 84 HG SER 84 -1.216 -9.663 2.928 557 H GLU 85 H GLU 85 -0.167 -7.845 -0.456 558 HA GLU 85 HA GLU 85 -1.954 -5.514 -0.619 559 HB2 GLU 85 HB2 GLU 85 -1.294 -5.424 -3.034 560 HB3 GLU 85 HB3 GLU 85 0.029 -5.122 -1.916 561 HG2 GLU 85 HG2 GLU 85 0.781 -7.445 -2.212 562 HG3 GLU 85 HG3 GLU 85 -0.515 -7.696 -3.380 563 H MET 86 H MET 86 -4.002 -6.196 -0.623 564 HA MET 86 HA MET 86 -4.680 -8.817 -1.601 565 HB2 MET 86 HB2 MET 86 -5.760 -7.702 0.416 566 HB3 MET 86 HB3 MET 86 -6.617 -6.674 -0.728 567 HG2 MET 86 HG2 MET 86 -7.547 -8.712 -1.787 568 HG3 MET 86 HG3 MET 86 -6.789 -9.668 -0.520 569 HE1 MET 86 HE1 MET 86 -8.762 -8.789 2.653 570 HE2 MET 86 HE2 MET 86 -7.630 -9.900 1.880 571 HE3 MET 86 HE3 MET 86 -7.174 -8.216 2.138 572 H ASN 87 H ASN 87 -5.430 -9.330 -3.529 573 HA ASN 87 HA ASN 87 -6.445 -9.265 -5.554 574 HB2 ASN 87 HB2 ASN 87 -8.243 -7.959 -4.486 575 HB3 ASN 87 HB3 ASN 87 -7.347 -6.478 -4.804 576 HD21 ASN 87 1HD2 ASN 87 -7.175 -5.739 -6.957 577 HD22 ASN 87 2HD2 ASN 87 -8.257 -6.289 -8.191 578 H TYR 88 H TYR 88 -5.236 -5.978 -4.953 579 HA TYR 88 HA TYR 88 -3.893 -4.588 -6.131 580 HB2 TYR 88 HB2 TYR 88 -2.287 -6.489 -5.907 581 HB3 TYR 88 HB3 TYR 88 -2.857 -7.108 -7.450 582 HD1 TYR 88 HD1 TYR 88 -1.676 -3.812 -6.124 583 HD2 TYR 88 HD2 TYR 88 -1.426 -6.742 -9.198 584 HE1 TYR 88 HE1 TYR 88 0.031 -2.461 -7.266 585 HE2 TYR 88 HE2 TYR 88 0.282 -5.401 -10.347 586 HH TYR 88 HH TYR 88 1.194 -3.273 -10.459 587 H SER 89 H SER 89 -4.077 -6.954 -8.697 588 HA SER 89 HA SER 89 -6.380 -5.951 -9.995 589 HB2 SER 89 HB2 SER 89 -3.696 -5.008 -10.995 590 HB3 SER 89 HB3 SER 89 -5.052 -5.217 -12.105 591 HG SER 89 HG SER 89 -5.344 -3.719 -9.728 592 H GLY 90 H GLY 90 -5.418 -8.403 -9.098 593 HA2 GLY 90 HA1 GLY 90 -4.922 -9.829 -11.647 594 HA3 GLY 90 HA2 GLY 90 -4.099 -10.277 -10.159 595 H GLY 91 H GLY 91 -5.242 -11.323 -8.520 596 HA2 GLY 91 HA1 GLY 91 -7.758 -12.545 -9.418 597 HA3 GLY 91 HA2 GLY 91 -6.739 -13.122 -8.104 598 HA PRO 92 HA PRO 92 -10.108 -9.683 -6.917 599 HB2 PRO 92 HB2 PRO 92 -11.989 -12.003 -6.941 600 HB3 PRO 92 HB3 PRO 92 -12.302 -10.290 -7.263 601 HG2 PRO 92 HG2 PRO 92 -12.144 -11.991 -9.283 602 HG3 PRO 92 HG3 PRO 92 -11.385 -10.388 -9.402 603 HD2 PRO 92 HD2 PRO 92 -10.116 -13.055 -8.902 604 HD3 PRO 92 HD3 PRO 92 -9.536 -11.696 -9.888 605 H PHE 93 H PHE 93 -9.414 -9.413 -4.948 606 HA PHE 93 HA PHE 93 -9.088 -9.613 -2.735 607 HB2 PHE 93 HB2 PHE 93 -10.959 -11.957 -2.994 608 HB3 PHE 93 HB3 PHE 93 -10.277 -11.411 -1.462 609 HD1 PHE 93 HD2 PHE 93 -12.479 -10.438 -4.272 610 HD2 PHE 93 HD1 PHE 93 -11.176 -9.561 -0.319 611 HE1 PHE 93 HE2 PHE 93 -14.323 -8.827 -4.028 612 HE2 PHE 93 HE1 PHE 93 -13.019 -7.952 -0.063 613 HZ PHE 93 HZ PHE 93 -14.595 -7.582 -1.919 614 H SER 94 H SER 94 -7.690 -11.505 -4.911 615 HA SER 94 HA SER 94 -6.436 -13.420 -3.199 616 HB2 SER 94 HB2 SER 94 -5.518 -12.285 -5.852 617 HB3 SER 94 HB3 SER 94 -4.731 -13.622 -5.001 618 HG SER 94 HG SER 94 -7.143 -14.419 -5.083 619 H VAL 95 H VAL 95 -5.847 -12.266 -1.395 620 HA VAL 95 HA VAL 95 -4.244 -9.981 -1.423 621 HB VAL 95 HB VAL 95 -5.331 -10.454 0.608 622 HG11 VAL 95 2HG1 VAL 95 -5.677 -12.828 0.336 623 HG12 VAL 95 1HG1 VAL 95 -4.972 -12.498 1.919 624 HG13 VAL 95 3HG1 VAL 95 -3.963 -13.140 0.622 625 HG21 VAL 95 3HG2 VAL 95 -2.416 -11.097 1.030 626 HG22 VAL 95 2HG2 VAL 95 -3.540 -10.529 2.263 627 HG23 VAL 95 1HG2 VAL 95 -3.118 -9.482 0.908 628 H SER 96 H SER 96 -2.460 -9.983 -2.650 629 HA SER 96 HA SER 96 -0.890 -12.335 -3.062 630 HB2 SER 96 HB2 SER 96 -0.405 -9.473 -3.933 631 HB3 SER 96 HB3 SER 96 0.455 -10.894 -4.533 632 HG SER 96 HG SER 96 -2.018 -11.516 -4.859 633 H SER 97 H SER 97 0.415 -13.049 -1.572 634 HA SER 97 HA SER 97 1.764 -11.263 0.265 635 HB2 SER 97 HB2 SER 97 2.010 -14.261 -0.082 636 HB3 SER 97 HB3 SER 97 2.723 -13.325 1.229 637 HG SER 97 HG SER 97 0.855 -13.262 2.195 638 H ARG 98 H ARG 98 3.148 -10.027 -0.972 639 HA ARG 98 HA ARG 98 5.139 -11.381 -2.620 640 HB2 ARG 98 HB2 ARG 98 4.797 -8.423 -2.098 641 HB3 ARG 98 HB3 ARG 98 5.855 -9.151 -3.296 642 HG2 ARG 98 HG2 ARG 98 2.858 -9.373 -3.316 643 HG3 ARG 98 HG3 ARG 98 3.781 -8.179 -4.221 644 HD2 ARG 98 HD2 ARG 98 5.010 -10.185 -5.238 645 HD3 ARG 98 HD3 ARG 98 3.686 -11.153 -4.589 646 HE ARG 98 HE ARG 98 2.703 -8.935 -6.071 647 HH11 ARG 98 2HH1 ARG 98 3.999 -12.175 -6.461 648 HH12 ARG 98 1HH1 ARG 98 3.346 -12.359 -8.066 649 HH21 ARG 98 2HH2 ARG 98 1.868 -9.186 -8.158 650 HH22 ARG 98 1HH2 ARG 98 2.147 -10.664 -9.030 651 H THR 99 H THR 99 7.428 -10.724 -2.352 652 HA THR 99 HA THR 99 8.108 -10.077 0.433 653 HB THR 99 HB THR 99 9.405 -12.299 -1.166 654 HG1 THR 99 HG1 THR 99 7.196 -12.249 0.407 655 HG21 THR 99 3HG2 THR 99 10.945 -11.157 0.379 656 HG22 THR 99 1HG2 THR 99 10.594 -12.803 0.910 657 HG23 THR 99 2HG2 THR 99 9.814 -11.435 1.703 658 H ILE 100 H ILE 100 9.084 -8.185 0.255 659 HA ILE 100 HA ILE 100 10.486 -7.440 -2.167 660 HB ILE 100 HB ILE 100 10.016 -5.897 0.387 661 HG12 ILE 100 2HG1 ILE 100 7.935 -6.350 -0.736 662 HG13 ILE 100 3HG1 ILE 100 8.360 -4.658 -0.992 663 HG21 ILE 100 2HG2 ILE 100 11.975 -5.058 -0.758 664 HG22 ILE 100 1HG2 ILE 100 10.641 -3.914 -0.915 665 HG23 ILE 100 3HG2 ILE 100 11.075 -4.956 -2.270 666 HD11 ILE 100 3HD1 ILE 100 9.160 -5.199 -3.232 667 HD12 ILE 100 2HD1 ILE 100 7.475 -5.671 -3.016 668 HD13 ILE 100 1HD1 ILE 100 8.744 -6.895 -2.975 669 H SER 101 H SER 101 12.617 -7.593 -2.465 670 HA SER 101 HA SER 101 14.391 -8.168 -0.258 671 HB2 SER 101 HB2 SER 101 14.718 -9.122 -2.569 672 HB3 SER 101 HB3 SER 101 15.111 -7.497 -3.124 673 HG SER 101 HG SER 101 16.599 -9.271 -1.589 674 H ALA 102 H ALA 102 15.912 -6.748 0.616 675 HA ALA 102 HA ALA 102 15.099 -4.126 0.986 676 HB1 ALA 102 HB1 ALA 102 17.209 -3.763 2.113 677 HB2 ALA 102 HB2 ALA 102 16.570 -5.356 2.519 678 HB3 ALA 102 HB3 ALA 102 17.890 -5.204 1.356 679 H SER 103 H SER 103 17.183 -5.445 -1.468 680 HA SER 103 HA SER 103 18.490 -3.143 -2.342 681 HB2 SER 103 HB2 SER 103 17.541 -5.403 -4.107 682 HB3 SER 103 HB3 SER 103 18.947 -4.364 -4.347 683 HG SER 103 HG SER 103 19.121 -6.623 -3.314 684 H GLU 104 H GLU 104 15.315 -4.453 -3.270 685 HA GLU 104 HA GLU 104 14.802 -2.135 -4.953 686 HB2 GLU 104 HB2 GLU 104 13.174 -4.596 -4.319 687 HB3 GLU 104 HB3 GLU 104 12.532 -3.248 -5.248 688 HG2 GLU 104 HG2 GLU 104 14.280 -3.545 -6.910 689 HG3 GLU 104 HG3 GLU 104 14.948 -4.885 -5.978 690 H ALA 105 H ALA 105 14.262 -3.203 -1.746 691 HA ALA 105 HA ALA 105 11.981 -1.738 -1.045 692 HB1 ALA 105 HB1 ALA 105 14.355 -2.475 0.662 693 HB2 ALA 105 HB2 ALA 105 12.786 -1.936 1.261 694 HB3 ALA 105 HB3 ALA 105 12.919 -3.462 0.387 695 H GLY 106 H GLY 106 15.380 -0.822 -1.224 696 HA2 GLY 106 HA1 GLY 106 15.096 1.768 -0.106 697 HA3 GLY 106 HA2 GLY 106 16.398 1.242 -1.162 698 H ASN 107 H ASN 107 14.136 0.502 -3.132 699 HA ASN 107 HA ASN 107 14.123 3.076 -4.485 700 HB2 ASN 107 HB2 ASN 107 14.663 1.197 -5.872 701 HB3 ASN 107 HB3 ASN 107 13.259 0.296 -5.309 702 HD21 ASN 107 1HD2 ASN 107 11.234 0.753 -6.162 703 HD22 ASN 107 2HD2 ASN 107 11.017 1.747 -7.561 704 H TYR 108 H TYR 108 11.910 0.900 -2.883 705 HA TYR 108 HA TYR 108 9.544 2.075 -3.983 706 HB2 TYR 108 HB2 TYR 108 9.902 0.216 -1.634 707 HB3 TYR 108 HB3 TYR 108 8.359 0.651 -2.357 708 HD1 TYR 108 HD2 TYR 108 8.873 0.470 -5.209 709 HD2 TYR 108 HD1 TYR 108 10.248 -2.026 -2.057 710 HE1 TYR 108 HE2 TYR 108 9.070 -1.402 -6.785 711 HE2 TYR 108 HE1 TYR 108 10.446 -3.905 -3.624 712 HH TYR 108 HH TYR 108 10.307 -3.507 -6.995 713 H ASN 109 H ASN 109 8.686 3.914 -3.405 714 HA ASN 109 HA ASN 109 9.477 5.294 -0.999 715 HB2 ASN 109 HB2 ASN 109 7.548 6.005 -3.215 716 HB3 ASN 109 HB3 ASN 109 7.805 7.032 -1.809 717 HD21 ASN 109 1HD2 ASN 109 8.988 6.056 -4.862 718 HD22 ASN 109 2HD2 ASN 109 10.401 7.051 -4.883 719 H TYR 110 H TYR 110 8.120 5.850 0.729 720 HA TYR 110 HA TYR 110 5.501 4.556 0.779 721 HB2 TYR 110 HB2 TYR 110 5.823 3.532 2.892 722 HB3 TYR 110 HB3 TYR 110 7.213 3.086 1.921 723 HD1 TYR 110 HD2 TYR 110 8.695 5.795 2.336 724 HD2 TYR 110 HD1 TYR 110 6.793 3.080 4.987 725 HE1 TYR 110 HE2 TYR 110 10.155 6.552 4.154 726 HE2 TYR 110 HE1 TYR 110 8.257 3.824 6.811 727 HH TYR 110 HH TYR 110 10.501 4.886 7.056 728 H ILE 111 H ILE 111 4.017 5.540 2.318 729 HA ILE 111 HA ILE 111 4.777 8.346 2.724 730 HB ILE 111 HB ILE 111 2.395 8.906 2.506 731 HG12 ILE 111 2HG1 ILE 111 2.080 5.962 1.860 732 HG13 ILE 111 3HG1 ILE 111 1.387 6.802 3.240 733 HG21 ILE 111 2HG2 ILE 111 3.871 8.992 0.572 734 HG22 ILE 111 1HG2 ILE 111 2.245 8.508 0.089 735 HG23 ILE 111 3HG2 ILE 111 3.525 7.301 0.216 736 HD11 ILE 111 3HD1 ILE 111 0.053 8.179 1.680 737 HD12 ILE 111 2HD1 ILE 111 -0.307 6.455 1.579 738 HD13 ILE 111 1HD1 ILE 111 0.692 7.220 0.340 739 H HIS 112 H HIS 112 4.550 9.301 4.630 740 HA HIS 112 HA HIS 112 3.689 7.618 6.892 741 HB2 HIS 112 HB2 HIS 112 6.117 9.130 6.374 742 HB3 HIS 112 HB3 HIS 112 5.368 9.603 7.893 743 HD1 HIS 112 HD1 HIS 112 5.277 7.845 9.772 744 HD2 HIS 112 HD2 HIS 112 7.234 6.554 6.320 745 HE1 HIS 112 HE1 HIS 112 6.515 5.766 10.445 746 HE2 HIS 112 HE2 HIS 112 7.777 5.057 8.385 747 H ILE 113 H ILE 113 2.508 8.532 8.545 748 HA ILE 113 HA ILE 113 1.266 11.114 8.044 749 HB ILE 113 HB ILE 113 0.881 9.105 10.277 750 HG12 ILE 113 2HG1 ILE 113 -0.002 8.432 8.075 751 HG13 ILE 113 3HG1 ILE 113 -1.290 8.707 9.243 752 HG21 ILE 113 2HG2 ILE 113 0.492 11.339 11.142 753 HG22 ILE 113 1HG2 ILE 113 -1.035 10.470 10.984 754 HG23 ILE 113 3HG2 ILE 113 -0.587 11.695 9.795 755 HD11 ILE 113 3HD1 ILE 113 -0.432 10.603 7.071 756 HD12 ILE 113 2HD1 ILE 113 -1.707 10.903 8.253 757 HD13 ILE 113 1HD1 ILE 113 -1.881 9.600 7.078 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 -22.072 1.372 15.108 2 H2 GLY 1 H2 GLY 1 -23.655 0.943 15.538 3 H3 GLY 1 H3 GLY 1 -23.207 1.004 13.902 4 HA2 GLY 1 HA2 GLY 1 -22.204 -0.910 15.932 5 HA3 GLY 1 HA1 GLY 1 -23.321 -1.276 14.624 6 H SER 2 H SER 2 -22.328 -0.291 12.417 7 HA SER 2 HA SER 2 -20.012 -1.875 11.903 8 HB2 SER 2 HB2 SER 2 -21.199 0.252 10.110 9 HB3 SER 2 HB3 SER 2 -20.248 -1.155 9.628 10 HG SER 2 HG SER 2 -21.972 -2.478 10.394 11 H SER 3 H SER 3 -18.002 -1.288 12.445 12 HA SER 3 HA SER 3 -17.398 1.580 12.629 13 HB2 SER 3 HB2 SER 3 -16.997 0.151 14.639 14 HB3 SER 3 HB3 SER 3 -15.805 -0.757 13.712 15 HG SER 3 HG SER 3 -14.689 0.773 14.832 16 H ILE 4 H ILE 4 -17.041 2.024 10.467 17 HA ILE 4 HA ILE 4 -14.723 0.674 9.240 18 HB ILE 4 HB ILE 4 -16.913 2.254 7.876 19 HG12 ILE 4 2HG1 ILE 4 -17.723 0.089 8.690 20 HG13 ILE 4 3HG1 ILE 4 -17.614 0.091 6.935 21 HG21 ILE 4 2HG2 ILE 4 -14.806 2.467 6.703 22 HG22 ILE 4 1HG2 ILE 4 -15.897 1.429 5.786 23 HG23 ILE 4 3HG2 ILE 4 -14.587 0.718 6.729 24 HD11 ILE 4 3HD1 ILE 4 -16.841 -2.010 7.856 25 HD12 ILE 4 2HD1 ILE 4 -15.638 -1.163 8.829 26 HD13 ILE 4 1HD1 ILE 4 -15.515 -1.153 7.070 27 H SER 5 H SER 5 -16.290 3.772 9.834 28 HA SER 5 HA SER 5 -15.482 5.850 10.216 29 HB2 SER 5 HB2 SER 5 -13.682 4.693 11.508 30 HB3 SER 5 HB3 SER 5 -12.707 4.648 10.042 31 HG SER 5 HG SER 5 -13.666 6.969 11.382 32 H HIS 6 H HIS 6 -14.740 7.672 9.060 33 HA HIS 6 HA HIS 6 -14.214 8.929 7.243 34 HB2 HIS 6 HB2 HIS 6 -12.591 6.474 6.574 35 HB3 HIS 6 HB3 HIS 6 -12.553 7.938 5.597 36 HD1 HIS 6 HD1 HIS 6 -12.003 7.023 9.269 37 HD2 HIS 6 HD2 HIS 6 -10.611 9.636 6.351 38 HE1 HIS 6 HE1 HIS 6 -10.125 8.301 10.345 39 HE2 HIS 6 HE2 HIS 6 -9.437 10.006 8.621 40 H SER 7 H SER 7 -16.470 6.874 7.213 41 HA SER 7 HA SER 7 -18.126 6.166 5.832 42 HB2 SER 7 HB2 SER 7 -16.963 8.212 3.929 43 HB3 SER 7 HB3 SER 7 -18.557 7.468 3.793 44 HG SER 7 HG SER 7 -18.981 9.302 4.842 45 H GLY 8 H GLY 8 -15.309 5.050 5.655 46 HA2 GLY 8 HA1 GLY 8 -14.798 2.989 4.566 47 HA3 GLY 8 HA2 GLY 8 -15.760 3.517 3.190 48 H ASN 9 H ASN 9 -14.118 3.184 1.697 49 HA ASN 9 HA ASN 9 -11.916 5.125 1.865 50 HB2 ASN 9 HB2 ASN 9 -11.141 2.812 2.325 51 HB3 ASN 9 HB3 ASN 9 -11.745 2.322 0.749 52 HD21 ASN 9 1HD2 ASN 9 -9.712 1.647 0.176 53 HD22 ASN 9 2HD2 ASN 9 -8.458 2.748 -0.272 54 H LEU 10 H LEU 10 -14.624 4.540 0.386 55 HA LEU 10 HA LEU 10 -15.614 5.149 -1.571 56 HB2 LEU 10 HB2 LEU 10 -13.020 6.570 -2.154 57 HB3 LEU 10 HB3 LEU 10 -14.582 6.908 -2.872 58 HG LEU 10 HG LEU 10 -13.978 7.278 0.064 59 HD11 LEU 10 2HD1 LEU 10 -14.006 9.325 -2.155 60 HD12 LEU 10 1HD1 LEU 10 -12.581 8.770 -1.276 61 HD13 LEU 10 3HD1 LEU 10 -13.841 9.671 -0.434 62 HD21 LEU 10 3HD2 LEU 10 -16.254 8.220 -1.676 63 HD22 LEU 10 2HD2 LEU 10 -16.024 8.621 0.027 64 HD23 LEU 10 1HD2 LEU 10 -16.335 6.953 -0.453 65 H TYR 11 H TYR 11 -13.185 2.979 -1.509 66 HA TYR 11 HA TYR 11 -12.803 2.862 -4.406 67 HB2 TYR 11 HB2 TYR 11 -11.025 2.559 -2.253 68 HB3 TYR 11 HB3 TYR 11 -11.203 0.963 -2.956 69 HD1 TYR 11 HD2 TYR 11 -10.710 0.657 -5.414 70 HD2 TYR 11 HD1 TYR 11 -9.738 4.228 -3.325 71 HE1 TYR 11 HE2 TYR 11 -9.164 1.275 -7.217 72 HE2 TYR 11 HE1 TYR 11 -8.185 4.859 -5.129 73 HH TYR 11 HH TYR 11 -8.101 3.218 -8.145 74 H THR 12 H THR 12 -12.338 0.525 -5.123 75 HA THR 12 HA THR 12 -14.862 -0.814 -4.968 76 HB THR 12 HB THR 12 -12.431 -1.971 -6.301 77 HG1 THR 12 HG1 THR 12 -14.067 0.154 -7.289 78 HG21 THR 12 3HG2 THR 12 -15.326 -1.891 -7.147 79 HG22 THR 12 1HG2 THR 12 -14.581 -3.225 -6.263 80 HG23 THR 12 2HG2 THR 12 -14.027 -2.825 -7.889 81 H ALA 13 H ALA 13 -15.275 -2.866 -4.185 82 HA ALA 13 HA ALA 13 -14.176 -3.597 -1.767 83 HB1 ALA 13 HB1 ALA 13 -16.386 -4.297 -2.504 84 HB2 ALA 13 HB2 ALA 13 -15.658 -5.345 -3.723 85 HB3 ALA 13 HB3 ALA 13 -15.421 -5.688 -2.009 86 H GLY 14 H GLY 14 -12.145 -4.179 -1.406 87 HA2 GLY 14 HA1 GLY 14 -10.349 -5.623 -1.342 88 HA3 GLY 14 HA2 GLY 14 -11.167 -6.626 -2.528 89 H GLN 15 H GLN 15 -10.226 -3.217 -2.801 90 HA GLN 15 HA GLN 15 -8.632 -3.859 -5.161 91 HB2 GLN 15 HB2 GLN 15 -9.597 -1.319 -3.899 92 HB3 GLN 15 HB3 GLN 15 -8.233 -1.268 -5.008 93 HG2 GLN 15 HG2 GLN 15 -10.904 -2.452 -5.686 94 HG3 GLN 15 HG3 GLN 15 -10.443 -0.785 -6.038 95 HE21 GLN 15 1HE2 GLN 15 -10.039 -4.105 -6.873 96 HE22 GLN 15 2HE2 GLN 15 -9.075 -3.857 -8.284 97 H CYS 16 H CYS 16 -6.425 -3.085 -5.394 98 HA CYS 16 HA CYS 16 -4.700 -3.759 -3.314 99 HB2 CYS 16 HB2 CYS 16 -2.979 -2.421 -4.625 100 HB3 CYS 16 HB3 CYS 16 -3.805 -3.705 -5.503 101 HG CYS 16 HG CYS 16 -4.395 -2.191 -7.473 102 H THR 17 H THR 17 -5.676 -0.519 -4.376 103 HA THR 17 HA THR 17 -4.325 0.797 -2.214 104 HB THR 17 HB THR 17 -5.725 2.786 -2.972 105 HG1 THR 17 HG1 THR 17 -6.633 2.326 -5.169 106 HG21 THR 17 3HG2 THR 17 -3.453 2.457 -3.781 107 HG22 THR 17 1HG2 THR 17 -4.481 3.049 -5.085 108 HG23 THR 17 2HG2 THR 17 -4.034 1.344 -5.021 109 H TRP 18 H TRP 18 -7.352 -0.737 -2.615 110 HA TRP 18 HA TRP 18 -8.764 0.691 -0.602 111 HB2 TRP 18 HB2 TRP 18 -9.903 -0.516 -2.431 112 HB3 TRP 18 HB3 TRP 18 -9.330 -2.039 -1.763 113 HD1 TRP 18 HD1 TRP 18 -11.913 0.709 -1.178 114 HE1 TRP 18 HE1 TRP 18 -13.638 -0.132 0.532 115 HE3 TRP 18 HE3 TRP 18 -9.625 -3.641 0.222 116 HZ2 TRP 18 HZ2 TRP 18 -13.989 -2.339 2.255 117 HZ3 TRP 18 HZ3 TRP 18 -10.723 -5.056 1.906 118 HH2 TRP 18 HH2 TRP 18 -12.858 -4.420 2.901 119 H TYR 19 H TYR 19 -7.119 -2.450 -0.762 120 HA TYR 19 HA TYR 19 -7.782 -3.295 1.847 121 HB2 TYR 19 HB2 TYR 19 -7.005 -4.769 0.022 122 HB3 TYR 19 HB3 TYR 19 -5.399 -4.067 0.161 123 HD1 TYR 19 HD2 TYR 19 -7.959 -5.646 2.387 124 HD2 TYR 19 HD1 TYR 19 -3.848 -5.297 1.340 125 HE1 TYR 19 HE2 TYR 19 -7.397 -7.360 4.055 126 HE2 TYR 19 HE1 TYR 19 -3.278 -7.016 3.007 127 HH TYR 19 HH TYR 19 -4.149 -8.032 4.977 128 H VAL 20 H VAL 20 -5.030 -1.505 0.576 129 HA VAL 20 HA VAL 20 -3.410 -1.490 2.842 130 HB VAL 20 HB VAL 20 -3.774 0.634 0.724 131 HG11 VAL 20 2HG1 VAL 20 -1.577 1.480 1.432 132 HG12 VAL 20 1HG1 VAL 20 -1.593 0.351 2.787 133 HG13 VAL 20 3HG1 VAL 20 -2.790 1.642 2.701 134 HG21 VAL 20 3HG2 VAL 20 -1.731 -0.329 -0.222 135 HG22 VAL 20 2HG2 VAL 20 -3.021 -1.528 -0.119 136 HG23 VAL 20 1HG2 VAL 20 -1.710 -1.541 1.060 137 H TYR 21 H TYR 21 -6.093 0.618 1.945 138 HA TYR 21 HA TYR 21 -5.816 2.411 4.137 139 HB2 TYR 21 HB2 TYR 21 -7.009 2.796 1.915 140 HB3 TYR 21 HB3 TYR 21 -8.342 1.866 2.582 141 HD1 TYR 21 HD1 TYR 21 -6.278 4.894 3.163 142 HD2 TYR 21 HD2 TYR 21 -9.963 2.895 3.899 143 HE1 TYR 21 HE1 TYR 21 -7.197 6.951 4.132 144 HE2 TYR 21 HE2 TYR 21 -10.893 4.947 4.869 145 HH TYR 21 HH TYR 21 -9.518 7.955 4.462 146 H ASP 22 H ASP 22 -7.680 -0.510 3.544 147 HA ASP 22 HA ASP 22 -9.202 -0.508 5.917 148 HB2 ASP 22 HB2 ASP 22 -9.851 -1.990 4.167 149 HB3 ASP 22 HB3 ASP 22 -8.254 -2.724 4.099 150 H LYS 23 H LYS 23 -6.058 -1.941 5.131 151 HA LYS 23 HA LYS 23 -5.637 -3.184 7.617 152 HB2 LYS 23 HB2 LYS 23 -3.786 -2.341 5.410 153 HB3 LYS 23 HB3 LYS 23 -3.180 -3.102 6.874 154 HG2 LYS 23 HG2 LYS 23 -5.293 -4.335 5.125 155 HG3 LYS 23 HG3 LYS 23 -3.566 -4.639 4.931 156 HD2 LYS 23 HD2 LYS 23 -5.014 -5.088 7.533 157 HD3 LYS 23 HD3 LYS 23 -4.858 -6.340 6.298 158 HE2 LYS 23 HE2 LYS 23 -2.448 -6.235 6.443 159 HE3 LYS 23 HE3 LYS 23 -2.542 -4.882 7.569 160 HZ1 LYS 23 HZ1 LYS 23 -2.125 -7.144 8.558 161 HZ2 LYS 23 HZ2 LYS 23 -3.735 -7.529 8.168 162 HZ3 LYS 23 HZ3 LYS 23 -3.403 -6.258 9.243 163 H VAL 24 H VAL 24 -4.853 0.084 6.503 164 HA VAL 24 HA VAL 24 -3.455 0.667 8.972 165 HB VAL 24 HB VAL 24 -3.257 2.964 8.173 166 HG11 VAL 24 2HG1 VAL 24 -1.632 1.311 7.411 167 HG12 VAL 24 1HG1 VAL 24 -1.902 2.557 6.192 168 HG13 VAL 24 3HG1 VAL 24 -2.640 0.966 6.005 169 HG21 VAL 24 3HG2 VAL 24 -5.422 3.215 7.092 170 HG22 VAL 24 2HG2 VAL 24 -4.942 2.073 5.836 171 HG23 VAL 24 1HG2 VAL 24 -4.121 3.627 5.974 172 H GLY 25 H GLY 25 -6.646 0.354 8.165 173 HA2 GLY 25 HA1 GLY 25 -8.573 0.833 9.323 174 HA3 GLY 25 HA2 GLY 25 -7.555 1.405 10.638 175 H GLY 26 H GLY 26 -7.682 2.633 7.328 176 HA2 GLY 26 HA1 GLY 26 -8.332 4.670 6.482 177 HA3 GLY 26 HA2 GLY 26 -9.375 4.842 7.885 178 H GLU 27 H GLU 27 -6.051 4.315 8.518 179 HA GLU 27 HA GLU 27 -5.823 6.709 9.977 180 HB2 GLU 27 HB2 GLU 27 -4.579 4.635 10.487 181 HB3 GLU 27 HB3 GLU 27 -3.614 4.882 9.040 182 HG2 GLU 27 HG2 GLU 27 -2.625 6.842 9.938 183 HG3 GLU 27 HG3 GLU 27 -3.747 6.857 11.298 184 H ILE 28 H ILE 28 -4.378 5.732 6.876 185 HA ILE 28 HA ILE 28 -4.110 8.586 6.239 186 HB ILE 28 HB ILE 28 -1.926 8.521 5.670 187 HG12 ILE 28 2HG1 ILE 28 -2.420 6.875 3.795 188 HG13 ILE 28 3HG1 ILE 28 -0.783 6.837 4.441 189 HG21 ILE 28 2HG2 ILE 28 -1.863 7.704 7.935 190 HG22 ILE 28 1HG2 ILE 28 -0.559 6.970 6.999 191 HG23 ILE 28 3HG2 ILE 28 -2.012 6.040 7.370 192 HD11 ILE 28 3HD1 ILE 28 -1.476 4.864 5.819 193 HD12 ILE 28 2HD1 ILE 28 -1.492 4.600 4.071 194 HD13 ILE 28 1HD1 ILE 28 -3.007 4.873 4.937 195 H GLY 29 H GLY 29 -4.715 9.152 4.158 196 HA2 GLY 29 HA1 GLY 29 -4.303 8.472 1.817 197 HA3 GLY 29 HA2 GLY 29 -4.926 6.897 2.260 198 H SER 30 H SER 30 -6.616 6.640 1.050 199 HA SER 30 HA SER 30 -8.547 6.834 -0.032 200 HB2 SER 30 HB2 SER 30 -10.432 8.033 0.960 201 HB3 SER 30 HB3 SER 30 -9.571 7.089 2.168 202 HG SER 30 HG SER 30 -8.425 9.243 2.513 203 H THR 31 H THR 31 -7.216 10.017 0.751 204 HA THR 31 HA THR 31 -8.316 11.103 -1.719 205 HB THR 31 HB THR 31 -8.393 12.482 0.318 206 HG1 THR 31 HG1 THR 31 -6.790 13.399 -1.840 207 HG21 THR 31 3HG2 THR 31 -5.379 12.448 0.160 208 HG22 THR 31 1HG2 THR 31 -6.364 11.690 1.413 209 HG23 THR 31 2HG2 THR 31 -6.339 13.446 1.253 210 H TRP 32 H TRP 32 -5.944 9.078 -1.331 211 HA TRP 32 HA TRP 32 -3.755 10.542 -2.534 212 HB2 TRP 32 HB2 TRP 32 -2.532 8.404 -2.418 213 HB3 TRP 32 HB3 TRP 32 -3.206 8.874 -0.863 214 HD1 TRP 32 HD1 TRP 32 -5.211 7.118 -3.614 215 HE1 TRP 32 HE1 TRP 32 -5.985 4.855 -2.742 216 HE3 TRP 32 HE3 TRP 32 -2.698 7.101 0.822 217 HZ2 TRP 32 HZ2 TRP 32 -5.588 3.232 -0.455 218 HZ3 TRP 32 HZ3 TRP 32 -2.946 5.140 2.307 219 HH2 TRP 32 HH2 TRP 32 -4.362 3.249 1.679 220 H GLY 33 H GLY 33 -6.520 9.166 -3.727 221 HA2 GLY 33 HA1 GLY 33 -7.137 8.836 -5.951 222 HA3 GLY 33 HA2 GLY 33 -5.460 9.125 -6.399 223 H ASN 34 H ASN 34 -4.465 7.481 -7.253 224 HA ASN 34 HA ASN 34 -5.063 4.799 -6.245 225 HB2 ASN 34 HB2 ASN 34 -4.593 3.977 -8.569 226 HB3 ASN 34 HB3 ASN 34 -6.070 4.918 -8.419 227 HD21 ASN 34 1HD2 ASN 34 -2.836 4.858 -9.664 228 HD22 ASN 34 2HD2 ASN 34 -3.000 6.218 -10.715 229 H ALA 35 H ALA 35 -3.185 3.283 -7.009 230 HA ALA 35 HA ALA 35 -1.067 3.912 -5.380 231 HB1 ALA 35 HB1 ALA 35 0.057 1.991 -6.314 232 HB2 ALA 35 HB2 ALA 35 -1.662 1.657 -6.107 233 HB3 ALA 35 HB3 ALA 35 -1.018 2.012 -7.712 234 H ASN 36 H ASN 36 -1.098 4.102 -8.922 235 HA ASN 36 HA ASN 36 1.498 4.869 -9.410 236 HB2 ASN 36 HB2 ASN 36 -0.082 4.271 -11.153 237 HB3 ASN 36 HB3 ASN 36 -1.033 5.714 -10.828 238 HD21 ASN 36 1HD2 ASN 36 1.875 4.458 -12.250 239 HD22 ASN 36 2HD2 ASN 36 2.278 5.880 -13.142 240 H ASN 37 H ASN 37 -1.133 6.840 -8.207 241 HA ASN 37 HA ASN 37 0.443 9.283 -8.621 242 HB2 ASN 37 HB2 ASN 37 -1.882 9.156 -9.527 243 HB3 ASN 37 HB3 ASN 37 -2.480 8.973 -7.884 244 HD21 ASN 37 1HD2 ASN 37 -2.737 10.746 -6.634 245 HD22 ASN 37 2HD2 ASN 37 -2.420 12.368 -7.161 246 H TRP 38 H TRP 38 0.359 7.057 -6.371 247 HA TRP 38 HA TRP 38 -0.568 8.075 -3.990 248 HB2 TRP 38 HB2 TRP 38 1.281 5.991 -4.782 249 HB3 TRP 38 HB3 TRP 38 1.745 6.746 -3.253 250 HD1 TRP 38 HD1 TRP 38 -1.826 5.929 -4.522 251 HE1 TRP 38 HE1 TRP 38 -2.957 4.488 -2.740 252 HE3 TRP 38 HE3 TRP 38 2.112 5.415 -1.330 253 HZ2 TRP 38 HZ2 TRP 38 -2.243 3.278 -0.230 254 HZ3 TRP 38 HZ3 TRP 38 1.821 4.105 0.723 255 HH2 TRP 38 HH2 TRP 38 -0.297 3.060 1.254 256 H ALA 39 H ALA 39 2.854 8.241 -5.007 257 HA ALA 39 HA ALA 39 3.729 9.678 -2.808 258 HB1 ALA 39 HB1 ALA 39 5.253 8.567 -4.344 259 HB2 ALA 39 HB2 ALA 39 4.863 9.745 -5.600 260 HB3 ALA 39 HB3 ALA 39 5.694 10.262 -4.133 261 H ALA 40 H ALA 40 2.359 10.869 -5.828 262 HA ALA 40 HA ALA 40 2.872 13.616 -5.331 263 HB1 ALA 40 HB1 ALA 40 2.432 12.741 -7.569 264 HB2 ALA 40 HB2 ALA 40 0.782 12.344 -7.092 265 HB3 ALA 40 HB3 ALA 40 1.300 14.027 -7.148 266 H ALA 41 H ALA 41 -0.083 11.646 -5.000 267 HA ALA 41 HA ALA 41 -1.672 13.749 -3.968 268 HB1 ALA 41 HB1 ALA 41 -3.294 12.011 -3.417 269 HB2 ALA 41 HB2 ALA 41 -2.644 11.778 -5.037 270 HB3 ALA 41 HB3 ALA 41 -2.080 10.764 -3.706 271 H ALA 42 H ALA 42 0.164 11.156 -2.433 272 HA ALA 42 HA ALA 42 -0.676 11.550 0.216 273 HB1 ALA 42 HB1 ALA 42 1.979 10.547 -0.812 274 HB2 ALA 42 HB2 ALA 42 1.386 10.377 0.841 275 HB3 ALA 42 HB3 ALA 42 0.545 9.572 -0.484 276 H GLN 43 H GLN 43 2.138 12.883 -1.543 277 HA GLN 43 HA GLN 43 3.159 14.420 0.580 278 HB2 GLN 43 HB2 GLN 43 3.422 14.690 -2.409 279 HB3 GLN 43 HB3 GLN 43 4.227 15.786 -1.297 280 HG2 GLN 43 HG2 GLN 43 5.431 13.916 -0.309 281 HG3 GLN 43 HG3 GLN 43 4.595 12.802 -1.389 282 HE21 GLN 43 1HE2 GLN 43 6.573 12.102 -2.215 283 HE22 GLN 43 2HE2 GLN 43 7.483 13.053 -3.342 284 H GLY 44 H GLY 44 0.929 15.275 -2.054 285 HA2 GLY 44 HA1 GLY 44 0.585 17.975 -1.351 286 HA3 GLY 44 HA2 GLY 44 -0.566 17.005 -2.259 287 H ALA 45 H ALA 45 -0.986 15.058 -0.186 288 HA ALA 45 HA ALA 45 -3.013 16.418 1.306 289 HB1 ALA 45 HB1 ALA 45 -3.530 14.236 2.231 290 HB2 ALA 45 HB2 ALA 45 -3.304 14.122 0.485 291 HB3 ALA 45 HB3 ALA 45 -2.027 13.584 1.578 292 H GLY 46 H GLY 46 0.297 15.812 1.838 293 HA2 GLY 46 HA1 GLY 46 1.376 17.063 3.589 294 HA3 GLY 46 HA2 GLY 46 -0.039 16.796 4.593 295 H PHE 47 H PHE 47 0.929 14.019 2.872 296 HA PHE 47 HA PHE 47 1.695 12.717 5.323 297 HB2 PHE 47 HB2 PHE 47 1.856 11.679 2.487 298 HB3 PHE 47 HB3 PHE 47 2.067 10.717 3.937 299 HD1 PHE 47 HD1 PHE 47 -0.510 12.971 4.635 300 HD2 PHE 47 HD2 PHE 47 0.337 9.460 2.391 301 HE1 PHE 47 HE1 PHE 47 -2.907 12.419 4.589 302 HE2 PHE 47 HE2 PHE 47 -2.053 8.898 2.332 303 HZ PHE 47 HZ PHE 47 -3.679 10.389 3.433 304 H THR 48 H THR 48 3.702 11.771 5.764 305 HA THR 48 HA THR 48 5.984 13.118 4.575 306 HB THR 48 HB THR 48 5.936 11.060 6.795 307 HG1 THR 48 HG1 THR 48 4.878 12.730 7.700 308 HG21 THR 48 3HG2 THR 48 8.125 11.342 5.730 309 HG22 THR 48 1HG2 THR 48 8.129 11.993 7.369 310 HG23 THR 48 2HG2 THR 48 8.029 13.085 5.988 311 H VAL 49 H VAL 49 6.538 12.285 2.647 312 HA VAL 49 HA VAL 49 6.288 9.397 2.227 313 HB VAL 49 HB VAL 49 6.771 11.591 0.203 314 HG11 VAL 49 2HG1 VAL 49 7.675 9.465 -0.549 315 HG12 VAL 49 1HG1 VAL 49 6.220 9.864 -1.464 316 HG13 VAL 49 3HG1 VAL 49 6.151 8.661 -0.175 317 HG21 VAL 49 3HG2 VAL 49 4.435 11.198 -0.457 318 HG22 VAL 49 2HG2 VAL 49 4.564 11.776 1.205 319 HG23 VAL 49 1HG2 VAL 49 4.256 10.070 0.887 320 H ASN 50 H ASN 50 8.023 8.229 2.574 321 HA ASN 50 HA ASN 50 10.631 9.240 1.682 322 HB2 ASN 50 HB2 ASN 50 10.194 7.259 3.939 323 HB3 ASN 50 HB3 ASN 50 11.702 8.033 3.482 324 HD21 ASN 50 1HD2 ASN 50 10.277 7.884 6.020 325 HD22 ASN 50 2HD2 ASN 50 10.078 9.530 6.532 326 H HIS 51 H HIS 51 11.716 6.554 2.270 327 HA HIS 51 HA HIS 51 10.076 4.720 0.814 328 HB2 HIS 51 HB2 HIS 51 11.829 4.184 -0.922 329 HB3 HIS 51 HB3 HIS 51 11.041 5.738 -1.126 330 HD1 HIS 51 HD1 HIS 51 13.285 6.035 -2.677 331 HD2 HIS 51 HD2 HIS 51 13.797 6.121 1.450 332 HE1 HIS 51 HE1 HIS 51 15.518 7.120 -2.286 333 HE2 HIS 51 HE2 HIS 51 15.727 7.312 0.216 334 H THR 52 H THR 52 10.278 3.889 2.952 335 HA THR 52 HA THR 52 12.282 1.835 3.123 336 HB THR 52 HB THR 52 12.081 3.900 5.345 337 HG1 THR 52 HG1 THR 52 13.670 3.733 3.136 338 HG21 THR 52 3HG2 THR 52 12.462 1.651 6.208 339 HG22 THR 52 1HG2 THR 52 13.927 2.619 6.368 340 HG23 THR 52 2HG2 THR 52 13.798 1.421 5.080 341 HA PRO 53 HA PRO 53 8.128 0.530 4.483 342 HB2 PRO 53 HB2 PRO 53 8.601 -2.137 4.062 343 HB3 PRO 53 HB3 PRO 53 8.069 -1.019 2.799 344 HG2 PRO 53 HG2 PRO 53 10.830 -1.993 3.427 345 HG3 PRO 53 HG3 PRO 53 10.040 -1.814 1.849 346 HD2 PRO 53 HD2 PRO 53 11.794 -0.001 2.750 347 HD3 PRO 53 HD3 PRO 53 10.365 0.471 1.801 348 H SER 54 H SER 54 7.369 -0.405 6.308 349 HA SER 54 HA SER 54 8.828 -2.089 8.042 350 HB2 SER 54 HB2 SER 54 9.948 0.115 8.540 351 HB3 SER 54 HB3 SER 54 8.380 0.744 9.043 352 HG SER 54 HG SER 54 9.038 0.007 10.921 353 H LYS 55 H LYS 55 7.460 -2.250 10.193 354 HA LYS 55 HA LYS 55 4.918 -3.075 9.490 355 HB2 LYS 55 HB2 LYS 55 6.046 -3.775 11.559 356 HB3 LYS 55 HB3 LYS 55 5.858 -2.157 12.220 357 HG2 LYS 55 HG2 LYS 55 3.355 -2.495 11.924 358 HG3 LYS 55 HG3 LYS 55 3.731 -4.194 11.649 359 HD2 LYS 55 HD2 LYS 55 4.382 -2.597 14.125 360 HD3 LYS 55 HD3 LYS 55 3.117 -3.815 13.969 361 HE2 LYS 55 HE2 LYS 55 4.897 -5.480 13.433 362 HE3 LYS 55 HE3 LYS 55 6.095 -4.240 13.808 363 HZ1 LYS 55 HZ1 LYS 55 4.088 -5.409 15.659 364 HZ2 LYS 55 HZ2 LYS 55 5.062 -4.079 16.045 365 HZ3 LYS 55 HZ3 LYS 55 5.775 -5.588 15.734 366 H GLY 56 H GLY 56 3.259 -1.917 8.750 367 HA2 GLY 56 HA1 GLY 56 1.444 -0.440 9.195 368 HA3 GLY 56 HA2 GLY 56 2.509 0.515 10.216 369 H ALA 57 H ALA 57 4.338 -0.134 7.631 370 HA ALA 57 HA ALA 57 3.718 2.427 6.377 371 HB1 ALA 57 HB1 ALA 57 6.035 2.059 6.883 372 HB2 ALA 57 HB2 ALA 57 6.017 0.518 6.023 373 HB3 ALA 57 HB3 ALA 57 5.829 2.024 5.129 374 H ILE 58 H ILE 58 4.487 2.104 3.816 375 HA ILE 58 HA ILE 58 2.827 -0.057 2.740 376 HB ILE 58 HB ILE 58 2.763 2.458 1.219 377 HG12 ILE 58 2HG1 ILE 58 2.431 3.104 3.686 378 HG13 ILE 58 3HG1 ILE 58 1.184 3.579 2.552 379 HG21 ILE 58 2HG2 ILE 58 0.693 0.397 1.977 380 HG22 ILE 58 1HG2 ILE 58 1.634 0.418 0.489 381 HG23 ILE 58 3HG2 ILE 58 0.468 1.700 0.812 382 HD11 ILE 58 3HD1 ILE 58 0.235 2.777 4.629 383 HD12 ILE 58 2HD1 ILE 58 1.053 1.230 4.417 384 HD13 ILE 58 1HD1 ILE 58 -0.207 1.725 3.285 385 H LEU 59 H LEU 59 3.121 0.327 0.110 386 HA LEU 59 HA LEU 59 5.997 0.574 -0.435 387 HB2 LEU 59 HB2 LEU 59 4.959 -1.838 -0.237 388 HB3 LEU 59 HB3 LEU 59 4.305 -1.470 -1.822 389 HG LEU 59 HG LEU 59 6.725 -0.952 -2.498 390 HD11 LEU 59 2HD1 LEU 59 8.418 -2.155 -1.181 391 HD12 LEU 59 1HD1 LEU 59 7.199 -2.498 0.045 392 HD13 LEU 59 3HD1 LEU 59 7.676 -0.832 -0.283 393 HD21 LEU 59 3HD2 LEU 59 5.906 -3.770 -1.818 394 HD22 LEU 59 2HD2 LEU 59 7.151 -3.303 -2.976 395 HD23 LEU 59 1HD2 LEU 59 5.466 -2.882 -3.277 396 H GLN 60 H GLN 60 6.340 0.845 -2.875 397 HA GLN 60 HA GLN 60 4.060 1.662 -4.424 398 HB2 GLN 60 HB2 GLN 60 4.233 3.718 -3.288 399 HB3 GLN 60 HB3 GLN 60 5.988 3.682 -3.305 400 HG2 GLN 60 HG2 GLN 60 5.230 5.357 -4.820 401 HG3 GLN 60 HG3 GLN 60 5.943 4.034 -5.747 402 HE21 GLN 60 1HE2 GLN 60 4.087 6.078 -6.615 403 HE22 GLN 60 2HE2 GLN 60 2.670 5.269 -7.173 404 H SER 61 H SER 61 4.373 1.362 -6.480 405 HA SER 61 HA SER 61 7.056 1.652 -7.614 406 HB2 SER 61 HB2 SER 61 6.573 -0.781 -7.403 407 HB3 SER 61 HB3 SER 61 5.106 -0.555 -8.353 408 HG SER 61 HG SER 61 7.360 -1.182 -9.339 409 H SER 62 H SER 62 7.056 2.683 -9.604 410 HA SER 62 HA SER 62 4.811 4.378 -10.031 411 HB2 SER 62 HB2 SER 62 7.269 4.037 -11.760 412 HB3 SER 62 HB3 SER 62 6.162 5.409 -11.770 413 HG SER 62 HG SER 62 7.386 6.219 -10.272 414 H GLU 63 H GLU 63 5.666 1.309 -11.287 415 HA GLU 63 HA GLU 63 4.082 1.763 -13.710 416 HB2 GLU 63 HB2 GLU 63 5.111 -0.382 -14.494 417 HB3 GLU 63 HB3 GLU 63 6.240 0.941 -14.240 418 HG2 GLU 63 HG2 GLU 63 6.832 -0.035 -12.051 419 HG3 GLU 63 HG3 GLU 63 5.769 -1.398 -12.409 420 H GLY 64 H GLY 64 3.203 -0.619 -14.432 421 HA2 GLY 64 HA1 GLY 64 1.957 -2.527 -13.513 422 HA3 GLY 64 HA2 GLY 64 1.460 -1.460 -12.203 423 HA PRO 65 HA PRO 65 -1.863 -1.190 -15.415 424 HB2 PRO 65 HB2 PRO 65 -3.953 -1.652 -13.778 425 HB3 PRO 65 HB3 PRO 65 -3.015 -2.970 -14.492 426 HG2 PRO 65 HG2 PRO 65 -2.861 -1.811 -11.737 427 HG3 PRO 65 HG3 PRO 65 -2.805 -3.509 -12.242 428 HD2 PRO 65 HD2 PRO 65 -0.585 -2.034 -11.617 429 HD3 PRO 65 HD3 PRO 65 -0.567 -3.415 -12.734 430 H PHE 66 H PHE 66 -1.505 0.032 -12.180 431 HA PHE 66 HA PHE 66 -1.863 2.731 -12.951 432 HB2 PHE 66 HB2 PHE 66 -3.827 3.201 -11.461 433 HB3 PHE 66 HB3 PHE 66 -4.224 2.271 -12.898 434 HD1 PHE 66 HD1 PHE 66 -4.841 -0.072 -12.722 435 HD2 PHE 66 HD2 PHE 66 -4.010 2.252 -9.270 436 HE1 PHE 66 HE1 PHE 66 -5.927 -1.780 -11.319 437 HE2 PHE 66 HE2 PHE 66 -5.094 0.558 -7.854 438 HZ PHE 66 HZ PHE 66 -6.053 -1.465 -8.878 439 H GLY 67 H GLY 67 0.060 1.046 -11.676 440 HA2 GLY 67 HA1 GLY 67 1.658 1.955 -10.116 441 HA3 GLY 67 HA2 GLY 67 0.311 2.513 -9.134 442 H HIS 68 H HIS 68 2.081 1.253 -7.722 443 HA HIS 68 HA HIS 68 0.812 -1.316 -7.112 444 HB2 HIS 68 HB2 HIS 68 2.849 -1.711 -8.578 445 HB3 HIS 68 HB3 HIS 68 3.814 -1.019 -7.272 446 HD1 HIS 68 HD1 HIS 68 4.274 -3.919 -8.214 447 HD2 HIS 68 HD2 HIS 68 1.768 -2.859 -5.065 448 HE1 HIS 68 HE1 HIS 68 4.088 -5.970 -6.769 449 HE2 HIS 68 HE2 HIS 68 2.348 -5.380 -5.032 450 H VAL 69 H VAL 69 -0.011 -0.393 -5.150 451 HA VAL 69 HA VAL 69 2.143 0.151 -3.224 452 HB VAL 69 HB VAL 69 0.559 1.487 -1.914 453 HG11 VAL 69 2HG1 VAL 69 0.854 2.334 -4.792 454 HG12 VAL 69 1HG1 VAL 69 2.036 2.575 -3.504 455 HG13 VAL 69 3HG1 VAL 69 0.482 3.409 -3.445 456 HG21 VAL 69 3HG2 VAL 69 -1.315 1.038 -4.238 457 HG22 VAL 69 2HG2 VAL 69 -1.576 2.196 -2.931 458 HG23 VAL 69 1HG2 VAL 69 -1.540 0.468 -2.584 459 H ALA 70 H ALA 70 2.404 -1.249 -1.687 460 HA ALA 70 HA ALA 70 0.185 -3.052 -0.985 461 HB1 ALA 70 HB1 ALA 70 3.113 -3.741 -1.217 462 HB2 ALA 70 HB2 ALA 70 1.845 -4.827 -0.647 463 HB3 ALA 70 HB3 ALA 70 1.829 -4.253 -2.313 464 H TYR 71 H TYR 71 -0.217 -3.271 1.150 465 HA TYR 71 HA TYR 71 1.035 -1.394 2.900 466 HB2 TYR 71 HB2 TYR 71 -1.294 -1.713 3.216 467 HB3 TYR 71 HB3 TYR 71 -1.115 -3.469 3.305 468 HD1 TYR 71 HD1 TYR 71 -0.500 -0.305 5.113 469 HD2 TYR 71 HD2 TYR 71 -0.585 -4.553 5.356 470 HE1 TYR 71 HE1 TYR 71 -0.329 -0.162 7.561 471 HE2 TYR 71 HE2 TYR 71 -0.416 -4.418 7.809 472 HH TYR 71 HH TYR 71 -0.759 -1.413 9.516 473 H VAL 72 H VAL 72 2.546 -1.698 4.392 474 HA VAL 72 HA VAL 72 3.988 -4.227 4.346 475 HB VAL 72 HB VAL 72 4.703 -1.667 5.777 476 HG11 VAL 72 2HG1 VAL 72 7.007 -2.614 5.634 477 HG12 VAL 72 1HG1 VAL 72 6.293 -4.120 5.051 478 HG13 VAL 72 3HG1 VAL 72 5.900 -3.522 6.668 479 HG21 VAL 72 3HG2 VAL 72 6.143 -1.145 3.870 480 HG22 VAL 72 2HG2 VAL 72 4.447 -1.224 3.389 481 HG23 VAL 72 1HG2 VAL 72 5.537 -2.568 3.017 482 H GLU 73 H GLU 73 3.731 -5.727 5.890 483 HA GLU 73 HA GLU 73 2.407 -4.935 8.368 484 HB2 GLU 73 HB2 GLU 73 3.009 -7.665 7.225 485 HB3 GLU 73 HB3 GLU 73 2.276 -7.402 8.800 486 HG2 GLU 73 HG2 GLU 73 0.502 -6.053 7.509 487 HG3 GLU 73 HG3 GLU 73 1.142 -6.867 6.084 488 H SER 74 H SER 74 5.493 -6.075 7.173 489 HA SER 74 HA SER 74 6.878 -5.185 9.451 490 HB2 SER 74 HB2 SER 74 7.638 -7.429 10.302 491 HB3 SER 74 HB3 SER 74 5.941 -7.069 10.624 492 HG SER 74 HG SER 74 7.069 -9.008 9.013 493 H VAL 75 H VAL 75 9.075 -5.145 9.119 494 HA VAL 75 HA VAL 75 10.077 -6.384 6.662 495 HB VAL 75 HB VAL 75 10.733 -4.051 6.988 496 HG11 VAL 75 2HG1 VAL 75 12.100 -4.967 9.516 497 HG12 VAL 75 1HG1 VAL 75 10.643 -3.976 9.432 498 HG13 VAL 75 3HG1 VAL 75 12.173 -3.347 8.817 499 HG21 VAL 75 3HG2 VAL 75 13.159 -4.278 6.738 500 HG22 VAL 75 2HG2 VAL 75 12.296 -5.513 5.821 501 HG23 VAL 75 1HG2 VAL 75 13.069 -5.929 7.352 502 H ASN 76 H ASN 76 11.480 -8.093 6.676 503 HA ASN 76 HA ASN 76 11.536 -9.557 9.181 504 HB2 ASN 76 HB2 ASN 76 12.497 -10.443 6.453 505 HB3 ASN 76 HB3 ASN 76 12.245 -11.470 7.859 506 HD21 ASN 76 1HD2 ASN 76 11.090 -11.742 5.263 507 HD22 ASN 76 2HD2 ASN 76 9.370 -11.616 5.455 508 H SER 77 H SER 77 13.587 -10.894 9.574 509 HA SER 77 HA SER 77 15.689 -9.046 10.080 510 HB2 SER 77 HB2 SER 77 16.825 -11.250 10.895 511 HB3 SER 77 HB3 SER 77 15.420 -10.629 11.763 512 HG SER 77 HG SER 77 15.670 -12.879 10.130 513 H ASP 78 H ASP 78 14.964 -10.916 7.370 514 HA ASP 78 HA ASP 78 17.729 -11.276 6.534 515 HB2 ASP 78 HB2 ASP 78 15.143 -11.819 5.054 516 HB3 ASP 78 HB3 ASP 78 16.751 -12.221 4.463 517 H GLY 79 H GLY 79 15.768 -8.703 6.703 518 HA2 GLY 79 HA1 GLY 79 16.121 -6.588 5.743 519 HA3 GLY 79 HA2 GLY 79 17.062 -7.348 4.464 520 H SER 80 H SER 80 14.847 -9.379 4.241 521 HA SER 80 HA SER 80 13.371 -8.123 2.171 522 HB2 SER 80 HB2 SER 80 12.807 -10.762 3.546 523 HB3 SER 80 HB3 SER 80 12.257 -10.264 1.946 524 HG SER 80 HG SER 80 14.768 -9.968 1.733 525 H VAL 81 H VAL 81 11.173 -7.599 2.116 526 HA VAL 81 HA VAL 81 10.052 -7.023 4.777 527 HB VAL 81 HB VAL 81 9.576 -5.563 2.174 528 HG11 VAL 81 2HG1 VAL 81 7.639 -5.471 3.635 529 HG12 VAL 81 1HG1 VAL 81 8.439 -3.901 3.570 530 HG13 VAL 81 3HG1 VAL 81 8.657 -4.941 4.976 531 HG21 VAL 81 3HG2 VAL 81 11.825 -5.193 2.989 532 HG22 VAL 81 2HG2 VAL 81 11.208 -4.815 4.599 533 HG23 VAL 81 1HG2 VAL 81 10.853 -3.744 3.242 534 H THR 82 H THR 82 8.155 -7.858 5.326 535 HA THR 82 HA THR 82 6.702 -9.473 3.389 536 HB THR 82 HB THR 82 6.246 -9.106 6.363 537 HG1 THR 82 HG1 THR 82 7.981 -10.347 6.398 538 HG21 THR 82 3HG2 THR 82 4.846 -11.117 6.179 539 HG22 THR 82 1HG2 THR 82 5.090 -11.125 4.432 540 HG23 THR 82 2HG2 THR 82 4.209 -9.800 5.195 541 H ILE 83 H ILE 83 5.173 -8.536 2.213 542 HA ILE 83 HA ILE 83 3.594 -6.355 3.417 543 HB ILE 83 HB ILE 83 3.297 -5.450 1.121 544 HG12 ILE 83 2HG1 ILE 83 5.465 -7.427 0.381 545 HG13 ILE 83 3HG1 ILE 83 3.775 -7.577 -0.077 546 HG21 ILE 83 2HG2 ILE 83 5.534 -4.460 0.931 547 HG22 ILE 83 1HG2 ILE 83 6.150 -5.666 2.062 548 HG23 ILE 83 3HG2 ILE 83 4.958 -4.484 2.597 549 HD11 ILE 83 3HD1 ILE 83 5.633 -5.365 -0.907 550 HD12 ILE 83 2HD1 ILE 83 3.938 -5.517 -1.367 551 HD13 ILE 83 1HD1 ILE 83 5.110 -6.720 -1.905 552 H SER 84 H SER 84 1.387 -6.277 2.899 553 HA SER 84 HA SER 84 0.331 -8.555 1.392 554 HB2 SER 84 HB2 SER 84 0.010 -9.227 3.669 555 HB3 SER 84 HB3 SER 84 -0.638 -7.646 4.116 556 HG SER 84 HG SER 84 -1.848 -9.811 2.935 557 H GLU 85 H GLU 85 -0.271 -7.484 -0.337 558 HA GLU 85 HA GLU 85 -2.206 -5.293 -0.039 559 HB2 GLU 85 HB2 GLU 85 -1.755 -4.800 -2.402 560 HB3 GLU 85 HB3 GLU 85 -0.253 -4.806 -1.484 561 HG2 GLU 85 HG2 GLU 85 0.131 -7.135 -2.253 562 HG3 GLU 85 HG3 GLU 85 -1.290 -6.982 -3.281 563 H MET 86 H MET 86 -4.096 -5.448 -1.551 564 HA MET 86 HA MET 86 -4.788 -8.269 -2.040 565 HB2 MET 86 HB2 MET 86 -6.075 -7.389 -0.161 566 HB3 MET 86 HB3 MET 86 -6.603 -6.031 -1.140 567 HG2 MET 86 HG2 MET 86 -7.872 -7.465 -2.565 568 HG3 MET 86 HG3 MET 86 -7.234 -8.897 -1.761 569 HE1 MET 86 HE1 MET 86 -7.342 -8.413 1.253 570 HE2 MET 86 HE2 MET 86 -8.985 -8.908 1.663 571 HE3 MET 86 HE3 MET 86 -8.052 -9.835 0.486 572 H ASN 87 H ASN 87 -5.658 -8.757 -3.984 573 HA ASN 87 HA ASN 87 -6.366 -8.566 -6.108 574 HB2 ASN 87 HB2 ASN 87 -8.097 -7.151 -6.061 575 HB3 ASN 87 HB3 ASN 87 -7.303 -6.074 -4.927 576 HD21 ASN 87 1HD2 ASN 87 -7.692 -6.866 -8.320 577 HD22 ASN 87 2HD2 ASN 87 -7.260 -5.289 -8.912 578 H TYR 88 H TYR 88 -4.660 -5.469 -5.519 579 HA TYR 88 HA TYR 88 -2.993 -4.434 -6.647 580 HB2 TYR 88 HB2 TYR 88 -1.531 -6.170 -5.889 581 HB3 TYR 88 HB3 TYR 88 -2.114 -7.287 -7.118 582 HD1 TYR 88 HD2 TYR 88 -0.992 -3.732 -7.398 583 HD2 TYR 88 HD1 TYR 88 -0.301 -7.790 -8.480 584 HE1 TYR 88 HE2 TYR 88 0.801 -3.017 -8.922 585 HE2 TYR 88 HE1 TYR 88 1.494 -7.083 -10.005 586 HH TYR 88 HH TYR 88 2.201 -5.107 -11.235 587 H SER 89 H SER 89 -3.539 -7.249 -8.765 588 HA SER 89 HA SER 89 -4.592 -5.554 -10.861 589 HB2 SER 89 HB2 SER 89 -2.043 -7.124 -11.320 590 HB3 SER 89 HB3 SER 89 -2.882 -6.109 -12.494 591 HG SER 89 HG SER 89 -2.448 -4.604 -10.384 592 H GLY 90 H GLY 90 -5.824 -6.691 -12.321 593 HA2 GLY 90 HA1 GLY 90 -6.324 -8.649 -13.592 594 HA3 GLY 90 HA2 GLY 90 -5.592 -9.620 -12.324 595 H GLY 91 H GLY 91 -6.756 -9.644 -10.209 596 HA2 GLY 91 HA1 GLY 91 -9.670 -9.474 -10.669 597 HA3 GLY 91 HA2 GLY 91 -8.933 -10.886 -9.924 598 HA PRO 92 HA PRO 92 -9.821 -7.651 -6.626 599 HB2 PRO 92 HB2 PRO 92 -12.428 -8.697 -6.041 600 HB3 PRO 92 HB3 PRO 92 -12.008 -7.087 -6.626 601 HG2 PRO 92 HG2 PRO 92 -13.401 -8.962 -8.085 602 HG3 PRO 92 HG3 PRO 92 -12.482 -7.620 -8.790 603 HD2 PRO 92 HD2 PRO 92 -11.713 -10.497 -8.481 604 HD3 PRO 92 HD3 PRO 92 -11.399 -9.382 -9.829 605 H PHE 93 H PHE 93 -9.360 -8.130 -4.562 606 HA PHE 93 HA PHE 93 -9.120 -9.197 -2.597 607 HB2 PHE 93 HB2 PHE 93 -11.010 -11.216 -3.780 608 HB3 PHE 93 HB3 PHE 93 -10.341 -11.332 -2.153 609 HD1 PHE 93 HD2 PHE 93 -11.039 -9.809 -0.411 610 HD2 PHE 93 HD1 PHE 93 -12.670 -9.557 -4.331 611 HE1 PHE 93 HE2 PHE 93 -12.858 -8.392 0.442 612 HE2 PHE 93 HE1 PHE 93 -14.495 -8.138 -3.486 613 HZ PHE 93 HZ PHE 93 -14.591 -7.557 -1.092 614 H SER 94 H SER 94 -7.827 -10.332 -5.419 615 HA SER 94 HA SER 94 -6.556 -12.677 -4.421 616 HB2 SER 94 HB2 SER 94 -4.801 -12.037 -6.242 617 HB3 SER 94 HB3 SER 94 -6.426 -12.524 -6.754 618 HG SER 94 HG SER 94 -5.152 -10.133 -7.055 619 H VAL 95 H VAL 95 -5.788 -12.214 -2.352 620 HA VAL 95 HA VAL 95 -4.347 -9.902 -1.689 621 HB VAL 95 HB VAL 95 -3.807 -12.493 -0.265 622 HG11 VAL 95 2HG1 VAL 95 -3.727 -11.046 1.693 623 HG12 VAL 95 1HG1 VAL 95 -4.123 -9.654 0.685 624 HG13 VAL 95 3HG1 VAL 95 -2.602 -10.513 0.445 625 HG21 VAL 95 3HG2 VAL 95 -5.842 -12.175 1.063 626 HG22 VAL 95 2HG2 VAL 95 -6.222 -12.464 -0.634 627 HG23 VAL 95 1HG2 VAL 95 -6.311 -10.830 0.024 628 H SER 96 H SER 96 -2.605 -9.362 -2.852 629 HA SER 96 HA SER 96 -0.843 -11.310 -3.978 630 HB2 SER 96 HB2 SER 96 -1.255 -9.327 -5.259 631 HB3 SER 96 HB3 SER 96 -0.798 -8.289 -3.913 632 HG SER 96 HG SER 96 1.174 -8.395 -4.579 633 H SER 97 H SER 97 -0.080 -12.408 -2.218 634 HA SER 97 HA SER 97 1.371 -11.076 -0.118 635 HB2 SER 97 HB2 SER 97 1.307 -14.019 -0.822 636 HB3 SER 97 HB3 SER 97 1.850 -13.318 0.703 637 HG SER 97 HG SER 97 -0.544 -12.367 0.350 638 H ARG 98 H ARG 98 3.202 -10.060 -0.694 639 HA ARG 98 HA ARG 98 5.182 -11.611 -2.229 640 HB2 ARG 98 HB2 ARG 98 4.642 -8.639 -2.343 641 HB3 ARG 98 HB3 ARG 98 6.057 -9.402 -3.047 642 HG2 ARG 98 HG2 ARG 98 4.529 -10.769 -4.464 643 HG3 ARG 98 HG3 ARG 98 3.186 -9.806 -3.841 644 HD2 ARG 98 HD2 ARG 98 4.267 -7.772 -4.702 645 HD3 ARG 98 HD3 ARG 98 5.578 -8.756 -5.351 646 HE ARG 98 HE ARG 98 2.879 -9.389 -6.245 647 HH11 ARG 98 2HH1 ARG 98 5.963 -7.868 -6.964 648 HH12 ARG 98 1HH1 ARG 98 5.652 -7.779 -8.677 649 HH21 ARG 98 2HH2 ARG 98 2.469 -9.254 -8.475 650 HH22 ARG 98 1HH2 ARG 98 3.661 -8.560 -9.536 651 H THR 99 H THR 99 7.380 -11.183 -1.739 652 HA THR 99 HA THR 99 7.842 -9.838 0.836 653 HB THR 99 HB THR 99 9.401 -12.221 -0.196 654 HG1 THR 99 HG1 THR 99 7.107 -12.018 1.439 655 HG21 THR 99 3HG2 THR 99 9.311 -10.902 2.526 656 HG22 THR 99 1HG2 THR 99 10.627 -10.767 1.360 657 HG23 THR 99 2HG2 THR 99 10.258 -12.326 2.096 658 H ILE 100 H ILE 100 8.871 -8.009 0.432 659 HA ILE 100 HA ILE 100 10.143 -7.519 -2.091 660 HB ILE 100 HB ILE 100 9.989 -5.782 0.377 661 HG12 ILE 100 2HG1 ILE 100 7.784 -6.253 -0.522 662 HG13 ILE 100 3HG1 ILE 100 8.228 -4.582 -0.889 663 HG21 ILE 100 2HG2 ILE 100 10.550 -3.928 -1.126 664 HG22 ILE 100 1HG2 ILE 100 10.790 -5.078 -2.441 665 HG23 ILE 100 3HG2 ILE 100 11.846 -5.118 -1.029 666 HD11 ILE 100 3HD1 ILE 100 8.808 -5.246 -3.168 667 HD12 ILE 100 2HD1 ILE 100 7.138 -5.661 -2.782 668 HD13 ILE 100 1HD1 ILE 100 8.378 -6.915 -2.795 669 H SER 101 H SER 101 12.220 -7.741 -2.595 670 HA SER 101 HA SER 101 14.187 -8.545 -0.701 671 HB2 SER 101 HB2 SER 101 14.595 -7.458 -3.500 672 HB3 SER 101 HB3 SER 101 15.722 -8.455 -2.578 673 HG SER 101 HG SER 101 14.624 -10.185 -3.088 674 H ALA 102 H ALA 102 15.738 -7.342 0.317 675 HA ALA 102 HA ALA 102 15.225 -4.745 1.072 676 HB1 ALA 102 HB1 ALA 102 17.493 -4.665 1.947 677 HB2 ALA 102 HB2 ALA 102 16.752 -6.234 2.264 678 HB3 ALA 102 HB3 ALA 102 17.934 -6.062 0.966 679 H SER 103 H SER 103 17.148 -5.845 -1.658 680 HA SER 103 HA SER 103 18.432 -3.521 -2.406 681 HB2 SER 103 HB2 SER 103 17.187 -5.502 -4.320 682 HB3 SER 103 HB3 SER 103 18.612 -4.497 -4.594 683 HG SER 103 HG SER 103 19.746 -6.030 -3.738 684 H GLU 104 H GLU 104 15.130 -4.567 -3.218 685 HA GLU 104 HA GLU 104 14.668 -2.031 -4.583 686 HB2 GLU 104 HB2 GLU 104 13.062 -4.566 -4.371 687 HB3 GLU 104 HB3 GLU 104 12.390 -3.091 -5.046 688 HG2 GLU 104 HG2 GLU 104 14.327 -3.083 -6.653 689 HG3 GLU 104 HG3 GLU 104 14.699 -4.706 -6.076 690 H ALA 105 H ALA 105 14.205 -3.445 -1.526 691 HA ALA 105 HA ALA 105 11.901 -2.061 -0.667 692 HB1 ALA 105 HB1 ALA 105 14.263 -2.972 0.980 693 HB2 ALA 105 HB2 ALA 105 12.672 -2.531 1.599 694 HB3 ALA 105 HB3 ALA 105 12.856 -3.952 0.571 695 H GLY 106 H GLY 106 15.314 -1.205 -0.787 696 HA2 GLY 106 HA1 GLY 106 14.998 1.314 0.535 697 HA3 GLY 106 HA2 GLY 106 16.388 0.805 -0.412 698 H ASN 107 H ASN 107 14.117 0.249 -2.533 699 HA ASN 107 HA ASN 107 14.402 2.863 -3.808 700 HB2 ASN 107 HB2 ASN 107 14.962 0.913 -5.175 701 HB3 ASN 107 HB3 ASN 107 13.368 0.221 -4.880 702 HD21 ASN 107 1HD2 ASN 107 11.538 1.211 -5.855 703 HD22 ASN 107 2HD2 ASN 107 11.700 2.250 -7.225 704 H TYR 108 H TYR 108 11.874 0.507 -3.013 705 HA TYR 108 HA TYR 108 9.734 1.922 -4.129 706 HB2 TYR 108 HB2 TYR 108 9.777 -0.127 -1.919 707 HB3 TYR 108 HB3 TYR 108 8.305 0.474 -2.674 708 HD1 TYR 108 HD2 TYR 108 9.282 0.595 -5.527 709 HD2 TYR 108 HD1 TYR 108 9.717 -2.385 -2.529 710 HE1 TYR 108 HE2 TYR 108 9.467 -1.126 -7.273 711 HE2 TYR 108 HE1 TYR 108 9.909 -4.110 -4.257 712 HH TYR 108 HH TYR 108 10.579 -3.517 -7.395 713 H ASN 109 H ASN 109 8.501 3.513 -3.479 714 HA ASN 109 HA ASN 109 9.223 5.004 -1.130 715 HB2 ASN 109 HB2 ASN 109 7.190 5.439 -3.320 716 HB3 ASN 109 HB3 ASN 109 7.286 6.500 -1.921 717 HD21 ASN 109 1HD2 ASN 109 7.749 7.015 -4.774 718 HD22 ASN 109 2HD2 ASN 109 9.345 7.678 -4.878 719 H TYR 110 H TYR 110 7.687 5.683 0.482 720 HA TYR 110 HA TYR 110 5.181 4.239 0.649 721 HB2 TYR 110 HB2 TYR 110 5.535 3.177 2.699 722 HB3 TYR 110 HB3 TYR 110 7.040 2.881 1.838 723 HD1 TYR 110 HD2 TYR 110 8.880 4.776 2.266 724 HD2 TYR 110 HD1 TYR 110 5.675 3.839 4.881 725 HE1 TYR 110 HE2 TYR 110 10.130 5.756 4.136 726 HE2 TYR 110 HE1 TYR 110 6.916 4.817 6.763 727 HH TYR 110 HH TYR 110 9.260 5.319 7.371 728 H ILE 111 H ILE 111 3.817 5.153 2.424 729 HA ILE 111 HA ILE 111 4.578 7.953 2.872 730 HB ILE 111 HB ILE 111 2.327 8.692 2.346 731 HG12 ILE 111 2HG1 ILE 111 1.755 5.825 1.570 732 HG13 ILE 111 3HG1 ILE 111 1.156 6.603 3.025 733 HG21 ILE 111 2HG2 ILE 111 2.323 8.275 -0.071 734 HG22 ILE 111 1HG2 ILE 111 3.471 6.955 0.156 735 HG23 ILE 111 3HG2 ILE 111 3.947 8.612 0.528 736 HD11 ILE 111 3HD1 ILE 111 0.505 7.360 0.186 737 HD12 ILE 111 2HD1 ILE 111 -0.059 8.220 1.621 738 HD13 ILE 111 1HD1 ILE 111 -0.563 6.555 1.337 739 H HIS 112 H HIS 112 4.295 8.640 4.899 740 HA HIS 112 HA HIS 112 2.273 7.330 6.554 741 HB2 HIS 112 HB2 HIS 112 3.786 7.105 8.456 742 HB3 HIS 112 HB3 HIS 112 4.392 6.188 7.087 743 HD1 HIS 112 HD1 HIS 112 5.256 8.872 9.443 744 HD2 HIS 112 HD2 HIS 112 6.769 7.323 5.866 745 HE1 HIS 112 HE1 HIS 112 7.596 9.762 9.250 746 HE2 HIS 112 HE2 HIS 112 8.551 8.638 7.213 747 H ILE 113 H ILE 113 1.248 8.721 7.958 748 HA ILE 113 HA ILE 113 1.273 11.429 7.293 749 HB ILE 113 HB ILE 113 -0.125 11.627 9.426 750 HG12 ILE 113 2HG1 ILE 113 0.036 8.616 9.267 751 HG13 ILE 113 3HG1 ILE 113 0.780 9.597 10.526 752 HG21 ILE 113 2HG2 ILE 113 -1.080 11.499 7.196 753 HG22 ILE 113 1HG2 ILE 113 -2.066 10.597 8.349 754 HG23 ILE 113 3HG2 ILE 113 -0.987 9.739 7.250 755 HD11 ILE 113 3HD1 ILE 113 -2.169 9.364 9.973 756 HD12 ILE 113 2HD1 ILE 113 -1.432 10.356 11.231 757 HD13 ILE 113 1HD1 ILE 113 -1.288 8.599 11.297 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 -19.821 8.060 15.455 2 H2 GLY 1 H2 GLY 1 -21.136 6.995 15.390 3 H3 GLY 1 H3 GLY 1 -21.393 8.636 15.728 4 HA2 GLY 1 HA2 GLY 1 -22.006 8.098 13.449 5 HA3 GLY 1 HA1 GLY 1 -20.679 9.252 13.522 6 H SER 2 H SER 2 -21.589 7.074 11.553 7 HA SER 2 HA SER 2 -19.508 5.130 11.516 8 HB2 SER 2 HB2 SER 2 -21.315 6.024 9.257 9 HB3 SER 2 HB3 SER 2 -20.386 4.526 9.321 10 HG SER 2 HG SER 2 -22.675 5.273 10.781 11 H SER 3 H SER 3 -19.830 8.361 10.330 12 HA SER 3 HA SER 3 -17.021 8.298 9.544 13 HB2 SER 3 HB2 SER 3 -18.556 8.004 7.495 14 HB3 SER 3 HB3 SER 3 -19.043 9.676 7.775 15 HG SER 3 HG SER 3 -16.540 8.643 7.015 16 H ILE 4 H ILE 4 -16.373 9.563 11.178 17 HA ILE 4 HA ILE 4 -17.115 12.360 11.093 18 HB ILE 4 HB ILE 4 -18.745 11.643 12.690 19 HG12 ILE 4 2HG1 ILE 4 -16.374 12.809 14.164 20 HG13 ILE 4 3HG1 ILE 4 -17.547 13.725 13.226 21 HG21 ILE 4 2HG2 ILE 4 -17.810 9.471 13.256 22 HG22 ILE 4 1HG2 ILE 4 -18.194 10.385 14.714 23 HG23 ILE 4 3HG2 ILE 4 -16.520 10.251 14.173 24 HD11 ILE 4 3HD1 ILE 4 -18.132 12.144 15.718 25 HD12 ILE 4 2HD1 ILE 4 -19.305 13.073 14.784 26 HD13 ILE 4 1HD1 ILE 4 -17.981 13.898 15.609 27 H SER 5 H SER 5 -15.254 9.828 12.704 28 HA SER 5 HA SER 5 -12.990 11.633 13.032 29 HB2 SER 5 HB2 SER 5 -13.342 8.727 13.827 30 HB3 SER 5 HB3 SER 5 -11.979 9.757 14.266 31 HG SER 5 HG SER 5 -13.144 10.678 15.761 32 H HIS 6 H HIS 6 -11.471 8.861 12.709 33 HA HIS 6 HA HIS 6 -10.550 9.309 10.065 34 HB2 HIS 6 HB2 HIS 6 -10.253 6.815 11.760 35 HB3 HIS 6 HB3 HIS 6 -9.294 7.224 10.342 36 HD1 HIS 6 HD1 HIS 6 -7.844 9.542 10.643 37 HD2 HIS 6 HD2 HIS 6 -9.158 7.634 14.099 38 HE1 HIS 6 HE1 HIS 6 -6.459 10.491 12.517 39 HE2 HIS 6 HE2 HIS 6 -7.143 9.191 14.559 40 H SER 7 H SER 7 -11.617 8.853 8.252 41 HA SER 7 HA SER 7 -14.064 7.529 8.163 42 HB2 SER 7 HB2 SER 7 -13.258 7.413 5.578 43 HB3 SER 7 HB3 SER 7 -13.888 8.875 6.342 44 HG SER 7 HG SER 7 -11.359 8.317 5.440 45 H GLY 8 H GLY 8 -14.686 5.485 7.845 46 HA2 GLY 8 HA1 GLY 8 -12.986 3.396 8.565 47 HA3 GLY 8 HA2 GLY 8 -14.565 3.196 7.822 48 H ASN 9 H ASN 9 -14.604 3.491 5.395 49 HA ASN 9 HA ASN 9 -12.098 3.196 4.028 50 HB2 ASN 9 HB2 ASN 9 -12.860 0.846 4.904 51 HB3 ASN 9 HB3 ASN 9 -13.994 0.929 3.559 52 HD21 ASN 9 1HD2 ASN 9 -13.133 1.175 1.428 53 HD22 ASN 9 2HD2 ASN 9 -11.554 0.583 1.068 54 H LEU 10 H LEU 10 -12.234 4.037 2.038 55 HA LEU 10 HA LEU 10 -14.899 4.954 1.229 56 HB2 LEU 10 HB2 LEU 10 -12.175 5.942 0.426 57 HB3 LEU 10 HB3 LEU 10 -13.703 6.664 -0.049 58 HG LEU 10 HG LEU 10 -12.613 6.530 2.765 59 HD11 LEU 10 2HD1 LEU 10 -12.457 8.972 2.536 60 HD12 LEU 10 1HD1 LEU 10 -12.946 8.831 0.847 61 HD13 LEU 10 3HD1 LEU 10 -11.422 8.125 1.385 62 HD21 LEU 10 3HD2 LEU 10 -15.050 6.371 2.730 63 HD22 LEU 10 2HD2 LEU 10 -15.134 7.806 1.709 64 HD23 LEU 10 1HD2 LEU 10 -14.524 7.932 3.359 65 H TYR 11 H TYR 11 -12.060 3.285 -0.070 66 HA TYR 11 HA TYR 11 -12.807 3.706 -2.775 67 HB2 TYR 11 HB2 TYR 11 -10.461 3.207 -1.720 68 HB3 TYR 11 HB3 TYR 11 -10.909 1.527 -1.998 69 HD1 TYR 11 HD1 TYR 11 -11.006 4.768 -3.857 70 HD2 TYR 11 HD2 TYR 11 -10.162 0.601 -3.993 71 HE1 TYR 11 HE1 TYR 11 -10.312 4.993 -6.204 72 HE2 TYR 11 HE2 TYR 11 -9.462 0.816 -6.342 73 HH TYR 11 HH TYR 11 -9.786 2.280 -8.239 74 H THR 12 H THR 12 -12.577 1.528 -4.189 75 HA THR 12 HA THR 12 -15.127 0.606 -4.439 76 HB THR 12 HB THR 12 -12.813 -1.097 -5.297 77 HG1 THR 12 HG1 THR 12 -13.250 0.881 -7.068 78 HG21 THR 12 3HG2 THR 12 -14.092 -1.285 -7.362 79 HG22 THR 12 1HG2 THR 12 -15.310 -0.176 -6.727 80 HG23 THR 12 2HG2 THR 12 -15.078 -1.756 -5.977 81 H ALA 13 H ALA 13 -12.957 -2.069 -4.223 82 HA ALA 13 HA ALA 13 -13.580 -3.124 -1.717 83 HB1 ALA 13 HB1 ALA 13 -15.876 -3.257 -2.567 84 HB2 ALA 13 HB2 ALA 13 -15.309 -4.193 -3.951 85 HB3 ALA 13 HB3 ALA 13 -15.193 -4.865 -2.324 86 H GLY 14 H GLY 14 -12.073 -4.619 -1.348 87 HA2 GLY 14 HA1 GLY 14 -10.632 -6.378 -1.687 88 HA3 GLY 14 HA2 GLY 14 -11.393 -6.639 -3.248 89 H GLN 15 H GLN 15 -10.546 -3.514 -3.376 90 HA GLN 15 HA GLN 15 -8.491 -3.974 -5.270 91 HB2 GLN 15 HB2 GLN 15 -9.387 -1.429 -3.903 92 HB3 GLN 15 HB3 GLN 15 -8.260 -1.485 -5.251 93 HG2 GLN 15 HG2 GLN 15 -10.950 -2.741 -5.522 94 HG3 GLN 15 HG3 GLN 15 -10.778 -0.993 -5.663 95 HE21 GLN 15 1HE2 GLN 15 -9.936 -4.075 -7.046 96 HE22 GLN 15 2HE2 GLN 15 -9.491 -3.474 -8.601 97 H CYS 16 H CYS 16 -6.308 -3.023 -5.196 98 HA CYS 16 HA CYS 16 -4.863 -3.850 -2.919 99 HB2 CYS 16 HB2 CYS 16 -2.966 -2.545 -4.067 100 HB3 CYS 16 HB3 CYS 16 -3.680 -3.889 -4.954 101 HG CYS 16 HG CYS 16 -3.417 -2.175 -6.962 102 H THR 17 H THR 17 -5.778 -0.654 -4.135 103 HA THR 17 HA THR 17 -4.605 0.783 -1.954 104 HB THR 17 HB THR 17 -5.959 2.690 -2.816 105 HG1 THR 17 HG1 THR 17 -7.349 2.387 -4.495 106 HG21 THR 17 3HG2 THR 17 -3.753 2.268 -3.754 107 HG22 THR 17 1HG2 THR 17 -4.852 2.854 -5.002 108 HG23 THR 17 2HG2 THR 17 -4.448 1.139 -4.918 109 H TRP 18 H TRP 18 -7.514 -0.925 -2.463 110 HA TRP 18 HA TRP 18 -9.094 0.348 -0.447 111 HB2 TRP 18 HB2 TRP 18 -10.123 -0.797 -2.345 112 HB3 TRP 18 HB3 TRP 18 -9.381 -2.314 -1.855 113 HD1 TRP 18 HD1 TRP 18 -12.310 -0.019 -1.079 114 HE1 TRP 18 HE1 TRP 18 -13.946 -1.271 0.471 115 HE3 TRP 18 HE3 TRP 18 -9.439 -4.108 0.013 116 HZ2 TRP 18 HZ2 TRP 18 -13.999 -3.661 1.974 117 HZ3 TRP 18 HZ3 TRP 18 -10.353 -5.823 1.518 118 HH2 TRP 18 HH2 TRP 18 -12.583 -5.609 2.479 119 H TYR 19 H TYR 19 -7.352 -2.763 -0.679 120 HA TYR 19 HA TYR 19 -7.870 -3.613 1.948 121 HB2 TYR 19 HB2 TYR 19 -7.049 -5.186 0.320 122 HB3 TYR 19 HB3 TYR 19 -5.575 -4.251 0.086 123 HD1 TYR 19 HD2 TYR 19 -7.444 -6.245 2.609 124 HD2 TYR 19 HD1 TYR 19 -3.674 -4.676 1.398 125 HE1 TYR 19 HE2 TYR 19 -6.339 -7.531 4.387 126 HE2 TYR 19 HE1 TYR 19 -2.562 -5.962 3.174 127 HH TYR 19 HH TYR 19 -4.210 -8.388 4.989 128 H VAL 20 H VAL 20 -5.243 -1.706 0.589 129 HA VAL 20 HA VAL 20 -3.632 -1.438 2.837 130 HB VAL 20 HB VAL 20 -4.188 0.483 0.578 131 HG11 VAL 20 2HG1 VAL 20 -2.188 1.714 1.296 132 HG12 VAL 20 1HG1 VAL 20 -2.101 0.710 2.742 133 HG13 VAL 20 3HG1 VAL 20 -3.477 1.787 2.497 134 HG21 VAL 20 3HG2 VAL 20 -1.850 -1.325 1.194 135 HG22 VAL 20 2HG2 VAL 20 -1.958 -0.219 -0.177 136 HG23 VAL 20 1HG2 VAL 20 -3.069 -1.584 -0.053 137 H TYR 21 H TYR 21 -6.423 0.487 1.818 138 HA TYR 21 HA TYR 21 -6.172 2.431 3.848 139 HB2 TYR 21 HB2 TYR 21 -7.445 2.625 1.643 140 HB3 TYR 21 HB3 TYR 21 -8.733 1.724 2.429 141 HD1 TYR 21 HD2 TYR 21 -6.589 4.721 3.049 142 HD2 TYR 21 HD1 TYR 21 -10.397 2.889 3.447 143 HE1 TYR 21 HE2 TYR 21 -7.467 6.793 4.035 144 HE2 TYR 21 HE1 TYR 21 -11.299 4.947 4.436 145 HH TYR 21 HH TYR 21 -10.258 6.951 5.750 146 H ASP 22 H ASP 22 -7.978 -0.594 3.630 147 HA ASP 22 HA ASP 22 -9.478 -0.216 6.009 148 HB2 ASP 22 HB2 ASP 22 -10.204 -1.826 4.342 149 HB3 ASP 22 HB3 ASP 22 -8.722 -2.754 4.547 150 H LYS 23 H LYS 23 -6.336 -1.669 5.347 151 HA LYS 23 HA LYS 23 -6.018 -2.767 7.961 152 HB2 LYS 23 HB2 LYS 23 -4.084 -2.258 5.709 153 HB3 LYS 23 HB3 LYS 23 -3.575 -2.948 7.246 154 HG2 LYS 23 HG2 LYS 23 -5.664 -4.130 5.430 155 HG3 LYS 23 HG3 LYS 23 -3.982 -4.648 5.520 156 HD2 LYS 23 HD2 LYS 23 -5.990 -4.735 7.775 157 HD3 LYS 23 HD3 LYS 23 -5.424 -6.118 6.833 158 HE2 LYS 23 HE2 LYS 23 -3.144 -5.724 7.640 159 HE3 LYS 23 HE3 LYS 23 -3.718 -4.347 8.582 160 HZ1 LYS 23 HZ1 LYS 23 -4.380 -7.212 8.978 161 HZ2 LYS 23 HZ2 LYS 23 -5.214 -5.955 9.752 162 HZ3 LYS 23 HZ3 LYS 23 -3.557 -6.180 10.042 163 H VAL 24 H VAL 24 -5.218 0.314 6.494 164 HA VAL 24 HA VAL 24 -3.617 1.118 8.766 165 HB VAL 24 HB VAL 24 -3.409 3.289 7.666 166 HG11 VAL 24 2HG1 VAL 24 -2.197 2.535 5.671 167 HG12 VAL 24 1HG1 VAL 24 -2.963 0.952 5.814 168 HG13 VAL 24 3HG1 VAL 24 -1.862 1.517 7.072 169 HG21 VAL 24 3HG2 VAL 24 -5.622 3.467 6.667 170 HG22 VAL 24 2HG2 VAL 24 -5.248 2.144 5.562 171 HG23 VAL 24 1HG2 VAL 24 -4.373 3.669 5.438 172 H GLY 25 H GLY 25 -6.807 0.719 8.419 173 HA2 GLY 25 HA1 GLY 25 -8.553 1.316 9.785 174 HA3 GLY 25 HA2 GLY 25 -7.406 2.220 10.761 175 H GLY 26 H GLY 26 -7.768 2.843 7.361 176 HA2 GLY 26 HA1 GLY 26 -8.554 4.659 6.210 177 HA3 GLY 26 HA2 GLY 26 -9.722 4.863 7.504 178 H GLU 27 H GLU 27 -6.240 4.959 7.917 179 HA GLU 27 HA GLU 27 -6.494 7.539 9.164 180 HB2 GLU 27 HB2 GLU 27 -5.080 5.868 10.215 181 HB3 GLU 27 HB3 GLU 27 -4.085 5.765 8.769 182 HG2 GLU 27 HG2 GLU 27 -3.011 7.080 10.518 183 HG3 GLU 27 HG3 GLU 27 -3.341 8.048 9.084 184 H ILE 28 H ILE 28 -4.368 6.302 6.564 185 HA ILE 28 HA ILE 28 -3.814 9.104 5.945 186 HB ILE 28 HB ILE 28 -1.748 8.555 5.119 187 HG12 ILE 28 2HG1 ILE 28 -2.698 6.811 3.519 188 HG13 ILE 28 3HG1 ILE 28 -1.058 6.542 4.098 189 HG21 ILE 28 2HG2 ILE 28 -2.271 6.396 7.151 190 HG22 ILE 28 1HG2 ILE 28 -1.805 8.064 7.485 191 HG23 ILE 28 3HG2 ILE 28 -0.682 6.984 6.660 192 HD11 ILE 28 3HD1 ILE 28 -2.256 4.474 4.049 193 HD12 ILE 28 2HD1 ILE 28 -3.564 5.154 5.020 194 HD13 ILE 28 1HD1 ILE 28 -1.966 4.923 5.732 195 H GLY 29 H GLY 29 -3.885 9.944 3.886 196 HA2 GLY 29 HA1 GLY 29 -3.974 9.885 1.566 197 HA3 GLY 29 HA2 GLY 29 -4.399 8.187 1.643 198 H SER 30 H SER 30 -6.575 7.662 2.330 199 HA SER 30 HA SER 30 -8.742 7.565 1.817 200 HB2 SER 30 HB2 SER 30 -10.144 9.627 2.276 201 HB3 SER 30 HB3 SER 30 -9.177 9.017 3.612 202 HG SER 30 HG SER 30 -9.232 11.451 2.776 203 H THR 31 H THR 31 -7.409 10.460 0.264 204 HA THR 31 HA THR 31 -9.006 9.789 -2.117 205 HB THR 31 HB THR 31 -9.772 11.855 -0.955 206 HG1 THR 31 HG1 THR 31 -8.563 12.444 -3.469 207 HG21 THR 31 3HG2 THR 31 -8.370 13.872 -1.031 208 HG22 THR 31 1HG2 THR 31 -7.032 12.915 -1.670 209 HG23 THR 31 2HG2 THR 31 -7.639 12.607 -0.043 210 H TRP 32 H TRP 32 -6.274 8.959 -1.341 211 HA TRP 32 HA TRP 32 -4.345 10.488 -2.725 212 HB2 TRP 32 HB2 TRP 32 -2.852 8.554 -2.452 213 HB3 TRP 32 HB3 TRP 32 -3.667 8.971 -0.951 214 HD1 TRP 32 HD1 TRP 32 -5.044 6.779 -3.799 215 HE1 TRP 32 HE1 TRP 32 -5.600 4.496 -2.849 216 HE3 TRP 32 HE3 TRP 32 -3.262 7.423 0.924 217 HZ2 TRP 32 HZ2 TRP 32 -5.335 3.096 -0.403 218 HZ3 TRP 32 HZ3 TRP 32 -3.445 5.552 2.514 219 HH2 TRP 32 HH2 TRP 32 -4.462 3.432 1.867 220 H GLY 33 H GLY 33 -6.755 8.366 -3.844 221 HA2 GLY 33 HA1 GLY 33 -7.284 8.091 -6.125 222 HA3 GLY 33 HA2 GLY 33 -5.659 8.624 -6.524 223 H ASN 34 H ASN 34 -4.269 7.185 -7.181 224 HA ASN 34 HA ASN 34 -4.727 4.375 -6.457 225 HB2 ASN 34 HB2 ASN 34 -3.799 5.426 -9.138 226 HB3 ASN 34 HB3 ASN 34 -3.827 3.732 -8.669 227 HD21 ASN 34 1HD2 ASN 34 -6.353 4.027 -7.203 228 HD22 ASN 34 2HD2 ASN 34 -7.584 4.118 -8.411 229 H ALA 35 H ALA 35 -2.555 3.168 -7.324 230 HA ALA 35 HA ALA 35 -0.783 3.870 -5.227 231 HB1 ALA 35 HB1 ALA 35 0.462 1.906 -5.921 232 HB2 ALA 35 HB2 ALA 35 -1.269 1.573 -5.848 233 HB3 ALA 35 HB3 ALA 35 -0.485 1.823 -7.407 234 H ASN 36 H ASN 36 -0.487 4.040 -8.770 235 HA ASN 36 HA ASN 36 2.267 4.755 -8.715 236 HB2 ASN 36 HB2 ASN 36 1.954 5.314 -11.125 237 HB3 ASN 36 HB3 ASN 36 1.407 3.698 -10.692 238 HD21 ASN 36 1HD2 ASN 36 0.061 3.553 -12.463 239 HD22 ASN 36 2HD2 ASN 36 -1.428 4.435 -12.576 240 H ASN 37 H ASN 37 -0.376 6.469 -7.808 241 HA ASN 37 HA ASN 37 0.914 9.053 -8.394 242 HB2 ASN 37 HB2 ASN 37 -1.324 8.665 -9.496 243 HB3 ASN 37 HB3 ASN 37 -2.032 8.563 -7.890 244 HD21 ASN 37 1HD2 ASN 37 -3.350 10.331 -8.188 245 HD22 ASN 37 2HD2 ASN 37 -2.744 11.948 -8.268 246 H TRP 38 H TRP 38 0.682 6.855 -6.100 247 HA TRP 38 HA TRP 38 -0.610 7.896 -3.896 248 HB2 TRP 38 HB2 TRP 38 1.308 5.805 -4.381 249 HB3 TRP 38 HB3 TRP 38 1.696 6.671 -2.882 250 HD1 TRP 38 HD1 TRP 38 -1.830 5.772 -4.238 251 HE1 TRP 38 HE1 TRP 38 -3.014 4.440 -2.422 252 HE3 TRP 38 HE3 TRP 38 2.014 5.418 -0.910 253 HZ2 TRP 38 HZ2 TRP 38 -2.377 3.365 0.177 254 HZ3 TRP 38 HZ3 TRP 38 1.653 4.220 1.194 255 HH2 TRP 38 HH2 TRP 38 -0.483 3.211 1.715 256 H ALA 39 H ALA 39 2.909 8.026 -4.387 257 HA ALA 39 HA ALA 39 3.603 9.622 -2.302 258 HB1 ALA 39 HB1 ALA 39 4.787 9.748 -5.072 259 HB2 ALA 39 HB2 ALA 39 5.566 10.295 -3.586 260 HB3 ALA 39 HB3 ALA 39 5.208 8.583 -3.817 261 H ALA 40 H ALA 40 2.446 10.751 -5.463 262 HA ALA 40 HA ALA 40 2.859 13.505 -4.935 263 HB1 ALA 40 HB1 ALA 40 1.044 12.189 -6.944 264 HB2 ALA 40 HB2 ALA 40 1.539 13.882 -6.949 265 HB3 ALA 40 HB3 ALA 40 2.737 12.611 -7.194 266 H ALA 41 H ALA 41 0.048 11.376 -4.610 267 HA ALA 41 HA ALA 41 -1.727 13.487 -3.812 268 HB1 ALA 41 HB1 ALA 41 -2.529 11.413 -4.882 269 HB2 ALA 41 HB2 ALA 41 -2.035 10.504 -3.454 270 HB3 ALA 41 HB3 ALA 41 -3.309 11.718 -3.333 271 H ALA 42 H ALA 42 0.188 11.032 -2.213 272 HA ALA 42 HA ALA 42 -0.612 11.397 0.441 273 HB1 ALA 42 HB1 ALA 42 2.024 10.566 -0.770 274 HB2 ALA 42 HB2 ALA 42 1.687 10.521 0.960 275 HB3 ALA 42 HB3 ALA 42 0.739 9.528 -0.145 276 H GLN 43 H GLN 43 1.990 12.983 -1.418 277 HA GLN 43 HA GLN 43 2.799 14.709 0.681 278 HB2 GLN 43 HB2 GLN 43 3.139 14.939 -2.309 279 HB3 GLN 43 HB3 GLN 43 3.909 16.008 -1.144 280 HG2 GLN 43 HG2 GLN 43 5.111 14.135 -0.182 281 HG3 GLN 43 HG3 GLN 43 4.298 13.022 -1.292 282 HE21 GLN 43 1HE2 GLN 43 7.153 13.676 -0.905 283 HE22 GLN 43 2HE2 GLN 43 7.724 14.127 -2.484 284 H GLY 44 H GLY 44 0.320 14.890 -1.771 285 HA2 GLY 44 HA1 GLY 44 -0.349 17.619 -1.475 286 HA3 GLY 44 HA2 GLY 44 -1.434 16.350 -2.038 287 H ALA 45 H ALA 45 -1.206 14.742 0.341 288 HA ALA 45 HA ALA 45 -2.988 16.142 2.116 289 HB1 ALA 45 HB1 ALA 45 -3.278 13.751 1.682 290 HB2 ALA 45 HB2 ALA 45 -1.700 13.427 2.399 291 HB3 ALA 45 HB3 ALA 45 -3.009 14.060 3.397 292 H GLY 46 H GLY 46 0.377 15.102 2.119 293 HA2 GLY 46 HA1 GLY 46 1.848 16.836 3.192 294 HA3 GLY 46 HA2 GLY 46 0.781 16.686 4.578 295 H PHE 47 H PHE 47 1.670 13.865 2.725 296 HA PHE 47 HA PHE 47 2.920 12.742 5.091 297 HB2 PHE 47 HB2 PHE 47 2.530 11.468 2.375 298 HB3 PHE 47 HB3 PHE 47 2.994 10.643 3.852 299 HD1 PHE 47 HD1 PHE 47 0.722 12.760 5.154 300 HD2 PHE 47 HD2 PHE 47 0.878 9.527 2.399 301 HE1 PHE 47 HE1 PHE 47 -1.657 12.289 5.569 302 HE2 PHE 47 HE2 PHE 47 -1.493 9.037 2.798 303 HZ PHE 47 HZ PHE 47 -2.763 10.437 4.384 304 H THR 48 H THR 48 4.997 11.707 5.029 305 HA THR 48 HA THR 48 6.919 13.110 3.301 306 HB THR 48 HB THR 48 7.477 11.392 5.730 307 HG1 THR 48 HG1 THR 48 6.158 13.424 6.025 308 HG21 THR 48 3HG2 THR 48 9.629 12.599 5.751 309 HG22 THR 48 1HG2 THR 48 9.171 13.419 4.260 310 HG23 THR 48 2HG2 THR 48 9.405 11.670 4.268 311 H VAL 49 H VAL 49 7.130 11.961 1.399 312 HA VAL 49 HA VAL 49 7.014 9.046 1.574 313 HB VAL 49 HB VAL 49 6.390 8.936 -0.625 314 HG11 VAL 49 2HG1 VAL 49 4.688 10.156 0.562 315 HG12 VAL 49 1HG1 VAL 49 4.788 10.739 -1.101 316 HG13 VAL 49 3HG1 VAL 49 5.492 11.685 0.208 317 HG21 VAL 49 3HG2 VAL 49 8.305 9.972 -1.640 318 HG22 VAL 49 2HG2 VAL 49 7.750 11.571 -1.144 319 HG23 VAL 49 1HG2 VAL 49 6.833 10.651 -2.337 320 H ASN 50 H ASN 50 8.718 7.796 1.495 321 HA ASN 50 HA ASN 50 10.937 8.025 -0.161 322 HB2 ASN 50 HB2 ASN 50 12.739 8.621 1.419 323 HB3 ASN 50 HB3 ASN 50 11.649 9.985 1.143 324 HD21 ASN 50 1HD2 ASN 50 12.772 7.583 3.427 325 HD22 ASN 50 2HD2 ASN 50 12.041 8.287 4.828 326 H HIS 51 H HIS 51 9.575 6.900 2.853 327 HA HIS 51 HA HIS 51 11.963 5.775 3.752 328 HB2 HIS 51 HB2 HIS 51 10.012 6.490 5.191 329 HB3 HIS 51 HB3 HIS 51 9.253 4.958 4.768 330 HD1 HIS 51 HD1 HIS 51 9.465 3.568 6.846 331 HD2 HIS 51 HD2 HIS 51 13.005 5.522 5.902 332 HE1 HIS 51 HE1 HIS 51 11.161 2.715 8.484 333 HE2 HIS 51 HE2 HIS 51 13.330 3.787 7.789 334 H THR 52 H THR 52 12.968 4.090 3.262 335 HA THR 52 HA THR 52 12.300 1.746 2.066 336 HB THR 52 HB THR 52 13.915 2.406 4.513 337 HG1 THR 52 HG1 THR 52 14.332 2.141 1.792 338 HG21 THR 52 3HG2 THR 52 13.194 0.075 4.827 339 HG22 THR 52 1HG2 THR 52 14.912 0.144 4.437 340 HG23 THR 52 2HG2 THR 52 13.746 -0.328 3.200 341 HA PRO 53 HA PRO 53 8.517 0.504 3.986 342 HB2 PRO 53 HB2 PRO 53 8.832 -2.247 3.637 343 HB3 PRO 53 HB3 PRO 53 8.113 -1.123 2.485 344 HG2 PRO 53 HG2 PRO 53 10.890 -2.203 2.594 345 HG3 PRO 53 HG3 PRO 53 9.866 -1.877 1.184 346 HD2 PRO 53 HD2 PRO 53 11.854 -0.228 1.835 347 HD3 PRO 53 HD3 PRO 53 10.300 0.408 1.249 348 H SER 54 H SER 54 7.613 -0.573 5.754 349 HA SER 54 HA SER 54 9.195 -1.950 7.702 350 HB2 SER 54 HB2 SER 54 8.243 0.866 8.343 351 HB3 SER 54 HB3 SER 54 9.014 -0.248 9.470 352 HG SER 54 HG SER 54 10.563 -0.003 7.304 353 H LYS 55 H LYS 55 7.709 -2.168 9.792 354 HA LYS 55 HA LYS 55 5.272 -3.248 8.785 355 HB2 LYS 55 HB2 LYS 55 4.881 -4.121 10.913 356 HB3 LYS 55 HB3 LYS 55 6.633 -4.096 10.786 357 HG2 LYS 55 HG2 LYS 55 6.726 -2.095 12.129 358 HG3 LYS 55 HG3 LYS 55 4.966 -2.030 12.198 359 HD2 LYS 55 HD2 LYS 55 4.958 -4.229 13.318 360 HD3 LYS 55 HD3 LYS 55 6.722 -4.213 13.319 361 HE2 LYS 55 HE2 LYS 55 6.741 -2.244 14.723 362 HE3 LYS 55 HE3 LYS 55 4.982 -2.134 14.639 363 HZ1 LYS 55 HZ1 LYS 55 6.473 -4.414 15.825 364 HZ2 LYS 55 HZ2 LYS 55 4.794 -4.194 15.827 365 HZ3 LYS 55 HZ3 LYS 55 5.785 -3.142 16.714 366 H GLY 56 H GLY 56 3.155 -2.692 9.285 367 HA2 GLY 56 HA1 GLY 56 1.371 -1.308 9.716 368 HA3 GLY 56 HA2 GLY 56 2.420 -0.415 10.807 369 H ALA 57 H ALA 57 3.046 -0.921 7.402 370 HA ALA 57 HA ALA 57 2.310 1.841 6.797 371 HB1 ALA 57 HB1 ALA 57 4.466 2.267 5.718 372 HB2 ALA 57 HB2 ALA 57 4.651 1.963 7.447 373 HB3 ALA 57 HB3 ALA 57 5.050 0.699 6.282 374 H ILE 58 H ILE 58 3.417 1.957 4.259 375 HA ILE 58 HA ILE 58 2.314 -0.368 2.865 376 HB ILE 58 HB ILE 58 1.673 2.426 1.944 377 HG12 ILE 58 2HG1 ILE 58 -0.721 1.638 2.779 378 HG13 ILE 58 3HG1 ILE 58 0.239 0.714 3.929 379 HG21 ILE 58 2HG2 ILE 58 -0.032 1.283 0.617 380 HG22 ILE 58 1HG2 ILE 58 0.495 -0.264 1.278 381 HG23 ILE 58 3HG2 ILE 58 1.586 0.678 0.262 382 HD11 ILE 58 3HD1 ILE 58 0.338 3.698 3.547 383 HD12 ILE 58 2HD1 ILE 58 1.285 2.772 4.713 384 HD13 ILE 58 1HD1 ILE 58 -0.472 2.842 4.861 385 H LEU 59 H LEU 59 3.076 -0.613 0.717 386 HA LEU 59 HA LEU 59 5.627 0.778 0.229 387 HB2 LEU 59 HB2 LEU 59 5.682 -1.662 0.912 388 HB3 LEU 59 HB3 LEU 59 4.866 -2.031 -0.591 389 HG LEU 59 HG LEU 59 7.379 -2.380 -0.555 390 HD11 LEU 59 2HD1 LEU 59 7.668 -1.517 -2.815 391 HD12 LEU 59 1HD1 LEU 59 6.206 -0.549 -2.628 392 HD13 LEU 59 3HD1 LEU 59 6.106 -2.309 -2.610 393 HD21 LEU 59 3HD2 LEU 59 7.370 0.623 -0.659 394 HD22 LEU 59 2HD2 LEU 59 8.772 -0.432 -0.826 395 HD23 LEU 59 1HD2 LEU 59 7.906 -0.355 0.709 396 H GLN 60 H GLN 60 5.734 1.929 -1.636 397 HA GLN 60 HA GLN 60 3.659 1.419 -3.678 398 HB2 GLN 60 HB2 GLN 60 3.439 3.646 -2.733 399 HB3 GLN 60 HB3 GLN 60 5.139 3.985 -3.053 400 HG2 GLN 60 HG2 GLN 60 4.543 3.472 -5.510 401 HG3 GLN 60 HG3 GLN 60 2.870 3.727 -4.991 402 HE21 GLN 60 1HE2 GLN 60 4.221 5.223 -6.923 403 HE22 GLN 60 2HE2 GLN 60 4.346 6.847 -6.364 404 H SER 61 H SER 61 4.165 0.911 -5.639 405 HA SER 61 HA SER 61 6.905 1.363 -6.615 406 HB2 SER 61 HB2 SER 61 6.303 -1.001 -6.650 407 HB3 SER 61 HB3 SER 61 4.809 -0.635 -7.508 408 HG SER 61 HG SER 61 7.384 -0.039 -8.538 409 H SER 62 H SER 62 7.150 2.350 -8.636 410 HA SER 62 HA SER 62 5.082 4.260 -9.241 411 HB2 SER 62 HB2 SER 62 6.834 4.991 -10.977 412 HB3 SER 62 HB3 SER 62 7.278 5.127 -9.275 413 HG SER 62 HG SER 62 8.765 4.024 -10.934 414 H GLU 63 H GLU 63 6.150 1.235 -10.509 415 HA GLU 63 HA GLU 63 4.891 1.702 -13.097 416 HB2 GLU 63 HB2 GLU 63 5.798 -0.601 -13.609 417 HB3 GLU 63 HB3 GLU 63 7.001 0.635 -13.279 418 HG2 GLU 63 HG2 GLU 63 7.156 -0.222 -10.951 419 HG3 GLU 63 HG3 GLU 63 6.070 -1.531 -11.414 420 H GLY 64 H GLY 64 3.387 0.133 -13.971 421 HA2 GLY 64 HA1 GLY 64 1.929 -1.802 -13.461 422 HA3 GLY 64 HA2 GLY 64 1.699 -1.082 -11.872 423 HA PRO 65 HA PRO 65 -1.415 0.331 -15.394 424 HB2 PRO 65 HB2 PRO 65 -3.563 -0.950 -14.109 425 HB3 PRO 65 HB3 PRO 65 -2.785 -1.468 -15.606 426 HG2 PRO 65 HG2 PRO 65 -2.364 -2.420 -12.817 427 HG3 PRO 65 HG3 PRO 65 -2.310 -3.333 -14.337 428 HD2 PRO 65 HD2 PRO 65 -0.068 -2.668 -13.039 429 HD3 PRO 65 HD3 PRO 65 -0.139 -2.639 -14.814 430 H PHE 66 H PHE 66 -2.156 -0.336 -11.979 431 HA PHE 66 HA PHE 66 -2.942 2.484 -11.676 432 HB2 PHE 66 HB2 PHE 66 -3.667 0.103 -9.947 433 HB3 PHE 66 HB3 PHE 66 -4.173 1.763 -9.659 434 HD1 PHE 66 HD2 PHE 66 -5.644 2.886 -11.366 435 HD2 PHE 66 HD1 PHE 66 -4.874 -1.298 -11.377 436 HE1 PHE 66 HE2 PHE 66 -7.631 2.529 -12.772 437 HE2 PHE 66 HE1 PHE 66 -6.861 -1.664 -12.784 438 HZ PHE 66 HZ PHE 66 -8.244 0.252 -13.480 439 H GLY 67 H GLY 67 -0.344 0.703 -11.433 440 HA2 GLY 67 HA1 GLY 67 1.653 1.115 -10.304 441 HA3 GLY 67 HA2 GLY 67 0.779 2.156 -9.185 442 H HIS 68 H HIS 68 2.319 0.822 -7.747 443 HA HIS 68 HA HIS 68 0.828 -1.549 -6.789 444 HB2 HIS 68 HB2 HIS 68 3.822 -1.081 -6.799 445 HB3 HIS 68 HB3 HIS 68 3.030 -2.365 -5.889 446 HD1 HIS 68 HD1 HIS 68 3.824 -1.363 -9.443 447 HD2 HIS 68 HD2 HIS 68 2.332 -4.617 -7.321 448 HE1 HIS 68 HE1 HIS 68 3.829 -3.284 -11.056 449 HE2 HIS 68 HE2 HIS 68 2.989 -5.263 -9.742 450 H VAL 69 H VAL 69 -0.258 -0.588 -4.984 451 HA VAL 69 HA VAL 69 1.730 0.068 -2.932 452 HB VAL 69 HB VAL 69 -0.142 1.113 -1.628 453 HG11 VAL 69 2HG1 VAL 69 -0.026 3.213 -2.922 454 HG12 VAL 69 1HG1 VAL 69 0.661 2.312 -4.273 455 HG13 VAL 69 3HG1 VAL 69 1.542 2.424 -2.749 456 HG21 VAL 69 3HG2 VAL 69 -2.024 0.114 -2.847 457 HG22 VAL 69 2HG2 VAL 69 -1.559 1.007 -4.294 458 HG23 VAL 69 1HG2 VAL 69 -2.112 1.876 -2.863 459 H ALA 70 H ALA 70 2.178 -1.617 -1.867 460 HA ALA 70 HA ALA 70 0.049 -3.499 -1.122 461 HB1 ALA 70 HB1 ALA 70 1.840 -5.130 -0.756 462 HB2 ALA 70 HB2 ALA 70 1.862 -4.515 -2.410 463 HB3 ALA 70 HB3 ALA 70 3.036 -3.924 -1.234 464 H TYR 71 H TYR 71 -0.526 -3.551 0.948 465 HA TYR 71 HA TYR 71 0.680 -1.735 2.775 466 HB2 TYR 71 HB2 TYR 71 -1.593 -1.984 3.163 467 HB3 TYR 71 HB3 TYR 71 -1.547 -3.735 2.917 468 HD1 TYR 71 HD2 TYR 71 -0.874 -1.025 5.329 469 HD2 TYR 71 HD1 TYR 71 -1.047 -5.234 4.713 470 HE1 TYR 71 HE2 TYR 71 -0.754 -1.382 7.762 471 HE2 TYR 71 HE1 TYR 71 -0.923 -5.600 7.144 472 HH TYR 71 HH TYR 71 -1.360 -3.118 9.415 473 H VAL 72 H VAL 72 2.244 -2.056 4.200 474 HA VAL 72 HA VAL 72 3.679 -4.579 4.029 475 HB VAL 72 HB VAL 72 4.526 -2.119 5.548 476 HG11 VAL 72 2HG1 VAL 72 5.786 -4.102 6.066 477 HG12 VAL 72 1HG1 VAL 72 6.788 -3.007 5.111 478 HG13 VAL 72 3HG1 VAL 72 6.056 -4.422 4.351 479 HG21 VAL 72 3HG2 VAL 72 5.739 -1.382 3.568 480 HG22 VAL 72 2HG2 VAL 72 4.004 -1.456 3.248 481 HG23 VAL 72 1HG2 VAL 72 5.071 -2.728 2.643 482 H GLU 73 H GLU 73 3.399 -6.107 5.492 483 HA GLU 73 HA GLU 73 1.951 -5.594 7.914 484 HB2 GLU 73 HB2 GLU 73 3.420 -8.099 7.076 485 HB3 GLU 73 HB3 GLU 73 2.235 -7.969 8.367 486 HG2 GLU 73 HG2 GLU 73 0.559 -7.298 6.626 487 HG3 GLU 73 HG3 GLU 73 1.767 -7.720 5.410 488 H SER 74 H SER 74 5.299 -6.090 6.988 489 HA SER 74 HA SER 74 6.443 -4.945 9.234 490 HB2 SER 74 HB2 SER 74 5.398 -6.934 10.395 491 HB3 SER 74 HB3 SER 74 6.468 -7.964 9.446 492 HG SER 74 HG SER 74 8.118 -7.391 10.645 493 H VAL 75 H VAL 75 8.781 -5.354 9.377 494 HA VAL 75 HA VAL 75 9.896 -6.280 6.823 495 HB VAL 75 HB VAL 75 10.563 -4.008 7.519 496 HG11 VAL 75 2HG1 VAL 75 12.026 -3.677 9.461 497 HG12 VAL 75 1HG1 VAL 75 11.800 -5.368 9.911 498 HG13 VAL 75 3HG1 VAL 75 10.428 -4.259 9.926 499 HG21 VAL 75 3HG2 VAL 75 12.845 -5.981 7.631 500 HG22 VAL 75 2HG2 VAL 75 12.979 -4.261 7.263 501 HG23 VAL 75 1HG2 VAL 75 12.108 -5.334 6.166 502 H ASN 76 H ASN 76 11.462 -7.903 6.773 503 HA ASN 76 HA ASN 76 11.285 -9.712 9.039 504 HB2 ASN 76 HB2 ASN 76 12.450 -10.080 6.273 505 HB3 ASN 76 HB3 ASN 76 12.419 -11.332 7.511 506 HD21 ASN 76 1HD2 ASN 76 10.569 -9.514 5.228 507 HD22 ASN 76 2HD2 ASN 76 9.098 -10.424 5.372 508 H SER 77 H SER 77 13.396 -11.047 9.389 509 HA SER 77 HA SER 77 15.242 -9.275 10.595 510 HB2 SER 77 HB2 SER 77 15.558 -12.246 10.112 511 HB3 SER 77 HB3 SER 77 16.366 -11.276 11.347 512 HG SER 77 HG SER 77 14.553 -11.171 12.500 513 H ASP 78 H ASP 78 15.019 -10.370 7.412 514 HA ASP 78 HA ASP 78 17.921 -10.321 7.010 515 HB2 ASP 78 HB2 ASP 78 15.764 -11.191 5.079 516 HB3 ASP 78 HB3 ASP 78 17.501 -11.376 4.861 517 H GLY 79 H GLY 79 15.405 -8.204 6.899 518 HA2 GLY 79 HA1 GLY 79 15.745 -5.937 6.242 519 HA3 GLY 79 HA2 GLY 79 16.866 -6.494 5.007 520 H SER 80 H SER 80 14.781 -8.666 4.423 521 HA SER 80 HA SER 80 13.356 -7.213 2.407 522 HB2 SER 80 HB2 SER 80 12.266 -9.581 2.158 523 HB3 SER 80 HB3 SER 80 13.955 -9.351 1.700 524 HG SER 80 HG SER 80 14.277 -10.943 3.044 525 H VAL 81 H VAL 81 11.083 -6.925 2.288 526 HA VAL 81 HA VAL 81 9.834 -6.950 4.958 527 HB VAL 81 HB VAL 81 8.391 -5.118 4.192 528 HG11 VAL 81 2HG1 VAL 81 11.342 -4.602 3.850 529 HG12 VAL 81 1HG1 VAL 81 10.443 -4.586 5.367 530 HG13 VAL 81 3HG1 VAL 81 10.118 -3.367 4.135 531 HG21 VAL 81 3HG2 VAL 81 8.341 -5.589 1.813 532 HG22 VAL 81 2HG2 VAL 81 10.061 -5.214 1.681 533 HG23 VAL 81 1HG2 VAL 81 8.910 -3.944 2.094 534 H THR 82 H THR 82 7.811 -7.718 5.259 535 HA THR 82 HA THR 82 6.712 -9.370 3.118 536 HB THR 82 HB THR 82 5.988 -9.216 6.059 537 HG1 THR 82 HG1 THR 82 7.130 -11.501 4.940 538 HG21 THR 82 3HG2 THR 82 4.704 -11.255 5.673 539 HG22 THR 82 1HG2 THR 82 5.115 -11.210 3.958 540 HG23 THR 82 2HG2 THR 82 4.097 -9.949 4.654 541 H ILE 83 H ILE 83 5.140 -8.573 1.892 542 HA ILE 83 HA ILE 83 3.464 -6.411 2.995 543 HB ILE 83 HB ILE 83 3.299 -5.486 0.714 544 HG12 ILE 83 2HG1 ILE 83 5.416 -7.532 0.016 545 HG13 ILE 83 3HG1 ILE 83 3.735 -7.597 -0.501 546 HG21 ILE 83 2HG2 ILE 83 5.586 -4.580 0.571 547 HG22 ILE 83 1HG2 ILE 83 6.117 -5.786 1.742 548 HG23 ILE 83 3HG2 ILE 83 4.948 -4.553 2.216 549 HD11 ILE 83 3HD1 ILE 83 5.190 -6.778 -2.266 550 HD12 ILE 83 2HD1 ILE 83 5.715 -5.452 -1.228 551 HD13 ILE 83 1HD1 ILE 83 4.038 -5.539 -1.764 552 H SER 84 H SER 84 1.328 -6.238 2.058 553 HA SER 84 HA SER 84 0.373 -8.573 0.596 554 HB2 SER 84 HB2 SER 84 -0.818 -7.612 3.208 555 HB3 SER 84 HB3 SER 84 -1.571 -8.795 2.139 556 HG SER 84 HG SER 84 1.014 -9.433 2.678 557 H GLU 85 H GLU 85 -0.518 -7.758 -1.146 558 HA GLU 85 HA GLU 85 -2.352 -5.486 -0.840 559 HB2 GLU 85 HB2 GLU 85 -1.814 -4.839 -3.180 560 HB3 GLU 85 HB3 GLU 85 -0.429 -4.722 -2.107 561 HG2 GLU 85 HG2 GLU 85 0.375 -6.891 -2.961 562 HG3 GLU 85 HG3 GLU 85 -0.981 -6.925 -4.084 563 H MET 86 H MET 86 -4.366 -6.181 -1.032 564 HA MET 86 HA MET 86 -5.018 -8.653 -2.295 565 HB2 MET 86 HB2 MET 86 -6.433 -6.636 -0.731 566 HB3 MET 86 HB3 MET 86 -7.414 -7.340 -2.007 567 HG2 MET 86 HG2 MET 86 -7.808 -8.651 -0.128 568 HG3 MET 86 HG3 MET 86 -6.708 -9.590 -1.123 569 HE1 MET 86 HE1 MET 86 -7.442 -9.567 2.239 570 HE2 MET 86 HE2 MET 86 -6.693 -10.909 1.368 571 HE3 MET 86 HE3 MET 86 -5.894 -10.217 2.781 572 H ASN 87 H ASN 87 -5.969 -9.064 -4.163 573 HA ASN 87 HA ASN 87 -6.621 -8.873 -6.315 574 HB2 ASN 87 HB2 ASN 87 -8.425 -7.483 -5.440 575 HB3 ASN 87 HB3 ASN 87 -7.394 -6.060 -5.526 576 HD21 ASN 87 1HD2 ASN 87 -7.038 -5.085 -7.504 577 HD22 ASN 87 2HD2 ASN 87 -7.931 -5.493 -8.926 578 H TYR 88 H TYR 88 -5.266 -5.636 -5.621 579 HA TYR 88 HA TYR 88 -3.853 -4.310 -6.793 580 HB2 TYR 88 HB2 TYR 88 -2.060 -5.761 -6.360 581 HB3 TYR 88 HB3 TYR 88 -2.702 -7.022 -7.404 582 HD1 TYR 88 HD1 TYR 88 -1.711 -3.426 -7.822 583 HD2 TYR 88 HD2 TYR 88 -1.437 -7.419 -9.264 584 HE1 TYR 88 HE1 TYR 88 -0.281 -2.658 -9.669 585 HE2 TYR 88 HE2 TYR 88 -0.004 -6.663 -11.109 586 HH TYR 88 HH TYR 88 0.482 -4.652 -12.351 587 H SER 89 H SER 89 -4.161 -6.998 -9.080 588 HA SER 89 HA SER 89 -6.007 -5.754 -10.801 589 HB2 SER 89 HB2 SER 89 -4.110 -4.226 -11.257 590 HB3 SER 89 HB3 SER 89 -3.105 -5.608 -11.686 591 HG SER 89 HG SER 89 -3.893 -5.468 -13.611 592 H GLY 90 H GLY 90 -6.847 -7.872 -10.636 593 HA2 GLY 90 HA1 GLY 90 -6.295 -9.654 -12.641 594 HA3 GLY 90 HA2 GLY 90 -5.224 -10.143 -11.338 595 H GLY 91 H GLY 91 -6.525 -10.139 -9.111 596 HA2 GLY 91 HA1 GLY 91 -9.115 -11.459 -9.572 597 HA3 GLY 91 HA2 GLY 91 -7.859 -12.308 -8.683 598 HA PRO 92 HA PRO 92 -10.292 -8.776 -6.235 599 HB2 PRO 92 HB2 PRO 92 -12.484 -10.767 -5.962 600 HB3 PRO 92 HB3 PRO 92 -12.572 -9.009 -6.131 601 HG2 PRO 92 HG2 PRO 92 -13.184 -10.592 -8.179 602 HG3 PRO 92 HG3 PRO 92 -12.278 -9.086 -8.435 603 HD2 PRO 92 HD2 PRO 92 -11.288 -11.908 -8.372 604 HD3 PRO 92 HD3 PRO 92 -10.810 -10.569 -9.437 605 H PHE 93 H PHE 93 -9.291 -8.832 -4.381 606 HA PHE 93 HA PHE 93 -8.745 -9.334 -2.257 607 HB2 PHE 93 HB2 PHE 93 -10.670 -11.631 -2.583 608 HB3 PHE 93 HB3 PHE 93 -9.813 -11.257 -1.090 609 HD1 PHE 93 HD2 PHE 93 -10.346 -9.242 0.171 610 HD2 PHE 93 HD1 PHE 93 -12.530 -10.310 -3.319 611 HE1 PHE 93 HE2 PHE 93 -12.137 -7.687 0.822 612 HE2 PHE 93 HE1 PHE 93 -14.324 -8.756 -2.677 613 HZ PHE 93 HZ PHE 93 -14.133 -7.442 -0.602 614 H SER 94 H SER 94 -7.741 -10.908 -4.856 615 HA SER 94 HA SER 94 -6.309 -13.058 -3.668 616 HB2 SER 94 HB2 SER 94 -5.749 -11.509 -6.209 617 HB3 SER 94 HB3 SER 94 -4.887 -12.971 -5.712 618 HG SER 94 HG SER 94 -7.302 -13.735 -5.548 619 H VAL 95 H VAL 95 -5.461 -12.192 -1.790 620 HA VAL 95 HA VAL 95 -3.813 -9.973 -1.617 621 HB VAL 95 HB VAL 95 -4.596 -10.938 0.408 622 HG11 VAL 95 2HG1 VAL 95 -4.855 -13.236 -0.275 623 HG12 VAL 95 1HG1 VAL 95 -3.900 -13.155 1.206 624 HG13 VAL 95 3HG1 VAL 95 -3.106 -13.444 -0.343 625 HG21 VAL 95 3HG2 VAL 95 -2.423 -9.863 0.565 626 HG22 VAL 95 2HG2 VAL 95 -1.626 -11.398 0.228 627 HG23 VAL 95 1HG2 VAL 95 -2.553 -11.195 1.714 628 H SER 96 H SER 96 -2.102 -9.610 -2.868 629 HA SER 96 HA SER 96 -0.557 -11.644 -4.080 630 HB2 SER 96 HB2 SER 96 -0.814 -9.309 -4.958 631 HB3 SER 96 HB3 SER 96 0.216 -8.746 -3.643 632 HG SER 96 HG SER 96 1.667 -9.075 -5.177 633 H SER 97 H SER 97 0.625 -12.996 -2.944 634 HA SER 97 HA SER 97 1.820 -12.208 -0.431 635 HB2 SER 97 HB2 SER 97 2.659 -14.705 -0.654 636 HB3 SER 97 HB3 SER 97 0.985 -14.352 -0.223 637 HG SER 97 HG SER 97 1.862 -15.746 -2.285 638 H ARG 98 H ARG 98 3.484 -10.860 -0.809 639 HA ARG 98 HA ARG 98 5.637 -11.817 -2.550 640 HB2 ARG 98 HB2 ARG 98 4.160 -10.231 -3.778 641 HB3 ARG 98 HB3 ARG 98 4.514 -9.010 -2.563 642 HG2 ARG 98 HG2 ARG 98 6.880 -9.103 -3.177 643 HG3 ARG 98 HG3 ARG 98 6.494 -10.309 -4.406 644 HD2 ARG 98 HD2 ARG 98 5.180 -8.763 -5.638 645 HD3 ARG 98 HD3 ARG 98 5.234 -7.579 -4.336 646 HE ARG 98 HE ARG 98 7.778 -7.655 -4.862 647 HH11 ARG 98 2HH1 ARG 98 5.184 -7.920 -7.200 648 HH12 ARG 98 1HH1 ARG 98 6.076 -7.135 -8.472 649 HH21 ARG 98 2HH2 ARG 98 8.958 -6.600 -6.516 650 HH22 ARG 98 1HH2 ARG 98 8.229 -6.416 -8.086 651 H THR 99 H THR 99 7.680 -11.296 -1.899 652 HA THR 99 HA THR 99 7.924 -9.723 0.584 653 HB THR 99 HB THR 99 9.762 -11.965 -0.278 654 HG1 THR 99 HG1 THR 99 7.309 -12.023 1.036 655 HG21 THR 99 3HG2 THR 99 9.404 -10.537 2.363 656 HG22 THR 99 1HG2 THR 99 10.761 -10.351 1.254 657 HG23 THR 99 2HG2 THR 99 10.495 -11.893 2.068 658 H ILE 100 H ILE 100 8.920 -7.852 0.214 659 HA ILE 100 HA ILE 100 10.410 -7.444 -2.243 660 HB ILE 100 HB ILE 100 9.913 -5.476 0.000 661 HG12 ILE 100 2HG1 ILE 100 7.783 -6.294 -0.944 662 HG13 ILE 100 3HG1 ILE 100 8.068 -4.599 -1.330 663 HG21 ILE 100 2HG2 ILE 100 10.722 -5.062 -2.872 664 HG22 ILE 100 1HG2 ILE 100 11.753 -4.859 -1.456 665 HG23 ILE 100 3HG2 ILE 100 10.376 -3.786 -1.707 666 HD11 ILE 100 3HD1 ILE 100 8.789 -5.235 -3.572 667 HD12 ILE 100 2HD1 ILE 100 7.154 -5.799 -3.229 668 HD13 ILE 100 1HD1 ILE 100 8.507 -6.930 -3.181 669 H SER 101 H SER 101 12.546 -7.776 -2.369 670 HA SER 101 HA SER 101 14.201 -8.106 -0.068 671 HB2 SER 101 HB2 SER 101 14.660 -9.159 -2.294 672 HB3 SER 101 HB3 SER 101 15.045 -7.558 -2.927 673 HG SER 101 HG SER 101 16.359 -8.701 -0.679 674 H ALA 102 H ALA 102 15.883 -6.708 0.655 675 HA ALA 102 HA ALA 102 15.165 -4.104 1.143 676 HB1 ALA 102 HB1 ALA 102 17.986 -5.156 1.036 677 HB2 ALA 102 HB2 ALA 102 17.427 -3.737 1.921 678 HB3 ALA 102 HB3 ALA 102 16.875 -5.343 2.393 679 H SER 103 H SER 103 17.247 -5.266 -1.485 680 HA SER 103 HA SER 103 18.130 -2.771 -2.407 681 HB2 SER 103 HB2 SER 103 18.390 -4.116 -4.616 682 HB3 SER 103 HB3 SER 103 19.318 -4.621 -3.203 683 HG SER 103 HG SER 103 18.349 -6.433 -4.062 684 H GLU 104 H GLU 104 15.448 -4.796 -3.544 685 HA GLU 104 HA GLU 104 14.408 -2.945 -5.421 686 HB2 GLU 104 HB2 GLU 104 13.947 -5.457 -5.210 687 HB3 GLU 104 HB3 GLU 104 12.828 -5.038 -3.922 688 HG2 GLU 104 HG2 GLU 104 11.569 -3.640 -5.515 689 HG3 GLU 104 HG3 GLU 104 12.663 -4.161 -6.795 690 H ALA 105 H ALA 105 13.780 -3.560 -2.012 691 HA ALA 105 HA ALA 105 11.594 -1.864 -1.628 692 HB1 ALA 105 HB1 ALA 105 12.248 -1.849 0.731 693 HB2 ALA 105 HB2 ALA 105 12.342 -3.471 0.042 694 HB3 ALA 105 HB3 ALA 105 13.815 -2.536 0.299 695 H GLY 106 H GLY 106 14.963 -1.187 -2.019 696 HA2 GLY 106 HA1 GLY 106 15.109 1.339 -0.821 697 HA3 GLY 106 HA2 GLY 106 16.174 0.748 -2.081 698 H ASN 107 H ASN 107 13.679 0.495 -3.922 699 HA ASN 107 HA ASN 107 13.879 3.299 -4.746 700 HB2 ASN 107 HB2 ASN 107 13.058 2.659 -6.920 701 HB3 ASN 107 HB3 ASN 107 14.365 1.581 -6.460 702 HD21 ASN 107 1HD2 ASN 107 10.835 1.834 -6.673 703 HD22 ASN 107 2HD2 ASN 107 10.562 0.144 -6.899 704 H TYR 108 H TYR 108 11.679 1.303 -3.131 705 HA TYR 108 HA TYR 108 9.318 2.474 -4.283 706 HB2 TYR 108 HB2 TYR 108 9.738 0.620 -1.954 707 HB3 TYR 108 HB3 TYR 108 8.164 1.103 -2.573 708 HD1 TYR 108 HD2 TYR 108 8.291 0.886 -5.390 709 HD2 TYR 108 HD1 TYR 108 10.190 -1.566 -2.487 710 HE1 TYR 108 HE2 TYR 108 8.323 -0.974 -6.991 711 HE2 TYR 108 HE1 TYR 108 10.214 -3.435 -4.075 712 HH TYR 108 HH TYR 108 9.349 -4.200 -6.039 713 H ASN 109 H ASN 109 7.595 3.299 -2.703 714 HA ASN 109 HA ASN 109 8.887 5.258 -0.921 715 HB2 ASN 109 HB2 ASN 109 6.467 5.657 -2.691 716 HB3 ASN 109 HB3 ASN 109 7.053 6.830 -1.518 717 HD21 ASN 109 1HD2 ASN 109 6.742 7.016 -4.411 718 HD22 ASN 109 2HD2 ASN 109 8.297 7.465 -5.028 719 H TYR 110 H TYR 110 8.443 4.803 1.102 720 HA TYR 110 HA TYR 110 5.745 4.015 1.936 721 HB2 TYR 110 HB2 TYR 110 7.429 2.760 3.040 722 HB3 TYR 110 HB3 TYR 110 8.466 4.149 3.233 723 HD1 TYR 110 HD1 TYR 110 5.766 5.653 4.516 724 HD2 TYR 110 HD2 TYR 110 8.136 2.217 5.332 725 HE1 TYR 110 HE1 TYR 110 5.174 5.819 6.890 726 HE2 TYR 110 HE2 TYR 110 7.535 2.364 7.709 727 HH TYR 110 HH TYR 110 5.025 4.182 8.874 728 H ILE 111 H ILE 111 4.353 5.511 2.604 729 HA ILE 111 HA ILE 111 5.320 8.261 2.591 730 HB ILE 111 HB ILE 111 2.891 8.872 2.483 731 HG12 ILE 111 2HG1 ILE 111 2.511 5.901 2.056 732 HG13 ILE 111 3HG1 ILE 111 2.004 6.772 3.494 733 HG21 ILE 111 2HG2 ILE 111 3.999 7.023 0.371 734 HG22 ILE 111 1HG2 ILE 111 4.249 8.766 0.494 735 HG23 ILE 111 3HG2 ILE 111 2.644 8.130 0.134 736 HD11 ILE 111 3HD1 ILE 111 0.962 7.175 0.686 737 HD12 ILE 111 2HD1 ILE 111 0.482 8.128 2.095 738 HD13 ILE 111 1HD1 ILE 111 0.109 6.405 2.028 739 H HIS 112 H HIS 112 5.972 9.026 4.421 740 HA HIS 112 HA HIS 112 5.264 7.974 6.964 741 HB2 HIS 112 HB2 HIS 112 7.105 9.943 5.884 742 HB3 HIS 112 HB3 HIS 112 6.393 10.479 7.401 743 HD1 HIS 112 HD1 HIS 112 7.365 9.568 9.482 744 HD2 HIS 112 HD2 HIS 112 8.518 7.396 6.118 745 HE1 HIS 112 HE1 HIS 112 9.122 7.959 10.284 746 HE2 HIS 112 HE2 HIS 112 9.956 6.820 8.209 747 H ILE 113 H ILE 113 4.006 8.760 8.559 748 HA ILE 113 HA ILE 113 1.963 10.697 7.828 749 HB ILE 113 HB ILE 113 2.311 9.232 10.457 750 HG12 ILE 113 2HG1 ILE 113 0.595 8.466 8.081 751 HG13 ILE 113 3HG1 ILE 113 2.097 7.669 8.537 752 HG21 ILE 113 2HG2 ILE 113 0.872 11.185 10.597 753 HG22 ILE 113 1HG2 ILE 113 -0.087 9.709 10.728 754 HG23 ILE 113 3HG2 ILE 113 -0.065 10.617 9.216 755 HD11 ILE 113 3HD1 ILE 113 -0.397 7.793 10.216 756 HD12 ILE 113 2HD1 ILE 113 1.102 6.964 10.639 757 HD13 ILE 113 1HD1 ILE 113 0.144 6.412 9.264 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 -24.043 10.064 9.678 2 H2 GLY 1 H2 GLY 1 -23.336 10.359 8.166 3 H3 GLY 1 H3 GLY 1 -22.520 10.806 9.586 4 HA2 GLY 1 HA2 GLY 1 -23.163 8.023 8.776 5 HA3 GLY 1 HA1 GLY 1 -21.590 8.790 8.601 6 H SER 2 H SER 2 -22.012 6.427 10.056 7 HA SER 2 HA SER 2 -20.731 7.135 12.488 8 HB2 SER 2 HB2 SER 2 -23.004 7.652 13.216 9 HB3 SER 2 HB3 SER 2 -23.563 6.069 12.673 10 HG SER 2 HG SER 2 -23.154 5.579 14.692 11 H SER 3 H SER 3 -19.425 5.532 13.041 12 HA SER 3 HA SER 3 -18.580 3.478 13.435 13 HB2 SER 3 HB2 SER 3 -21.350 2.456 12.786 14 HB3 SER 3 HB3 SER 3 -20.093 1.593 13.675 15 HG SER 3 HG SER 3 -21.341 4.026 14.471 16 H ILE 4 H ILE 4 -18.662 1.081 12.337 17 HA ILE 4 HA ILE 4 -18.006 1.577 9.511 18 HB ILE 4 HB ILE 4 -17.205 -0.829 11.165 19 HG12 ILE 4 2HG1 ILE 4 -16.329 1.209 12.238 20 HG13 ILE 4 3HG1 ILE 4 -15.035 0.252 11.528 21 HG21 ILE 4 2HG2 ILE 4 -16.027 0.332 8.639 22 HG22 ILE 4 1HG2 ILE 4 -17.059 -1.095 8.729 23 HG23 ILE 4 3HG2 ILE 4 -15.465 -1.112 9.483 24 HD11 ILE 4 3HD1 ILE 4 -16.252 2.745 10.358 25 HD12 ILE 4 2HD1 ILE 4 -14.985 1.776 9.605 26 HD13 ILE 4 1HD1 ILE 4 -14.672 2.606 11.130 27 H SER 5 H SER 5 -20.681 1.315 10.382 28 HA SER 5 HA SER 5 -21.733 -1.281 10.155 29 HB2 SER 5 HB2 SER 5 -23.113 1.343 9.535 30 HB3 SER 5 HB3 SER 5 -23.892 -0.180 9.965 31 HG SER 5 HG SER 5 -23.621 0.328 11.974 32 H HIS 6 H HIS 6 -21.590 1.380 7.783 33 HA HIS 6 HA HIS 6 -22.143 -0.418 5.595 34 HB2 HIS 6 HB2 HIS 6 -21.212 2.463 5.656 35 HB3 HIS 6 HB3 HIS 6 -21.482 1.565 4.169 36 HD1 HIS 6 HD1 HIS 6 -23.868 1.342 3.346 37 HD2 HIS 6 HD2 HIS 6 -23.588 3.070 7.121 38 HE1 HIS 6 HE1 HIS 6 -26.160 2.247 3.853 39 HE2 HIS 6 HE2 HIS 6 -25.953 3.351 6.109 40 H SER 7 H SER 7 -19.401 1.755 6.147 41 HA SER 7 HA SER 7 -17.462 -0.220 6.485 42 HB2 SER 7 HB2 SER 7 -17.880 -0.711 4.089 43 HB3 SER 7 HB3 SER 7 -17.524 0.969 3.689 44 HG SER 7 HG SER 7 -15.828 -1.083 4.014 45 H GLY 8 H GLY 8 -15.315 0.716 6.647 46 HA2 GLY 8 HA1 GLY 8 -15.415 3.617 7.120 47 HA3 GLY 8 HA2 GLY 8 -14.208 2.511 7.769 48 H ASN 9 H ASN 9 -14.865 1.752 4.611 49 HA ASN 9 HA ASN 9 -12.484 3.215 3.691 50 HB2 ASN 9 HB2 ASN 9 -12.415 0.668 3.841 51 HB3 ASN 9 HB3 ASN 9 -13.586 0.658 2.527 52 HD21 ASN 9 1HD2 ASN 9 -10.809 -0.302 2.733 53 HD22 ASN 9 2HD2 ASN 9 -9.976 0.436 1.412 54 H LEU 10 H LEU 10 -12.600 4.366 1.801 55 HA LEU 10 HA LEU 10 -15.313 4.905 0.854 56 HB2 LEU 10 HB2 LEU 10 -12.722 6.354 0.391 57 HB3 LEU 10 HB3 LEU 10 -14.297 6.910 -0.144 58 HG LEU 10 HG LEU 10 -13.396 6.616 2.724 59 HD11 LEU 10 2HD1 LEU 10 -12.401 8.525 1.583 60 HD12 LEU 10 1HD1 LEU 10 -13.577 9.047 2.788 61 HD13 LEU 10 3HD1 LEU 10 -14.000 9.066 1.076 62 HD21 LEU 10 3HD2 LEU 10 -15.764 6.087 2.487 63 HD22 LEU 10 2HD2 LEU 10 -16.023 7.599 1.617 64 HD23 LEU 10 1HD2 LEU 10 -15.540 7.630 3.313 65 H TYR 11 H TYR 11 -12.735 3.008 -0.105 66 HA TYR 11 HA TYR 11 -12.890 3.689 -2.926 67 HB2 TYR 11 HB2 TYR 11 -10.800 2.910 -1.433 68 HB3 TYR 11 HB3 TYR 11 -11.309 1.335 -2.034 69 HD1 TYR 11 HD1 TYR 11 -10.299 4.732 -3.111 70 HD2 TYR 11 HD2 TYR 11 -10.750 0.655 -4.230 71 HE1 TYR 11 HE1 TYR 11 -9.110 5.188 -5.211 72 HE2 TYR 11 HE2 TYR 11 -9.566 1.098 -6.341 73 HH TYR 11 HH TYR 11 -9.050 2.993 -7.820 74 H THR 12 H THR 12 -12.452 1.191 -4.072 75 HA THR 12 HA THR 12 -15.147 0.453 -4.543 76 HB THR 12 HB THR 12 -12.750 -1.135 -5.446 77 HG1 THR 12 HG1 THR 12 -13.656 1.412 -6.366 78 HG21 THR 12 3HG2 THR 12 -14.068 -1.454 -7.470 79 HG22 THR 12 1HG2 THR 12 -15.352 -0.433 -6.818 80 HG23 THR 12 2HG2 THR 12 -14.980 -1.978 -6.055 81 H ALA 13 H ALA 13 -12.915 -2.176 -4.376 82 HA ALA 13 HA ALA 13 -13.561 -3.241 -1.867 83 HB1 ALA 13 HB1 ALA 13 -15.795 -3.514 -2.837 84 HB2 ALA 13 HB2 ALA 13 -15.102 -4.425 -4.179 85 HB3 ALA 13 HB3 ALA 13 -15.033 -5.077 -2.542 86 H GLY 14 H GLY 14 -11.904 -4.526 -1.422 87 HA2 GLY 14 HA1 GLY 14 -10.215 -6.053 -1.643 88 HA3 GLY 14 HA2 GLY 14 -11.082 -6.673 -3.037 89 H GLN 15 H GLN 15 -10.175 -3.357 -3.114 90 HA GLN 15 HA GLN 15 -8.409 -3.883 -5.343 91 HB2 GLN 15 HB2 GLN 15 -9.315 -1.320 -4.021 92 HB3 GLN 15 HB3 GLN 15 -8.224 -1.368 -5.398 93 HG2 GLN 15 HG2 GLN 15 -10.950 -2.622 -5.456 94 HG3 GLN 15 HG3 GLN 15 -10.663 -0.937 -5.888 95 HE21 GLN 15 1HE2 GLN 15 -9.965 -4.257 -6.729 96 HE22 GLN 15 2HE2 GLN 15 -9.576 -3.946 -8.381 97 H CYS 16 H CYS 16 -6.259 -2.855 -5.468 98 HA CYS 16 HA CYS 16 -4.598 -3.659 -3.360 99 HB2 CYS 16 HB2 CYS 16 -2.890 -2.152 -4.606 100 HB3 CYS 16 HB3 CYS 16 -3.543 -3.560 -5.437 101 HG CYS 16 HG CYS 16 -4.351 -2.274 -7.490 102 H THR 17 H THR 17 -5.781 -0.462 -4.311 103 HA THR 17 HA THR 17 -4.450 0.896 -2.155 104 HB THR 17 HB THR 17 -6.038 2.783 -2.824 105 HG1 THR 17 HG1 THR 17 -7.094 2.439 -4.850 106 HG21 THR 17 3HG2 THR 17 -4.282 1.607 -4.978 107 HG22 THR 17 1HG2 THR 17 -3.730 2.620 -3.646 108 HG23 THR 17 2HG2 THR 17 -4.811 3.286 -4.866 109 H TRP 18 H TRP 18 -7.543 -0.577 -2.706 110 HA TRP 18 HA TRP 18 -8.979 0.550 -0.560 111 HB2 TRP 18 HB2 TRP 18 -10.000 -0.600 -2.503 112 HB3 TRP 18 HB3 TRP 18 -9.350 -2.126 -1.923 113 HD1 TRP 18 HD1 TRP 18 -12.130 0.413 -1.240 114 HE1 TRP 18 HE1 TRP 18 -13.872 -0.701 0.288 115 HE3 TRP 18 HE3 TRP 18 -9.589 -3.877 -0.050 116 HZ2 TRP 18 HZ2 TRP 18 -14.138 -3.055 1.818 117 HZ3 TRP 18 HZ3 TRP 18 -10.663 -5.494 1.458 118 HH2 TRP 18 HH2 TRP 18 -12.888 -5.093 2.373 119 H TYR 19 H TYR 19 -7.182 -2.517 -0.877 120 HA TYR 19 HA TYR 19 -7.719 -3.460 1.720 121 HB2 TYR 19 HB2 TYR 19 -6.853 -4.872 -0.105 122 HB3 TYR 19 HB3 TYR 19 -5.315 -4.019 -0.027 123 HD1 TYR 19 HD1 TYR 19 -7.629 -5.882 2.253 124 HD2 TYR 19 HD2 TYR 19 -3.610 -5.014 1.166 125 HE1 TYR 19 HE1 TYR 19 -6.833 -7.479 3.948 126 HE2 TYR 19 HE2 TYR 19 -2.802 -6.611 2.849 127 HH TYR 19 HH TYR 19 -4.834 -8.845 4.422 128 H VAL 20 H VAL 20 -4.988 -1.592 0.442 129 HA VAL 20 HA VAL 20 -3.487 -1.396 2.777 130 HB VAL 20 HB VAL 20 -3.804 0.642 0.568 131 HG11 VAL 20 2HG1 VAL 20 -1.707 0.451 2.728 132 HG12 VAL 20 1HG1 VAL 20 -2.932 1.709 2.570 133 HG13 VAL 20 3HG1 VAL 20 -1.662 1.557 1.355 134 HG21 VAL 20 3HG2 VAL 20 -1.695 -0.294 -0.258 135 HG22 VAL 20 2HG2 VAL 20 -2.964 -1.515 -0.196 136 HG23 VAL 20 1HG2 VAL 20 -1.711 -1.479 1.045 137 H TYR 21 H TYR 21 -6.106 0.707 1.614 138 HA TYR 21 HA TYR 21 -5.989 2.535 3.759 139 HB2 TYR 21 HB2 TYR 21 -7.134 2.901 1.539 140 HB3 TYR 21 HB3 TYR 21 -8.436 1.867 2.115 141 HD1 TYR 21 HD1 TYR 21 -6.524 4.890 3.161 142 HD2 TYR 21 HD2 TYR 21 -10.254 2.859 3.124 143 HE1 TYR 21 HE1 TYR 21 -7.576 6.831 4.232 144 HE2 TYR 21 HE2 TYR 21 -11.328 4.793 4.187 145 HH TYR 21 HH TYR 21 -10.745 6.707 5.557 146 H ASP 22 H ASP 22 -7.651 -0.518 3.324 147 HA ASP 22 HA ASP 22 -9.328 -0.292 5.615 148 HB2 ASP 22 HB2 ASP 22 -9.797 -1.842 3.734 149 HB3 ASP 22 HB3 ASP 22 -8.387 -2.793 4.189 150 H LYS 23 H LYS 23 -6.178 -1.788 5.012 151 HA LYS 23 HA LYS 23 -5.852 -3.029 7.507 152 HB2 LYS 23 HB2 LYS 23 -3.755 -1.940 5.623 153 HB3 LYS 23 HB3 LYS 23 -3.430 -3.025 6.968 154 HG2 LYS 23 HG2 LYS 23 -5.274 -3.719 4.702 155 HG3 LYS 23 HG3 LYS 23 -3.551 -4.095 4.708 156 HD2 LYS 23 HD2 LYS 23 -5.434 -4.979 6.885 157 HD3 LYS 23 HD3 LYS 23 -5.086 -5.954 5.454 158 HE2 LYS 23 HE2 LYS 23 -2.614 -5.640 6.101 159 HE3 LYS 23 HE3 LYS 23 -3.237 -5.128 7.671 160 HZ1 LYS 23 HZ1 LYS 23 -2.677 -7.502 7.587 161 HZ2 LYS 23 HZ2 LYS 23 -3.846 -7.731 6.378 162 HZ3 LYS 23 HZ3 LYS 23 -4.319 -7.242 7.931 163 H VAL 24 H VAL 24 -5.014 0.241 6.428 164 HA VAL 24 HA VAL 24 -3.731 0.886 8.922 165 HB VAL 24 HB VAL 24 -3.561 3.171 8.071 166 HG11 VAL 24 2HG1 VAL 24 -1.869 1.563 7.413 167 HG12 VAL 24 1HG1 VAL 24 -2.167 2.711 6.108 168 HG13 VAL 24 3HG1 VAL 24 -2.839 1.083 6.020 169 HG21 VAL 24 3HG2 VAL 24 -4.383 3.772 5.856 170 HG22 VAL 24 2HG2 VAL 24 -5.713 3.309 6.917 171 HG23 VAL 24 1HG2 VAL 24 -5.130 2.183 5.690 172 H GLY 25 H GLY 25 -6.867 0.402 8.194 173 HA2 GLY 25 HA1 GLY 25 -8.772 0.790 9.426 174 HA3 GLY 25 HA2 GLY 25 -7.780 1.642 10.598 175 H GLY 26 H GLY 26 -7.927 2.498 7.206 176 HA2 GLY 26 HA1 GLY 26 -8.613 4.415 6.152 177 HA3 GLY 26 HA2 GLY 26 -9.943 4.438 7.302 178 H GLU 27 H GLU 27 -6.474 4.733 7.910 179 HA GLU 27 HA GLU 27 -7.057 7.145 9.449 180 HB2 GLU 27 HB2 GLU 27 -5.917 5.270 10.573 181 HB3 GLU 27 HB3 GLU 27 -4.588 5.402 9.432 182 HG2 GLU 27 HG2 GLU 27 -3.895 7.462 10.313 183 HG3 GLU 27 HG3 GLU 27 -5.410 7.687 11.187 184 H ILE 28 H ILE 28 -5.267 6.074 6.638 185 HA ILE 28 HA ILE 28 -4.420 8.848 6.239 186 HB ILE 28 HB ILE 28 -2.232 8.442 6.143 187 HG12 ILE 28 2HG1 ILE 28 -2.784 7.180 3.907 188 HG13 ILE 28 3HG1 ILE 28 -1.183 7.044 4.625 189 HG21 ILE 28 2HG2 ILE 28 -2.956 5.715 7.192 190 HG22 ILE 28 1HG2 ILE 28 -2.737 7.180 8.150 191 HG23 ILE 28 3HG2 ILE 28 -1.366 6.469 7.298 192 HD11 ILE 28 3HD1 ILE 28 -3.413 5.025 4.747 193 HD12 ILE 28 2HD1 ILE 28 -1.887 4.883 5.620 194 HD13 ILE 28 1HD1 ILE 28 -1.894 4.895 3.855 195 H GLY 29 H GLY 29 -4.646 9.629 4.224 196 HA2 GLY 29 HA1 GLY 29 -4.786 9.731 1.949 197 HA3 GLY 29 HA2 GLY 29 -4.137 8.104 1.915 198 H SER 30 H SER 30 -7.215 9.814 2.567 199 HA SER 30 HA SER 30 -8.589 7.616 1.198 200 HB2 SER 30 HB2 SER 30 -10.172 9.981 1.960 201 HB3 SER 30 HB3 SER 30 -10.478 8.277 2.265 202 HG SER 30 HG SER 30 -9.486 8.394 4.134 203 H THR 31 H THR 31 -6.940 10.345 0.468 204 HA THR 31 HA THR 31 -8.519 10.894 -1.957 205 HB THR 31 HB THR 31 -7.489 13.198 -1.838 206 HG1 THR 31 HG1 THR 31 -7.014 13.437 0.702 207 HG21 THR 31 3HG2 THR 31 -9.028 14.020 -0.113 208 HG22 THR 31 1HG2 THR 31 -9.243 12.374 0.480 209 HG23 THR 31 2HG2 THR 31 -9.803 12.810 -1.136 210 H TRP 32 H TRP 32 -5.969 9.168 -1.206 211 HA TRP 32 HA TRP 32 -3.852 10.446 -2.607 212 HB2 TRP 32 HB2 TRP 32 -2.605 8.368 -2.348 213 HB3 TRP 32 HB3 TRP 32 -3.355 8.857 -0.834 214 HD1 TRP 32 HD1 TRP 32 -5.194 6.978 -3.606 215 HE1 TRP 32 HE1 TRP 32 -5.910 4.711 -2.718 216 HE3 TRP 32 HE3 TRP 32 -2.831 7.122 0.907 217 HZ2 TRP 32 HZ2 TRP 32 -5.541 3.134 -0.385 218 HZ3 TRP 32 HZ3 TRP 32 -3.057 5.180 2.416 219 HH2 TRP 32 HH2 TRP 32 -4.382 3.229 1.777 220 H GLY 33 H GLY 33 -6.580 8.799 -3.670 221 HA2 GLY 33 HA1 GLY 33 -7.238 8.508 -5.893 222 HA3 GLY 33 HA2 GLY 33 -5.580 8.827 -6.379 223 H ASN 34 H ASN 34 -4.533 7.214 -7.202 224 HA ASN 34 HA ASN 34 -5.099 4.517 -6.219 225 HB2 ASN 34 HB2 ASN 34 -4.657 3.753 -8.610 226 HB3 ASN 34 HB3 ASN 34 -6.200 4.539 -8.308 227 HD21 ASN 34 1HD2 ASN 34 -3.120 4.807 -9.865 228 HD22 ASN 34 2HD2 ASN 34 -3.476 6.215 -10.807 229 H ALA 35 H ALA 35 -3.261 3.041 -7.316 230 HA ALA 35 HA ALA 35 -1.100 3.459 -5.676 231 HB1 ALA 35 HB1 ALA 35 -1.751 1.309 -6.633 232 HB2 ALA 35 HB2 ALA 35 -1.145 1.832 -8.204 233 HB3 ALA 35 HB3 ALA 35 -0.031 1.636 -6.852 234 H ASN 36 H ASN 36 -1.504 4.645 -8.932 235 HA ASN 36 HA ASN 36 1.291 5.140 -9.395 236 HB2 ASN 36 HB2 ASN 36 -0.333 4.637 -11.208 237 HB3 ASN 36 HB3 ASN 36 -1.124 6.180 -10.895 238 HD21 ASN 36 1HD2 ASN 36 1.637 4.590 -12.238 239 HD22 ASN 36 2HD2 ASN 36 2.297 5.970 -13.041 240 H ASN 37 H ASN 37 -1.390 6.870 -8.102 241 HA ASN 37 HA ASN 37 -0.069 9.462 -8.460 242 HB2 ASN 37 HB2 ASN 37 -2.425 9.027 -9.297 243 HB3 ASN 37 HB3 ASN 37 -2.919 8.895 -7.618 244 HD21 ASN 37 1HD2 ASN 37 -3.211 10.708 -6.428 245 HD22 ASN 37 2HD2 ASN 37 -3.101 12.311 -7.076 246 H TRP 38 H TRP 38 0.187 7.192 -6.336 247 HA TRP 38 HA TRP 38 -0.872 8.000 -3.906 248 HB2 TRP 38 HB2 TRP 38 1.020 6.030 -4.812 249 HB3 TRP 38 HB3 TRP 38 1.546 6.757 -3.285 250 HD1 TRP 38 HD1 TRP 38 -2.011 5.767 -4.470 251 HE1 TRP 38 HE1 TRP 38 -3.032 4.301 -2.652 252 HE3 TRP 38 HE3 TRP 38 1.997 5.518 -1.320 253 HZ2 TRP 38 HZ2 TRP 38 -2.223 3.192 -0.117 254 HZ3 TRP 38 HZ3 TRP 38 1.793 4.241 0.761 255 HH2 TRP 38 HH2 TRP 38 -0.263 3.096 1.330 256 H ALA 39 H ALA 39 2.600 8.240 -4.687 257 HA ALA 39 HA ALA 39 3.296 9.683 -2.446 258 HB1 ALA 39 HB1 ALA 39 5.333 10.351 -3.683 259 HB2 ALA 39 HB2 ALA 39 4.972 8.629 -3.831 260 HB3 ALA 39 HB3 ALA 39 4.607 9.731 -5.164 261 H ALA 40 H ALA 40 2.189 10.904 -5.575 262 HA ALA 40 HA ALA 40 2.637 13.640 -5.055 263 HB1 ALA 40 HB1 ALA 40 2.281 12.720 -7.304 264 HB2 ALA 40 HB2 ALA 40 0.597 12.397 -6.893 265 HB3 ALA 40 HB3 ALA 40 1.187 14.057 -6.953 266 H ALA 41 H ALA 41 -0.375 11.719 -4.868 267 HA ALA 41 HA ALA 41 -1.954 13.832 -3.839 268 HB1 ALA 41 HB1 ALA 41 -2.914 11.887 -4.970 269 HB2 ALA 41 HB2 ALA 41 -2.411 10.852 -3.632 270 HB3 ALA 41 HB3 ALA 41 -3.616 12.115 -3.370 271 H ALA 42 H ALA 42 -0.126 11.241 -2.325 272 HA ALA 42 HA ALA 42 -0.966 11.601 0.328 273 HB1 ALA 42 HB1 ALA 42 1.104 10.436 0.919 274 HB2 ALA 42 HB2 ALA 42 0.270 9.649 -0.418 275 HB3 ALA 42 HB3 ALA 42 1.693 10.645 -0.731 276 H GLN 43 H GLN 43 1.723 13.076 -1.490 277 HA GLN 43 HA GLN 43 2.673 14.663 0.654 278 HB2 GLN 43 HB2 GLN 43 2.967 14.903 -2.332 279 HB3 GLN 43 HB3 GLN 43 3.725 16.029 -1.214 280 HG2 GLN 43 HG2 GLN 43 4.977 14.222 -0.200 281 HG3 GLN 43 HG3 GLN 43 4.173 13.052 -1.252 282 HE21 GLN 43 1HE2 GLN 43 7.014 13.734 -0.940 283 HE22 GLN 43 2HE2 GLN 43 7.565 14.168 -2.520 284 H GLY 44 H GLY 44 0.282 15.202 -1.884 285 HA2 GLY 44 HA1 GLY 44 -0.248 17.914 -1.332 286 HA3 GLY 44 HA2 GLY 44 -1.376 16.783 -2.070 287 H ALA 45 H ALA 45 -1.543 14.947 0.078 288 HA ALA 45 HA ALA 45 -3.399 16.278 1.799 289 HB1 ALA 45 HB1 ALA 45 -3.712 13.943 1.135 290 HB2 ALA 45 HB2 ALA 45 -2.236 13.498 1.990 291 HB3 ALA 45 HB3 ALA 45 -3.628 14.097 2.890 292 H GLY 46 H GLY 46 -0.060 15.240 2.044 293 HA2 GLY 46 HA1 GLY 46 1.346 16.708 3.432 294 HA3 GLY 46 HA2 GLY 46 0.079 16.635 4.646 295 H PHE 47 H PHE 47 1.538 14.014 2.731 296 HA PHE 47 HA PHE 47 2.353 12.754 5.258 297 HB2 PHE 47 HB2 PHE 47 2.230 11.488 2.505 298 HB3 PHE 47 HB3 PHE 47 2.575 10.670 4.015 299 HD1 PHE 47 HD2 PHE 47 0.082 12.803 4.977 300 HD2 PHE 47 HD1 PHE 47 0.681 9.404 2.488 301 HE1 PHE 47 HE2 PHE 47 -2.303 12.227 5.183 302 HE2 PHE 47 HE1 PHE 47 -1.698 8.814 2.674 303 HZ PHE 47 HZ PHE 47 -3.196 10.242 4.027 304 H THR 48 H THR 48 4.481 12.395 5.700 305 HA THR 48 HA THR 48 6.482 13.531 3.954 306 HB THR 48 HB THR 48 6.989 11.841 6.406 307 HG1 THR 48 HG1 THR 48 6.140 14.542 6.171 308 HG21 THR 48 3HG2 THR 48 8.559 14.070 5.105 309 HG22 THR 48 1HG2 THR 48 8.932 12.350 5.013 310 HG23 THR 48 2HG2 THR 48 9.028 13.192 6.561 311 H VAL 49 H VAL 49 7.020 12.371 2.156 312 HA VAL 49 HA VAL 49 6.991 9.461 2.411 313 HB VAL 49 HB VAL 49 6.521 9.241 0.226 314 HG11 VAL 49 2HG1 VAL 49 5.136 11.050 -0.659 315 HG12 VAL 49 1HG1 VAL 49 5.753 12.124 0.597 316 HG13 VAL 49 3HG1 VAL 49 4.796 10.709 1.039 317 HG21 VAL 49 3HG2 VAL 49 8.592 9.958 -0.691 318 HG22 VAL 49 2HG2 VAL 49 8.220 11.653 -0.365 319 HG23 VAL 49 1HG2 VAL 49 7.305 10.769 -1.585 320 H ASN 50 H ASN 50 8.714 8.269 2.441 321 HA ASN 50 HA ASN 50 11.244 9.315 1.363 322 HB2 ASN 50 HB2 ASN 50 11.061 7.132 3.454 323 HB3 ASN 50 HB3 ASN 50 12.483 8.035 2.959 324 HD21 ASN 50 1HD2 ASN 50 11.088 7.507 5.565 325 HD22 ASN 50 2HD2 ASN 50 10.896 9.068 6.285 326 H HIS 51 H HIS 51 12.172 6.439 1.798 327 HA HIS 51 HA HIS 51 10.214 4.824 0.527 328 HB2 HIS 51 HB2 HIS 51 11.977 4.172 -1.356 329 HB3 HIS 51 HB3 HIS 51 10.801 5.454 -1.589 330 HD1 HIS 51 HD1 HIS 51 11.726 7.557 -2.451 331 HD2 HIS 51 HD2 HIS 51 14.605 5.304 -0.467 332 HE1 HIS 51 HE1 HIS 51 13.893 8.802 -2.755 333 HE2 HIS 51 HE2 HIS 51 15.640 7.319 -1.711 334 H THR 52 H THR 52 10.464 3.654 2.367 335 HA THR 52 HA THR 52 12.391 1.540 2.240 336 HB THR 52 HB THR 52 12.465 3.420 4.628 337 HG1 THR 52 HG1 THR 52 13.845 3.453 2.358 338 HG21 THR 52 3HG2 THR 52 14.169 1.934 5.530 339 HG22 THR 52 1HG2 THR 52 14.012 0.869 4.133 340 HG23 THR 52 2HG2 THR 52 12.670 1.043 5.265 341 HA PRO 53 HA PRO 53 8.351 0.028 3.795 342 HB2 PRO 53 HB2 PRO 53 9.203 -2.610 3.747 343 HB3 PRO 53 HB3 PRO 53 8.423 -1.772 2.401 344 HG2 PRO 53 HG2 PRO 53 11.333 -2.246 2.909 345 HG3 PRO 53 HG3 PRO 53 10.429 -2.359 1.386 346 HD2 PRO 53 HD2 PRO 53 11.945 -0.234 1.903 347 HD3 PRO 53 HD3 PRO 53 10.359 -0.050 1.113 348 H SER 54 H SER 54 7.710 -0.608 5.827 349 HA SER 54 HA SER 54 9.618 -1.601 7.757 350 HB2 SER 54 HB2 SER 54 8.342 1.124 8.135 351 HB3 SER 54 HB3 SER 54 9.333 0.278 9.321 352 HG SER 54 HG SER 54 10.682 0.392 7.025 353 H LYS 55 H LYS 55 8.572 -2.202 9.782 354 HA LYS 55 HA LYS 55 6.083 -3.452 9.328 355 HB2 LYS 55 HB2 LYS 55 7.712 -4.364 10.898 356 HB3 LYS 55 HB3 LYS 55 7.593 -2.930 11.903 357 HG2 LYS 55 HG2 LYS 55 5.216 -3.492 12.328 358 HG3 LYS 55 HG3 LYS 55 5.457 -4.992 11.436 359 HD2 LYS 55 HD2 LYS 55 7.118 -4.225 13.827 360 HD3 LYS 55 HD3 LYS 55 5.621 -5.143 13.960 361 HE2 LYS 55 HE2 LYS 55 7.153 -6.846 13.896 362 HE3 LYS 55 HE3 LYS 55 6.773 -6.690 12.184 363 HZ1 LYS 55 HZ1 LYS 55 9.164 -5.631 13.594 364 HZ2 LYS 55 HZ2 LYS 55 8.785 -5.256 11.987 365 HZ3 LYS 55 HZ3 LYS 55 9.122 -6.858 12.425 366 H GLY 56 H GLY 56 4.337 -2.190 8.941 367 HA2 GLY 56 HA1 GLY 56 2.468 -1.146 10.114 368 HA3 GLY 56 HA2 GLY 56 3.649 -0.213 11.025 369 H ALA 57 H ALA 57 4.833 -0.326 7.971 370 HA ALA 57 HA ALA 57 3.525 2.217 7.274 371 HB1 ALA 57 HB1 ALA 57 5.958 2.349 7.617 372 HB2 ALA 57 HB2 ALA 57 6.190 1.177 6.321 373 HB3 ALA 57 HB3 ALA 57 5.489 2.759 5.964 374 H ILE 58 H ILE 58 4.432 2.245 4.577 375 HA ILE 58 HA ILE 58 2.794 0.097 3.422 376 HB ILE 58 HB ILE 58 2.609 2.885 2.332 377 HG12 ILE 58 2HG1 ILE 58 0.637 1.883 4.360 378 HG13 ILE 58 3HG1 ILE 58 2.093 2.712 4.898 379 HG21 ILE 58 2HG2 ILE 58 1.674 1.134 0.992 380 HG22 ILE 58 1HG2 ILE 58 0.345 2.040 1.713 381 HG23 ILE 58 3HG2 ILE 58 0.805 0.471 2.376 382 HD11 ILE 58 3HD1 ILE 58 0.283 4.266 4.797 383 HD12 ILE 58 2HD1 ILE 58 -0.077 3.812 3.133 384 HD13 ILE 58 1HD1 ILE 58 1.427 4.649 3.511 385 H LEU 59 H LEU 59 2.999 0.281 0.897 386 HA LEU 59 HA LEU 59 5.795 0.829 0.156 387 HB2 LEU 59 HB2 LEU 59 5.108 -1.626 0.661 388 HB3 LEU 59 HB3 LEU 59 4.223 -1.537 -0.843 389 HG LEU 59 HG LEU 59 6.506 -0.801 -1.829 390 HD11 LEU 59 2HD1 LEU 59 7.344 -2.203 0.699 391 HD12 LEU 59 1HD1 LEU 59 7.686 -0.532 0.249 392 HD13 LEU 59 3HD1 LEU 59 8.403 -1.856 -0.669 393 HD21 LEU 59 3HD2 LEU 59 5.922 -3.633 -0.985 394 HD22 LEU 59 2HD2 LEU 59 7.058 -3.152 -2.248 395 HD23 LEU 59 1HD2 LEU 59 5.336 -2.827 -2.442 396 H GLN 60 H GLN 60 6.047 1.618 -1.995 397 HA GLN 60 HA GLN 60 3.715 1.690 -3.724 398 HB2 GLN 60 HB2 GLN 60 3.494 3.607 -2.107 399 HB3 GLN 60 HB3 GLN 60 4.962 4.278 -2.791 400 HG2 GLN 60 HG2 GLN 60 2.617 3.668 -4.538 401 HG3 GLN 60 HG3 GLN 60 2.659 5.138 -3.574 402 HE21 GLN 60 1HE2 GLN 60 2.604 4.841 -6.446 403 HE22 GLN 60 2HE2 GLN 60 4.021 5.632 -7.049 404 H SER 61 H SER 61 4.170 1.779 -5.785 405 HA SER 61 HA SER 61 6.633 3.007 -6.738 406 HB2 SER 61 HB2 SER 61 7.129 0.567 -6.523 407 HB3 SER 61 HB3 SER 61 5.766 0.223 -7.585 408 HG SER 61 HG SER 61 8.136 1.664 -8.224 409 H SER 62 H SER 62 6.333 3.978 -8.765 410 HA SER 62 HA SER 62 3.553 4.299 -9.494 411 HB2 SER 62 HB2 SER 62 6.044 5.651 -10.548 412 HB3 SER 62 HB3 SER 62 4.388 6.106 -10.954 413 HG SER 62 HG SER 62 4.498 7.306 -9.243 414 H GLU 63 H GLU 63 6.119 2.340 -10.516 415 HA GLU 63 HA GLU 63 5.395 2.194 -13.288 416 HB2 GLU 63 HB2 GLU 63 7.083 0.327 -11.613 417 HB3 GLU 63 HB3 GLU 63 6.936 0.265 -13.364 418 HG2 GLU 63 HG2 GLU 63 7.837 2.611 -13.411 419 HG3 GLU 63 HG3 GLU 63 8.190 2.420 -11.693 420 H GLY 64 H GLY 64 4.723 0.088 -14.283 421 HA2 GLY 64 HA1 GLY 64 3.621 -2.057 -13.971 422 HA3 GLY 64 HA2 GLY 64 2.854 -1.388 -12.537 423 HA PRO 65 HA PRO 65 -0.304 -0.686 -15.753 424 HB2 PRO 65 HB2 PRO 65 -2.356 -1.312 -13.918 425 HB3 PRO 65 HB3 PRO 65 -1.729 -2.361 -15.188 426 HG2 PRO 65 HG2 PRO 65 -1.475 -2.721 -12.400 427 HG3 PRO 65 HG3 PRO 65 -0.677 -3.657 -13.672 428 HD2 PRO 65 HD2 PRO 65 0.394 -1.490 -11.967 429 HD3 PRO 65 HD3 PRO 65 1.248 -2.810 -12.793 430 H PHE 66 H PHE 66 -1.678 -0.175 -12.555 431 HA PHE 66 HA PHE 66 -1.686 2.707 -12.907 432 HB2 PHE 66 HB2 PHE 66 -2.451 1.057 -10.473 433 HB3 PHE 66 HB3 PHE 66 -2.766 2.771 -10.703 434 HD1 PHE 66 HD2 PHE 66 -3.704 -0.626 -11.731 435 HD2 PHE 66 HD1 PHE 66 -4.610 3.526 -12.011 436 HE1 PHE 66 HE2 PHE 66 -5.903 -1.171 -12.696 437 HE2 PHE 66 HE1 PHE 66 -6.809 2.985 -12.968 438 HZ PHE 66 HZ PHE 66 -7.458 0.634 -13.312 439 H GLY 67 H GLY 67 -0.565 0.500 -10.378 440 HA2 GLY 67 HA1 GLY 67 2.101 1.383 -10.378 441 HA3 GLY 67 HA2 GLY 67 1.199 2.249 -9.136 442 H HIS 68 H HIS 68 2.495 1.198 -7.542 443 HA HIS 68 HA HIS 68 1.498 -1.499 -6.915 444 HB2 HIS 68 HB2 HIS 68 4.384 -0.594 -6.846 445 HB3 HIS 68 HB3 HIS 68 3.802 -2.041 -6.031 446 HD1 HIS 68 HD1 HIS 68 4.289 -0.652 -9.522 447 HD2 HIS 68 HD2 HIS 68 3.558 -4.270 -7.605 448 HE1 HIS 68 HE1 HIS 68 4.602 -2.420 -11.273 449 HE2 HIS 68 HE2 HIS 68 3.951 -4.573 -10.147 450 H VAL 69 H VAL 69 0.132 -0.523 -5.259 451 HA VAL 69 HA VAL 69 1.766 0.380 -3.001 452 HB VAL 69 HB VAL 69 -0.214 1.471 -2.091 453 HG11 VAL 69 2HG1 VAL 69 -0.379 3.260 -3.763 454 HG12 VAL 69 1HG1 VAL 69 0.393 2.206 -4.948 455 HG13 VAL 69 3HG1 VAL 69 1.283 2.726 -3.516 456 HG21 VAL 69 3HG2 VAL 69 -1.591 0.619 -4.640 457 HG22 VAL 69 2HG2 VAL 69 -2.254 1.713 -3.423 458 HG23 VAL 69 1HG2 VAL 69 -1.950 0.022 -3.020 459 H ALA 70 H ALA 70 2.004 -0.933 -1.426 460 HA ALA 70 HA ALA 70 -0.035 -2.961 -0.851 461 HB1 ALA 70 HB1 ALA 70 1.712 -4.649 -0.543 462 HB2 ALA 70 HB2 ALA 70 1.708 -4.038 -2.198 463 HB3 ALA 70 HB3 ALA 70 2.933 -3.485 -1.056 464 H TYR 71 H TYR 71 -0.382 -3.238 1.288 465 HA TYR 71 HA TYR 71 0.876 -1.380 3.075 466 HB2 TYR 71 HB2 TYR 71 -1.407 -1.680 3.492 467 HB3 TYR 71 HB3 TYR 71 -1.302 -3.434 3.338 468 HD1 TYR 71 HD1 TYR 71 -0.691 -0.571 5.577 469 HD2 TYR 71 HD2 TYR 71 -0.648 -4.809 5.174 470 HE1 TYR 71 HE1 TYR 71 -0.498 -0.793 8.021 471 HE2 TYR 71 HE2 TYR 71 -0.460 -5.038 7.617 472 HH TYR 71 HH TYR 71 -1.121 -2.635 9.759 473 H VAL 72 H VAL 72 2.491 -1.747 4.469 474 HA VAL 72 HA VAL 72 3.875 -4.309 4.238 475 HB VAL 72 HB VAL 72 4.816 -1.762 5.566 476 HG11 VAL 72 2HG1 VAL 72 6.297 -4.238 4.687 477 HG12 VAL 72 1HG1 VAL 72 6.018 -3.700 6.348 478 HG13 VAL 72 3HG1 VAL 72 7.056 -2.759 5.274 479 HG21 VAL 72 3HG2 VAL 72 4.364 -1.330 3.222 480 HG22 VAL 72 2HG2 VAL 72 5.311 -2.748 2.759 481 HG23 VAL 72 1HG2 VAL 72 6.105 -1.366 3.513 482 H GLU 73 H GLU 73 3.422 -5.802 5.713 483 HA GLU 73 HA GLU 73 2.269 -5.003 8.242 484 HB2 GLU 73 HB2 GLU 73 2.792 -7.765 7.123 485 HB3 GLU 73 HB3 GLU 73 1.914 -7.415 8.608 486 HG2 GLU 73 HG2 GLU 73 0.357 -6.016 7.155 487 HG3 GLU 73 HG3 GLU 73 1.113 -6.817 5.782 488 H SER 74 H SER 74 5.328 -6.068 7.001 489 HA SER 74 HA SER 74 6.675 -5.427 9.395 490 HB2 SER 74 HB2 SER 74 5.629 -7.558 10.152 491 HB3 SER 74 HB3 SER 74 6.460 -8.399 8.844 492 HG SER 74 HG SER 74 7.691 -8.610 10.688 493 H VAL 75 H VAL 75 8.850 -5.228 9.034 494 HA VAL 75 HA VAL 75 9.913 -6.417 6.568 495 HB VAL 75 HB VAL 75 10.198 -4.025 6.491 496 HG11 VAL 75 2HG1 VAL 75 10.003 -3.523 8.863 497 HG12 VAL 75 1HG1 VAL 75 11.445 -2.774 8.174 498 HG13 VAL 75 3HG1 VAL 75 11.592 -4.233 9.156 499 HG21 VAL 75 3HG2 VAL 75 12.802 -5.394 7.171 500 HG22 VAL 75 2HG2 VAL 75 12.656 -3.847 6.335 501 HG23 VAL 75 1HG2 VAL 75 12.035 -5.319 5.585 502 H ASN 76 H ASN 76 11.359 -8.015 6.781 503 HA ASN 76 HA ASN 76 11.788 -8.959 9.472 504 HB2 ASN 76 HB2 ASN 76 12.554 -10.209 6.827 505 HB3 ASN 76 HB3 ASN 76 12.664 -10.997 8.398 506 HD21 ASN 76 1HD2 ASN 76 10.601 -9.984 5.843 507 HD22 ASN 76 2HD2 ASN 76 9.151 -10.752 6.410 508 H SER 77 H SER 77 13.855 -9.539 10.333 509 HA SER 77 HA SER 77 15.893 -7.634 9.856 510 HB2 SER 77 HB2 SER 77 17.214 -9.292 11.371 511 HB3 SER 77 HB3 SER 77 15.823 -8.446 12.046 512 HG SER 77 HG SER 77 15.984 -11.129 11.141 513 H ASP 78 H ASP 78 15.096 -10.602 8.413 514 HA ASP 78 HA ASP 78 17.564 -11.405 7.325 515 HB2 ASP 78 HB2 ASP 78 15.702 -12.894 7.218 516 HB3 ASP 78 HB3 ASP 78 14.704 -11.702 6.399 517 H GLY 79 H GLY 79 15.456 -8.768 6.585 518 HA2 GLY 79 HA1 GLY 79 16.216 -6.947 5.200 519 HA3 GLY 79 HA2 GLY 79 17.079 -8.118 4.212 520 H SER 80 H SER 80 14.735 -9.958 4.399 521 HA SER 80 HA SER 80 13.264 -8.986 2.151 522 HB2 SER 80 HB2 SER 80 12.690 -11.365 3.937 523 HB3 SER 80 HB3 SER 80 11.962 -11.043 2.363 524 HG SER 80 HG SER 80 14.648 -11.720 2.971 525 H VAL 81 H VAL 81 11.206 -8.194 2.077 526 HA VAL 81 HA VAL 81 10.132 -7.288 4.665 527 HB VAL 81 HB VAL 81 9.636 -6.081 1.941 528 HG11 VAL 81 2HG1 VAL 81 7.853 -5.641 3.518 529 HG12 VAL 81 1HG1 VAL 81 8.781 -4.172 3.216 530 HG13 VAL 81 3HG1 VAL 81 9.022 -5.073 4.712 531 HG21 VAL 81 3HG2 VAL 81 11.519 -5.180 4.117 532 HG22 VAL 81 2HG2 VAL 81 11.164 -4.300 2.630 533 HG23 VAL 81 1HG2 VAL 81 11.982 -5.862 2.558 534 H THR 82 H THR 82 8.144 -7.851 5.274 535 HA THR 82 HA THR 82 6.631 -9.623 3.511 536 HB THR 82 HB THR 82 6.447 -9.111 6.492 537 HG1 THR 82 HG1 THR 82 6.997 -11.644 5.775 538 HG21 THR 82 3HG2 THR 82 4.906 -11.036 6.536 539 HG22 THR 82 1HG2 THR 82 4.927 -11.083 4.774 540 HG23 THR 82 2HG2 THR 82 4.245 -9.689 5.611 541 H ILE 83 H ILE 83 5.113 -8.671 2.323 542 HA ILE 83 HA ILE 83 3.561 -6.464 3.508 543 HB ILE 83 HB ILE 83 3.299 -5.531 1.235 544 HG12 ILE 83 2HG1 ILE 83 5.443 -7.517 0.450 545 HG13 ILE 83 3HG1 ILE 83 3.741 -7.668 0.027 546 HG21 ILE 83 2HG2 ILE 83 5.535 -4.562 1.062 547 HG22 ILE 83 1HG2 ILE 83 6.159 -5.807 2.145 548 HG23 ILE 83 3HG2 ILE 83 4.986 -4.628 2.736 549 HD11 ILE 83 3HD1 ILE 83 5.605 -5.471 -0.836 550 HD12 ILE 83 2HD1 ILE 83 3.889 -5.570 -1.230 551 HD13 ILE 83 1HD1 ILE 83 5.003 -6.795 -1.834 552 H SER 84 H SER 84 1.405 -6.209 2.621 553 HA SER 84 HA SER 84 0.330 -8.590 1.304 554 HB2 SER 84 HB2 SER 84 -0.782 -7.288 3.795 555 HB3 SER 84 HB3 SER 84 -1.686 -8.436 2.807 556 HG SER 84 HG SER 84 0.000 -8.993 4.743 557 H GLU 85 H GLU 85 -0.485 -7.978 -0.503 558 HA GLU 85 HA GLU 85 -2.043 -5.490 -0.681 559 HB2 GLU 85 HB2 GLU 85 -1.302 -5.446 -3.114 560 HB3 GLU 85 HB3 GLU 85 -0.058 -5.075 -1.929 561 HG2 GLU 85 HG2 GLU 85 0.838 -7.323 -2.127 562 HG3 GLU 85 HG3 GLU 85 -0.446 -7.749 -3.254 563 H MET 86 H MET 86 -4.145 -5.948 -1.056 564 HA MET 86 HA MET 86 -4.882 -8.595 -1.945 565 HB2 MET 86 HB2 MET 86 -6.127 -7.518 -0.122 566 HB3 MET 86 HB3 MET 86 -6.619 -6.236 -1.219 567 HG2 MET 86 HG2 MET 86 -7.902 -7.760 -2.538 568 HG3 MET 86 HG3 MET 86 -7.292 -9.133 -1.618 569 HE1 MET 86 HE1 MET 86 -7.415 -8.330 1.358 570 HE2 MET 86 HE2 MET 86 -9.051 -8.815 1.798 571 HE3 MET 86 HE3 MET 86 -8.087 -9.834 0.731 572 H ASN 87 H ASN 87 -5.241 -9.157 -3.945 573 HA ASN 87 HA ASN 87 -5.900 -9.182 -6.097 574 HB2 ASN 87 HB2 ASN 87 -7.952 -8.094 -5.568 575 HB3 ASN 87 HB3 ASN 87 -7.160 -6.532 -5.399 576 HD21 ASN 87 1HD2 ASN 87 -6.807 -5.303 -7.191 577 HD22 ASN 87 2HD2 ASN 87 -7.353 -5.726 -8.778 578 H TYR 88 H TYR 88 -4.840 -5.869 -5.326 579 HA TYR 88 HA TYR 88 -3.283 -4.511 -6.252 580 HB2 TYR 88 HB2 TYR 88 -1.574 -6.057 -5.890 581 HB3 TYR 88 HB3 TYR 88 -2.225 -7.206 -7.049 582 HD1 TYR 88 HD2 TYR 88 -0.923 -3.683 -7.080 583 HD2 TYR 88 HD1 TYR 88 -1.016 -7.500 -8.956 584 HE1 TYR 88 HE2 TYR 88 0.653 -2.879 -8.789 585 HE2 TYR 88 HE1 TYR 88 0.550 -6.706 -10.669 586 HH TYR 88 HH TYR 88 1.390 -4.761 -11.631 587 H SER 89 H SER 89 -3.649 -6.952 -8.800 588 HA SER 89 HA SER 89 -5.448 -5.485 -10.372 589 HB2 SER 89 HB2 SER 89 -3.421 -4.039 -10.718 590 HB3 SER 89 HB3 SER 89 -2.594 -5.433 -11.413 591 HG SER 89 HG SER 89 -5.091 -4.600 -12.429 592 H GLY 90 H GLY 90 -6.414 -7.518 -10.422 593 HA2 GLY 90 HA1 GLY 90 -6.074 -9.175 -12.532 594 HA3 GLY 90 HA2 GLY 90 -4.920 -9.810 -11.371 595 H GLY 91 H GLY 91 -5.666 -10.815 -9.474 596 HA2 GLY 91 HA1 GLY 91 -8.304 -11.999 -9.861 597 HA3 GLY 91 HA2 GLY 91 -7.065 -12.550 -8.744 598 HA PRO 92 HA PRO 92 -10.119 -8.991 -7.099 599 HB2 PRO 92 HB2 PRO 92 -12.331 -10.984 -7.141 600 HB3 PRO 92 HB3 PRO 92 -12.371 -9.244 -7.455 601 HG2 PRO 92 HG2 PRO 92 -12.545 -10.964 -9.468 602 HG3 PRO 92 HG3 PRO 92 -11.583 -9.481 -9.629 603 HD2 PRO 92 HD2 PRO 92 -10.668 -12.291 -9.141 604 HD3 PRO 92 HD3 PRO 92 -9.962 -11.042 -10.188 605 H PHE 93 H PHE 93 -9.514 -8.902 -5.086 606 HA PHE 93 HA PHE 93 -9.316 -9.262 -2.878 607 HB2 PHE 93 HB2 PHE 93 -11.304 -11.470 -3.360 608 HB3 PHE 93 HB3 PHE 93 -10.650 -11.055 -1.776 609 HD1 PHE 93 HD2 PHE 93 -12.640 -9.749 -4.613 610 HD2 PHE 93 HD1 PHE 93 -11.527 -9.270 -0.534 611 HE1 PHE 93 HE2 PHE 93 -14.390 -8.045 -4.339 612 HE2 PHE 93 HE1 PHE 93 -13.276 -7.565 -0.253 613 HZ PHE 93 HZ PHE 93 -14.710 -6.950 -2.158 614 H SER 94 H SER 94 -8.066 -11.245 -5.138 615 HA SER 94 HA SER 94 -6.941 -13.234 -3.431 616 HB2 SER 94 HB2 SER 94 -6.059 -12.206 -6.135 617 HB3 SER 94 HB3 SER 94 -5.297 -13.564 -5.294 618 HG SER 94 HG SER 94 -7.009 -14.109 -6.859 619 H VAL 95 H VAL 95 -6.170 -12.198 -1.646 620 HA VAL 95 HA VAL 95 -4.507 -9.965 -1.694 621 HB VAL 95 HB VAL 95 -5.563 -10.518 0.369 622 HG11 VAL 95 2HG1 VAL 95 -5.731 -12.935 0.074 623 HG12 VAL 95 1HG1 VAL 95 -5.082 -12.521 1.660 624 HG13 VAL 95 3HG1 VAL 95 -4.002 -13.097 0.389 625 HG21 VAL 95 3HG2 VAL 95 -3.425 -9.400 0.598 626 HG22 VAL 95 2HG2 VAL 95 -2.590 -10.954 0.632 627 HG23 VAL 95 1HG2 VAL 95 -3.681 -10.508 1.946 628 H SER 96 H SER 96 -2.695 -9.918 -2.860 629 HA SER 96 HA SER 96 -1.235 -12.240 -3.578 630 HB2 SER 96 HB2 SER 96 -0.426 -9.335 -3.852 631 HB3 SER 96 HB3 SER 96 0.228 -10.698 -4.756 632 HG SER 96 HG SER 96 -2.062 -11.007 -5.460 633 H SER 97 H SER 97 -0.005 -13.304 -2.193 634 HA SER 97 HA SER 97 1.361 -12.022 -0.021 635 HB2 SER 97 HB2 SER 97 1.772 -14.805 -1.139 636 HB3 SER 97 HB3 SER 97 2.305 -14.216 0.437 637 HG SER 97 HG SER 97 0.257 -14.215 1.157 638 H ARG 98 H ARG 98 3.156 -10.863 -0.247 639 HA ARG 98 HA ARG 98 5.084 -11.658 -2.312 640 HB2 ARG 98 HB2 ARG 98 4.062 -8.871 -1.777 641 HB3 ARG 98 HB3 ARG 98 5.536 -9.195 -2.676 642 HG2 ARG 98 HG2 ARG 98 4.185 -10.525 -4.286 643 HG3 ARG 98 HG3 ARG 98 2.737 -10.004 -3.420 644 HD2 ARG 98 HD2 ARG 98 3.155 -8.607 -5.383 645 HD3 ARG 98 HD3 ARG 98 3.278 -7.675 -3.892 646 HE ARG 98 HE ARG 98 5.741 -8.736 -5.067 647 HH11 ARG 98 2HH1 ARG 98 3.649 -5.983 -4.436 648 HH12 ARG 98 1HH1 ARG 98 4.907 -4.820 -4.736 649 HH21 ARG 98 2HH2 ARG 98 7.390 -7.205 -5.459 650 HH22 ARG 98 1HH2 ARG 98 7.035 -5.507 -5.336 651 H THR 99 H THR 99 7.238 -10.723 -1.982 652 HA THR 99 HA THR 99 7.882 -9.774 0.679 653 HB THR 99 HB THR 99 9.154 -12.327 -0.343 654 HG1 THR 99 HG1 THR 99 6.869 -11.911 1.112 655 HG21 THR 99 3HG2 THR 99 10.626 -10.952 1.044 656 HG22 THR 99 1HG2 THR 99 10.155 -12.426 1.891 657 HG23 THR 99 2HG2 THR 99 9.392 -10.892 2.303 658 H ILE 100 H ILE 100 9.196 -8.106 0.247 659 HA ILE 100 HA ILE 100 10.642 -8.108 -2.290 660 HB ILE 100 HB ILE 100 10.712 -5.765 -0.421 661 HG12 ILE 100 2HG1 ILE 100 8.708 -5.013 -2.062 662 HG13 ILE 100 3HG1 ILE 100 8.321 -6.727 -1.900 663 HG21 ILE 100 2HG2 ILE 100 10.870 -4.531 -2.527 664 HG22 ILE 100 1HG2 ILE 100 10.715 -6.044 -3.419 665 HG23 ILE 100 3HG2 ILE 100 12.120 -5.767 -2.389 666 HD11 ILE 100 3HD1 ILE 100 8.251 -6.461 0.527 667 HD12 ILE 100 2HD1 ILE 100 7.123 -5.376 -0.278 668 HD13 ILE 100 1HD1 ILE 100 8.652 -4.757 0.350 669 H SER 101 H SER 101 12.805 -8.331 -2.422 670 HA SER 101 HA SER 101 14.421 -8.677 -0.096 671 HB2 SER 101 HB2 SER 101 16.306 -8.645 -1.799 672 HB3 SER 101 HB3 SER 101 15.061 -9.862 -2.077 673 HG SER 101 HG SER 101 14.726 -8.986 -3.938 674 H ALA 102 H ALA 102 16.142 -7.266 0.590 675 HA ALA 102 HA ALA 102 15.354 -4.707 1.135 676 HB1 ALA 102 HB1 ALA 102 17.128 -5.894 2.326 677 HB2 ALA 102 HB2 ALA 102 18.203 -5.666 0.948 678 HB3 ALA 102 HB3 ALA 102 17.630 -4.268 1.859 679 H SER 103 H SER 103 17.408 -5.730 -1.575 680 HA SER 103 HA SER 103 18.184 -3.202 -2.459 681 HB2 SER 103 HB2 SER 103 17.732 -5.696 -4.116 682 HB3 SER 103 HB3 SER 103 18.694 -4.296 -4.595 683 HG SER 103 HG SER 103 19.902 -6.108 -3.673 684 H GLU 104 H GLU 104 15.419 -5.184 -3.558 685 HA GLU 104 HA GLU 104 14.474 -3.069 -5.256 686 HB2 GLU 104 HB2 GLU 104 14.083 -5.371 -5.911 687 HB3 GLU 104 HB3 GLU 104 13.198 -5.680 -4.424 688 HG2 GLU 104 HG2 GLU 104 11.377 -4.371 -5.105 689 HG3 GLU 104 HG3 GLU 104 12.301 -3.607 -6.395 690 H ALA 105 H ALA 105 14.031 -4.019 -1.985 691 HA ALA 105 HA ALA 105 11.528 -2.871 -1.448 692 HB1 ALA 105 HB1 ALA 105 12.682 -4.376 0.101 693 HB2 ALA 105 HB2 ALA 105 13.896 -3.133 0.403 694 HB3 ALA 105 HB3 ALA 105 12.221 -2.866 0.886 695 H GLY 106 H GLY 106 14.800 -1.508 -1.398 696 HA2 GLY 106 HA1 GLY 106 14.035 1.067 -0.475 697 HA3 GLY 106 HA2 GLY 106 15.534 0.672 -1.297 698 H ASN 107 H ASN 107 13.378 -0.411 -3.406 699 HA ASN 107 HA ASN 107 13.518 1.956 -5.063 700 HB2 ASN 107 HB2 ASN 107 13.924 -0.097 -6.195 701 HB3 ASN 107 HB3 ASN 107 12.493 -0.850 -5.508 702 HD21 ASN 107 1HD2 ASN 107 10.510 -0.515 -6.455 703 HD22 ASN 107 2HD2 ASN 107 10.317 0.280 -7.975 704 H TYR 108 H TYR 108 11.314 0.585 -2.871 705 HA TYR 108 HA TYR 108 8.990 1.848 -4.117 706 HB2 TYR 108 HB2 TYR 108 9.199 0.039 -1.712 707 HB3 TYR 108 HB3 TYR 108 7.701 0.696 -2.349 708 HD1 TYR 108 HD2 TYR 108 7.144 0.092 -4.815 709 HD2 TYR 108 HD1 TYR 108 9.949 -2.028 -2.427 710 HE1 TYR 108 HE2 TYR 108 6.873 -1.881 -6.259 711 HE2 TYR 108 HE1 TYR 108 9.677 -4.009 -3.853 712 HH TYR 108 HH TYR 108 8.222 -3.942 -6.865 713 H ASN 109 H ASN 109 8.045 3.619 -3.354 714 HA ASN 109 HA ASN 109 9.260 5.041 -1.119 715 HB2 ASN 109 HB2 ASN 109 7.042 5.845 -3.024 716 HB3 ASN 109 HB3 ASN 109 7.694 6.888 -1.764 717 HD21 ASN 109 1HD2 ASN 109 8.095 5.646 -4.918 718 HD22 ASN 109 2HD2 ASN 109 9.553 6.496 -5.315 719 H TYR 110 H TYR 110 7.885 5.918 0.614 720 HA TYR 110 HA TYR 110 5.264 4.684 0.879 721 HB2 TYR 110 HB2 TYR 110 5.608 3.857 3.100 722 HB3 TYR 110 HB3 TYR 110 6.843 3.164 2.064 723 HD1 TYR 110 HD1 TYR 110 8.273 6.152 2.330 724 HD2 TYR 110 HD2 TYR 110 7.095 3.004 4.921 725 HE1 TYR 110 HE1 TYR 110 9.971 6.854 3.949 726 HE2 TYR 110 HE2 TYR 110 8.800 3.696 6.547 727 HH TYR 110 HH TYR 110 10.911 4.932 6.596 728 H ILE 111 H ILE 111 4.084 5.692 2.804 729 HA ILE 111 HA ILE 111 4.807 8.535 2.810 730 HB ILE 111 HB ILE 111 2.331 9.010 2.617 731 HG12 ILE 111 2HG1 ILE 111 2.296 6.113 1.731 732 HG13 ILE 111 3HG1 ILE 111 1.503 6.755 3.159 733 HG21 ILE 111 2HG2 ILE 111 2.351 8.728 0.166 734 HG22 ILE 111 1HG2 ILE 111 3.752 7.668 0.320 735 HG23 ILE 111 3HG2 ILE 111 3.876 9.364 0.786 736 HD11 ILE 111 3HD1 ILE 111 0.069 8.138 1.696 737 HD12 ILE 111 2HD1 ILE 111 -0.114 6.405 1.411 738 HD13 ILE 111 1HD1 ILE 111 0.835 7.386 0.291 739 H HIS 112 H HIS 112 5.085 9.273 4.743 740 HA HIS 112 HA HIS 112 3.975 7.852 7.037 741 HB2 HIS 112 HB2 HIS 112 6.262 9.691 6.573 742 HB3 HIS 112 HB3 HIS 112 5.513 9.731 8.164 743 HD1 HIS 112 HD1 HIS 112 5.776 7.673 9.660 744 HD2 HIS 112 HD2 HIS 112 7.716 7.330 5.982 745 HE1 HIS 112 HE1 HIS 112 7.336 5.724 9.899 746 HE2 HIS 112 HE2 HIS 112 8.691 5.723 7.782 747 H ILE 113 H ILE 113 2.599 8.740 8.507 748 HA ILE 113 HA ILE 113 1.459 11.347 7.897 749 HB ILE 113 HB ILE 113 -0.116 10.590 9.812 750 HG12 ILE 113 2HG1 ILE 113 0.981 7.918 8.936 751 HG13 ILE 113 3HG1 ILE 113 1.245 8.657 10.510 752 HG21 ILE 113 2HG2 ILE 113 -0.163 9.293 7.102 753 HG22 ILE 113 1HG2 ILE 113 -0.819 10.876 7.520 754 HG23 ILE 113 3HG2 ILE 113 -1.544 9.416 8.193 755 HD11 ILE 113 3HD1 ILE 113 -0.473 6.951 10.617 756 HD12 ILE 113 2HD1 ILE 113 -1.408 7.799 9.385 757 HD13 ILE 113 1HD1 ILE 113 -1.150 8.544 10.963 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 -18.328 6.279 -6.735 2 H2 GLY 1 H2 GLY 1 -19.079 6.076 -8.243 3 H3 GLY 1 H3 GLY 1 -19.386 4.980 -6.988 4 HA2 GLY 1 HA2 GLY 1 -20.123 7.851 -6.958 5 HA3 GLY 1 HA1 GLY 1 -21.230 6.532 -7.310 6 H SER 2 H SER 2 -22.514 7.227 -5.530 7 HA SER 2 HA SER 2 -21.393 7.150 -2.871 8 HB2 SER 2 HB2 SER 2 -23.793 7.646 -2.227 9 HB3 SER 2 HB3 SER 2 -23.039 8.835 -3.288 10 HG SER 2 HG SER 2 -25.271 7.467 -3.698 11 H SER 3 H SER 3 -22.253 4.767 -4.932 12 HA SER 3 HA SER 3 -23.902 3.179 -3.215 13 HB2 SER 3 HB2 SER 3 -22.402 2.352 -5.708 14 HB3 SER 3 HB3 SER 3 -23.723 1.472 -4.938 15 HG SER 3 HG SER 3 -24.864 3.644 -5.263 16 H ILE 4 H ILE 4 -22.527 3.235 -1.335 17 HA ILE 4 HA ILE 4 -20.609 1.002 -1.401 18 HB ILE 4 HB ILE 4 -19.381 2.090 0.481 19 HG12 ILE 4 2HG1 ILE 4 -21.021 4.523 -0.278 20 HG13 ILE 4 3HG1 ILE 4 -21.183 3.610 1.217 21 HG21 ILE 4 2HG2 ILE 4 -18.497 2.186 -1.772 22 HG22 ILE 4 1HG2 ILE 4 -18.150 3.691 -0.921 23 HG23 ILE 4 3HG2 ILE 4 -19.448 3.631 -2.111 24 HD11 ILE 4 3HD1 ILE 4 -18.742 5.139 0.348 25 HD12 ILE 4 2HD1 ILE 4 -18.921 4.240 1.855 26 HD13 ILE 4 1HD1 ILE 4 -19.922 5.662 1.550 27 H SER 5 H SER 5 -20.650 -0.358 0.456 28 HA SER 5 HA SER 5 -22.613 0.113 2.507 29 HB2 SER 5 HB2 SER 5 -24.019 -0.685 0.617 30 HB3 SER 5 HB3 SER 5 -23.065 -2.165 0.557 31 HG SER 5 HG SER 5 -25.134 -1.518 2.172 32 H HIS 6 H HIS 6 -21.756 -0.634 4.284 33 HA HIS 6 HA HIS 6 -20.704 -1.931 5.813 34 HB2 HIS 6 HB2 HIS 6 -20.791 -4.060 3.667 35 HB3 HIS 6 HB3 HIS 6 -20.352 -4.336 5.349 36 HD1 HIS 6 HD1 HIS 6 -23.177 -4.385 3.107 37 HD2 HIS 6 HD2 HIS 6 -22.603 -3.696 7.169 38 HE1 HIS 6 HE1 HIS 6 -25.440 -4.651 4.169 39 HE2 HIS 6 HE2 HIS 6 -25.103 -4.034 6.585 40 H SER 7 H SER 7 -19.300 -0.466 3.508 41 HA SER 7 HA SER 7 -16.696 -1.793 3.645 42 HB2 SER 7 HB2 SER 7 -17.445 -1.159 1.396 43 HB3 SER 7 HB3 SER 7 -17.627 0.515 1.915 44 HG SER 7 HG SER 7 -15.606 0.769 1.448 45 H GLY 8 H GLY 8 -15.161 -1.056 4.970 46 HA2 GLY 8 HA1 GLY 8 -15.652 1.313 6.553 47 HA3 GLY 8 HA2 GLY 8 -14.276 0.225 6.692 48 H ASN 9 H ASN 9 -14.266 0.704 3.568 49 HA ASN 9 HA ASN 9 -12.604 3.128 3.733 50 HB2 ASN 9 HB2 ASN 9 -11.248 1.136 3.342 51 HB3 ASN 9 HB3 ASN 9 -12.252 0.693 1.968 52 HD21 ASN 9 1HD2 ASN 9 -10.322 0.659 0.735 53 HD22 ASN 9 2HD2 ASN 9 -9.625 2.126 0.143 54 H LEU 10 H LEU 10 -12.538 4.464 1.869 55 HA LEU 10 HA LEU 10 -15.133 4.993 0.818 56 HB2 LEU 10 HB2 LEU 10 -12.435 6.161 0.149 57 HB3 LEU 10 HB3 LEU 10 -13.968 6.838 -0.363 58 HG LEU 10 HG LEU 10 -12.943 6.642 2.467 59 HD11 LEU 10 2HD1 LEU 10 -11.936 8.426 1.151 60 HD12 LEU 10 1HD1 LEU 10 -13.014 9.077 2.385 61 HD13 LEU 10 3HD1 LEU 10 -13.538 9.011 0.703 62 HD21 LEU 10 3HD2 LEU 10 -15.582 7.708 1.466 63 HD22 LEU 10 2HD2 LEU 10 -14.993 7.783 3.126 64 HD23 LEU 10 1HD2 LEU 10 -15.355 6.224 2.387 65 H TYR 11 H TYR 11 -12.487 3.114 -0.260 66 HA TYR 11 HA TYR 11 -12.954 3.420 -3.071 67 HB2 TYR 11 HB2 TYR 11 -10.820 2.583 -1.598 68 HB3 TYR 11 HB3 TYR 11 -11.460 1.043 -2.165 69 HD1 TYR 11 HD1 TYR 11 -10.279 4.361 -3.304 70 HD2 TYR 11 HD2 TYR 11 -11.052 0.320 -4.373 71 HE1 TYR 11 HE1 TYR 11 -9.174 4.733 -5.469 72 HE2 TYR 11 HE2 TYR 11 -9.954 0.678 -6.546 73 HH TYR 11 HH TYR 11 -9.399 2.532 -8.055 74 H THR 12 H THR 12 -12.819 0.844 -4.056 75 HA THR 12 HA THR 12 -15.566 0.186 -4.066 76 HB THR 12 HB THR 12 -13.353 -1.561 -5.134 77 HG1 THR 12 HG1 THR 12 -14.335 0.931 -6.054 78 HG21 THR 12 3HG2 THR 12 -15.604 -2.499 -5.242 79 HG22 THR 12 1HG2 THR 12 -15.017 -2.102 -6.857 80 HG23 THR 12 2HG2 THR 12 -16.184 -1.048 -6.058 81 H ALA 13 H ALA 13 -13.296 -2.455 -3.810 82 HA ALA 13 HA ALA 13 -13.736 -3.233 -1.164 83 HB1 ALA 13 HB1 ALA 13 -16.055 -3.573 -1.864 84 HB2 ALA 13 HB2 ALA 13 -15.516 -4.623 -3.173 85 HB3 ALA 13 HB3 ALA 13 -15.282 -5.115 -1.495 86 H GLY 14 H GLY 14 -12.142 -4.609 -0.695 87 HA2 GLY 14 HA1 GLY 14 -10.418 -6.096 -0.938 88 HA3 GLY 14 HA2 GLY 14 -11.420 -6.868 -2.156 89 H GLN 15 H GLN 15 -10.324 -3.573 -2.461 90 HA GLN 15 HA GLN 15 -8.918 -4.329 -4.896 91 HB2 GLN 15 HB2 GLN 15 -9.666 -1.623 -3.782 92 HB3 GLN 15 HB3 GLN 15 -8.839 -1.875 -5.312 93 HG2 GLN 15 HG2 GLN 15 -11.558 -2.974 -4.643 94 HG3 GLN 15 HG3 GLN 15 -11.266 -1.479 -5.533 95 HE21 GLN 15 1HE2 GLN 15 -10.841 -4.950 -5.588 96 HE22 GLN 15 2HE2 GLN 15 -10.754 -5.106 -7.309 97 H CYS 16 H CYS 16 -6.896 -3.139 -5.411 98 HA CYS 16 HA CYS 16 -4.835 -3.763 -3.627 99 HB2 CYS 16 HB2 CYS 16 -3.551 -2.125 -5.218 100 HB3 CYS 16 HB3 CYS 16 -4.175 -3.652 -5.843 101 HG CYS 16 HG CYS 16 -4.688 -1.839 -7.826 102 H THR 17 H THR 17 -6.523 -0.722 -4.243 103 HA THR 17 HA THR 17 -4.856 0.616 -2.224 104 HB THR 17 HB THR 17 -6.053 2.691 -2.985 105 HG1 THR 17 HG1 THR 17 -7.166 2.396 -5.068 106 HG21 THR 17 3HG2 THR 17 -3.878 2.132 -3.912 107 HG22 THR 17 1HG2 THR 17 -4.907 2.833 -5.160 108 HG23 THR 17 2HG2 THR 17 -4.635 1.090 -5.117 109 H TRP 18 H TRP 18 -7.485 -1.250 -2.229 110 HA TRP 18 HA TRP 18 -9.059 0.282 -0.319 111 HB2 TRP 18 HB2 TRP 18 -10.147 -1.053 -2.136 112 HB3 TRP 18 HB3 TRP 18 -9.517 -2.507 -1.376 113 HD1 TRP 18 HD1 TRP 18 -12.223 0.154 -0.979 114 HE1 TRP 18 HE1 TRP 18 -13.940 -0.672 0.753 115 HE3 TRP 18 HE3 TRP 18 -9.744 -3.981 0.739 116 HZ2 TRP 18 HZ2 TRP 18 -14.199 -2.768 2.618 117 HZ3 TRP 18 HZ3 TRP 18 -10.796 -5.329 2.503 118 HH2 TRP 18 HH2 TRP 18 -12.974 -4.738 3.424 119 H TYR 19 H TYR 19 -7.294 -2.811 -0.541 120 HA TYR 19 HA TYR 19 -7.649 -3.638 2.114 121 HB2 TYR 19 HB2 TYR 19 -6.813 -5.111 0.359 122 HB3 TYR 19 HB3 TYR 19 -5.352 -4.144 0.211 123 HD1 TYR 19 HD2 TYR 19 -7.240 -6.128 2.761 124 HD2 TYR 19 HD1 TYR 19 -3.451 -4.836 1.323 125 HE1 TYR 19 HE2 TYR 19 -6.125 -7.581 4.403 126 HE2 TYR 19 HE1 TYR 19 -2.328 -6.287 2.958 127 HH TYR 19 HH TYR 19 -2.773 -7.374 5.091 128 H VAL 20 H VAL 20 -5.220 -1.585 0.640 129 HA VAL 20 HA VAL 20 -3.464 -1.301 2.778 130 HB VAL 20 HB VAL 20 -4.183 0.687 0.625 131 HG11 VAL 20 2HG1 VAL 20 -3.160 1.845 2.492 132 HG12 VAL 20 1HG1 VAL 20 -2.028 1.750 1.143 133 HG13 VAL 20 3HG1 VAL 20 -1.845 0.672 2.527 134 HG21 VAL 20 3HG2 VAL 20 -2.136 -0.109 -0.453 135 HG22 VAL 20 2HG2 VAL 20 -3.290 -1.423 -0.219 136 HG23 VAL 20 1HG2 VAL 20 -1.897 -1.269 0.853 137 H TYR 21 H TYR 21 -6.200 0.836 1.898 138 HA TYR 21 HA TYR 21 -5.817 2.576 4.094 139 HB2 TYR 21 HB2 TYR 21 -7.074 3.068 1.937 140 HB3 TYR 21 HB3 TYR 21 -8.415 2.162 2.623 141 HD1 TYR 21 HD1 TYR 21 -6.231 5.100 3.263 142 HD2 TYR 21 HD2 TYR 21 -9.968 3.214 4.002 143 HE1 TYR 21 HE1 TYR 21 -7.033 7.141 4.368 144 HE2 TYR 21 HE2 TYR 21 -10.784 5.244 5.110 145 HH TYR 21 HH TYR 21 -9.996 7.218 6.173 146 H ASP 22 H ASP 22 -7.610 -0.394 3.685 147 HA ASP 22 HA ASP 22 -9.173 -0.176 6.054 148 HB2 ASP 22 HB2 ASP 22 -9.731 -1.749 4.234 149 HB3 ASP 22 HB3 ASP 22 -8.272 -2.667 4.590 150 H LYS 23 H LYS 23 -6.101 -1.798 5.315 151 HA LYS 23 HA LYS 23 -5.728 -2.911 7.881 152 HB2 LYS 23 HB2 LYS 23 -3.858 -2.360 5.600 153 HB3 LYS 23 HB3 LYS 23 -3.268 -3.023 7.117 154 HG2 LYS 23 HG2 LYS 23 -5.414 -4.270 5.418 155 HG3 LYS 23 HG3 LYS 23 -3.713 -4.738 5.404 156 HD2 LYS 23 HD2 LYS 23 -5.567 -4.866 7.785 157 HD3 LYS 23 HD3 LYS 23 -5.042 -6.240 6.810 158 HE2 LYS 23 HE2 LYS 23 -2.736 -5.863 7.475 159 HE3 LYS 23 HE3 LYS 23 -3.209 -4.428 8.382 160 HZ1 LYS 23 HZ1 LYS 23 -4.607 -5.897 9.779 161 HZ2 LYS 23 HZ2 LYS 23 -2.950 -6.234 9.896 162 HZ3 LYS 23 HZ3 LYS 23 -3.953 -7.241 8.974 163 H VAL 24 H VAL 24 -4.910 0.241 6.579 164 HA VAL 24 HA VAL 24 -3.257 0.900 8.865 165 HB VAL 24 HB VAL 24 -3.066 3.138 7.898 166 HG11 VAL 24 2HG1 VAL 24 -1.559 1.385 7.115 167 HG12 VAL 24 1HG1 VAL 24 -1.920 2.532 5.825 168 HG13 VAL 24 3HG1 VAL 24 -2.708 0.954 5.848 169 HG21 VAL 24 3HG2 VAL 24 -4.969 2.145 5.781 170 HG22 VAL 24 2HG2 VAL 24 -4.098 3.678 5.745 171 HG23 VAL 24 1HG2 VAL 24 -5.310 3.381 6.990 172 H GLY 25 H GLY 25 -6.398 0.416 8.684 173 HA2 GLY 25 HA1 GLY 25 -8.045 0.873 10.222 174 HA3 GLY 25 HA2 GLY 25 -6.895 1.888 11.080 175 H GLY 26 H GLY 26 -7.495 2.509 7.727 176 HA2 GLY 26 HA1 GLY 26 -8.527 4.261 6.658 177 HA3 GLY 26 HA2 GLY 26 -9.601 4.374 8.041 178 H GLU 27 H GLU 27 -6.130 4.856 7.618 179 HA GLU 27 HA GLU 27 -6.405 7.375 9.081 180 HB2 GLU 27 HB2 GLU 27 -4.889 5.764 10.103 181 HB3 GLU 27 HB3 GLU 27 -3.958 5.664 8.617 182 HG2 GLU 27 HG2 GLU 27 -2.910 7.057 10.371 183 HG3 GLU 27 HG3 GLU 27 -3.199 7.922 8.861 184 H ILE 28 H ILE 28 -4.017 6.259 6.674 185 HA ILE 28 HA ILE 28 -3.907 9.029 5.799 186 HB ILE 28 HB ILE 28 -1.753 8.730 5.096 187 HG12 ILE 28 2HG1 ILE 28 -2.333 6.827 3.528 188 HG13 ILE 28 3HG1 ILE 28 -0.726 6.767 4.238 189 HG21 ILE 28 2HG2 ILE 28 -1.839 8.335 7.478 190 HG22 ILE 28 1HG2 ILE 28 -0.537 7.399 6.741 191 HG23 ILE 28 3HG2 ILE 28 -2.041 6.605 7.205 192 HD11 ILE 28 3HD1 ILE 28 -1.703 4.575 4.170 193 HD12 ILE 28 2HD1 ILE 28 -3.117 5.139 5.064 194 HD13 ILE 28 1HD1 ILE 28 -1.537 5.098 5.848 195 H GLY 29 H GLY 29 -4.574 9.750 3.880 196 HA2 GLY 29 HA1 GLY 29 -4.715 9.790 1.580 197 HA3 GLY 29 HA2 GLY 29 -4.196 8.118 1.551 198 H SER 30 H SER 30 -7.077 9.968 2.614 199 HA SER 30 HA SER 30 -8.821 7.906 1.603 200 HB2 SER 30 HB2 SER 30 -10.579 9.759 2.027 201 HB3 SER 30 HB3 SER 30 -9.751 9.069 3.420 202 HG SER 30 HG SER 30 -9.873 11.604 2.729 203 H THR 31 H THR 31 -7.065 10.410 0.259 204 HA THR 31 HA THR 31 -8.696 10.398 -2.178 205 HB THR 31 HB THR 31 -7.378 12.934 -1.241 206 HG1 THR 31 HG1 THR 31 -9.832 11.818 -0.362 207 HG21 THR 31 3HG2 THR 31 -9.836 12.387 -2.911 208 HG22 THR 31 1HG2 THR 31 -8.239 12.784 -3.544 209 HG23 THR 31 2HG2 THR 31 -9.130 13.972 -2.591 210 H TRP 32 H TRP 32 -6.236 8.951 -1.500 211 HA TRP 32 HA TRP 32 -4.051 10.390 -2.686 212 HB2 TRP 32 HB2 TRP 32 -2.742 8.339 -2.354 213 HB3 TRP 32 HB3 TRP 32 -3.577 8.833 -0.886 214 HD1 TRP 32 HD1 TRP 32 -5.357 6.933 -3.654 215 HE1 TRP 32 HE1 TRP 32 -6.040 4.647 -2.787 216 HE3 TRP 32 HE3 TRP 32 -2.949 7.038 0.833 217 HZ2 TRP 32 HZ2 TRP 32 -5.640 3.048 -0.500 218 HZ3 TRP 32 HZ3 TRP 32 -3.151 5.072 2.313 219 HH2 TRP 32 HH2 TRP 32 -4.465 3.122 1.659 220 H GLY 33 H GLY 33 -6.632 8.708 -3.971 221 HA2 GLY 33 HA1 GLY 33 -7.101 8.305 -6.221 222 HA3 GLY 33 HA2 GLY 33 -5.427 8.699 -6.592 223 H ASN 34 H ASN 34 -4.389 7.080 -7.462 224 HA ASN 34 HA ASN 34 -4.661 4.465 -6.175 225 HB2 ASN 34 HB2 ASN 34 -4.174 3.410 -8.415 226 HB3 ASN 34 HB3 ASN 34 -5.768 4.119 -8.232 227 HD21 ASN 34 1HD2 ASN 34 -2.927 6.100 -8.792 228 HD22 ASN 34 2HD2 ASN 34 -3.342 6.556 -10.412 229 H ALA 35 H ALA 35 -2.667 3.102 -7.421 230 HA ALA 35 HA ALA 35 -0.693 3.709 -5.585 231 HB1 ALA 35 HB1 ALA 35 0.567 1.927 -6.571 232 HB2 ALA 35 HB2 ALA 35 -1.144 1.500 -6.522 233 HB3 ALA 35 HB3 ALA 35 -0.406 2.011 -8.040 234 H ASN 36 H ASN 36 -0.564 4.314 -9.120 235 HA ASN 36 HA ASN 36 2.117 5.279 -8.968 236 HB2 ASN 36 HB2 ASN 36 1.822 5.982 -11.305 237 HB3 ASN 36 HB3 ASN 36 1.305 4.323 -11.041 238 HD21 ASN 36 1HD2 ASN 36 0.080 4.395 -12.939 239 HD22 ASN 36 2HD2 ASN 36 -1.434 5.238 -13.013 240 H ASN 37 H ASN 37 -0.774 6.661 -8.087 241 HA ASN 37 HA ASN 37 0.183 9.405 -8.526 242 HB2 ASN 37 HB2 ASN 37 -2.089 8.823 -9.380 243 HB3 ASN 37 HB3 ASN 37 -2.581 8.432 -7.739 244 HD21 ASN 37 1HD2 ASN 37 -3.081 10.074 -6.321 245 HD22 ASN 37 2HD2 ASN 37 -3.173 11.733 -6.803 246 H TRP 38 H TRP 38 0.308 7.033 -6.318 247 HA TRP 38 HA TRP 38 -0.735 7.967 -3.950 248 HB2 TRP 38 HB2 TRP 38 1.120 5.911 -4.746 249 HB3 TRP 38 HB3 TRP 38 1.617 6.654 -3.222 250 HD1 TRP 38 HD1 TRP 38 -1.954 5.746 -4.468 251 HE1 TRP 38 HE1 TRP 38 -3.036 4.323 -2.655 252 HE3 TRP 38 HE3 TRP 38 2.002 5.419 -1.253 253 HZ2 TRP 38 HZ2 TRP 38 -2.307 3.239 -0.100 254 HZ3 TRP 38 HZ3 TRP 38 1.738 4.168 0.835 255 HH2 TRP 38 HH2 TRP 38 -0.373 3.092 1.388 256 H ALA 39 H ALA 39 2.748 8.151 -4.758 257 HA ALA 39 HA ALA 39 3.481 9.627 -2.540 258 HB1 ALA 39 HB1 ALA 39 5.114 8.522 -3.944 259 HB2 ALA 39 HB2 ALA 39 4.762 9.629 -5.272 260 HB3 ALA 39 HB3 ALA 39 5.513 10.233 -3.795 261 H ALA 40 H ALA 40 2.169 10.771 -5.594 262 HA ALA 40 HA ALA 40 2.708 13.527 -5.137 263 HB1 ALA 40 HB1 ALA 40 2.301 12.608 -7.376 264 HB2 ALA 40 HB2 ALA 40 0.633 12.258 -6.925 265 HB3 ALA 40 HB3 ALA 40 1.195 13.929 -7.000 266 H ALA 41 H ALA 41 -0.258 11.566 -4.831 267 HA ALA 41 HA ALA 41 -1.841 13.667 -3.753 268 HB1 ALA 41 HB1 ALA 41 -2.755 11.642 -4.876 269 HB2 ALA 41 HB2 ALA 41 -2.294 10.687 -3.467 270 HB3 ALA 41 HB3 ALA 41 -3.495 11.971 -3.312 271 H ALA 42 H ALA 42 0.094 11.118 -2.371 272 HA ALA 42 HA ALA 42 -0.686 11.299 0.311 273 HB1 ALA 42 HB1 ALA 42 1.918 10.469 -0.948 274 HB2 ALA 42 HB2 ALA 42 1.525 10.252 0.756 275 HB3 ALA 42 HB3 ALA 42 0.572 9.430 -0.476 276 H GLN 43 H GLN 43 2.138 12.766 -1.332 277 HA GLN 43 HA GLN 43 2.947 14.221 0.961 278 HB2 GLN 43 HB2 GLN 43 3.634 14.597 -1.956 279 HB3 GLN 43 HB3 GLN 43 4.396 15.485 -0.642 280 HG2 GLN 43 HG2 GLN 43 5.095 13.282 0.316 281 HG3 GLN 43 HG3 GLN 43 4.513 12.528 -1.170 282 HE21 GLN 43 1HE2 GLN 43 6.925 14.547 0.274 283 HE22 GLN 43 2HE2 GLN 43 8.030 14.534 -1.059 284 H GLY 44 H GLY 44 0.688 14.852 -1.600 285 HA2 GLY 44 HA1 GLY 44 0.344 17.636 -1.068 286 HA3 GLY 44 HA2 GLY 44 -0.783 16.595 -1.930 287 H ALA 45 H ALA 45 -0.709 14.750 0.487 288 HA ALA 45 HA ALA 45 -2.706 16.175 2.074 289 HB1 ALA 45 HB1 ALA 45 -1.920 13.261 2.127 290 HB2 ALA 45 HB2 ALA 45 -3.273 13.993 2.990 291 HB3 ALA 45 HB3 ALA 45 -3.273 13.944 1.226 292 H GLY 46 H GLY 46 0.542 15.815 2.096 293 HA2 GLY 46 HA1 GLY 46 1.851 16.867 3.763 294 HA3 GLY 46 HA2 GLY 46 0.608 16.488 4.944 295 H PHE 47 H PHE 47 1.382 13.827 2.953 296 HA PHE 47 HA PHE 47 2.615 12.494 5.203 297 HB2 PHE 47 HB2 PHE 47 2.305 11.414 2.396 298 HB3 PHE 47 HB3 PHE 47 2.638 10.493 3.849 299 HD1 PHE 47 HD1 PHE 47 0.326 12.667 5.048 300 HD2 PHE 47 HD2 PHE 47 0.618 9.473 2.254 301 HE1 PHE 47 HE1 PHE 47 -2.085 12.234 5.287 302 HE2 PHE 47 HE2 PHE 47 -1.786 9.022 2.474 303 HZ PHE 47 HZ PHE 47 -3.143 10.423 3.998 304 H THR 48 H THR 48 4.704 11.655 5.270 305 HA THR 48 HA THR 48 6.609 12.998 3.476 306 HB THR 48 HB THR 48 7.237 11.593 6.076 307 HG1 THR 48 HG1 THR 48 6.616 13.332 7.126 308 HG21 THR 48 3HG2 THR 48 9.139 12.016 4.576 309 HG22 THR 48 1HG2 THR 48 9.242 12.991 6.041 310 HG23 THR 48 2HG2 THR 48 8.715 13.727 4.526 311 H VAL 49 H VAL 49 7.798 11.800 2.059 312 HA VAL 49 HA VAL 49 7.609 8.884 2.344 313 HB VAL 49 HB VAL 49 7.677 8.583 0.025 314 HG11 VAL 49 2HG1 VAL 49 5.820 9.918 -0.844 315 HG12 VAL 49 1HG1 VAL 49 5.978 11.020 0.524 316 HG13 VAL 49 3HG1 VAL 49 5.513 9.340 0.792 317 HG21 VAL 49 3HG2 VAL 49 8.126 10.282 -1.624 318 HG22 VAL 49 2HG2 VAL 49 9.472 10.165 -0.493 319 HG23 VAL 49 1HG2 VAL 49 8.326 11.498 -0.359 320 H ASN 50 H ASN 50 9.396 7.795 2.738 321 HA ASN 50 HA ASN 50 12.004 9.095 2.238 322 HB2 ASN 50 HB2 ASN 50 11.356 7.234 4.537 323 HB3 ASN 50 HB3 ASN 50 12.849 8.135 4.293 324 HD21 ASN 50 1HD2 ASN 50 10.856 8.057 6.480 325 HD22 ASN 50 2HD2 ASN 50 10.399 9.710 6.730 326 H HIS 51 H HIS 51 10.104 6.919 1.093 327 HA HIS 51 HA HIS 51 10.020 4.741 0.515 328 HB2 HIS 51 HB2 HIS 51 11.714 4.165 -1.203 329 HB3 HIS 51 HB3 HIS 51 11.027 5.763 -1.425 330 HD1 HIS 51 HD1 HIS 51 12.612 7.797 -1.060 331 HD2 HIS 51 HD2 HIS 51 14.477 4.087 -0.783 332 HE1 HIS 51 HE1 HIS 51 15.078 8.260 -1.218 333 HE2 HIS 51 HE2 HIS 51 16.188 6.022 -0.942 334 H THR 52 H THR 52 10.143 3.916 2.649 335 HA THR 52 HA THR 52 12.195 1.926 2.929 336 HB THR 52 HB THR 52 11.895 4.018 5.116 337 HG1 THR 52 HG1 THR 52 13.528 3.905 2.937 338 HG21 THR 52 3HG2 THR 52 12.340 1.761 5.975 339 HG22 THR 52 1HG2 THR 52 13.731 2.817 6.208 340 HG23 THR 52 2HG2 THR 52 13.737 1.627 4.908 341 HA PRO 53 HA PRO 53 7.993 0.527 4.110 342 HB2 PRO 53 HB2 PRO 53 8.724 -2.144 4.035 343 HB3 PRO 53 HB3 PRO 53 8.093 -1.229 2.662 344 HG2 PRO 53 HG2 PRO 53 10.928 -1.856 3.385 345 HG3 PRO 53 HG3 PRO 53 10.144 -1.885 1.794 346 HD2 PRO 53 HD2 PRO 53 11.709 0.151 2.499 347 HD3 PRO 53 HD3 PRO 53 10.209 0.427 1.582 348 H SER 54 H SER 54 7.134 -0.487 5.952 349 HA SER 54 HA SER 54 8.828 -1.411 8.080 350 HB2 SER 54 HB2 SER 54 7.348 1.219 8.406 351 HB3 SER 54 HB3 SER 54 8.195 0.356 9.686 352 HG SER 54 HG SER 54 9.828 0.733 7.574 353 H LYS 55 H LYS 55 7.484 -2.051 9.969 354 HA LYS 55 HA LYS 55 5.191 -3.456 9.060 355 HB2 LYS 55 HB2 LYS 55 6.683 -4.250 10.872 356 HB3 LYS 55 HB3 LYS 55 6.121 -2.937 11.893 357 HG2 LYS 55 HG2 LYS 55 3.915 -3.855 11.976 358 HG3 LYS 55 HG3 LYS 55 4.329 -5.080 10.775 359 HD2 LYS 55 HD2 LYS 55 4.348 -6.081 12.970 360 HD3 LYS 55 HD3 LYS 55 6.000 -6.003 12.354 361 HE2 LYS 55 HE2 LYS 55 6.016 -5.350 14.660 362 HE3 LYS 55 HE3 LYS 55 6.331 -3.925 13.673 363 HZ1 LYS 55 HZ1 LYS 55 4.773 -3.421 15.430 364 HZ2 LYS 55 HZ2 LYS 55 3.726 -4.649 14.906 365 HZ3 LYS 55 HZ3 LYS 55 3.997 -3.293 13.927 366 H GLY 56 H GLY 56 3.394 -2.380 8.481 367 HA2 GLY 56 HA1 GLY 56 1.344 -1.387 9.332 368 HA3 GLY 56 HA2 GLY 56 2.334 -0.390 10.392 369 H ALA 57 H ALA 57 4.039 -0.416 7.647 370 HA ALA 57 HA ALA 57 2.815 2.073 6.700 371 HB1 ALA 57 HB1 ALA 57 5.181 2.212 7.218 372 HB2 ALA 57 HB2 ALA 57 5.525 0.881 6.112 373 HB3 ALA 57 HB3 ALA 57 4.926 2.417 5.484 374 H ILE 58 H ILE 58 3.695 2.137 4.083 375 HA ILE 58 HA ILE 58 2.500 -0.248 2.865 376 HB ILE 58 HB ILE 58 1.854 2.516 1.858 377 HG12 ILE 58 2HG1 ILE 58 -0.511 1.834 2.802 378 HG13 ILE 58 3HG1 ILE 58 0.436 0.860 3.917 379 HG21 ILE 58 2HG2 ILE 58 0.676 -0.206 1.315 380 HG22 ILE 58 1HG2 ILE 58 1.677 0.751 0.221 381 HG23 ILE 58 3HG2 ILE 58 0.063 1.313 0.659 382 HD11 ILE 58 3HD1 ILE 58 0.662 3.840 3.551 383 HD12 ILE 58 2HD1 ILE 58 1.600 2.863 4.680 384 HD13 ILE 58 1HD1 ILE 58 -0.147 3.013 4.884 385 H LEU 59 H LEU 59 3.217 -0.748 0.821 386 HA LEU 59 HA LEU 59 5.783 0.453 0.066 387 HB2 LEU 59 HB2 LEU 59 5.480 -2.015 0.595 388 HB3 LEU 59 HB3 LEU 59 4.497 -2.134 -0.845 389 HG LEU 59 HG LEU 59 6.861 -2.937 -1.077 390 HD11 LEU 59 2HD1 LEU 59 5.949 -0.706 -2.867 391 HD12 LEU 59 1HD1 LEU 59 5.552 -2.418 -3.021 392 HD13 LEU 59 3HD1 LEU 59 7.211 -1.874 -3.255 393 HD21 LEU 59 3HD2 LEU 59 7.899 -1.224 0.316 394 HD22 LEU 59 2HD2 LEU 59 7.491 -0.005 -0.891 395 HD23 LEU 59 1HD2 LEU 59 8.621 -1.299 -1.290 396 H GLN 60 H GLN 60 5.956 1.637 -1.832 397 HA GLN 60 HA GLN 60 3.641 1.590 -3.664 398 HB2 GLN 60 HB2 GLN 60 3.458 3.480 -2.088 399 HB3 GLN 60 HB3 GLN 60 5.025 4.066 -2.611 400 HG2 GLN 60 HG2 GLN 60 2.874 3.703 -4.632 401 HG3 GLN 60 HG3 GLN 60 2.800 5.081 -3.541 402 HE21 GLN 60 1HE2 GLN 60 3.123 5.068 -6.406 403 HE22 GLN 60 2HE2 GLN 60 4.631 5.853 -6.744 404 H SER 61 H SER 61 4.008 1.767 -5.762 405 HA SER 61 HA SER 61 6.664 2.559 -6.733 406 HB2 SER 61 HB2 SER 61 6.529 0.091 -6.761 407 HB3 SER 61 HB3 SER 61 5.054 0.190 -7.719 408 HG SER 61 HG SER 61 7.386 1.456 -8.644 409 H SER 62 H SER 62 6.635 3.538 -8.803 410 HA SER 62 HA SER 62 4.084 4.793 -9.416 411 HB2 SER 62 HB2 SER 62 6.827 5.316 -10.588 412 HB3 SER 62 HB3 SER 62 5.395 6.328 -10.782 413 HG SER 62 HG SER 62 6.939 6.987 -9.107 414 H GLU 63 H GLU 63 6.126 2.311 -10.677 415 HA GLU 63 HA GLU 63 4.950 2.476 -13.327 416 HB2 GLU 63 HB2 GLU 63 6.408 0.620 -13.917 417 HB3 GLU 63 HB3 GLU 63 7.324 1.902 -13.141 418 HG2 GLU 63 HG2 GLU 63 7.440 0.661 -11.096 419 HG3 GLU 63 HG3 GLU 63 6.352 -0.572 -11.736 420 H GLY 64 H GLY 64 4.088 0.426 -14.310 421 HA2 GLY 64 HA1 GLY 64 2.940 -1.686 -13.857 422 HA3 GLY 64 HA2 GLY 64 2.423 -0.994 -12.324 423 HA PRO 65 HA PRO 65 -0.784 -0.381 -15.801 424 HB2 PRO 65 HB2 PRO 65 -2.806 -1.734 -14.534 425 HB3 PRO 65 HB3 PRO 65 -1.710 -2.475 -15.706 426 HG2 PRO 65 HG2 PRO 65 -1.616 -2.540 -12.714 427 HG3 PRO 65 HG3 PRO 65 -1.329 -3.853 -13.873 428 HD2 PRO 65 HD2 PRO 65 0.698 -2.563 -12.670 429 HD3 PRO 65 HD3 PRO 65 0.819 -3.133 -14.347 430 H PHE 66 H PHE 66 -0.832 -0.234 -12.314 431 HA PHE 66 HA PHE 66 -2.268 2.316 -12.453 432 HB2 PHE 66 HB2 PHE 66 -3.681 1.740 -10.579 433 HB3 PHE 66 HB3 PHE 66 -3.866 0.489 -11.805 434 HD1 PHE 66 HD1 PHE 66 -2.605 -1.670 -11.518 435 HD2 PHE 66 HD2 PHE 66 -2.969 1.217 -8.422 436 HE1 PHE 66 HE1 PHE 66 -2.002 -3.385 -9.861 437 HE2 PHE 66 HE2 PHE 66 -2.367 -0.491 -6.754 438 HZ PHE 66 HZ PHE 66 -1.881 -2.797 -7.474 439 H GLY 67 H GLY 67 0.440 0.760 -11.705 440 HA2 GLY 67 HA1 GLY 67 2.234 1.711 -10.425 441 HA3 GLY 67 HA2 GLY 67 1.034 2.368 -9.316 442 H HIS 68 H HIS 68 2.379 1.315 -7.639 443 HA HIS 68 HA HIS 68 1.368 -1.399 -7.178 444 HB2 HIS 68 HB2 HIS 68 3.665 -1.594 -8.188 445 HB3 HIS 68 HB3 HIS 68 4.302 -0.671 -6.820 446 HD1 HIS 68 HD1 HIS 68 5.452 -3.400 -7.259 447 HD2 HIS 68 HD2 HIS 68 2.070 -2.779 -4.928 448 HE1 HIS 68 HE1 HIS 68 5.341 -5.361 -5.693 449 HE2 HIS 68 HE2 HIS 68 3.152 -5.087 -4.463 450 H VAL 69 H VAL 69 0.015 -0.505 -5.438 451 HA VAL 69 HA VAL 69 1.724 0.158 -3.151 452 HB VAL 69 HB VAL 69 -0.272 1.128 -2.068 453 HG11 VAL 69 2HG1 VAL 69 -0.248 3.177 -3.398 454 HG12 VAL 69 1HG1 VAL 69 0.493 2.298 -4.735 455 HG13 VAL 69 3HG1 VAL 69 1.370 2.499 -3.218 456 HG21 VAL 69 3HG2 VAL 69 -2.010 -0.062 -3.318 457 HG22 VAL 69 2HG2 VAL 69 -1.545 0.799 -4.786 458 HG23 VAL 69 1HG2 VAL 69 -2.227 1.685 -3.420 459 H ALA 70 H ALA 70 2.033 -1.341 -1.811 460 HA ALA 70 HA ALA 70 -0.098 -3.276 -1.219 461 HB1 ALA 70 HB1 ALA 70 2.845 -3.882 -1.486 462 HB2 ALA 70 HB2 ALA 70 1.597 -5.023 -0.982 463 HB3 ALA 70 HB3 ALA 70 1.585 -4.366 -2.620 464 H TYR 71 H TYR 71 -0.506 -3.437 0.897 465 HA TYR 71 HA TYR 71 0.784 -1.609 2.651 466 HB2 TYR 71 HB2 TYR 71 -1.498 -1.899 3.068 467 HB3 TYR 71 HB3 TYR 71 -1.393 -3.657 2.953 468 HD1 TYR 71 HD1 TYR 71 -0.811 -0.748 5.122 469 HD2 TYR 71 HD2 TYR 71 -0.731 -4.989 4.815 470 HE1 TYR 71 HE1 TYR 71 -0.624 -0.909 7.570 471 HE2 TYR 71 HE2 TYR 71 -0.542 -5.161 7.264 472 HH TYR 71 HH TYR 71 0.159 -3.847 9.163 473 H VAL 72 H VAL 72 2.299 -1.941 4.172 474 HA VAL 72 HA VAL 72 3.837 -4.396 3.933 475 HB VAL 72 HB VAL 72 4.471 -1.967 5.612 476 HG11 VAL 72 2HG1 VAL 72 5.719 -3.945 6.227 477 HG12 VAL 72 1HG1 VAL 72 6.781 -2.786 5.426 478 HG13 VAL 72 3HG1 VAL 72 6.195 -4.199 4.547 479 HG21 VAL 72 3HG2 VAL 72 5.872 -1.188 3.778 480 HG22 VAL 72 2HG2 VAL 72 4.183 -1.294 3.280 481 HG23 VAL 72 1HG2 VAL 72 5.329 -2.539 2.779 482 H GLU 73 H GLU 73 3.307 -6.038 5.190 483 HA GLU 73 HA GLU 73 1.823 -5.665 7.621 484 HB2 GLU 73 HB2 GLU 73 2.930 -8.117 6.256 485 HB3 GLU 73 HB3 GLU 73 2.055 -8.181 7.778 486 HG2 GLU 73 HG2 GLU 73 0.896 -6.972 5.284 487 HG3 GLU 73 HG3 GLU 73 0.732 -8.679 5.691 488 H SER 74 H SER 74 5.141 -6.227 6.722 489 HA SER 74 HA SER 74 6.235 -5.538 9.187 490 HB2 SER 74 HB2 SER 74 7.072 -7.853 9.870 491 HB3 SER 74 HB3 SER 74 5.367 -7.526 10.176 492 HG SER 74 HG SER 74 6.497 -9.425 8.605 493 H VAL 75 H VAL 75 8.491 -5.446 9.093 494 HA VAL 75 HA VAL 75 9.682 -6.430 6.589 495 HB VAL 75 HB VAL 75 9.951 -4.014 6.880 496 HG11 VAL 75 2HG1 VAL 75 11.329 -3.086 8.673 497 HG12 VAL 75 1HG1 VAL 75 11.442 -4.684 9.412 498 HG13 VAL 75 3HG1 VAL 75 9.880 -3.873 9.304 499 HG21 VAL 75 3HG2 VAL 75 11.692 -5.217 5.696 500 HG22 VAL 75 2HG2 VAL 75 12.533 -5.539 7.213 501 HG23 VAL 75 1HG2 VAL 75 12.394 -3.887 6.616 502 H ASN 76 H ASN 76 11.262 -7.935 6.659 503 HA ASN 76 HA ASN 76 11.424 -9.380 9.140 504 HB2 ASN 76 HB2 ASN 76 12.591 -10.018 6.425 505 HB3 ASN 76 HB3 ASN 76 12.571 -11.111 7.806 506 HD21 ASN 76 1HD2 ASN 76 11.418 -11.523 5.216 507 HD22 ASN 76 2HD2 ASN 76 9.714 -11.727 5.446 508 H SER 77 H SER 77 13.499 -10.340 9.839 509 HA SER 77 HA SER 77 15.308 -8.272 10.505 510 HB2 SER 77 HB2 SER 77 15.734 -11.250 10.785 511 HB3 SER 77 HB3 SER 77 16.493 -9.972 11.732 512 HG SER 77 HG SER 77 13.997 -9.502 12.066 513 H ASP 78 H ASP 78 15.210 -10.502 7.870 514 HA ASP 78 HA ASP 78 18.033 -10.324 7.280 515 HB2 ASP 78 HB2 ASP 78 15.705 -11.609 5.867 516 HB3 ASP 78 HB3 ASP 78 17.304 -11.524 5.134 517 H GLY 79 H GLY 79 15.571 -8.190 6.926 518 HA2 GLY 79 HA1 GLY 79 15.868 -6.089 5.854 519 HA3 GLY 79 HA2 GLY 79 16.952 -6.861 4.703 520 H SER 80 H SER 80 14.908 -9.105 4.511 521 HA SER 80 HA SER 80 13.487 -8.136 2.258 522 HB2 SER 80 HB2 SER 80 12.943 -10.631 3.884 523 HB3 SER 80 HB3 SER 80 12.451 -10.326 2.218 524 HG SER 80 HG SER 80 15.013 -9.971 2.191 525 H VAL 81 H VAL 81 11.284 -7.672 2.050 526 HA VAL 81 HA VAL 81 9.977 -6.962 4.596 527 HB VAL 81 HB VAL 81 9.674 -5.639 1.895 528 HG11 VAL 81 2HG1 VAL 81 8.461 -3.907 3.154 529 HG12 VAL 81 1HG1 VAL 81 8.571 -4.907 4.605 530 HG13 VAL 81 3HG1 VAL 81 7.647 -5.470 3.212 531 HG21 VAL 81 3HG2 VAL 81 10.874 -3.758 2.954 532 HG22 VAL 81 2HG2 VAL 81 11.864 -5.211 2.817 533 HG23 VAL 81 1HG2 VAL 81 11.156 -4.772 4.372 534 H THR 82 H THR 82 8.071 -7.874 5.041 535 HA THR 82 HA THR 82 6.776 -9.495 2.989 536 HB THR 82 HB THR 82 6.289 -9.291 5.970 537 HG1 THR 82 HG1 THR 82 7.210 -11.608 4.651 538 HG21 THR 82 3HG2 THR 82 4.225 -9.883 4.803 539 HG22 THR 82 1HG2 THR 82 4.859 -11.269 5.688 540 HG23 THR 82 2HG2 THR 82 5.069 -11.167 3.940 541 H ILE 83 H ILE 83 5.383 -8.424 1.749 542 HA ILE 83 HA ILE 83 3.634 -6.434 3.039 543 HB ILE 83 HB ILE 83 3.328 -5.412 0.815 544 HG12 ILE 83 2HG1 ILE 83 5.517 -7.305 -0.075 545 HG13 ILE 83 3HG1 ILE 83 3.820 -7.445 -0.524 546 HG21 ILE 83 2HG2 ILE 83 6.205 -5.630 1.687 547 HG22 ILE 83 1HG2 ILE 83 4.998 -4.515 2.332 548 HG23 ILE 83 3HG2 ILE 83 5.535 -4.364 0.658 549 HD11 ILE 83 3HD1 ILE 83 5.172 -6.440 -2.292 550 HD12 ILE 83 2HD1 ILE 83 5.617 -5.128 -1.201 551 HD13 ILE 83 1HD1 ILE 83 3.937 -5.331 -1.699 552 H SER 84 H SER 84 1.449 -6.347 2.336 553 HA SER 84 HA SER 84 0.519 -8.767 0.961 554 HB2 SER 84 HB2 SER 84 -0.725 -7.459 3.388 555 HB3 SER 84 HB3 SER 84 -1.482 -8.747 2.448 556 HG SER 84 HG SER 84 1.030 -9.442 3.077 557 H GLU 85 H GLU 85 -0.354 -8.261 -0.836 558 HA GLU 85 HA GLU 85 -1.810 -5.728 -1.119 559 HB2 GLU 85 HB2 GLU 85 -1.176 -5.983 -3.605 560 HB3 GLU 85 HB3 GLU 85 0.076 -5.468 -2.485 561 HG2 GLU 85 HG2 GLU 85 0.786 -7.895 -2.370 562 HG3 GLU 85 HG3 GLU 85 -0.295 -8.178 -3.731 563 H MET 86 H MET 86 -3.894 -6.263 -0.943 564 HA MET 86 HA MET 86 -4.949 -8.756 -1.845 565 HB2 MET 86 HB2 MET 86 -5.886 -7.583 0.099 566 HB3 MET 86 HB3 MET 86 -6.376 -6.255 -0.941 567 HG2 MET 86 HG2 MET 86 -7.920 -7.657 -2.113 568 HG3 MET 86 HG3 MET 86 -7.346 -9.074 -1.240 569 HE1 MET 86 HE1 MET 86 -8.761 -8.633 2.306 570 HE2 MET 86 HE2 MET 86 -8.038 -9.741 1.138 571 HE3 MET 86 HE3 MET 86 -7.126 -8.344 1.711 572 H ASN 87 H ASN 87 -5.639 -9.271 -3.756 573 HA ASN 87 HA ASN 87 -6.533 -9.225 -5.830 574 HB2 ASN 87 HB2 ASN 87 -8.283 -7.712 -5.014 575 HB3 ASN 87 HB3 ASN 87 -7.222 -6.331 -5.269 576 HD21 ASN 87 1HD2 ASN 87 -8.600 -5.350 -6.729 577 HD22 ASN 87 2HD2 ASN 87 -8.863 -5.959 -8.327 578 H TYR 88 H TYR 88 -5.050 -5.996 -5.369 579 HA TYR 88 HA TYR 88 -3.452 -4.897 -6.598 580 HB2 TYR 88 HB2 TYR 88 -2.145 -6.844 -5.659 581 HB3 TYR 88 HB3 TYR 88 -2.428 -7.694 -7.170 582 HD1 TYR 88 HD2 TYR 88 -1.138 -4.359 -6.061 583 HD2 TYR 88 HD1 TYR 88 -0.697 -7.684 -8.673 584 HE1 TYR 88 HE2 TYR 88 0.895 -3.348 -7.000 585 HE2 TYR 88 HE1 TYR 88 1.339 -6.684 -9.618 586 HH TYR 88 HH TYR 88 2.325 -4.399 -9.858 587 H SER 89 H SER 89 -5.838 -5.285 -7.881 588 HA SER 89 HA SER 89 -6.994 -5.564 -9.791 589 HB2 SER 89 HB2 SER 89 -5.911 -4.643 -11.865 590 HB3 SER 89 HB3 SER 89 -5.882 -3.559 -10.479 591 HG SER 89 HG SER 89 -3.680 -5.135 -10.534 592 H GLY 90 H GLY 90 -6.975 -7.857 -9.343 593 HA2 GLY 90 HA1 GLY 90 -6.314 -9.338 -11.699 594 HA3 GLY 90 HA2 GLY 90 -5.235 -9.736 -10.368 595 H GLY 91 H GLY 91 -5.956 -10.983 -8.698 596 HA2 GLY 91 HA1 GLY 91 -8.533 -12.291 -9.110 597 HA3 GLY 91 HA2 GLY 91 -7.264 -12.800 -8.004 598 HA PRO 92 HA PRO 92 -10.556 -9.529 -6.282 599 HB2 PRO 92 HB2 PRO 92 -12.688 -11.215 -5.741 600 HB3 PRO 92 HB3 PRO 92 -12.592 -10.100 -7.106 601 HG2 PRO 92 HG2 PRO 92 -12.022 -13.030 -7.007 602 HG3 PRO 92 HG3 PRO 92 -12.832 -12.086 -8.273 603 HD2 PRO 92 HD2 PRO 92 -10.297 -12.891 -8.549 604 HD3 PRO 92 HD3 PRO 92 -10.828 -11.302 -9.143 605 H PHE 93 H PHE 93 -9.772 -9.252 -4.335 606 HA PHE 93 HA PHE 93 -9.387 -9.458 -2.130 607 HB2 PHE 93 HB2 PHE 93 -11.166 -11.882 -2.356 608 HB3 PHE 93 HB3 PHE 93 -10.486 -11.292 -0.840 609 HD1 PHE 93 HD2 PHE 93 -12.913 -10.653 -3.507 610 HD2 PHE 93 HD1 PHE 93 -11.324 -9.282 0.192 611 HE1 PHE 93 HE2 PHE 93 -14.829 -9.133 -3.254 612 HE2 PHE 93 HE1 PHE 93 -13.241 -7.764 0.458 613 HZ PHE 93 HZ PHE 93 -14.996 -7.685 -1.267 614 H SER 94 H SER 94 -7.978 -11.267 -4.359 615 HA SER 94 HA SER 94 -6.681 -13.249 -2.790 616 HB2 SER 94 HB2 SER 94 -5.746 -11.858 -5.316 617 HB3 SER 94 HB3 SER 94 -4.956 -13.262 -4.587 618 HG SER 94 HG SER 94 -6.902 -13.286 -6.319 619 H VAL 95 H VAL 95 -6.138 -12.201 -0.856 620 HA VAL 95 HA VAL 95 -4.445 -9.961 -0.764 621 HB VAL 95 HB VAL 95 -5.679 -10.524 1.210 622 HG11 VAL 95 2HG1 VAL 95 -4.138 -13.111 1.288 623 HG12 VAL 95 1HG1 VAL 95 -5.857 -12.923 0.943 624 HG13 VAL 95 3HG1 VAL 95 -5.230 -12.533 2.545 625 HG21 VAL 95 3HG2 VAL 95 -3.557 -9.402 1.583 626 HG22 VAL 95 2HG2 VAL 95 -2.736 -10.959 1.701 627 HG23 VAL 95 1HG2 VAL 95 -3.926 -10.495 2.918 628 H SER 96 H SER 96 -2.748 -10.169 -2.153 629 HA SER 96 HA SER 96 -1.322 -12.582 -2.520 630 HB2 SER 96 HB2 SER 96 -1.603 -10.859 -4.278 631 HB3 SER 96 HB3 SER 96 -0.548 -9.782 -3.364 632 HG SER 96 HG SER 96 0.701 -10.811 -4.883 633 H SER 97 H SER 97 0.347 -13.377 -1.546 634 HA SER 97 HA SER 97 1.646 -11.879 0.591 635 HB2 SER 97 HB2 SER 97 2.193 -14.738 -0.217 636 HB3 SER 97 HB3 SER 97 2.464 -13.978 1.353 637 HG SER 97 HG SER 97 -0.008 -14.651 0.129 638 H ARG 98 H ARG 98 3.243 -10.562 -0.114 639 HA ARG 98 HA ARG 98 5.075 -11.611 -2.175 640 HB2 ARG 98 HB2 ARG 98 3.332 -9.836 -2.868 641 HB3 ARG 98 HB3 ARG 98 4.316 -8.711 -1.942 642 HG2 ARG 98 HG2 ARG 98 6.211 -9.131 -3.375 643 HG3 ARG 98 HG3 ARG 98 5.302 -10.370 -4.251 644 HD2 ARG 98 HD2 ARG 98 3.654 -8.648 -4.899 645 HD3 ARG 98 HD3 ARG 98 4.648 -7.430 -4.104 646 HE ARG 98 HE ARG 98 6.403 -8.457 -5.826 647 HH11 ARG 98 2HH1 ARG 98 3.044 -7.509 -6.284 648 HH12 ARG 98 1HH1 ARG 98 3.270 -7.091 -7.956 649 HH21 ARG 98 2HH2 ARG 98 6.690 -7.885 -8.025 650 HH22 ARG 98 1HH2 ARG 98 5.334 -7.314 -8.958 651 H THR 99 H THR 99 7.254 -11.041 -1.985 652 HA THR 99 HA THR 99 7.979 -9.761 0.569 653 HB THR 99 HB THR 99 9.459 -12.021 -0.806 654 HG1 THR 99 HG1 THR 99 7.445 -12.636 0.229 655 HG21 THR 99 3HG2 THR 99 10.801 -12.082 1.244 656 HG22 THR 99 1HG2 THR 99 9.908 -10.701 1.875 657 HG23 THR 99 2HG2 THR 99 10.930 -10.512 0.451 658 H ILE 100 H ILE 100 9.042 -7.934 0.291 659 HA ILE 100 HA ILE 100 10.332 -7.378 -2.274 660 HB ILE 100 HB ILE 100 9.886 -5.527 0.080 661 HG12 ILE 100 2HG1 ILE 100 7.745 -6.238 -0.887 662 HG13 ILE 100 3HG1 ILE 100 8.069 -4.541 -1.244 663 HG21 ILE 100 2HG2 ILE 100 11.740 -4.860 -1.353 664 HG22 ILE 100 1HG2 ILE 100 10.388 -3.739 -1.501 665 HG23 ILE 100 3HG2 ILE 100 10.687 -4.934 -2.764 666 HD11 ILE 100 3HD1 ILE 100 7.132 -5.683 -3.167 667 HD12 ILE 100 2HD1 ILE 100 8.448 -6.856 -3.135 668 HD13 ILE 100 1HD1 ILE 100 8.783 -5.164 -3.499 669 H SER 101 H SER 101 12.437 -7.848 -2.460 670 HA SER 101 HA SER 101 14.228 -8.225 -0.307 671 HB2 SER 101 HB2 SER 101 14.909 -7.377 -3.135 672 HB3 SER 101 HB3 SER 101 15.983 -8.180 -1.988 673 HG SER 101 HG SER 101 14.130 -9.849 -2.034 674 H ALA 102 H ALA 102 15.881 -6.839 0.507 675 HA ALA 102 HA ALA 102 15.052 -4.279 1.178 676 HB1 ALA 102 HB1 ALA 102 16.725 -5.581 2.421 677 HB2 ALA 102 HB2 ALA 102 17.893 -5.281 1.132 678 HB3 ALA 102 HB3 ALA 102 17.266 -3.936 2.085 679 H SER 103 H SER 103 17.183 -5.277 -1.457 680 HA SER 103 HA SER 103 18.046 -2.735 -2.255 681 HB2 SER 103 HB2 SER 103 18.337 -3.921 -4.520 682 HB3 SER 103 HB3 SER 103 19.214 -4.585 -3.141 683 HG SER 103 HG SER 103 18.231 -6.383 -3.600 684 H GLU 104 H GLU 104 15.297 -4.687 -3.349 685 HA GLU 104 HA GLU 104 14.315 -2.715 -5.162 686 HB2 GLU 104 HB2 GLU 104 13.895 -5.225 -5.239 687 HB3 GLU 104 HB3 GLU 104 12.747 -4.984 -3.931 688 HG2 GLU 104 HG2 GLU 104 11.490 -5.041 -5.916 689 HG3 GLU 104 HG3 GLU 104 11.557 -3.351 -5.419 690 H ALA 105 H ALA 105 13.944 -3.359 -1.773 691 HA ALA 105 HA ALA 105 11.610 -1.810 -1.315 692 HB1 ALA 105 HB1 ALA 105 12.409 -3.457 0.303 693 HB2 ALA 105 HB2 ALA 105 13.858 -2.489 0.581 694 HB3 ALA 105 HB3 ALA 105 12.277 -1.858 1.038 695 H GLY 106 H GLY 106 15.008 -1.075 -1.625 696 HA2 GLY 106 HA1 GLY 106 14.829 1.645 -0.762 697 HA3 GLY 106 HA2 GLY 106 16.125 0.941 -1.720 698 H ASN 107 H ASN 107 13.648 0.066 -3.479 699 HA ASN 107 HA ASN 107 13.819 2.349 -5.267 700 HB2 ASN 107 HB2 ASN 107 14.010 0.222 -6.339 701 HB3 ASN 107 HB3 ASN 107 12.587 -0.399 -5.513 702 HD21 ASN 107 1HD2 ASN 107 10.526 0.180 -6.257 703 HD22 ASN 107 2HD2 ASN 107 10.287 0.886 -7.820 704 H TYR 108 H TYR 108 11.341 0.547 -3.480 705 HA TYR 108 HA TYR 108 9.228 2.178 -4.537 706 HB2 TYR 108 HB2 TYR 108 9.212 0.127 -2.334 707 HB3 TYR 108 HB3 TYR 108 7.791 0.815 -3.106 708 HD1 TYR 108 HD2 TYR 108 7.999 0.599 -5.834 709 HD2 TYR 108 HD1 TYR 108 9.702 -2.016 -2.954 710 HE1 TYR 108 HE2 TYR 108 7.993 -1.217 -7.489 711 HE2 TYR 108 HE1 TYR 108 9.699 -3.840 -4.597 712 HH TYR 108 HH TYR 108 9.287 -3.351 -7.874 713 H ASN 109 H ASN 109 8.127 3.780 -3.561 714 HA ASN 109 HA ASN 109 9.320 5.016 -1.224 715 HB2 ASN 109 HB2 ASN 109 6.980 5.869 -2.957 716 HB3 ASN 109 HB3 ASN 109 7.656 6.836 -1.647 717 HD21 ASN 109 1HD2 ASN 109 8.052 5.750 -4.900 718 HD22 ASN 109 2HD2 ASN 109 9.433 6.722 -5.277 719 H TYR 110 H TYR 110 7.867 5.773 0.549 720 HA TYR 110 HA TYR 110 5.394 4.294 0.878 721 HB2 TYR 110 HB2 TYR 110 5.906 3.280 2.912 722 HB3 TYR 110 HB3 TYR 110 7.370 3.020 1.979 723 HD1 TYR 110 HD2 TYR 110 8.862 5.499 2.298 724 HD2 TYR 110 HD1 TYR 110 6.467 3.413 5.117 725 HE1 TYR 110 HE2 TYR 110 10.163 6.490 4.129 726 HE2 TYR 110 HE1 TYR 110 7.759 4.400 6.956 727 HH TYR 110 HH TYR 110 10.031 5.386 7.298 728 H ILE 111 H ILE 111 3.955 5.336 2.291 729 HA ILE 111 HA ILE 111 4.737 8.130 2.751 730 HB ILE 111 HB ILE 111 2.413 8.770 2.262 731 HG12 ILE 111 2HG1 ILE 111 2.028 5.923 1.322 732 HG13 ILE 111 3HG1 ILE 111 1.456 6.501 2.877 733 HG21 ILE 111 2HG2 ILE 111 2.507 8.346 -0.174 734 HG22 ILE 111 1HG2 ILE 111 3.777 7.156 0.109 735 HG23 ILE 111 3HG2 ILE 111 4.062 8.854 0.487 736 HD11 ILE 111 3HD1 ILE 111 -0.335 6.470 1.244 737 HD12 ILE 111 2HD1 ILE 111 0.599 7.516 0.171 738 HD13 ILE 111 1HD1 ILE 111 0.023 8.129 1.727 739 H HIS 112 H HIS 112 4.668 8.778 4.793 740 HA HIS 112 HA HIS 112 2.610 7.631 6.532 741 HB2 HIS 112 HB2 HIS 112 4.166 7.303 8.362 742 HB3 HIS 112 HB3 HIS 112 4.718 6.392 6.963 743 HD1 HIS 112 HD1 HIS 112 5.537 9.408 9.049 744 HD2 HIS 112 HD2 HIS 112 7.218 7.160 5.946 745 HE1 HIS 112 HE1 HIS 112 7.932 10.140 8.894 746 HE2 HIS 112 HE2 HIS 112 8.975 8.581 7.219 747 H ILE 113 H ILE 113 2.181 8.940 8.437 748 HA ILE 113 HA ILE 113 2.211 11.712 7.896 749 HB ILE 113 HB ILE 113 1.135 11.947 10.057 750 HG12 ILE 113 2HG1 ILE 113 2.490 10.147 11.220 751 HG13 ILE 113 3HG1 ILE 113 0.782 10.201 11.622 752 HG21 ILE 113 2HG2 ILE 113 -0.217 11.322 8.144 753 HG22 ILE 113 1HG2 ILE 113 -0.869 10.639 9.632 754 HG23 ILE 113 3HG2 ILE 113 0.036 9.616 8.516 755 HD11 ILE 113 3HD1 ILE 113 1.549 7.923 11.376 756 HD12 ILE 113 2HD1 ILE 113 2.097 8.261 9.733 757 HD13 ILE 113 1HD1 ILE 113 0.377 8.318 10.117 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 -9.155 5.108 19.619 2 H2 GLY 1 H2 GLY 1 -9.040 4.140 21.005 3 H3 GLY 1 H3 GLY 1 -9.964 5.560 21.041 4 HA2 GLY 1 HA2 GLY 1 -11.391 3.631 20.889 5 HA3 GLY 1 HA1 GLY 1 -11.517 4.636 19.452 6 H SER 2 H SER 2 -11.728 1.620 20.190 7 HA SER 2 HA SER 2 -10.074 0.675 17.942 8 HB2 SER 2 HB2 SER 2 -10.095 -1.555 19.225 9 HB3 SER 2 HB3 SER 2 -9.061 -0.271 19.848 10 HG SER 2 HG SER 2 -10.129 -0.438 21.636 11 H SER 3 H SER 3 -12.990 1.556 18.330 12 HA SER 3 HA SER 3 -14.453 -0.863 17.717 13 HB2 SER 3 HB2 SER 3 -15.341 2.028 17.811 14 HB3 SER 3 HB3 SER 3 -16.412 0.643 17.605 15 HG SER 3 HG SER 3 -15.535 -0.132 19.650 16 H ILE 4 H ILE 4 -14.144 -1.701 15.767 17 HA ILE 4 HA ILE 4 -15.094 -0.395 13.459 18 HB ILE 4 HB ILE 4 -13.046 0.845 13.421 19 HG12 ILE 4 2HG1 ILE 4 -12.891 -1.437 11.441 20 HG13 ILE 4 3HG1 ILE 4 -13.858 0.020 11.258 21 HG21 ILE 4 2HG2 ILE 4 -11.707 -0.554 14.892 22 HG22 ILE 4 1HG2 ILE 4 -10.837 -0.193 13.402 23 HG23 ILE 4 3HG2 ILE 4 -11.575 -1.778 13.627 24 HD11 ILE 4 3HD1 ILE 4 -11.820 1.361 11.195 25 HD12 ILE 4 2HD1 ILE 4 -11.839 0.137 9.927 26 HD13 ILE 4 1HD1 ILE 4 -10.854 -0.105 11.370 27 H SER 5 H SER 5 -16.153 -2.077 12.682 28 HA SER 5 HA SER 5 -14.751 -4.650 12.435 29 HB2 SER 5 HB2 SER 5 -17.170 -5.492 12.063 30 HB3 SER 5 HB3 SER 5 -16.707 -5.020 13.698 31 HG SER 5 HG SER 5 -18.475 -3.861 13.506 32 H HIS 6 H HIS 6 -13.725 -3.355 10.612 33 HA HIS 6 HA HIS 6 -13.605 -2.413 8.561 34 HB2 HIS 6 HB2 HIS 6 -14.058 -3.970 6.701 35 HB3 HIS 6 HB3 HIS 6 -13.144 -4.709 8.001 36 HD1 HIS 6 HD1 HIS 6 -14.225 -6.702 9.226 37 HD2 HIS 6 HD2 HIS 6 -16.624 -5.031 6.268 38 HE1 HIS 6 HE1 HIS 6 -16.090 -8.343 8.855 39 HE2 HIS 6 HE2 HIS 6 -17.635 -7.210 7.213 40 H SER 7 H SER 7 -14.928 -0.672 8.966 41 HA SER 7 HA SER 7 -17.763 -0.825 8.565 42 HB2 SER 7 HB2 SER 7 -16.077 1.655 8.930 43 HB3 SER 7 HB3 SER 7 -17.793 1.452 9.295 44 HG SER 7 HG SER 7 -16.613 1.279 11.206 45 H GLY 8 H GLY 8 -15.433 -0.893 6.355 46 HA2 GLY 8 HA1 GLY 8 -15.861 -0.751 4.033 47 HA3 GLY 8 HA2 GLY 8 -17.121 0.431 4.364 48 H ASN 9 H ASN 9 -15.138 0.763 2.400 49 HA ASN 9 HA ASN 9 -13.666 3.059 3.523 50 HB2 ASN 9 HB2 ASN 9 -12.732 1.171 1.343 51 HB3 ASN 9 HB3 ASN 9 -11.895 2.635 1.835 52 HD21 ASN 9 1HD2 ASN 9 -10.988 -0.107 1.818 53 HD22 ASN 9 2HD2 ASN 9 -10.514 -0.463 3.441 54 H LEU 10 H LEU 10 -13.039 4.619 1.724 55 HA LEU 10 HA LEU 10 -15.265 5.430 0.209 56 HB2 LEU 10 HB2 LEU 10 -12.347 6.098 -0.187 57 HB3 LEU 10 HB3 LEU 10 -13.688 6.957 -0.918 58 HG LEU 10 HG LEU 10 -13.097 6.817 2.040 59 HD11 LEU 10 2HD1 LEU 10 -12.563 9.196 1.793 60 HD12 LEU 10 1HD1 LEU 10 -12.790 9.057 0.049 61 HD13 LEU 10 3HD1 LEU 10 -11.483 8.176 0.842 62 HD21 LEU 10 3HD2 LEU 10 -14.870 8.479 2.259 63 HD22 LEU 10 2HD2 LEU 10 -15.493 6.980 1.570 64 HD23 LEU 10 1HD2 LEU 10 -15.195 8.372 0.529 65 H TYR 11 H TYR 11 -12.657 3.250 -0.443 66 HA TYR 11 HA TYR 11 -12.984 3.358 -3.310 67 HB2 TYR 11 HB2 TYR 11 -10.799 2.960 -1.850 68 HB3 TYR 11 HB3 TYR 11 -11.298 1.277 -1.984 69 HD1 TYR 11 HD2 TYR 11 -10.902 4.268 -4.190 70 HD2 TYR 11 HD1 TYR 11 -10.405 0.070 -3.739 71 HE1 TYR 11 HE2 TYR 11 -9.878 4.160 -6.422 72 HE2 TYR 11 HE1 TYR 11 -9.379 -0.054 -5.970 73 HH TYR 11 HH TYR 11 -8.393 2.728 -7.705 74 H THR 12 H THR 12 -12.572 0.706 -4.015 75 HA THR 12 HA THR 12 -15.299 -0.013 -4.238 76 HB THR 12 HB THR 12 -12.999 -1.771 -5.051 77 HG1 THR 12 HG1 THR 12 -13.991 0.329 -6.680 78 HG21 THR 12 3HG2 THR 12 -15.277 -2.628 -5.407 79 HG22 THR 12 1HG2 THR 12 -14.446 -2.317 -6.933 80 HG23 THR 12 2HG2 THR 12 -15.666 -1.185 -6.345 81 H ALA 13 H ALA 13 -13.169 -2.705 -3.848 82 HA ALA 13 HA ALA 13 -13.740 -3.401 -1.184 83 HB1 ALA 13 HB1 ALA 13 -15.328 -5.218 -1.552 84 HB2 ALA 13 HB2 ALA 13 -16.020 -3.673 -2.050 85 HB3 ALA 13 HB3 ALA 13 -15.419 -4.802 -3.264 86 H GLY 14 H GLY 14 -11.795 -4.278 -0.863 87 HA2 GLY 14 HA1 GLY 14 -10.224 -5.964 -0.882 88 HA3 GLY 14 HA2 GLY 14 -11.200 -6.804 -2.076 89 H GLN 15 H GLN 15 -10.183 -3.524 -2.630 90 HA GLN 15 HA GLN 15 -8.621 -4.457 -4.915 91 HB2 GLN 15 HB2 GLN 15 -9.183 -1.583 -4.204 92 HB3 GLN 15 HB3 GLN 15 -8.766 -2.250 -5.775 93 HG2 GLN 15 HG2 GLN 15 -11.343 -2.731 -4.295 94 HG3 GLN 15 HG3 GLN 15 -11.119 -1.592 -5.617 95 HE21 GLN 15 1HE2 GLN 15 -9.415 -3.373 -7.168 96 HE22 GLN 15 2HE2 GLN 15 -10.439 -4.613 -7.787 97 H CYS 16 H CYS 16 -6.651 -2.776 -5.337 98 HA CYS 16 HA CYS 16 -4.703 -3.589 -3.473 99 HB2 CYS 16 HB2 CYS 16 -3.262 -1.904 -4.805 100 HB3 CYS 16 HB3 CYS 16 -3.926 -3.293 -5.656 101 HG CYS 16 HG CYS 16 -4.909 -1.870 -7.540 102 H THR 17 H THR 17 -5.765 -0.264 -4.243 103 HA THR 17 HA THR 17 -4.465 0.863 -1.977 104 HB THR 17 HB THR 17 -5.805 2.910 -2.546 105 HG1 THR 17 HG1 THR 17 -6.928 2.657 -4.668 106 HG21 THR 17 3HG2 THR 17 -4.401 1.577 -4.863 107 HG22 THR 17 1HG2 THR 17 -3.626 2.512 -3.584 108 HG23 THR 17 2HG2 THR 17 -4.731 3.303 -4.709 109 H TRP 18 H TRP 18 -7.481 -0.676 -2.492 110 HA TRP 18 HA TRP 18 -8.934 0.440 -0.318 111 HB2 TRP 18 HB2 TRP 18 -9.973 -0.747 -2.256 112 HB3 TRP 18 HB3 TRP 18 -9.298 -2.254 -1.652 113 HD1 TRP 18 HD1 TRP 18 -12.158 0.153 -1.149 114 HE1 TRP 18 HE1 TRP 18 -13.821 -0.828 0.553 115 HE3 TRP 18 HE3 TRP 18 -9.368 -3.795 0.536 116 HZ2 TRP 18 HZ2 TRP 18 -13.928 -2.978 2.372 117 HZ3 TRP 18 HZ3 TRP 18 -10.331 -5.261 2.259 118 HH2 TRP 18 HH2 TRP 18 -12.563 -4.859 3.158 119 H TYR 19 H TYR 19 -7.134 -2.610 -0.756 120 HA TYR 19 HA TYR 19 -7.555 -3.626 1.827 121 HB2 TYR 19 HB2 TYR 19 -6.739 -4.985 -0.039 122 HB3 TYR 19 HB3 TYR 19 -5.234 -4.075 -0.062 123 HD1 TYR 19 HD2 TYR 19 -7.297 -6.044 2.361 124 HD2 TYR 19 HD1 TYR 19 -3.413 -5.033 0.963 125 HE1 TYR 19 HE2 TYR 19 -6.318 -7.655 3.938 126 HE2 TYR 19 HE1 TYR 19 -2.423 -6.638 2.535 127 HH TYR 19 HH TYR 19 -2.864 -7.853 4.446 128 H VAL 20 H VAL 20 -4.916 -1.698 0.494 129 HA VAL 20 HA VAL 20 -3.317 -1.477 2.756 130 HB VAL 20 HB VAL 20 -3.804 0.570 0.586 131 HG11 VAL 20 2HG1 VAL 20 -1.677 1.561 1.263 132 HG12 VAL 20 1HG1 VAL 20 -1.569 0.420 2.604 133 HG13 VAL 20 3HG1 VAL 20 -2.857 1.625 2.572 134 HG21 VAL 20 3HG2 VAL 20 -1.719 -0.301 -0.362 135 HG22 VAL 20 2HG2 VAL 20 -2.951 -1.556 -0.243 136 HG23 VAL 20 1HG2 VAL 20 -1.634 -1.498 0.930 137 H TYR 21 H TYR 21 -6.000 0.620 1.720 138 HA TYR 21 HA TYR 21 -5.761 2.472 3.829 139 HB2 TYR 21 HB2 TYR 21 -6.993 2.767 1.622 140 HB3 TYR 21 HB3 TYR 21 -8.303 1.835 2.336 141 HD1 TYR 21 HD2 TYR 21 -6.235 4.879 2.953 142 HD2 TYR 21 HD1 TYR 21 -9.971 2.915 3.519 143 HE1 TYR 21 HE2 TYR 21 -7.158 6.924 3.949 144 HE2 TYR 21 HE1 TYR 21 -10.900 4.956 4.514 145 HH TYR 21 HH TYR 21 -10.081 6.989 5.656 146 H ASP 22 H ASP 22 -7.586 -0.523 3.502 147 HA ASP 22 HA ASP 22 -9.102 -0.207 5.892 148 HB2 ASP 22 HB2 ASP 22 -9.836 -1.729 4.126 149 HB3 ASP 22 HB3 ASP 22 -8.395 -2.714 4.354 150 H LYS 23 H LYS 23 -6.090 -1.900 5.119 151 HA LYS 23 HA LYS 23 -5.764 -3.114 7.647 152 HB2 LYS 23 HB2 LYS 23 -3.826 -2.503 5.428 153 HB3 LYS 23 HB3 LYS 23 -3.352 -3.358 6.888 154 HG2 LYS 23 HG2 LYS 23 -5.596 -4.287 5.122 155 HG3 LYS 23 HG3 LYS 23 -3.918 -4.782 4.888 156 HD2 LYS 23 HD2 LYS 23 -5.392 -5.136 7.493 157 HD3 LYS 23 HD3 LYS 23 -5.358 -6.369 6.230 158 HE2 LYS 23 HE2 LYS 23 -2.895 -6.380 6.347 159 HE3 LYS 23 HE3 LYS 23 -2.968 -5.197 7.651 160 HZ1 LYS 23 HZ1 LYS 23 -3.940 -6.751 9.090 161 HZ2 LYS 23 HZ2 LYS 23 -2.701 -7.609 8.302 162 HZ3 LYS 23 HZ3 LYS 23 -4.315 -7.828 7.835 163 H VAL 24 H VAL 24 -5.008 0.096 6.517 164 HA VAL 24 HA VAL 24 -3.413 0.623 8.902 165 HB VAL 24 HB VAL 24 -3.098 2.883 8.038 166 HG11 VAL 24 2HG1 VAL 24 -1.574 1.132 7.312 167 HG12 VAL 24 1HG1 VAL 24 -1.810 2.327 6.036 168 HG13 VAL 24 3HG1 VAL 24 -2.627 0.766 5.945 169 HG21 VAL 24 3HG2 VAL 24 -5.259 3.228 6.979 170 HG22 VAL 24 2HG2 VAL 24 -4.870 2.019 5.753 171 HG23 VAL 24 1HG2 VAL 24 -3.954 3.525 5.829 172 H GLY 25 H GLY 25 -6.588 0.318 8.334 173 HA2 GLY 25 HA1 GLY 25 -8.444 0.906 9.549 174 HA3 GLY 25 HA2 GLY 25 -7.353 1.599 10.741 175 H GLY 26 H GLY 26 -7.344 2.651 7.415 176 HA2 GLY 26 HA1 GLY 26 -7.968 4.636 6.443 177 HA3 GLY 26 HA2 GLY 26 -9.086 4.876 7.777 178 H GLU 27 H GLU 27 -5.782 4.328 8.562 179 HA GLU 27 HA GLU 27 -5.472 6.703 9.994 180 HB2 GLU 27 HB2 GLU 27 -4.117 4.569 10.204 181 HB3 GLU 27 HB3 GLU 27 -3.213 5.102 8.796 182 HG2 GLU 27 HG2 GLU 27 -1.991 5.650 10.776 183 HG3 GLU 27 HG3 GLU 27 -2.568 7.137 10.023 184 H ILE 28 H ILE 28 -3.911 5.811 6.930 185 HA ILE 28 HA ILE 28 -3.878 8.670 6.232 186 HB ILE 28 HB ILE 28 -1.785 8.569 5.334 187 HG12 ILE 28 2HG1 ILE 28 -2.390 6.795 3.673 188 HG13 ILE 28 3HG1 ILE 28 -0.729 6.704 4.243 189 HG21 ILE 28 2HG2 ILE 28 -0.266 7.178 6.676 190 HG22 ILE 28 1HG2 ILE 28 -1.659 6.291 7.299 191 HG23 ILE 28 3HG2 ILE 28 -1.476 8.011 7.653 192 HD11 ILE 28 3HD1 ILE 28 -3.039 4.914 4.957 193 HD12 ILE 28 2HD1 ILE 28 -1.496 4.895 5.821 194 HD13 ILE 28 1HD1 ILE 28 -1.549 4.495 4.103 195 H GLY 29 H GLY 29 -4.365 9.184 4.028 196 HA2 GLY 29 HA1 GLY 29 -4.372 8.029 1.768 197 HA3 GLY 29 HA2 GLY 29 -5.501 6.920 2.530 198 H SER 30 H SER 30 -7.132 7.297 1.183 199 HA SER 30 HA SER 30 -9.053 8.142 0.418 200 HB2 SER 30 HB2 SER 30 -10.276 9.779 1.627 201 HB3 SER 30 HB3 SER 30 -9.361 8.868 2.822 202 HG SER 30 HG SER 30 -7.819 10.595 2.803 203 H THR 31 H THR 31 -6.532 10.594 0.786 204 HA THR 31 HA THR 31 -7.525 11.937 -1.625 205 HB THR 31 HB THR 31 -5.760 13.682 -0.853 206 HG1 THR 31 HG1 THR 31 -6.172 12.906 1.751 207 HG21 THR 31 3HG2 THR 31 -8.230 13.179 0.813 208 HG22 THR 31 1HG2 THR 31 -8.190 14.029 -0.733 209 HG23 THR 31 2HG2 THR 31 -7.368 14.711 0.671 210 H TRP 32 H TRP 32 -5.493 9.470 -1.103 211 HA TRP 32 HA TRP 32 -3.173 10.505 -2.482 212 HB2 TRP 32 HB2 TRP 32 -2.206 8.282 -2.218 213 HB3 TRP 32 HB3 TRP 32 -2.848 8.875 -0.692 214 HD1 TRP 32 HD1 TRP 32 -5.042 7.241 -3.364 215 HE1 TRP 32 HE1 TRP 32 -5.989 5.070 -2.440 216 HE3 TRP 32 HE3 TRP 32 -2.442 7.071 1.015 217 HZ2 TRP 32 HZ2 TRP 32 -5.688 3.452 -0.125 218 HZ3 TRP 32 HZ3 TRP 32 -2.828 5.163 2.533 219 HH2 TRP 32 HH2 TRP 32 -4.413 3.398 1.975 220 H GLY 33 H GLY 33 -6.136 9.397 -3.507 221 HA2 GLY 33 HA1 GLY 33 -6.889 9.059 -5.684 222 HA3 GLY 33 HA2 GLY 33 -5.220 9.204 -6.220 223 H ASN 34 H ASN 34 -4.548 7.471 -7.224 224 HA ASN 34 HA ASN 34 -5.217 4.870 -6.034 225 HB2 ASN 34 HB2 ASN 34 -4.665 5.470 -8.950 226 HB3 ASN 34 HB3 ASN 34 -4.861 3.859 -8.268 227 HD21 ASN 34 1HD2 ASN 34 -6.434 6.756 -9.253 228 HD22 ASN 34 2HD2 ASN 34 -8.061 6.174 -9.092 229 H ALA 35 H ALA 35 -3.398 3.271 -7.244 230 HA ALA 35 HA ALA 35 -1.341 3.595 -5.401 231 HB1 ALA 35 HB1 ALA 35 -1.355 1.845 -7.846 232 HB2 ALA 35 HB2 ALA 35 -0.319 1.660 -6.431 233 HB3 ALA 35 HB3 ALA 35 -2.062 1.440 -6.281 234 H ASN 36 H ASN 36 -1.172 4.091 -8.959 235 HA ASN 36 HA ASN 36 1.611 4.783 -8.785 236 HB2 ASN 36 HB2 ASN 36 1.517 5.182 -11.160 237 HB3 ASN 36 HB3 ASN 36 0.605 3.720 -10.802 238 HD21 ASN 36 1HD2 ASN 36 0.453 5.473 -13.099 239 HD22 ASN 36 2HD2 ASN 36 -1.182 6.022 -13.185 240 H ASN 37 H ASN 37 -1.060 6.471 -7.918 241 HA ASN 37 HA ASN 37 0.078 9.082 -8.658 242 HB2 ASN 37 HB2 ASN 37 -2.268 8.643 -9.337 243 HB3 ASN 37 HB3 ASN 37 -2.695 8.367 -7.657 244 HD21 ASN 37 1HD2 ASN 37 -3.130 10.065 -6.362 245 HD22 ASN 37 2HD2 ASN 37 -3.149 11.717 -6.896 246 H TRP 38 H TRP 38 0.309 6.909 -6.315 247 HA TRP 38 HA TRP 38 -0.538 7.995 -3.926 248 HB2 TRP 38 HB2 TRP 38 1.252 5.871 -4.754 249 HB3 TRP 38 HB3 TRP 38 1.760 6.634 -3.241 250 HD1 TRP 38 HD1 TRP 38 -1.836 5.822 -4.464 251 HE1 TRP 38 HE1 TRP 38 -2.961 4.434 -2.639 252 HE3 TRP 38 HE3 TRP 38 2.116 5.388 -1.280 253 HZ2 TRP 38 HZ2 TRP 38 -2.239 3.291 -0.105 254 HZ3 TRP 38 HZ3 TRP 38 1.834 4.141 0.809 255 HH2 TRP 38 HH2 TRP 38 -0.285 3.110 1.380 256 H ALA 39 H ALA 39 2.899 7.941 -4.882 257 HA ALA 39 HA ALA 39 3.827 9.397 -2.742 258 HB1 ALA 39 HB1 ALA 39 4.984 9.351 -5.526 259 HB2 ALA 39 HB2 ALA 39 5.840 9.820 -4.056 260 HB3 ALA 39 HB3 ALA 39 5.280 8.160 -4.258 261 H ALA 40 H ALA 40 2.589 10.619 -5.802 262 HA ALA 40 HA ALA 40 3.270 13.338 -5.325 263 HB1 ALA 40 HB1 ALA 40 1.846 13.814 -7.232 264 HB2 ALA 40 HB2 ALA 40 2.886 12.429 -7.564 265 HB3 ALA 40 HB3 ALA 40 1.187 12.179 -7.165 266 H ALA 41 H ALA 41 0.241 11.496 -5.010 267 HA ALA 41 HA ALA 41 -1.307 13.705 -4.117 268 HB1 ALA 41 HB1 ALA 41 -2.286 11.728 -5.190 269 HB2 ALA 41 HB2 ALA 41 -1.851 10.753 -3.786 270 HB3 ALA 41 HB3 ALA 41 -3.024 12.061 -3.625 271 H ALA 42 H ALA 42 0.384 11.088 -2.460 272 HA ALA 42 HA ALA 42 -0.548 11.475 0.133 273 HB1 ALA 42 HB1 ALA 42 0.782 9.554 -0.478 274 HB2 ALA 42 HB2 ALA 42 2.180 10.583 -0.802 275 HB3 ALA 42 HB3 ALA 42 1.570 10.417 0.844 276 H GLN 43 H GLN 43 2.111 13.092 -1.592 277 HA GLN 43 HA GLN 43 3.006 14.622 0.625 278 HB2 GLN 43 HB2 GLN 43 3.324 15.089 -2.345 279 HB3 GLN 43 HB3 GLN 43 4.150 16.019 -1.101 280 HG2 GLN 43 HG2 GLN 43 5.183 13.907 -0.297 281 HG3 GLN 43 HG3 GLN 43 4.453 13.079 -1.676 282 HE21 GLN 43 1HE2 GLN 43 6.861 15.340 -0.629 283 HE22 GLN 43 2HE2 GLN 43 7.751 15.404 -2.114 284 H GLY 44 H GLY 44 0.686 15.235 -1.972 285 HA2 GLY 44 HA1 GLY 44 0.152 17.938 -1.252 286 HA3 GLY 44 HA2 GLY 44 -0.867 16.912 -2.253 287 H ALA 45 H ALA 45 -1.153 14.845 -0.263 288 HA ALA 45 HA ALA 45 -3.345 15.862 1.230 289 HB1 ALA 45 HB1 ALA 45 -1.863 13.254 1.541 290 HB2 ALA 45 HB2 ALA 45 -3.454 13.635 2.203 291 HB3 ALA 45 HB3 ALA 45 -3.225 13.542 0.458 292 H GLY 46 H GLY 46 0.032 15.247 1.941 293 HA2 GLY 46 HA1 GLY 46 1.027 16.753 3.599 294 HA3 GLY 46 HA2 GLY 46 -0.404 16.491 4.581 295 H PHE 47 H PHE 47 1.002 13.792 2.904 296 HA PHE 47 HA PHE 47 1.730 12.618 5.476 297 HB2 PHE 47 HB2 PHE 47 1.964 11.341 2.743 298 HB3 PHE 47 HB3 PHE 47 1.994 10.530 4.300 299 HD1 PHE 47 HD1 PHE 47 -0.481 12.520 5.129 300 HD2 PHE 47 HD2 PHE 47 0.312 9.623 2.118 301 HE1 PHE 47 HE1 PHE 47 -2.895 12.086 4.908 302 HE2 PHE 47 HE2 PHE 47 -2.093 9.172 1.888 303 HZ PHE 47 HZ PHE 47 -3.700 10.420 3.280 304 H THR 48 H THR 48 3.823 11.832 5.921 305 HA THR 48 HA THR 48 5.973 13.242 4.602 306 HB THR 48 HB THR 48 6.229 11.124 6.749 307 HG1 THR 48 HG1 THR 48 5.054 12.549 7.866 308 HG21 THR 48 3HG2 THR 48 8.307 11.793 5.624 309 HG22 THR 48 1HG2 THR 48 8.284 12.337 7.302 310 HG23 THR 48 2HG2 THR 48 7.966 13.483 5.998 311 H VAL 49 H VAL 49 6.703 12.482 2.727 312 HA VAL 49 HA VAL 49 6.358 9.668 2.080 313 HB VAL 49 HB VAL 49 7.036 12.094 0.437 314 HG11 VAL 49 2HG1 VAL 49 8.464 10.274 -0.387 315 HG12 VAL 49 1HG1 VAL 49 7.191 10.666 -1.541 316 HG13 VAL 49 3HG1 VAL 49 7.050 9.227 -0.531 317 HG21 VAL 49 3HG2 VAL 49 4.983 11.432 -0.743 318 HG22 VAL 49 2HG2 VAL 49 4.702 11.721 0.975 319 HG23 VAL 49 1HG2 VAL 49 4.805 10.071 0.366 320 H ASN 50 H ASN 50 7.873 8.252 2.386 321 HA ASN 50 HA ASN 50 10.684 9.018 2.109 322 HB2 ASN 50 HB2 ASN 50 9.538 6.914 3.979 323 HB3 ASN 50 HB3 ASN 50 11.231 7.335 3.815 324 HD21 ASN 50 1HD2 ASN 50 11.324 7.660 6.023 325 HD22 ASN 50 2HD2 ASN 50 10.687 9.091 6.755 326 H HIS 51 H HIS 51 11.586 6.379 2.252 327 HA HIS 51 HA HIS 51 9.984 4.712 0.594 328 HB2 HIS 51 HB2 HIS 51 11.657 4.466 -1.243 329 HB3 HIS 51 HB3 HIS 51 10.919 6.057 -1.175 330 HD1 HIS 51 HD1 HIS 51 14.118 4.447 -1.496 331 HD2 HIS 51 HD2 HIS 51 12.748 8.022 0.132 332 HE1 HIS 51 HE1 HIS 51 16.139 5.926 -1.309 333 HE2 HIS 51 HE2 HIS 51 15.264 8.133 -0.480 334 H THR 52 H THR 52 10.330 3.795 2.757 335 HA THR 52 HA THR 52 12.257 1.664 2.595 336 HB THR 52 HB THR 52 12.327 3.520 4.998 337 HG1 THR 52 HG1 THR 52 13.818 3.415 2.648 338 HG21 THR 52 3HG2 THR 52 14.232 2.141 5.704 339 HG22 THR 52 1HG2 THR 52 13.999 1.097 4.299 340 HG23 THR 52 2HG2 THR 52 12.763 1.179 5.554 341 HA PRO 53 HA PRO 53 8.107 0.467 4.135 342 HB2 PRO 53 HB2 PRO 53 8.485 -2.201 3.565 343 HB3 PRO 53 HB3 PRO 53 7.852 -1.011 2.422 344 HG2 PRO 53 HG2 PRO 53 10.645 -2.051 2.720 345 HG3 PRO 53 HG3 PRO 53 9.709 -1.762 1.240 346 HD2 PRO 53 HD2 PRO 53 11.570 -0.029 2.043 347 HD3 PRO 53 HD3 PRO 53 10.039 0.531 1.330 348 H SER 54 H SER 54 7.384 -0.627 5.920 349 HA SER 54 HA SER 54 8.969 -2.334 7.536 350 HB2 SER 54 HB2 SER 54 10.054 -0.153 8.078 351 HB3 SER 54 HB3 SER 54 8.488 0.481 8.578 352 HG SER 54 HG SER 54 9.106 -0.248 10.457 353 H LYS 55 H LYS 55 7.683 -2.554 9.773 354 HA LYS 55 HA LYS 55 5.075 -3.327 9.055 355 HB2 LYS 55 HB2 LYS 55 6.256 -4.399 10.894 356 HB3 LYS 55 HB3 LYS 55 6.286 -2.890 11.795 357 HG2 LYS 55 HG2 LYS 55 3.892 -2.936 12.044 358 HG3 LYS 55 HG3 LYS 55 3.780 -4.369 11.021 359 HD2 LYS 55 HD2 LYS 55 5.089 -5.633 12.662 360 HD3 LYS 55 HD3 LYS 55 5.186 -4.197 13.683 361 HE2 LYS 55 HE2 LYS 55 3.444 -5.682 14.484 362 HE3 LYS 55 HE3 LYS 55 2.744 -4.181 13.879 363 HZ1 LYS 55 HZ1 LYS 55 2.826 -6.783 12.440 364 HZ2 LYS 55 HZ2 LYS 55 2.209 -5.337 11.800 365 HZ3 LYS 55 HZ3 LYS 55 1.460 -6.057 13.138 366 H GLY 56 H GLY 56 3.311 -2.129 8.777 367 HA2 GLY 56 HA1 GLY 56 1.691 -0.533 9.421 368 HA3 GLY 56 HA2 GLY 56 2.901 0.254 10.428 369 H ALA 57 H ALA 57 4.154 -0.521 7.428 370 HA ALA 57 HA ALA 57 3.667 2.212 6.444 371 HB1 ALA 57 HB1 ALA 57 5.797 2.034 5.265 372 HB2 ALA 57 HB2 ALA 57 6.003 1.801 7.005 373 HB3 ALA 57 HB3 ALA 57 6.025 0.409 5.921 374 H ILE 58 H ILE 58 4.559 1.908 3.846 375 HA ILE 58 HA ILE 58 2.825 -0.173 2.727 376 HB ILE 58 HB ILE 58 2.822 2.359 1.244 377 HG12 ILE 58 2HG1 ILE 58 2.544 2.960 3.743 378 HG13 ILE 58 3HG1 ILE 58 1.348 3.549 2.606 379 HG21 ILE 58 2HG2 ILE 58 0.474 1.696 0.901 380 HG22 ILE 58 1HG2 ILE 58 0.718 0.334 1.993 381 HG23 ILE 58 3HG2 ILE 58 1.607 0.416 0.474 382 HD11 ILE 58 3HD1 ILE 58 1.023 1.162 4.396 383 HD12 ILE 58 2HD1 ILE 58 -0.187 1.798 3.282 384 HD13 ILE 58 1HD1 ILE 58 0.331 2.761 4.665 385 H LEU 59 H LEU 59 3.105 0.232 0.108 386 HA LEU 59 HA LEU 59 5.956 0.532 -0.506 387 HB2 LEU 59 HB2 LEU 59 5.129 -1.914 -0.220 388 HB3 LEU 59 HB3 LEU 59 4.290 -1.651 -1.734 389 HG LEU 59 HG LEU 59 6.628 -0.947 -2.605 390 HD11 LEU 59 2HD1 LEU 59 7.721 -0.905 -0.433 391 HD12 LEU 59 1HD1 LEU 59 8.472 -2.095 -1.498 392 HD13 LEU 59 3HD1 LEU 59 7.376 -2.622 -0.221 393 HD21 LEU 59 3HD2 LEU 59 5.392 -2.883 -3.390 394 HD22 LEU 59 2HD2 LEU 59 5.941 -3.813 -1.997 395 HD23 LEU 59 1HD2 LEU 59 7.103 -3.270 -3.208 396 H GLN 60 H GLN 60 6.266 0.874 -2.900 397 HA GLN 60 HA GLN 60 3.934 1.597 -4.432 398 HB2 GLN 60 HB2 GLN 60 3.876 3.670 -3.511 399 HB3 GLN 60 HB3 GLN 60 5.552 3.608 -2.998 400 HG2 GLN 60 HG2 GLN 60 5.309 5.363 -4.571 401 HG3 GLN 60 HG3 GLN 60 6.236 4.075 -5.339 402 HE21 GLN 60 1HE2 GLN 60 2.790 3.949 -4.886 403 HE22 GLN 60 2HE2 GLN 60 2.360 4.133 -6.546 404 H SER 61 H SER 61 4.231 1.162 -6.415 405 HA SER 61 HA SER 61 6.770 1.786 -7.718 406 HB2 SER 61 HB2 SER 61 6.786 -0.645 -7.258 407 HB3 SER 61 HB3 SER 61 5.237 -0.803 -8.085 408 HG SER 61 HG SER 61 7.494 0.307 -9.381 409 H SER 62 H SER 62 6.501 2.366 -9.930 410 HA SER 62 HA SER 62 3.700 2.937 -10.657 411 HB2 SER 62 HB2 SER 62 6.220 4.412 -11.458 412 HB3 SER 62 HB3 SER 62 4.581 4.840 -11.951 413 HG SER 62 HG SER 62 4.923 4.564 -9.224 414 H GLU 63 H GLU 63 5.299 0.491 -11.186 415 HA GLU 63 HA GLU 63 5.841 0.573 -14.034 416 HB2 GLU 63 HB2 GLU 63 5.881 -1.813 -12.180 417 HB3 GLU 63 HB3 GLU 63 6.599 -1.707 -13.780 418 HG2 GLU 63 HG2 GLU 63 7.469 -0.253 -11.298 419 HG3 GLU 63 HG3 GLU 63 8.323 -1.547 -12.135 420 H GLY 64 H GLY 64 3.091 1.040 -13.185 421 HA2 GLY 64 HA1 GLY 64 1.782 -0.917 -14.852 422 HA3 GLY 64 HA2 GLY 64 1.319 -1.005 -13.158 423 HA PRO 65 HA PRO 65 -1.033 2.311 -15.712 424 HB2 PRO 65 HB2 PRO 65 -3.481 1.080 -15.703 425 HB3 PRO 65 HB3 PRO 65 -2.305 0.934 -17.013 426 HG2 PRO 65 HG2 PRO 65 -2.891 -0.953 -14.773 427 HG3 PRO 65 HG3 PRO 65 -2.545 -1.303 -16.477 428 HD2 PRO 65 HD2 PRO 65 -0.687 -1.589 -14.532 429 HD3 PRO 65 HD3 PRO 65 -0.265 -1.102 -16.185 430 H PHE 66 H PHE 66 -2.263 0.284 -13.058 431 HA PHE 66 HA PHE 66 -3.528 2.602 -11.835 432 HB2 PHE 66 HB2 PHE 66 -3.463 -0.316 -11.053 433 HB3 PHE 66 HB3 PHE 66 -4.228 0.929 -10.074 434 HD1 PHE 66 HD2 PHE 66 -6.134 2.241 -11.071 435 HD2 PHE 66 HD1 PHE 66 -4.587 -1.304 -12.845 436 HE1 PHE 66 HE2 PHE 66 -8.213 1.983 -12.362 437 HE2 PHE 66 HE1 PHE 66 -6.664 -1.572 -14.133 438 HZ PHE 66 HZ PHE 66 -8.480 0.071 -13.892 439 H GLY 67 H GLY 67 -0.611 0.864 -11.712 440 HA2 GLY 67 HA1 GLY 67 1.310 1.554 -10.528 441 HA3 GLY 67 HA2 GLY 67 0.272 2.402 -9.388 442 H HIS 68 H HIS 68 2.085 1.062 -8.132 443 HA HIS 68 HA HIS 68 0.745 -1.410 -7.239 444 HB2 HIS 68 HB2 HIS 68 2.810 -1.829 -8.680 445 HB3 HIS 68 HB3 HIS 68 3.738 -1.072 -7.378 446 HD1 HIS 68 HD1 HIS 68 4.874 -3.605 -7.447 447 HD2 HIS 68 HD2 HIS 68 1.033 -3.248 -5.868 448 HE1 HIS 68 HE1 HIS 68 4.494 -5.685 -6.081 449 HE2 HIS 68 HE2 HIS 68 2.186 -5.429 -5.089 450 H VAL 69 H VAL 69 -0.096 -0.338 -5.352 451 HA VAL 69 HA VAL 69 2.058 0.116 -3.408 452 HB VAL 69 HB VAL 69 0.513 1.440 -2.059 453 HG11 VAL 69 2HG1 VAL 69 1.962 2.560 -3.650 454 HG12 VAL 69 1HG1 VAL 69 0.415 3.401 -3.537 455 HG13 VAL 69 3HG1 VAL 69 0.752 2.361 -4.920 456 HG21 VAL 69 3HG2 VAL 69 -1.644 2.161 -2.944 457 HG22 VAL 69 2HG2 VAL 69 -1.599 0.408 -2.754 458 HG23 VAL 69 1HG2 VAL 69 -1.424 1.128 -4.355 459 H ALA 70 H ALA 70 2.183 -1.163 -1.701 460 HA ALA 70 HA ALA 70 -0.060 -2.947 -1.078 461 HB1 ALA 70 HB1 ALA 70 2.806 -3.831 -1.419 462 HB2 ALA 70 HB2 ALA 70 1.471 -4.844 -0.866 463 HB3 ALA 70 HB3 ALA 70 1.470 -4.202 -2.510 464 H TYR 71 H TYR 71 -0.319 -3.341 1.069 465 HA TYR 71 HA TYR 71 1.005 -1.495 2.821 466 HB2 TYR 71 HB2 TYR 71 -1.294 -1.710 3.221 467 HB3 TYR 71 HB3 TYR 71 -1.238 -3.471 3.131 468 HD1 TYR 71 HD2 TYR 71 -0.281 -0.567 5.240 469 HD2 TYR 71 HD1 TYR 71 -0.904 -4.775 5.043 470 HE1 TYR 71 HE2 TYR 71 -0.103 -0.701 7.691 471 HE2 TYR 71 HE1 TYR 71 -0.728 -4.915 7.497 472 HH TYR 71 HH TYR 71 -0.710 -2.124 9.514 473 H VAL 72 H VAL 72 2.471 -1.896 4.374 474 HA VAL 72 HA VAL 72 3.813 -4.494 4.247 475 HB VAL 72 HB VAL 72 4.777 -2.086 5.771 476 HG11 VAL 72 2HG1 VAL 72 6.125 -4.508 4.597 477 HG12 VAL 72 1HG1 VAL 72 5.958 -4.075 6.304 478 HG13 VAL 72 3HG1 VAL 72 6.997 -3.118 5.245 479 HG21 VAL 72 3HG2 VAL 72 5.233 -2.660 2.843 480 HG22 VAL 72 2HG2 VAL 72 6.076 -1.429 3.786 481 HG23 VAL 72 1HG2 VAL 72 4.336 -1.295 3.521 482 H GLU 73 H GLU 73 3.566 -5.973 5.829 483 HA GLU 73 HA GLU 73 2.095 -5.130 8.218 484 HB2 GLU 73 HB2 GLU 73 2.588 -7.893 7.097 485 HB3 GLU 73 HB3 GLU 73 1.685 -7.555 8.568 486 HG2 GLU 73 HG2 GLU 73 0.179 -6.112 7.114 487 HG3 GLU 73 HG3 GLU 73 0.968 -6.884 5.740 488 H SER 74 H SER 74 5.223 -6.113 7.233 489 HA SER 74 HA SER 74 6.333 -5.761 9.797 490 HB2 SER 74 HB2 SER 74 7.101 -8.173 10.098 491 HB3 SER 74 HB3 SER 74 5.399 -7.852 10.436 492 HG SER 74 HG SER 74 4.821 -8.950 8.696 493 H VAL 75 H VAL 75 8.609 -6.018 9.845 494 HA VAL 75 HA VAL 75 9.861 -6.386 7.204 495 HB VAL 75 HB VAL 75 10.299 -4.171 8.176 496 HG11 VAL 75 2HG1 VAL 75 11.662 -3.934 10.205 497 HG12 VAL 75 1HG1 VAL 75 11.561 -5.676 10.466 498 HG13 VAL 75 3HG1 VAL 75 10.102 -4.687 10.537 499 HG21 VAL 75 3HG2 VAL 75 12.761 -4.209 8.044 500 HG22 VAL 75 2HG2 VAL 75 12.006 -5.147 6.754 501 HG23 VAL 75 1HG2 VAL 75 12.722 -5.969 8.138 502 H ASN 76 H ASN 76 11.503 -7.879 6.987 503 HA ASN 76 HA ASN 76 11.379 -9.997 8.964 504 HB2 ASN 76 HB2 ASN 76 12.697 -9.911 6.242 505 HB3 ASN 76 HB3 ASN 76 12.547 -11.343 7.257 506 HD21 ASN 76 1HD2 ASN 76 11.524 -10.763 4.561 507 HD22 ASN 76 2HD2 ASN 76 9.814 -11.030 4.656 508 H SER 77 H SER 77 13.552 -11.273 9.154 509 HA SER 77 HA SER 77 15.259 -9.551 10.667 510 HB2 SER 77 HB2 SER 77 14.642 -11.903 11.286 511 HB3 SER 77 HB3 SER 77 15.667 -12.465 9.969 512 HG SER 77 HG SER 77 17.225 -10.903 11.259 513 H ASP 78 H ASP 78 15.406 -11.006 7.489 514 HA ASP 78 HA ASP 78 18.234 -10.630 7.148 515 HB2 ASP 78 HB2 ASP 78 17.895 -11.358 4.875 516 HB3 ASP 78 HB3 ASP 78 16.900 -12.364 5.922 517 H GLY 79 H GLY 79 15.423 -8.667 6.721 518 HA2 GLY 79 HA1 GLY 79 16.001 -6.231 6.598 519 HA3 GLY 79 HA2 GLY 79 17.054 -6.680 5.264 520 H SER 80 H SER 80 14.876 -8.705 4.507 521 HA SER 80 HA SER 80 13.474 -7.011 2.690 522 HB2 SER 80 HB2 SER 80 12.342 -9.068 1.974 523 HB3 SER 80 HB3 SER 80 14.079 -9.337 2.115 524 HG SER 80 HG SER 80 13.772 -10.499 3.953 525 H VAL 81 H VAL 81 11.091 -6.889 2.567 526 HA VAL 81 HA VAL 81 9.904 -6.953 5.262 527 HB VAL 81 HB VAL 81 8.419 -5.119 4.587 528 HG11 VAL 81 2HG1 VAL 81 11.342 -4.488 4.200 529 HG12 VAL 81 1HG1 VAL 81 10.497 -4.600 5.744 530 HG13 VAL 81 3HG1 VAL 81 10.078 -3.325 4.602 531 HG21 VAL 81 3HG2 VAL 81 10.056 -5.047 2.053 532 HG22 VAL 81 2HG2 VAL 81 8.842 -3.861 2.532 533 HG23 VAL 81 1HG2 VAL 81 8.363 -5.522 2.184 534 H THR 82 H THR 82 7.852 -7.734 5.517 535 HA THR 82 HA THR 82 6.823 -9.349 3.308 536 HB THR 82 HB THR 82 6.062 -9.340 6.242 537 HG1 THR 82 HG1 THR 82 7.966 -10.357 6.227 538 HG21 THR 82 3HG2 THR 82 4.210 -10.064 4.792 539 HG22 THR 82 1HG2 THR 82 4.852 -11.404 5.742 540 HG23 THR 82 2HG2 THR 82 5.272 -11.252 4.036 541 H ILE 83 H ILE 83 5.468 -8.285 2.028 542 HA ILE 83 HA ILE 83 3.655 -6.297 3.217 543 HB ILE 83 HB ILE 83 3.374 -5.396 0.953 544 HG12 ILE 83 2HG1 ILE 83 5.470 -7.415 0.116 545 HG13 ILE 83 3HG1 ILE 83 3.754 -7.557 -0.246 546 HG21 ILE 83 2HG2 ILE 83 6.261 -5.688 1.773 547 HG22 ILE 83 1HG2 ILE 83 5.124 -4.472 2.357 548 HG23 ILE 83 3HG2 ILE 83 5.629 -4.469 0.668 549 HD11 ILE 83 3HD1 ILE 83 3.850 -5.530 -1.573 550 HD12 ILE 83 2HD1 ILE 83 5.028 -6.712 -2.144 551 HD13 ILE 83 1HD1 ILE 83 5.558 -5.337 -1.174 552 H SER 84 H SER 84 1.466 -6.218 2.477 553 HA SER 84 HA SER 84 0.551 -8.552 0.982 554 HB2 SER 84 HB2 SER 84 -1.489 -8.624 2.487 555 HB3 SER 84 HB3 SER 84 0.013 -9.197 3.206 556 HG SER 84 HG SER 84 -0.269 -7.757 4.681 557 H GLU 85 H GLU 85 -0.917 -8.142 -0.478 558 HA GLU 85 HA GLU 85 -2.323 -5.579 -0.512 559 HB2 GLU 85 HB2 GLU 85 -1.901 -5.402 -2.950 560 HB3 GLU 85 HB3 GLU 85 -0.411 -5.319 -2.017 561 HG2 GLU 85 HG2 GLU 85 -0.074 -7.741 -2.483 562 HG3 GLU 85 HG3 GLU 85 -1.468 -7.674 -3.558 563 H MET 86 H MET 86 -4.048 -5.796 -2.438 564 HA MET 86 HA MET 86 -4.968 -8.539 -2.686 565 HB2 MET 86 HB2 MET 86 -5.934 -7.608 -0.546 566 HB3 MET 86 HB3 MET 86 -6.794 -6.432 -1.529 567 HG2 MET 86 HG2 MET 86 -8.238 -7.972 -2.382 568 HG3 MET 86 HG3 MET 86 -7.099 -9.305 -2.207 569 HE1 MET 86 HE1 MET 86 -7.868 -6.748 0.662 570 HE2 MET 86 HE2 MET 86 -9.406 -6.801 -0.201 571 HE3 MET 86 HE3 MET 86 -9.281 -7.474 1.424 572 H ASN 87 H ASN 87 -5.832 -8.903 -4.599 573 HA ASN 87 HA ASN 87 -6.810 -8.639 -6.629 574 HB2 ASN 87 HB2 ASN 87 -8.539 -7.272 -5.540 575 HB3 ASN 87 HB3 ASN 87 -7.527 -5.844 -5.714 576 HD21 ASN 87 1HD2 ASN 87 -7.210 -4.970 -7.801 577 HD22 ASN 87 2HD2 ASN 87 -8.282 -5.347 -9.109 578 H TYR 88 H TYR 88 -5.190 -5.611 -5.702 579 HA TYR 88 HA TYR 88 -3.570 -4.372 -6.692 580 HB2 TYR 88 HB2 TYR 88 -2.264 -6.429 -6.793 581 HB3 TYR 88 HB3 TYR 88 -3.076 -6.906 -8.277 582 HD1 TYR 88 HD2 TYR 88 -1.421 -3.744 -7.161 583 HD2 TYR 88 HD1 TYR 88 -1.600 -6.870 -10.041 584 HE1 TYR 88 HE2 TYR 88 0.345 -2.643 -8.463 585 HE2 TYR 88 HE1 TYR 88 0.170 -5.774 -11.351 586 HH TYR 88 HH TYR 88 1.142 -3.575 -11.647 587 H SER 89 H SER 89 -4.298 -6.240 -9.579 588 HA SER 89 HA SER 89 -6.235 -4.380 -10.575 589 HB2 SER 89 HB2 SER 89 -4.912 -3.737 -12.591 590 HB3 SER 89 HB3 SER 89 -4.241 -3.082 -11.098 591 HG SER 89 HG SER 89 -3.277 -5.164 -12.729 592 H GLY 90 H GLY 90 -5.739 -7.267 -10.018 593 HA2 GLY 90 HA1 GLY 90 -6.299 -8.310 -12.717 594 HA3 GLY 90 HA2 GLY 90 -5.094 -9.089 -11.704 595 H GLY 91 H GLY 91 -5.740 -10.369 -9.974 596 HA2 GLY 91 HA1 GLY 91 -8.398 -11.477 -10.343 597 HA3 GLY 91 HA2 GLY 91 -7.122 -12.132 -9.327 598 HA PRO 92 HA PRO 92 -10.212 -8.924 -7.173 599 HB2 PRO 92 HB2 PRO 92 -12.287 -11.048 -7.282 600 HB3 PRO 92 HB3 PRO 92 -12.456 -9.295 -7.435 601 HG2 PRO 92 HG2 PRO 92 -12.650 -10.878 -9.572 602 HG3 PRO 92 HG3 PRO 92 -11.850 -9.298 -9.672 603 HD2 PRO 92 HD2 PRO 92 -10.646 -12.031 -9.535 604 HD3 PRO 92 HD3 PRO 92 -10.125 -10.613 -10.469 605 H PHE 93 H PHE 93 -9.544 -8.994 -5.170 606 HA PHE 93 HA PHE 93 -9.272 -9.576 -3.018 607 HB2 PHE 93 HB2 PHE 93 -11.066 -11.898 -3.714 608 HB3 PHE 93 HB3 PHE 93 -10.497 -11.517 -2.088 609 HD1 PHE 93 HD2 PHE 93 -11.250 -9.466 -0.969 610 HD2 PHE 93 HD1 PHE 93 -12.840 -10.674 -4.725 611 HE1 PHE 93 HE2 PHE 93 -13.149 -7.939 -0.651 612 HE2 PHE 93 HE1 PHE 93 -14.746 -9.150 -4.415 613 HZ PHE 93 HZ PHE 93 -14.900 -7.778 -2.373 614 H SER 94 H SER 94 -7.706 -10.892 -5.396 615 HA SER 94 HA SER 94 -6.447 -13.093 -4.099 616 HB2 SER 94 HB2 SER 94 -5.444 -11.239 -6.276 617 HB3 SER 94 HB3 SER 94 -4.565 -12.663 -5.705 618 HG SER 94 HG SER 94 -6.555 -12.516 -7.498 619 H VAL 95 H VAL 95 -5.967 -12.540 -2.007 620 HA VAL 95 HA VAL 95 -4.521 -10.231 -1.277 621 HB VAL 95 HB VAL 95 -4.545 -12.887 0.172 622 HG11 VAL 95 2HG1 VAL 95 -2.777 -11.422 0.951 623 HG12 VAL 95 1HG1 VAL 95 -4.053 -11.520 2.164 624 HG13 VAL 95 3HG1 VAL 95 -3.925 -10.095 1.133 625 HG21 VAL 95 3HG2 VAL 95 -6.817 -12.072 -0.211 626 HG22 VAL 95 2HG2 VAL 95 -6.384 -10.511 0.489 627 HG23 VAL 95 1HG2 VAL 95 -6.384 -11.962 1.494 628 H SER 96 H SER 96 -2.802 -9.980 -2.685 629 HA SER 96 HA SER 96 -1.090 -12.174 -3.361 630 HB2 SER 96 HB2 SER 96 -1.687 -10.351 -4.962 631 HB3 SER 96 HB3 SER 96 -0.729 -9.235 -3.990 632 HG SER 96 HG SER 96 0.986 -9.963 -4.936 633 H SER 97 H SER 97 0.352 -12.902 -2.037 634 HA SER 97 HA SER 97 1.632 -11.153 -0.085 635 HB2 SER 97 HB2 SER 97 2.645 -13.459 0.607 636 HB3 SER 97 HB3 SER 97 0.943 -13.136 0.940 637 HG SER 97 HG SER 97 2.073 -14.707 -1.132 638 H ARG 98 H ARG 98 3.579 -10.282 -0.425 639 HA ARG 98 HA ARG 98 5.444 -11.653 -2.244 640 HB2 ARG 98 HB2 ARG 98 5.182 -8.653 -2.222 641 HB3 ARG 98 HB3 ARG 98 6.046 -9.659 -3.374 642 HG2 ARG 98 HG2 ARG 98 3.848 -10.543 -4.137 643 HG3 ARG 98 HG3 ARG 98 3.069 -9.355 -3.089 644 HD2 ARG 98 HD2 ARG 98 4.526 -7.631 -4.318 645 HD3 ARG 98 HD3 ARG 98 4.766 -8.899 -5.519 646 HE ARG 98 HE ARG 98 2.197 -7.629 -4.831 647 HH11 ARG 98 2HH1 ARG 98 4.150 -9.585 -6.996 648 HH12 ARG 98 1HH1 ARG 98 2.992 -9.534 -8.291 649 HH21 ARG 98 2HH2 ARG 98 0.681 -7.540 -6.517 650 HH22 ARG 98 1HH2 ARG 98 1.008 -8.364 -8.022 651 H THR 99 H THR 99 7.659 -11.199 -1.844 652 HA THR 99 HA THR 99 8.200 -9.947 0.767 653 HB THR 99 HB THR 99 9.914 -11.969 -0.696 654 HG1 THR 99 HG1 THR 99 9.014 -12.948 1.591 655 HG21 THR 99 3HG2 THR 99 10.095 -10.829 2.094 656 HG22 THR 99 1HG2 THR 99 11.195 -10.493 0.757 657 HG23 THR 99 2HG2 THR 99 11.116 -12.114 1.447 658 H ILE 100 H ILE 100 9.114 -7.996 0.603 659 HA ILE 100 HA ILE 100 10.480 -7.278 -1.893 660 HB ILE 100 HB ILE 100 9.676 -5.512 0.429 661 HG12 ILE 100 2HG1 ILE 100 7.710 -6.363 -0.715 662 HG13 ILE 100 3HG1 ILE 100 7.933 -4.653 -1.092 663 HG21 ILE 100 2HG2 ILE 100 11.587 -4.622 -0.779 664 HG22 ILE 100 1HG2 ILE 100 10.150 -3.647 -1.086 665 HG23 ILE 100 3HG2 ILE 100 10.719 -4.785 -2.306 666 HD11 ILE 100 3HD1 ILE 100 7.270 -5.900 -3.060 667 HD12 ILE 100 2HD1 ILE 100 8.653 -6.979 -2.871 668 HD13 ILE 100 1HD1 ILE 100 8.908 -5.275 -3.252 669 H SER 101 H SER 101 12.601 -7.772 -1.876 670 HA SER 101 HA SER 101 14.172 -8.003 0.468 671 HB2 SER 101 HB2 SER 101 14.803 -9.135 -1.611 672 HB3 SER 101 HB3 SER 101 14.996 -7.583 -2.425 673 HG SER 101 HG SER 101 16.500 -8.398 -0.150 674 H ALA 102 H ALA 102 15.804 -6.572 1.267 675 HA ALA 102 HA ALA 102 15.241 -3.882 1.458 676 HB1 ALA 102 HB1 ALA 102 16.827 -5.048 2.910 677 HB2 ALA 102 HB2 ALA 102 17.974 -5.151 1.574 678 HB3 ALA 102 HB3 ALA 102 17.530 -3.578 2.235 679 H SER 103 H SER 103 16.939 -5.590 -1.045 680 HA SER 103 HA SER 103 18.210 -3.546 -2.413 681 HB2 SER 103 HB2 SER 103 16.784 -5.746 -3.877 682 HB3 SER 103 HB3 SER 103 18.382 -5.063 -4.178 683 HG SER 103 HG SER 103 17.603 -7.081 -2.449 684 H GLU 104 H GLU 104 14.890 -4.790 -2.890 685 HA GLU 104 HA GLU 104 14.248 -2.626 -4.699 686 HB2 GLU 104 HB2 GLU 104 12.415 -4.700 -3.481 687 HB3 GLU 104 HB3 GLU 104 12.009 -3.606 -4.792 688 HG2 GLU 104 HG2 GLU 104 12.436 -5.568 -5.897 689 HG3 GLU 104 HG3 GLU 104 13.983 -4.730 -6.019 690 H ALA 105 H ALA 105 13.919 -3.361 -1.342 691 HA ALA 105 HA ALA 105 11.766 -1.723 -0.647 692 HB1 ALA 105 HB1 ALA 105 12.615 -1.813 1.617 693 HB2 ALA 105 HB2 ALA 105 12.790 -3.390 0.849 694 HB3 ALA 105 HB3 ALA 105 14.194 -2.339 1.033 695 H GLY 106 H GLY 106 15.166 -0.955 -1.147 696 HA2 GLY 106 HA1 GLY 106 14.963 1.745 -0.220 697 HA3 GLY 106 HA2 GLY 106 16.265 1.074 -1.192 698 H ASN 107 H ASN 107 13.868 0.216 -3.039 699 HA ASN 107 HA ASN 107 14.102 2.593 -4.717 700 HB2 ASN 107 HB2 ASN 107 14.625 0.531 -5.826 701 HB3 ASN 107 HB3 ASN 107 13.140 -0.221 -5.255 702 HD21 ASN 107 1HD2 ASN 107 11.215 0.197 -6.307 703 HD22 ASN 107 2HD2 ASN 107 11.144 1.011 -7.828 704 H TYR 108 H TYR 108 11.634 0.588 -3.184 705 HA TYR 108 HA TYR 108 9.458 1.997 -4.429 706 HB2 TYR 108 HB2 TYR 108 9.457 0.010 -2.153 707 HB3 TYR 108 HB3 TYR 108 8.023 0.613 -2.973 708 HD1 TYR 108 HD1 TYR 108 8.347 0.379 -5.711 709 HD2 TYR 108 HD2 TYR 108 10.036 -2.124 -2.724 710 HE1 TYR 108 HE1 TYR 108 8.494 -1.452 -7.341 711 HE2 TYR 108 HE2 TYR 108 10.191 -3.962 -4.343 712 HH TYR 108 HH TYR 108 9.283 -4.698 -6.413 713 H ASN 109 H ASN 109 8.200 3.574 -3.610 714 HA ASN 109 HA ASN 109 9.141 4.984 -1.267 715 HB2 ASN 109 HB2 ASN 109 8.460 6.699 -2.580 716 HB3 ASN 109 HB3 ASN 109 7.509 5.629 -3.605 717 HD21 ASN 109 1HD2 ASN 109 7.501 7.594 -0.720 718 HD22 ASN 109 2HD2 ASN 109 5.782 7.756 -0.608 719 H TYR 110 H TYR 110 7.896 5.427 0.577 720 HA TYR 110 HA TYR 110 5.277 4.162 0.760 721 HB2 TYR 110 HB2 TYR 110 5.687 2.869 2.600 722 HB3 TYR 110 HB3 TYR 110 7.284 2.789 1.869 723 HD1 TYR 110 HD1 TYR 110 9.095 4.295 2.763 724 HD2 TYR 110 HD2 TYR 110 5.362 3.794 4.721 725 HE1 TYR 110 HE1 TYR 110 10.075 5.174 4.833 726 HE2 TYR 110 HE2 TYR 110 6.326 4.684 6.801 727 HH TYR 110 HH TYR 110 8.582 4.883 7.842 728 H ILE 111 H ILE 111 3.964 5.149 2.464 729 HA ILE 111 HA ILE 111 4.904 7.890 2.953 730 HB ILE 111 HB ILE 111 2.622 8.703 2.554 731 HG12 ILE 111 2HG1 ILE 111 2.042 5.865 1.667 732 HG13 ILE 111 3HG1 ILE 111 1.385 6.646 3.102 733 HG21 ILE 111 2HG2 ILE 111 3.793 7.116 0.269 734 HG22 ILE 111 1HG2 ILE 111 4.224 8.762 0.737 735 HG23 ILE 111 3HG2 ILE 111 2.614 8.418 0.107 736 HD11 ILE 111 3HD1 ILE 111 0.861 7.410 0.240 737 HD12 ILE 111 2HD1 ILE 111 0.263 8.291 1.649 738 HD13 ILE 111 1HD1 ILE 111 -0.264 6.633 1.358 739 H HIS 112 H HIS 112 4.775 8.582 4.989 740 HA HIS 112 HA HIS 112 2.843 7.258 6.775 741 HB2 HIS 112 HB2 HIS 112 4.476 7.165 8.589 742 HB3 HIS 112 HB3 HIS 112 5.058 6.251 7.204 743 HD1 HIS 112 HD1 HIS 112 5.946 8.974 9.486 744 HD2 HIS 112 HD2 HIS 112 7.196 7.589 5.748 745 HE1 HIS 112 HE1 HIS 112 8.181 10.049 9.073 746 HE2 HIS 112 HE2 HIS 112 8.814 9.353 6.736 747 H ILE 113 H ILE 113 1.777 8.632 8.135 748 HA ILE 113 HA ILE 113 1.866 11.385 7.543 749 HB ILE 113 HB ILE 113 0.294 11.490 9.564 750 HG12 ILE 113 2HG1 ILE 113 0.446 8.496 9.208 751 HG13 ILE 113 3HG1 ILE 113 1.013 9.386 10.617 752 HG21 ILE 113 2HG2 ILE 113 -1.563 10.586 8.244 753 HG22 ILE 113 1HG2 ILE 113 -0.398 9.800 7.177 754 HG23 ILE 113 3HG2 ILE 113 -0.462 11.560 7.266 755 HD11 ILE 113 3HD1 ILE 113 -1.134 8.347 11.043 756 HD12 ILE 113 2HD1 ILE 113 -1.835 9.199 9.668 757 HD13 ILE 113 1HD1 ILE 113 -1.277 10.106 11.075
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