NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26409 | 2kjl | 16339 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 -3.447 12.063 -8.845 2 HA MET 1 HA MET 1 -0.509 11.898 -9.119 3 HB2 MET 1 HB2 MET 1 -1.082 13.812 -7.766 4 HB3 MET 1 HB3 MET 1 -2.244 12.873 -6.844 5 HG2 MET 1 HG2 MET 1 -0.171 13.297 -5.609 6 HG3 MET 1 HG3 MET 1 -0.479 11.577 -5.842 7 HE1 MET 1 HE1 MET 1 2.321 12.685 -4.905 8 HE2 MET 1 HE2 MET 1 2.020 10.974 -5.207 9 HE3 MET 1 HE3 MET 1 3.425 11.761 -5.924 10 H SER 2 H SER 2 -2.754 11.019 -6.523 11 HA SER 2 HA SER 2 -2.568 8.199 -7.072 12 HB2 SER 2 HB2 SER 2 -1.347 9.225 -4.498 13 HB3 SER 2 HB3 SER 2 -1.390 7.558 -5.071 14 HG SER 2 HG SER 2 0.078 8.066 -6.652 15 H TYR 3 H TYR 3 -3.524 7.022 -4.965 16 HA TYR 3 HA TYR 3 -6.116 8.077 -4.590 17 HB2 TYR 3 HB2 TYR 3 -6.532 6.204 -3.218 18 HB3 TYR 3 HB3 TYR 3 -5.325 5.640 -4.367 19 HD1 TYR 3 HD2 TYR 3 -2.831 5.775 -3.546 20 HD2 TYR 3 HD1 TYR 3 -6.204 5.848 -0.955 21 HE1 TYR 3 HE2 TYR 3 -1.404 5.066 -1.678 22 HE2 TYR 3 HE1 TYR 3 -4.790 5.145 0.923 23 HH TYR 3 HH TYR 3 -2.606 3.899 1.210 24 H ALA 4 H ALA 4 -3.147 8.299 -2.787 25 HA ALA 4 HA ALA 4 -3.983 9.226 -0.326 26 HB1 ALA 4 HB1 ALA 4 -1.490 10.015 -1.818 27 HB2 ALA 4 HB2 ALA 4 -1.760 10.187 -0.083 28 HB3 ALA 4 HB3 ALA 4 -1.689 8.582 -0.810 29 H ASP 5 H ASP 5 -3.849 10.954 -3.346 30 HA ASP 5 HA ASP 5 -3.804 13.586 -2.456 31 HB2 ASP 5 HB2 ASP 5 -3.640 13.140 -4.806 32 HB3 ASP 5 HB3 ASP 5 -5.213 12.347 -4.825 33 H SER 6 H SER 6 -6.410 11.258 -2.484 34 HA SER 6 HA SER 6 -8.080 13.173 -1.011 35 HB2 SER 6 HB2 SER 6 -9.079 11.350 -3.214 36 HB3 SER 6 HB3 SER 6 -10.061 12.443 -2.244 37 HG SER 6 HG SER 6 -7.889 13.530 -3.637 38 H SER 7 H SER 7 -6.437 11.058 0.036 39 HA SER 7 HA SER 7 -8.537 9.207 0.955 40 HB2 SER 7 HB2 SER 7 -6.898 7.469 1.192 41 HB3 SER 7 HB3 SER 7 -6.721 8.146 -0.428 42 HG SER 7 HG SER 7 -4.730 7.823 0.803 43 H ARG 8 H ARG 8 -8.487 8.538 3.108 44 HA ARG 8 HA ARG 8 -6.666 9.800 4.982 45 HB2 ARG 8 HB2 ARG 8 -8.304 10.931 6.266 46 HB3 ARG 8 HB3 ARG 8 -8.628 11.400 4.603 47 HG2 ARG 8 HG2 ARG 8 -10.181 9.146 4.966 48 HG3 ARG 8 HG3 ARG 8 -10.305 10.007 6.501 49 HD2 ARG 8 HD2 ARG 8 -12.054 10.742 5.000 50 HD3 ARG 8 HD3 ARG 8 -10.910 12.053 5.282 51 HE ARG 8 HE ARG 8 -10.941 10.397 2.839 52 HH11 ARG 8 HH12 ARG 8 -10.429 13.442 4.489 53 HH12 ARG 8 HH11 ARG 8 -10.078 14.323 3.028 54 HH21 ARG 8 HH22 ARG 8 -10.481 11.564 0.910 55 HH22 ARG 8 HH21 ARG 8 -10.120 13.266 1.001 56 H ASN 9 H ASN 9 -7.216 8.977 7.245 57 HA ASN 9 HA ASN 9 -7.382 7.205 8.660 58 HB2 ASN 9 HB2 ASN 9 -9.817 7.649 8.081 59 HB3 ASN 9 HB3 ASN 9 -9.699 6.330 6.935 60 HD21 ASN 9 HD21 ASN 9 -11.400 5.343 8.140 61 HD22 ASN 9 HD22 ASN 9 -11.034 4.473 9.594 62 H ALA 10 H ALA 10 -5.708 6.992 6.319 63 HA ALA 10 HA ALA 10 -5.939 4.311 5.323 64 HB1 ALA 10 HB1 ALA 10 -3.970 4.784 4.044 65 HB2 ALA 10 HB2 ALA 10 -5.007 6.207 3.992 66 HB3 ALA 10 HB3 ALA 10 -3.591 6.185 5.044 67 H VAL 11 H VAL 11 -5.426 2.618 6.502 68 HA VAL 11 HA VAL 11 -2.992 2.626 8.135 69 HB VAL 11 HB VAL 11 -5.652 1.643 9.217 70 HG11 VAL 11 HG11 VAL 11 -2.958 1.912 10.540 71 HG12 VAL 11 HG12 VAL 11 -4.449 1.414 11.337 72 HG13 VAL 11 HG13 VAL 11 -3.748 0.407 10.070 73 HG21 VAL 11 HG21 VAL 11 -5.554 3.513 10.797 74 HG22 VAL 11 HG22 VAL 11 -4.129 4.135 9.961 75 HG23 VAL 11 HG23 VAL 11 -5.682 4.065 9.126 76 H LEU 12 H LEU 12 -2.069 0.553 8.335 77 HA LEU 12 HA LEU 12 -2.989 -1.362 6.373 78 HB2 LEU 12 HB2 LEU 12 -0.490 -0.751 7.560 79 HB3 LEU 12 HB3 LEU 12 -0.887 -2.384 8.044 80 HG LEU 12 HG LEU 12 -1.017 -3.125 5.780 81 HD11 LEU 12 HD11 LEU 12 -2.114 -1.171 4.806 82 HD12 LEU 12 HD12 LEU 12 -0.622 -0.244 4.971 83 HD13 LEU 12 HD13 LEU 12 -0.684 -1.627 3.879 84 HD21 LEU 12 HD21 LEU 12 1.251 -2.607 4.985 85 HD22 LEU 12 HD22 LEU 12 1.364 -1.327 6.192 86 HD23 LEU 12 HD23 LEU 12 1.210 -3.007 6.702 87 H THR 13 H THR 13 -3.806 -3.354 6.786 88 HA THR 13 HA THR 13 -4.416 -4.034 9.576 89 HB THR 13 HB THR 13 -6.364 -4.423 7.299 90 HG1 THR 13 HG1 THR 13 -5.714 -2.126 8.667 91 HG21 THR 13 HG21 THR 13 -8.009 -4.593 9.116 92 HG22 THR 13 HG22 THR 13 -6.726 -4.343 10.302 93 HG23 THR 13 HG23 THR 13 -6.730 -5.795 9.303 94 H ASN 14 H ASN 14 -5.068 -6.358 9.787 95 HA ASN 14 HA ASN 14 -4.841 -8.591 9.441 96 HB2 ASN 14 HB2 ASN 14 -5.284 -7.616 6.898 97 HB3 ASN 14 HB3 ASN 14 -3.790 -8.524 6.713 98 HD21 ASN 14 HD21 ASN 14 -3.799 -10.746 7.028 99 HD22 ASN 14 HD22 ASN 14 -5.261 -11.665 7.048 100 H GLY 15 H GLY 15 -2.481 -6.469 9.653 101 HA2 GLY 15 HA3 GLY 15 -0.350 -6.950 10.569 102 HA3 GLY 15 HA2 GLY 15 -0.411 -8.540 9.823 103 H GLY 16 H GLY 16 -1.268 -5.673 8.088 104 HA2 GLY 16 HA3 GLY 16 0.023 -4.394 6.597 105 HA3 GLY 16 HA2 GLY 16 1.350 -5.530 6.812 106 H ARG 17 H ARG 17 -1.734 -6.878 6.260 107 HA ARG 17 HA ARG 17 -0.876 -7.641 3.566 108 HB2 ARG 17 HB2 ARG 17 -3.156 -8.944 5.013 109 HB3 ARG 17 HB3 ARG 17 -2.091 -9.618 3.788 110 HG2 ARG 17 HG2 ARG 17 -0.247 -9.463 5.519 111 HG3 ARG 17 HG3 ARG 17 -1.514 -9.138 6.693 112 HD2 ARG 17 HD2 ARG 17 -0.974 -11.491 6.716 113 HD3 ARG 17 HD3 ARG 17 -2.600 -11.263 6.073 114 HE ARG 17 HE ARG 17 -0.474 -11.455 4.100 115 HH11 ARG 17 HH12 ARG 17 -2.904 -13.163 5.956 116 HH12 ARG 17 HH11 ARG 17 -3.040 -14.471 4.815 117 HH21 ARG 17 HH22 ARG 17 -0.627 -13.193 2.614 118 HH22 ARG 17 HH21 ARG 17 -1.742 -14.491 2.917 119 H THR 18 H THR 18 -3.130 -5.728 5.262 120 HA THR 18 HA THR 18 -4.672 -5.374 2.779 121 HB THR 18 HB THR 18 -5.849 -5.186 5.557 122 HG1 THR 18 HG1 THR 18 -5.418 -7.366 3.919 123 HG21 THR 18 HG21 THR 18 -7.127 -5.233 2.819 124 HG22 THR 18 HG22 THR 18 -6.976 -3.821 3.870 125 HG23 THR 18 HG23 THR 18 -7.988 -5.181 4.358 126 H LEU 19 H LEU 19 -4.748 -3.374 2.073 127 HA LEU 19 HA LEU 19 -3.864 -1.173 3.785 128 HB2 LEU 19 HB2 LEU 19 -2.675 -1.439 1.696 129 HB3 LEU 19 HB3 LEU 19 -4.176 -1.475 0.796 130 HG LEU 19 HG LEU 19 -4.563 0.884 1.338 131 HD11 LEU 19 HD11 LEU 19 -3.426 0.987 3.484 132 HD12 LEU 19 HD12 LEU 19 -1.873 0.724 2.687 133 HD13 LEU 19 HD13 LEU 19 -2.782 2.203 2.380 134 HD21 LEU 19 HD21 LEU 19 -2.732 1.790 -0.034 135 HD22 LEU 19 HD22 LEU 19 -1.868 0.259 0.143 136 HD23 LEU 19 HD23 LEU 19 -3.414 0.306 -0.707 137 H ARG 20 H ARG 20 -5.561 -0.350 4.876 138 HA ARG 20 HA ARG 20 -8.130 -0.028 3.479 139 HB2 ARG 20 HB2 ARG 20 -7.862 -1.285 5.718 140 HB3 ARG 20 HB3 ARG 20 -7.639 0.302 6.433 141 HG2 ARG 20 HG2 ARG 20 -10.077 -0.476 4.859 142 HG3 ARG 20 HG3 ARG 20 -9.942 -0.661 6.603 143 HD2 ARG 20 HD2 ARG 20 -9.844 1.903 5.024 144 HD3 ARG 20 HD3 ARG 20 -11.110 1.378 6.134 145 HE ARG 20 HE ARG 20 -8.545 2.534 6.815 146 HH11 ARG 20 HH12 ARG 20 -11.366 0.789 7.962 147 HH12 ARG 20 HH11 ARG 20 -11.095 1.220 9.626 148 HH21 ARG 20 HH22 ARG 20 -8.208 3.086 9.007 149 HH22 ARG 20 HH21 ARG 20 -9.311 2.500 10.216 150 H ALA 21 H ALA 21 -8.722 1.956 2.827 151 HA ALA 21 HA ALA 21 -7.973 4.310 4.371 152 HB1 ALA 21 HB1 ALA 21 -7.096 3.973 1.497 153 HB2 ALA 21 HB2 ALA 21 -7.003 5.471 2.423 154 HB3 ALA 21 HB3 ALA 21 -6.045 4.073 2.910 155 H GLU 22 H GLU 22 -9.188 6.161 3.814 156 HA GLU 22 HA GLU 22 -11.670 5.523 2.374 157 HB2 GLU 22 HB2 GLU 22 -11.213 7.901 4.165 158 HB3 GLU 22 HB3 GLU 22 -12.744 7.193 3.672 159 HG2 GLU 22 HG2 GLU 22 -12.166 5.167 4.979 160 HG3 GLU 22 HG3 GLU 22 -10.721 6.004 5.549 161 H CYS 23 H CYS 23 -11.634 6.166 0.334 162 HA CYS 23 HA CYS 23 -10.349 8.735 -0.320 163 HB2 CYS 23 HB2 CYS 23 -10.060 7.651 -2.626 164 HB3 CYS 23 HB3 CYS 23 -9.006 7.099 -1.327 165 HG CYS 23 HG CYS 23 -10.947 5.340 -3.249 166 H ARG 24 H ARG 24 -11.442 10.152 -1.577 167 HA ARG 24 HA ARG 24 -14.272 9.821 -1.792 168 HB2 ARG 24 HB2 ARG 24 -14.176 12.050 -1.667 169 HB3 ARG 24 HB3 ARG 24 -12.426 11.992 -1.807 170 HG2 ARG 24 HG2 ARG 24 -14.176 11.909 -4.238 171 HG3 ARG 24 HG3 ARG 24 -13.745 13.435 -3.462 172 HD2 ARG 24 HD2 ARG 24 -11.562 13.296 -4.088 173 HD3 ARG 24 HD3 ARG 24 -11.545 11.534 -4.031 174 HE ARG 24 HE ARG 24 -13.130 12.006 -6.145 175 HH11 ARG 24 HH12 ARG 24 -9.980 13.252 -5.221 176 HH12 ARG 24 HH11 ARG 24 -9.437 13.486 -6.855 177 HH21 ARG 24 HH22 ARG 24 -12.420 12.332 -8.317 178 HH22 ARG 24 HH21 ARG 24 -10.836 12.965 -8.618 179 H ASN 25 H ASN 25 -15.528 9.598 -3.638 180 HA ASN 25 HA ASN 25 -14.138 8.372 -5.885 181 HB2 ASN 25 HB2 ASN 25 -16.276 7.582 -6.599 182 HB3 ASN 25 HB3 ASN 25 -16.165 7.352 -4.866 183 HD21 ASN 25 HD21 ASN 25 -18.552 7.397 -6.389 184 HD22 ASN 25 HD22 ASN 25 -19.499 8.740 -5.824 185 H ALA 26 H ALA 26 -15.668 8.881 -8.041 186 HA ALA 26 HA ALA 26 -14.749 11.378 -8.926 187 HB1 ALA 26 HB1 ALA 26 -16.045 10.965 -10.930 188 HB2 ALA 26 HB2 ALA 26 -15.235 9.486 -10.408 189 HB3 ALA 26 HB3 ALA 26 -16.958 9.703 -10.103 190 H ASP 27 H ASP 27 -17.618 10.565 -7.179 191 HA ASP 27 HA ASP 27 -19.046 12.967 -7.964 192 HB2 ASP 27 HB2 ASP 27 -20.245 10.837 -7.514 193 HB3 ASP 27 HB3 ASP 27 -19.738 10.931 -5.834 194 H GLY 28 H GLY 28 -16.807 12.026 -5.565 195 HA2 GLY 28 HA3 GLY 28 -15.713 13.717 -4.249 196 HA3 GLY 28 HA2 GLY 28 -17.236 14.594 -4.189 197 H ASN 29 H ASN 29 -17.992 11.443 -3.828 198 HA ASN 29 HA ASN 29 -18.484 11.725 -1.000 199 HB2 ASN 29 HB2 ASN 29 -19.159 9.703 -3.104 200 HB3 ASN 29 HB3 ASN 29 -19.312 9.270 -1.407 201 HD21 ASN 29 HD21 ASN 29 -21.360 9.548 -3.465 202 HD22 ASN 29 HD22 ASN 29 -22.472 10.735 -2.875 203 H TRP 30 H TRP 30 -17.445 10.737 0.652 204 HA TRP 30 HA TRP 30 -14.872 9.564 0.098 205 HB2 TRP 30 HB2 TRP 30 -16.362 10.049 2.685 206 HB3 TRP 30 HB3 TRP 30 -14.751 9.342 2.608 207 HD1 TRP 30 HD1 TRP 30 -14.627 11.765 -0.021 208 HE1 TRP 30 HE1 TRP 30 -13.671 14.023 0.768 209 HE3 TRP 30 HE3 TRP 30 -15.024 11.091 5.032 210 HZ2 TRP 30 HZ2 TRP 30 -13.145 15.335 3.211 211 HZ3 TRP 30 HZ3 TRP 30 -14.269 12.896 6.523 212 HH2 TRP 30 HH2 TRP 30 -13.350 14.973 5.630 213 H VAL 31 H VAL 31 -14.537 7.528 -0.321 214 HA VAL 31 HA VAL 31 -16.505 5.525 0.584 215 HB VAL 31 HB VAL 31 -14.606 5.133 -1.714 216 HG11 VAL 31 HG11 VAL 31 -15.692 3.154 -0.865 217 HG12 VAL 31 HG12 VAL 31 -17.273 3.919 -1.028 218 HG13 VAL 31 HG13 VAL 31 -16.320 3.548 -2.466 219 HG21 VAL 31 HG21 VAL 31 -15.776 7.161 -2.265 220 HG22 VAL 31 HG22 VAL 31 -16.409 5.837 -3.248 221 HG23 VAL 31 HG23 VAL 31 -17.327 6.420 -1.858 222 H THR 32 H THR 32 -15.763 3.874 1.843 223 HA THR 32 HA THR 32 -12.963 3.903 2.595 224 HB THR 32 HB THR 32 -15.105 1.970 3.508 225 HG1 THR 32 HG1 THR 32 -15.193 4.502 3.885 226 HG21 THR 32 HG21 THR 32 -12.490 2.818 4.771 227 HG22 THR 32 HG22 THR 32 -12.784 1.283 3.955 228 HG23 THR 32 HG23 THR 32 -13.644 1.666 5.446 229 H SER 33 H SER 33 -11.592 2.982 1.221 230 HA SER 33 HA SER 33 -12.441 0.525 -0.151 231 HB2 SER 33 HB2 SER 33 -10.292 2.485 -0.976 232 HB3 SER 33 HB3 SER 33 -10.837 1.079 -1.893 233 HG SER 33 HG SER 33 -11.974 3.567 -1.637 234 H GLU 34 H GLU 34 -11.068 -1.228 -0.223 235 HA GLU 34 HA GLU 34 -8.674 -1.110 1.466 236 HB2 GLU 34 HB2 GLU 34 -10.514 -3.488 1.489 237 HB3 GLU 34 HB3 GLU 34 -9.267 -3.055 2.651 238 HG2 GLU 34 HG2 GLU 34 -10.659 -1.092 3.290 239 HG3 GLU 34 HG3 GLU 34 -11.931 -1.723 2.256 240 H LEU 35 H LEU 35 -6.951 -2.033 0.572 241 HA LEU 35 HA LEU 35 -7.390 -3.870 -1.684 242 HB2 LEU 35 HB2 LEU 35 -6.584 -1.902 -2.707 243 HB3 LEU 35 HB3 LEU 35 -5.418 -1.615 -1.428 244 HG LEU 35 HG LEU 35 -4.037 -3.452 -2.204 245 HD11 LEU 35 HD11 LEU 35 -6.112 -3.905 -4.347 246 HD12 LEU 35 HD12 LEU 35 -4.561 -4.736 -4.204 247 HD13 LEU 35 HD13 LEU 35 -5.801 -4.966 -2.972 248 HD21 LEU 35 HD21 LEU 35 -3.396 -2.578 -4.404 249 HD22 LEU 35 HD22 LEU 35 -4.889 -1.637 -4.452 250 HD23 LEU 35 HD23 LEU 35 -3.668 -1.293 -3.226 251 H ASP 36 H ASP 36 -6.689 -5.780 -1.308 252 HA ASP 36 HA ASP 36 -5.081 -6.440 0.922 253 HB2 ASP 36 HB2 ASP 36 -5.902 -8.026 -1.523 254 HB3 ASP 36 HB3 ASP 36 -5.099 -8.707 -0.124 255 H LEU 37 H LEU 37 -3.029 -5.757 0.952 256 HA LEU 37 HA LEU 37 -1.447 -5.220 -1.312 257 HB2 LEU 37 HB2 LEU 37 -0.612 -5.876 1.508 258 HB3 LEU 37 HB3 LEU 37 0.433 -5.192 0.271 259 HG LEU 37 HG LEU 37 -1.869 -3.923 1.669 260 HD11 LEU 37 HD11 LEU 37 0.323 -3.887 2.678 261 HD12 LEU 37 HD12 LEU 37 0.974 -3.138 1.221 262 HD13 LEU 37 HD13 LEU 37 -0.207 -2.270 2.203 263 HD21 LEU 37 HD21 LEU 37 -1.715 -2.045 0.145 264 HD22 LEU 37 HD22 LEU 37 -0.481 -2.888 -0.797 265 HD23 LEU 37 HD23 LEU 37 -2.130 -3.516 -0.736 266 H ASP 38 H ASP 38 -1.780 -7.944 0.812 267 HA ASP 38 HA ASP 38 0.307 -9.513 -0.249 268 HB2 ASP 38 HB2 ASP 38 -0.558 -11.324 0.999 269 HB3 ASP 38 HB3 ASP 38 -0.915 -9.889 1.954 270 H THR 39 H THR 39 -2.438 -8.445 -1.770 271 HA THR 39 HA THR 39 -2.656 -10.914 -3.362 272 HB THR 39 HB THR 39 -4.721 -9.621 -2.319 273 HG1 THR 39 HG1 THR 39 -5.064 -11.494 -3.433 274 HG21 THR 39 HG21 THR 39 -4.466 -8.372 -5.053 275 HG22 THR 39 HG22 THR 39 -4.272 -7.517 -3.525 276 HG23 THR 39 HG23 THR 39 -5.836 -8.210 -3.954 277 H ILE 40 H ILE 40 -1.336 -7.782 -3.475 278 HA ILE 40 HA ILE 40 -0.707 -8.183 -6.306 279 HB ILE 40 HB ILE 40 -1.066 -5.693 -6.697 280 HG12 ILE 40 HG13 ILE 40 -3.120 -4.950 -5.198 281 HG13 ILE 40 3HG1 ILE 40 -2.372 -6.041 -4.039 282 HG21 ILE 40 HG21 ILE 40 -3.413 -5.997 -7.264 283 HG22 ILE 40 HG22 ILE 40 -2.461 -7.420 -7.687 284 HG23 ILE 40 HG23 ILE 40 -3.475 -7.434 -6.244 285 HD11 ILE 40 HD11 ILE 40 -1.090 -3.638 -5.309 286 HD12 ILE 40 HD12 ILE 40 -1.667 -3.773 -3.647 287 HD13 ILE 40 HD13 ILE 40 -0.301 -4.748 -4.188 288 H ILE 41 H ILE 41 0.618 -8.011 -3.485 289 HA ILE 41 HA ILE 41 2.877 -6.366 -4.425 290 HB ILE 41 HB ILE 41 1.879 -6.586 -1.584 291 HG12 ILE 41 HG13 ILE 41 1.700 -4.498 -3.701 292 HG13 ILE 41 3HG1 ILE 41 0.530 -4.963 -2.472 293 HG21 ILE 41 HG21 ILE 41 4.303 -5.136 -2.629 294 HG22 ILE 41 HG22 ILE 41 3.672 -5.054 -0.979 295 HG23 ILE 41 HG23 ILE 41 4.304 -6.576 -1.610 296 HD11 ILE 41 HD11 ILE 41 3.025 -3.362 -2.004 297 HD12 ILE 41 HD12 ILE 41 1.380 -2.727 -2.086 298 HD13 ILE 41 HD13 ILE 41 1.841 -3.818 -0.777 299 H GLY 42 H GLY 42 4.799 -7.358 -4.424 300 HA2 GLY 42 HA3 GLY 42 4.994 -9.925 -2.979 301 HA3 GLY 42 HA2 GLY 42 5.534 -9.772 -4.643 302 H ASN 43 H ASN 43 7.146 -10.621 -2.475 303 HA ASN 43 HA ASN 43 9.016 -8.358 -2.240 304 HB2 ASN 43 HB2 ASN 43 8.410 -8.987 -0.045 305 HB3 ASN 43 HB3 ASN 43 8.497 -10.701 -0.419 306 HD21 ASN 43 HD21 ASN 43 9.850 -11.074 1.307 307 HD22 ASN 43 HD22 ASN 43 11.528 -10.630 1.285 308 H ASN 44 H ASN 44 10.613 -8.492 -3.639 309 HA ASN 44 HA ASN 44 11.530 -11.142 -4.490 310 HB2 ASN 44 HB2 ASN 44 10.865 -9.563 -6.269 311 HB3 ASN 44 HB3 ASN 44 12.099 -8.436 -5.716 312 HD21 ASN 44 HD21 ASN 44 11.523 -11.540 -7.198 313 HD22 ASN 44 HD22 ASN 44 13.089 -11.709 -7.917 314 H ASP 45 H ASP 45 12.651 -11.511 -2.521 315 HA ASP 45 HA ASP 45 14.452 -11.573 -1.135 316 HB2 ASP 45 HB2 ASP 45 15.722 -10.944 -3.791 317 HB3 ASP 45 HB3 ASP 45 16.685 -11.242 -2.347 318 H GLY 46 H GLY 46 13.136 -9.243 -0.700 319 HA2 GLY 46 HA3 GLY 46 13.708 -7.397 0.642 320 HA3 GLY 46 HA2 GLY 46 15.360 -7.508 0.054 321 H HIS 47 H HIS 47 12.428 -7.414 -1.878 322 HA HIS 47 HA HIS 47 12.752 -4.635 -2.555 323 HB2 HIS 47 HB2 HIS 47 14.457 -5.601 -4.007 324 HB3 HIS 47 HB3 HIS 47 13.303 -6.777 -4.625 325 HD1 HIS 47 HD1 HIS 47 13.960 -3.042 -4.674 326 HD2 HIS 47 HD2 HIS 47 11.873 -5.944 -6.797 327 HE1 HIS 47 HE1 HIS 47 13.080 -1.884 -6.729 328 HE2 HIS 47 HE2 HIS 47 12.005 -3.712 -8.094 329 H PHE 48 H PHE 48 10.722 -3.968 -2.469 330 HA PHE 48 HA PHE 48 8.468 -5.616 -2.730 331 HB2 PHE 48 HB2 PHE 48 8.805 -2.632 -2.882 332 HB3 PHE 48 HB3 PHE 48 7.232 -3.399 -3.070 333 HD1 PHE 48 HD2 PHE 48 6.435 -4.921 -1.177 334 HD2 PHE 48 HD1 PHE 48 9.641 -2.155 -0.773 335 HE1 PHE 48 HE2 PHE 48 6.168 -4.974 1.270 336 HE2 PHE 48 HE1 PHE 48 9.385 -2.209 1.671 337 HZ PHE 48 HZ PHE 48 7.646 -3.615 2.696 338 H GLN 49 H GLN 49 7.176 -6.159 -4.352 339 HA GLN 49 HA GLN 49 7.803 -5.161 -7.041 340 HB2 GLN 49 HB2 GLN 49 8.705 -7.284 -7.180 341 HB3 GLN 49 HB3 GLN 49 7.594 -7.948 -5.992 342 HG2 GLN 49 HG2 GLN 49 5.796 -7.898 -7.652 343 HG3 GLN 49 HG3 GLN 49 6.916 -7.254 -8.848 344 HE21 GLN 49 HE21 GLN 49 9.132 -8.913 -7.899 345 HE22 GLN 49 HE22 GLN 49 8.795 -10.522 -8.442 346 H TRP 50 H TRP 50 6.076 -4.058 -7.731 347 HA TRP 50 HA TRP 50 3.470 -4.472 -6.659 348 HB2 TRP 50 HB2 TRP 50 4.499 -2.858 -8.997 349 HB3 TRP 50 HB3 TRP 50 2.781 -2.952 -8.613 350 HD1 TRP 50 HD1 TRP 50 5.821 -0.994 -7.795 351 HE1 TRP 50 HE1 TRP 50 5.349 0.603 -5.817 352 HE3 TRP 50 HE3 TRP 50 1.388 -2.975 -6.223 353 HZ2 TRP 50 HZ2 TRP 50 3.348 0.950 -3.860 354 HZ3 TRP 50 HZ3 TRP 50 0.258 -1.961 -4.291 355 HH2 TRP 50 HH2 TRP 50 1.216 -0.036 -3.134 356 H GLY 51 H GLY 51 2.274 -6.151 -7.088 357 HA2 GLY 51 HA3 GLY 51 0.905 -7.408 -8.591 358 HA3 GLY 51 HA2 GLY 51 2.112 -7.163 -9.848 359 H GLY 52 H GLY 52 3.003 -8.088 -6.603 360 HA2 GLY 52 HA3 GLY 52 4.035 -10.604 -7.692 361 HA3 GLY 52 HA2 GLY 52 4.552 -9.840 -6.197 362 H GLN 53 H GLN 53 2.316 -9.477 -4.789 363 HA GLN 53 HA GLN 53 0.724 -10.420 -3.494 364 HB2 GLN 53 HB2 GLN 53 -0.627 -11.140 -5.221 365 HB3 GLN 53 HB3 GLN 53 0.584 -12.245 -5.857 366 HG2 GLN 53 HG2 GLN 53 0.184 -13.762 -3.996 367 HG3 GLN 53 HG3 GLN 53 -0.998 -12.641 -3.325 368 HE21 GLN 53 HE21 GLN 53 -2.041 -11.936 -5.967 369 HE22 GLN 53 HE22 GLN 53 -3.004 -13.290 -6.463 370 H ASN 54 H ASN 54 0.696 -11.691 -1.731 371 HA ASN 54 HA ASN 54 1.392 -13.095 -0.103 372 HB2 ASN 54 HB2 ASN 54 2.679 -14.564 -2.406 373 HB3 ASN 54 HB3 ASN 54 2.719 -15.146 -0.744 374 HD21 ASN 54 HD21 ASN 54 1.488 -16.318 -3.139 375 HD22 ASN 54 HD22 ASN 54 -0.191 -16.521 -2.755 376 H PHE 55 H PHE 55 2.790 -10.731 -0.579 377 HA PHE 55 HA PHE 55 5.622 -11.257 -0.327 378 HB2 PHE 55 HB2 PHE 55 5.941 -8.944 -0.441 379 HB3 PHE 55 HB3 PHE 55 4.470 -9.149 -1.380 380 HD1 PHE 55 HD2 PHE 55 2.249 -8.716 -0.223 381 HD2 PHE 55 HD1 PHE 55 5.998 -7.508 1.385 382 HE1 PHE 55 HE2 PHE 55 1.108 -7.059 1.186 383 HE2 PHE 55 HE1 PHE 55 4.860 -5.849 2.800 384 HZ PHE 55 HZ PHE 55 2.411 -5.623 2.701 385 H THR 56 H THR 56 2.881 -10.763 1.689 386 HA THR 56 HA THR 56 4.164 -9.971 4.057 387 HB THR 56 HB THR 56 2.017 -10.903 5.113 388 HG1 THR 56 HG1 THR 56 1.536 -12.372 3.365 389 HG21 THR 56 HG21 THR 56 1.973 -8.824 2.928 390 HG22 THR 56 HG22 THR 56 2.249 -8.559 4.651 391 HG23 THR 56 HG23 THR 56 0.661 -9.065 4.077 392 H GLU 57 H GLU 57 3.987 -13.017 2.465 393 HA GLU 57 HA GLU 57 4.381 -14.590 4.830 394 HB2 GLU 57 HB2 GLU 57 4.488 -16.462 3.414 395 HB3 GLU 57 HB3 GLU 57 3.334 -15.376 2.648 396 HG2 GLU 57 HG2 GLU 57 4.962 -14.708 1.032 397 HG3 GLU 57 HG3 GLU 57 6.208 -15.646 1.854 398 H THR 58 H THR 58 6.333 -12.632 2.897 399 HA THR 58 HA THR 58 8.750 -13.822 4.081 400 HB THR 58 HB THR 58 10.010 -13.101 2.085 401 HG1 THR 58 HG1 THR 58 8.062 -12.763 0.320 402 HG21 THR 58 HG21 THR 58 7.629 -14.805 1.344 403 HG22 THR 58 HG22 THR 58 9.063 -15.390 2.190 404 HG23 THR 58 HG23 THR 58 9.200 -14.787 0.538 405 H ALA 59 H ALA 59 6.740 -11.497 4.557 406 HA ALA 59 HA ALA 59 8.788 -9.422 4.947 407 HB1 ALA 59 HB1 ALA 59 7.085 -7.729 4.652 408 HB2 ALA 59 HB2 ALA 59 7.150 -8.774 3.232 409 HB3 ALA 59 HB3 ALA 59 5.854 -8.970 4.413 410 H GLU 60 H GLU 60 8.773 -8.306 6.851 411 HA GLU 60 HA GLU 60 6.894 -9.135 8.947 412 HB2 GLU 60 HB2 GLU 60 9.467 -8.888 10.137 413 HB3 GLU 60 HB3 GLU 60 8.448 -10.317 10.047 414 HG2 GLU 60 HG2 GLU 60 9.434 -10.897 7.892 415 HG3 GLU 60 HG3 GLU 60 10.445 -9.455 7.961 416 H ASP 61 H ASP 61 7.239 -7.680 10.931 417 HA ASP 61 HA ASP 61 7.002 -5.553 11.769 418 HB2 ASP 61 HB2 ASP 61 9.621 -5.997 11.330 419 HB3 ASP 61 HB3 ASP 61 9.382 -4.652 10.234 420 H ILE 62 H ILE 62 5.258 -5.709 9.804 421 HA ILE 62 HA ILE 62 5.789 -3.752 7.747 422 HB ILE 62 HB ILE 62 3.107 -5.049 8.201 423 HG12 ILE 62 HG13 ILE 62 5.649 -6.209 7.043 424 HG13 ILE 62 3HG1 ILE 62 4.574 -6.918 8.237 425 HG21 ILE 62 HG21 ILE 62 2.961 -4.800 5.769 426 HG22 ILE 62 HG22 ILE 62 3.267 -3.251 6.552 427 HG23 ILE 62 HG23 ILE 62 4.579 -4.100 5.736 428 HD11 ILE 62 HD11 ILE 62 4.414 -8.047 6.095 429 HD12 ILE 62 HD12 ILE 62 2.887 -7.272 6.524 430 HD13 ILE 62 HD13 ILE 62 3.945 -6.533 5.322 431 H ARG 63 H ARG 63 5.610 -1.699 8.081 432 HA ARG 63 HA ARG 63 3.362 -0.674 9.680 433 HB2 ARG 63 HB2 ARG 63 5.080 1.273 10.156 434 HB3 ARG 63 HB3 ARG 63 5.055 -0.175 11.156 435 HG2 ARG 63 HG2 ARG 63 6.783 -0.653 8.955 436 HG3 ARG 63 HG3 ARG 63 7.203 0.907 9.665 437 HD2 ARG 63 HD2 ARG 63 8.340 -1.171 10.612 438 HD3 ARG 63 HD3 ARG 63 7.632 -0.037 11.766 439 HE ARG 63 HE ARG 63 6.286 -2.523 10.909 440 HH11 ARG 63 HH12 ARG 63 7.239 -0.244 13.379 441 HH12 ARG 63 HH11 ARG 63 6.471 -1.121 14.672 442 HH21 ARG 63 HH22 ARG 63 5.252 -3.673 12.607 443 HH22 ARG 63 HH21 ARG 63 5.346 -3.067 14.225 444 H PHE 64 H PHE 64 2.095 0.580 8.563 445 HA PHE 64 HA PHE 64 2.959 1.559 5.959 446 HB2 PHE 64 HB2 PHE 64 0.888 0.373 5.984 447 HB3 PHE 64 HB3 PHE 64 0.273 1.349 7.310 448 HD1 PHE 64 HD2 PHE 64 1.892 2.274 4.073 449 HD2 PHE 64 HD1 PHE 64 -1.537 2.509 6.577 450 HE1 PHE 64 HE2 PHE 64 0.836 3.817 2.479 451 HE2 PHE 64 HE1 PHE 64 -2.591 4.053 4.984 452 HZ PHE 64 HZ PHE 64 -1.411 4.700 2.929 453 H HIS 65 H HIS 65 3.251 3.591 5.405 454 HA HIS 65 HA HIS 65 2.601 5.726 7.343 455 HB2 HIS 65 HB2 HIS 65 5.117 4.992 6.824 456 HB3 HIS 65 HB3 HIS 65 4.875 6.022 5.421 457 HD1 HIS 65 HD1 HIS 65 6.738 7.603 6.446 458 HD2 HIS 65 HD2 HIS 65 3.234 7.279 8.677 459 HE1 HIS 65 HE1 HIS 65 6.834 9.455 8.146 460 HE2 HIS 65 HE2 HIS 65 4.812 9.107 9.612 461 HA PRO 66 HA PRO 66 0.170 6.416 3.444 462 HB2 PRO 66 HB2 PRO 66 -1.704 7.946 4.724 463 HB3 PRO 66 HB3 PRO 66 -1.784 6.193 4.575 464 HG2 PRO 66 HG2 PRO 66 -0.829 7.849 6.870 465 HG3 PRO 66 HG3 PRO 66 -1.850 6.401 6.878 466 HD2 PRO 66 HD2 PRO 66 0.762 6.275 7.483 467 HD3 PRO 66 HD3 PRO 66 -0.032 4.969 6.575 468 H LYS 67 H LYS 67 0.721 8.772 5.932 469 HA LYS 67 HA LYS 67 1.330 10.733 3.826 470 HB2 LYS 67 HB2 LYS 67 -0.037 11.244 6.480 471 HB3 LYS 67 HB3 LYS 67 0.473 12.500 5.358 472 HG2 LYS 67 HG2 LYS 67 -1.603 12.334 4.538 473 HG3 LYS 67 HG3 LYS 67 -0.999 10.882 3.742 474 HD2 LYS 67 HD2 LYS 67 -1.746 9.563 5.711 475 HD3 LYS 67 HD3 LYS 67 -2.489 11.031 6.353 476 HE2 LYS 67 HE2 LYS 67 -3.154 9.698 3.729 477 HE3 LYS 67 HE3 LYS 67 -4.133 9.646 5.192 478 HZ1 LYS 67 HZ1 LYS 67 -4.401 12.060 5.031 479 HZ2 LYS 67 HZ2 LYS 67 -4.993 11.273 3.652 480 HZ3 LYS 67 HZ3 LYS 67 -3.503 12.074 3.591 481 H GLU 68 H GLU 68 3.478 10.040 3.945 482 HA GLU 68 HA GLU 68 5.008 10.061 6.299 483 HB2 GLU 68 HB2 GLU 68 5.773 8.826 4.405 484 HB3 GLU 68 HB3 GLU 68 5.818 10.274 3.408 485 HG2 GLU 68 HG2 GLU 68 7.801 10.943 4.226 486 HG3 GLU 68 HG3 GLU 68 7.446 10.356 5.855 487 H GLY 69 H GLY 69 5.346 11.706 7.535 488 HA2 GLY 69 HA3 GLY 69 5.797 13.806 8.304 489 HA3 GLY 69 HA2 GLY 69 6.968 13.836 6.999 490 H ALA 70 H ALA 70 6.794 15.918 6.450 491 HA ALA 70 HA ALA 70 4.251 17.190 5.991 492 HB1 ALA 70 HB1 ALA 70 7.045 18.134 5.362 493 HB2 ALA 70 HB2 ALA 70 5.584 19.119 5.304 494 HB3 ALA 70 HB3 ALA 70 6.147 18.467 6.842 495 H ALA 71 H ALA 71 6.085 15.048 4.248 496 HA ALA 71 HA ALA 71 5.609 16.173 1.627 497 HB1 ALA 71 HB1 ALA 71 6.723 13.495 2.464 498 HB2 ALA 71 HB2 ALA 71 6.654 14.097 0.807 499 HB3 ALA 71 HB3 ALA 71 7.653 14.921 2.005 500 H GLU 72 H GLU 72 4.017 14.165 3.868 501 HA GLU 72 HA GLU 72 2.187 12.822 3.833 502 HB2 GLU 72 HB2 GLU 72 1.444 14.873 1.750 503 HB3 GLU 72 HB3 GLU 72 0.318 13.658 2.340 504 HG2 GLU 72 HG2 GLU 72 0.662 14.541 4.633 505 HG3 GLU 72 HG3 GLU 72 1.646 15.830 3.938 506 H GLN 73 H GLN 73 4.263 11.723 2.448 507 HA GLN 73 HA GLN 73 3.109 10.706 -0.035 508 HB2 GLN 73 HB2 GLN 73 5.424 11.612 -0.051 509 HB3 GLN 73 HB3 GLN 73 5.897 10.340 1.066 510 HG2 GLN 73 HG2 GLN 73 5.442 8.652 -0.564 511 HG3 GLN 73 HG3 GLN 73 4.740 9.839 -1.663 512 HE21 GLN 73 HE21 GLN 73 6.080 11.294 -2.721 513 HE22 GLN 73 HE22 GLN 73 7.779 11.004 -2.904 514 HA PRO 74 HA PRO 74 2.028 7.039 2.246 515 HB2 PRO 74 HB2 PRO 74 0.803 5.745 0.228 516 HB3 PRO 74 HB3 PRO 74 0.045 7.098 1.073 517 HG2 PRO 74 HG2 PRO 74 1.478 7.084 -1.560 518 HG3 PRO 74 HG3 PRO 74 -0.035 7.895 -1.119 519 HD2 PRO 74 HD2 PRO 74 2.358 9.186 -1.217 520 HD3 PRO 74 HD3 PRO 74 1.057 9.654 -0.108 521 H ILE 75 H ILE 75 3.814 5.946 2.689 522 HA ILE 75 HA ILE 75 4.858 4.201 0.584 523 HB ILE 75 HB ILE 75 7.094 4.632 0.984 524 HG12 ILE 75 HG13 ILE 75 7.524 6.304 3.114 525 HG13 ILE 75 3HG1 ILE 75 6.220 5.280 3.710 526 HG21 ILE 75 HG21 ILE 75 7.446 7.039 0.925 527 HG22 ILE 75 HG22 ILE 75 6.068 6.571 -0.070 528 HG23 ILE 75 HG23 ILE 75 5.803 7.304 1.515 529 HD11 ILE 75 HD11 ILE 75 8.469 4.439 4.268 530 HD12 ILE 75 HD12 ILE 75 7.524 3.301 3.302 531 HD13 ILE 75 HD13 ILE 75 8.799 4.258 2.547 532 H LEU 76 H LEU 76 5.354 2.159 1.245 533 HA LEU 76 HA LEU 76 4.668 1.541 4.039 534 HB2 LEU 76 HB2 LEU 76 3.044 0.697 2.422 535 HB3 LEU 76 HB3 LEU 76 4.318 -0.114 1.540 536 HG LEU 76 HG LEU 76 2.732 -1.447 3.137 537 HD11 LEU 76 HD11 LEU 76 5.717 -1.869 3.111 538 HD12 LEU 76 HD12 LEU 76 4.510 -3.086 3.528 539 HD13 LEU 76 HD13 LEU 76 4.574 -2.431 1.892 540 HD21 LEU 76 HD21 LEU 76 4.846 -0.518 5.066 541 HD22 LEU 76 HD22 LEU 76 3.142 -0.053 5.102 542 HD23 LEU 76 HD23 LEU 76 3.605 -1.731 5.373 543 H ARG 77 H ARG 77 6.255 0.744 5.256 544 HA ARG 77 HA ARG 77 8.512 -0.527 3.865 545 HB2 ARG 77 HB2 ARG 77 10.087 0.409 5.339 546 HB3 ARG 77 HB3 ARG 77 9.029 1.741 4.906 547 HG2 ARG 77 HG2 ARG 77 8.646 0.158 7.425 548 HG3 ARG 77 HG3 ARG 77 9.744 1.534 7.334 549 HD2 ARG 77 HD2 ARG 77 6.798 1.586 6.718 550 HD3 ARG 77 HD3 ARG 77 7.550 2.176 8.201 551 HE ARG 77 HE ARG 77 7.732 3.395 5.548 552 HH11 ARG 77 HH12 ARG 77 8.425 3.513 8.977 553 HH12 ARG 77 HH11 ARG 77 8.944 5.174 8.940 554 HH21 ARG 77 HH22 ARG 77 8.448 5.574 5.503 555 HH22 ARG 77 HH21 ARG 77 8.979 6.324 6.972 556 H ALA 78 H ALA 78 9.358 -2.327 4.711 557 HA ALA 78 HA ALA 78 8.582 -3.414 7.253 558 HB1 ALA 78 HB1 ALA 78 7.479 -5.405 6.405 559 HB2 ALA 78 HB2 ALA 78 6.601 -3.964 5.891 560 HB3 ALA 78 HB3 ALA 78 7.641 -4.818 4.749 561 H ARG 79 H ARG 79 9.589 -5.657 7.504 562 HA ARG 79 HA ARG 79 12.254 -5.578 6.350 563 HB2 ARG 79 HB2 ARG 79 11.346 -7.807 8.124 564 HB3 ARG 79 HB3 ARG 79 12.928 -7.055 8.012 565 HG2 ARG 79 HG2 ARG 79 10.481 -5.984 9.398 566 HG3 ARG 79 HG3 ARG 79 11.995 -6.512 10.129 567 HD2 ARG 79 HD2 ARG 79 13.171 -4.660 9.046 568 HD3 ARG 79 HD3 ARG 79 11.656 -4.158 8.296 569 HE ARG 79 HE ARG 79 10.841 -3.802 10.639 570 HH11 ARG 79 HH12 ARG 79 14.277 -3.616 9.936 571 HH12 ARG 79 HH11 ARG 79 14.577 -2.434 11.175 572 HH21 ARG 79 HH22 ARG 79 11.227 -2.274 12.224 573 HH22 ARG 79 HH21 ARG 79 12.836 -1.650 12.470 574 H LEU 80 H LEU 80 12.608 -6.502 4.470 575 HA LEU 80 HA LEU 80 10.812 -8.626 3.585 576 HB2 LEU 80 HB2 LEU 80 12.481 -6.580 2.247 577 HB3 LEU 80 HB3 LEU 80 12.294 -8.113 1.415 578 HG LEU 80 HG LEU 80 9.980 -7.826 1.169 579 HD11 LEU 80 HD11 LEU 80 10.134 -5.589 3.151 580 HD12 LEU 80 HD12 LEU 80 8.698 -6.030 2.224 581 HD13 LEU 80 HD13 LEU 80 9.382 -7.170 3.385 582 HD21 LEU 80 HD21 LEU 80 9.733 -5.640 0.103 583 HD22 LEU 80 HD22 LEU 80 11.264 -5.140 0.824 584 HD23 LEU 80 HD23 LEU 80 11.230 -6.452 -0.356 585 H ARG 81 H ARG 81 11.370 -10.613 3.666 586 HA ARG 81 HA ARG 81 14.084 -11.403 4.272 587 HB2 ARG 81 HB2 ARG 81 12.353 -12.472 5.531 588 HB3 ARG 81 HB3 ARG 81 11.470 -12.903 4.077 589 HG2 ARG 81 HG2 ARG 81 14.189 -13.998 4.257 590 HG3 ARG 81 HG3 ARG 81 13.053 -14.596 5.459 591 HD2 ARG 81 HD2 ARG 81 11.459 -15.027 3.541 592 HD3 ARG 81 HD3 ARG 81 12.825 -14.691 2.473 593 HE ARG 81 HE ARG 81 13.904 -16.635 3.249 594 HH11 ARG 81 HH12 ARG 81 10.698 -16.247 4.614 595 HH12 ARG 81 HH11 ARG 81 10.492 -17.945 4.943 596 HH21 ARG 81 HH22 ARG 81 13.647 -18.870 3.719 597 HH22 ARG 81 HH21 ARG 81 12.185 -19.428 4.474 598 H ASP 82 H ASP 82 15.422 -12.615 2.981 599 HA ASP 82 HA ASP 82 14.703 -12.624 0.141 600 HB2 ASP 82 HB2 ASP 82 16.955 -12.521 -0.372 601 HB3 ASP 82 HB3 ASP 82 16.906 -11.631 1.146 602 H CYS 83 H CYS 83 15.820 -14.573 -1.101 603 HA CYS 83 HA CYS 83 14.421 -16.869 -0.283 604 HB2 CYS 83 HB2 CYS 83 16.700 -16.603 -2.247 605 HB3 CYS 83 HB3 CYS 83 15.691 -18.035 -2.072 606 HG CYS 83 HG CYS 83 14.817 -14.976 -3.305 607 H ASN 84 H ASN 84 17.579 -15.739 0.583 608 HA ASN 84 HA ASN 84 18.619 -18.284 1.391 609 HB2 ASN 84 HB2 ASN 84 20.177 -16.532 0.840 610 HB3 ASN 84 HB3 ASN 84 19.464 -15.451 2.025 611 HD21 ASN 84 HD21 ASN 84 20.118 -15.536 4.096 612 HD22 ASN 84 HD22 ASN 84 21.354 -16.594 4.684 613 H GLY 85 H GLY 85 16.702 -15.779 2.890 614 HA2 GLY 85 HA3 GLY 85 15.202 -16.482 4.675 615 HA3 GLY 85 HA2 GLY 85 16.486 -17.517 5.273 616 H GLU 86 H GLU 86 16.891 -14.179 4.221 617 HA GLU 86 HA GLU 86 17.557 -13.507 7.017 618 HB2 GLU 86 HB2 GLU 86 19.158 -11.909 6.242 619 HB3 GLU 86 HB3 GLU 86 19.470 -13.412 5.392 620 HG2 GLU 86 HG2 GLU 86 18.412 -12.560 3.406 621 HG3 GLU 86 HG3 GLU 86 17.955 -11.080 4.248 622 H PHE 87 H PHE 87 17.565 -10.725 6.760 623 HA PHE 87 HA PHE 87 14.981 -10.008 5.635 624 HB2 PHE 87 HB2 PHE 87 14.148 -9.060 7.780 625 HB3 PHE 87 HB3 PHE 87 14.296 -10.813 7.819 626 HD1 PHE 87 HD2 PHE 87 16.127 -11.868 9.094 627 HD2 PHE 87 HD1 PHE 87 15.429 -7.672 9.224 628 HE1 PHE 87 HE2 PHE 87 17.503 -11.705 11.128 629 HE2 PHE 87 HE1 PHE 87 16.802 -7.503 11.255 630 HZ PHE 87 HZ PHE 87 17.841 -9.517 12.210 631 H HIS 88 H HIS 88 14.859 -8.033 4.960 632 HA HIS 88 HA HIS 88 16.741 -6.033 5.950 633 HB2 HIS 88 HB2 HIS 88 16.873 -7.323 3.367 634 HB3 HIS 88 HB3 HIS 88 16.622 -5.595 3.199 635 HD1 HIS 88 HD1 HIS 88 18.423 -4.098 4.709 636 HD2 HIS 88 HD2 HIS 88 19.460 -8.017 3.751 637 HE1 HIS 88 HE1 HIS 88 20.911 -4.243 5.031 638 HE2 HIS 88 HE2 HIS 88 21.536 -6.581 4.325 639 H ASP 89 H ASP 89 15.618 -4.312 6.498 640 HA ASP 89 HA ASP 89 12.885 -3.998 5.874 641 HB2 ASP 89 HB2 ASP 89 13.084 -1.795 6.984 642 HB3 ASP 89 HB3 ASP 89 13.786 -3.096 7.936 643 H ARG 90 H ARG 90 12.046 -3.469 3.999 644 HA ARG 90 HA ARG 90 13.473 -1.466 2.365 645 HB2 ARG 90 HB2 ARG 90 11.604 -3.670 1.454 646 HB3 ARG 90 HB3 ARG 90 12.331 -2.456 0.409 647 HG2 ARG 90 HG2 ARG 90 13.774 -4.574 1.979 648 HG3 ARG 90 HG3 ARG 90 13.563 -4.505 0.228 649 HD2 ARG 90 HD2 ARG 90 14.862 -2.443 0.148 650 HD3 ARG 90 HD3 ARG 90 15.061 -2.491 1.899 651 HE ARG 90 HE ARG 90 16.013 -4.801 0.415 652 HH11 ARG 90 HH12 ARG 90 16.758 -1.795 2.028 653 HH12 ARG 90 HH11 ARG 90 18.461 -2.118 2.159 654 HH21 ARG 90 HH22 ARG 90 18.231 -5.266 0.566 655 HH22 ARG 90 HH21 ARG 90 19.311 -4.107 1.294 656 H ASP 91 H ASP 91 11.787 -0.393 0.796 657 HA ASP 91 HA ASP 91 9.272 0.138 2.144 658 HB2 ASP 91 HB2 ASP 91 9.601 2.592 2.006 659 HB3 ASP 91 HB3 ASP 91 10.721 1.827 3.122 660 H VAL 92 H VAL 92 7.695 0.869 0.763 661 HA VAL 92 HA VAL 92 8.486 1.049 -2.059 662 HB VAL 92 HB VAL 92 7.585 -1.187 -1.576 663 HG11 VAL 92 HG11 VAL 92 5.186 -1.471 -1.112 664 HG12 VAL 92 HG12 VAL 92 6.041 -0.678 0.212 665 HG13 VAL 92 HG13 VAL 92 5.043 0.273 -0.889 666 HG21 VAL 92 HG21 VAL 92 5.921 0.530 -3.381 667 HG22 VAL 92 HG22 VAL 92 7.414 -0.318 -3.785 668 HG23 VAL 92 HG23 VAL 92 5.954 -1.234 -3.410 669 H ASN 93 H ASN 93 7.299 2.350 -3.344 670 HA ASN 93 HA ASN 93 5.944 4.522 -2.008 671 HB2 ASN 93 HB2 ASN 93 6.938 3.986 -4.775 672 HB3 ASN 93 HB3 ASN 93 5.736 5.245 -4.543 673 HD21 ASN 93 HD21 ASN 93 8.166 4.444 -2.162 674 HD22 ASN 93 HD22 ASN 93 9.079 5.910 -2.315 675 H LEU 94 H LEU 94 3.882 4.194 -1.424 676 HA LEU 94 HA LEU 94 2.176 2.431 -2.926 677 HB2 LEU 94 HB2 LEU 94 1.568 4.209 -0.568 678 HB3 LEU 94 HB3 LEU 94 0.439 3.066 -1.272 679 HG LEU 94 HG LEU 94 2.836 2.571 0.428 680 HD11 LEU 94 HD11 LEU 94 1.333 0.976 1.480 681 HD12 LEU 94 HD12 LEU 94 0.608 2.582 1.397 682 HD13 LEU 94 HD13 LEU 94 0.102 1.326 0.266 683 HD21 LEU 94 HD21 LEU 94 1.710 0.523 -1.476 684 HD22 LEU 94 HD22 LEU 94 3.286 1.299 -1.633 685 HD23 LEU 94 HD23 LEU 94 2.953 0.250 -0.254 686 H ASN 95 H ASN 95 3.186 5.404 -3.595 687 HA ASN 95 HA ASN 95 0.875 6.859 -4.248 688 HB2 ASN 95 HB2 ASN 95 3.476 6.970 -5.791 689 HB3 ASN 95 HB3 ASN 95 2.261 8.234 -5.653 690 HD21 ASN 95 HD21 ASN 95 5.015 6.792 -4.293 691 HD22 ASN 95 HD22 ASN 95 5.177 7.826 -2.931 692 H ARG 96 H ARG 96 2.284 4.087 -5.636 693 HA ARG 96 HA ARG 96 1.429 4.329 -8.304 694 HB2 ARG 96 HB2 ARG 96 2.127 2.007 -6.545 695 HB3 ARG 96 HB3 ARG 96 1.440 1.723 -8.136 696 HG2 ARG 96 HG2 ARG 96 3.880 1.586 -8.139 697 HG3 ARG 96 HG3 ARG 96 3.286 2.874 -9.182 698 HD2 ARG 96 HD2 ARG 96 4.017 3.525 -6.371 699 HD3 ARG 96 HD3 ARG 96 5.306 3.258 -7.542 700 HE ARG 96 HE ARG 96 3.195 5.207 -8.126 701 HH11 ARG 96 HH12 ARG 96 6.569 4.472 -7.525 702 HH12 ARG 96 HH11 ARG 96 7.115 6.072 -7.919 703 HH21 ARG 96 HH22 ARG 96 3.906 7.299 -8.667 704 HH22 ARG 96 HH21 ARG 96 5.607 7.683 -8.583 705 H ILE 97 H ILE 97 -0.210 3.621 -5.366 706 HA ILE 97 HA ILE 97 -2.507 2.379 -6.584 707 HB ILE 97 HB ILE 97 -2.130 3.455 -3.784 708 HG12 ILE 97 HG13 ILE 97 -2.055 0.547 -4.479 709 HG13 ILE 97 3HG1 ILE 97 -0.626 1.523 -4.811 710 HG21 ILE 97 HG21 ILE 97 -3.994 1.948 -3.217 711 HG22 ILE 97 HG22 ILE 97 -4.473 3.203 -4.361 712 HG23 ILE 97 HG23 ILE 97 -4.182 1.558 -4.926 713 HD11 ILE 97 HD11 ILE 97 -0.498 2.169 -2.491 714 HD12 ILE 97 HD12 ILE 97 -1.963 1.250 -2.135 715 HD13 ILE 97 HD13 ILE 97 -0.499 0.411 -2.650 716 H GLN 98 H GLN 98 -4.162 3.416 -7.446 717 HA GLN 98 HA GLN 98 -4.605 6.226 -6.718 718 HB2 GLN 98 HB2 GLN 98 -4.815 4.876 -9.402 719 HB3 GLN 98 HB3 GLN 98 -5.579 6.417 -9.062 720 HG2 GLN 98 HG2 GLN 98 -3.287 7.253 -8.393 721 HG3 GLN 98 HG3 GLN 98 -2.652 5.769 -9.102 722 HE21 GLN 98 HE21 GLN 98 -4.696 5.718 -11.203 723 HE22 GLN 98 HE22 GLN 98 -4.241 6.954 -12.331 724 H ASN 99 H ASN 99 -6.872 6.906 -7.227 725 HA ASN 99 HA ASN 99 -8.730 4.802 -6.361 726 HB2 ASN 99 HB2 ASN 99 -8.617 6.510 -4.702 727 HB3 ASN 99 HB3 ASN 99 -8.713 7.790 -5.910 728 HD21 ASN 99 HD21 ASN 99 -10.686 8.346 -6.766 729 HD22 ASN 99 HD22 ASN 99 -12.176 7.818 -6.070 730 H VAL 100 H VAL 100 -10.149 4.140 -7.824 731 HA VAL 100 HA VAL 100 -10.827 5.967 -10.037 732 HB VAL 100 HB VAL 100 -10.982 2.947 -10.040 733 HG11 VAL 100 HG11 VAL 100 -12.603 4.001 -11.524 734 HG12 VAL 100 HG12 VAL 100 -11.316 4.947 -12.273 735 HG13 VAL 100 HG13 VAL 100 -11.337 3.192 -12.449 736 HG21 VAL 100 HG21 VAL 100 -9.058 3.054 -11.581 737 HG22 VAL 100 HG22 VAL 100 -8.935 4.787 -11.277 738 HG23 VAL 100 HG23 VAL 100 -8.667 3.640 -9.965 739 H ASN 101 H ASN 101 -12.577 6.982 -9.135 740 HA ASN 101 HA ASN 101 -14.742 7.332 -8.597 741 HB2 ASN 101 HB2 ASN 101 -15.016 5.905 -10.700 742 HB3 ASN 101 HB3 ASN 101 -15.367 4.568 -9.609 743 HD21 ASN 101 HD21 ASN 101 -17.460 4.340 -10.351 744 HD22 ASN 101 HD22 ASN 101 -18.703 5.486 -9.972 745 H GLY 102 H GLY 102 -12.902 5.810 -6.722 746 HA2 GLY 102 HA3 GLY 102 -13.604 5.687 -4.387 747 HA3 GLY 102 HA2 GLY 102 -15.077 4.914 -4.946 748 H ARG 103 H ARG 103 -12.086 3.909 -6.382 749 HA ARG 103 HA ARG 103 -11.987 1.611 -4.566 750 HB2 ARG 103 HB2 ARG 103 -11.785 0.061 -6.364 751 HB3 ARG 103 HB3 ARG 103 -13.191 1.066 -6.689 752 HG2 ARG 103 HG2 ARG 103 -11.888 2.393 -8.267 753 HG3 ARG 103 HG3 ARG 103 -10.477 1.378 -7.951 754 HD2 ARG 103 HD2 ARG 103 -11.656 0.730 -10.008 755 HD3 ARG 103 HD3 ARG 103 -11.639 -0.561 -8.806 756 HE ARG 103 HE ARG 103 -13.994 1.165 -8.876 757 HH11 ARG 103 HH12 ARG 103 -12.508 -1.876 -9.773 758 HH12 ARG 103 HH11 ARG 103 -14.020 -2.700 -9.998 759 HH21 ARG 103 HH22 ARG 103 -15.980 0.112 -9.185 760 HH22 ARG 103 HH21 ARG 103 -16.015 -1.559 -9.668 761 H LEU 104 H LEU 104 -9.961 0.790 -4.119 762 HA LEU 104 HA LEU 104 -7.713 2.467 -4.933 763 HB2 LEU 104 HB2 LEU 104 -7.914 0.237 -2.901 764 HB3 LEU 104 HB3 LEU 104 -6.458 1.157 -3.229 765 HG LEU 104 HG LEU 104 -9.028 2.205 -2.055 766 HD11 LEU 104 HD11 LEU 104 -6.256 1.923 -0.903 767 HD12 LEU 104 HD12 LEU 104 -7.645 2.648 -0.093 768 HD13 LEU 104 HD13 LEU 104 -7.657 0.931 -0.497 769 HD21 LEU 104 HD21 LEU 104 -6.491 3.696 -2.715 770 HD22 LEU 104 HD22 LEU 104 -8.029 3.852 -3.563 771 HD23 LEU 104 HD23 LEU 104 -7.898 4.351 -1.878 772 H VAL 105 H VAL 105 -6.406 1.906 -6.529 773 HA VAL 105 HA VAL 105 -5.969 -0.935 -7.088 774 HB VAL 105 HB VAL 105 -7.719 -0.222 -8.645 775 HG11 VAL 105 HG11 VAL 105 -5.739 1.842 -9.602 776 HG12 VAL 105 HG12 VAL 105 -7.288 1.469 -10.359 777 HG13 VAL 105 HG13 VAL 105 -7.242 2.159 -8.736 778 HG21 VAL 105 HG21 VAL 105 -5.043 -0.640 -9.970 779 HG22 VAL 105 HG22 VAL 105 -6.150 -1.894 -9.412 780 HG23 VAL 105 HG23 VAL 105 -6.610 -0.845 -10.754 781 H PHE 106 H PHE 106 -3.916 -1.426 -7.628 782 HA PHE 106 HA PHE 106 -1.923 0.651 -7.369 783 HB2 PHE 106 HB2 PHE 106 -0.351 -1.075 -7.109 784 HB3 PHE 106 HB3 PHE 106 -1.810 -1.726 -6.368 785 HD1 PHE 106 HD1 PHE 106 -3.338 -3.126 -8.029 786 HD2 PHE 106 HD2 PHE 106 0.821 -2.396 -8.569 787 HE1 PHE 106 HE1 PHE 106 -3.188 -5.089 -9.504 788 HE2 PHE 106 HE2 PHE 106 0.976 -4.359 -10.046 789 HZ PHE 106 HZ PHE 106 -1.027 -5.706 -10.515 790 H GLN 107 H GLN 107 -0.394 1.238 -8.961 791 HA GLN 107 HA GLN 107 -0.938 0.250 -11.671 792 HB2 GLN 107 HB2 GLN 107 -2.093 2.421 -11.370 793 HB3 GLN 107 HB3 GLN 107 -0.558 3.160 -10.939 794 HG2 GLN 107 HG2 GLN 107 0.315 2.632 -13.162 795 HG3 GLN 107 HG3 GLN 107 -1.235 1.914 -13.593 796 HE21 GLN 107 HE21 GLN 107 -2.729 3.966 -12.124 797 HE22 GLN 107 HE22 GLN 107 -2.668 5.384 -13.107 Start of MODEL 2 1 H MET 1 H MET 1 -1.682 12.963 -10.543 2 HA MET 1 HA MET 1 -0.968 12.414 -8.284 3 HB2 MET 1 HB2 MET 1 -3.206 13.684 -9.028 4 HB3 MET 1 HB3 MET 1 -3.949 12.331 -8.184 5 HG2 MET 1 HG2 MET 1 -3.668 14.301 -6.759 6 HG3 MET 1 HG3 MET 1 -2.791 12.902 -6.154 7 HE1 MET 1 HE1 MET 1 -1.904 15.460 -9.055 8 HE2 MET 1 HE2 MET 1 -2.593 16.434 -7.757 9 HE3 MET 1 HE3 MET 1 -0.884 16.590 -8.164 10 H SER 2 H SER 2 -2.405 11.222 -6.306 11 HA SER 2 HA SER 2 -2.708 8.434 -7.143 12 HB2 SER 2 HB2 SER 2 -1.216 9.309 -4.660 13 HB3 SER 2 HB3 SER 2 -1.438 7.655 -5.232 14 HG SER 2 HG SER 2 0.021 7.954 -6.766 15 H TYR 3 H TYR 3 -3.633 7.138 -5.167 16 HA TYR 3 HA TYR 3 -6.174 8.122 -4.622 17 HB2 TYR 3 HB2 TYR 3 -6.490 6.223 -3.266 18 HB3 TYR 3 HB3 TYR 3 -5.288 5.717 -4.445 19 HD1 TYR 3 HD2 TYR 3 -2.792 5.866 -3.676 20 HD2 TYR 3 HD1 TYR 3 -6.104 5.903 -1.009 21 HE1 TYR 3 HE2 TYR 3 -1.314 5.180 -1.835 22 HE2 TYR 3 HE1 TYR 3 -4.640 5.225 0.839 23 HH TYR 3 HH TYR 3 -1.248 5.286 0.609 24 H ALA 4 H ALA 4 -3.212 8.374 -2.771 25 HA ALA 4 HA ALA 4 -4.132 9.233 -0.318 26 HB1 ALA 4 HB1 ALA 4 -1.597 10.118 -1.676 27 HB2 ALA 4 HB2 ALA 4 -1.928 10.138 0.056 28 HB3 ALA 4 HB3 ALA 4 -1.810 8.602 -0.801 29 H ASP 5 H ASP 5 -3.998 11.028 -3.290 30 HA ASP 5 HA ASP 5 -3.938 13.647 -2.314 31 HB2 ASP 5 HB2 ASP 5 -3.726 13.417 -4.639 32 HB3 ASP 5 HB3 ASP 5 -5.151 12.391 -4.760 33 H SER 6 H SER 6 -6.529 11.315 -2.495 34 HA SER 6 HA SER 6 -8.235 13.209 -1.009 35 HB2 SER 6 HB2 SER 6 -9.199 11.298 -3.149 36 HB3 SER 6 HB3 SER 6 -10.195 12.420 -2.221 37 HG SER 6 HG SER 6 -8.107 13.671 -3.444 38 H SER 7 H SER 7 -6.510 11.055 -0.040 39 HA SER 7 HA SER 7 -8.569 9.227 1.004 40 HB2 SER 7 HB2 SER 7 -5.647 8.705 0.476 41 HB3 SER 7 HB3 SER 7 -6.690 7.608 1.381 42 HG SER 7 HG SER 7 -7.124 8.481 -1.288 43 H ARG 8 H ARG 8 -8.373 8.489 3.118 44 HA ARG 8 HA ARG 8 -6.547 9.751 4.963 45 HB2 ARG 8 HB2 ARG 8 -8.035 11.080 6.118 46 HB3 ARG 8 HB3 ARG 8 -8.694 11.249 4.498 47 HG2 ARG 8 HG2 ARG 8 -9.990 9.021 5.454 48 HG3 ARG 8 HG3 ARG 8 -9.863 10.058 6.880 49 HD2 ARG 8 HD2 ARG 8 -11.841 10.787 5.969 50 HD3 ARG 8 HD3 ARG 8 -10.696 11.909 5.232 51 HE ARG 8 HE ARG 8 -10.787 10.527 3.225 52 HH11 ARG 8 HH12 ARG 8 -13.257 10.039 5.638 53 HH12 ARG 8 HH11 ARG 8 -14.404 9.355 4.530 54 HH21 ARG 8 HH22 ARG 8 -12.265 9.612 1.744 55 HH22 ARG 8 HH21 ARG 8 -13.828 9.110 2.300 56 H ASN 9 H ASN 9 -7.159 8.924 7.257 57 HA ASN 9 HA ASN 9 -7.367 7.139 8.655 58 HB2 ASN 9 HB2 ASN 9 -9.817 7.584 7.633 59 HB3 ASN 9 HB3 ASN 9 -9.560 5.947 7.048 60 HD21 ASN 9 HD21 ASN 9 -11.539 6.713 8.856 61 HD22 ASN 9 HD22 ASN 9 -11.229 5.921 10.371 62 H ALA 10 H ALA 10 -5.631 6.889 6.350 63 HA ALA 10 HA ALA 10 -5.910 4.218 5.328 64 HB1 ALA 10 HB1 ALA 10 -3.495 6.000 5.101 65 HB2 ALA 10 HB2 ALA 10 -3.972 4.674 4.042 66 HB3 ALA 10 HB3 ALA 10 -4.915 6.161 4.069 67 H VAL 11 H VAL 11 -5.458 2.502 6.485 68 HA VAL 11 HA VAL 11 -3.063 2.452 8.182 69 HB VAL 11 HB VAL 11 -5.737 1.424 9.170 70 HG11 VAL 11 HG11 VAL 11 -4.592 1.236 11.330 71 HG12 VAL 11 HG12 VAL 11 -3.830 0.243 10.086 72 HG13 VAL 11 HG13 VAL 11 -3.092 1.769 10.572 73 HG21 VAL 11 HG21 VAL 11 -5.864 3.838 9.093 74 HG22 VAL 11 HG22 VAL 11 -5.725 3.296 10.766 75 HG23 VAL 11 HG23 VAL 11 -4.321 3.974 9.940 76 H LEU 12 H LEU 12 -2.249 0.312 8.521 77 HA LEU 12 HA LEU 12 -3.086 -1.556 6.448 78 HB2 LEU 12 HB2 LEU 12 -0.594 -0.892 7.594 79 HB3 LEU 12 HB3 LEU 12 -0.931 -2.538 8.077 80 HG LEU 12 HG LEU 12 -1.104 -3.259 5.800 81 HD11 LEU 12 HD11 LEU 12 -0.728 -0.371 5.021 82 HD12 LEU 12 HD12 LEU 12 -0.836 -1.746 3.920 83 HD13 LEU 12 HD13 LEU 12 -2.233 -1.284 4.891 84 HD21 LEU 12 HD21 LEU 12 1.140 -3.111 6.708 85 HD22 LEU 12 HD22 LEU 12 1.144 -2.730 4.986 86 HD23 LEU 12 HD23 LEU 12 1.263 -1.435 6.176 87 H THR 13 H THR 13 -4.047 -3.453 6.834 88 HA THR 13 HA THR 13 -4.614 -4.166 9.631 89 HB THR 13 HB THR 13 -6.439 -4.683 7.273 90 HG1 THR 13 HG1 THR 13 -6.399 -2.476 9.096 91 HG21 THR 13 HG21 THR 13 -6.972 -4.627 10.250 92 HG22 THR 13 HG22 THR 13 -6.788 -6.083 9.272 93 HG23 THR 13 HG23 THR 13 -8.148 -4.996 8.989 94 H ASN 14 H ASN 14 -5.104 -6.486 9.916 95 HA ASN 14 HA ASN 14 -4.800 -8.726 9.605 96 HB2 ASN 14 HB2 ASN 14 -5.356 -7.921 7.119 97 HB3 ASN 14 HB3 ASN 14 -3.684 -8.397 6.868 98 HD21 ASN 14 HD21 ASN 14 -3.741 -10.546 8.811 99 HD22 ASN 14 HD22 ASN 14 -4.655 -11.828 8.086 100 H GLY 15 H GLY 15 -2.533 -6.467 9.816 101 HA2 GLY 15 HA3 GLY 15 -0.432 -6.858 10.862 102 HA3 GLY 15 HA2 GLY 15 -0.395 -8.454 10.125 103 H GLY 16 H GLY 16 -1.418 -6.013 8.040 104 HA2 GLY 16 HA3 GLY 16 -0.010 -4.571 6.698 105 HA3 GLY 16 HA2 GLY 16 1.295 -5.727 6.930 106 H ARG 17 H ARG 17 -1.852 -6.973 6.328 107 HA ARG 17 HA ARG 17 -0.961 -7.800 3.660 108 HB2 ARG 17 HB2 ARG 17 -3.327 -9.006 5.052 109 HB3 ARG 17 HB3 ARG 17 -2.267 -9.721 3.848 110 HG2 ARG 17 HG2 ARG 17 -0.460 -9.620 5.676 111 HG3 ARG 17 HG3 ARG 17 -1.804 -9.363 6.782 112 HD2 ARG 17 HD2 ARG 17 -1.255 -11.721 6.686 113 HD3 ARG 17 HD3 ARG 17 -2.851 -11.437 5.990 114 HE ARG 17 HE ARG 17 -0.565 -11.573 4.172 115 HH11 ARG 17 HH12 ARG 17 -3.420 -13.111 5.508 116 HH12 ARG 17 HH11 ARG 17 -3.536 -14.286 4.232 117 HH21 ARG 17 HH22 ARG 17 -0.712 -13.131 2.511 118 HH22 ARG 17 HH21 ARG 17 -2.002 -14.290 2.519 119 H THR 18 H THR 18 -3.252 -5.892 5.344 120 HA THR 18 HA THR 18 -4.758 -5.502 2.844 121 HB THR 18 HB THR 18 -5.923 -5.168 5.607 122 HG1 THR 18 HG1 THR 18 -5.675 -7.465 3.995 123 HG21 THR 18 HG21 THR 18 -7.063 -3.935 3.849 124 HG22 THR 18 HG22 THR 18 -8.064 -5.287 4.388 125 HG23 THR 18 HG23 THR 18 -7.176 -5.399 2.866 126 H LEU 19 H LEU 19 -4.838 -3.497 2.113 127 HA LEU 19 HA LEU 19 -3.918 -1.296 3.810 128 HB2 LEU 19 HB2 LEU 19 -2.689 -1.568 1.756 129 HB3 LEU 19 HB3 LEU 19 -4.169 -1.606 0.821 130 HG LEU 19 HG LEU 19 -4.578 0.759 1.401 131 HD11 LEU 19 HD11 LEU 19 -3.405 0.849 3.525 132 HD12 LEU 19 HD12 LEU 19 -1.866 0.582 2.703 133 HD13 LEU 19 HD13 LEU 19 -2.775 2.067 2.415 134 HD21 LEU 19 HD21 LEU 19 -1.920 0.117 0.141 135 HD22 LEU 19 HD22 LEU 19 -3.483 0.215 -0.669 136 HD23 LEU 19 HD23 LEU 19 -2.752 1.669 0.011 137 H ARG 20 H ARG 20 -5.624 -0.433 4.849 138 HA ARG 20 HA ARG 20 -8.151 -0.083 3.389 139 HB2 ARG 20 HB2 ARG 20 -7.932 -1.271 5.691 140 HB3 ARG 20 HB3 ARG 20 -7.755 0.349 6.341 141 HG2 ARG 20 HG2 ARG 20 -10.117 -0.567 4.719 142 HG3 ARG 20 HG3 ARG 20 -10.052 -0.596 6.478 143 HD2 ARG 20 HD2 ARG 20 -9.903 1.825 4.689 144 HD3 ARG 20 HD3 ARG 20 -11.233 1.373 5.754 145 HE ARG 20 HE ARG 20 -8.772 2.683 6.489 146 HH11 ARG 20 HH12 ARG 20 -11.451 0.749 7.651 147 HH12 ARG 20 HH11 ARG 20 -11.305 1.299 9.293 148 HH21 ARG 20 HH22 ARG 20 -8.590 3.432 8.632 149 HH22 ARG 20 HH21 ARG 20 -9.685 2.843 9.851 150 H ALA 21 H ALA 21 -8.669 1.893 2.668 151 HA ALA 21 HA ALA 21 -7.809 4.257 4.148 152 HB1 ALA 21 HB1 ALA 21 -6.889 5.355 2.178 153 HB2 ALA 21 HB2 ALA 21 -6.002 3.872 2.535 154 HB3 ALA 21 HB3 ALA 21 -7.176 3.903 1.219 155 H GLU 22 H GLU 22 -9.060 6.111 3.708 156 HA GLU 22 HA GLU 22 -11.584 5.504 2.319 157 HB2 GLU 22 HB2 GLU 22 -11.129 7.736 4.285 158 HB3 GLU 22 HB3 GLU 22 -12.661 7.077 3.730 159 HG2 GLU 22 HG2 GLU 22 -11.828 4.884 4.820 160 HG3 GLU 22 HG3 GLU 22 -10.706 5.947 5.672 161 H CYS 23 H CYS 23 -11.662 6.331 0.323 162 HA CYS 23 HA CYS 23 -10.492 9.000 -0.095 163 HB2 CYS 23 HB2 CYS 23 -9.097 7.244 -1.111 164 HB3 CYS 23 HB3 CYS 23 -10.481 6.703 -2.056 165 HG CYS 23 HG CYS 23 -10.554 8.718 -3.794 166 H ARG 24 H ARG 24 -11.538 10.365 -1.513 167 HA ARG 24 HA ARG 24 -14.367 9.991 -1.754 168 HB2 ARG 24 HB2 ARG 24 -14.292 12.223 -1.652 169 HB3 ARG 24 HB3 ARG 24 -12.543 12.187 -1.767 170 HG2 ARG 24 HG2 ARG 24 -14.233 12.030 -4.229 171 HG3 ARG 24 HG3 ARG 24 -13.889 13.580 -3.461 172 HD2 ARG 24 HD2 ARG 24 -11.712 13.555 -4.071 173 HD3 ARG 24 HD3 ARG 24 -11.574 11.805 -3.898 174 HE ARG 24 HE ARG 24 -13.148 12.071 -6.079 175 HH11 ARG 24 HH12 ARG 24 -10.041 13.433 -5.165 176 HH12 ARG 24 HH11 ARG 24 -9.475 13.555 -6.803 177 HH21 ARG 24 HH22 ARG 24 -12.373 12.233 -8.242 178 HH22 ARG 24 HH21 ARG 24 -10.779 12.865 -8.539 179 H ASN 25 H ASN 25 -15.558 9.767 -3.666 180 HA ASN 25 HA ASN 25 -14.120 8.405 -5.795 181 HB2 ASN 25 HB2 ASN 25 -16.242 7.619 -6.538 182 HB3 ASN 25 HB3 ASN 25 -16.227 7.517 -4.787 183 HD21 ASN 25 HD21 ASN 25 -18.501 7.545 -6.505 184 HD22 ASN 25 HD22 ASN 25 -19.452 8.932 -6.070 185 H ALA 26 H ALA 26 -15.568 8.838 -8.036 186 HA ALA 26 HA ALA 26 -14.501 11.214 -9.059 187 HB1 ALA 26 HB1 ALA 26 -15.063 9.269 -10.433 188 HB2 ALA 26 HB2 ALA 26 -16.777 9.582 -10.167 189 HB3 ALA 26 HB3 ALA 26 -15.797 10.746 -11.057 190 H ASP 27 H ASP 27 -17.559 10.588 -7.506 191 HA ASP 27 HA ASP 27 -18.844 12.991 -8.420 192 HB2 ASP 27 HB2 ASP 27 -20.065 10.917 -7.708 193 HB3 ASP 27 HB3 ASP 27 -19.581 11.258 -6.054 194 H GLY 28 H GLY 28 -16.734 12.125 -5.840 195 HA2 GLY 28 HA3 GLY 28 -15.521 13.816 -4.648 196 HA3 GLY 28 HA2 GLY 28 -16.923 14.871 -4.796 197 H ASN 29 H ASN 29 -17.768 11.699 -4.081 198 HA ASN 29 HA ASN 29 -18.439 12.454 -1.339 199 HB2 ASN 29 HB2 ASN 29 -19.967 11.259 -3.194 200 HB3 ASN 29 HB3 ASN 29 -19.233 9.826 -2.484 201 HD21 ASN 29 HD21 ASN 29 -19.723 9.262 -0.359 202 HD22 ASN 29 HD22 ASN 29 -21.057 9.971 0.490 203 H TRP 30 H TRP 30 -17.792 11.230 0.438 204 HA TRP 30 HA TRP 30 -15.233 9.993 0.207 205 HB2 TRP 30 HB2 TRP 30 -17.141 10.411 2.492 206 HB3 TRP 30 HB3 TRP 30 -15.644 9.504 2.690 207 HD1 TRP 30 HD1 TRP 30 -14.455 11.877 0.394 208 HE1 TRP 30 HE1 TRP 30 -13.472 13.980 1.522 209 HE3 TRP 30 HE3 TRP 30 -16.553 11.362 5.031 210 HZ2 TRP 30 HZ2 TRP 30 -13.585 15.242 4.041 211 HZ3 TRP 30 HZ3 TRP 30 -16.069 13.066 6.741 212 HH2 TRP 30 HH2 TRP 30 -14.616 14.967 6.252 213 H VAL 31 H VAL 31 -14.740 7.951 -0.150 214 HA VAL 31 HA VAL 31 -16.749 5.874 0.424 215 HB VAL 31 HB VAL 31 -14.844 5.698 -1.897 216 HG11 VAL 31 HG11 VAL 31 -16.445 4.058 -2.727 217 HG12 VAL 31 HG12 VAL 31 -15.848 3.624 -1.126 218 HG13 VAL 31 HG13 VAL 31 -17.456 4.324 -1.308 219 HG21 VAL 31 HG21 VAL 31 -16.130 7.694 -2.313 220 HG22 VAL 31 HG22 VAL 31 -16.690 6.401 -3.377 221 HG23 VAL 31 HG23 VAL 31 -17.633 6.839 -1.951 222 H THR 32 H THR 32 -15.986 4.314 1.733 223 HA THR 32 HA THR 32 -13.173 4.236 2.399 224 HB THR 32 HB THR 32 -15.336 2.315 3.296 225 HG1 THR 32 HG1 THR 32 -14.509 4.643 4.733 226 HG21 THR 32 HG21 THR 32 -13.046 1.596 3.776 227 HG22 THR 32 HG22 THR 32 -13.896 2.023 5.262 228 HG23 THR 32 HG23 THR 32 -12.718 3.139 4.568 229 H SER 33 H SER 33 -11.691 2.980 1.349 230 HA SER 33 HA SER 33 -12.710 0.640 -0.128 231 HB2 SER 33 HB2 SER 33 -11.919 2.767 -1.481 232 HB3 SER 33 HB3 SER 33 -10.311 2.128 -1.133 233 HG SER 33 HG SER 33 -12.348 1.085 -2.729 234 H GLU 34 H GLU 34 -11.297 -1.129 -0.301 235 HA GLU 34 HA GLU 34 -8.921 -1.090 1.416 236 HB2 GLU 34 HB2 GLU 34 -10.762 -3.464 1.419 237 HB3 GLU 34 HB3 GLU 34 -9.547 -3.001 2.604 238 HG2 GLU 34 HG2 GLU 34 -10.997 -1.064 3.204 239 HG3 GLU 34 HG3 GLU 34 -12.236 -1.745 2.157 240 H LEU 35 H LEU 35 -7.225 -2.198 0.607 241 HA LEU 35 HA LEU 35 -7.703 -3.997 -1.665 242 HB2 LEU 35 HB2 LEU 35 -6.901 -2.090 -2.771 243 HB3 LEU 35 HB3 LEU 35 -5.762 -1.715 -1.493 244 HG LEU 35 HG LEU 35 -4.345 -3.595 -2.167 245 HD11 LEU 35 HD11 LEU 35 -4.777 -4.897 -4.153 246 HD12 LEU 35 HD12 LEU 35 -6.120 -5.079 -3.026 247 HD13 LEU 35 HD13 LEU 35 -6.288 -4.026 -4.434 248 HD21 LEU 35 HD21 LEU 35 -3.588 -2.707 -4.308 249 HD22 LEU 35 HD22 LEU 35 -5.093 -1.801 -4.469 250 HD23 LEU 35 HD23 LEU 35 -3.965 -1.411 -3.172 251 H ASP 36 H ASP 36 -6.861 -5.890 -1.419 252 HA ASP 36 HA ASP 36 -5.295 -6.564 0.852 253 HB2 ASP 36 HB2 ASP 36 -6.075 -8.097 -1.632 254 HB3 ASP 36 HB3 ASP 36 -5.217 -8.802 -0.283 255 H LEU 37 H LEU 37 -3.239 -5.880 0.941 256 HA LEU 37 HA LEU 37 -1.601 -5.294 -1.286 257 HB2 LEU 37 HB2 LEU 37 -0.817 -6.017 1.536 258 HB3 LEU 37 HB3 LEU 37 0.220 -5.240 0.345 259 HG LEU 37 HG LEU 37 -2.328 -4.042 1.340 260 HD11 LEU 37 HD11 LEU 37 -1.038 -2.783 2.873 261 HD12 LEU 37 HD12 LEU 37 -0.707 -4.499 3.116 262 HD13 LEU 37 HD13 LEU 37 0.459 -3.491 2.257 263 HD21 LEU 37 HD21 LEU 37 -1.493 -3.242 -0.836 264 HD22 LEU 37 HD22 LEU 37 -1.451 -1.994 0.414 265 HD23 LEU 37 HD23 LEU 37 0.035 -2.819 -0.060 266 H ASP 38 H ASP 38 -1.956 -8.013 0.859 267 HA ASP 38 HA ASP 38 0.102 -9.611 -0.171 268 HB2 ASP 38 HB2 ASP 38 -0.808 -11.405 1.059 269 HB3 ASP 38 HB3 ASP 38 -1.216 -9.972 1.997 270 H THR 39 H THR 39 -2.587 -8.501 -1.773 271 HA THR 39 HA THR 39 -2.741 -10.967 -3.365 272 HB THR 39 HB THR 39 -4.838 -9.648 -2.349 273 HG1 THR 39 HG1 THR 39 -5.157 -11.592 -3.294 274 HG21 THR 39 HG21 THR 39 -4.613 -8.599 -5.173 275 HG22 THR 39 HG22 THR 39 -4.423 -7.628 -3.713 276 HG23 THR 39 HG23 THR 39 -5.978 -8.377 -4.077 277 H ILE 40 H ILE 40 -1.464 -7.814 -3.431 278 HA ILE 40 HA ILE 40 -0.810 -8.189 -6.265 279 HB ILE 40 HB ILE 40 -1.164 -5.704 -6.630 280 HG12 ILE 40 HG13 ILE 40 -3.174 -4.943 -5.087 281 HG13 ILE 40 3HG1 ILE 40 -2.427 -6.054 -3.948 282 HG21 ILE 40 HG21 ILE 40 -2.606 -7.411 -7.595 283 HG22 ILE 40 HG22 ILE 40 -3.583 -7.429 -6.130 284 HG23 ILE 40 HG23 ILE 40 -3.536 -5.984 -7.138 285 HD11 ILE 40 HD11 ILE 40 -1.687 -3.793 -3.558 286 HD12 ILE 40 HD12 ILE 40 -0.341 -4.795 -4.103 287 HD13 ILE 40 HD13 ILE 40 -1.114 -3.670 -5.222 288 H ILE 41 H ILE 41 0.504 -8.072 -3.434 289 HA ILE 41 HA ILE 41 2.781 -6.418 -4.325 290 HB ILE 41 HB ILE 41 1.715 -6.664 -1.512 291 HG12 ILE 41 HG13 ILE 41 1.632 -4.552 -3.608 292 HG13 ILE 41 3HG1 ILE 41 0.417 -5.011 -2.419 293 HG21 ILE 41 HG21 ILE 41 4.184 -5.232 -2.459 294 HG22 ILE 41 HG22 ILE 41 3.505 -5.181 -0.828 295 HG23 ILE 41 HG23 ILE 41 4.140 -6.697 -1.475 296 HD11 ILE 41 HD11 ILE 41 1.272 -2.799 -1.965 297 HD12 ILE 41 HD12 ILE 41 1.723 -3.913 -0.674 298 HD13 ILE 41 HD13 ILE 41 2.915 -3.434 -1.882 299 H GLY 42 H GLY 42 4.705 -7.431 -4.321 300 HA2 GLY 42 HA3 GLY 42 4.867 -9.993 -2.858 301 HA3 GLY 42 HA2 GLY 42 5.406 -9.863 -4.525 302 H ASN 43 H ASN 43 7.061 -10.727 -2.435 303 HA ASN 43 HA ASN 43 8.922 -8.464 -2.163 304 HB2 ASN 43 HB2 ASN 43 8.366 -9.185 0.022 305 HB3 ASN 43 HB3 ASN 43 8.480 -10.882 -0.417 306 HD21 ASN 43 HD21 ASN 43 9.924 -11.355 1.202 307 HD22 ASN 43 HD22 ASN 43 11.583 -10.828 1.158 308 H ASN 44 H ASN 44 10.544 -8.532 -3.522 309 HA ASN 44 HA ASN 44 11.433 -11.126 -4.564 310 HB2 ASN 44 HB2 ASN 44 10.704 -9.206 -6.109 311 HB3 ASN 44 HB3 ASN 44 12.210 -8.418 -5.647 312 HD21 ASN 44 HD21 ASN 44 14.141 -9.179 -6.458 313 HD22 ASN 44 HD22 ASN 44 14.221 -10.393 -7.688 314 H ASP 45 H ASP 45 12.593 -11.666 -2.713 315 HA ASP 45 HA ASP 45 14.307 -11.779 -1.237 316 HB2 ASP 45 HB2 ASP 45 16.485 -11.927 -2.220 317 HB3 ASP 45 HB3 ASP 45 15.320 -12.583 -3.356 318 H GLY 46 H GLY 46 13.036 -9.372 -0.811 319 HA2 GLY 46 HA3 GLY 46 13.711 -7.679 0.717 320 HA3 GLY 46 HA2 GLY 46 15.335 -7.768 0.051 321 H HIS 47 H HIS 47 12.360 -7.534 -1.794 322 HA HIS 47 HA HIS 47 12.680 -4.709 -2.279 323 HB2 HIS 47 HB2 HIS 47 14.333 -5.709 -3.855 324 HB3 HIS 47 HB3 HIS 47 13.035 -6.652 -4.579 325 HD1 HIS 47 HD1 HIS 47 11.656 -5.520 -6.386 326 HD2 HIS 47 HD2 HIS 47 14.099 -2.868 -4.303 327 HE1 HIS 47 HE1 HIS 47 11.480 -3.325 -7.602 328 HE2 HIS 47 HE2 HIS 47 12.803 -1.696 -6.208 329 H PHE 48 H PHE 48 10.635 -4.001 -2.195 330 HA PHE 48 HA PHE 48 8.386 -5.664 -2.456 331 HB2 PHE 48 HB2 PHE 48 8.690 -2.670 -2.574 332 HB3 PHE 48 HB3 PHE 48 7.124 -3.457 -2.744 333 HD1 PHE 48 HD1 PHE 48 6.476 -5.105 -0.846 334 HD2 PHE 48 HD2 PHE 48 9.449 -2.086 -0.477 335 HE1 PHE 48 HE1 PHE 48 6.241 -5.180 1.600 336 HE2 PHE 48 HE2 PHE 48 9.221 -2.159 1.973 337 HZ PHE 48 HZ PHE 48 7.615 -3.708 3.013 338 H GLN 49 H GLN 49 7.097 -6.189 -4.133 339 HA GLN 49 HA GLN 49 7.768 -5.050 -6.748 340 HB2 GLN 49 HB2 GLN 49 8.824 -7.176 -6.742 341 HB3 GLN 49 HB3 GLN 49 7.433 -7.945 -5.993 342 HG2 GLN 49 HG2 GLN 49 6.270 -8.073 -7.940 343 HG3 GLN 49 HG3 GLN 49 7.050 -6.655 -8.633 344 HE21 GLN 49 HE21 GLN 49 7.241 -10.072 -8.118 345 HE22 GLN 49 HE22 GLN 49 8.579 -10.370 -9.168 346 H TRP 50 H TRP 50 6.071 -4.009 -7.443 347 HA TRP 50 HA TRP 50 3.436 -4.474 -6.516 348 HB2 TRP 50 HB2 TRP 50 4.536 -2.890 -8.845 349 HB3 TRP 50 HB3 TRP 50 2.815 -2.969 -8.481 350 HD1 TRP 50 HD1 TRP 50 5.843 -1.005 -7.662 351 HE1 TRP 50 HE1 TRP 50 5.366 0.596 -5.696 352 HE3 TRP 50 HE3 TRP 50 1.404 -2.978 -6.077 353 HZ2 TRP 50 HZ2 TRP 50 3.368 0.967 -3.741 354 HZ3 TRP 50 HZ3 TRP 50 0.273 -1.946 -4.153 355 HH2 TRP 50 HH2 TRP 50 1.233 -0.014 -3.010 356 H GLY 51 H GLY 51 2.261 -6.161 -6.997 357 HA2 GLY 51 HA3 GLY 51 1.000 -7.456 -8.554 358 HA3 GLY 51 HA2 GLY 51 2.244 -7.164 -9.763 359 H GLY 52 H GLY 52 2.697 -8.260 -6.438 360 HA2 GLY 52 HA3 GLY 52 3.927 -10.703 -7.533 361 HA3 GLY 52 HA2 GLY 52 4.389 -9.947 -6.016 362 H GLN 53 H GLN 53 2.183 -9.608 -4.636 363 HA GLN 53 HA GLN 53 0.522 -10.517 -3.410 364 HB2 GLN 53 HB2 GLN 53 -0.744 -11.201 -5.237 365 HB3 GLN 53 HB3 GLN 53 0.427 -12.417 -5.724 366 HG2 GLN 53 HG2 GLN 53 -0.193 -13.764 -3.763 367 HG3 GLN 53 HG3 GLN 53 -1.373 -12.537 -3.314 368 HE21 GLN 53 HE21 GLN 53 -3.253 -12.305 -4.553 369 HE22 GLN 53 HE22 GLN 53 -3.783 -13.539 -5.644 370 H ASN 54 H ASN 54 0.451 -11.700 -1.635 371 HA ASN 54 HA ASN 54 1.058 -13.003 0.081 372 HB2 ASN 54 HB2 ASN 54 0.775 -14.817 -1.672 373 HB3 ASN 54 HB3 ASN 54 2.527 -14.794 -1.839 374 HD21 ASN 54 HD21 ASN 54 2.552 -16.969 -1.141 375 HD22 ASN 54 HD22 ASN 54 2.440 -17.347 0.546 376 H PHE 55 H PHE 55 2.569 -10.788 -0.507 377 HA PHE 55 HA PHE 55 5.368 -11.385 -0.315 378 HB2 PHE 55 HB2 PHE 55 5.744 -9.065 -0.307 379 HB3 PHE 55 HB3 PHE 55 4.287 -9.236 -1.267 380 HD1 PHE 55 HD2 PHE 55 2.047 -8.823 -0.113 381 HD2 PHE 55 HD1 PHE 55 5.792 -7.660 1.539 382 HE1 PHE 55 HE2 PHE 55 0.904 -7.187 1.324 383 HE2 PHE 55 HE1 PHE 55 4.655 -6.020 2.976 384 HZ PHE 55 HZ PHE 55 2.207 -5.783 2.868 385 H THR 56 H THR 56 2.752 -10.798 1.873 386 HA THR 56 HA THR 56 4.165 -10.174 4.202 387 HB THR 56 HB THR 56 2.113 -10.966 5.387 388 HG1 THR 56 HG1 THR 56 1.212 -12.551 4.226 389 HG21 THR 56 HG21 THR 56 0.597 -9.304 4.310 390 HG22 THR 56 HG22 THR 56 1.766 -9.160 2.999 391 HG23 THR 56 HG23 THR 56 2.215 -8.688 4.638 392 H GLU 57 H GLU 57 3.793 -13.199 2.548 393 HA GLU 57 HA GLU 57 4.257 -14.860 4.820 394 HB2 GLU 57 HB2 GLU 57 4.168 -16.647 3.383 395 HB3 GLU 57 HB3 GLU 57 3.314 -15.446 2.424 396 HG2 GLU 57 HG2 GLU 57 4.978 -15.274 0.897 397 HG3 GLU 57 HG3 GLU 57 6.234 -15.681 2.065 398 H THR 58 H THR 58 6.239 -12.834 2.969 399 HA THR 58 HA THR 58 8.651 -14.108 4.090 400 HB THR 58 HB THR 58 9.919 -13.342 2.139 401 HG1 THR 58 HG1 THR 58 7.440 -12.172 1.500 402 HG21 THR 58 HG21 THR 58 9.078 -14.889 0.498 403 HG22 THR 58 HG22 THR 58 7.467 -14.843 1.216 404 HG23 THR 58 HG23 THR 58 8.806 -15.584 2.098 405 H ALA 59 H ALA 59 6.651 -11.606 4.384 406 HA ALA 59 HA ALA 59 8.781 -9.677 4.992 407 HB1 ALA 59 HB1 ALA 59 7.191 -7.902 4.602 408 HB2 ALA 59 HB2 ALA 59 7.271 -8.952 3.185 409 HB3 ALA 59 HB3 ALA 59 5.909 -9.075 4.301 410 H GLU 60 H GLU 60 8.627 -8.489 6.879 411 HA GLU 60 HA GLU 60 6.593 -9.231 8.844 412 HB2 GLU 60 HB2 GLU 60 9.086 -9.156 10.210 413 HB3 GLU 60 HB3 GLU 60 7.974 -10.511 10.052 414 HG2 GLU 60 HG2 GLU 60 9.057 -11.074 7.891 415 HG3 GLU 60 HG3 GLU 60 10.245 -9.805 8.190 416 H ASP 61 H ASP 61 7.003 -7.803 10.904 417 HA ASP 61 HA ASP 61 6.863 -5.657 11.732 418 HB2 ASP 61 HB2 ASP 61 9.446 -6.228 11.301 419 HB3 ASP 61 HB3 ASP 61 9.288 -4.898 10.169 420 H ILE 62 H ILE 62 5.124 -5.817 9.738 421 HA ILE 62 HA ILE 62 5.700 -3.854 7.689 422 HB ILE 62 HB ILE 62 3.022 -5.167 8.071 423 HG12 ILE 62 HG13 ILE 62 5.573 -6.355 6.966 424 HG13 ILE 62 3HG1 ILE 62 4.493 -7.035 8.172 425 HG21 ILE 62 HG21 ILE 62 4.560 -4.210 5.654 426 HG22 ILE 62 HG22 ILE 62 2.969 -4.969 5.616 427 HG23 ILE 62 HG23 ILE 62 3.182 -3.408 6.408 428 HD11 ILE 62 HD11 ILE 62 4.282 -8.230 6.104 429 HD12 ILE 62 HD12 ILE 62 2.788 -7.351 6.433 430 HD13 ILE 62 HD13 ILE 62 3.932 -6.734 5.239 431 H ARG 63 H ARG 63 5.573 -1.825 8.201 432 HA ARG 63 HA ARG 63 3.225 -0.875 9.701 433 HB2 ARG 63 HB2 ARG 63 4.942 1.080 10.276 434 HB3 ARG 63 HB3 ARG 63 4.810 -0.366 11.267 435 HG2 ARG 63 HG2 ARG 63 6.672 -0.883 9.187 436 HG3 ARG 63 HG3 ARG 63 7.086 0.657 9.943 437 HD2 ARG 63 HD2 ARG 63 8.100 -1.443 10.953 438 HD3 ARG 63 HD3 ARG 63 7.318 -0.318 12.061 439 HE ARG 63 HE ARG 63 5.729 -2.563 11.071 440 HH11 ARG 63 HH12 ARG 63 7.683 -1.226 13.649 441 HH12 ARG 63 HH11 ARG 63 6.955 -2.202 14.894 442 HH21 ARG 63 HH22 ARG 63 4.750 -3.867 12.715 443 HH22 ARG 63 HH21 ARG 63 5.319 -3.721 14.356 444 H PHE 64 H PHE 64 2.001 0.448 8.590 445 HA PHE 64 HA PHE 64 2.939 1.448 6.028 446 HB2 PHE 64 HB2 PHE 64 0.844 0.300 5.957 447 HB3 PHE 64 HB3 PHE 64 0.216 1.233 7.306 448 HD1 PHE 64 HD2 PHE 64 1.978 2.426 4.246 449 HD2 PHE 64 HD1 PHE 64 -1.641 2.283 6.475 450 HE1 PHE 64 HE2 PHE 64 0.963 4.049 2.700 451 HE2 PHE 64 HE1 PHE 64 -2.651 3.894 4.934 452 HZ PHE 64 HZ PHE 64 -1.360 4.775 3.035 453 H HIS 65 H HIS 65 3.262 3.500 5.523 454 HA HIS 65 HA HIS 65 2.585 5.569 7.519 455 HB2 HIS 65 HB2 HIS 65 5.114 4.820 7.009 456 HB3 HIS 65 HB3 HIS 65 4.906 5.978 5.700 457 HD1 HIS 65 HD1 HIS 65 5.346 5.713 9.363 458 HD2 HIS 65 HD2 HIS 65 4.520 8.667 6.551 459 HE1 HIS 65 HE1 HIS 65 5.688 7.906 10.552 460 HE2 HIS 65 HE2 HIS 65 5.172 9.682 8.842 461 HA PRO 66 HA PRO 66 0.205 6.409 3.654 462 HB2 PRO 66 HB2 PRO 66 -1.468 8.142 5.039 463 HB3 PRO 66 HB3 PRO 66 -1.769 6.450 4.701 464 HG2 PRO 66 HG2 PRO 66 -0.809 7.727 7.184 465 HG3 PRO 66 HG3 PRO 66 -1.813 6.278 6.975 466 HD2 PRO 66 HD2 PRO 66 0.811 6.172 7.658 467 HD3 PRO 66 HD3 PRO 66 0.016 4.903 6.703 468 H LYS 67 H LYS 67 1.221 8.701 6.035 469 HA LYS 67 HA LYS 67 1.726 10.639 3.871 470 HB2 LYS 67 HB2 LYS 67 1.407 12.129 6.244 471 HB3 LYS 67 HB3 LYS 67 0.372 12.125 4.827 472 HG2 LYS 67 HG2 LYS 67 0.004 10.036 6.920 473 HG3 LYS 67 HG3 LYS 67 -0.614 11.667 7.187 474 HD2 LYS 67 HD2 LYS 67 -1.320 10.838 4.550 475 HD3 LYS 67 HD3 LYS 67 -1.779 9.567 5.686 476 HE2 LYS 67 HE2 LYS 67 -3.586 11.190 5.335 477 HE3 LYS 67 HE3 LYS 67 -3.033 11.160 7.009 478 HZ1 LYS 67 HZ1 LYS 67 -3.427 13.416 5.971 479 HZ2 LYS 67 HZ2 LYS 67 -2.020 13.154 5.059 480 HZ3 LYS 67 HZ3 LYS 67 -1.938 13.199 6.751 481 H GLU 68 H GLU 68 3.874 9.881 3.767 482 HA GLU 68 HA GLU 68 5.603 9.890 5.999 483 HB2 GLU 68 HB2 GLU 68 6.281 8.594 4.132 484 HB3 GLU 68 HB3 GLU 68 6.160 9.971 3.043 485 HG2 GLU 68 HG2 GLU 68 8.102 10.957 3.874 486 HG3 GLU 68 HG3 GLU 68 8.100 9.953 5.327 487 H GLY 69 H GLY 69 6.247 11.511 7.141 488 HA2 GLY 69 HA3 GLY 69 6.813 13.614 7.820 489 HA3 GLY 69 HA2 GLY 69 7.682 13.702 6.298 490 H ALA 70 H ALA 70 7.284 15.873 6.019 491 HA ALA 70 HA ALA 70 4.563 16.867 5.956 492 HB1 ALA 70 HB1 ALA 70 5.586 19.005 5.360 493 HB2 ALA 70 HB2 ALA 70 6.385 18.298 6.765 494 HB3 ALA 70 HB3 ALA 70 7.152 18.214 5.180 495 H ALA 71 H ALA 71 6.389 15.039 3.966 496 HA ALA 71 HA ALA 71 5.787 16.236 1.433 497 HB1 ALA 71 HB1 ALA 71 6.803 13.476 2.127 498 HB2 ALA 71 HB2 ALA 71 6.698 14.148 0.495 499 HB3 ALA 71 HB3 ALA 71 7.777 14.880 1.681 500 H GLU 72 H GLU 72 4.207 14.138 3.633 501 HA GLU 72 HA GLU 72 2.254 12.991 3.637 502 HB2 GLU 72 HB2 GLU 72 1.631 14.960 1.432 503 HB3 GLU 72 HB3 GLU 72 0.440 13.875 2.137 504 HG2 GLU 72 HG2 GLU 72 2.019 15.862 3.739 505 HG3 GLU 72 HG3 GLU 72 0.449 16.218 3.021 506 H GLN 73 H GLN 73 4.303 11.733 2.332 507 HA GLN 73 HA GLN 73 3.120 10.678 -0.133 508 HB2 GLN 73 HB2 GLN 73 5.392 11.533 -0.347 509 HB3 GLN 73 HB3 GLN 73 5.936 10.460 0.934 510 HG2 GLN 73 HG2 GLN 73 5.488 8.528 -0.434 511 HG3 GLN 73 HG3 GLN 73 4.789 9.546 -1.693 512 HE21 GLN 73 HE21 GLN 73 6.125 10.734 -3.018 513 HE22 GLN 73 HE22 GLN 73 7.840 10.472 -3.088 514 HA PRO 74 HA PRO 74 2.058 7.090 2.284 515 HB2 PRO 74 HB2 PRO 74 0.811 5.746 0.295 516 HB3 PRO 74 HB3 PRO 74 0.052 7.098 1.149 517 HG2 PRO 74 HG2 PRO 74 1.425 7.067 -1.513 518 HG3 PRO 74 HG3 PRO 74 -0.078 7.879 -1.038 519 HD2 PRO 74 HD2 PRO 74 2.300 9.177 -1.221 520 HD3 PRO 74 HD3 PRO 74 1.034 9.649 -0.069 521 H ILE 75 H ILE 75 3.804 5.892 2.739 522 HA ILE 75 HA ILE 75 4.769 4.122 0.622 523 HB ILE 75 HB ILE 75 7.042 4.468 0.985 524 HG12 ILE 75 HG13 ILE 75 7.561 6.288 2.957 525 HG13 ILE 75 3HG1 ILE 75 6.225 5.376 3.657 526 HG21 ILE 75 HG21 ILE 75 7.430 6.908 0.819 527 HG22 ILE 75 HG22 ILE 75 6.158 6.314 -0.248 528 HG23 ILE 75 HG23 ILE 75 5.735 7.165 1.237 529 HD11 ILE 75 HD11 ILE 75 8.394 4.455 4.289 530 HD12 ILE 75 HD12 ILE 75 7.452 3.304 3.338 531 HD13 ILE 75 HD13 ILE 75 8.779 4.193 2.590 532 H LEU 76 H LEU 76 5.277 2.097 1.280 533 HA LEU 76 HA LEU 76 4.637 1.485 4.085 534 HB2 LEU 76 HB2 LEU 76 3.001 0.635 2.483 535 HB3 LEU 76 HB3 LEU 76 4.266 -0.166 1.581 536 HG LEU 76 HG LEU 76 2.704 -1.517 3.178 537 HD11 LEU 76 HD11 LEU 76 4.552 -2.484 1.926 538 HD12 LEU 76 HD12 LEU 76 5.689 -1.925 3.154 539 HD13 LEU 76 HD13 LEU 76 4.485 -3.147 3.559 540 HD21 LEU 76 HD21 LEU 76 3.096 -0.136 5.150 541 HD22 LEU 76 HD22 LEU 76 3.596 -1.806 5.414 542 HD23 LEU 76 HD23 LEU 76 4.807 -0.564 5.106 543 H ARG 77 H ARG 77 6.190 0.594 5.286 544 HA ARG 77 HA ARG 77 8.473 -0.626 3.889 545 HB2 ARG 77 HB2 ARG 77 10.041 0.306 5.389 546 HB3 ARG 77 HB3 ARG 77 9.001 1.637 4.914 547 HG2 ARG 77 HG2 ARG 77 8.602 0.107 7.467 548 HG3 ARG 77 HG3 ARG 77 9.664 1.508 7.347 549 HD2 ARG 77 HD2 ARG 77 6.719 1.456 6.730 550 HD3 ARG 77 HD3 ARG 77 7.459 2.129 8.184 551 HE ARG 77 HE ARG 77 7.577 3.254 5.484 552 HH11 ARG 77 HH12 ARG 77 8.329 3.507 8.892 553 HH12 ARG 77 HH11 ARG 77 8.766 5.188 8.796 554 HH21 ARG 77 HH22 ARG 77 8.155 5.481 5.363 555 HH22 ARG 77 HH21 ARG 77 8.677 6.301 6.806 556 H ALA 78 H ALA 78 9.297 -2.447 4.730 557 HA ALA 78 HA ALA 78 8.479 -3.527 7.269 558 HB1 ALA 78 HB1 ALA 78 7.528 -4.861 4.730 559 HB2 ALA 78 HB2 ALA 78 7.393 -5.527 6.358 560 HB3 ALA 78 HB3 ALA 78 6.505 -4.067 5.929 561 H ARG 79 H ARG 79 9.411 -5.823 7.497 562 HA ARG 79 HA ARG 79 12.114 -5.777 6.427 563 HB2 ARG 79 HB2 ARG 79 11.050 -8.003 8.138 564 HB3 ARG 79 HB3 ARG 79 12.687 -7.383 8.033 565 HG2 ARG 79 HG2 ARG 79 10.341 -6.185 9.475 566 HG3 ARG 79 HG3 ARG 79 11.862 -6.776 10.151 567 HD2 ARG 79 HD2 ARG 79 13.051 -4.967 8.950 568 HD3 ARG 79 HD3 ARG 79 11.490 -4.371 8.385 569 HE ARG 79 HE ARG 79 10.945 -4.041 10.805 570 HH11 ARG 79 HH12 ARG 79 14.272 -4.052 9.700 571 HH12 ARG 79 HH11 ARG 79 14.827 -2.995 10.957 572 HH21 ARG 79 HH22 ARG 79 11.673 -2.663 12.457 573 HH22 ARG 79 HH21 ARG 79 13.349 -2.203 12.528 574 H LEU 80 H LEU 80 12.497 -6.686 4.546 575 HA LEU 80 HA LEU 80 10.720 -8.804 3.588 576 HB2 LEU 80 HB2 LEU 80 12.366 -6.699 2.293 577 HB3 LEU 80 HB3 LEU 80 12.181 -8.212 1.435 578 HG LEU 80 HG LEU 80 9.893 -7.930 1.166 579 HD11 LEU 80 HD11 LEU 80 9.955 -5.778 3.244 580 HD12 LEU 80 HD12 LEU 80 8.540 -6.272 2.310 581 HD13 LEU 80 HD13 LEU 80 9.298 -7.408 3.427 582 HD21 LEU 80 HD21 LEU 80 11.175 -5.230 0.969 583 HD22 LEU 80 HD22 LEU 80 11.077 -6.465 -0.287 584 HD23 LEU 80 HD23 LEU 80 9.612 -5.648 0.261 585 H ARG 81 H ARG 81 11.408 -10.787 3.210 586 HA ARG 81 HA ARG 81 14.000 -11.566 4.140 587 HB2 ARG 81 HB2 ARG 81 12.177 -13.047 4.580 588 HB3 ARG 81 HB3 ARG 81 11.723 -13.097 2.883 589 HG2 ARG 81 HG2 ARG 81 14.452 -14.010 3.459 590 HG3 ARG 81 HG3 ARG 81 13.171 -15.000 4.147 591 HD2 ARG 81 HD2 ARG 81 12.115 -14.921 1.815 592 HD3 ARG 81 HD3 ARG 81 13.680 -14.313 1.272 593 HE ARG 81 HE ARG 81 14.628 -16.393 1.677 594 HH11 ARG 81 HH12 ARG 81 11.295 -16.330 2.720 595 HH12 ARG 81 HH11 ARG 81 11.102 -18.056 2.671 596 HH21 ARG 81 HH22 ARG 81 14.408 -18.668 1.624 597 HH22 ARG 81 HH21 ARG 81 12.879 -19.393 2.053 598 H ASP 82 H ASP 82 15.753 -12.116 3.046 599 HA ASP 82 HA ASP 82 15.832 -11.414 0.219 600 HB2 ASP 82 HB2 ASP 82 18.026 -12.034 2.199 601 HB3 ASP 82 HB3 ASP 82 18.311 -11.746 0.487 602 H CYS 83 H CYS 83 17.386 -12.818 -1.120 603 HA CYS 83 HA CYS 83 16.234 -15.337 -1.464 604 HB2 CYS 83 HB2 CYS 83 17.491 -13.989 -3.174 605 HB3 CYS 83 HB3 CYS 83 18.985 -14.463 -2.374 606 HG CYS 83 HG CYS 83 17.449 -15.964 -4.769 607 H ASN 84 H ASN 84 18.856 -14.279 0.529 608 HA ASN 84 HA ASN 84 20.069 -16.811 0.983 609 HB2 ASN 84 HB2 ASN 84 21.400 -14.881 1.340 610 HB3 ASN 84 HB3 ASN 84 20.202 -14.155 2.404 611 HD21 ASN 84 HD21 ASN 84 22.696 -16.564 2.113 612 HD22 ASN 84 HD22 ASN 84 22.876 -16.861 3.816 613 H GLY 85 H GLY 85 17.348 -15.172 2.373 614 HA2 GLY 85 HA3 GLY 85 15.696 -16.370 3.618 615 HA3 GLY 85 HA2 GLY 85 16.961 -17.451 4.191 616 H GLU 86 H GLU 86 16.981 -13.952 4.080 617 HA GLU 86 HA GLU 86 17.059 -13.850 7.020 618 HB2 GLU 86 HB2 GLU 86 18.735 -12.080 6.839 619 HB3 GLU 86 HB3 GLU 86 19.294 -13.541 6.034 620 HG2 GLU 86 HG2 GLU 86 18.446 -12.523 3.884 621 HG3 GLU 86 HG3 GLU 86 18.293 -11.012 4.782 622 H PHE 87 H PHE 87 17.075 -11.029 7.224 623 HA PHE 87 HA PHE 87 14.790 -10.160 5.629 624 HB2 PHE 87 HB2 PHE 87 13.573 -9.343 7.630 625 HB3 PHE 87 HB3 PHE 87 13.705 -11.095 7.585 626 HD1 PHE 87 HD1 PHE 87 15.465 -12.201 9.046 627 HD2 PHE 87 HD2 PHE 87 14.325 -8.123 9.463 628 HE1 PHE 87 HE1 PHE 87 16.394 -12.179 11.325 629 HE2 PHE 87 HE2 PHE 87 15.255 -8.092 11.739 630 HZ PHE 87 HZ PHE 87 16.293 -10.119 12.671 631 H HIS 88 H HIS 88 14.692 -8.175 5.136 632 HA HIS 88 HA HIS 88 16.475 -6.231 6.404 633 HB2 HIS 88 HB2 HIS 88 16.497 -7.124 3.548 634 HB3 HIS 88 HB3 HIS 88 16.920 -5.478 3.948 635 HD1 HIS 88 HD1 HIS 88 18.351 -8.725 3.539 636 HD2 HIS 88 HD2 HIS 88 19.173 -5.411 5.919 637 HE1 HIS 88 HE1 HIS 88 20.733 -9.014 4.314 638 HE2 HIS 88 HE2 HIS 88 21.144 -7.090 5.886 639 H ASP 89 H ASP 89 15.419 -4.394 6.775 640 HA ASP 89 HA ASP 89 12.706 -4.091 6.016 641 HB2 ASP 89 HB2 ASP 89 12.997 -1.773 7.024 642 HB3 ASP 89 HB3 ASP 89 13.323 -3.138 8.088 643 H ARG 90 H ARG 90 12.001 -3.574 4.075 644 HA ARG 90 HA ARG 90 13.522 -1.564 2.528 645 HB2 ARG 90 HB2 ARG 90 11.629 -3.695 1.504 646 HB3 ARG 90 HB3 ARG 90 12.520 -2.546 0.516 647 HG2 ARG 90 HG2 ARG 90 13.693 -4.736 2.211 648 HG3 ARG 90 HG3 ARG 90 13.578 -4.712 0.451 649 HD2 ARG 90 HD2 ARG 90 15.020 -2.677 0.454 650 HD3 ARG 90 HD3 ARG 90 15.222 -2.881 2.195 651 HE ARG 90 HE ARG 90 15.931 -5.148 0.509 652 HH11 ARG 90 HH12 ARG 90 17.045 -2.335 2.284 653 HH12 ARG 90 HH11 ARG 90 18.670 -2.941 2.450 654 HH21 ARG 90 HH22 ARG 90 18.067 -5.925 0.710 655 HH22 ARG 90 HH21 ARG 90 19.251 -4.964 1.553 656 H ASP 91 H ASP 91 11.897 -0.418 0.918 657 HA ASP 91 HA ASP 91 9.323 0.047 2.196 658 HB2 ASP 91 HB2 ASP 91 9.573 2.470 2.185 659 HB3 ASP 91 HB3 ASP 91 10.811 1.738 3.193 660 H VAL 92 H VAL 92 7.774 0.870 0.820 661 HA VAL 92 HA VAL 92 8.576 1.099 -1.991 662 HB VAL 92 HB VAL 92 7.701 -1.174 -1.540 663 HG11 VAL 92 HG11 VAL 92 6.071 -0.651 0.185 664 HG12 VAL 92 HG12 VAL 92 5.097 0.231 -0.995 665 HG13 VAL 92 HG13 VAL 92 5.320 -1.511 -1.163 666 HG21 VAL 92 HG21 VAL 92 6.066 0.525 -3.393 667 HG22 VAL 92 HG22 VAL 92 7.619 -0.236 -3.745 668 HG23 VAL 92 HG23 VAL 92 6.194 -1.235 -3.454 669 H ASN 93 H ASN 93 7.344 2.392 -3.249 670 HA ASN 93 HA ASN 93 5.939 4.494 -1.850 671 HB2 ASN 93 HB2 ASN 93 6.916 4.079 -4.656 672 HB3 ASN 93 HB3 ASN 93 5.788 5.374 -4.296 673 HD21 ASN 93 HD21 ASN 93 8.580 5.465 -5.206 674 HD22 ASN 93 HD22 ASN 93 9.421 6.414 -4.018 675 H LEU 94 H LEU 94 3.866 4.222 -1.358 676 HA LEU 94 HA LEU 94 2.198 2.414 -2.861 677 HB2 LEU 94 HB2 LEU 94 1.532 4.242 -0.552 678 HB3 LEU 94 HB3 LEU 94 0.433 3.066 -1.245 679 HG LEU 94 HG LEU 94 2.812 2.643 0.502 680 HD11 LEU 94 HD11 LEU 94 0.599 2.688 1.477 681 HD12 LEU 94 HD12 LEU 94 0.061 1.430 0.366 682 HD13 LEU 94 HD13 LEU 94 1.284 1.069 1.583 683 HD21 LEU 94 HD21 LEU 94 2.887 0.280 -0.094 684 HD22 LEU 94 HD22 LEU 94 1.710 0.558 -1.377 685 HD23 LEU 94 HD23 LEU 94 3.310 1.293 -1.475 686 H ASN 95 H ASN 95 3.198 5.398 -3.563 687 HA ASN 95 HA ASN 95 0.877 6.818 -4.269 688 HB2 ASN 95 HB2 ASN 95 3.501 6.938 -5.770 689 HB3 ASN 95 HB3 ASN 95 2.270 8.192 -5.671 690 HD21 ASN 95 HD21 ASN 95 5.030 6.844 -4.299 691 HD22 ASN 95 HD22 ASN 95 5.156 7.857 -2.919 692 H ARG 96 H ARG 96 2.214 3.988 -5.539 693 HA ARG 96 HA ARG 96 1.449 4.177 -8.251 694 HB2 ARG 96 HB2 ARG 96 2.064 1.915 -6.387 695 HB3 ARG 96 HB3 ARG 96 1.358 1.567 -7.955 696 HG2 ARG 96 HG2 ARG 96 3.815 1.367 -7.908 697 HG3 ARG 96 HG3 ARG 96 3.230 2.539 -9.085 698 HD2 ARG 96 HD2 ARG 96 3.953 3.532 -6.374 699 HD3 ARG 96 HD3 ARG 96 5.257 3.064 -7.467 700 HE ARG 96 HE ARG 96 3.326 4.812 -8.678 701 HH11 ARG 96 HH12 ARG 96 6.241 4.629 -6.753 702 HH12 ARG 96 HH11 ARG 96 6.733 6.259 -7.111 703 HH21 ARG 96 HH22 ARG 96 3.996 6.924 -9.219 704 HH22 ARG 96 HH21 ARG 96 5.477 7.553 -8.550 705 H ILE 97 H ILE 97 -0.266 3.594 -5.334 706 HA ILE 97 HA ILE 97 -2.556 2.368 -6.562 707 HB ILE 97 HB ILE 97 -2.268 3.562 -3.803 708 HG12 ILE 97 HG13 ILE 97 -2.180 0.631 -4.349 709 HG13 ILE 97 3HG1 ILE 97 -0.737 1.578 -4.697 710 HG21 ILE 97 HG21 ILE 97 -4.266 1.594 -4.917 711 HG22 ILE 97 HG22 ILE 97 -4.157 2.109 -3.233 712 HG23 ILE 97 HG23 ILE 97 -4.590 3.272 -4.484 713 HD11 ILE 97 HD11 ILE 97 -0.689 0.569 -2.473 714 HD12 ILE 97 HD12 ILE 97 -0.644 2.333 -2.413 715 HD13 ILE 97 HD13 ILE 97 -2.142 1.475 -2.042 716 H GLN 98 H GLN 98 -4.184 3.347 -7.476 717 HA GLN 98 HA GLN 98 -4.573 6.232 -7.017 718 HB2 GLN 98 HB2 GLN 98 -3.721 5.628 -9.305 719 HB3 GLN 98 HB3 GLN 98 -5.189 4.697 -9.545 720 HG2 GLN 98 HG2 GLN 98 -6.496 6.785 -9.208 721 HG3 GLN 98 HG3 GLN 98 -4.973 7.670 -9.153 722 HE21 GLN 98 HE21 GLN 98 -7.202 7.900 -11.029 723 HE22 GLN 98 HE22 GLN 98 -6.533 7.612 -12.597 724 H ASN 99 H ASN 99 -6.817 6.921 -7.321 725 HA ASN 99 HA ASN 99 -8.660 4.868 -6.316 726 HB2 ASN 99 HB2 ASN 99 -8.601 6.592 -4.739 727 HB3 ASN 99 HB3 ASN 99 -8.481 7.847 -5.968 728 HD21 ASN 99 HD21 ASN 99 -10.303 8.687 -6.852 729 HD22 ASN 99 HD22 ASN 99 -11.892 8.308 -6.283 730 H VAL 100 H VAL 100 -10.108 4.114 -7.657 731 HA VAL 100 HA VAL 100 -10.875 5.746 -9.980 732 HB VAL 100 HB VAL 100 -10.978 2.736 -9.714 733 HG11 VAL 100 HG11 VAL 100 -12.695 3.657 -11.198 734 HG12 VAL 100 HG12 VAL 100 -11.446 4.500 -12.114 735 HG13 VAL 100 HG13 VAL 100 -11.483 2.737 -12.092 736 HG21 VAL 100 HG21 VAL 100 -9.115 2.712 -11.303 737 HG22 VAL 100 HG22 VAL 100 -9.057 4.474 -11.260 738 HG23 VAL 100 HG23 VAL 100 -8.679 3.543 -9.810 739 H ASN 101 H ASN 101 -12.572 6.820 -9.122 740 HA ASN 101 HA ASN 101 -14.688 7.246 -8.455 741 HB2 ASN 101 HB2 ASN 101 -15.033 5.713 -10.487 742 HB3 ASN 101 HB3 ASN 101 -15.423 4.462 -9.310 743 HD21 ASN 101 HD21 ASN 101 -17.549 4.289 -9.964 744 HD22 ASN 101 HD22 ASN 101 -18.725 5.533 -9.682 745 H GLY 102 H GLY 102 -12.824 5.854 -6.565 746 HA2 GLY 102 HA3 GLY 102 -13.410 5.771 -4.211 747 HA3 GLY 102 HA2 GLY 102 -14.923 5.010 -4.670 748 H ARG 103 H ARG 103 -12.209 3.851 -6.376 749 HA ARG 103 HA ARG 103 -12.013 1.577 -4.521 750 HB2 ARG 103 HB2 ARG 103 -12.047 0.016 -6.271 751 HB3 ARG 103 HB3 ARG 103 -13.305 1.162 -6.705 752 HG2 ARG 103 HG2 ARG 103 -11.683 2.280 -8.218 753 HG3 ARG 103 HG3 ARG 103 -10.532 0.994 -7.858 754 HD2 ARG 103 HD2 ARG 103 -11.594 0.433 -9.905 755 HD3 ARG 103 HD3 ARG 103 -12.240 -0.645 -8.670 756 HE ARG 103 HE ARG 103 -13.961 1.517 -8.802 757 HH11 ARG 103 HH12 ARG 103 -12.828 -0.986 -10.976 758 HH12 ARG 103 HH11 ARG 103 -14.315 -1.043 -11.881 759 HH21 ARG 103 HH22 ARG 103 -15.908 1.457 -10.012 760 HH22 ARG 103 HH21 ARG 103 -16.041 0.362 -11.356 761 H LEU 104 H LEU 104 -10.009 0.947 -3.978 762 HA LEU 104 HA LEU 104 -7.769 2.524 -4.922 763 HB2 LEU 104 HB2 LEU 104 -7.946 0.313 -2.868 764 HB3 LEU 104 HB3 LEU 104 -6.502 1.255 -3.198 765 HG LEU 104 HG LEU 104 -9.099 2.268 -2.046 766 HD11 LEU 104 HD11 LEU 104 -6.338 2.030 -0.861 767 HD12 LEU 104 HD12 LEU 104 -7.753 2.717 -0.066 768 HD13 LEU 104 HD13 LEU 104 -7.721 1.004 -0.481 769 HD21 LEU 104 HD21 LEU 104 -8.107 3.928 -3.541 770 HD22 LEU 104 HD22 LEU 104 -7.992 4.428 -1.855 771 HD23 LEU 104 HD23 LEU 104 -6.573 3.786 -2.682 772 H VAL 105 H VAL 105 -6.533 1.960 -6.573 773 HA VAL 105 HA VAL 105 -6.225 -0.894 -7.232 774 HB VAL 105 HB VAL 105 -6.427 1.321 -9.279 775 HG11 VAL 105 HG11 VAL 105 -6.582 -0.498 -10.898 776 HG12 VAL 105 HG12 VAL 105 -5.079 -0.584 -9.982 777 HG13 VAL 105 HG13 VAL 105 -6.408 -1.678 -9.598 778 HG21 VAL 105 HG21 VAL 105 -8.581 1.020 -8.191 779 HG22 VAL 105 HG22 VAL 105 -8.628 0.422 -9.849 780 HG23 VAL 105 HG23 VAL 105 -8.511 -0.714 -8.504 781 H PHE 106 H PHE 106 -4.167 -1.520 -7.682 782 HA PHE 106 HA PHE 106 -2.066 0.422 -7.165 783 HB2 PHE 106 HB2 PHE 106 -0.629 -1.422 -6.805 784 HB3 PHE 106 HB3 PHE 106 -2.178 -1.934 -6.148 785 HD1 PHE 106 HD1 PHE 106 -3.728 -3.059 -8.122 786 HD2 PHE 106 HD2 PHE 106 0.523 -3.038 -7.935 787 HE1 PHE 106 HE1 PHE 106 -3.657 -5.045 -9.571 788 HE2 PHE 106 HE2 PHE 106 0.600 -5.022 -9.383 789 HZ PHE 106 HZ PHE 106 -1.490 -6.026 -10.207 790 H GLN 107 H GLN 107 -0.464 1.005 -8.584 791 HA GLN 107 HA GLN 107 0.576 1.482 -10.521 792 HB2 GLN 107 HB2 GLN 107 -0.396 -1.265 -11.299 793 HB3 GLN 107 HB3 GLN 107 0.675 -0.289 -12.294 794 HG2 GLN 107 HG2 GLN 107 2.303 -0.259 -10.428 795 HG3 GLN 107 HG3 GLN 107 1.243 -1.355 -9.539 796 HE21 GLN 107 HE21 GLN 107 3.387 -1.009 -12.263 797 HE22 GLN 107 HE22 GLN 107 3.582 -2.702 -12.572 Start of MODEL 3 1 H MET 1 H MET 1 -3.337 14.563 -7.643 2 HA MET 1 HA MET 1 -2.325 12.776 -8.945 3 HB2 MET 1 HB2 MET 1 -0.704 12.071 -7.013 4 HB3 MET 1 HB3 MET 1 -0.752 13.732 -7.583 5 HG2 MET 1 HG2 MET 1 -2.168 14.344 -5.711 6 HG3 MET 1 HG3 MET 1 -2.179 12.672 -5.162 7 HE1 MET 1 HE1 MET 1 -1.401 13.484 -2.743 8 HE2 MET 1 HE2 MET 1 0.023 14.487 -2.463 9 HE3 MET 1 HE3 MET 1 -1.377 15.156 -3.304 10 H SER 2 H SER 2 -2.106 11.084 -5.925 11 HA SER 2 HA SER 2 -3.129 8.686 -7.253 12 HB2 SER 2 HB2 SER 2 -1.663 8.760 -4.623 13 HB3 SER 2 HB3 SER 2 -1.730 7.456 -5.811 14 HG SER 2 HG SER 2 -0.564 8.973 -7.239 15 H TYR 3 H TYR 3 -3.784 7.148 -5.005 16 HA TYR 3 HA TYR 3 -6.369 8.116 -4.412 17 HB2 TYR 3 HB2 TYR 3 -6.675 6.197 -3.103 18 HB3 TYR 3 HB3 TYR 3 -5.491 5.686 -4.297 19 HD1 TYR 3 HD1 TYR 3 -3.004 5.750 -3.572 20 HD2 TYR 3 HD2 TYR 3 -6.258 5.916 -0.838 21 HE1 TYR 3 HE1 TYR 3 -1.515 5.029 -1.760 22 HE2 TYR 3 HE2 TYR 3 -4.778 5.198 0.985 23 HH TYR 3 HH TYR 3 -2.640 3.950 1.224 24 H ALA 4 H ALA 4 -3.298 8.306 -2.774 25 HA ALA 4 HA ALA 4 -4.063 9.289 -0.294 26 HB1 ALA 4 HB1 ALA 4 -1.808 8.540 -0.797 27 HB2 ALA 4 HB2 ALA 4 -1.569 9.933 -1.852 28 HB3 ALA 4 HB3 ALA 4 -1.795 10.167 -0.119 29 H ASP 5 H ASP 5 -4.109 10.857 -3.362 30 HA ASP 5 HA ASP 5 -3.871 13.544 -2.646 31 HB2 ASP 5 HB2 ASP 5 -3.961 12.821 -4.976 32 HB3 ASP 5 HB3 ASP 5 -5.618 12.270 -4.763 33 H SER 6 H SER 6 -6.531 11.306 -2.399 34 HA SER 6 HA SER 6 -7.983 13.255 -0.760 35 HB2 SER 6 HB2 SER 6 -9.244 11.719 -3.046 36 HB3 SER 6 HB3 SER 6 -10.114 12.719 -1.886 37 HG SER 6 HG SER 6 -7.993 13.819 -3.389 38 H SER 7 H SER 7 -6.532 11.159 0.237 39 HA SER 7 HA SER 7 -8.611 9.200 0.966 40 HB2 SER 7 HB2 SER 7 -6.790 7.629 1.452 41 HB3 SER 7 HB3 SER 7 -6.700 8.197 -0.216 42 HG SER 7 HG SER 7 -5.300 9.745 1.573 43 H ARG 8 H ARG 8 -8.641 8.430 3.128 44 HA ARG 8 HA ARG 8 -7.119 9.887 5.134 45 HB2 ARG 8 HB2 ARG 8 -8.829 11.036 6.090 46 HB3 ARG 8 HB3 ARG 8 -9.508 10.964 4.472 47 HG2 ARG 8 HG2 ARG 8 -10.432 8.646 5.520 48 HG3 ARG 8 HG3 ARG 8 -10.380 9.674 6.953 49 HD2 ARG 8 HD2 ARG 8 -12.518 10.017 6.079 50 HD3 ARG 8 HD3 ARG 8 -11.595 11.409 5.514 51 HE ARG 8 HE ARG 8 -11.386 10.222 3.357 52 HH11 ARG 8 HH12 ARG 8 -13.925 9.265 5.575 53 HH12 ARG 8 HH11 ARG 8 -14.952 8.627 4.319 54 HH21 ARG 8 HH22 ARG 8 -12.707 9.415 1.723 55 HH22 ARG 8 HH21 ARG 8 -14.244 8.708 2.122 56 H ASN 9 H ASN 9 -7.542 8.935 7.322 57 HA ASN 9 HA ASN 9 -7.388 7.102 8.668 58 HB2 ASN 9 HB2 ASN 9 -9.898 6.513 7.108 59 HB3 ASN 9 HB3 ASN 9 -9.364 5.508 8.454 60 HD21 ASN 9 HD21 ASN 9 -11.758 7.200 8.113 61 HD22 ASN 9 HD22 ASN 9 -11.735 8.289 9.465 62 H ALA 10 H ALA 10 -5.788 6.951 6.326 63 HA ALA 10 HA ALA 10 -5.993 4.291 5.260 64 HB1 ALA 10 HB1 ALA 10 -5.113 6.244 3.975 65 HB2 ALA 10 HB2 ALA 10 -3.687 6.214 5.010 66 HB3 ALA 10 HB3 ALA 10 -4.052 4.835 3.970 67 H VAL 11 H VAL 11 -5.451 2.573 6.385 68 HA VAL 11 HA VAL 11 -2.959 2.543 7.927 69 HB VAL 11 HB VAL 11 -5.567 1.541 9.107 70 HG11 VAL 11 HG11 VAL 11 -4.248 1.316 11.177 71 HG12 VAL 11 HG12 VAL 11 -3.653 0.286 9.875 72 HG13 VAL 11 HG13 VAL 11 -2.801 1.775 10.279 73 HG21 VAL 11 HG21 VAL 11 -4.015 4.022 9.829 74 HG22 VAL 11 HG22 VAL 11 -5.602 3.967 9.060 75 HG23 VAL 11 HG23 VAL 11 -5.402 3.382 10.713 76 H LEU 12 H LEU 12 -2.089 0.434 8.160 77 HA LEU 12 HA LEU 12 -3.020 -1.443 6.155 78 HB2 LEU 12 HB2 LEU 12 -0.519 -0.846 7.353 79 HB3 LEU 12 HB3 LEU 12 -0.913 -2.495 7.790 80 HG LEU 12 HG LEU 12 -1.034 -3.175 5.515 81 HD11 LEU 12 HD11 LEU 12 -2.168 -1.258 4.561 82 HD12 LEU 12 HD12 LEU 12 -0.734 -0.258 4.806 83 HD13 LEU 12 HD13 LEU 12 -0.692 -1.595 3.657 84 HD21 LEU 12 HD21 LEU 12 1.196 -3.079 6.390 85 HD22 LEU 12 HD22 LEU 12 1.227 -2.556 4.706 86 HD23 LEU 12 HD23 LEU 12 1.321 -1.364 6.006 87 H THR 13 H THR 13 -3.830 -3.459 6.563 88 HA THR 13 HA THR 13 -4.496 -4.101 9.349 89 HB THR 13 HB THR 13 -6.317 -4.642 6.999 90 HG1 THR 13 HG1 THR 13 -5.889 -2.285 8.407 91 HG21 THR 13 HG21 THR 13 -6.730 -5.974 9.010 92 HG22 THR 13 HG22 THR 13 -8.039 -4.821 8.748 93 HG23 THR 13 HG23 THR 13 -6.817 -4.502 9.980 94 H ASN 14 H ASN 14 -5.007 -6.424 9.631 95 HA ASN 14 HA ASN 14 -4.721 -8.666 9.302 96 HB2 ASN 14 HB2 ASN 14 -5.214 -7.823 6.804 97 HB3 ASN 14 HB3 ASN 14 -3.548 -8.345 6.592 98 HD21 ASN 14 HD21 ASN 14 -5.892 -9.442 5.395 99 HD22 ASN 14 HD22 ASN 14 -5.968 -11.105 5.874 100 H GLY 15 H GLY 15 -2.503 -6.450 9.675 101 HA2 GLY 15 HA3 GLY 15 -0.404 -6.815 10.710 102 HA3 GLY 15 HA2 GLY 15 -0.333 -8.393 9.930 103 H GLY 16 H GLY 16 -1.387 -5.922 7.901 104 HA2 GLY 16 HA3 GLY 16 -0.020 -4.408 6.608 105 HA3 GLY 16 HA2 GLY 16 1.327 -5.512 6.838 106 H ARG 17 H ARG 17 -1.664 -7.003 6.186 107 HA ARG 17 HA ARG 17 -0.711 -7.718 3.512 108 HB2 ARG 17 HB2 ARG 17 -3.070 -9.030 4.793 109 HB3 ARG 17 HB3 ARG 17 -1.886 -9.709 3.689 110 HG2 ARG 17 HG2 ARG 17 -0.225 -9.576 5.586 111 HG3 ARG 17 HG3 ARG 17 -1.584 -9.177 6.627 112 HD2 ARG 17 HD2 ARG 17 -1.069 -11.564 6.704 113 HD3 ARG 17 HD3 ARG 17 -2.681 -11.262 6.057 114 HE ARG 17 HE ARG 17 -0.643 -11.513 4.039 115 HH11 ARG 17 HH12 ARG 17 -2.872 -13.268 6.086 116 HH12 ARG 17 HH11 ARG 17 -2.993 -14.631 5.009 117 HH21 ARG 17 HH22 ARG 17 -0.785 -13.288 2.616 118 HH22 ARG 17 HH21 ARG 17 -1.778 -14.654 3.051 119 H THR 18 H THR 18 -3.072 -5.814 5.069 120 HA THR 18 HA THR 18 -4.474 -5.509 2.506 121 HB THR 18 HB THR 18 -5.813 -5.514 5.219 122 HG1 THR 18 HG1 THR 18 -5.551 -7.506 3.193 123 HG21 THR 18 HG21 THR 18 -7.893 -5.480 3.932 124 HG22 THR 18 HG22 THR 18 -6.971 -5.423 2.429 125 HG23 THR 18 HG23 THR 18 -6.901 -4.069 3.558 126 H LEU 19 H LEU 19 -4.666 -3.489 1.839 127 HA LEU 19 HA LEU 19 -3.907 -1.302 3.620 128 HB2 LEU 19 HB2 LEU 19 -2.706 -1.444 1.522 129 HB3 LEU 19 HB3 LEU 19 -4.208 -1.505 0.622 130 HG LEU 19 HG LEU 19 -4.703 0.808 1.305 131 HD11 LEU 19 HD11 LEU 19 -2.947 2.157 2.357 132 HD12 LEU 19 HD12 LEU 19 -3.495 0.857 3.416 133 HD13 LEU 19 HD13 LEU 19 -1.961 0.707 2.558 134 HD21 LEU 19 HD21 LEU 19 -2.024 0.383 -0.007 135 HD22 LEU 19 HD22 LEU 19 -3.598 0.378 -0.803 136 HD23 LEU 19 HD23 LEU 19 -2.979 1.866 -0.086 137 H ARG 20 H ARG 20 -5.636 -0.596 4.724 138 HA ARG 20 HA ARG 20 -8.190 -0.257 3.311 139 HB2 ARG 20 HB2 ARG 20 -7.887 -1.574 5.559 140 HB3 ARG 20 HB3 ARG 20 -7.832 0.023 6.283 141 HG2 ARG 20 HG2 ARG 20 -10.103 -0.972 4.578 142 HG3 ARG 20 HG3 ARG 20 -10.062 -1.085 6.337 143 HD2 ARG 20 HD2 ARG 20 -9.941 1.467 4.731 144 HD3 ARG 20 HD3 ARG 20 -11.366 0.843 5.557 145 HE ARG 20 HE ARG 20 -9.036 2.090 6.778 146 HH11 ARG 20 HH12 ARG 20 -12.024 0.315 7.245 147 HH12 ARG 20 HH11 ARG 20 -12.225 0.838 8.891 148 HH21 ARG 20 HH22 ARG 20 -9.318 2.802 8.959 149 HH22 ARG 20 HH21 ARG 20 -10.706 2.258 9.854 150 H ALA 21 H ALA 21 -8.758 1.734 2.725 151 HA ALA 21 HA ALA 21 -7.984 4.027 4.343 152 HB1 ALA 21 HB1 ALA 21 -7.275 3.828 1.411 153 HB2 ALA 21 HB2 ALA 21 -7.094 5.262 2.422 154 HB3 ALA 21 HB3 ALA 21 -6.135 3.822 2.759 155 H GLU 22 H GLU 22 -9.253 5.916 3.838 156 HA GLU 22 HA GLU 22 -11.720 5.231 2.375 157 HB2 GLU 22 HB2 GLU 22 -11.518 7.421 4.424 158 HB3 GLU 22 HB3 GLU 22 -12.954 6.588 3.849 159 HG2 GLU 22 HG2 GLU 22 -11.806 4.504 4.921 160 HG3 GLU 22 HG3 GLU 22 -10.923 5.728 5.838 161 H CYS 23 H CYS 23 -11.772 6.171 0.447 162 HA CYS 23 HA CYS 23 -10.622 8.866 0.196 163 HB2 CYS 23 HB2 CYS 23 -10.572 6.960 -2.104 164 HB3 CYS 23 HB3 CYS 23 -9.521 8.330 -1.756 165 HG CYS 23 HG CYS 23 -9.378 5.192 -0.419 166 H ARG 24 H ARG 24 -11.742 10.316 -0.990 167 HA ARG 24 HA ARG 24 -14.506 9.887 -1.455 168 HB2 ARG 24 HB2 ARG 24 -14.452 12.117 -1.265 169 HB3 ARG 24 HB3 ARG 24 -12.699 12.111 -1.353 170 HG2 ARG 24 HG2 ARG 24 -14.347 11.999 -3.847 171 HG3 ARG 24 HG3 ARG 24 -14.050 13.532 -3.026 172 HD2 ARG 24 HD2 ARG 24 -11.835 13.543 -3.553 173 HD3 ARG 24 HD3 ARG 24 -11.710 11.785 -3.535 174 HE ARG 24 HE ARG 24 -13.232 12.177 -5.695 175 HH11 ARG 24 HH12 ARG 24 -10.255 13.726 -4.652 176 HH12 ARG 24 HH11 ARG 24 -9.688 14.021 -6.270 177 HH21 ARG 24 HH22 ARG 24 -12.469 12.566 -7.830 178 HH22 ARG 24 HH21 ARG 24 -10.936 13.340 -8.077 179 H ASN 25 H ASN 25 -15.619 9.679 -3.391 180 HA ASN 25 HA ASN 25 -14.111 8.388 -5.500 181 HB2 ASN 25 HB2 ASN 25 -16.191 7.586 -6.297 182 HB3 ASN 25 HB3 ASN 25 -16.279 7.532 -4.546 183 HD21 ASN 25 HD21 ASN 25 -18.454 7.500 -6.336 184 HD22 ASN 25 HD22 ASN 25 -19.420 8.904 -5.999 185 H ALA 26 H ALA 26 -15.397 8.891 -7.785 186 HA ALA 26 HA ALA 26 -14.327 11.324 -8.659 187 HB1 ALA 26 HB1 ALA 26 -16.497 9.702 -9.977 188 HB2 ALA 26 HB2 ALA 26 -15.435 10.875 -10.758 189 HB3 ALA 26 HB3 ALA 26 -14.768 9.379 -10.101 190 H ASP 27 H ASP 27 -17.551 10.490 -7.533 191 HA ASP 27 HA ASP 27 -18.843 12.878 -8.378 192 HB2 ASP 27 HB2 ASP 27 -20.026 10.758 -7.800 193 HB3 ASP 27 HB3 ASP 27 -19.619 11.030 -6.114 194 H GLY 28 H GLY 28 -16.850 12.061 -5.689 195 HA2 GLY 28 HA3 GLY 28 -15.780 13.808 -4.430 196 HA3 GLY 28 HA2 GLY 28 -17.238 14.777 -4.615 197 H ASN 29 H ASN 29 -17.998 11.577 -3.995 198 HA ASN 29 HA ASN 29 -18.770 12.241 -1.252 199 HB2 ASN 29 HB2 ASN 29 -20.292 11.072 -3.011 200 HB3 ASN 29 HB3 ASN 29 -19.333 9.645 -2.652 201 HD21 ASN 29 HD21 ASN 29 -19.583 8.588 -0.732 202 HD22 ASN 29 HD22 ASN 29 -20.843 8.958 0.392 203 H TRP 30 H TRP 30 -18.120 11.035 0.509 204 HA TRP 30 HA TRP 30 -15.478 9.947 0.350 205 HB2 TRP 30 HB2 TRP 30 -17.455 10.367 2.568 206 HB3 TRP 30 HB3 TRP 30 -15.980 9.447 2.841 207 HD1 TRP 30 HD1 TRP 30 -14.894 11.954 0.502 208 HE1 TRP 30 HE1 TRP 30 -13.854 13.993 1.692 209 HE3 TRP 30 HE3 TRP 30 -16.627 11.089 5.235 210 HZ2 TRP 30 HZ2 TRP 30 -13.790 15.080 4.295 211 HZ3 TRP 30 HZ3 TRP 30 -16.028 12.675 7.018 212 HH2 TRP 30 HH2 TRP 30 -14.639 14.628 6.555 213 H VAL 31 H VAL 31 -14.915 7.911 -0.012 214 HA VAL 31 HA VAL 31 -16.861 5.763 0.544 215 HB VAL 31 HB VAL 31 -14.870 5.662 -1.718 216 HG11 VAL 31 HG11 VAL 31 -17.423 4.151 -1.195 217 HG12 VAL 31 HG12 VAL 31 -16.400 3.970 -2.621 218 HG13 VAL 31 HG13 VAL 31 -15.778 3.534 -1.028 219 HG21 VAL 31 HG21 VAL 31 -16.209 7.591 -2.196 220 HG22 VAL 31 HG22 VAL 31 -16.713 6.271 -3.254 221 HG23 VAL 31 HG23 VAL 31 -17.695 6.700 -1.851 222 H THR 32 H THR 32 -15.891 3.711 1.111 223 HA THR 32 HA THR 32 -13.167 4.008 2.182 224 HB THR 32 HB THR 32 -15.230 1.905 2.889 225 HG1 THR 32 HG1 THR 32 -14.483 4.037 4.602 226 HG21 THR 32 HG21 THR 32 -13.790 1.472 4.816 227 HG22 THR 32 HG22 THR 32 -12.662 2.713 4.270 228 HG23 THR 32 HG23 THR 32 -12.891 1.250 3.314 229 H SER 33 H SER 33 -11.630 3.158 0.928 230 HA SER 33 HA SER 33 -12.326 0.874 -0.782 231 HB2 SER 33 HB2 SER 33 -10.155 1.736 -2.011 232 HB3 SER 33 HB3 SER 33 -11.716 2.510 -2.290 233 HG SER 33 HG SER 33 -10.497 4.203 -1.810 234 H GLU 34 H GLU 34 -11.224 -0.973 -0.632 235 HA GLU 34 HA GLU 34 -8.854 -1.028 1.122 236 HB2 GLU 34 HB2 GLU 34 -10.684 -3.382 0.980 237 HB3 GLU 34 HB3 GLU 34 -9.650 -2.851 2.299 238 HG2 GLU 34 HG2 GLU 34 -11.189 -1.057 2.823 239 HG3 GLU 34 HG3 GLU 34 -12.203 -1.505 1.455 240 H LEU 35 H LEU 35 -7.143 -2.035 0.311 241 HA LEU 35 HA LEU 35 -7.536 -3.898 -1.921 242 HB2 LEU 35 HB2 LEU 35 -6.791 -1.963 -3.049 243 HB3 LEU 35 HB3 LEU 35 -5.620 -1.586 -1.799 244 HG LEU 35 HG LEU 35 -4.197 -3.412 -2.495 245 HD11 LEU 35 HD11 LEU 35 -4.712 -4.824 -4.411 246 HD12 LEU 35 HD12 LEU 35 -5.913 -5.032 -3.136 247 HD13 LEU 35 HD13 LEU 35 -6.298 -4.062 -4.562 248 HD21 LEU 35 HD21 LEU 35 -3.956 -1.286 -3.666 249 HD22 LEU 35 HD22 LEU 35 -3.589 -2.646 -4.727 250 HD23 LEU 35 HD23 LEU 35 -5.134 -1.809 -4.870 251 H ASP 36 H ASP 36 -6.768 -5.776 -1.441 252 HA ASP 36 HA ASP 36 -5.135 -6.253 0.827 253 HB2 ASP 36 HB2 ASP 36 -6.817 -7.832 -0.326 254 HB3 ASP 36 HB3 ASP 36 -5.524 -8.164 -1.469 255 H LEU 37 H LEU 37 -3.072 -5.681 0.888 256 HA LEU 37 HA LEU 37 -1.480 -5.063 -1.345 257 HB2 LEU 37 HB2 LEU 37 -0.669 -5.854 1.445 258 HB3 LEU 37 HB3 LEU 37 0.407 -5.168 0.239 259 HG LEU 37 HG LEU 37 -1.873 -3.847 1.636 260 HD11 LEU 37 HD11 LEU 37 -0.138 -2.354 2.368 261 HD12 LEU 37 HD12 LEU 37 0.261 -4.031 2.755 262 HD13 LEU 37 HD13 LEU 37 1.036 -3.237 1.388 263 HD21 LEU 37 HD21 LEU 37 -1.453 -1.890 0.239 264 HD22 LEU 37 HD22 LEU 37 -0.295 -2.819 -0.714 265 HD23 LEU 37 HD23 LEU 37 -2.003 -3.262 -0.726 266 H ASP 38 H ASP 38 -1.685 -7.847 0.741 267 HA ASP 38 HA ASP 38 0.377 -9.355 -0.438 268 HB2 ASP 38 HB2 ASP 38 -1.218 -9.684 1.745 269 HB3 ASP 38 HB3 ASP 38 -1.844 -10.904 0.645 270 H THR 39 H THR 39 -2.455 -8.355 -1.831 271 HA THR 39 HA THR 39 -2.667 -10.828 -3.408 272 HB THR 39 HB THR 39 -4.719 -9.522 -2.330 273 HG1 THR 39 HG1 THR 39 -4.445 -11.446 -3.977 274 HG21 THR 39 HG21 THR 39 -4.570 -8.362 -5.111 275 HG22 THR 39 HG22 THR 39 -4.309 -7.453 -3.623 276 HG23 THR 39 HG23 THR 39 -5.889 -8.163 -3.957 277 H ILE 40 H ILE 40 -1.296 -7.749 -3.534 278 HA ILE 40 HA ILE 40 -0.715 -8.116 -6.378 279 HB ILE 40 HB ILE 40 -1.089 -5.637 -6.769 280 HG12 ILE 40 HG13 ILE 40 -3.076 -4.850 -5.212 281 HG13 ILE 40 3HG1 ILE 40 -2.319 -5.950 -4.069 282 HG21 ILE 40 HG21 ILE 40 -3.500 -5.916 -7.188 283 HG22 ILE 40 HG22 ILE 40 -2.546 -7.295 -7.736 284 HG23 ILE 40 HG23 ILE 40 -3.468 -7.401 -6.237 285 HD11 ILE 40 HD11 ILE 40 -1.008 -3.596 -5.395 286 HD12 ILE 40 HD12 ILE 40 -1.572 -3.679 -3.725 287 HD13 ILE 40 HD13 ILE 40 -0.239 -4.703 -4.259 288 H ILE 41 H ILE 41 0.596 -7.928 -3.533 289 HA ILE 41 HA ILE 41 2.897 -6.317 -4.444 290 HB ILE 41 HB ILE 41 1.815 -6.490 -1.625 291 HG12 ILE 41 HG13 ILE 41 1.748 -4.425 -3.766 292 HG13 ILE 41 3HG1 ILE 41 0.545 -4.826 -2.547 293 HG21 ILE 41 HG21 ILE 41 4.294 -5.073 -2.586 294 HG22 ILE 41 HG22 ILE 41 3.644 -5.061 -0.944 295 HG23 ILE 41 HG23 ILE 41 4.263 -6.561 -1.640 296 HD11 ILE 41 HD11 ILE 41 1.855 -3.682 -0.853 297 HD12 ILE 41 HD12 ILE 41 3.092 -3.311 -2.055 298 HD13 ILE 41 HD13 ILE 41 1.482 -2.604 -2.200 299 H GLY 42 H GLY 42 4.784 -7.386 -4.422 300 HA2 GLY 42 HA3 GLY 42 4.879 -9.899 -2.870 301 HA3 GLY 42 HA2 GLY 42 5.431 -9.835 -4.535 302 H ASN 43 H ASN 43 7.018 -10.688 -2.410 303 HA ASN 43 HA ASN 43 8.945 -8.477 -2.169 304 HB2 ASN 43 HB2 ASN 43 8.331 -9.149 0.020 305 HB3 ASN 43 HB3 ASN 43 8.437 -10.854 -0.388 306 HD21 ASN 43 HD21 ASN 43 9.820 -11.238 1.332 307 HD22 ASN 43 HD22 ASN 43 11.495 -10.767 1.284 308 H ASN 44 H ASN 44 10.414 -8.607 -3.662 309 HA ASN 44 HA ASN 44 11.277 -11.187 -4.710 310 HB2 ASN 44 HB2 ASN 44 10.767 -9.288 -6.255 311 HB3 ASN 44 HB3 ASN 44 12.093 -8.387 -5.533 312 HD21 ASN 44 HD21 ASN 44 14.193 -8.903 -6.062 313 HD22 ASN 44 HD22 ASN 44 14.599 -9.996 -7.340 314 H ASP 45 H ASP 45 12.199 -11.760 -2.644 315 HA ASP 45 HA ASP 45 13.792 -11.864 -1.008 316 HB2 ASP 45 HB2 ASP 45 16.056 -12.325 -1.908 317 HB3 ASP 45 HB3 ASP 45 14.781 -13.256 -2.672 318 H GLY 46 H GLY 46 13.040 -9.560 -0.506 319 HA2 GLY 46 HA3 GLY 46 13.912 -7.777 0.729 320 HA3 GLY 46 HA2 GLY 46 15.480 -8.056 -0.011 321 H HIS 47 H HIS 47 12.430 -7.655 -1.738 322 HA HIS 47 HA HIS 47 12.888 -4.886 -2.324 323 HB2 HIS 47 HB2 HIS 47 14.567 -6.000 -3.810 324 HB3 HIS 47 HB3 HIS 47 13.247 -6.855 -4.599 325 HD1 HIS 47 HD1 HIS 47 13.785 -5.729 -6.876 326 HD2 HIS 47 HD2 HIS 47 12.795 -3.061 -3.839 327 HE1 HIS 47 HE1 HIS 47 13.391 -3.519 -8.009 328 HE2 HIS 47 HE2 HIS 47 12.983 -1.886 -6.131 329 H PHE 48 H PHE 48 10.894 -4.075 -2.364 330 HA PHE 48 HA PHE 48 8.560 -5.630 -2.621 331 HB2 PHE 48 HB2 PHE 48 9.068 -2.672 -2.733 332 HB3 PHE 48 HB3 PHE 48 7.458 -3.327 -3.026 333 HD1 PHE 48 HD2 PHE 48 6.648 -5.053 -1.197 334 HD2 PHE 48 HD1 PHE 48 9.620 -2.068 -0.596 335 HE1 PHE 48 HE2 PHE 48 6.238 -5.140 1.225 336 HE2 PHE 48 HE1 PHE 48 9.215 -2.154 1.831 337 HZ PHE 48 HZ PHE 48 7.522 -3.686 2.743 338 H GLN 49 H GLN 49 7.218 -6.075 -4.271 339 HA GLN 49 HA GLN 49 7.904 -5.054 -6.927 340 HB2 GLN 49 HB2 GLN 49 8.899 -7.156 -7.038 341 HB3 GLN 49 HB3 GLN 49 7.679 -7.898 -6.014 342 HG2 GLN 49 HG2 GLN 49 6.105 -7.955 -7.769 343 HG3 GLN 49 HG3 GLN 49 7.091 -6.910 -8.785 344 HE21 GLN 49 HE21 GLN 49 6.688 -10.108 -7.497 345 HE22 GLN 49 HE22 GLN 49 7.800 -10.905 -8.558 346 H TRP 50 H TRP 50 6.191 -4.017 -7.663 347 HA TRP 50 HA TRP 50 3.566 -4.460 -6.654 348 HB2 TRP 50 HB2 TRP 50 4.637 -2.873 -8.989 349 HB3 TRP 50 HB3 TRP 50 2.912 -2.990 -8.661 350 HD1 TRP 50 HD1 TRP 50 5.894 -0.962 -7.772 351 HE1 TRP 50 HE1 TRP 50 5.334 0.660 -5.838 352 HE3 TRP 50 HE3 TRP 50 1.431 -2.976 -6.311 353 HZ2 TRP 50 HZ2 TRP 50 3.267 1.015 -3.954 354 HZ3 TRP 50 HZ3 TRP 50 0.229 -1.940 -4.434 355 HH2 TRP 50 HH2 TRP 50 1.129 0.015 -3.279 356 H GLY 51 H GLY 51 2.383 -6.162 -7.093 357 HA2 GLY 51 HA3 GLY 51 1.094 -7.471 -8.614 358 HA3 GLY 51 HA2 GLY 51 2.328 -7.213 -9.840 359 H GLY 52 H GLY 52 2.829 -8.225 -6.489 360 HA2 GLY 52 HA3 GLY 52 4.016 -10.707 -7.547 361 HA3 GLY 52 HA2 GLY 52 4.534 -9.909 -6.074 362 H GLN 53 H GLN 53 2.258 -9.496 -4.697 363 HA GLN 53 HA GLN 53 0.631 -10.406 -3.413 364 HB2 GLN 53 HB2 GLN 53 -0.639 -11.267 -5.120 365 HB3 GLN 53 HB3 GLN 53 0.634 -12.341 -5.681 366 HG2 GLN 53 HG2 GLN 53 0.241 -13.624 -3.501 367 HG3 GLN 53 HG3 GLN 53 -1.249 -12.691 -3.382 368 HE21 GLN 53 HE21 GLN 53 0.168 -13.748 -6.390 369 HE22 GLN 53 HE22 GLN 53 -1.070 -14.882 -6.804 370 H ASN 54 H ASN 54 0.541 -11.645 -1.569 371 HA ASN 54 HA ASN 54 1.283 -12.875 0.158 372 HB2 ASN 54 HB2 ASN 54 2.442 -14.535 -2.073 373 HB3 ASN 54 HB3 ASN 54 2.599 -14.984 -0.378 374 HD21 ASN 54 HD21 ASN 54 -0.044 -13.832 0.274 375 HD22 ASN 54 HD22 ASN 54 -1.202 -14.978 -0.331 376 H PHE 55 H PHE 55 2.581 -10.606 -0.177 377 HA PHE 55 HA PHE 55 5.462 -11.136 -0.193 378 HB2 PHE 55 HB2 PHE 55 5.807 -8.834 -0.345 379 HB3 PHE 55 HB3 PHE 55 4.302 -9.046 -1.224 380 HD1 PHE 55 HD2 PHE 55 2.135 -8.476 -0.085 381 HD2 PHE 55 HD1 PHE 55 5.929 -7.438 1.541 382 HE1 PHE 55 HE2 PHE 55 1.063 -6.783 1.338 383 HE2 PHE 55 HE1 PHE 55 4.860 -5.745 2.966 384 HZ PHE 55 HZ PHE 55 2.424 -5.416 2.866 385 H THR 56 H THR 56 2.843 -10.573 1.973 386 HA THR 56 HA THR 56 4.369 -9.879 4.261 387 HB THR 56 HB THR 56 2.338 -10.434 5.547 388 HG1 THR 56 HG1 THR 56 1.337 -11.254 2.993 389 HG21 THR 56 HG21 THR 56 1.846 -8.871 3.011 390 HG22 THR 56 HG22 THR 56 2.543 -8.242 4.505 391 HG23 THR 56 HG23 THR 56 0.868 -8.782 4.474 392 H GLU 57 H GLU 57 3.811 -12.895 2.671 393 HA GLU 57 HA GLU 57 4.174 -14.538 4.967 394 HB2 GLU 57 HB2 GLU 57 4.301 -16.385 3.485 395 HB3 GLU 57 HB3 GLU 57 3.118 -15.279 2.803 396 HG2 GLU 57 HG2 GLU 57 4.728 -14.497 1.194 397 HG3 GLU 57 HG3 GLU 57 5.970 -15.516 1.919 398 H THR 58 H THR 58 6.246 -12.664 3.049 399 HA THR 58 HA THR 58 8.586 -13.967 4.267 400 HB THR 58 HB THR 58 9.909 -13.325 2.305 401 HG1 THR 58 HG1 THR 58 7.680 -12.708 0.767 402 HG21 THR 58 HG21 THR 58 9.077 -14.929 0.757 403 HG22 THR 58 HG22 THR 58 7.424 -14.722 1.335 404 HG23 THR 58 HG23 THR 58 8.625 -15.510 2.363 405 H ALA 59 H ALA 59 6.672 -11.494 4.653 406 HA ALA 59 HA ALA 59 8.816 -9.526 5.063 407 HB1 ALA 59 HB1 ALA 59 7.164 -7.775 4.816 408 HB2 ALA 59 HB2 ALA 59 7.133 -8.832 3.403 409 HB3 ALA 59 HB3 ALA 59 5.883 -8.974 4.639 410 H GLU 60 H GLU 60 8.796 -8.300 6.941 411 HA GLU 60 HA GLU 60 7.032 -9.177 9.124 412 HB2 GLU 60 HB2 GLU 60 9.886 -8.617 9.766 413 HB3 GLU 60 HB3 GLU 60 8.758 -9.703 10.558 414 HG2 GLU 60 HG2 GLU 60 8.994 -11.245 8.607 415 HG3 GLU 60 HG3 GLU 60 10.272 -10.179 8.004 416 H ASP 61 H ASP 61 7.313 -7.633 11.030 417 HA ASP 61 HA ASP 61 6.955 -5.487 11.803 418 HB2 ASP 61 HB2 ASP 61 9.569 -5.867 11.510 419 HB3 ASP 61 HB3 ASP 61 9.383 -4.633 10.278 420 H ILE 62 H ILE 62 5.212 -5.654 9.845 421 HA ILE 62 HA ILE 62 5.771 -3.700 7.774 422 HB ILE 62 HB ILE 62 3.112 -5.039 8.155 423 HG12 ILE 62 HG13 ILE 62 5.682 -6.206 7.078 424 HG13 ILE 62 3HG1 ILE 62 4.610 -6.883 8.294 425 HG21 ILE 62 HG21 ILE 62 4.657 -4.055 5.756 426 HG22 ILE 62 HG22 ILE 62 3.104 -4.891 5.683 427 HG23 ILE 62 HG23 ILE 62 3.223 -3.320 6.472 428 HD11 ILE 62 HD11 ILE 62 2.911 -7.253 6.567 429 HD12 ILE 62 HD12 ILE 62 4.033 -6.631 5.357 430 HD13 ILE 62 HD13 ILE 62 4.417 -8.111 6.235 431 H ARG 63 H ARG 63 5.536 -1.644 8.146 432 HA ARG 63 HA ARG 63 3.191 -0.709 9.661 433 HB2 ARG 63 HB2 ARG 63 4.817 1.300 10.200 434 HB3 ARG 63 HB3 ARG 63 4.795 -0.140 11.206 435 HG2 ARG 63 HG2 ARG 63 6.646 -0.495 9.050 436 HG3 ARG 63 HG3 ARG 63 6.988 1.011 9.905 437 HD2 ARG 63 HD2 ARG 63 8.128 -1.068 10.788 438 HD3 ARG 63 HD3 ARG 63 7.246 -0.095 11.966 439 HE ARG 63 HE ARG 63 6.233 -2.600 10.782 440 HH11 ARG 63 HH12 ARG 63 6.517 -0.358 13.449 441 HH12 ARG 63 HH11 ARG 63 5.556 -1.320 14.533 442 HH21 ARG 63 HH22 ARG 63 4.930 -3.856 12.194 443 HH22 ARG 63 HH21 ARG 63 4.632 -3.296 13.812 444 H PHE 64 H PHE 64 1.926 0.521 8.481 445 HA PHE 64 HA PHE 64 2.911 1.549 5.938 446 HB2 PHE 64 HB2 PHE 64 0.858 0.357 5.784 447 HB3 PHE 64 HB3 PHE 64 0.154 1.256 7.120 448 HD1 PHE 64 HD2 PHE 64 1.946 2.406 4.049 449 HD2 PHE 64 HD1 PHE 64 -1.651 2.410 6.320 450 HE1 PHE 64 HE2 PHE 64 0.959 4.025 2.483 451 HE2 PHE 64 HE1 PHE 64 -2.633 4.025 4.754 452 HZ PHE 64 HZ PHE 64 -1.334 4.825 2.827 453 H HIS 65 H HIS 65 3.270 3.579 5.473 454 HA HIS 65 HA HIS 65 2.453 5.640 7.429 455 HB2 HIS 65 HB2 HIS 65 5.027 4.967 6.954 456 HB3 HIS 65 HB3 HIS 65 4.800 6.155 5.674 457 HD1 HIS 65 HD1 HIS 65 5.794 5.898 9.101 458 HD2 HIS 65 HD2 HIS 65 3.726 8.714 6.837 459 HE1 HIS 65 HE1 HIS 65 5.927 8.051 10.400 460 HE2 HIS 65 HE2 HIS 65 4.688 9.751 9.004 461 HA PRO 66 HA PRO 66 0.108 6.446 3.525 462 HB2 PRO 66 HB2 PRO 66 -1.615 8.148 4.877 463 HB3 PRO 66 HB3 PRO 66 -1.874 6.438 4.589 464 HG2 PRO 66 HG2 PRO 66 -0.877 7.806 7.022 465 HG3 PRO 66 HG3 PRO 66 -1.926 6.384 6.877 466 HD2 PRO 66 HD2 PRO 66 0.677 6.176 7.534 467 HD3 PRO 66 HD3 PRO 66 -0.132 4.942 6.544 468 H LYS 67 H LYS 67 1.088 8.713 5.935 469 HA LYS 67 HA LYS 67 1.668 10.640 3.785 470 HB2 LYS 67 HB2 LYS 67 0.622 11.342 6.534 471 HB3 LYS 67 HB3 LYS 67 1.057 12.488 5.274 472 HG2 LYS 67 HG2 LYS 67 -1.095 12.433 4.700 473 HG3 LYS 67 HG3 LYS 67 -0.742 10.850 4.004 474 HD2 LYS 67 HD2 LYS 67 -2.671 10.660 5.425 475 HD3 LYS 67 HD3 LYS 67 -1.315 9.820 6.184 476 HE2 LYS 67 HE2 LYS 67 -0.946 11.637 7.693 477 HE3 LYS 67 HE3 LYS 67 -2.107 12.653 6.841 478 HZ1 LYS 67 HZ1 LYS 67 -3.096 11.797 8.829 479 HZ2 LYS 67 HZ2 LYS 67 -2.709 10.203 8.409 480 HZ3 LYS 67 HZ3 LYS 67 -3.854 11.066 7.497 481 H GLU 68 H GLU 68 3.799 9.831 3.770 482 HA GLU 68 HA GLU 68 5.431 9.846 6.075 483 HB2 GLU 68 HB2 GLU 68 6.094 8.461 4.251 484 HB3 GLU 68 HB3 GLU 68 6.129 9.831 3.147 485 HG2 GLU 68 HG2 GLU 68 8.032 10.757 4.235 486 HG3 GLU 68 HG3 GLU 68 7.944 9.557 5.527 487 H GLY 69 H GLY 69 6.049 11.498 7.183 488 HA2 GLY 69 HA3 GLY 69 6.683 13.597 7.806 489 HA3 GLY 69 HA2 GLY 69 7.677 13.542 6.363 490 H ALA 70 H ALA 70 7.469 15.721 5.989 491 HA ALA 70 HA ALA 70 4.904 16.986 5.724 492 HB1 ALA 70 HB1 ALA 70 6.890 18.248 6.415 493 HB2 ALA 70 HB2 ALA 70 7.634 17.934 4.847 494 HB3 ALA 70 HB3 ALA 70 6.176 18.922 4.950 495 H ALA 71 H ALA 71 6.678 14.899 3.855 496 HA ALA 71 HA ALA 71 6.074 15.896 1.249 497 HB1 ALA 71 HB1 ALA 71 6.897 13.132 2.165 498 HB2 ALA 71 HB2 ALA 71 6.832 13.680 0.486 499 HB3 ALA 71 HB3 ALA 71 7.974 14.417 1.610 500 H GLU 72 H GLU 72 4.519 13.950 3.630 501 HA GLU 72 HA GLU 72 2.522 12.903 3.792 502 HB2 GLU 72 HB2 GLU 72 1.766 14.945 1.697 503 HB3 GLU 72 HB3 GLU 72 0.617 13.958 2.591 504 HG2 GLU 72 HG2 GLU 72 1.328 14.986 4.672 505 HG3 GLU 72 HG3 GLU 72 2.526 15.944 3.801 506 H GLN 73 H GLN 73 4.312 11.543 2.248 507 HA GLN 73 HA GLN 73 2.702 10.626 -0.024 508 HB2 GLN 73 HB2 GLN 73 5.671 10.466 0.443 509 HB3 GLN 73 HB3 GLN 73 4.853 9.565 -0.826 510 HG2 GLN 73 HG2 GLN 73 3.926 11.857 -1.547 511 HG3 GLN 73 HG3 GLN 73 5.224 12.516 -0.554 512 HE21 GLN 73 HE21 GLN 73 4.429 10.696 -3.400 513 HE22 GLN 73 HE22 GLN 73 5.994 10.784 -4.140 514 HA PRO 74 HA PRO 74 1.956 6.944 2.248 515 HB2 PRO 74 HB2 PRO 74 0.710 5.585 0.278 516 HB3 PRO 74 HB3 PRO 74 -0.067 6.920 1.139 517 HG2 PRO 74 HG2 PRO 74 1.277 6.919 -1.540 518 HG3 PRO 74 HG3 PRO 74 -0.240 7.695 -1.049 519 HD2 PRO 74 HD2 PRO 74 2.109 9.050 -1.252 520 HD3 PRO 74 HD3 PRO 74 0.840 9.494 -0.093 521 H ILE 75 H ILE 75 3.739 5.817 2.665 522 HA ILE 75 HA ILE 75 4.710 4.064 0.537 523 HB ILE 75 HB ILE 75 6.981 4.452 0.881 524 HG12 ILE 75 HG13 ILE 75 7.478 6.297 2.837 525 HG13 ILE 75 3HG1 ILE 75 6.159 5.372 3.550 526 HG21 ILE 75 HG21 ILE 75 7.322 6.893 0.673 527 HG22 ILE 75 HG22 ILE 75 6.038 6.266 -0.362 528 HG23 ILE 75 HG23 ILE 75 5.630 7.130 1.121 529 HD11 ILE 75 HD11 ILE 75 7.421 3.313 3.230 530 HD12 ILE 75 HD12 ILE 75 8.740 4.231 2.501 531 HD13 ILE 75 HD13 ILE 75 8.325 4.480 4.197 532 H LEU 76 H LEU 76 5.228 2.051 1.208 533 HA LEU 76 HA LEU 76 4.652 1.465 4.031 534 HB2 LEU 76 HB2 LEU 76 3.018 0.577 2.432 535 HB3 LEU 76 HB3 LEU 76 4.293 -0.251 1.570 536 HG LEU 76 HG LEU 76 2.720 -1.522 3.241 537 HD11 LEU 76 HD11 LEU 76 4.477 -3.172 3.606 538 HD12 LEU 76 HD12 LEU 76 4.540 -2.535 1.962 539 HD13 LEU 76 HD13 LEU 76 5.699 -1.978 3.169 540 HD21 LEU 76 HD21 LEU 76 3.207 -0.059 5.143 541 HD22 LEU 76 HD22 LEU 76 3.650 -1.736 5.458 542 HD23 LEU 76 HD23 LEU 76 4.900 -0.556 5.074 543 H ARG 77 H ARG 77 6.272 0.712 5.215 544 HA ARG 77 HA ARG 77 8.525 -0.548 3.809 545 HB2 ARG 77 HB2 ARG 77 10.112 0.454 5.233 546 HB3 ARG 77 HB3 ARG 77 9.026 1.752 4.776 547 HG2 ARG 77 HG2 ARG 77 8.712 0.250 7.349 548 HG3 ARG 77 HG3 ARG 77 9.783 1.640 7.194 549 HD2 ARG 77 HD2 ARG 77 6.829 1.623 6.619 550 HD3 ARG 77 HD3 ARG 77 7.577 2.247 8.089 551 HE ARG 77 HE ARG 77 7.419 3.544 5.530 552 HH11 ARG 77 HH12 ARG 77 9.272 3.332 8.495 553 HH12 ARG 77 HH11 ARG 77 9.919 4.941 8.351 554 HH21 ARG 77 HH22 ARG 77 8.249 5.692 5.364 555 HH22 ARG 77 HH21 ARG 77 9.309 6.289 6.602 556 H ALA 78 H ALA 78 9.388 -2.351 4.686 557 HA ALA 78 HA ALA 78 8.625 -3.370 7.260 558 HB1 ALA 78 HB1 ALA 78 7.441 -5.334 6.496 559 HB2 ALA 78 HB2 ALA 78 6.614 -3.889 5.916 560 HB3 ALA 78 HB3 ALA 78 7.623 -4.827 4.816 561 H ARG 79 H ARG 79 9.514 -5.692 7.494 562 HA ARG 79 HA ARG 79 12.204 -5.695 6.392 563 HB2 ARG 79 HB2 ARG 79 11.133 -7.906 8.112 564 HB3 ARG 79 HB3 ARG 79 12.769 -7.280 8.014 565 HG2 ARG 79 HG2 ARG 79 10.412 -6.062 9.426 566 HG3 ARG 79 HG3 ARG 79 11.898 -6.690 10.134 567 HD2 ARG 79 HD2 ARG 79 13.156 -4.896 8.987 568 HD3 ARG 79 HD3 ARG 79 11.623 -4.268 8.382 569 HE ARG 79 HE ARG 79 10.991 -3.863 10.718 570 HH11 ARG 79 HH12 ARG 79 14.409 -4.244 9.977 571 HH12 ARG 79 HH11 ARG 79 14.924 -3.305 11.349 572 HH21 ARG 79 HH22 ARG 79 11.669 -2.642 12.484 573 HH22 ARG 79 HH21 ARG 79 13.364 -2.403 12.783 574 H LEU 80 H LEU 80 12.559 -6.618 4.488 575 HA LEU 80 HA LEU 80 10.733 -8.709 3.561 576 HB2 LEU 80 HB2 LEU 80 12.369 -6.619 2.271 577 HB3 LEU 80 HB3 LEU 80 12.243 -8.138 1.405 578 HG LEU 80 HG LEU 80 9.909 -7.938 1.180 579 HD11 LEU 80 HD11 LEU 80 9.992 -5.630 3.090 580 HD12 LEU 80 HD12 LEU 80 8.568 -6.212 2.225 581 HD13 LEU 80 HD13 LEU 80 9.353 -7.244 3.420 582 HD21 LEU 80 HD21 LEU 80 11.197 -5.264 0.771 583 HD22 LEU 80 HD22 LEU 80 11.067 -6.585 -0.392 584 HD23 LEU 80 HD23 LEU 80 9.619 -5.720 0.126 585 H ARG 81 H ARG 81 11.319 -10.726 3.463 586 HA ARG 81 HA ARG 81 13.928 -11.559 4.270 587 HB2 ARG 81 HB2 ARG 81 12.080 -12.888 4.971 588 HB3 ARG 81 HB3 ARG 81 11.481 -13.051 3.329 589 HG2 ARG 81 HG2 ARG 81 14.186 -14.119 3.844 590 HG3 ARG 81 HG3 ARG 81 12.847 -14.973 4.605 591 HD2 ARG 81 HD2 ARG 81 11.747 -14.934 2.292 592 HD3 ARG 81 HD3 ARG 81 13.335 -14.453 1.699 593 HE ARG 81 HE ARG 81 14.160 -16.589 2.666 594 HH11 ARG 81 HH12 ARG 81 10.795 -16.232 1.761 595 HH12 ARG 81 HH11 ARG 81 10.564 -17.921 1.432 596 HH21 ARG 81 HH22 ARG 81 13.878 -18.809 2.202 597 HH22 ARG 81 HH21 ARG 81 12.320 -19.384 1.667 598 H ASP 82 H ASP 82 15.559 -12.425 3.135 599 HA ASP 82 HA ASP 82 15.466 -12.101 0.220 600 HB2 ASP 82 HB2 ASP 82 17.844 -12.570 2.030 601 HB3 ASP 82 HB3 ASP 82 17.912 -12.298 0.295 602 H CYS 83 H CYS 83 16.870 -13.804 -0.987 603 HA CYS 83 HA CYS 83 15.648 -16.307 -0.686 604 HB2 CYS 83 HB2 CYS 83 18.149 -15.512 -2.167 605 HB3 CYS 83 HB3 CYS 83 17.424 -17.113 -2.278 606 HG CYS 83 HG CYS 83 14.886 -15.770 -3.054 607 H ASN 84 H ASN 84 18.457 -14.998 0.860 608 HA ASN 84 HA ASN 84 19.642 -17.479 1.608 609 HB2 ASN 84 HB2 ASN 84 20.879 -15.316 1.587 610 HB3 ASN 84 HB3 ASN 84 19.914 -14.781 2.959 611 HD21 ASN 84 HD21 ASN 84 22.453 -16.884 1.882 612 HD22 ASN 84 HD22 ASN 84 23.033 -17.323 3.455 613 H GLY 85 H GLY 85 17.045 -15.557 2.817 614 HA2 GLY 85 HA3 GLY 85 15.347 -16.453 4.208 615 HA3 GLY 85 HA2 GLY 85 16.529 -17.566 4.893 616 H GLU 86 H GLU 86 16.774 -14.100 4.414 617 HA GLU 86 HA GLU 86 16.951 -13.733 7.326 618 HB2 GLU 86 HB2 GLU 86 18.687 -12.073 6.970 619 HB3 GLU 86 HB3 GLU 86 19.160 -13.594 6.227 620 HG2 GLU 86 HG2 GLU 86 18.486 -12.732 4.040 621 HG3 GLU 86 HG3 GLU 86 18.053 -11.198 4.791 622 H PHE 87 H PHE 87 17.117 -10.905 7.229 623 HA PHE 87 HA PHE 87 14.684 -10.126 5.790 624 HB2 PHE 87 HB2 PHE 87 13.713 -9.068 7.721 625 HB3 PHE 87 HB3 PHE 87 14.066 -10.737 8.140 626 HD1 PHE 87 HD2 PHE 87 16.413 -11.108 9.297 627 HD2 PHE 87 HD1 PHE 87 14.319 -7.406 9.181 628 HE1 PHE 87 HE2 PHE 87 17.670 -10.339 11.266 629 HE2 PHE 87 HE1 PHE 87 15.577 -6.629 11.146 630 HZ PHE 87 HZ PHE 87 17.252 -8.097 12.192 631 H HIS 88 H HIS 88 14.584 -8.174 5.064 632 HA HIS 88 HA HIS 88 16.669 -6.229 5.743 633 HB2 HIS 88 HB2 HIS 88 16.176 -7.560 3.141 634 HB3 HIS 88 HB3 HIS 88 16.468 -5.837 3.094 635 HD1 HIS 88 HD1 HIS 88 18.189 -8.961 2.989 636 HD2 HIS 88 HD2 HIS 88 19.024 -5.185 4.529 637 HE1 HIS 88 HE1 HIS 88 20.692 -8.875 3.276 638 HE2 HIS 88 HE2 HIS 88 21.134 -6.681 4.438 639 H ASP 89 H ASP 89 15.482 -4.548 6.494 640 HA ASP 89 HA ASP 89 12.786 -4.118 5.808 641 HB2 ASP 89 HB2 ASP 89 12.981 -1.958 6.962 642 HB3 ASP 89 HB3 ASP 89 13.673 -3.269 7.906 643 H ARG 90 H ARG 90 12.008 -3.550 3.940 644 HA ARG 90 HA ARG 90 13.516 -1.606 2.305 645 HB2 ARG 90 HB2 ARG 90 11.541 -3.730 1.442 646 HB3 ARG 90 HB3 ARG 90 12.310 -2.568 0.370 647 HG2 ARG 90 HG2 ARG 90 13.699 -4.701 1.968 648 HG3 ARG 90 HG3 ARG 90 13.401 -4.716 0.229 649 HD2 ARG 90 HD2 ARG 90 14.789 -2.720 -0.024 650 HD3 ARG 90 HD3 ARG 90 15.085 -2.705 1.715 651 HE ARG 90 HE ARG 90 15.824 -5.126 0.290 652 HH11 ARG 90 HH12 ARG 90 16.845 -2.064 1.637 653 HH12 ARG 90 HH11 ARG 90 18.515 -2.524 1.736 654 HH21 ARG 90 HH22 ARG 90 18.014 -5.738 0.404 655 HH22 ARG 90 HH21 ARG 90 19.191 -4.607 1.026 656 H ASP 91 H ASP 91 11.763 -0.594 0.654 657 HA ASP 91 HA ASP 91 9.329 0.116 2.068 658 HB2 ASP 91 HB2 ASP 91 9.751 2.544 1.765 659 HB3 ASP 91 HB3 ASP 91 10.883 1.801 2.885 660 H VAL 92 H VAL 92 7.739 0.919 0.697 661 HA VAL 92 HA VAL 92 8.429 1.003 -2.145 662 HB VAL 92 HB VAL 92 7.552 -1.243 -1.642 663 HG11 VAL 92 HG11 VAL 92 6.050 -0.731 0.184 664 HG12 VAL 92 HG12 VAL 92 5.014 0.192 -0.906 665 HG13 VAL 92 HG13 VAL 92 5.183 -1.550 -1.116 666 HG21 VAL 92 HG21 VAL 92 7.315 -0.331 -3.843 667 HG22 VAL 92 HG22 VAL 92 5.903 -1.310 -3.436 668 HG23 VAL 92 HG23 VAL 92 5.800 0.451 -3.386 669 H ASN 93 H ASN 93 7.226 2.329 -3.374 670 HA ASN 93 HA ASN 93 5.871 4.454 -1.948 671 HB2 ASN 93 HB2 ASN 93 6.898 4.065 -4.736 672 HB3 ASN 93 HB3 ASN 93 5.746 5.349 -4.410 673 HD21 ASN 93 HD21 ASN 93 7.353 6.885 -4.972 674 HD22 ASN 93 HD22 ASN 93 8.624 7.280 -3.867 675 H LEU 94 H LEU 94 3.818 4.083 -1.411 676 HA LEU 94 HA LEU 94 2.103 2.392 -2.969 677 HB2 LEU 94 HB2 LEU 94 1.471 4.179 -0.622 678 HB3 LEU 94 HB3 LEU 94 0.347 3.047 -1.347 679 HG LEU 94 HG LEU 94 2.665 2.548 0.446 680 HD11 LEU 94 HD11 LEU 94 0.408 2.529 1.316 681 HD12 LEU 94 HD12 LEU 94 -0.055 1.303 0.135 682 HD13 LEU 94 HD13 LEU 94 1.116 0.915 1.395 683 HD21 LEU 94 HD21 LEU 94 3.286 1.269 -1.538 684 HD22 LEU 94 HD22 LEU 94 2.779 0.197 -0.231 685 HD23 LEU 94 HD23 LEU 94 1.685 0.529 -1.575 686 H ASN 95 H ASN 95 3.136 5.406 -3.554 687 HA ASN 95 HA ASN 95 0.843 6.871 -4.245 688 HB2 ASN 95 HB2 ASN 95 3.513 6.974 -5.672 689 HB3 ASN 95 HB3 ASN 95 2.285 8.234 -5.647 690 HD21 ASN 95 HD21 ASN 95 4.828 6.687 -3.931 691 HD22 ASN 95 HD22 ASN 95 4.946 7.814 -2.641 692 H ARG 96 H ARG 96 2.246 4.106 -5.607 693 HA ARG 96 HA ARG 96 1.475 4.351 -8.312 694 HB2 ARG 96 HB2 ARG 96 2.160 2.056 -6.507 695 HB3 ARG 96 HB3 ARG 96 1.498 1.735 -8.099 696 HG2 ARG 96 HG2 ARG 96 3.968 1.626 -7.982 697 HG3 ARG 96 HG3 ARG 96 3.355 2.770 -9.170 698 HD2 ARG 96 HD2 ARG 96 4.103 3.696 -6.412 699 HD3 ARG 96 HD3 ARG 96 5.342 3.448 -7.649 700 HE ARG 96 HE ARG 96 3.042 5.233 -8.082 701 HH11 ARG 96 HH12 ARG 96 6.503 4.652 -8.084 702 HH12 ARG 96 HH11 ARG 96 6.876 6.167 -8.840 703 HH21 ARG 96 HH22 ARG 96 3.531 7.221 -9.067 704 HH22 ARG 96 HH21 ARG 96 5.196 7.631 -9.401 705 H ILE 97 H ILE 97 -0.262 3.726 -5.423 706 HA ILE 97 HA ILE 97 -2.522 2.467 -6.730 707 HB ILE 97 HB ILE 97 -2.260 3.459 -3.889 708 HG12 ILE 97 HG13 ILE 97 -2.018 0.580 -4.667 709 HG13 ILE 97 3HG1 ILE 97 -0.624 1.631 -4.895 710 HG21 ILE 97 HG21 ILE 97 -4.072 1.868 -3.435 711 HG22 ILE 97 HG22 ILE 97 -4.562 3.109 -4.590 712 HG23 ILE 97 HG23 ILE 97 -4.161 1.486 -5.155 713 HD11 ILE 97 HD11 ILE 97 -0.632 2.199 -2.555 714 HD12 ILE 97 HD12 ILE 97 -2.077 1.217 -2.298 715 HD13 ILE 97 HD13 ILE 97 -0.558 0.448 -2.765 716 H GLN 98 H GLN 98 -4.167 3.539 -7.585 717 HA GLN 98 HA GLN 98 -4.603 6.326 -6.730 718 HB2 GLN 98 HB2 GLN 98 -3.783 5.874 -9.146 719 HB3 GLN 98 HB3 GLN 98 -5.410 5.267 -9.429 720 HG2 GLN 98 HG2 GLN 98 -6.352 7.405 -8.814 721 HG3 GLN 98 HG3 GLN 98 -4.749 8.025 -8.424 722 HE21 GLN 98 HE21 GLN 98 -4.800 9.673 -9.886 723 HE22 GLN 98 HE22 GLN 98 -4.753 9.422 -11.604 724 H ASN 99 H ASN 99 -6.875 7.023 -6.905 725 HA ASN 99 HA ASN 99 -8.655 4.840 -6.084 726 HB2 ASN 99 HB2 ASN 99 -8.447 6.545 -4.402 727 HB3 ASN 99 HB3 ASN 99 -8.725 7.825 -5.579 728 HD21 ASN 99 HD21 ASN 99 -10.799 8.239 -6.286 729 HD22 ASN 99 HD22 ASN 99 -12.187 7.625 -5.470 730 H VAL 100 H VAL 100 -10.069 4.163 -7.536 731 HA VAL 100 HA VAL 100 -10.940 6.031 -9.643 732 HB VAL 100 HB VAL 100 -10.990 3.006 -9.742 733 HG11 VAL 100 HG11 VAL 100 -11.435 3.318 -12.126 734 HG12 VAL 100 HG12 VAL 100 -12.688 4.066 -11.134 735 HG13 VAL 100 HG13 VAL 100 -11.450 5.067 -11.896 736 HG21 VAL 100 HG21 VAL 100 -8.692 3.834 -9.707 737 HG22 VAL 100 HG22 VAL 100 -9.110 3.169 -11.287 738 HG23 VAL 100 HG23 VAL 100 -9.057 4.916 -11.051 739 H ASN 101 H ASN 101 -12.703 6.929 -8.704 740 HA ASN 101 HA ASN 101 -14.864 7.163 -8.059 741 HB2 ASN 101 HB2 ASN 101 -15.102 5.626 -10.129 742 HB3 ASN 101 HB3 ASN 101 -15.428 4.352 -8.959 743 HD21 ASN 101 HD21 ASN 101 -16.564 7.301 -10.385 744 HD22 ASN 101 HD22 ASN 101 -18.199 7.207 -9.797 745 H GLY 102 H GLY 102 -12.824 5.740 -6.307 746 HA2 GLY 102 HA3 GLY 102 -13.295 5.552 -3.937 747 HA3 GLY 102 HA2 GLY 102 -14.817 4.789 -4.360 748 H ARG 103 H ARG 103 -12.089 3.778 -6.177 749 HA ARG 103 HA ARG 103 -11.795 1.416 -4.446 750 HB2 ARG 103 HB2 ARG 103 -11.826 -0.055 -6.265 751 HB3 ARG 103 HB3 ARG 103 -13.112 1.083 -6.639 752 HG2 ARG 103 HG2 ARG 103 -11.489 2.313 -8.085 753 HG3 ARG 103 HG3 ARG 103 -10.347 0.997 -7.813 754 HD2 ARG 103 HD2 ARG 103 -11.455 0.591 -9.887 755 HD3 ARG 103 HD3 ARG 103 -12.062 -0.574 -8.710 756 HE ARG 103 HE ARG 103 -13.958 1.165 -8.466 757 HH11 ARG 103 HH12 ARG 103 -12.290 0.354 -11.446 758 HH12 ARG 103 HH11 ARG 103 -13.641 0.777 -12.463 759 HH21 ARG 103 HH22 ARG 103 -15.738 1.676 -9.784 760 HH22 ARG 103 HH21 ARG 103 -15.598 1.553 -11.520 761 H LEU 104 H LEU 104 -9.719 0.450 -4.427 762 HA LEU 104 HA LEU 104 -7.587 2.332 -5.080 763 HB2 LEU 104 HB2 LEU 104 -7.633 -0.096 -3.285 764 HB3 LEU 104 HB3 LEU 104 -6.210 0.884 -3.585 765 HG LEU 104 HG LEU 104 -8.748 1.787 -2.227 766 HD11 LEU 104 HD11 LEU 104 -7.342 0.341 -0.853 767 HD12 LEU 104 HD12 LEU 104 -5.957 1.390 -1.161 768 HD13 LEU 104 HD13 LEU 104 -7.343 2.000 -0.255 769 HD21 LEU 104 HD21 LEU 104 -6.220 3.317 -2.828 770 HD22 LEU 104 HD22 LEU 104 -7.809 3.598 -3.542 771 HD23 LEU 104 HD23 LEU 104 -7.550 3.886 -1.822 772 H VAL 105 H VAL 105 -6.457 2.033 -6.866 773 HA VAL 105 HA VAL 105 -6.112 -0.719 -7.861 774 HB VAL 105 HB VAL 105 -7.537 0.546 -9.385 775 HG11 VAL 105 HG11 VAL 105 -6.702 2.499 -10.601 776 HG12 VAL 105 HG12 VAL 105 -6.808 2.806 -8.868 777 HG13 VAL 105 HG13 VAL 105 -5.241 2.485 -9.615 778 HG21 VAL 105 HG21 VAL 105 -4.769 0.100 -10.492 779 HG22 VAL 105 HG22 VAL 105 -6.045 -1.108 -10.343 780 HG23 VAL 105 HG23 VAL 105 -6.243 0.251 -11.447 781 H PHE 106 H PHE 106 -4.092 -1.419 -7.980 782 HA PHE 106 HA PHE 106 -1.933 0.400 -7.291 783 HB2 PHE 106 HB2 PHE 106 -0.657 -1.494 -6.779 784 HB3 PHE 106 HB3 PHE 106 -2.292 -1.994 -6.360 785 HD1 PHE 106 HD1 PHE 106 -3.603 -3.169 -8.362 786 HD2 PHE 106 HD2 PHE 106 0.631 -2.929 -8.013 787 HE1 PHE 106 HE1 PHE 106 -3.369 -5.106 -9.863 788 HE2 PHE 106 HE2 PHE 106 0.871 -4.866 -9.508 789 HZ PHE 106 HZ PHE 106 -1.132 -5.954 -10.436 790 H GLN 107 H GLN 107 -0.175 0.882 -8.548 791 HA GLN 107 HA GLN 107 1.020 1.349 -10.407 792 HB2 GLN 107 HB2 GLN 107 1.453 -1.097 -10.231 793 HB3 GLN 107 HB3 GLN 107 0.125 -1.376 -11.346 794 HG2 GLN 107 HG2 GLN 107 1.303 -0.097 -13.066 795 HG3 GLN 107 HG3 GLN 107 2.638 0.167 -11.947 796 HE21 GLN 107 HE21 GLN 107 2.409 -2.537 -10.828 797 HE22 GLN 107 HE22 GLN 107 3.081 -3.597 -12.014 Start of MODEL 4 1 H MET 1 H MET 1 -1.604 11.397 -10.791 2 HA MET 1 HA MET 1 -1.493 12.347 -8.605 3 HB2 MET 1 HB2 MET 1 -3.659 13.770 -9.259 4 HB3 MET 1 HB3 MET 1 -4.470 12.440 -8.440 5 HG2 MET 1 HG2 MET 1 -4.023 14.340 -6.958 6 HG3 MET 1 HG3 MET 1 -3.240 12.855 -6.425 7 HE1 MET 1 HE1 MET 1 -1.680 14.223 -4.783 8 HE2 MET 1 HE2 MET 1 -0.692 15.596 -5.283 9 HE3 MET 1 HE3 MET 1 -2.452 15.727 -5.288 10 H SER 2 H SER 2 -2.708 11.182 -6.583 11 HA SER 2 HA SER 2 -3.302 8.439 -7.445 12 HB2 SER 2 HB2 SER 2 -1.613 9.158 -5.045 13 HB3 SER 2 HB3 SER 2 -1.901 7.549 -5.710 14 HG SER 2 HG SER 2 -0.429 7.877 -7.166 15 H TYR 3 H TYR 3 -3.965 7.202 -5.210 16 HA TYR 3 HA TYR 3 -6.460 8.312 -4.500 17 HB2 TYR 3 HB2 TYR 3 -6.773 6.419 -3.146 18 HB3 TYR 3 HB3 TYR 3 -5.674 5.838 -4.391 19 HD1 TYR 3 HD1 TYR 3 -3.089 6.040 -3.741 20 HD2 TYR 3 HD2 TYR 3 -6.298 5.946 -0.948 21 HE1 TYR 3 HE1 TYR 3 -1.533 5.323 -1.984 22 HE2 TYR 3 HE2 TYR 3 -4.747 5.226 0.817 23 HH TYR 3 HH TYR 3 -1.337 5.287 0.398 24 H ALA 4 H ALA 4 -3.279 8.521 -3.146 25 HA ALA 4 HA ALA 4 -3.753 9.368 -0.566 26 HB1 ALA 4 HB1 ALA 4 -1.553 8.769 -1.478 27 HB2 ALA 4 HB2 ALA 4 -1.521 10.296 -2.358 28 HB3 ALA 4 HB3 ALA 4 -1.529 10.293 -0.593 29 H ASP 5 H ASP 5 -4.036 11.204 -3.525 30 HA ASP 5 HA ASP 5 -3.901 13.808 -2.528 31 HB2 ASP 5 HB2 ASP 5 -3.962 13.494 -4.886 32 HB3 ASP 5 HB3 ASP 5 -5.487 12.618 -4.800 33 H SER 6 H SER 6 -6.458 11.455 -2.396 34 HA SER 6 HA SER 6 -7.982 13.292 -0.684 35 HB2 SER 6 HB2 SER 6 -9.150 11.657 -2.948 36 HB3 SER 6 HB3 SER 6 -10.087 12.579 -1.774 37 HG SER 6 HG SER 6 -8.082 13.812 -3.365 38 H SER 7 H SER 7 -6.312 11.209 0.193 39 HA SER 7 HA SER 7 -8.279 9.185 1.047 40 HB2 SER 7 HB2 SER 7 -6.423 7.623 1.320 41 HB3 SER 7 HB3 SER 7 -6.445 8.260 -0.326 42 HG SER 7 HG SER 7 -4.951 9.835 1.269 43 H ARG 8 H ARG 8 -8.377 8.585 3.164 44 HA ARG 8 HA ARG 8 -6.627 9.852 5.117 45 HB2 ARG 8 HB2 ARG 8 -8.215 11.130 6.162 46 HB3 ARG 8 HB3 ARG 8 -8.863 11.202 4.530 47 HG2 ARG 8 HG2 ARG 8 -10.032 8.934 5.540 48 HG3 ARG 8 HG3 ARG 8 -9.981 10.009 6.940 49 HD2 ARG 8 HD2 ARG 8 -12.003 10.561 5.973 50 HD3 ARG 8 HD3 ARG 8 -10.922 11.775 5.287 51 HE ARG 8 HE ARG 8 -10.860 10.438 3.251 52 HH11 ARG 8 HH12 ARG 8 -13.364 9.686 5.583 53 HH12 ARG 8 HH11 ARG 8 -14.393 8.899 4.425 54 HH21 ARG 8 HH22 ARG 8 -12.219 9.410 1.720 55 HH22 ARG 8 HH21 ARG 8 -13.739 8.749 2.232 56 H ASN 9 H ASN 9 -7.122 8.951 7.333 57 HA ASN 9 HA ASN 9 -7.203 7.147 8.714 58 HB2 ASN 9 HB2 ASN 9 -9.737 7.485 7.561 59 HB3 ASN 9 HB3 ASN 9 -9.431 5.754 7.505 60 HD21 ASN 9 HD21 ASN 9 -9.875 8.521 9.549 61 HD22 ASN 9 HD22 ASN 9 -10.112 7.648 11.021 62 H ALA 10 H ALA 10 -5.609 6.891 6.303 63 HA ALA 10 HA ALA 10 -5.926 4.217 5.321 64 HB1 ALA 10 HB1 ALA 10 -3.552 6.030 4.985 65 HB2 ALA 10 HB2 ALA 10 -4.005 4.655 3.980 66 HB3 ALA 10 HB3 ALA 10 -4.999 6.111 3.983 67 H VAL 11 H VAL 11 -5.405 2.488 6.430 68 HA VAL 11 HA VAL 11 -2.961 2.459 8.057 69 HB VAL 11 HB VAL 11 -5.607 1.415 9.104 70 HG11 VAL 11 HG11 VAL 11 -3.712 0.180 9.948 71 HG12 VAL 11 HG12 VAL 11 -2.909 1.680 10.417 72 HG13 VAL 11 HG13 VAL 11 -4.393 1.182 11.230 73 HG21 VAL 11 HG21 VAL 11 -5.651 3.855 9.066 74 HG22 VAL 11 HG22 VAL 11 -5.568 3.247 10.719 75 HG23 VAL 11 HG23 VAL 11 -4.124 3.901 9.946 76 H LEU 12 H LEU 12 -2.059 0.356 8.304 77 HA LEU 12 HA LEU 12 -2.932 -1.518 6.261 78 HB2 LEU 12 HB2 LEU 12 -0.448 -0.851 7.418 79 HB3 LEU 12 HB3 LEU 12 -0.781 -2.505 7.887 80 HG LEU 12 HG LEU 12 -0.944 -3.210 5.607 81 HD11 LEU 12 HD11 LEU 12 -0.644 -1.644 3.740 82 HD12 LEU 12 HD12 LEU 12 -2.098 -1.291 4.674 83 HD13 LEU 12 HD13 LEU 12 -0.654 -0.299 4.881 84 HD21 LEU 12 HD21 LEU 12 1.304 -2.628 4.779 85 HD22 LEU 12 HD22 LEU 12 1.410 -1.372 6.013 86 HD23 LEU 12 HD23 LEU 12 1.304 -3.069 6.487 87 H THR 13 H THR 13 -3.876 -3.403 6.623 88 HA THR 13 HA THR 13 -4.455 -4.187 9.399 89 HB THR 13 HB THR 13 -6.313 -4.533 7.036 90 HG1 THR 13 HG1 THR 13 -5.684 -2.270 8.285 91 HG21 THR 13 HG21 THR 13 -6.819 -4.619 10.020 92 HG22 THR 13 HG22 THR 13 -6.719 -6.022 8.954 93 HG23 THR 13 HG23 THR 13 -8.027 -4.853 8.755 94 H ASN 14 H ASN 14 -5.042 -6.503 9.590 95 HA ASN 14 HA ASN 14 -4.777 -8.735 9.239 96 HB2 ASN 14 HB2 ASN 14 -5.187 -7.761 6.682 97 HB3 ASN 14 HB3 ASN 14 -3.689 -8.673 6.533 98 HD21 ASN 14 HD21 ASN 14 -3.699 -10.906 7.069 99 HD22 ASN 14 HD22 ASN 14 -5.168 -11.819 7.005 100 H GLY 15 H GLY 15 -2.485 -6.585 9.528 101 HA2 GLY 15 HA3 GLY 15 -0.369 -7.032 10.492 102 HA3 GLY 15 HA2 GLY 15 -0.363 -8.599 9.693 103 H GLY 16 H GLY 16 -1.337 -5.852 7.892 104 HA2 GLY 16 HA3 GLY 16 -0.011 -4.437 6.518 105 HA3 GLY 16 HA2 GLY 16 1.329 -5.559 6.708 106 H ARG 17 H ARG 17 -1.656 -7.046 6.141 107 HA ARG 17 HA ARG 17 -0.785 -7.737 3.443 108 HB2 ARG 17 HB2 ARG 17 -3.079 -9.044 4.871 109 HB3 ARG 17 HB3 ARG 17 -2.039 -9.705 3.617 110 HG2 ARG 17 HG2 ARG 17 -0.170 -9.583 5.345 111 HG3 ARG 17 HG3 ARG 17 -1.442 -9.311 6.524 112 HD2 ARG 17 HD2 ARG 17 -0.764 -11.692 6.338 113 HD3 ARG 17 HD3 ARG 17 -2.472 -11.409 6.015 114 HE ARG 17 HE ARG 17 -1.076 -11.366 3.579 115 HH11 ARG 17 HH12 ARG 17 -1.891 -13.654 6.112 116 HH12 ARG 17 HH11 ARG 17 -2.010 -15.004 5.016 117 HH21 ARG 17 HH22 ARG 17 -1.330 -13.130 2.130 118 HH22 ARG 17 HH21 ARG 17 -1.717 -14.702 2.769 119 H THR 18 H THR 18 -3.102 -5.837 5.077 120 HA THR 18 HA THR 18 -4.571 -5.497 2.551 121 HB THR 18 HB THR 18 -5.832 -5.450 5.297 122 HG1 THR 18 HG1 THR 18 -6.101 -7.440 3.257 123 HG21 THR 18 HG21 THR 18 -7.038 -5.358 2.526 124 HG22 THR 18 HG22 THR 18 -6.968 -4.022 3.676 125 HG23 THR 18 HG23 THR 18 -7.949 -5.446 4.033 126 H LEU 19 H LEU 19 -4.525 -3.474 1.862 127 HA LEU 19 HA LEU 19 -3.815 -1.320 3.695 128 HB2 LEU 19 HB2 LEU 19 -2.539 -1.429 1.654 129 HB3 LEU 19 HB3 LEU 19 -4.001 -1.479 0.689 130 HG LEU 19 HG LEU 19 -4.527 0.830 1.417 131 HD11 LEU 19 HD11 LEU 19 -2.784 2.158 2.502 132 HD12 LEU 19 HD12 LEU 19 -3.338 0.841 3.536 133 HD13 LEU 19 HD13 LEU 19 -1.796 0.708 2.687 134 HD21 LEU 19 HD21 LEU 19 -2.812 1.908 0.046 135 HD22 LEU 19 HD22 LEU 19 -1.830 0.445 0.132 136 HD23 LEU 19 HD23 LEU 19 -3.390 0.411 -0.688 137 H ARG 20 H ARG 20 -5.554 -0.552 4.738 138 HA ARG 20 HA ARG 20 -8.055 -0.193 3.236 139 HB2 ARG 20 HB2 ARG 20 -7.852 -1.464 5.507 140 HB3 ARG 20 HB3 ARG 20 -7.729 0.137 6.214 141 HG2 ARG 20 HG2 ARG 20 -10.043 -0.821 4.541 142 HG3 ARG 20 HG3 ARG 20 -10.001 -0.828 6.301 143 HD2 ARG 20 HD2 ARG 20 -9.888 1.573 4.483 144 HD3 ARG 20 HD3 ARG 20 -11.215 1.104 5.543 145 HE ARG 20 HE ARG 20 -8.584 2.060 6.468 146 HH11 ARG 20 HH12 ARG 20 -12.019 1.627 6.933 147 HH12 ARG 20 HH11 ARG 20 -12.080 2.591 8.378 148 HH21 ARG 20 HH22 ARG 20 -8.655 3.338 8.358 149 HH22 ARG 20 HH21 ARG 20 -10.164 3.563 9.184 150 H ALA 21 H ALA 21 -8.585 1.794 2.595 151 HA ALA 21 HA ALA 21 -7.699 4.115 4.130 152 HB1 ALA 21 HB1 ALA 21 -7.053 3.805 1.201 153 HB2 ALA 21 HB2 ALA 21 -6.746 5.231 2.191 154 HB3 ALA 21 HB3 ALA 21 -5.888 3.726 2.523 155 H GLU 22 H GLU 22 -8.988 5.906 3.876 156 HA GLU 22 HA GLU 22 -11.475 5.424 2.401 157 HB2 GLU 22 HB2 GLU 22 -10.953 7.643 4.362 158 HB3 GLU 22 HB3 GLU 22 -12.503 7.041 3.796 159 HG2 GLU 22 HG2 GLU 22 -11.743 4.828 4.922 160 HG3 GLU 22 HG3 GLU 22 -10.631 5.888 5.796 161 H CYS 23 H CYS 23 -11.535 6.270 0.427 162 HA CYS 23 HA CYS 23 -10.314 8.914 0.014 163 HB2 CYS 23 HB2 CYS 23 -8.955 7.028 -0.952 164 HB3 CYS 23 HB3 CYS 23 -10.309 6.679 -2.019 165 HG CYS 23 HG CYS 23 -7.934 8.988 -2.284 166 H ARG 24 H ARG 24 -11.424 10.305 -1.312 167 HA ARG 24 HA ARG 24 -14.235 9.872 -1.544 168 HB2 ARG 24 HB2 ARG 24 -14.248 12.109 -1.529 169 HB3 ARG 24 HB3 ARG 24 -12.493 12.105 -1.547 170 HG2 ARG 24 HG2 ARG 24 -14.078 11.914 -4.086 171 HG3 ARG 24 HG3 ARG 24 -13.729 13.468 -3.325 172 HD2 ARG 24 HD2 ARG 24 -11.537 13.392 -3.871 173 HD3 ARG 24 HD3 ARG 24 -11.436 11.644 -3.654 174 HE ARG 24 HE ARG 24 -12.870 11.768 -5.885 175 HH11 ARG 24 HH12 ARG 24 -9.994 13.535 -4.928 176 HH12 ARG 24 HH11 ARG 24 -9.389 13.703 -6.550 177 HH21 ARG 24 HH22 ARG 24 -12.053 11.963 -8.040 178 HH22 ARG 24 HH21 ARG 24 -10.547 12.789 -8.311 179 H ASN 25 H ASN 25 -15.466 9.589 -3.404 180 HA ASN 25 HA ASN 25 -14.063 8.265 -5.567 181 HB2 ASN 25 HB2 ASN 25 -16.349 7.764 -6.416 182 HB3 ASN 25 HB3 ASN 25 -16.051 7.209 -4.778 183 HD21 ASN 25 HD21 ASN 25 -18.311 7.115 -4.459 184 HD22 ASN 25 HD22 ASN 25 -19.227 8.547 -4.152 185 H ALA 26 H ALA 26 -15.538 8.752 -7.790 186 HA ALA 26 HA ALA 26 -14.432 11.163 -8.751 187 HB1 ALA 26 HB1 ALA 26 -15.646 10.677 -10.809 188 HB2 ALA 26 HB2 ALA 26 -14.856 9.227 -10.188 189 HB3 ALA 26 HB3 ALA 26 -16.592 9.447 -9.970 190 H ASP 27 H ASP 27 -17.539 10.310 -7.434 191 HA ASP 27 HA ASP 27 -18.965 12.619 -8.267 192 HB2 ASP 27 HB2 ASP 27 -20.078 10.546 -7.545 193 HB3 ASP 27 HB3 ASP 27 -19.465 10.782 -5.918 194 H GLY 28 H GLY 28 -16.741 11.998 -5.707 195 HA2 GLY 28 HA3 GLY 28 -15.658 13.805 -4.573 196 HA3 GLY 28 HA2 GLY 28 -17.131 14.753 -4.748 197 H ASN 29 H ASN 29 -17.796 11.573 -3.916 198 HA ASN 29 HA ASN 29 -18.390 12.375 -1.161 199 HB2 ASN 29 HB2 ASN 29 -19.580 10.539 -3.097 200 HB3 ASN 29 HB3 ASN 29 -19.392 9.822 -1.500 201 HD21 ASN 29 HD21 ASN 29 -21.025 12.209 -3.406 202 HD22 ASN 29 HD22 ASN 29 -22.162 12.690 -2.192 203 H TRP 30 H TRP 30 -17.636 11.258 0.617 204 HA TRP 30 HA TRP 30 -15.088 10.016 0.315 205 HB2 TRP 30 HB2 TRP 30 -16.859 10.627 2.660 206 HB3 TRP 30 HB3 TRP 30 -15.381 9.689 2.852 207 HD1 TRP 30 HD1 TRP 30 -14.260 11.830 0.326 208 HE1 TRP 30 HE1 TRP 30 -13.142 13.972 1.217 209 HE3 TRP 30 HE3 TRP 30 -16.078 11.755 5.099 210 HZ2 TRP 30 HZ2 TRP 30 -13.060 15.438 3.627 211 HZ3 TRP 30 HZ3 TRP 30 -15.429 13.562 6.638 212 HH2 TRP 30 HH2 TRP 30 -13.950 15.366 5.915 213 H VAL 31 H VAL 31 -14.646 7.969 -0.015 214 HA VAL 31 HA VAL 31 -16.632 5.924 0.756 215 HB VAL 31 HB VAL 31 -14.665 5.589 -1.498 216 HG11 VAL 31 HG11 VAL 31 -15.680 3.557 -0.682 217 HG12 VAL 31 HG12 VAL 31 -17.291 4.254 -0.857 218 HG13 VAL 31 HG13 VAL 31 -16.311 3.930 -2.286 219 HG21 VAL 31 HG21 VAL 31 -16.435 6.224 -3.081 220 HG22 VAL 31 HG22 VAL 31 -17.446 6.727 -1.726 221 HG23 VAL 31 HG23 VAL 31 -15.931 7.570 -2.056 222 H THR 32 H THR 32 -15.740 3.896 1.454 223 HA THR 32 HA THR 32 -12.987 4.106 2.463 224 HB THR 32 HB THR 32 -15.170 2.243 3.423 225 HG1 THR 32 HG1 THR 32 -14.332 4.523 4.877 226 HG21 THR 32 HG21 THR 32 -13.743 2.026 5.409 227 HG22 THR 32 HG22 THR 32 -12.547 3.088 4.667 228 HG23 THR 32 HG23 THR 32 -12.896 1.514 3.950 229 H SER 33 H SER 33 -11.595 3.026 1.157 230 HA SER 33 HA SER 33 -12.580 0.574 -0.145 231 HB2 SER 33 HB2 SER 33 -11.921 2.508 -1.640 232 HB3 SER 33 HB3 SER 33 -10.268 2.280 -1.072 233 HG SER 33 HG SER 33 -11.884 0.378 -2.446 234 H GLU 34 H GLU 34 -11.088 -1.158 -0.407 235 HA GLU 34 HA GLU 34 -8.773 -1.154 1.381 236 HB2 GLU 34 HB2 GLU 34 -10.497 -3.592 1.260 237 HB3 GLU 34 HB3 GLU 34 -9.399 -3.074 2.527 238 HG2 GLU 34 HG2 GLU 34 -11.013 -1.270 3.088 239 HG3 GLU 34 HG3 GLU 34 -12.128 -1.978 1.925 240 H LEU 35 H LEU 35 -7.040 -2.084 0.466 241 HA LEU 35 HA LEU 35 -7.470 -3.919 -1.801 242 HB2 LEU 35 HB2 LEU 35 -6.637 -1.453 -2.301 243 HB3 LEU 35 HB3 LEU 35 -5.097 -2.092 -1.765 244 HG LEU 35 HG LEU 35 -6.723 -2.978 -4.148 245 HD11 LEU 35 HD11 LEU 35 -3.967 -1.799 -3.878 246 HD12 LEU 35 HD12 LEU 35 -4.718 -2.322 -5.385 247 HD13 LEU 35 HD13 LEU 35 -5.407 -0.976 -4.478 248 HD21 LEU 35 HD21 LEU 35 -5.794 -4.977 -3.098 249 HD22 LEU 35 HD22 LEU 35 -4.969 -4.618 -4.614 250 HD23 LEU 35 HD23 LEU 35 -4.194 -4.235 -3.077 251 H ASP 36 H ASP 36 -6.675 -5.813 -1.306 252 HA ASP 36 HA ASP 36 -4.978 -6.239 0.926 253 HB2 ASP 36 HB2 ASP 36 -5.949 -7.982 -1.329 254 HB3 ASP 36 HB3 ASP 36 -4.837 -8.575 -0.116 255 H LEU 37 H LEU 37 -2.969 -5.515 0.895 256 HA LEU 37 HA LEU 37 -1.399 -4.973 -1.351 257 HB2 LEU 37 HB2 LEU 37 -0.570 -5.659 1.460 258 HB3 LEU 37 HB3 LEU 37 0.503 -5.012 0.227 259 HG LEU 37 HG LEU 37 -1.790 -3.663 1.573 260 HD11 LEU 37 HD11 LEU 37 -0.062 -2.122 2.247 261 HD12 LEU 37 HD12 LEU 37 0.329 -3.780 2.716 262 HD13 LEU 37 HD13 LEU 37 1.121 -3.050 1.321 263 HD21 LEU 37 HD21 LEU 37 -0.216 -2.709 -0.813 264 HD22 LEU 37 HD22 LEU 37 -1.927 -3.138 -0.795 265 HD23 LEU 37 HD23 LEU 37 -1.362 -1.741 0.118 266 H ASP 38 H ASP 38 -1.490 -7.698 0.832 267 HA ASP 38 HA ASP 38 0.614 -9.146 -0.335 268 HB2 ASP 38 HB2 ASP 38 0.155 -10.789 1.166 269 HB3 ASP 38 HB3 ASP 38 -0.747 -9.484 1.929 270 H THR 39 H THR 39 -2.285 -8.323 -1.705 271 HA THR 39 HA THR 39 -2.396 -10.828 -3.236 272 HB THR 39 HB THR 39 -4.481 -9.516 -2.153 273 HG1 THR 39 HG1 THR 39 -5.507 -11.115 -3.099 274 HG21 THR 39 HG21 THR 39 -4.234 -7.559 -3.607 275 HG22 THR 39 HG22 THR 39 -5.752 -8.403 -3.919 276 HG23 THR 39 HG23 THR 39 -4.393 -8.597 -5.026 277 H ILE 40 H ILE 40 -1.194 -7.673 -3.443 278 HA ILE 40 HA ILE 40 -0.677 -8.048 -6.304 279 HB ILE 40 HB ILE 40 -1.111 -5.583 -6.680 280 HG12 ILE 40 HG13 ILE 40 -3.063 -4.874 -5.006 281 HG13 ILE 40 3HG1 ILE 40 -2.150 -5.901 -3.912 282 HG21 ILE 40 HG21 ILE 40 -2.585 -7.293 -7.557 283 HG22 ILE 40 HG22 ILE 40 -3.447 -7.363 -6.021 284 HG23 ILE 40 HG23 ILE 40 -3.524 -5.904 -7.007 285 HD11 ILE 40 HD11 ILE 40 -1.077 -3.509 -5.380 286 HD12 ILE 40 HD12 ILE 40 -1.536 -3.568 -3.677 287 HD13 ILE 40 HD13 ILE 40 -0.179 -4.532 -4.259 288 H ILE 41 H ILE 41 0.697 -7.806 -3.485 289 HA ILE 41 HA ILE 41 2.959 -6.194 -4.479 290 HB ILE 41 HB ILE 41 1.950 -6.369 -1.639 291 HG12 ILE 41 HG13 ILE 41 1.797 -4.303 -3.777 292 HG13 ILE 41 3HG1 ILE 41 0.618 -4.742 -2.549 293 HG21 ILE 41 HG21 ILE 41 4.390 -6.381 -1.687 294 HG22 ILE 41 HG22 ILE 41 4.380 -4.916 -2.670 295 HG23 ILE 41 HG23 ILE 41 3.755 -4.875 -1.019 296 HD11 ILE 41 HD11 ILE 41 1.906 -3.574 -0.864 297 HD12 ILE 41 HD12 ILE 41 3.130 -3.169 -2.069 298 HD13 ILE 41 HD13 ILE 41 1.504 -2.499 -2.205 299 H GLY 42 H GLY 42 4.868 -7.261 -4.471 300 HA2 GLY 42 HA3 GLY 42 4.948 -9.787 -2.935 301 HA3 GLY 42 HA2 GLY 42 5.513 -9.707 -4.593 302 H ASN 43 H ASN 43 7.051 -10.584 -2.417 303 HA ASN 43 HA ASN 43 9.025 -8.420 -2.178 304 HB2 ASN 43 HB2 ASN 43 8.400 -9.065 0.025 305 HB3 ASN 43 HB3 ASN 43 8.450 -10.775 -0.379 306 HD21 ASN 43 HD21 ASN 43 9.854 -11.242 1.283 307 HD22 ASN 43 HD22 ASN 43 11.534 -10.805 1.238 308 H ASN 44 H ASN 44 10.524 -8.609 -3.637 309 HA ASN 44 HA ASN 44 11.308 -11.231 -4.649 310 HB2 ASN 44 HB2 ASN 44 10.841 -9.189 -6.128 311 HB3 ASN 44 HB3 ASN 44 12.368 -8.545 -5.534 312 HD21 ASN 44 HD21 ASN 44 14.305 -9.611 -6.094 313 HD22 ASN 44 HD22 ASN 44 14.373 -10.671 -7.461 314 H ASP 45 H ASP 45 12.268 -11.858 -2.638 315 HA ASP 45 HA ASP 45 13.865 -12.056 -1.049 316 HB2 ASP 45 HB2 ASP 45 16.145 -12.425 -1.955 317 HB3 ASP 45 HB3 ASP 45 14.891 -13.305 -2.807 318 H GLY 46 H GLY 46 12.993 -9.578 -0.699 319 HA2 GLY 46 HA3 GLY 46 13.933 -7.945 0.757 320 HA3 GLY 46 HA2 GLY 46 15.481 -8.163 -0.042 321 H HIS 47 H HIS 47 12.436 -7.727 -1.752 322 HA HIS 47 HA HIS 47 12.801 -4.901 -2.119 323 HB2 HIS 47 HB2 HIS 47 14.523 -5.721 -3.672 324 HB3 HIS 47 HB3 HIS 47 13.323 -6.720 -4.484 325 HD1 HIS 47 HD1 HIS 47 12.911 -5.680 -6.695 326 HD2 HIS 47 HD2 HIS 47 13.195 -2.835 -3.676 327 HE1 HIS 47 HE1 HIS 47 12.411 -3.470 -7.792 328 HE2 HIS 47 HE2 HIS 47 12.816 -1.750 -5.993 329 H PHE 48 H PHE 48 10.822 -4.068 -2.284 330 HA PHE 48 HA PHE 48 8.514 -5.642 -2.621 331 HB2 PHE 48 HB2 PHE 48 8.947 -2.665 -2.730 332 HB3 PHE 48 HB3 PHE 48 7.358 -3.393 -2.948 333 HD1 PHE 48 HD2 PHE 48 6.713 -5.129 -1.040 334 HD2 PHE 48 HD1 PHE 48 9.536 -1.972 -0.641 335 HE1 PHE 48 HE2 PHE 48 6.407 -5.169 1.401 336 HE2 PHE 48 HE1 PHE 48 9.238 -2.012 1.800 337 HZ PHE 48 HZ PHE 48 7.673 -3.610 2.824 338 H GLN 49 H GLN 49 7.215 -6.042 -4.300 339 HA GLN 49 HA GLN 49 7.920 -4.919 -6.915 340 HB2 GLN 49 HB2 GLN 49 8.876 -7.019 -7.150 341 HB3 GLN 49 HB3 GLN 49 7.693 -7.790 -6.103 342 HG2 GLN 49 HG2 GLN 49 6.022 -7.679 -7.825 343 HG3 GLN 49 HG3 GLN 49 7.095 -6.755 -8.866 344 HE21 GLN 49 HE21 GLN 49 5.771 -9.284 -9.362 345 HE22 GLN 49 HE22 GLN 49 7.013 -10.445 -9.689 346 H TRP 50 H TRP 50 6.207 -3.857 -7.665 347 HA TRP 50 HA TRP 50 3.577 -4.294 -6.676 348 HB2 TRP 50 HB2 TRP 50 4.656 -2.676 -8.989 349 HB3 TRP 50 HB3 TRP 50 2.928 -2.787 -8.661 350 HD1 TRP 50 HD1 TRP 50 5.915 -0.787 -7.752 351 HE1 TRP 50 HE1 TRP 50 5.358 0.797 -5.789 352 HE3 TRP 50 HE3 TRP 50 1.456 -2.820 -6.309 353 HZ2 TRP 50 HZ2 TRP 50 3.307 1.129 -3.896 354 HZ3 TRP 50 HZ3 TRP 50 0.260 -1.812 -4.415 355 HH2 TRP 50 HH2 TRP 50 1.163 0.122 -3.235 356 H GLY 51 H GLY 51 2.394 -5.985 -7.130 357 HA2 GLY 51 HA3 GLY 51 1.096 -7.286 -8.641 358 HA3 GLY 51 HA2 GLY 51 2.296 -6.982 -9.892 359 H GLY 52 H GLY 52 3.031 -8.005 -6.605 360 HA2 GLY 52 HA3 GLY 52 4.147 -10.482 -7.746 361 HA3 GLY 52 HA2 GLY 52 4.720 -9.699 -6.282 362 H GLN 53 H GLN 53 2.469 -9.315 -4.828 363 HA GLN 53 HA GLN 53 0.936 -10.262 -3.468 364 HB2 GLN 53 HB2 GLN 53 -0.446 -11.056 -5.125 365 HB3 GLN 53 HB3 GLN 53 0.781 -12.117 -5.797 366 HG2 GLN 53 HG2 GLN 53 0.509 -13.610 -3.860 367 HG3 GLN 53 HG3 GLN 53 -0.767 -12.555 -3.256 368 HE21 GLN 53 HE21 GLN 53 -2.761 -12.551 -4.268 369 HE22 GLN 53 HE22 GLN 53 -3.219 -13.766 -5.410 370 H ASN 54 H ASN 54 0.906 -11.592 -1.709 371 HA ASN 54 HA ASN 54 1.657 -12.964 -0.081 372 HB2 ASN 54 HB2 ASN 54 2.796 -14.336 -2.472 373 HB3 ASN 54 HB3 ASN 54 3.384 -14.802 -0.880 374 HD21 ASN 54 HD21 ASN 54 2.518 -16.811 -0.888 375 HD22 ASN 54 HD22 ASN 54 0.808 -17.116 -0.819 376 H PHE 55 H PHE 55 2.968 -10.487 -0.636 377 HA PHE 55 HA PHE 55 5.788 -10.923 -0.299 378 HB2 PHE 55 HB2 PHE 55 6.041 -8.613 -0.413 379 HB3 PHE 55 HB3 PHE 55 4.566 -8.844 -1.336 380 HD1 PHE 55 HD1 PHE 55 2.355 -8.356 -0.234 381 HD2 PHE 55 HD2 PHE 55 6.085 -7.296 1.519 382 HE1 PHE 55 HE1 PHE 55 1.214 -6.719 1.207 383 HE2 PHE 55 HE2 PHE 55 4.952 -5.661 2.961 384 HZ PHE 55 HZ PHE 55 2.512 -5.369 2.805 385 H THR 56 H THR 56 3.020 -10.525 1.721 386 HA THR 56 HA THR 56 4.347 -9.817 4.116 387 HB THR 56 HB THR 56 2.220 -10.576 5.205 388 HG1 THR 56 HG1 THR 56 1.262 -12.078 4.017 389 HG21 THR 56 HG21 THR 56 0.796 -8.864 4.070 390 HG22 THR 56 HG22 THR 56 2.039 -8.727 2.829 391 HG23 THR 56 HG23 THR 56 2.407 -8.290 4.497 392 H GLU 57 H GLU 57 3.704 -12.842 2.513 393 HA GLU 57 HA GLU 57 4.190 -14.505 4.762 394 HB2 GLU 57 HB2 GLU 57 3.954 -16.310 3.342 395 HB3 GLU 57 HB3 GLU 57 3.061 -15.078 2.466 396 HG2 GLU 57 HG2 GLU 57 4.863 -14.756 0.944 397 HG3 GLU 57 HG3 GLU 57 5.922 -15.778 1.913 398 H THR 58 H THR 58 6.186 -12.602 2.848 399 HA THR 58 HA THR 58 8.570 -14.029 3.801 400 HB THR 58 HB THR 58 9.742 -13.242 1.745 401 HG1 THR 58 HG1 THR 58 7.272 -12.769 0.508 402 HG21 THR 58 HG21 THR 58 8.715 -14.845 0.210 403 HG22 THR 58 HG22 THR 58 7.263 -14.882 1.213 404 HG23 THR 58 HG23 THR 58 8.789 -15.507 1.843 405 H ALA 59 H ALA 59 6.823 -11.659 4.647 406 HA ALA 59 HA ALA 59 9.060 -9.792 5.051 407 HB1 ALA 59 HB1 ALA 59 7.547 -7.899 4.865 408 HB2 ALA 59 HB2 ALA 59 7.529 -8.853 3.380 409 HB3 ALA 59 HB3 ALA 59 6.200 -8.987 4.532 410 H GLU 60 H GLU 60 8.747 -8.362 6.931 411 HA GLU 60 HA GLU 60 6.884 -9.271 8.966 412 HB2 GLU 60 HB2 GLU 60 9.395 -9.052 10.286 413 HB3 GLU 60 HB3 GLU 60 8.346 -10.459 10.174 414 HG2 GLU 60 HG2 GLU 60 9.421 -11.003 8.003 415 HG3 GLU 60 HG3 GLU 60 10.552 -9.686 8.281 416 H ASP 61 H ASP 61 7.098 -7.808 10.937 417 HA ASP 61 HA ASP 61 6.815 -5.691 11.730 418 HB2 ASP 61 HB2 ASP 61 9.527 -6.161 11.226 419 HB3 ASP 61 HB3 ASP 61 9.217 -4.562 10.579 420 H ILE 62 H ILE 62 5.165 -5.715 9.839 421 HA ILE 62 HA ILE 62 5.781 -3.775 7.771 422 HB ILE 62 HB ILE 62 3.110 -5.115 8.079 423 HG12 ILE 62 HG13 ILE 62 5.693 -6.326 7.083 424 HG13 ILE 62 3HG1 ILE 62 4.567 -6.984 8.260 425 HG21 ILE 62 HG21 ILE 62 4.737 -4.198 5.706 426 HG22 ILE 62 HG22 ILE 62 3.143 -4.948 5.624 427 HG23 ILE 62 HG23 ILE 62 3.339 -3.377 6.400 428 HD11 ILE 62 HD11 ILE 62 4.094 -6.715 5.302 429 HD12 ILE 62 HD12 ILE 62 4.413 -8.205 6.191 430 HD13 ILE 62 HD13 ILE 62 2.916 -7.314 6.471 431 H ARG 63 H ARG 63 5.442 -1.723 8.123 432 HA ARG 63 HA ARG 63 3.014 -0.897 9.533 433 HB2 ARG 63 HB2 ARG 63 4.237 0.960 10.625 434 HB3 ARG 63 HB3 ARG 63 4.714 -0.623 11.208 435 HG2 ARG 63 HG2 ARG 63 6.279 0.862 9.122 436 HG3 ARG 63 HG3 ARG 63 6.549 1.072 10.850 437 HD2 ARG 63 HD2 ARG 63 6.935 -1.397 9.184 438 HD3 ARG 63 HD3 ARG 63 8.125 -0.537 10.159 439 HE ARG 63 HE ARG 63 6.170 -2.468 11.075 440 HH11 ARG 63 HH12 ARG 63 8.474 0.019 11.946 441 HH12 ARG 63 HH11 ARG 63 8.573 -0.479 13.609 442 HH21 ARG 63 HH22 ARG 63 6.261 -3.093 13.282 443 HH22 ARG 63 HH21 ARG 63 7.306 -2.225 14.369 444 H PHE 64 H PHE 64 1.889 0.540 8.446 445 HA PHE 64 HA PHE 64 3.006 1.528 5.952 446 HB2 PHE 64 HB2 PHE 64 0.905 0.410 5.763 447 HB3 PHE 64 HB3 PHE 64 0.204 1.379 7.051 448 HD1 PHE 64 HD2 PHE 64 2.139 2.342 4.007 449 HD2 PHE 64 HD1 PHE 64 -1.508 2.588 6.179 450 HE1 PHE 64 HE2 PHE 64 1.267 3.949 2.362 451 HE2 PHE 64 HE1 PHE 64 -2.377 4.188 4.539 452 HZ PHE 64 HZ PHE 64 -1.000 4.862 2.620 453 H HIS 65 H HIS 65 3.310 3.584 5.426 454 HA HIS 65 HA HIS 65 2.673 5.658 7.430 455 HB2 HIS 65 HB2 HIS 65 5.164 5.013 6.983 456 HB3 HIS 65 HB3 HIS 65 4.950 5.873 5.464 457 HD1 HIS 65 HD1 HIS 65 6.893 7.431 6.523 458 HD2 HIS 65 HD2 HIS 65 3.148 7.653 8.328 459 HE1 HIS 65 HE1 HIS 65 6.950 9.492 7.955 460 HE2 HIS 65 HE2 HIS 65 4.629 9.700 8.907 461 HA PRO 66 HA PRO 66 0.134 6.418 3.624 462 HB2 PRO 66 HB2 PRO 66 -1.625 8.027 5.038 463 HB3 PRO 66 HB3 PRO 66 -1.813 6.312 4.726 464 HG2 PRO 66 HG2 PRO 66 -0.867 7.686 7.172 465 HG3 PRO 66 HG3 PRO 66 -1.817 6.194 7.009 466 HD2 PRO 66 HD2 PRO 66 0.822 6.191 7.623 467 HD3 PRO 66 HD3 PRO 66 0.053 4.890 6.690 468 H LYS 67 H LYS 67 1.038 8.710 6.047 469 HA LYS 67 HA LYS 67 1.569 10.675 3.920 470 HB2 LYS 67 HB2 LYS 67 1.110 12.265 6.120 471 HB3 LYS 67 HB3 LYS 67 -0.008 12.007 4.794 472 HG2 LYS 67 HG2 LYS 67 -0.026 10.152 7.134 473 HG3 LYS 67 HG3 LYS 67 -0.798 11.734 7.253 474 HD2 LYS 67 HD2 LYS 67 -1.412 9.596 5.214 475 HD3 LYS 67 HD3 LYS 67 -2.413 10.031 6.601 476 HE2 LYS 67 HE2 LYS 67 -2.694 12.286 5.681 477 HE3 LYS 67 HE3 LYS 67 -1.707 11.838 4.293 478 HZ1 LYS 67 HZ1 LYS 67 -3.358 10.140 3.744 479 HZ2 LYS 67 HZ2 LYS 67 -4.017 11.700 3.730 480 HZ3 LYS 67 HZ3 LYS 67 -4.326 10.664 5.035 481 H GLU 68 H GLU 68 3.717 10.050 3.897 482 HA GLU 68 HA GLU 68 5.307 10.038 6.235 483 HB2 GLU 68 HB2 GLU 68 6.027 8.740 4.360 484 HB3 GLU 68 HB3 GLU 68 6.083 10.166 3.330 485 HG2 GLU 68 HG2 GLU 68 8.053 10.875 4.168 486 HG3 GLU 68 HG3 GLU 68 7.725 10.229 5.779 487 H GLY 69 H GLY 69 5.771 11.701 7.423 488 HA2 GLY 69 HA3 GLY 69 6.279 13.821 8.109 489 HA3 GLY 69 HA2 GLY 69 7.317 13.854 6.694 490 H ALA 70 H ALA 70 6.994 15.982 6.227 491 HA ALA 70 HA ALA 70 4.319 17.021 5.887 492 HB1 ALA 70 HB1 ALA 70 5.437 19.097 5.234 493 HB2 ALA 70 HB2 ALA 70 6.095 18.469 6.744 494 HB3 ALA 70 HB3 ALA 70 6.993 18.268 5.241 495 H ALA 71 H ALA 71 6.213 15.010 4.137 496 HA ALA 71 HA ALA 71 5.800 16.098 1.513 497 HB1 ALA 71 HB1 ALA 71 6.704 13.356 2.408 498 HB2 ALA 71 HB2 ALA 71 6.709 13.940 0.740 499 HB3 ALA 71 HB3 ALA 71 7.738 14.711 1.947 500 H GLU 72 H GLU 72 4.013 14.168 3.723 501 HA GLU 72 HA GLU 72 2.035 13.039 3.613 502 HB2 GLU 72 HB2 GLU 72 1.645 14.959 1.307 503 HB3 GLU 72 HB3 GLU 72 0.372 13.923 1.934 504 HG2 GLU 72 HG2 GLU 72 1.843 15.874 3.670 505 HG3 GLU 72 HG3 GLU 72 0.421 16.325 2.733 506 H GLN 73 H GLN 73 4.211 11.804 2.483 507 HA GLN 73 HA GLN 73 3.298 10.692 -0.067 508 HB2 GLN 73 HB2 GLN 73 5.661 11.623 0.332 509 HB3 GLN 73 HB3 GLN 73 5.946 10.157 1.257 510 HG2 GLN 73 HG2 GLN 73 6.796 9.745 -0.889 511 HG3 GLN 73 HG3 GLN 73 5.269 8.870 -0.800 512 HE21 GLN 73 HE21 GLN 73 6.771 9.836 -3.115 513 HE22 GLN 73 HE22 GLN 73 5.683 10.855 -4.001 514 HA PRO 74 HA PRO 74 2.051 7.107 2.328 515 HB2 PRO 74 HB2 PRO 74 0.810 5.815 0.311 516 HB3 PRO 74 HB3 PRO 74 0.059 7.172 1.160 517 HG2 PRO 74 HG2 PRO 74 1.472 7.139 -1.478 518 HG3 PRO 74 HG3 PRO 74 -0.020 7.977 -1.019 519 HD2 PRO 74 HD2 PRO 74 2.400 9.214 -1.156 520 HD3 PRO 74 HD3 PRO 74 1.117 9.721 -0.042 521 H ILE 75 H ILE 75 3.814 5.933 2.766 522 HA ILE 75 HA ILE 75 4.813 4.201 0.632 523 HB ILE 75 HB ILE 75 7.080 4.557 1.056 524 HG12 ILE 75 HG13 ILE 75 7.521 6.361 3.065 525 HG13 ILE 75 3HG1 ILE 75 6.183 5.425 3.719 526 HG21 ILE 75 HG21 ILE 75 6.146 6.417 -0.163 527 HG22 ILE 75 HG22 ILE 75 5.769 7.253 1.344 528 HG23 ILE 75 HG23 ILE 75 7.451 6.981 0.882 529 HD11 ILE 75 HD11 ILE 75 8.798 4.310 2.733 530 HD12 ILE 75 HD12 ILE 75 8.322 4.515 4.419 531 HD13 ILE 75 HD13 ILE 75 7.457 3.369 3.389 532 H LEU 76 H LEU 76 5.330 2.158 1.262 533 HA LEU 76 HA LEU 76 4.673 1.500 4.054 534 HB2 LEU 76 HB2 LEU 76 3.068 0.652 2.411 535 HB3 LEU 76 HB3 LEU 76 4.357 -0.151 1.546 536 HG LEU 76 HG LEU 76 2.765 -1.476 3.150 537 HD11 LEU 76 HD11 LEU 76 5.747 -1.913 3.145 538 HD12 LEU 76 HD12 LEU 76 4.519 -3.126 3.508 539 HD13 LEU 76 HD13 LEU 76 4.625 -2.439 1.888 540 HD21 LEU 76 HD21 LEU 76 3.691 -1.760 5.383 541 HD22 LEU 76 HD22 LEU 76 4.880 -0.499 5.057 542 HD23 LEU 76 HD23 LEU 76 3.162 -0.099 5.116 543 H ARG 77 H ARG 77 6.254 0.691 5.262 544 HA ARG 77 HA ARG 77 8.550 -0.524 3.894 545 HB2 ARG 77 HB2 ARG 77 10.080 0.443 5.390 546 HB3 ARG 77 HB3 ARG 77 8.980 1.750 4.990 547 HG2 ARG 77 HG2 ARG 77 8.654 0.093 7.471 548 HG3 ARG 77 HG3 ARG 77 9.690 1.515 7.413 549 HD2 ARG 77 HD2 ARG 77 6.756 1.482 6.753 550 HD3 ARG 77 HD3 ARG 77 7.437 1.993 8.297 551 HE ARG 77 HE ARG 77 7.745 3.388 5.727 552 HH11 ARG 77 HH12 ARG 77 7.987 3.352 9.229 553 HH12 ARG 77 HH11 ARG 77 8.344 5.046 9.336 554 HH21 ARG 77 HH22 ARG 77 8.237 5.623 5.892 555 HH22 ARG 77 HH21 ARG 77 8.501 6.323 7.465 556 H ALA 78 H ALA 78 9.363 -2.360 4.714 557 HA ALA 78 HA ALA 78 8.562 -3.453 7.249 558 HB1 ALA 78 HB1 ALA 78 6.585 -3.970 5.852 559 HB2 ALA 78 HB2 ALA 78 7.628 -4.854 4.739 560 HB3 ALA 78 HB3 ALA 78 7.427 -5.420 6.398 561 H ARG 79 H ARG 79 9.561 -5.686 7.523 562 HA ARG 79 HA ARG 79 12.234 -5.623 6.377 563 HB2 ARG 79 HB2 ARG 79 11.369 -7.856 8.153 564 HB3 ARG 79 HB3 ARG 79 12.909 -7.014 8.091 565 HG2 ARG 79 HG2 ARG 79 10.360 -6.090 9.405 566 HG3 ARG 79 HG3 ARG 79 11.878 -6.537 10.179 567 HD2 ARG 79 HD2 ARG 79 12.981 -4.603 9.197 568 HD3 ARG 79 HD3 ARG 79 11.495 -4.185 8.344 569 HE ARG 79 HE ARG 79 11.048 -4.354 11.140 570 HH11 ARG 79 HH12 ARG 79 12.446 -2.254 8.714 571 HH12 ARG 79 HH11 ARG 79 12.137 -0.804 9.610 572 HH21 ARG 79 HH22 ARG 79 10.582 -2.458 12.290 573 HH22 ARG 79 HH21 ARG 79 11.042 -0.912 11.626 574 H LEU 80 H LEU 80 12.608 -6.595 4.499 575 HA LEU 80 HA LEU 80 10.806 -8.733 3.648 576 HB2 LEU 80 HB2 LEU 80 12.496 -6.731 2.263 577 HB3 LEU 80 HB3 LEU 80 12.265 -8.270 1.460 578 HG LEU 80 HG LEU 80 9.950 -7.947 1.258 579 HD11 LEU 80 HD11 LEU 80 8.712 -6.134 2.297 580 HD12 LEU 80 HD12 LEU 80 9.435 -7.228 3.478 581 HD13 LEU 80 HD13 LEU 80 10.172 -5.655 3.166 582 HD21 LEU 80 HD21 LEU 80 11.267 -5.290 0.823 583 HD22 LEU 80 HD22 LEU 80 11.191 -6.630 -0.323 584 HD23 LEU 80 HD23 LEU 80 9.715 -5.785 0.146 585 H ARG 81 H ARG 81 11.363 -10.738 3.462 586 HA ARG 81 HA ARG 81 13.965 -11.608 4.338 587 HB2 ARG 81 HB2 ARG 81 12.083 -12.824 5.157 588 HB3 ARG 81 HB3 ARG 81 11.434 -13.045 3.540 589 HG2 ARG 81 HG2 ARG 81 14.098 -14.212 4.021 590 HG3 ARG 81 HG3 ARG 81 12.763 -14.946 4.905 591 HD2 ARG 81 HD2 ARG 81 11.541 -15.037 2.670 592 HD3 ARG 81 HD3 ARG 81 13.097 -14.632 1.939 593 HE ARG 81 HE ARG 81 13.961 -16.714 2.876 594 HH11 ARG 81 HH12 ARG 81 10.493 -16.348 2.667 595 HH12 ARG 81 HH11 ARG 81 10.181 -18.050 2.501 596 HH21 ARG 81 HH22 ARG 81 13.580 -18.968 2.667 597 HH22 ARG 81 HH21 ARG 81 11.941 -19.545 2.507 598 H ASP 82 H ASP 82 15.502 -12.712 3.168 599 HA ASP 82 HA ASP 82 15.336 -12.375 0.262 600 HB2 ASP 82 HB2 ASP 82 17.673 -12.337 0.197 601 HB3 ASP 82 HB3 ASP 82 17.310 -11.507 1.708 602 H CYS 83 H CYS 83 16.788 -14.203 -0.878 603 HA CYS 83 HA CYS 83 15.242 -16.542 -0.677 604 HB2 CYS 83 HB2 CYS 83 16.405 -15.815 -2.736 605 HB3 CYS 83 HB3 CYS 83 17.946 -16.204 -1.985 606 HG CYS 83 HG CYS 83 16.544 -18.960 -1.622 607 H ASN 84 H ASN 84 18.100 -15.567 1.022 608 HA ASN 84 HA ASN 84 18.861 -18.263 1.745 609 HB2 ASN 84 HB2 ASN 84 20.553 -16.475 1.586 610 HB3 ASN 84 HB3 ASN 84 19.772 -15.629 2.917 611 HD21 ASN 84 HD21 ASN 84 21.466 -15.702 4.306 612 HD22 ASN 84 HD22 ASN 84 22.066 -17.171 5.013 613 H GLY 85 H GLY 85 16.865 -15.733 3.053 614 HA2 GLY 85 HA3 GLY 85 15.052 -16.434 4.519 615 HA3 GLY 85 HA2 GLY 85 16.174 -17.555 5.274 616 H GLU 86 H GLU 86 16.711 -14.141 4.471 617 HA GLU 86 HA GLU 86 17.063 -13.639 7.366 618 HB2 GLU 86 HB2 GLU 86 18.686 -11.960 6.867 619 HB3 GLU 86 HB3 GLU 86 19.119 -13.356 5.895 620 HG2 GLU 86 HG2 GLU 86 18.294 -12.352 3.920 621 HG3 GLU 86 HG3 GLU 86 17.503 -11.062 4.823 622 H PHE 87 H PHE 87 17.054 -10.823 7.201 623 HA PHE 87 HA PHE 87 14.593 -10.099 5.853 624 HB2 PHE 87 HB2 PHE 87 13.559 -9.164 7.905 625 HB3 PHE 87 HB3 PHE 87 13.721 -10.914 7.969 626 HD1 PHE 87 HD1 PHE 87 15.661 -11.881 9.308 627 HD2 PHE 87 HD2 PHE 87 14.430 -7.814 9.590 628 HE1 PHE 87 HE1 PHE 87 16.797 -11.688 11.483 629 HE2 PHE 87 HE2 PHE 87 15.571 -7.616 11.759 630 HZ PHE 87 HZ PHE 87 16.754 -9.555 12.709 631 H HIS 88 H HIS 88 14.753 -8.152 5.036 632 HA HIS 88 HA HIS 88 16.504 -6.173 6.309 633 HB2 HIS 88 HB2 HIS 88 17.561 -7.452 4.270 634 HB3 HIS 88 HB3 HIS 88 16.495 -6.420 3.316 635 HD1 HIS 88 HD1 HIS 88 16.888 -3.763 3.645 636 HD2 HIS 88 HD2 HIS 88 19.864 -6.268 5.114 637 HE1 HIS 88 HE1 HIS 88 18.891 -2.292 4.015 638 HE2 HIS 88 HE2 HIS 88 20.628 -3.798 5.049 639 H ASP 89 H ASP 89 15.408 -4.378 6.610 640 HA ASP 89 HA ASP 89 12.745 -4.105 5.718 641 HB2 ASP 89 HB2 ASP 89 12.738 -1.961 6.831 642 HB3 ASP 89 HB3 ASP 89 13.557 -3.149 7.835 643 H ARG 90 H ARG 90 11.916 -3.388 3.951 644 HA ARG 90 HA ARG 90 13.480 -1.521 2.283 645 HB2 ARG 90 HB2 ARG 90 11.510 -3.653 1.429 646 HB3 ARG 90 HB3 ARG 90 12.208 -2.456 0.348 647 HG2 ARG 90 HG2 ARG 90 13.721 -4.558 1.877 648 HG3 ARG 90 HG3 ARG 90 13.361 -4.572 0.148 649 HD2 ARG 90 HD2 ARG 90 14.675 -2.548 -0.157 650 HD3 ARG 90 HD3 ARG 90 15.000 -2.484 1.576 651 HE ARG 90 HE ARG 90 15.814 -4.932 0.274 652 HH11 ARG 90 HH12 ARG 90 16.750 -1.692 1.253 653 HH12 ARG 90 HH11 ARG 90 18.460 -2.046 1.226 654 HH21 ARG 90 HH22 ARG 90 18.041 -5.404 0.267 655 HH22 ARG 90 HH21 ARG 90 19.187 -4.161 0.696 656 H ASP 91 H ASP 91 11.751 -0.430 0.680 657 HA ASP 91 HA ASP 91 9.313 0.237 2.101 658 HB2 ASP 91 HB2 ASP 91 9.687 2.656 1.906 659 HB3 ASP 91 HB3 ASP 91 10.913 1.912 2.922 660 H VAL 92 H VAL 92 7.720 1.050 0.751 661 HA VAL 92 HA VAL 92 8.419 1.180 -2.084 662 HB VAL 92 HB VAL 92 7.613 -1.094 -1.638 663 HG11 VAL 92 HG11 VAL 92 5.258 -1.493 -1.111 664 HG12 VAL 92 HG12 VAL 92 6.105 -0.677 0.204 665 HG13 VAL 92 HG13 VAL 92 5.033 0.238 -0.855 666 HG21 VAL 92 HG21 VAL 92 5.794 0.580 -3.336 667 HG22 VAL 92 HG22 VAL 92 7.330 -0.139 -3.817 668 HG23 VAL 92 HG23 VAL 92 5.957 -1.175 -3.428 669 H ASN 93 H ASN 93 7.288 2.529 -3.275 670 HA ASN 93 HA ASN 93 5.843 4.607 -1.905 671 HB2 ASN 93 HB2 ASN 93 6.861 4.185 -4.692 672 HB3 ASN 93 HB3 ASN 93 5.679 5.449 -4.386 673 HD21 ASN 93 HD21 ASN 93 8.922 4.352 -3.814 674 HD22 ASN 93 HD22 ASN 93 9.525 5.840 -3.159 675 H LEU 94 H LEU 94 3.785 4.272 -1.382 676 HA LEU 94 HA LEU 94 2.125 2.486 -2.908 677 HB2 LEU 94 HB2 LEU 94 1.520 4.230 -0.525 678 HB3 LEU 94 HB3 LEU 94 0.357 3.143 -1.261 679 HG LEU 94 HG LEU 94 2.657 2.560 0.512 680 HD11 LEU 94 HD11 LEU 94 1.122 0.861 1.344 681 HD12 LEU 94 HD12 LEU 94 0.361 2.450 1.298 682 HD13 LEU 94 HD13 LEU 94 -0.020 1.255 0.059 683 HD21 LEU 94 HD21 LEU 94 1.773 0.613 -1.615 684 HD22 LEU 94 HD22 LEU 94 3.341 1.416 -1.544 685 HD23 LEU 94 HD23 LEU 94 2.878 0.270 -0.285 686 H ASN 95 H ASN 95 3.090 5.467 -3.612 687 HA ASN 95 HA ASN 95 0.716 6.858 -4.271 688 HB2 ASN 95 HB2 ASN 95 3.352 7.098 -5.733 689 HB3 ASN 95 HB3 ASN 95 2.081 8.311 -5.615 690 HD21 ASN 95 HD21 ASN 95 4.783 6.865 -4.126 691 HD22 ASN 95 HD22 ASN 95 4.878 7.898 -2.760 692 H ARG 96 H ARG 96 2.013 4.048 -5.523 693 HA ARG 96 HA ARG 96 1.304 4.361 -8.269 694 HB2 ARG 96 HB2 ARG 96 2.024 2.032 -6.525 695 HB3 ARG 96 HB3 ARG 96 1.356 1.750 -8.123 696 HG2 ARG 96 HG2 ARG 96 3.807 1.663 -8.084 697 HG3 ARG 96 HG3 ARG 96 3.196 2.924 -9.150 698 HD2 ARG 96 HD2 ARG 96 3.878 3.616 -6.333 699 HD3 ARG 96 HD3 ARG 96 5.183 3.381 -7.496 700 HE ARG 96 HE ARG 96 3.018 5.255 -8.115 701 HH11 ARG 96 HH12 ARG 96 6.400 4.656 -7.420 702 HH12 ARG 96 HH11 ARG 96 6.897 6.279 -7.827 703 HH21 ARG 96 HH22 ARG 96 3.655 7.374 -8.653 704 HH22 ARG 96 HH21 ARG 96 5.336 7.824 -8.523 705 H ILE 97 H ILE 97 -0.430 3.869 -5.413 706 HA ILE 97 HA ILE 97 -2.656 2.483 -6.648 707 HB ILE 97 HB ILE 97 -2.356 3.594 -3.855 708 HG12 ILE 97 HG13 ILE 97 -2.201 0.682 -4.510 709 HG13 ILE 97 3HG1 ILE 97 -0.793 1.685 -4.842 710 HG21 ILE 97 HG21 ILE 97 -4.686 3.275 -4.478 711 HG22 ILE 97 HG22 ILE 97 -4.340 1.629 -5.008 712 HG23 ILE 97 HG23 ILE 97 -4.195 2.056 -3.302 713 HD11 ILE 97 HD11 ILE 97 -2.152 1.399 -2.179 714 HD12 ILE 97 HD12 ILE 97 -0.642 0.628 -2.667 715 HD13 ILE 97 HD13 ILE 97 -0.728 2.384 -2.526 716 H GLN 98 H GLN 98 -4.340 3.443 -7.502 717 HA GLN 98 HA GLN 98 -4.831 6.289 -6.921 718 HB2 GLN 98 HB2 GLN 98 -4.983 4.720 -9.462 719 HB3 GLN 98 HB3 GLN 98 -6.099 6.055 -9.231 720 HG2 GLN 98 HG2 GLN 98 -4.232 6.844 -10.469 721 HG3 GLN 98 HG3 GLN 98 -4.161 7.547 -8.858 722 HE21 GLN 98 HE21 GLN 98 -2.734 5.262 -11.054 723 HE22 GLN 98 HE22 GLN 98 -1.255 5.050 -10.186 724 H ASN 99 H ASN 99 -7.200 6.857 -7.381 725 HA ASN 99 HA ASN 99 -8.899 4.725 -6.283 726 HB2 ASN 99 HB2 ASN 99 -8.668 6.504 -4.672 727 HB3 ASN 99 HB3 ASN 99 -9.032 7.721 -5.892 728 HD21 ASN 99 HD21 ASN 99 -11.135 8.023 -6.552 729 HD22 ASN 99 HD22 ASN 99 -12.472 7.395 -5.668 730 H VAL 100 H VAL 100 -10.340 3.974 -7.659 731 HA VAL 100 HA VAL 100 -11.267 5.743 -9.827 732 HB VAL 100 HB VAL 100 -11.130 2.721 -9.840 733 HG11 VAL 100 HG11 VAL 100 -11.906 4.666 -12.012 734 HG12 VAL 100 HG12 VAL 100 -11.701 2.927 -12.223 735 HG13 VAL 100 HG13 VAL 100 -12.980 3.543 -11.177 736 HG21 VAL 100 HG21 VAL 100 -8.912 3.702 -9.958 737 HG22 VAL 100 HG22 VAL 100 -9.359 3.009 -11.516 738 HG23 VAL 100 HG23 VAL 100 -9.426 4.756 -11.275 739 H ASN 101 H ASN 101 -13.102 6.585 -9.032 740 HA ASN 101 HA ASN 101 -15.270 6.741 -8.375 741 HB2 ASN 101 HB2 ASN 101 -15.379 5.057 -10.358 742 HB3 ASN 101 HB3 ASN 101 -15.675 3.852 -9.111 743 HD21 ASN 101 HD21 ASN 101 -17.378 4.733 -11.275 744 HD22 ASN 101 HD22 ASN 101 -18.838 5.307 -10.539 745 H GLY 102 H GLY 102 -13.161 5.628 -6.539 746 HA2 GLY 102 HA3 GLY 102 -13.520 5.522 -4.173 747 HA3 GLY 102 HA2 GLY 102 -15.064 4.747 -4.482 748 H ARG 103 H ARG 103 -12.283 3.666 -6.250 749 HA ARG 103 HA ARG 103 -12.002 1.399 -4.408 750 HB2 ARG 103 HB2 ARG 103 -12.115 -0.205 -6.101 751 HB3 ARG 103 HB3 ARG 103 -13.396 0.919 -6.524 752 HG2 ARG 103 HG2 ARG 103 -11.799 1.998 -8.125 753 HG3 ARG 103 HG3 ARG 103 -10.685 0.669 -7.797 754 HD2 ARG 103 HD2 ARG 103 -11.924 0.180 -9.802 755 HD3 ARG 103 HD3 ARG 103 -12.441 -0.920 -8.523 756 HE ARG 103 HE ARG 103 -14.178 1.206 -8.409 757 HH11 ARG 103 HH12 ARG 103 -13.264 -1.157 -10.839 758 HH12 ARG 103 HH11 ARG 103 -14.812 -1.109 -11.632 759 HH21 ARG 103 HH22 ARG 103 -16.205 1.240 -9.435 760 HH22 ARG 103 HH21 ARG 103 -16.477 0.251 -10.837 761 H LEU 104 H LEU 104 -9.974 0.807 -3.967 762 HA LEU 104 HA LEU 104 -7.817 2.449 -4.972 763 HB2 LEU 104 HB2 LEU 104 -8.281 0.647 -2.706 764 HB3 LEU 104 HB3 LEU 104 -6.663 0.536 -3.370 765 HG LEU 104 HG LEU 104 -6.180 2.792 -2.864 766 HD11 LEU 104 HD11 LEU 104 -8.245 3.807 -3.628 767 HD12 LEU 104 HD12 LEU 104 -9.104 3.154 -2.231 768 HD13 LEU 104 HD13 LEU 104 -7.846 4.370 -2.004 769 HD21 LEU 104 HD21 LEU 104 -6.615 2.930 -0.452 770 HD22 LEU 104 HD22 LEU 104 -7.803 1.634 -0.596 771 HD23 LEU 104 HD23 LEU 104 -6.101 1.315 -0.936 772 H VAL 105 H VAL 105 -6.440 1.919 -6.537 773 HA VAL 105 HA VAL 105 -6.005 -0.899 -7.174 774 HB VAL 105 HB VAL 105 -7.774 -0.235 -8.691 775 HG11 VAL 105 HG11 VAL 105 -7.466 1.522 -10.356 776 HG12 VAL 105 HG12 VAL 105 -7.413 2.168 -8.715 777 HG13 VAL 105 HG13 VAL 105 -5.918 1.946 -9.624 778 HG21 VAL 105 HG21 VAL 105 -6.685 -0.759 -10.825 779 HG22 VAL 105 HG22 VAL 105 -5.111 -0.462 -10.086 780 HG23 VAL 105 HG23 VAL 105 -6.113 -1.797 -9.520 781 H PHE 106 H PHE 106 -3.945 -1.354 -7.568 782 HA PHE 106 HA PHE 106 -1.970 0.751 -7.450 783 HB2 PHE 106 HB2 PHE 106 -0.383 -0.953 -7.081 784 HB3 PHE 106 HB3 PHE 106 -1.836 -1.556 -6.294 785 HD1 PHE 106 HD2 PHE 106 -3.388 -3.004 -7.948 786 HD2 PHE 106 HD1 PHE 106 0.807 -2.425 -8.358 787 HE1 PHE 106 HE2 PHE 106 -3.240 -5.049 -9.307 788 HE2 PHE 106 HE1 PHE 106 0.961 -4.467 -9.718 789 HZ PHE 106 HZ PHE 106 -1.065 -5.783 -10.194 790 H GLN 107 H GLN 107 -0.456 1.253 -9.053 791 HA GLN 107 HA GLN 107 0.230 1.714 -11.166 792 HB2 GLN 107 HB2 GLN 107 -0.432 -1.211 -11.428 793 HB3 GLN 107 HB3 GLN 107 0.302 -0.291 -12.734 794 HG2 GLN 107 HG2 GLN 107 1.499 -0.522 -9.986 795 HG3 GLN 107 HG3 GLN 107 1.890 -1.609 -11.319 796 HE21 GLN 107 HE21 GLN 107 3.040 -0.819 -13.081 797 HE22 GLN 107 HE22 GLN 107 3.935 0.665 -13.010 Start of MODEL 5 1 H MET 1 H MET 1 -2.561 13.747 -9.035 2 HA MET 1 HA MET 1 -0.694 12.216 -8.849 3 HB2 MET 1 HB2 MET 1 -0.961 13.916 -7.157 4 HB3 MET 1 HB3 MET 1 -2.162 12.953 -6.309 5 HG2 MET 1 HG2 MET 1 0.018 12.947 -5.196 6 HG3 MET 1 HG3 MET 1 -0.493 11.333 -5.689 7 HE1 MET 1 HE1 MET 1 1.064 14.250 -7.869 8 HE2 MET 1 HE2 MET 1 1.925 14.328 -6.331 9 HE3 MET 1 HE3 MET 1 2.775 13.827 -7.794 10 H SER 2 H SER 2 -2.744 11.119 -6.209 11 HA SER 2 HA SER 2 -2.847 8.408 -7.241 12 HB2 SER 2 HB2 SER 2 -1.522 8.979 -4.575 13 HB3 SER 2 HB3 SER 2 -1.675 7.417 -5.380 14 HG SER 2 HG SER 2 -0.049 7.892 -6.656 15 H TYR 3 H TYR 3 -3.683 7.076 -5.003 16 HA TYR 3 HA TYR 3 -6.302 8.013 -4.624 17 HB2 TYR 3 HB2 TYR 3 -6.604 6.199 -3.131 18 HB3 TYR 3 HB3 TYR 3 -5.420 5.633 -4.299 19 HD1 TYR 3 HD2 TYR 3 -2.909 5.826 -3.572 20 HD2 TYR 3 HD1 TYR 3 -6.183 6.005 -0.867 21 HE1 TYR 3 HE2 TYR 3 -1.405 5.237 -1.721 22 HE2 TYR 3 HE1 TYR 3 -4.694 5.421 0.992 23 HH TYR 3 HH TYR 3 -1.293 5.447 0.698 24 H ALA 4 H ALA 4 -3.367 8.383 -2.741 25 HA ALA 4 HA ALA 4 -4.286 9.419 -0.366 26 HB1 ALA 4 HB1 ALA 4 -1.953 8.813 -0.826 27 HB2 ALA 4 HB2 ALA 4 -1.786 10.260 -1.819 28 HB3 ALA 4 HB3 ALA 4 -2.097 10.409 -0.090 29 H ASP 5 H ASP 5 -4.148 10.986 -3.467 30 HA ASP 5 HA ASP 5 -4.183 13.667 -2.816 31 HB2 ASP 5 HB2 ASP 5 -4.085 12.923 -5.118 32 HB3 ASP 5 HB3 ASP 5 -5.688 12.206 -4.996 33 H SER 6 H SER 6 -6.707 11.287 -2.438 34 HA SER 6 HA SER 6 -8.329 13.282 -1.036 35 HB2 SER 6 HB2 SER 6 -9.458 11.397 -3.122 36 HB3 SER 6 HB3 SER 6 -10.377 12.545 -2.149 37 HG SER 6 HG SER 6 -8.272 13.645 -3.562 38 H SER 7 H SER 7 -6.648 11.130 -0.060 39 HA SER 7 HA SER 7 -8.700 9.311 1.017 40 HB2 SER 7 HB2 SER 7 -5.770 8.809 0.509 41 HB3 SER 7 HB3 SER 7 -6.802 7.717 1.434 42 HG SER 7 HG SER 7 -7.834 7.150 -0.349 43 H ARG 8 H ARG 8 -8.553 8.633 3.157 44 HA ARG 8 HA ARG 8 -6.725 9.974 4.965 45 HB2 ARG 8 HB2 ARG 8 -8.276 11.208 6.165 46 HB3 ARG 8 HB3 ARG 8 -8.914 11.386 4.537 47 HG2 ARG 8 HG2 ARG 8 -10.125 9.079 5.488 48 HG3 ARG 8 HG3 ARG 8 -10.113 10.176 6.873 49 HD2 ARG 8 HD2 ARG 8 -12.113 10.674 5.789 50 HD3 ARG 8 HD3 ARG 8 -11.011 11.932 5.227 51 HE ARG 8 HE ARG 8 -10.760 10.629 3.163 52 HH11 ARG 8 HH12 ARG 8 -13.452 9.871 5.255 53 HH12 ARG 8 HH11 ARG 8 -14.432 9.224 3.970 54 HH21 ARG 8 HH22 ARG 8 -12.042 9.799 1.467 55 HH22 ARG 8 HH21 ARG 8 -13.631 9.197 1.815 56 H ASN 9 H ASN 9 -7.123 9.136 7.247 57 HA ASN 9 HA ASN 9 -7.156 7.376 8.677 58 HB2 ASN 9 HB2 ASN 9 -9.692 6.972 7.126 59 HB3 ASN 9 HB3 ASN 9 -9.202 5.792 8.339 60 HD21 ASN 9 HD21 ASN 9 -11.509 7.570 8.269 61 HD22 ASN 9 HD22 ASN 9 -11.418 8.514 9.730 62 H ALA 10 H ALA 10 -5.604 7.102 6.258 63 HA ALA 10 HA ALA 10 -5.859 4.428 5.301 64 HB1 ALA 10 HB1 ALA 10 -3.861 4.847 4.064 65 HB2 ALA 10 HB2 ALA 10 -4.838 6.312 4.017 66 HB3 ALA 10 HB3 ALA 10 -3.444 6.219 5.094 67 H VAL 11 H VAL 11 -5.419 2.688 6.454 68 HA VAL 11 HA VAL 11 -3.029 2.619 8.156 69 HB VAL 11 HB VAL 11 -5.728 1.652 9.146 70 HG11 VAL 11 HG11 VAL 11 -3.870 0.389 10.042 71 HG12 VAL 11 HG12 VAL 11 -3.064 1.879 10.535 72 HG13 VAL 11 HG13 VAL 11 -4.580 1.403 11.299 73 HG21 VAL 11 HG21 VAL 11 -5.673 3.503 10.745 74 HG22 VAL 11 HG22 VAL 11 -4.208 4.120 9.983 75 HG23 VAL 11 HG23 VAL 11 -5.723 4.084 9.082 76 H LEU 12 H LEU 12 -2.217 0.480 8.480 77 HA LEU 12 HA LEU 12 -3.059 -1.388 6.420 78 HB2 LEU 12 HB2 LEU 12 -0.589 -0.811 7.702 79 HB3 LEU 12 HB3 LEU 12 -1.004 -2.466 8.088 80 HG LEU 12 HG LEU 12 -1.071 -3.084 5.783 81 HD11 LEU 12 HD11 LEU 12 -0.682 -1.480 3.980 82 HD12 LEU 12 HD12 LEU 12 -2.139 -1.083 4.890 83 HD13 LEU 12 HD13 LEU 12 -0.657 -0.164 5.154 84 HD21 LEU 12 HD21 LEU 12 1.136 -2.996 6.796 85 HD22 LEU 12 HD22 LEU 12 1.219 -2.565 5.088 86 HD23 LEU 12 HD23 LEU 12 1.302 -1.306 6.319 87 H THR 13 H THR 13 -3.994 -3.325 6.780 88 HA THR 13 HA THR 13 -4.640 -4.074 9.552 89 HB THR 13 HB THR 13 -6.470 -4.482 7.175 90 HG1 THR 13 HG1 THR 13 -6.526 -2.380 9.118 91 HG21 THR 13 HG21 THR 13 -6.843 -5.931 9.142 92 HG22 THR 13 HG22 THR 13 -8.190 -4.828 8.861 93 HG23 THR 13 HG23 THR 13 -7.029 -4.492 10.144 94 H ASN 14 H ASN 14 -5.201 -6.422 9.732 95 HA ASN 14 HA ASN 14 -4.903 -8.652 9.343 96 HB2 ASN 14 HB2 ASN 14 -5.354 -7.698 6.845 97 HB3 ASN 14 HB3 ASN 14 -3.730 -8.339 6.649 98 HD21 ASN 14 HD21 ASN 14 -4.595 -9.897 5.193 99 HD22 ASN 14 HD22 ASN 14 -5.411 -11.299 5.791 100 H GLY 15 H GLY 15 -2.627 -6.448 9.687 101 HA2 GLY 15 HA3 GLY 15 -0.516 -6.831 10.661 102 HA3 GLY 15 HA2 GLY 15 -0.513 -8.448 9.966 103 H GLY 16 H GLY 16 -1.371 -5.661 8.102 104 HA2 GLY 16 HA3 GLY 16 -0.032 -4.388 6.641 105 HA3 GLY 16 HA2 GLY 16 1.294 -5.511 6.912 106 H ARG 17 H ARG 17 -1.816 -6.811 6.267 107 HA ARG 17 HA ARG 17 -0.869 -7.650 3.619 108 HB2 ARG 17 HB2 ARG 17 -3.157 -8.957 5.053 109 HB3 ARG 17 HB3 ARG 17 -2.067 -9.636 3.853 110 HG2 ARG 17 HG2 ARG 17 -0.245 -9.450 5.606 111 HG3 ARG 17 HG3 ARG 17 -1.526 -9.100 6.754 112 HD2 ARG 17 HD2 ARG 17 -0.868 -11.484 6.730 113 HD3 ARG 17 HD3 ARG 17 -2.568 -11.219 6.344 114 HE ARG 17 HE ARG 17 -0.849 -11.404 4.034 115 HH11 ARG 17 HH12 ARG 17 -2.717 -13.220 6.381 116 HH12 ARG 17 HH11 ARG 17 -3.030 -14.541 5.289 117 HH21 ARG 17 HH22 ARG 17 -1.287 -13.135 2.589 118 HH22 ARG 17 HH21 ARG 17 -2.175 -14.518 3.168 119 H THR 18 H THR 18 -3.106 -5.675 5.208 120 HA THR 18 HA THR 18 -4.635 -5.374 2.719 121 HB THR 18 HB THR 18 -5.828 -5.287 5.496 122 HG1 THR 18 HG1 THR 18 -5.998 -7.304 3.463 123 HG21 THR 18 HG21 THR 18 -7.976 -5.235 4.296 124 HG22 THR 18 HG22 THR 18 -7.110 -5.188 2.760 125 HG23 THR 18 HG23 THR 18 -6.971 -3.841 3.893 126 H LEU 19 H LEU 19 -4.726 -3.343 2.033 127 HA LEU 19 HA LEU 19 -3.910 -1.183 3.822 128 HB2 LEU 19 HB2 LEU 19 -2.681 -1.337 1.750 129 HB3 LEU 19 HB3 LEU 19 -4.167 -1.365 0.823 130 HG LEU 19 HG LEU 19 -4.626 0.962 1.604 131 HD11 LEU 19 HD11 LEU 19 -3.259 0.914 3.629 132 HD12 LEU 19 HD12 LEU 19 -1.802 0.792 2.642 133 HD13 LEU 19 HD13 LEU 19 -2.797 2.246 2.568 134 HD21 LEU 19 HD21 LEU 19 -3.684 0.529 -0.581 135 HD22 LEU 19 HD22 LEU 19 -2.968 1.987 0.106 136 HD23 LEU 19 HD23 LEU 19 -2.061 0.474 0.103 137 H ARG 20 H ARG 20 -5.590 -0.312 4.864 138 HA ARG 20 HA ARG 20 -8.152 -0.020 3.451 139 HB2 ARG 20 HB2 ARG 20 -7.860 -1.187 5.765 140 HB3 ARG 20 HB3 ARG 20 -7.711 0.445 6.392 141 HG2 ARG 20 HG2 ARG 20 -10.082 -0.571 4.840 142 HG3 ARG 20 HG3 ARG 20 -9.980 -0.528 6.598 143 HD2 ARG 20 HD2 ARG 20 -9.995 1.799 4.689 144 HD3 ARG 20 HD3 ARG 20 -11.210 1.386 5.896 145 HE ARG 20 HE ARG 20 -8.654 2.696 6.352 146 HH11 ARG 20 HH12 ARG 20 -11.455 1.131 7.779 147 HH12 ARG 20 HH11 ARG 20 -11.244 1.907 9.322 148 HH21 ARG 20 HH22 ARG 20 -8.406 3.734 8.353 149 HH22 ARG 20 HH21 ARG 20 -9.522 3.399 9.651 150 H ALA 21 H ALA 21 -8.675 1.947 2.705 151 HA ALA 21 HA ALA 21 -7.799 4.333 4.147 152 HB1 ALA 21 HB1 ALA 21 -6.028 3.952 2.512 153 HB2 ALA 21 HB2 ALA 21 -7.225 3.901 1.217 154 HB3 ALA 21 HB3 ALA 21 -6.958 5.397 2.109 155 H GLU 22 H GLU 22 -9.069 6.176 3.698 156 HA GLU 22 HA GLU 22 -11.608 5.536 2.363 157 HB2 GLU 22 HB2 GLU 22 -11.092 7.824 4.247 158 HB3 GLU 22 HB3 GLU 22 -12.644 7.174 3.734 159 HG2 GLU 22 HG2 GLU 22 -11.711 4.988 4.869 160 HG3 GLU 22 HG3 GLU 22 -10.724 6.161 5.752 161 H CYS 23 H CYS 23 -11.771 6.326 0.359 162 HA CYS 23 HA CYS 23 -10.596 8.969 -0.180 163 HB2 CYS 23 HB2 CYS 23 -9.220 7.042 -1.059 164 HB3 CYS 23 HB3 CYS 23 -10.556 6.686 -2.147 165 HG CYS 23 HG CYS 23 -8.127 8.897 -2.459 166 H ARG 24 H ARG 24 -11.643 10.237 -1.683 167 HA ARG 24 HA ARG 24 -14.464 9.775 -1.937 168 HB2 ARG 24 HB2 ARG 24 -14.485 12.013 -1.912 169 HB3 ARG 24 HB3 ARG 24 -12.731 12.033 -1.940 170 HG2 ARG 24 HG2 ARG 24 -14.308 11.771 -4.472 171 HG3 ARG 24 HG3 ARG 24 -14.019 13.347 -3.732 172 HD2 ARG 24 HD2 ARG 24 -11.817 13.337 -4.258 173 HD3 ARG 24 HD3 ARG 24 -11.665 11.594 -4.038 174 HE ARG 24 HE ARG 24 -13.175 11.812 -6.281 175 HH11 ARG 24 HH12 ARG 24 -10.065 13.103 -5.280 176 HH12 ARG 24 HH11 ARG 24 -9.421 13.168 -6.896 177 HH21 ARG 24 HH22 ARG 24 -12.328 11.907 -8.420 178 HH22 ARG 24 HH21 ARG 24 -10.712 12.486 -8.680 179 H ASN 25 H ASN 25 -15.622 9.462 -3.844 180 HA ASN 25 HA ASN 25 -14.107 8.139 -5.944 181 HB2 ASN 25 HB2 ASN 25 -16.174 7.268 -6.715 182 HB3 ASN 25 HB3 ASN 25 -16.199 7.185 -4.965 183 HD21 ASN 25 HD21 ASN 25 -18.382 7.191 -6.886 184 HD22 ASN 25 HD22 ASN 25 -19.412 8.507 -6.428 185 H ALA 26 H ALA 26 -15.644 8.513 -8.161 186 HA ALA 26 HA ALA 26 -14.627 10.896 -9.233 187 HB1 ALA 26 HB1 ALA 26 -15.157 8.892 -10.553 188 HB2 ALA 26 HB2 ALA 26 -16.875 9.195 -10.300 189 HB3 ALA 26 HB3 ALA 26 -15.903 10.347 -11.217 190 H ASP 27 H ASP 27 -17.721 10.113 -7.798 191 HA ASP 27 HA ASP 27 -19.095 12.463 -8.637 192 HB2 ASP 27 HB2 ASP 27 -20.280 10.425 -7.962 193 HB3 ASP 27 HB3 ASP 27 -19.646 10.585 -6.330 194 H GLY 28 H GLY 28 -16.899 11.736 -6.078 195 HA2 GLY 28 HA3 GLY 28 -15.772 13.512 -4.924 196 HA3 GLY 28 HA2 GLY 28 -17.237 14.477 -5.062 197 H ASN 29 H ASN 29 -18.050 11.352 -4.352 198 HA ASN 29 HA ASN 29 -18.733 12.042 -1.611 199 HB2 ASN 29 HB2 ASN 29 -20.149 10.713 -3.419 200 HB3 ASN 29 HB3 ASN 29 -19.221 9.350 -2.807 201 HD21 ASN 29 HD21 ASN 29 -22.067 9.900 -2.667 202 HD22 ASN 29 HD22 ASN 29 -22.477 9.879 -0.982 203 H TRP 30 H TRP 30 -17.962 10.945 0.182 204 HA TRP 30 HA TRP 30 -15.319 9.849 -0.082 205 HB2 TRP 30 HB2 TRP 30 -17.115 10.435 2.264 206 HB3 TRP 30 HB3 TRP 30 -15.603 9.555 2.465 207 HD1 TRP 30 HD1 TRP 30 -14.706 11.830 -0.130 208 HE1 TRP 30 HE1 TRP 30 -13.623 13.988 0.774 209 HE3 TRP 30 HE3 TRP 30 -16.167 11.470 4.758 210 HZ2 TRP 30 HZ2 TRP 30 -13.431 15.352 3.237 211 HZ3 TRP 30 HZ3 TRP 30 -15.491 13.246 6.322 212 HH2 TRP 30 HH2 TRP 30 -14.152 15.144 5.574 213 H VAL 31 H VAL 31 -14.798 7.774 -0.295 214 HA VAL 31 HA VAL 31 -16.771 5.732 0.492 215 HB VAL 31 HB VAL 31 -14.914 5.361 -1.838 216 HG11 VAL 31 HG11 VAL 31 -16.572 3.717 -2.536 217 HG12 VAL 31 HG12 VAL 31 -15.973 3.382 -0.912 218 HG13 VAL 31 HG13 VAL 31 -17.563 4.114 -1.132 219 HG21 VAL 31 HG21 VAL 31 -16.125 7.359 -2.394 220 HG22 VAL 31 HG22 VAL 31 -16.758 6.014 -3.347 221 HG23 VAL 31 HG23 VAL 31 -17.657 6.602 -1.947 222 H THR 32 H THR 32 -15.968 4.135 1.760 223 HA THR 32 HA THR 32 -13.157 4.190 2.451 224 HB THR 32 HB THR 32 -15.244 2.219 3.400 225 HG1 THR 32 HG1 THR 32 -14.529 4.624 4.760 226 HG21 THR 32 HG21 THR 32 -12.901 1.658 3.897 227 HG22 THR 32 HG22 THR 32 -13.801 2.042 5.364 228 HG23 THR 32 HG23 THR 32 -12.697 3.229 4.672 229 H SER 33 H SER 33 -11.757 3.206 1.094 230 HA SER 33 HA SER 33 -12.634 0.739 -0.244 231 HB2 SER 33 HB2 SER 33 -10.636 1.384 -1.808 232 HB3 SER 33 HB3 SER 33 -12.185 2.211 -1.977 233 HG SER 33 HG SER 33 -11.103 3.967 -1.637 234 H GLU 34 H GLU 34 -11.341 -1.061 -0.227 235 HA GLU 34 HA GLU 34 -8.907 -0.960 1.421 236 HB2 GLU 34 HB2 GLU 34 -10.727 -3.343 1.457 237 HB3 GLU 34 HB3 GLU 34 -9.562 -2.818 2.666 238 HG2 GLU 34 HG2 GLU 34 -11.017 -0.975 3.286 239 HG3 GLU 34 HG3 GLU 34 -12.170 -1.454 2.049 240 H LEU 35 H LEU 35 -7.186 -1.989 0.563 241 HA LEU 35 HA LEU 35 -7.649 -3.923 -1.614 242 HB2 LEU 35 HB2 LEU 35 -6.810 -1.483 -2.250 243 HB3 LEU 35 HB3 LEU 35 -5.267 -2.111 -1.715 244 HG LEU 35 HG LEU 35 -6.942 -3.081 -4.029 245 HD11 LEU 35 HD11 LEU 35 -4.956 -2.491 -5.327 246 HD12 LEU 35 HD12 LEU 35 -5.611 -1.102 -4.460 247 HD13 LEU 35 HD13 LEU 35 -4.170 -1.919 -3.856 248 HD21 LEU 35 HD21 LEU 35 -4.383 -4.295 -2.986 249 HD22 LEU 35 HD22 LEU 35 -5.984 -5.025 -2.868 250 HD23 LEU 35 HD23 LEU 35 -5.246 -4.769 -4.449 251 H ASP 36 H ASP 36 -6.822 -5.795 -1.073 252 HA ASP 36 HA ASP 36 -5.080 -6.140 1.132 253 HB2 ASP 36 HB2 ASP 36 -6.191 -7.926 -1.005 254 HB3 ASP 36 HB3 ASP 36 -4.935 -8.512 0.068 255 H LEU 37 H LEU 37 -3.062 -5.462 1.060 256 HA LEU 37 HA LEU 37 -1.532 -4.957 -1.219 257 HB2 LEU 37 HB2 LEU 37 -0.606 -5.641 1.562 258 HB3 LEU 37 HB3 LEU 37 0.390 -4.930 0.301 259 HG LEU 37 HG LEU 37 -1.934 -3.694 1.703 260 HD11 LEU 37 HD11 LEU 37 -0.263 -2.124 2.448 261 HD12 LEU 37 HD12 LEU 37 0.164 -3.783 2.879 262 HD13 LEU 37 HD13 LEU 37 0.962 -2.995 1.521 263 HD21 LEU 37 HD21 LEU 37 -0.353 -2.622 -0.626 264 HD22 LEU 37 HD22 LEU 37 -2.044 -3.124 -0.661 265 HD23 LEU 37 HD23 LEU 37 -1.561 -1.727 0.301 266 H ASP 38 H ASP 38 -1.532 -7.685 0.998 267 HA ASP 38 HA ASP 38 0.532 -9.117 -0.266 268 HB2 ASP 38 HB2 ASP 38 0.263 -10.637 1.357 269 HB3 ASP 38 HB3 ASP 38 -0.862 -9.478 2.054 270 H THR 39 H THR 39 -2.401 -8.324 -1.506 271 HA THR 39 HA THR 39 -2.638 -10.831 -3.012 272 HB THR 39 HB THR 39 -4.590 -9.310 -1.892 273 HG1 THR 39 HG1 THR 39 -4.809 -11.446 -2.637 274 HG21 THR 39 HG21 THR 39 -4.588 -8.630 -4.831 275 HG22 THR 39 HG22 THR 39 -4.325 -7.502 -3.500 276 HG23 THR 39 HG23 THR 39 -5.892 -8.288 -3.691 277 H ILE 40 H ILE 40 -1.305 -7.737 -3.282 278 HA ILE 40 HA ILE 40 -0.823 -8.163 -6.135 279 HB ILE 40 HB ILE 40 -1.235 -5.696 -6.566 280 HG12 ILE 40 HG13 ILE 40 -3.196 -4.930 -4.935 281 HG13 ILE 40 3HG1 ILE 40 -2.322 -5.956 -3.807 282 HG21 ILE 40 HG21 ILE 40 -3.634 -6.009 -6.935 283 HG22 ILE 40 HG22 ILE 40 -2.705 -7.427 -7.421 284 HG23 ILE 40 HG23 ILE 40 -3.602 -7.438 -5.902 285 HD11 ILE 40 HD11 ILE 40 -0.317 -4.629 -4.151 286 HD12 ILE 40 HD12 ILE 40 -1.186 -3.606 -5.297 287 HD13 ILE 40 HD13 ILE 40 -1.664 -3.634 -3.599 288 H ILE 41 H ILE 41 0.586 -7.907 -3.352 289 HA ILE 41 HA ILE 41 2.812 -6.262 -4.373 290 HB ILE 41 HB ILE 41 1.828 -6.466 -1.525 291 HG12 ILE 41 HG13 ILE 41 1.678 -4.386 -3.659 292 HG13 ILE 41 3HG1 ILE 41 0.492 -4.843 -2.444 293 HG21 ILE 41 HG21 ILE 41 4.254 -5.006 -2.554 294 HG22 ILE 41 HG22 ILE 41 3.631 -4.969 -0.901 295 HG23 ILE 41 HG23 ILE 41 4.268 -6.474 -1.574 296 HD11 ILE 41 HD11 ILE 41 1.764 -3.689 -0.735 297 HD12 ILE 41 HD12 ILE 41 2.986 -3.254 -1.932 298 HD13 ILE 41 HD13 ILE 41 1.351 -2.602 -2.063 299 H GLY 42 H GLY 42 4.748 -7.255 -4.395 300 HA2 GLY 42 HA3 GLY 42 4.948 -9.825 -2.952 301 HA3 GLY 42 HA2 GLY 42 5.518 -9.642 -4.601 302 H ASN 43 H ASN 43 7.152 -10.574 -2.611 303 HA ASN 43 HA ASN 43 8.984 -8.322 -2.139 304 HB2 ASN 43 HB2 ASN 43 8.396 -9.135 -0.008 305 HB3 ASN 43 HB3 ASN 43 8.441 -10.808 -0.533 306 HD21 ASN 43 HD21 ASN 43 9.757 -11.343 1.174 307 HD22 ASN 43 HD22 ASN 43 11.453 -10.963 1.172 308 H ASN 44 H ASN 44 10.476 -8.315 -3.678 309 HA ASN 44 HA ASN 44 11.496 -10.870 -4.699 310 HB2 ASN 44 HB2 ASN 44 10.658 -9.278 -6.375 311 HB3 ASN 44 HB3 ASN 44 11.789 -8.062 -5.796 312 HD21 ASN 44 HD21 ASN 44 12.610 -11.464 -6.114 313 HD22 ASN 44 HD22 ASN 44 13.705 -11.255 -7.445 314 H ASP 45 H ASP 45 12.768 -11.273 -2.832 315 HA ASP 45 HA ASP 45 14.626 -11.246 -1.516 316 HB2 ASP 45 HB2 ASP 45 15.693 -10.450 -4.209 317 HB3 ASP 45 HB3 ASP 45 16.767 -10.611 -2.825 318 H GLY 46 H GLY 46 13.279 -9.193 -0.666 319 HA2 GLY 46 HA3 GLY 46 13.660 -7.306 0.615 320 HA3 GLY 46 HA2 GLY 46 15.330 -7.310 0.062 321 H HIS 47 H HIS 47 12.383 -7.222 -1.878 322 HA HIS 47 HA HIS 47 12.642 -4.413 -2.444 323 HB2 HIS 47 HB2 HIS 47 14.380 -5.316 -3.930 324 HB3 HIS 47 HB3 HIS 47 13.216 -6.432 -4.630 325 HD1 HIS 47 HD1 HIS 47 12.470 -5.661 -6.857 326 HD2 HIS 47 HD2 HIS 47 13.269 -2.473 -4.309 327 HE1 HIS 47 HE1 HIS 47 11.982 -3.590 -8.190 328 HE2 HIS 47 HE2 HIS 47 12.668 -1.679 -6.700 329 H PHE 48 H PHE 48 10.584 -3.825 -2.327 330 HA PHE 48 HA PHE 48 8.396 -5.549 -2.619 331 HB2 PHE 48 HB2 PHE 48 8.606 -2.549 -2.719 332 HB3 PHE 48 HB3 PHE 48 7.064 -3.381 -2.885 333 HD1 PHE 48 HD2 PHE 48 6.372 -4.956 -0.997 334 HD2 PHE 48 HD1 PHE 48 9.471 -2.070 -0.624 335 HE1 PHE 48 HE2 PHE 48 6.161 -5.052 1.453 336 HE2 PHE 48 HE1 PHE 48 9.269 -2.161 1.825 337 HZ PHE 48 HZ PHE 48 7.610 -3.652 2.867 338 H GLN 49 H GLN 49 7.112 -6.112 -4.239 339 HA GLN 49 HA GLN 49 7.723 -5.064 -6.912 340 HB2 GLN 49 HB2 GLN 49 8.610 -7.228 -6.982 341 HB3 GLN 49 HB3 GLN 49 7.340 -7.889 -5.963 342 HG2 GLN 49 HG2 GLN 49 5.749 -7.741 -7.757 343 HG3 GLN 49 HG3 GLN 49 6.918 -6.922 -8.784 344 HE21 GLN 49 HE21 GLN 49 8.655 -8.102 -9.630 345 HE22 GLN 49 HE22 GLN 49 8.614 -9.835 -9.725 346 H TRP 50 H TRP 50 6.028 -3.935 -7.595 347 HA TRP 50 HA TRP 50 3.403 -4.342 -6.571 348 HB2 TRP 50 HB2 TRP 50 4.495 -2.740 -8.887 349 HB3 TRP 50 HB3 TRP 50 2.769 -2.823 -8.540 350 HD1 TRP 50 HD1 TRP 50 5.801 -0.887 -7.640 351 HE1 TRP 50 HE1 TRP 50 5.301 0.680 -5.650 352 HE3 TRP 50 HE3 TRP 50 1.323 -2.853 -6.180 353 HZ2 TRP 50 HZ2 TRP 50 3.268 1.017 -3.721 354 HZ3 TRP 50 HZ3 TRP 50 0.165 -1.859 -4.256 355 HH2 TRP 50 HH2 TRP 50 1.117 0.039 -3.054 356 H GLY 51 H GLY 51 2.224 -6.032 -7.018 357 HA2 GLY 51 HA3 GLY 51 0.885 -7.305 -8.521 358 HA3 GLY 51 HA2 GLY 51 2.075 -7.016 -9.785 359 H GLY 52 H GLY 52 2.811 -8.056 -6.500 360 HA2 GLY 52 HA3 GLY 52 3.903 -10.538 -7.651 361 HA3 GLY 52 HA2 GLY 52 4.492 -9.762 -6.191 362 H GLN 53 H GLN 53 2.249 -9.364 -4.729 363 HA GLN 53 HA GLN 53 0.758 -10.309 -3.326 364 HB2 GLN 53 HB2 GLN 53 -0.669 -11.044 -4.996 365 HB3 GLN 53 HB3 GLN 53 0.505 -12.178 -5.654 366 HG2 GLN 53 HG2 GLN 53 0.172 -13.628 -3.709 367 HG3 GLN 53 HG3 GLN 53 -1.002 -12.482 -3.064 368 HE21 GLN 53 HE21 GLN 53 -1.340 -15.281 -3.792 369 HE22 GLN 53 HE22 GLN 53 -2.603 -15.318 -4.976 370 H ASN 54 H ASN 54 0.766 -11.671 -1.568 371 HA ASN 54 HA ASN 54 1.524 -13.159 -0.033 372 HB2 ASN 54 HB2 ASN 54 2.975 -14.394 -2.377 373 HB3 ASN 54 HB3 ASN 54 2.969 -15.075 -0.755 374 HD21 ASN 54 HD21 ASN 54 0.212 -14.316 -0.235 375 HD22 ASN 54 HD22 ASN 54 -0.770 -15.409 -1.151 376 H PHE 55 H PHE 55 2.835 -10.651 -0.586 377 HA PHE 55 HA PHE 55 5.655 -11.082 -0.279 378 HB2 PHE 55 HB2 PHE 55 5.903 -8.771 -0.380 379 HB3 PHE 55 HB3 PHE 55 4.408 -8.992 -1.271 380 HD1 PHE 55 HD2 PHE 55 2.231 -8.511 -0.152 381 HD2 PHE 55 HD1 PHE 55 5.975 -7.478 1.592 382 HE1 PHE 55 HE2 PHE 55 1.098 -6.899 1.321 383 HE2 PHE 55 HE1 PHE 55 4.848 -5.868 3.066 384 HZ PHE 55 HZ PHE 55 2.407 -5.575 2.932 385 H THR 56 H THR 56 2.906 -10.617 1.772 386 HA THR 56 HA THR 56 4.204 -9.937 4.169 387 HB THR 56 HB THR 56 2.101 -10.789 5.254 388 HG1 THR 56 HG1 THR 56 1.327 -12.352 3.935 389 HG21 THR 56 HG21 THR 56 0.635 -9.087 4.121 390 HG22 THR 56 HG22 THR 56 1.923 -8.869 2.938 391 HG23 THR 56 HG23 THR 56 2.209 -8.485 4.635 392 H GLU 57 H GLU 57 3.727 -12.994 2.565 393 HA GLU 57 HA GLU 57 4.214 -14.603 4.863 394 HB2 GLU 57 HB2 GLU 57 4.121 -16.449 3.449 395 HB3 GLU 57 HB3 GLU 57 3.091 -15.276 2.640 396 HG2 GLU 57 HG2 GLU 57 4.775 -14.797 1.038 397 HG3 GLU 57 HG3 GLU 57 5.958 -15.756 1.926 398 H THR 58 H THR 58 6.179 -12.692 2.924 399 HA THR 58 HA THR 58 8.594 -14.020 3.957 400 HB THR 58 HB THR 58 9.795 -13.273 1.943 401 HG1 THR 58 HG1 THR 58 7.359 -12.011 1.477 402 HG21 THR 58 HG21 THR 58 8.801 -14.825 0.344 403 HG22 THR 58 HG22 THR 58 7.303 -14.843 1.276 404 HG23 THR 58 HG23 THR 58 8.780 -15.515 1.968 405 H ALA 59 H ALA 59 6.726 -11.662 4.641 406 HA ALA 59 HA ALA 59 8.860 -9.695 5.073 407 HB1 ALA 59 HB1 ALA 59 5.960 -9.072 4.518 408 HB2 ALA 59 HB2 ALA 59 7.243 -7.902 4.827 409 HB3 ALA 59 HB3 ALA 59 7.285 -8.891 3.368 410 H GLU 60 H GLU 60 8.598 -8.387 6.945 411 HA GLU 60 HA GLU 60 6.712 -9.240 8.981 412 HB2 GLU 60 HB2 GLU 60 9.153 -9.092 10.359 413 HB3 GLU 60 HB3 GLU 60 8.164 -10.518 10.100 414 HG2 GLU 60 HG2 GLU 60 9.385 -11.018 8.058 415 HG3 GLU 60 HG3 GLU 60 10.359 -9.562 8.266 416 H ASP 61 H ASP 61 7.076 -7.821 11.002 417 HA ASP 61 HA ASP 61 6.925 -5.694 11.851 418 HB2 ASP 61 HB2 ASP 61 9.509 -6.210 11.453 419 HB3 ASP 61 HB3 ASP 61 9.343 -4.915 10.284 420 H ILE 62 H ILE 62 5.178 -5.825 9.857 421 HA ILE 62 HA ILE 62 5.737 -3.850 7.829 422 HB ILE 62 HB ILE 62 3.040 -5.118 8.231 423 HG12 ILE 62 HG13 ILE 62 5.568 -6.341 7.094 424 HG13 ILE 62 3HG1 ILE 62 4.502 -7.009 8.320 425 HG21 ILE 62 HG21 ILE 62 3.267 -3.342 6.578 426 HG22 ILE 62 HG22 ILE 62 4.589 -4.211 5.801 427 HG23 ILE 62 HG23 ILE 62 2.959 -4.889 5.793 428 HD11 ILE 62 HD11 ILE 62 4.250 -8.196 6.243 429 HD12 ILE 62 HD12 ILE 62 2.765 -7.318 6.617 430 HD13 ILE 62 HD13 ILE 62 3.879 -6.694 5.399 431 H ARG 63 H ARG 63 5.599 -1.798 8.274 432 HA ARG 63 HA ARG 63 3.278 -0.821 9.800 433 HB2 ARG 63 HB2 ARG 63 5.000 1.136 10.330 434 HB3 ARG 63 HB3 ARG 63 4.880 -0.295 11.346 435 HG2 ARG 63 HG2 ARG 63 6.722 -0.852 9.262 436 HG3 ARG 63 HG3 ARG 63 7.137 0.712 9.967 437 HD2 ARG 63 HD2 ARG 63 8.178 -1.354 11.019 438 HD3 ARG 63 HD3 ARG 63 7.405 -0.206 12.113 439 HE ARG 63 HE ARG 63 6.359 -2.838 11.319 440 HH11 ARG 63 HH12 ARG 63 6.214 -0.000 13.379 441 HH12 ARG 63 HH11 ARG 63 5.081 -0.710 14.489 442 HH21 ARG 63 HH22 ARG 63 4.877 -3.781 12.801 443 HH22 ARG 63 HH21 ARG 63 4.322 -2.847 14.161 444 H PHE 64 H PHE 64 2.062 0.565 8.703 445 HA PHE 64 HA PHE 64 3.023 1.484 6.115 446 HB2 PHE 64 HB2 PHE 64 0.875 0.423 6.065 447 HB3 PHE 64 HB3 PHE 64 0.273 1.431 7.374 448 HD1 PHE 64 HD1 PHE 64 2.104 2.320 4.248 449 HD2 PHE 64 HD2 PHE 64 -1.465 2.661 6.537 450 HE1 PHE 64 HE1 PHE 64 1.221 3.941 2.625 451 HE2 PHE 64 HE2 PHE 64 -2.346 4.277 4.913 452 HZ PHE 64 HZ PHE 64 -1.011 4.914 2.952 453 H HIS 65 H HIS 65 3.330 3.534 5.541 454 HA HIS 65 HA HIS 65 2.877 5.650 7.554 455 HB2 HIS 65 HB2 HIS 65 5.313 4.838 7.027 456 HB3 HIS 65 HB3 HIS 65 5.108 5.749 5.538 457 HD1 HIS 65 HD1 HIS 65 7.108 7.248 6.430 458 HD2 HIS 65 HD2 HIS 65 3.579 7.450 8.636 459 HE1 HIS 65 HE1 HIS 65 7.367 9.230 7.955 460 HE2 HIS 65 HE2 HIS 65 5.168 9.425 9.173 461 HA PRO 66 HA PRO 66 0.305 6.529 3.763 462 HB2 PRO 66 HB2 PRO 66 -1.296 8.247 5.286 463 HB3 PRO 66 HB3 PRO 66 -1.669 6.594 4.825 464 HG2 PRO 66 HG2 PRO 66 -0.681 7.654 7.390 465 HG3 PRO 66 HG3 PRO 66 -1.655 6.208 7.063 466 HD2 PRO 66 HD2 PRO 66 0.979 6.126 7.736 467 HD3 PRO 66 HD3 PRO 66 0.190 4.896 6.730 468 H LYS 67 H LYS 67 1.237 8.773 6.235 469 HA LYS 67 HA LYS 67 1.794 10.762 4.128 470 HB2 LYS 67 HB2 LYS 67 1.205 11.537 6.979 471 HB3 LYS 67 HB3 LYS 67 1.133 12.533 5.536 472 HG2 LYS 67 HG2 LYS 67 -1.086 12.262 5.916 473 HG3 LYS 67 HG3 LYS 67 -0.805 10.838 4.910 474 HD2 LYS 67 HD2 LYS 67 -0.695 9.414 6.813 475 HD3 LYS 67 HD3 LYS 67 -0.652 10.790 7.920 476 HE2 LYS 67 HE2 LYS 67 -2.942 11.402 7.060 477 HE3 LYS 67 HE3 LYS 67 -2.961 9.846 6.233 478 HZ1 LYS 67 HZ1 LYS 67 -2.775 8.719 8.332 479 HZ2 LYS 67 HZ2 LYS 67 -4.073 9.807 8.419 480 HZ3 LYS 67 HZ3 LYS 67 -2.597 10.186 9.161 481 H GLU 68 H GLU 68 3.910 9.905 3.973 482 HA GLU 68 HA GLU 68 5.644 9.703 6.180 483 HB2 GLU 68 HB2 GLU 68 6.136 8.495 4.166 484 HB3 GLU 68 HB3 GLU 68 6.262 9.990 3.248 485 HG2 GLU 68 HG2 GLU 68 8.366 10.337 3.873 486 HG3 GLU 68 HG3 GLU 68 8.023 9.926 5.556 487 H GLY 69 H GLY 69 6.123 11.308 7.441 488 HA2 GLY 69 HA3 GLY 69 6.832 13.328 8.218 489 HA3 GLY 69 HA2 GLY 69 7.920 13.288 6.843 490 H ALA 70 H ALA 70 7.912 15.375 6.280 491 HA ALA 70 HA ALA 70 5.465 16.888 6.085 492 HB1 ALA 70 HB1 ALA 70 8.272 17.604 5.229 493 HB2 ALA 70 HB2 ALA 70 6.904 18.713 5.328 494 HB3 ALA 70 HB3 ALA 70 7.542 17.968 6.794 495 H ALA 71 H ALA 71 7.032 14.658 4.140 496 HA ALA 71 HA ALA 71 6.399 15.846 1.595 497 HB1 ALA 71 HB1 ALA 71 7.229 13.027 2.323 498 HB2 ALA 71 HB2 ALA 71 7.071 13.651 0.678 499 HB3 ALA 71 HB3 ALA 71 8.285 14.325 1.764 500 H GLU 72 H GLU 72 4.871 13.889 3.956 501 HA GLU 72 HA GLU 72 2.876 12.824 4.127 502 HB2 GLU 72 HB2 GLU 72 2.057 14.931 2.115 503 HB3 GLU 72 HB3 GLU 72 0.950 13.954 3.068 504 HG2 GLU 72 HG2 GLU 72 1.912 14.934 5.122 505 HG3 GLU 72 HG3 GLU 72 2.920 15.972 4.116 506 H GLN 73 H GLN 73 4.663 11.602 2.490 507 HA GLN 73 HA GLN 73 3.184 10.763 0.108 508 HB2 GLN 73 HB2 GLN 73 5.520 11.532 -0.175 509 HB3 GLN 73 HB3 GLN 73 6.058 10.247 0.893 510 HG2 GLN 73 HG2 GLN 73 5.338 8.573 -0.681 511 HG3 GLN 73 HG3 GLN 73 4.648 9.812 -1.728 512 HE21 GLN 73 HE21 GLN 73 7.582 8.359 -0.557 513 HE22 GLN 73 HE22 GLN 73 8.630 9.038 -1.751 514 HA PRO 74 HA PRO 74 2.070 7.099 2.371 515 HB2 PRO 74 HB2 PRO 74 0.818 5.842 0.314 516 HB3 PRO 74 HB3 PRO 74 0.068 7.139 1.249 517 HG2 PRO 74 HG2 PRO 74 1.394 7.257 -1.427 518 HG3 PRO 74 HG3 PRO 74 -0.082 8.066 -0.872 519 HD2 PRO 74 HD2 PRO 74 2.316 9.325 -1.040 520 HD3 PRO 74 HD3 PRO 74 1.093 9.762 0.170 521 H ILE 75 H ILE 75 3.790 5.888 2.807 522 HA ILE 75 HA ILE 75 4.726 4.109 0.686 523 HB ILE 75 HB ILE 75 7.012 4.402 1.082 524 HG12 ILE 75 HG13 ILE 75 7.507 6.297 2.997 525 HG13 ILE 75 3HG1 ILE 75 6.160 5.406 3.703 526 HG21 ILE 75 HG21 ILE 75 7.436 6.819 0.809 527 HG22 ILE 75 HG22 ILE 75 6.143 6.215 -0.228 528 HG23 ILE 75 HG23 ILE 75 5.749 7.131 1.228 529 HD11 ILE 75 HD11 ILE 75 7.391 3.331 3.490 530 HD12 ILE 75 HD12 ILE 75 8.724 4.187 2.712 531 HD13 ILE 75 HD13 ILE 75 8.330 4.522 4.396 532 H LEU 76 H LEU 76 5.247 2.082 1.351 533 HA LEU 76 HA LEU 76 4.611 1.472 4.160 534 HB2 LEU 76 HB2 LEU 76 2.973 0.615 2.551 535 HB3 LEU 76 HB3 LEU 76 4.244 -0.196 1.665 536 HG LEU 76 HG LEU 76 2.673 -1.516 3.291 537 HD11 LEU 76 HD11 LEU 76 4.521 -2.484 2.010 538 HD12 LEU 76 HD12 LEU 76 5.653 -1.957 3.257 539 HD13 LEU 76 HD13 LEU 76 4.427 -3.167 3.634 540 HD21 LEU 76 HD21 LEU 76 3.588 -1.787 5.516 541 HD22 LEU 76 HD22 LEU 76 4.816 -0.567 5.176 542 HD23 LEU 76 HD23 LEU 76 3.112 -0.112 5.240 543 H ARG 77 H ARG 77 6.200 0.595 5.362 544 HA ARG 77 HA ARG 77 8.442 -0.640 3.927 545 HB2 ARG 77 HB2 ARG 77 10.046 0.297 5.377 546 HB3 ARG 77 HB3 ARG 77 8.981 1.627 4.956 547 HG2 ARG 77 HG2 ARG 77 8.591 0.058 7.477 548 HG3 ARG 77 HG3 ARG 77 9.737 1.394 7.384 549 HD2 ARG 77 HD2 ARG 77 6.821 1.594 6.689 550 HD3 ARG 77 HD3 ARG 77 7.500 2.033 8.257 551 HE ARG 77 HE ARG 77 7.758 3.494 5.759 552 HH11 ARG 77 HH12 ARG 77 8.839 3.107 9.069 553 HH12 ARG 77 HH11 ARG 77 9.465 4.728 9.186 554 HH21 ARG 77 HH22 ARG 77 8.599 5.645 5.921 555 HH22 ARG 77 HH21 ARG 77 9.312 6.162 7.421 556 H ALA 78 H ALA 78 9.292 -2.451 4.760 557 HA ALA 78 HA ALA 78 8.534 -3.542 7.309 558 HB1 ALA 78 HB1 ALA 78 7.404 -5.524 6.450 559 HB2 ALA 78 HB2 ALA 78 6.525 -4.064 5.999 560 HB3 ALA 78 HB3 ALA 78 7.524 -4.896 4.806 561 H ARG 79 H ARG 79 9.437 -5.877 7.471 562 HA ARG 79 HA ARG 79 12.139 -5.828 6.393 563 HB2 ARG 79 HB2 ARG 79 11.027 -8.109 8.005 564 HB3 ARG 79 HB3 ARG 79 12.678 -7.522 7.929 565 HG2 ARG 79 HG2 ARG 79 10.354 -6.326 9.409 566 HG3 ARG 79 HG3 ARG 79 11.851 -6.984 10.070 567 HD2 ARG 79 HD2 ARG 79 13.102 -5.165 8.969 568 HD3 ARG 79 HD3 ARG 79 11.570 -4.512 8.389 569 HE ARG 79 HE ARG 79 10.988 -4.309 10.838 570 HH11 ARG 79 HH12 ARG 79 14.297 -4.145 9.698 571 HH12 ARG 79 HH11 ARG 79 14.809 -3.068 10.959 572 HH21 ARG 79 HH22 ARG 79 11.634 -2.911 12.475 573 HH22 ARG 79 HH21 ARG 79 13.290 -2.363 12.554 574 H LEU 80 H LEU 80 12.540 -6.689 4.458 575 HA LEU 80 HA LEU 80 10.724 -8.752 3.444 576 HB2 LEU 80 HB2 LEU 80 12.348 -6.603 2.231 577 HB3 LEU 80 HB3 LEU 80 12.226 -8.091 1.309 578 HG LEU 80 HG LEU 80 9.906 -7.882 1.068 579 HD11 LEU 80 HD11 LEU 80 9.320 -7.339 3.340 580 HD12 LEU 80 HD12 LEU 80 9.949 -5.702 3.124 581 HD13 LEU 80 HD13 LEU 80 8.536 -6.232 2.210 582 HD21 LEU 80 HD21 LEU 80 11.131 -6.386 -0.373 583 HD22 LEU 80 HD22 LEU 80 9.586 -5.669 0.086 584 HD23 LEU 80 HD23 LEU 80 11.077 -5.127 0.860 585 H ARG 81 H ARG 81 11.323 -10.762 3.321 586 HA ARG 81 HA ARG 81 13.997 -11.569 4.001 587 HB2 ARG 81 HB2 ARG 81 12.200 -12.880 4.887 588 HB3 ARG 81 HB3 ARG 81 11.486 -13.099 3.301 589 HG2 ARG 81 HG2 ARG 81 14.229 -14.140 3.681 590 HG3 ARG 81 HG3 ARG 81 12.937 -14.983 4.523 591 HD2 ARG 81 HD2 ARG 81 11.728 -15.035 2.270 592 HD3 ARG 81 HD3 ARG 81 13.268 -14.517 1.580 593 HE ARG 81 HE ARG 81 14.144 -16.631 2.749 594 HH11 ARG 81 HH12 ARG 81 11.014 -16.310 1.197 595 HH12 ARG 81 HH11 ARG 81 10.908 -17.992 0.769 596 HH21 ARG 81 HH22 ARG 81 14.004 -18.846 2.202 597 HH22 ARG 81 HH21 ARG 81 12.590 -19.439 1.372 598 H ASP 82 H ASP 82 15.509 -12.565 2.742 599 HA ASP 82 HA ASP 82 15.053 -12.380 -0.165 600 HB2 ASP 82 HB2 ASP 82 17.309 -11.949 -0.458 601 HB3 ASP 82 HB3 ASP 82 17.016 -11.178 1.099 602 H CYS 83 H CYS 83 16.431 -14.095 -1.414 603 HA CYS 83 HA CYS 83 15.354 -16.603 -0.885 604 HB2 CYS 83 HB2 CYS 83 17.805 -15.896 -2.499 605 HB3 CYS 83 HB3 CYS 83 17.024 -17.473 -2.521 606 HG CYS 83 HG CYS 83 15.834 -14.513 -3.730 607 H ASN 84 H ASN 84 18.263 -15.163 0.396 608 HA ASN 84 HA ASN 84 19.513 -17.606 1.194 609 HB2 ASN 84 HB2 ASN 84 20.750 -15.470 0.953 610 HB3 ASN 84 HB3 ASN 84 19.876 -14.824 2.336 611 HD21 ASN 84 HD21 ASN 84 21.790 -14.472 3.437 612 HD22 ASN 84 HD22 ASN 84 22.695 -15.764 4.149 613 H GLY 85 H GLY 85 17.061 -15.552 2.527 614 HA2 GLY 85 HA3 GLY 85 15.420 -16.472 3.997 615 HA3 GLY 85 HA2 GLY 85 16.654 -17.535 4.661 616 H GLU 86 H GLU 86 16.888 -14.059 4.103 617 HA GLU 86 HA GLU 86 17.022 -13.722 7.031 618 HB2 GLU 86 HB2 GLU 86 18.775 -12.129 6.820 619 HB3 GLU 86 HB3 GLU 86 19.247 -13.532 5.879 620 HG2 GLU 86 HG2 GLU 86 18.634 -12.401 3.830 621 HG3 GLU 86 HG3 GLU 86 18.088 -10.999 4.753 622 H PHE 87 H PHE 87 17.130 -10.903 7.002 623 HA PHE 87 HA PHE 87 14.769 -10.112 5.490 624 HB2 PHE 87 HB2 PHE 87 13.601 -9.212 7.419 625 HB3 PHE 87 HB3 PHE 87 13.887 -10.931 7.649 626 HD1 PHE 87 HD2 PHE 87 15.668 -11.675 9.222 627 HD2 PHE 87 HD1 PHE 87 14.462 -7.609 8.911 628 HE1 PHE 87 HE2 PHE 87 16.700 -11.206 11.406 629 HE2 PHE 87 HE1 PHE 87 15.490 -7.131 11.091 630 HZ PHE 87 HZ PHE 87 16.611 -8.931 12.343 631 H HIS 88 H HIS 88 14.617 -8.131 4.943 632 HA HIS 88 HA HIS 88 16.563 -6.173 5.921 633 HB2 HIS 88 HB2 HIS 88 16.260 -7.227 3.143 634 HB3 HIS 88 HB3 HIS 88 16.624 -5.532 3.353 635 HD1 HIS 88 HD1 HIS 88 18.997 -4.898 4.107 636 HD2 HIS 88 HD2 HIS 88 18.316 -9.000 3.904 637 HE1 HIS 88 HE1 HIS 88 21.262 -5.982 4.317 638 HE2 HIS 88 HE2 HIS 88 20.793 -8.456 4.393 639 H ASP 89 H ASP 89 15.323 -4.552 6.657 640 HA ASP 89 HA ASP 89 12.635 -4.193 5.869 641 HB2 ASP 89 HB2 ASP 89 12.762 -2.027 7.125 642 HB3 ASP 89 HB3 ASP 89 13.233 -3.446 8.046 643 H ARG 90 H ARG 90 11.944 -3.559 4.009 644 HA ARG 90 HA ARG 90 13.441 -1.464 2.568 645 HB2 ARG 90 HB2 ARG 90 11.638 -3.651 1.519 646 HB3 ARG 90 HB3 ARG 90 12.325 -2.372 0.526 647 HG2 ARG 90 HG2 ARG 90 13.829 -4.501 2.022 648 HG3 ARG 90 HG3 ARG 90 13.613 -4.372 0.273 649 HD2 ARG 90 HD2 ARG 90 14.765 -2.129 0.429 650 HD3 ARG 90 HD3 ARG 90 15.187 -2.558 2.088 651 HE ARG 90 HE ARG 90 16.033 -4.681 0.620 652 HH11 ARG 90 HH12 ARG 90 16.615 -1.237 0.507 653 HH12 ARG 90 HH11 ARG 90 18.171 -1.388 -0.252 654 HH21 ARG 90 HH22 ARG 90 18.069 -4.907 -0.383 655 HH22 ARG 90 HH21 ARG 90 19.006 -3.483 -0.755 656 H ASP 91 H ASP 91 11.779 -0.389 0.920 657 HA ASP 91 HA ASP 91 9.250 0.143 2.242 658 HB2 ASP 91 HB2 ASP 91 9.566 2.580 2.118 659 HB3 ASP 91 HB3 ASP 91 10.749 1.836 3.186 660 H VAL 92 H VAL 92 7.701 0.970 0.854 661 HA VAL 92 HA VAL 92 8.480 1.136 -1.969 662 HB VAL 92 HB VAL 92 7.587 -1.125 -1.483 663 HG11 VAL 92 HG11 VAL 92 6.004 -0.584 0.272 664 HG12 VAL 92 HG12 VAL 92 5.022 0.326 -0.877 665 HG13 VAL 92 HG13 VAL 92 5.196 -1.419 -1.057 666 HG21 VAL 92 HG21 VAL 92 7.464 -0.274 -3.698 667 HG22 VAL 92 HG22 VAL 92 5.979 -1.160 -3.346 668 HG23 VAL 92 HG23 VAL 92 5.978 0.604 -3.327 669 H ASN 93 H ASN 93 7.185 2.415 -3.244 670 HA ASN 93 HA ASN 93 5.817 4.523 -1.793 671 HB2 ASN 93 HB2 ASN 93 6.857 4.183 -4.569 672 HB3 ASN 93 HB3 ASN 93 5.627 5.398 -4.264 673 HD21 ASN 93 HD21 ASN 93 8.060 4.455 -1.945 674 HD22 ASN 93 HD22 ASN 93 8.935 5.943 -1.960 675 H LEU 94 H LEU 94 3.777 4.236 -1.287 676 HA LEU 94 HA LEU 94 2.095 2.451 -2.778 677 HB2 LEU 94 HB2 LEU 94 1.497 4.272 -0.453 678 HB3 LEU 94 HB3 LEU 94 0.332 3.170 -1.162 679 HG LEU 94 HG LEU 94 2.659 2.607 0.599 680 HD11 LEU 94 HD11 LEU 94 0.379 2.632 1.461 681 HD12 LEU 94 HD12 LEU 94 -0.075 1.377 0.308 682 HD13 LEU 94 HD13 LEU 94 1.096 1.025 1.579 683 HD21 LEU 94 HD21 LEU 94 3.228 1.337 -1.407 684 HD22 LEU 94 HD22 LEU 94 2.728 0.265 -0.097 685 HD23 LEU 94 HD23 LEU 94 1.615 0.621 -1.418 686 H ASN 95 H ASN 95 3.078 5.483 -3.458 687 HA ASN 95 HA ASN 95 0.744 6.841 -4.211 688 HB2 ASN 95 HB2 ASN 95 3.359 6.996 -5.718 689 HB3 ASN 95 HB3 ASN 95 2.125 8.246 -5.575 690 HD21 ASN 95 HD21 ASN 95 4.946 6.937 -4.320 691 HD22 ASN 95 HD22 ASN 95 5.078 7.902 -2.908 692 H ARG 96 H ARG 96 2.100 4.008 -5.416 693 HA ARG 96 HA ARG 96 1.313 4.172 -8.138 694 HB2 ARG 96 HB2 ARG 96 2.097 1.955 -6.286 695 HB3 ARG 96 HB3 ARG 96 1.349 1.555 -7.822 696 HG2 ARG 96 HG2 ARG 96 3.800 1.461 -7.896 697 HG3 ARG 96 HG3 ARG 96 3.129 2.632 -9.028 698 HD2 ARG 96 HD2 ARG 96 3.975 3.537 -6.310 699 HD3 ARG 96 HD3 ARG 96 5.199 3.242 -7.549 700 HE ARG 96 HE ARG 96 3.008 4.934 -8.379 701 HH11 ARG 96 HH12 ARG 96 6.229 4.775 -7.027 702 HH12 ARG 96 HH11 ARG 96 6.606 6.435 -7.379 703 HH21 ARG 96 HH22 ARG 96 3.486 7.131 -8.839 704 HH22 ARG 96 HH21 ARG 96 5.045 7.776 -8.396 705 H ILE 97 H ILE 97 -0.360 3.729 -5.208 706 HA ILE 97 HA ILE 97 -2.595 2.350 -6.420 707 HB ILE 97 HB ILE 97 -2.307 3.510 -3.642 708 HG12 ILE 97 HG13 ILE 97 -2.176 0.589 -4.239 709 HG13 ILE 97 3HG1 ILE 97 -0.760 1.566 -4.610 710 HG21 ILE 97 HG21 ILE 97 -4.302 1.568 -4.815 711 HG22 ILE 97 HG22 ILE 97 -4.153 1.945 -3.098 712 HG23 ILE 97 HG23 ILE 97 -4.630 3.203 -4.239 713 HD11 ILE 97 HD11 ILE 97 -0.645 2.310 -2.315 714 HD12 ILE 97 HD12 ILE 97 -2.093 1.376 -1.928 715 HD13 ILE 97 HD13 ILE 97 -0.613 0.548 -2.411 716 H GLN 98 H GLN 98 -4.199 3.333 -7.384 717 HA GLN 98 HA GLN 98 -4.698 6.175 -6.831 718 HB2 GLN 98 HB2 GLN 98 -5.140 4.607 -9.380 719 HB3 GLN 98 HB3 GLN 98 -5.551 6.295 -9.145 720 HG2 GLN 98 HG2 GLN 98 -3.221 6.868 -8.868 721 HG3 GLN 98 HG3 GLN 98 -2.769 5.168 -8.982 722 HE21 GLN 98 HE21 GLN 98 -3.836 7.974 -10.721 723 HE22 GLN 98 HE22 GLN 98 -3.541 7.357 -12.305 724 H ASN 99 H ASN 99 -7.009 6.785 -7.229 725 HA ASN 99 HA ASN 99 -8.765 4.635 -6.276 726 HB2 ASN 99 HB2 ASN 99 -8.658 6.434 -4.689 727 HB3 ASN 99 HB3 ASN 99 -8.932 7.637 -5.945 728 HD21 ASN 99 HD21 ASN 99 -10.995 7.936 -6.753 729 HD22 ASN 99 HD22 ASN 99 -12.390 7.327 -5.947 730 H VAL 100 H VAL 100 -10.166 3.868 -7.675 731 HA VAL 100 HA VAL 100 -10.946 5.563 -9.955 732 HB VAL 100 HB VAL 100 -10.898 2.542 -9.836 733 HG11 VAL 100 HG11 VAL 100 -11.345 2.660 -12.248 734 HG12 VAL 100 HG12 VAL 100 -12.650 3.377 -11.301 735 HG13 VAL 100 HG13 VAL 100 -11.488 4.415 -12.125 736 HG21 VAL 100 HG21 VAL 100 -8.650 3.513 -9.872 737 HG22 VAL 100 HG22 VAL 100 -9.024 2.687 -11.385 738 HG23 VAL 100 HG23 VAL 100 -9.079 4.449 -11.305 739 H ASN 101 H ASN 101 -12.722 6.522 -9.104 740 HA ASN 101 HA ASN 101 -14.896 6.812 -8.563 741 HB2 ASN 101 HB2 ASN 101 -15.154 5.290 -10.580 742 HB3 ASN 101 HB3 ASN 101 -15.383 3.970 -9.437 743 HD21 ASN 101 HD21 ASN 101 -17.469 3.571 -10.121 744 HD22 ASN 101 HD22 ASN 101 -18.786 4.640 -9.762 745 H GLY 102 H GLY 102 -12.979 5.468 -6.620 746 HA2 GLY 102 HA3 GLY 102 -13.666 5.440 -4.272 747 HA3 GLY 102 HA2 GLY 102 -15.116 4.599 -4.787 748 H ARG 103 H ARG 103 -12.241 3.566 -6.309 749 HA ARG 103 HA ARG 103 -11.981 1.358 -4.389 750 HB2 ARG 103 HB2 ARG 103 -11.854 -0.260 -6.117 751 HB3 ARG 103 HB3 ARG 103 -13.249 0.741 -6.501 752 HG2 ARG 103 HG2 ARG 103 -11.927 1.978 -8.132 753 HG3 ARG 103 HG3 ARG 103 -10.518 0.989 -7.743 754 HD2 ARG 103 HD2 ARG 103 -11.529 0.158 -9.752 755 HD3 ARG 103 HD3 ARG 103 -11.784 -1.011 -8.459 756 HE ARG 103 HE ARG 103 -13.969 0.821 -8.741 757 HH11 ARG 103 HH12 ARG 103 -12.531 -2.130 -9.966 758 HH12 ARG 103 HH11 ARG 103 -14.034 -2.761 -10.578 759 HH21 ARG 103 HH22 ARG 103 -15.958 -0.007 -9.571 760 HH22 ARG 103 HH21 ARG 103 -15.971 -1.555 -10.355 761 H LEU 104 H LEU 104 -9.909 0.612 -4.047 762 HA LEU 104 HA LEU 104 -7.780 2.374 -4.946 763 HB2 LEU 104 HB2 LEU 104 -7.776 0.081 -2.969 764 HB3 LEU 104 HB3 LEU 104 -6.392 1.097 -3.325 765 HG LEU 104 HG LEU 104 -8.972 1.971 -2.031 766 HD11 LEU 104 HD11 LEU 104 -7.519 0.680 -0.566 767 HD12 LEU 104 HD12 LEU 104 -6.166 1.744 -0.954 768 HD13 LEU 104 HD13 LEU 104 -7.563 2.374 -0.080 769 HD21 LEU 104 HD21 LEU 104 -8.106 3.737 -3.461 770 HD22 LEU 104 HD22 LEU 104 -7.878 4.148 -1.760 771 HD23 LEU 104 HD23 LEU 104 -6.513 3.575 -2.722 772 H VAL 105 H VAL 105 -6.274 1.826 -6.419 773 HA VAL 105 HA VAL 105 -5.922 -0.976 -7.138 774 HB VAL 105 HB VAL 105 -7.692 -0.161 -8.643 775 HG11 VAL 105 HG11 VAL 105 -5.637 1.811 -9.627 776 HG12 VAL 105 HG12 VAL 105 -7.225 1.525 -10.339 777 HG13 VAL 105 HG13 VAL 105 -7.096 2.199 -8.714 778 HG21 VAL 105 HG21 VAL 105 -6.647 -0.836 -10.757 779 HG22 VAL 105 HG22 VAL 105 -5.057 -0.681 -10.010 780 HG23 VAL 105 HG23 VAL 105 -6.193 -1.896 -9.422 781 H PHE 106 H PHE 106 -3.866 -1.450 -7.537 782 HA PHE 106 HA PHE 106 -1.871 0.629 -7.356 783 HB2 PHE 106 HB2 PHE 106 -0.301 -1.111 -7.052 784 HB3 PHE 106 HB3 PHE 106 -1.760 -1.695 -6.257 785 HD1 PHE 106 HD2 PHE 106 -3.343 -3.152 -7.801 786 HD2 PHE 106 HD1 PHE 106 0.809 -2.511 -8.489 787 HE1 PHE 106 HE2 PHE 106 -3.263 -5.178 -9.191 788 HE2 PHE 106 HE1 PHE 106 0.894 -4.536 -9.883 789 HZ PHE 106 HZ PHE 106 -1.142 -5.872 -10.236 790 H GLN 107 H GLN 107 -0.374 1.200 -8.947 791 HA GLN 107 HA GLN 107 -1.237 1.039 -11.643 792 HB2 GLN 107 HB2 GLN 107 1.437 1.872 -10.499 793 HB3 GLN 107 HB3 GLN 107 0.980 2.059 -12.186 794 HG2 GLN 107 HG2 GLN 107 -0.832 3.555 -11.533 795 HG3 GLN 107 HG3 GLN 107 -0.387 3.357 -9.839 796 HE21 GLN 107 HE21 GLN 107 0.425 4.811 -12.868 797 HE22 GLN 107 HE22 GLN 107 1.661 5.874 -12.273 Start of MODEL 6 1 H MET 1 H MET 1 -3.177 11.827 -10.252 2 HA MET 1 HA MET 1 -1.027 12.067 -9.286 3 HB2 MET 1 HB2 MET 1 -1.509 13.857 -7.715 4 HB3 MET 1 HB3 MET 1 -2.572 12.807 -6.792 5 HG2 MET 1 HG2 MET 1 -0.439 13.112 -5.679 6 HG3 MET 1 HG3 MET 1 -0.683 11.429 -6.140 7 HE1 MET 1 HE1 MET 1 1.878 10.865 -5.796 8 HE2 MET 1 HE2 MET 1 3.186 11.834 -6.471 9 HE3 MET 1 HE3 MET 1 2.122 12.523 -5.246 10 H SER 2 H SER 2 -3.024 10.980 -6.595 11 HA SER 2 HA SER 2 -2.937 8.209 -7.406 12 HB2 SER 2 HB2 SER 2 -1.545 9.040 -4.844 13 HB3 SER 2 HB3 SER 2 -1.647 7.417 -5.523 14 HG SER 2 HG SER 2 -0.140 7.893 -6.964 15 H TYR 3 H TYR 3 -3.666 6.971 -5.092 16 HA TYR 3 HA TYR 3 -6.288 7.959 -4.666 17 HB2 TYR 3 HB2 TYR 3 -6.626 6.126 -3.226 18 HB3 TYR 3 HB3 TYR 3 -5.451 5.541 -4.395 19 HD1 TYR 3 HD2 TYR 3 -2.931 5.764 -3.655 20 HD2 TYR 3 HD1 TYR 3 -6.236 5.813 -0.981 21 HE1 TYR 3 HE2 TYR 3 -1.443 5.126 -1.810 22 HE2 TYR 3 HE1 TYR 3 -4.760 5.179 0.876 23 HH TYR 3 HH TYR 3 -2.580 4.043 1.182 24 H ALA 4 H ALA 4 -3.261 8.301 -2.980 25 HA ALA 4 HA ALA 4 -4.058 9.355 -0.547 26 HB1 ALA 4 HB1 ALA 4 -1.596 10.066 -2.126 27 HB2 ALA 4 HB2 ALA 4 -1.827 10.296 -0.393 28 HB3 ALA 4 HB3 ALA 4 -1.773 8.668 -1.067 29 H ASP 5 H ASP 5 -4.082 10.835 -3.665 30 HA ASP 5 HA ASP 5 -3.942 13.544 -2.992 31 HB2 ASP 5 HB2 ASP 5 -3.781 12.792 -5.287 32 HB3 ASP 5 HB3 ASP 5 -5.419 12.155 -5.236 33 H SER 6 H SER 6 -6.479 11.242 -2.546 34 HA SER 6 HA SER 6 -8.075 13.266 -1.190 35 HB2 SER 6 HB2 SER 6 -9.208 11.505 -3.381 36 HB3 SER 6 HB3 SER 6 -10.140 12.593 -2.354 37 HG SER 6 HG SER 6 -8.112 13.944 -3.470 38 H SER 7 H SER 7 -6.516 11.142 -0.143 39 HA SER 7 HA SER 7 -8.594 9.251 0.759 40 HB2 SER 7 HB2 SER 7 -6.824 7.623 1.145 41 HB3 SER 7 HB3 SER 7 -6.752 8.199 -0.521 42 HG SER 7 HG SER 7 -5.226 9.519 1.418 43 H ARG 8 H ARG 8 -8.450 8.473 2.925 44 HA ARG 8 HA ARG 8 -6.765 9.862 4.831 45 HB2 ARG 8 HB2 ARG 8 -8.425 10.951 6.069 46 HB3 ARG 8 HB3 ARG 8 -8.875 11.301 4.407 47 HG2 ARG 8 HG2 ARG 8 -10.245 8.985 4.906 48 HG3 ARG 8 HG3 ARG 8 -10.307 9.813 6.464 49 HD2 ARG 8 HD2 ARG 8 -12.212 10.423 5.069 50 HD3 ARG 8 HD3 ARG 8 -11.167 11.818 5.360 51 HE ARG 8 HE ARG 8 -11.168 10.246 2.866 52 HH11 ARG 8 HH12 ARG 8 -10.854 13.272 4.594 53 HH12 ARG 8 HH11 ARG 8 -10.500 14.207 3.166 54 HH21 ARG 8 HH22 ARG 8 -10.704 11.467 0.976 55 HH22 ARG 8 HH21 ARG 8 -10.442 13.181 1.104 56 H ASN 9 H ASN 9 -7.201 9.028 7.059 57 HA ASN 9 HA ASN 9 -7.207 7.271 8.488 58 HB2 ASN 9 HB2 ASN 9 -9.764 6.820 6.959 59 HB3 ASN 9 HB3 ASN 9 -9.300 5.810 8.329 60 HD21 ASN 9 HD21 ASN 9 -11.553 7.672 7.970 61 HD22 ASN 9 HD22 ASN 9 -11.431 8.797 9.289 62 H ALA 10 H ALA 10 -5.648 6.954 6.166 63 HA ALA 10 HA ALA 10 -5.942 4.268 5.199 64 HB1 ALA 10 HB1 ALA 10 -3.573 6.098 4.877 65 HB2 ALA 10 HB2 ALA 10 -4.000 4.707 3.882 66 HB3 ALA 10 HB3 ALA 10 -5.004 6.156 3.851 67 H VAL 11 H VAL 11 -5.448 2.577 6.367 68 HA VAL 11 HA VAL 11 -2.973 2.533 7.932 69 HB VAL 11 HB VAL 11 -5.560 1.518 9.127 70 HG11 VAL 11 HG11 VAL 11 -3.554 0.444 9.951 71 HG12 VAL 11 HG12 VAL 11 -2.838 2.012 10.323 72 HG13 VAL 11 HG13 VAL 11 -4.262 1.460 11.206 73 HG21 VAL 11 HG21 VAL 11 -4.195 4.135 9.742 74 HG22 VAL 11 HG22 VAL 11 -5.751 3.939 8.937 75 HG23 VAL 11 HG23 VAL 11 -5.562 3.452 10.622 76 H LEU 12 H LEU 12 -2.189 0.386 8.276 77 HA LEU 12 HA LEU 12 -3.092 -1.490 6.259 78 HB2 LEU 12 HB2 LEU 12 -0.620 -0.920 7.531 79 HB3 LEU 12 HB3 LEU 12 -1.051 -2.564 7.957 80 HG LEU 12 HG LEU 12 -1.097 -3.246 5.676 81 HD11 LEU 12 HD11 LEU 12 -0.763 -0.333 4.971 82 HD12 LEU 12 HD12 LEU 12 -0.720 -1.676 3.828 83 HD13 LEU 12 HD13 LEU 12 -2.204 -1.316 4.708 84 HD21 LEU 12 HD21 LEU 12 1.116 -3.083 6.673 85 HD22 LEU 12 HD22 LEU 12 1.174 -2.718 4.949 86 HD23 LEU 12 HD23 LEU 12 1.248 -1.410 6.130 87 H THR 13 H THR 13 -3.879 -3.523 6.668 88 HA THR 13 HA THR 13 -4.625 -4.172 9.432 89 HB THR 13 HB THR 13 -6.435 -4.604 7.041 90 HG1 THR 13 HG1 THR 13 -5.995 -2.333 8.580 91 HG21 THR 13 HG21 THR 13 -7.003 -4.569 10.013 92 HG22 THR 13 HG22 THR 13 -6.843 -6.019 9.023 93 HG23 THR 13 HG23 THR 13 -8.172 -4.894 8.733 94 H ASN 14 H ASN 14 -5.167 -6.508 9.657 95 HA ASN 14 HA ASN 14 -4.911 -8.747 9.263 96 HB2 ASN 14 HB2 ASN 14 -5.401 -7.844 6.798 97 HB3 ASN 14 HB3 ASN 14 -3.731 -8.338 6.562 98 HD21 ASN 14 HD21 ASN 14 -3.890 -10.564 8.435 99 HD22 ASN 14 HD22 ASN 14 -4.817 -11.793 7.634 100 H GLY 15 H GLY 15 -2.617 -6.542 9.601 101 HA2 GLY 15 HA3 GLY 15 -0.520 -6.953 10.624 102 HA3 GLY 15 HA2 GLY 15 -0.514 -8.556 9.898 103 H GLY 16 H GLY 16 -1.410 -5.857 7.985 104 HA2 GLY 16 HA3 GLY 16 -0.036 -4.530 6.577 105 HA3 GLY 16 HA2 GLY 16 1.274 -5.677 6.822 106 H ARG 17 H ARG 17 -1.792 -7.046 6.223 107 HA ARG 17 HA ARG 17 -0.882 -7.832 3.557 108 HB2 ARG 17 HB2 ARG 17 -3.241 -9.065 4.935 109 HB3 ARG 17 HB3 ARG 17 -2.159 -9.773 3.747 110 HG2 ARG 17 HG2 ARG 17 -0.367 -9.669 5.547 111 HG3 ARG 17 HG3 ARG 17 -1.672 -9.311 6.668 112 HD2 ARG 17 HD2 ARG 17 -1.218 -11.675 6.705 113 HD3 ARG 17 HD3 ARG 17 -2.802 -11.387 5.991 114 HE ARG 17 HE ARG 17 -0.710 -11.592 4.031 115 HH11 ARG 17 HH12 ARG 17 -2.907 -13.428 6.053 116 HH12 ARG 17 HH11 ARG 17 -2.920 -14.811 5.005 117 HH21 ARG 17 HH22 ARG 17 -0.740 -13.412 2.645 118 HH22 ARG 17 HH21 ARG 17 -1.676 -14.811 3.073 119 H THR 18 H THR 18 -3.193 -5.873 5.146 120 HA THR 18 HA THR 18 -4.596 -5.516 2.585 121 HB THR 18 HB THR 18 -5.896 -5.489 5.314 122 HG1 THR 18 HG1 THR 18 -6.321 -7.363 3.198 123 HG21 THR 18 HG21 THR 18 -6.954 -3.934 3.752 124 HG22 THR 18 HG22 THR 18 -8.003 -5.323 4.054 125 HG23 THR 18 HG23 THR 18 -7.089 -5.219 2.548 126 H LEU 19 H LEU 19 -4.632 -3.496 1.898 127 HA LEU 19 HA LEU 19 -3.838 -1.334 3.695 128 HB2 LEU 19 HB2 LEU 19 -2.600 -1.504 1.639 129 HB3 LEU 19 HB3 LEU 19 -4.077 -1.541 0.698 130 HG LEU 19 HG LEU 19 -4.536 0.795 1.359 131 HD11 LEU 19 HD11 LEU 19 -2.784 2.106 2.436 132 HD12 LEU 19 HD12 LEU 19 -3.343 0.807 3.491 133 HD13 LEU 19 HD13 LEU 19 -1.809 0.650 2.634 134 HD21 LEU 19 HD21 LEU 19 -1.846 0.292 0.104 135 HD22 LEU 19 HD22 LEU 19 -3.400 0.303 -0.727 136 HD23 LEU 19 HD23 LEU 19 -2.771 1.790 -0.016 137 H ARG 20 H ARG 20 -5.504 -0.443 4.731 138 HA ARG 20 HA ARG 20 -8.070 -0.143 3.333 139 HB2 ARG 20 HB2 ARG 20 -7.667 -1.237 5.713 140 HB3 ARG 20 HB3 ARG 20 -7.690 0.436 6.244 141 HG2 ARG 20 HG2 ARG 20 -9.897 -0.953 4.745 142 HG3 ARG 20 HG3 ARG 20 -9.862 -0.652 6.480 143 HD2 ARG 20 HD2 ARG 20 -9.895 1.427 4.299 144 HD3 ARG 20 HD3 ARG 20 -11.245 0.984 5.341 145 HE ARG 20 HE ARG 20 -8.808 2.394 6.201 146 HH11 ARG 20 HH12 ARG 20 -12.082 1.335 6.787 147 HH12 ARG 20 HH11 ARG 20 -12.372 2.486 8.059 148 HH21 ARG 20 HH22 ARG 20 -9.136 3.869 7.907 149 HH22 ARG 20 HH21 ARG 20 -10.672 3.915 8.727 150 H ALA 21 H ALA 21 -8.653 1.823 2.610 151 HA ALA 21 HA ALA 21 -7.774 4.210 4.023 152 HB1 ALA 21 HB1 ALA 21 -7.130 3.839 1.100 153 HB2 ALA 21 HB2 ALA 21 -6.812 5.274 2.074 154 HB3 ALA 21 HB3 ALA 21 -5.958 3.767 2.415 155 H GLU 22 H GLU 22 -9.200 5.887 3.830 156 HA GLU 22 HA GLU 22 -11.621 5.322 2.265 157 HB2 GLU 22 HB2 GLU 22 -11.350 7.577 4.231 158 HB3 GLU 22 HB3 GLU 22 -12.802 6.722 3.728 159 HG2 GLU 22 HG2 GLU 22 -11.671 4.680 4.860 160 HG3 GLU 22 HG3 GLU 22 -10.705 5.909 5.679 161 H CYS 23 H CYS 23 -11.576 6.174 0.293 162 HA CYS 23 HA CYS 23 -10.337 8.827 -0.019 163 HB2 CYS 23 HB2 CYS 23 -10.455 6.811 -2.237 164 HB3 CYS 23 HB3 CYS 23 -9.375 8.189 -2.038 165 HG CYS 23 HG CYS 23 -9.124 5.079 -0.748 166 H ARG 24 H ARG 24 -11.358 10.284 -1.325 167 HA ARG 24 HA ARG 24 -14.178 9.956 -1.607 168 HB2 ARG 24 HB2 ARG 24 -13.997 12.165 -1.305 169 HB3 ARG 24 HB3 ARG 24 -12.272 12.130 -1.642 170 HG2 ARG 24 HG2 ARG 24 -14.263 12.091 -3.873 171 HG3 ARG 24 HG3 ARG 24 -13.809 13.604 -3.087 172 HD2 ARG 24 HD2 ARG 24 -11.647 13.515 -3.858 173 HD3 ARG 24 HD3 ARG 24 -11.665 11.758 -4.019 174 HE ARG 24 HE ARG 24 -13.415 12.421 -5.892 175 HH11 ARG 24 HH12 ARG 24 -10.280 13.787 -5.127 176 HH12 ARG 24 HH11 ARG 24 -9.958 14.312 -6.752 177 HH21 ARG 24 HH22 ARG 24 -12.994 13.108 -8.046 178 HH22 ARG 24 HH21 ARG 24 -11.504 13.919 -8.425 179 H ASN 25 H ASN 25 -15.386 9.777 -3.469 180 HA ASN 25 HA ASN 25 -13.973 8.559 -5.705 181 HB2 ASN 25 HB2 ASN 25 -16.076 7.699 -6.394 182 HB3 ASN 25 HB3 ASN 25 -16.022 7.557 -4.646 183 HD21 ASN 25 HD21 ASN 25 -18.305 7.630 -6.448 184 HD22 ASN 25 HD22 ASN 25 -19.288 8.950 -5.912 185 H ALA 26 H ALA 26 -15.485 9.045 -7.866 186 HA ALA 26 HA ALA 26 -14.567 11.502 -8.808 187 HB1 ALA 26 HB1 ALA 26 -15.921 11.089 -10.769 188 HB2 ALA 26 HB2 ALA 26 -15.160 9.589 -10.237 189 HB3 ALA 26 HB3 ALA 26 -16.866 9.884 -9.896 190 H ASP 27 H ASP 27 -17.574 10.666 -7.235 191 HA ASP 27 HA ASP 27 -18.976 13.070 -7.884 192 HB2 ASP 27 HB2 ASP 27 -20.089 10.938 -7.259 193 HB3 ASP 27 HB3 ASP 27 -19.450 11.108 -5.630 194 H GLY 28 H GLY 28 -16.697 12.150 -5.458 195 HA2 GLY 28 HA3 GLY 28 -15.498 13.838 -4.236 196 HA3 GLY 28 HA2 GLY 28 -16.961 14.817 -4.236 197 H ASN 29 H ASN 29 -17.760 11.644 -3.692 198 HA ASN 29 HA ASN 29 -18.268 12.150 -0.868 199 HB2 ASN 29 HB2 ASN 29 -19.847 11.030 -2.669 200 HB3 ASN 29 HB3 ASN 29 -18.936 9.586 -2.251 201 HD21 ASN 29 HD21 ASN 29 -21.210 11.948 -1.165 202 HD22 ASN 29 HD22 ASN 29 -21.710 11.096 0.266 203 H TRP 30 H TRP 30 -17.470 10.840 0.796 204 HA TRP 30 HA TRP 30 -14.877 9.703 0.302 205 HB2 TRP 30 HB2 TRP 30 -16.519 9.984 2.820 206 HB3 TRP 30 HB3 TRP 30 -14.916 9.257 2.781 207 HD1 TRP 30 HD1 TRP 30 -14.277 11.748 0.427 208 HE1 TRP 30 HE1 TRP 30 -13.442 13.961 1.450 209 HE3 TRP 30 HE3 TRP 30 -15.763 11.011 5.261 210 HZ2 TRP 30 HZ2 TRP 30 -13.411 15.208 3.971 211 HZ3 TRP 30 HZ3 TRP 30 -15.292 12.767 6.919 212 HH2 TRP 30 HH2 TRP 30 -14.140 14.822 6.283 213 H VAL 31 H VAL 31 -14.513 7.699 -0.273 214 HA VAL 31 HA VAL 31 -16.509 5.636 0.397 215 HB VAL 31 HB VAL 31 -14.532 5.447 -1.862 216 HG11 VAL 31 HG11 VAL 31 -16.116 3.821 -2.755 217 HG12 VAL 31 HG12 VAL 31 -15.578 3.372 -1.136 218 HG13 VAL 31 HG13 VAL 31 -17.176 4.084 -1.369 219 HG21 VAL 31 HG21 VAL 31 -15.790 7.464 -2.280 220 HG22 VAL 31 HG22 VAL 31 -16.317 6.195 -3.389 221 HG23 VAL 31 HG23 VAL 31 -17.310 6.613 -1.990 222 H THR 32 H THR 32 -15.833 4.085 1.738 223 HA THR 32 HA THR 32 -13.060 3.938 2.518 224 HB THR 32 HB THR 32 -15.297 2.063 3.306 225 HG1 THR 32 HG1 THR 32 -14.477 4.281 4.872 226 HG21 THR 32 HG21 THR 32 -13.029 1.305 3.846 227 HG22 THR 32 HG22 THR 32 -13.927 1.716 5.309 228 HG23 THR 32 HG23 THR 32 -12.716 2.831 4.673 229 H SER 33 H SER 33 -11.678 2.973 1.119 230 HA SER 33 HA SER 33 -12.599 0.504 -0.189 231 HB2 SER 33 HB2 SER 33 -11.973 2.469 -1.686 232 HB3 SER 33 HB3 SER 33 -10.314 2.224 -1.141 233 HG SER 33 HG SER 33 -11.848 0.111 -2.232 234 H GLU 34 H GLU 34 -11.217 -1.237 -0.297 235 HA GLU 34 HA GLU 34 -8.823 -1.157 1.391 236 HB2 GLU 34 HB2 GLU 34 -10.676 -3.522 1.456 237 HB3 GLU 34 HB3 GLU 34 -9.444 -3.049 2.621 238 HG2 GLU 34 HG2 GLU 34 -10.853 -1.099 3.224 239 HG3 GLU 34 HG3 GLU 34 -12.099 -1.722 2.156 240 H LEU 35 H LEU 35 -7.119 -2.150 0.487 241 HA LEU 35 HA LEU 35 -7.618 -4.041 -1.722 242 HB2 LEU 35 HB2 LEU 35 -6.743 -1.598 -2.285 243 HB3 LEU 35 HB3 LEU 35 -5.210 -2.267 -1.769 244 HG LEU 35 HG LEU 35 -6.898 -3.134 -4.115 245 HD11 LEU 35 HD11 LEU 35 -4.882 -2.578 -5.388 246 HD12 LEU 35 HD12 LEU 35 -5.510 -1.191 -4.499 247 HD13 LEU 35 HD13 LEU 35 -4.097 -2.057 -3.897 248 HD21 LEU 35 HD21 LEU 35 -5.199 -4.837 -4.581 249 HD22 LEU 35 HD22 LEU 35 -4.410 -4.468 -3.048 250 HD23 LEU 35 HD23 LEU 35 -6.034 -5.153 -3.061 251 H ASP 36 H ASP 36 -6.829 -5.930 -1.237 252 HA ASP 36 HA ASP 36 -5.112 -6.377 0.957 253 HB2 ASP 36 HB2 ASP 36 -6.035 -8.138 -1.314 254 HB3 ASP 36 HB3 ASP 36 -5.050 -8.710 0.015 255 H LEU 37 H LEU 37 -3.088 -5.740 0.934 256 HA LEU 37 HA LEU 37 -1.507 -5.228 -1.335 257 HB2 LEU 37 HB2 LEU 37 -0.666 -5.890 1.484 258 HB3 LEU 37 HB3 LEU 37 0.373 -5.204 0.245 259 HG LEU 37 HG LEU 37 -1.994 -3.916 1.531 260 HD11 LEU 37 HD11 LEU 37 0.925 -3.290 1.520 261 HD12 LEU 37 HD12 LEU 37 -0.329 -2.391 2.379 262 HD13 LEU 37 HD13 LEU 37 0.031 -4.059 2.831 263 HD21 LEU 37 HD21 LEU 37 -0.233 -2.862 -0.672 264 HD22 LEU 37 HD22 LEU 37 -1.915 -3.364 -0.853 265 HD23 LEU 37 HD23 LEU 37 -1.514 -1.973 0.154 266 H ASP 38 H ASP 38 -1.772 -7.938 0.854 267 HA ASP 38 HA ASP 38 0.339 -9.481 -0.190 268 HB2 ASP 38 HB2 ASP 38 -0.452 -11.275 1.101 269 HB3 ASP 38 HB3 ASP 38 -0.900 -9.840 2.018 270 H THR 39 H THR 39 -2.435 -8.524 -1.714 271 HA THR 39 HA THR 39 -2.529 -10.998 -3.305 272 HB THR 39 HB THR 39 -4.661 -9.834 -2.222 273 HG1 THR 39 HG1 THR 39 -5.447 -11.486 -3.277 274 HG21 THR 39 HG21 THR 39 -5.902 -8.560 -3.912 275 HG22 THR 39 HG22 THR 39 -4.487 -8.589 -4.965 276 HG23 THR 39 HG23 THR 39 -4.425 -7.724 -3.431 277 H ILE 40 H ILE 40 -1.309 -7.852 -3.395 278 HA ILE 40 HA ILE 40 -0.769 -8.149 -6.259 279 HB ILE 40 HB ILE 40 -1.174 -5.673 -6.585 280 HG12 ILE 40 HG13 ILE 40 -3.144 -4.983 -4.917 281 HG13 ILE 40 3HG1 ILE 40 -2.241 -6.035 -3.836 282 HG21 ILE 40 HG21 ILE 40 -3.558 -7.413 -5.995 283 HG22 ILE 40 HG22 ILE 40 -3.568 -5.950 -6.979 284 HG23 ILE 40 HG23 ILE 40 -2.653 -7.363 -7.506 285 HD11 ILE 40 HD11 ILE 40 -0.254 -4.681 -4.160 286 HD12 ILE 40 HD12 ILE 40 -1.145 -3.626 -5.259 287 HD13 ILE 40 HD13 ILE 40 -1.603 -3.716 -3.557 288 H ILE 41 H ILE 41 0.591 -7.997 -3.422 289 HA ILE 41 HA ILE 41 2.860 -6.366 -4.366 290 HB ILE 41 HB ILE 41 1.827 -6.593 -1.540 291 HG12 ILE 41 HG13 ILE 41 1.709 -4.500 -3.649 292 HG13 ILE 41 3HG1 ILE 41 0.526 -4.931 -2.419 293 HG21 ILE 41 HG21 ILE 41 4.301 -5.185 -2.524 294 HG22 ILE 41 HG22 ILE 41 3.639 -5.101 -0.888 295 HG23 ILE 41 HG23 ILE 41 4.251 -6.633 -1.517 296 HD11 ILE 41 HD11 ILE 41 1.871 -3.809 -0.727 297 HD12 ILE 41 HD12 ILE 41 3.056 -3.378 -1.963 298 HD13 ILE 41 HD13 ILE 41 1.423 -2.712 -2.038 299 H GLY 42 H GLY 42 4.767 -7.394 -4.366 300 HA2 GLY 42 HA3 GLY 42 4.919 -9.961 -2.912 301 HA3 GLY 42 HA2 GLY 42 5.493 -9.803 -4.566 302 H ASN 43 H ASN 43 7.097 -10.689 -2.468 303 HA ASN 43 HA ASN 43 8.919 -8.416 -2.115 304 HB2 ASN 43 HB2 ASN 43 8.336 -9.167 0.040 305 HB3 ASN 43 HB3 ASN 43 8.468 -10.857 -0.414 306 HD21 ASN 43 HD21 ASN 43 9.848 -11.277 1.298 307 HD22 ASN 43 HD22 ASN 43 11.513 -10.776 1.282 308 H ASN 44 H ASN 44 10.345 -8.414 -3.624 309 HA ASN 44 HA ASN 44 11.347 -10.857 -4.834 310 HB2 ASN 44 HB2 ASN 44 10.737 -8.871 -6.211 311 HB3 ASN 44 HB3 ASN 44 12.000 -7.950 -5.407 312 HD21 ASN 44 HD21 ASN 44 14.135 -8.327 -5.933 313 HD22 ASN 44 HD22 ASN 44 14.609 -9.249 -7.314 314 H ASP 45 H ASP 45 12.271 -11.535 -2.801 315 HA ASP 45 HA ASP 45 13.837 -11.713 -1.163 316 HB2 ASP 45 HB2 ASP 45 16.054 -12.203 -2.014 317 HB3 ASP 45 HB3 ASP 45 14.822 -12.906 -3.048 318 H GLY 46 H GLY 46 13.026 -9.409 -0.555 319 HA2 GLY 46 HA3 GLY 46 13.888 -7.718 0.827 320 HA3 GLY 46 HA2 GLY 46 15.462 -7.933 0.077 321 H HIS 47 H HIS 47 12.424 -7.469 -1.641 322 HA HIS 47 HA HIS 47 12.789 -4.661 -2.061 323 HB2 HIS 47 HB2 HIS 47 14.529 -5.856 -3.586 324 HB3 HIS 47 HB3 HIS 47 13.135 -6.328 -4.549 325 HD1 HIS 47 HD1 HIS 47 12.329 -4.661 -6.242 326 HD2 HIS 47 HD2 HIS 47 14.856 -2.968 -3.397 327 HE1 HIS 47 HE1 HIS 47 12.760 -2.304 -7.025 328 HE2 HIS 47 HE2 HIS 47 14.225 -1.275 -5.247 329 H PHE 48 H PHE 48 10.749 -3.914 -2.236 330 HA PHE 48 HA PHE 48 8.537 -5.608 -2.529 331 HB2 PHE 48 HB2 PHE 48 8.818 -2.622 -2.717 332 HB3 PHE 48 HB3 PHE 48 7.267 -3.425 -2.948 333 HD1 PHE 48 HD2 PHE 48 6.494 -5.003 -1.060 334 HD2 PHE 48 HD1 PHE 48 9.520 -2.050 -0.593 335 HE1 PHE 48 HE2 PHE 48 6.152 -5.046 1.377 336 HE2 PHE 48 HE1 PHE 48 9.185 -2.089 1.845 337 HZ PHE 48 HZ PHE 48 7.499 -3.585 2.832 338 H GLN 49 H GLN 49 7.144 -6.022 -4.155 339 HA GLN 49 HA GLN 49 7.871 -5.143 -6.855 340 HB2 GLN 49 HB2 GLN 49 8.763 -7.290 -6.885 341 HB3 GLN 49 HB3 GLN 49 7.538 -7.925 -5.797 342 HG2 GLN 49 HG2 GLN 49 5.889 -7.856 -7.569 343 HG3 GLN 49 HG3 GLN 49 7.063 -7.144 -8.669 344 HE21 GLN 49 HE21 GLN 49 8.769 -8.434 -9.442 345 HE22 GLN 49 HE22 GLN 49 8.693 -10.169 -9.383 346 H TRP 50 H TRP 50 6.182 -4.068 -7.633 347 HA TRP 50 HA TRP 50 3.548 -4.430 -6.589 348 HB2 TRP 50 HB2 TRP 50 4.648 -2.845 -8.908 349 HB3 TRP 50 HB3 TRP 50 2.919 -2.941 -8.588 350 HD1 TRP 50 HD1 TRP 50 5.916 -0.968 -7.674 351 HE1 TRP 50 HE1 TRP 50 5.383 0.616 -5.708 352 HE3 TRP 50 HE3 TRP 50 1.434 -2.951 -6.226 353 HZ2 TRP 50 HZ2 TRP 50 3.348 0.966 -3.805 354 HZ3 TRP 50 HZ3 TRP 50 0.262 -1.939 -4.319 355 HH2 TRP 50 HH2 TRP 50 1.195 -0.020 -3.134 356 H GLY 51 H GLY 51 2.335 -6.091 -7.021 357 HA2 GLY 51 HA3 GLY 51 0.973 -7.354 -8.513 358 HA3 GLY 51 HA2 GLY 51 2.166 -7.092 -9.779 359 H GLY 52 H GLY 52 2.989 -8.087 -6.524 360 HA2 GLY 52 HA3 GLY 52 4.055 -10.577 -7.655 361 HA3 GLY 52 HA2 GLY 52 4.587 -9.822 -6.161 362 H GLN 53 H GLN 53 2.336 -9.467 -4.741 363 HA GLN 53 HA GLN 53 0.749 -10.435 -3.444 364 HB2 GLN 53 HB2 GLN 53 -0.569 -11.163 -5.195 365 HB3 GLN 53 HB3 GLN 53 0.665 -12.246 -5.820 366 HG2 GLN 53 HG2 GLN 53 0.255 -13.676 -3.780 367 HG3 GLN 53 HG3 GLN 53 -1.146 -12.650 -3.461 368 HE21 GLN 53 HE21 GLN 53 -2.935 -12.770 -4.822 369 HE22 GLN 53 HE22 GLN 53 -3.144 -14.057 -5.965 370 H ASN 54 H ASN 54 0.674 -11.799 -1.714 371 HA ASN 54 HA ASN 54 1.371 -13.215 -0.097 372 HB2 ASN 54 HB2 ASN 54 1.653 -14.690 -2.395 373 HB3 ASN 54 HB3 ASN 54 3.259 -14.795 -1.693 374 HD21 ASN 54 HD21 ASN 54 1.189 -16.822 -2.056 375 HD22 ASN 54 HD22 ASN 54 0.884 -17.485 -0.486 376 H PHE 55 H PHE 55 2.771 -10.785 -0.610 377 HA PHE 55 HA PHE 55 5.582 -11.284 -0.287 378 HB2 PHE 55 HB2 PHE 55 5.875 -8.970 -0.357 379 HB3 PHE 55 HB3 PHE 55 4.403 -9.170 -1.291 380 HD1 PHE 55 HD1 PHE 55 2.179 -8.746 -0.138 381 HD2 PHE 55 HD2 PHE 55 5.925 -7.593 1.529 382 HE1 PHE 55 HE1 PHE 55 1.033 -7.117 1.306 383 HE2 PHE 55 HE2 PHE 55 4.782 -5.967 2.977 384 HZ PHE 55 HZ PHE 55 2.338 -5.724 2.867 385 H THR 56 H THR 56 2.841 -10.847 1.772 386 HA THR 56 HA THR 56 4.158 -10.134 4.149 387 HB THR 56 HB THR 56 2.075 -11.019 5.256 388 HG1 THR 56 HG1 THR 56 1.298 -12.579 3.950 389 HG21 THR 56 HG21 THR 56 0.578 -9.335 4.112 390 HG22 THR 56 HG22 THR 56 1.891 -9.076 2.965 391 HG23 THR 56 HG23 THR 56 2.132 -8.721 4.674 392 H GLU 57 H GLU 57 3.865 -13.155 2.486 393 HA GLU 57 HA GLU 57 4.332 -14.821 4.758 394 HB2 GLU 57 HB2 GLU 57 4.326 -16.604 3.293 395 HB3 GLU 57 HB3 GLU 57 3.388 -15.426 2.387 396 HG2 GLU 57 HG2 GLU 57 5.268 -14.904 1.008 397 HG3 GLU 57 HG3 GLU 57 6.327 -15.902 2.006 398 H THR 58 H THR 58 6.295 -12.755 2.938 399 HA THR 58 HA THR 58 8.717 -13.989 4.068 400 HB THR 58 HB THR 58 9.971 -13.244 2.076 401 HG1 THR 58 HG1 THR 58 7.516 -12.782 0.757 402 HG21 THR 58 HG21 THR 58 8.985 -15.530 2.160 403 HG22 THR 58 HG22 THR 58 9.171 -14.907 0.519 404 HG23 THR 58 HG23 THR 58 7.581 -14.907 1.287 405 H ALA 59 H ALA 59 6.766 -11.692 4.667 406 HA ALA 59 HA ALA 59 8.831 -9.654 5.100 407 HB1 ALA 59 HB1 ALA 59 7.310 -8.972 3.281 408 HB2 ALA 59 HB2 ALA 59 5.957 -9.076 4.407 409 HB3 ALA 59 HB3 ALA 59 7.240 -7.897 4.678 410 H GLU 60 H GLU 60 8.644 -8.427 6.959 411 HA GLU 60 HA GLU 60 6.609 -9.163 8.922 412 HB2 GLU 60 HB2 GLU 60 8.956 -8.970 10.417 413 HB3 GLU 60 HB3 GLU 60 8.033 -10.428 10.095 414 HG2 GLU 60 HG2 GLU 60 9.403 -10.939 8.187 415 HG3 GLU 60 HG3 GLU 60 10.272 -9.411 8.345 416 H ASP 61 H ASP 61 6.969 -7.707 10.939 417 HA ASP 61 HA ASP 61 6.742 -5.569 11.738 418 HB2 ASP 61 HB2 ASP 61 9.364 -6.034 11.263 419 HB3 ASP 61 HB3 ASP 61 9.117 -4.656 10.209 420 H ILE 62 H ILE 62 5.045 -5.839 9.687 421 HA ILE 62 HA ILE 62 5.573 -3.822 7.677 422 HB ILE 62 HB ILE 62 2.934 -5.224 7.991 423 HG12 ILE 62 HG13 ILE 62 5.548 -6.321 6.939 424 HG13 ILE 62 3HG1 ILE 62 4.476 -7.040 8.130 425 HG21 ILE 62 HG21 ILE 62 3.110 -3.442 6.340 426 HG22 ILE 62 HG22 ILE 62 4.513 -4.229 5.616 427 HG23 ILE 62 HG23 ILE 62 2.931 -5.005 5.542 428 HD11 ILE 62 HD11 ILE 62 2.809 -7.424 6.369 429 HD12 ILE 62 HD12 ILE 62 3.938 -6.758 5.187 430 HD13 ILE 62 HD13 ILE 62 4.341 -8.240 6.052 431 H ARG 63 H ARG 63 5.385 -1.806 8.220 432 HA ARG 63 HA ARG 63 2.969 -0.922 9.655 433 HB2 ARG 63 HB2 ARG 63 4.658 1.037 10.342 434 HB3 ARG 63 HB3 ARG 63 4.456 -0.413 11.312 435 HG2 ARG 63 HG2 ARG 63 6.440 -0.879 9.309 436 HG3 ARG 63 HG3 ARG 63 6.815 0.603 10.189 437 HD2 ARG 63 HD2 ARG 63 7.745 -1.561 11.134 438 HD3 ARG 63 HD3 ARG 63 6.883 -0.513 12.258 439 HE ARG 63 HE ARG 63 5.356 -2.652 10.996 440 HH11 ARG 63 HH12 ARG 63 7.146 -1.570 13.794 441 HH12 ARG 63 HH11 ARG 63 6.349 -2.659 14.889 442 HH21 ARG 63 HH22 ARG 63 4.310 -4.122 12.442 443 HH22 ARG 63 HH21 ARG 63 4.755 -4.117 14.120 444 H PHE 64 H PHE 64 1.795 0.440 8.519 445 HA PHE 64 HA PHE 64 2.887 1.525 6.053 446 HB2 PHE 64 HB2 PHE 64 0.801 0.376 5.798 447 HB3 PHE 64 HB3 PHE 64 0.068 1.302 7.103 448 HD1 PHE 64 HD1 PHE 64 2.066 2.334 4.121 449 HD2 PHE 64 HD2 PHE 64 -1.611 2.585 6.244 450 HE1 PHE 64 HE1 PHE 64 1.255 4.019 2.519 451 HE2 PHE 64 HE2 PHE 64 -2.416 4.262 4.648 452 HZ PHE 64 HZ PHE 64 -0.994 4.976 2.779 453 H HIS 65 H HIS 65 3.219 3.581 5.625 454 HA HIS 65 HA HIS 65 2.359 5.581 7.612 455 HB2 HIS 65 HB2 HIS 65 4.876 4.984 7.556 456 HB3 HIS 65 HB3 HIS 65 4.902 5.852 6.024 457 HD1 HIS 65 HD1 HIS 65 3.125 6.782 9.257 458 HD2 HIS 65 HD2 HIS 65 6.069 8.208 6.685 459 HE1 HIS 65 HE1 HIS 65 3.741 9.058 10.125 460 HE2 HIS 65 HE2 HIS 65 5.647 9.823 8.665 461 HA PRO 66 HA PRO 66 0.224 6.532 3.666 462 HB2 PRO 66 HB2 PRO 66 -1.460 8.288 5.009 463 HB3 PRO 66 HB3 PRO 66 -1.785 6.606 4.643 464 HG2 PRO 66 HG2 PRO 66 -0.875 7.833 7.170 465 HG3 PRO 66 HG3 PRO 66 -1.916 6.423 6.909 466 HD2 PRO 66 HD2 PRO 66 0.669 6.210 7.681 467 HD3 PRO 66 HD3 PRO 66 -0.119 4.989 6.658 468 H LYS 67 H LYS 67 1.251 8.759 6.097 469 HA LYS 67 HA LYS 67 1.812 10.708 3.960 470 HB2 LYS 67 HB2 LYS 67 0.906 11.363 6.770 471 HB3 LYS 67 HB3 LYS 67 1.317 12.531 5.525 472 HG2 LYS 67 HG2 LYS 67 -0.863 12.560 5.082 473 HG3 LYS 67 HG3 LYS 67 -0.591 11.003 4.297 474 HD2 LYS 67 HD2 LYS 67 -1.717 9.891 5.864 475 HD3 LYS 67 HD3 LYS 67 -0.917 10.768 7.174 476 HE2 LYS 67 HE2 LYS 67 -3.230 11.782 5.522 477 HE3 LYS 67 HE3 LYS 67 -3.336 11.161 7.169 478 HZ1 LYS 67 HZ1 LYS 67 -1.834 13.586 6.310 479 HZ2 LYS 67 HZ2 LYS 67 -1.885 12.973 7.891 480 HZ3 LYS 67 HZ3 LYS 67 -3.298 13.565 7.170 481 H GLU 68 H GLU 68 3.939 10.009 3.824 482 HA GLU 68 HA GLU 68 5.703 9.978 6.042 483 HB2 GLU 68 HB2 GLU 68 6.371 8.708 4.168 484 HB3 GLU 68 HB3 GLU 68 6.144 10.063 3.069 485 HG2 GLU 68 HG2 GLU 68 8.081 11.139 3.797 486 HG3 GLU 68 HG3 GLU 68 8.194 10.139 5.250 487 H GLY 69 H GLY 69 6.260 11.665 7.197 488 HA2 GLY 69 HA3 GLY 69 6.857 13.775 7.836 489 HA3 GLY 69 HA2 GLY 69 7.708 13.843 6.304 490 H ALA 70 H ALA 70 7.289 16.058 6.153 491 HA ALA 70 HA ALA 70 4.620 17.093 6.112 492 HB1 ALA 70 HB1 ALA 70 7.179 18.317 5.078 493 HB2 ALA 70 HB2 ALA 70 5.653 19.164 5.327 494 HB3 ALA 70 HB3 ALA 70 6.532 18.504 6.708 495 H ALA 71 H ALA 71 6.499 15.327 3.969 496 HA ALA 71 HA ALA 71 5.523 16.367 1.489 497 HB1 ALA 71 HB1 ALA 71 7.641 15.168 1.603 498 HB2 ALA 71 HB2 ALA 71 6.810 13.712 2.163 499 HB3 ALA 71 HB3 ALA 71 6.521 14.325 0.532 500 H GLU 72 H GLU 72 4.412 14.138 3.874 501 HA GLU 72 HA GLU 72 2.669 12.702 4.025 502 HB2 GLU 72 HB2 GLU 72 1.419 14.859 2.325 503 HB3 GLU 72 HB3 GLU 72 0.513 13.568 3.105 504 HG2 GLU 72 HG2 GLU 72 1.671 14.418 5.265 505 HG3 GLU 72 HG3 GLU 72 1.939 15.885 4.325 506 H GLN 73 H GLN 73 4.373 11.641 2.399 507 HA GLN 73 HA GLN 73 2.890 10.794 0.021 508 HB2 GLN 73 HB2 GLN 73 5.203 11.705 -0.301 509 HB3 GLN 73 HB3 GLN 73 5.816 10.352 0.640 510 HG2 GLN 73 HG2 GLN 73 5.042 8.784 -0.996 511 HG3 GLN 73 HG3 GLN 73 4.230 10.063 -1.897 512 HE21 GLN 73 HE21 GLN 73 7.254 8.561 -1.144 513 HE22 GLN 73 HE22 GLN 73 8.187 9.361 -2.360 514 HA PRO 74 HA PRO 74 2.057 7.081 2.277 515 HB2 PRO 74 HB2 PRO 74 0.812 5.747 0.280 516 HB3 PRO 74 HB3 PRO 74 0.039 7.056 1.182 517 HG2 PRO 74 HG2 PRO 74 1.356 7.125 -1.506 518 HG3 PRO 74 HG3 PRO 74 -0.155 7.889 -0.982 519 HD2 PRO 74 HD2 PRO 74 2.185 9.249 -1.179 520 HD3 PRO 74 HD3 PRO 74 0.935 9.662 0.015 521 H ILE 75 H ILE 75 3.791 5.916 2.714 522 HA ILE 75 HA ILE 75 4.787 4.162 0.604 523 HB ILE 75 HB ILE 75 7.061 4.521 1.013 524 HG12 ILE 75 HG13 ILE 75 7.533 6.378 2.956 525 HG13 ILE 75 3HG1 ILE 75 6.169 5.499 3.646 526 HG21 ILE 75 HG21 ILE 75 7.430 6.953 0.786 527 HG22 ILE 75 HG22 ILE 75 6.161 6.337 -0.271 528 HG23 ILE 75 HG23 ILE 75 5.734 7.218 1.196 529 HD11 ILE 75 HD11 ILE 75 8.765 4.292 2.715 530 HD12 ILE 75 HD12 ILE 75 8.274 4.557 4.388 531 HD13 ILE 75 HD13 ILE 75 7.396 3.401 3.383 532 H LEU 76 H LEU 76 5.258 2.133 1.283 533 HA LEU 76 HA LEU 76 4.603 1.563 4.092 534 HB2 LEU 76 HB2 LEU 76 2.979 0.685 2.496 535 HB3 LEU 76 HB3 LEU 76 4.247 -0.127 1.614 536 HG LEU 76 HG LEU 76 2.677 -1.453 3.222 537 HD11 LEU 76 HD11 LEU 76 4.441 -3.091 3.608 538 HD12 LEU 76 HD12 LEU 76 4.541 -2.424 1.977 539 HD13 LEU 76 HD13 LEU 76 5.660 -1.875 3.225 540 HD21 LEU 76 HD21 LEU 76 3.065 -0.062 5.181 541 HD22 LEU 76 HD22 LEU 76 3.578 -1.726 5.459 542 HD23 LEU 76 HD23 LEU 76 4.779 -0.477 5.136 543 H ARG 77 H ARG 77 6.140 0.702 5.326 544 HA ARG 77 HA ARG 77 8.463 -0.497 3.986 545 HB2 ARG 77 HB2 ARG 77 9.958 0.405 5.578 546 HB3 ARG 77 HB3 ARG 77 8.928 1.738 5.089 547 HG2 ARG 77 HG2 ARG 77 8.430 0.148 7.589 548 HG3 ARG 77 HG3 ARG 77 9.488 1.558 7.547 549 HD2 ARG 77 HD2 ARG 77 6.567 1.501 6.814 550 HD3 ARG 77 HD3 ARG 77 7.247 2.166 8.299 551 HE ARG 77 HE ARG 77 7.690 3.264 5.595 552 HH11 ARG 77 HH12 ARG 77 7.394 3.704 9.057 553 HH12 ARG 77 HH11 ARG 77 7.702 5.419 8.986 554 HH21 ARG 77 HH22 ARG 77 8.086 5.509 5.509 555 HH22 ARG 77 HH21 ARG 77 8.113 6.439 6.977 556 H ALA 78 H ALA 78 9.290 -2.322 4.830 557 HA ALA 78 HA ALA 78 8.414 -3.472 7.314 558 HB1 ALA 78 HB1 ALA 78 7.332 -5.440 6.370 559 HB2 ALA 78 HB2 ALA 78 6.474 -3.982 5.872 560 HB3 ALA 78 HB3 ALA 78 7.549 -4.803 4.740 561 H ARG 79 H ARG 79 9.388 -5.736 7.531 562 HA ARG 79 HA ARG 79 12.092 -5.641 6.463 563 HB2 ARG 79 HB2 ARG 79 11.079 -7.875 8.196 564 HB3 ARG 79 HB3 ARG 79 12.697 -7.207 8.097 565 HG2 ARG 79 HG2 ARG 79 10.302 -6.054 9.498 566 HG3 ARG 79 HG3 ARG 79 11.827 -6.596 10.200 567 HD2 ARG 79 HD2 ARG 79 13.007 -4.772 9.080 568 HD3 ARG 79 HD3 ARG 79 11.490 -4.259 8.337 569 HE ARG 79 HE ARG 79 10.753 -3.969 10.783 570 HH11 ARG 79 HH12 ARG 79 14.015 -3.410 9.626 571 HH12 ARG 79 HH11 ARG 79 14.332 -2.126 10.752 572 HH21 ARG 79 HH22 ARG 79 11.157 -2.309 12.262 573 HH22 ARG 79 HH21 ARG 79 12.702 -1.506 12.272 574 H LEU 80 H LEU 80 12.491 -6.548 4.574 575 HA LEU 80 HA LEU 80 10.713 -8.665 3.620 576 HB2 LEU 80 HB2 LEU 80 12.315 -6.537 2.348 577 HB3 LEU 80 HB3 LEU 80 12.232 -8.054 1.478 578 HG LEU 80 HG LEU 80 9.911 -7.901 1.205 579 HD11 LEU 80 HD11 LEU 80 9.275 -7.285 3.439 580 HD12 LEU 80 HD12 LEU 80 9.895 -5.650 3.184 581 HD13 LEU 80 HD13 LEU 80 8.504 -6.221 2.261 582 HD21 LEU 80 HD21 LEU 80 9.562 -5.684 0.191 583 HD22 LEU 80 HD22 LEU 80 11.095 -5.166 0.895 584 HD23 LEU 80 HD23 LEU 80 11.066 -6.460 -0.306 585 H ARG 81 H ARG 81 11.340 -10.665 3.582 586 HA ARG 81 HA ARG 81 13.997 -11.406 4.339 587 HB2 ARG 81 HB2 ARG 81 12.186 -12.746 5.146 588 HB3 ARG 81 HB3 ARG 81 11.563 -12.995 3.522 589 HG2 ARG 81 HG2 ARG 81 14.306 -13.937 3.918 590 HG3 ARG 81 HG3 ARG 81 13.104 -14.769 4.897 591 HD2 ARG 81 HD2 ARG 81 11.759 -14.992 2.736 592 HD3 ARG 81 HD3 ARG 81 13.242 -14.505 1.917 593 HE ARG 81 HE ARG 81 14.172 -16.548 2.379 594 HH11 ARG 81 HH12 ARG 81 11.173 -16.210 4.153 595 HH12 ARG 81 HH11 ARG 81 11.039 -17.903 4.517 596 HH21 ARG 81 HH22 ARG 81 14.026 -18.769 2.871 597 HH22 ARG 81 HH21 ARG 81 12.677 -19.359 3.802 598 H ASP 82 H ASP 82 15.605 -12.186 3.146 599 HA ASP 82 HA ASP 82 15.394 -11.900 0.247 600 HB2 ASP 82 HB2 ASP 82 17.855 -12.451 1.926 601 HB3 ASP 82 HB3 ASP 82 17.823 -12.008 0.224 602 H CYS 83 H CYS 83 16.572 -13.618 -1.094 603 HA CYS 83 HA CYS 83 15.382 -16.112 -0.679 604 HB2 CYS 83 HB2 CYS 83 17.767 -15.368 -2.372 605 HB3 CYS 83 HB3 CYS 83 16.976 -16.939 -2.431 606 HG CYS 83 HG CYS 83 14.443 -15.647 -3.093 607 H ASN 84 H ASN 84 18.249 -14.796 0.656 608 HA ASN 84 HA ASN 84 19.588 -17.231 1.258 609 HB2 ASN 84 HB2 ASN 84 20.748 -15.060 1.188 610 HB3 ASN 84 HB3 ASN 84 19.811 -14.513 2.573 611 HD21 ASN 84 HD21 ASN 84 21.556 -14.167 3.875 612 HD22 ASN 84 HD22 ASN 84 22.530 -15.462 4.509 613 H GLY 85 H GLY 85 17.025 -15.430 2.732 614 HA2 GLY 85 HA3 GLY 85 15.482 -16.425 4.245 615 HA3 GLY 85 HA2 GLY 85 16.759 -17.499 4.804 616 H GLU 86 H GLU 86 16.841 -14.028 4.354 617 HA GLU 86 HA GLU 86 17.185 -13.652 7.249 618 HB2 GLU 86 HB2 GLU 86 18.887 -11.961 6.761 619 HB3 GLU 86 HB3 GLU 86 19.339 -13.512 6.066 620 HG2 GLU 86 HG2 GLU 86 18.432 -12.727 3.889 621 HG3 GLU 86 HG3 GLU 86 18.231 -11.134 4.618 622 H PHE 87 H PHE 87 17.297 -10.798 7.106 623 HA PHE 87 HA PHE 87 14.858 -10.081 5.664 624 HB2 PHE 87 HB2 PHE 87 13.852 -9.005 7.631 625 HB3 PHE 87 HB3 PHE 87 14.041 -10.737 7.870 626 HD1 PHE 87 HD2 PHE 87 15.688 -11.601 9.447 627 HD2 PHE 87 HD1 PHE 87 15.064 -7.418 8.955 628 HE1 PHE 87 HE2 PHE 87 16.864 -11.180 11.565 629 HE2 PHE 87 HE1 PHE 87 16.244 -6.992 11.071 630 HZ PHE 87 HZ PHE 87 17.144 -8.872 12.379 631 H HIS 88 H HIS 88 14.639 -8.081 5.079 632 HA HIS 88 HA HIS 88 16.674 -6.117 5.813 633 HB2 HIS 88 HB2 HIS 88 16.231 -7.350 3.145 634 HB3 HIS 88 HB3 HIS 88 16.540 -5.629 3.194 635 HD1 HIS 88 HD1 HIS 88 18.219 -8.813 3.103 636 HD2 HIS 88 HD2 HIS 88 19.082 -5.021 4.596 637 HE1 HIS 88 HE1 HIS 88 20.719 -8.752 3.424 638 HE2 HIS 88 HE2 HIS 88 21.234 -6.397 4.163 639 H ASP 89 H ASP 89 15.479 -4.471 6.570 640 HA ASP 89 HA ASP 89 12.771 -4.069 5.944 641 HB2 ASP 89 HB2 ASP 89 12.947 -1.940 7.114 642 HB3 ASP 89 HB3 ASP 89 13.797 -3.194 8.004 643 H ARG 90 H ARG 90 11.935 -3.501 4.077 644 HA ARG 90 HA ARG 90 13.414 -1.531 2.460 645 HB2 ARG 90 HB2 ARG 90 11.526 -3.711 1.558 646 HB3 ARG 90 HB3 ARG 90 12.227 -2.492 0.502 647 HG2 ARG 90 HG2 ARG 90 13.715 -4.596 2.050 648 HG3 ARG 90 HG3 ARG 90 13.458 -4.542 0.305 649 HD2 ARG 90 HD2 ARG 90 14.731 -2.436 0.206 650 HD3 ARG 90 HD3 ARG 90 15.025 -2.547 1.942 651 HE ARG 90 HE ARG 90 15.882 -4.917 0.676 652 HH11 ARG 90 HH12 ARG 90 16.771 -1.549 1.004 653 HH12 ARG 90 HH11 ARG 90 18.465 -1.843 0.733 654 HH21 ARG 90 HH22 ARG 90 18.109 -5.310 0.338 655 HH22 ARG 90 HH21 ARG 90 19.222 -3.972 0.366 656 H ASP 91 H ASP 91 11.751 -0.451 0.863 657 HA ASP 91 HA ASP 91 9.268 0.219 2.219 658 HB2 ASP 91 HB2 ASP 91 9.690 2.649 1.938 659 HB3 ASP 91 HB3 ASP 91 10.810 1.905 3.070 660 H VAL 92 H VAL 92 7.708 1.059 0.808 661 HA VAL 92 HA VAL 92 8.474 1.143 -2.016 662 HB VAL 92 HB VAL 92 7.633 -1.116 -1.526 663 HG11 VAL 92 HG11 VAL 92 6.073 -0.678 0.248 664 HG12 VAL 92 HG12 VAL 92 5.062 0.284 -0.832 665 HG13 VAL 92 HG13 VAL 92 5.228 -1.452 -1.095 666 HG21 VAL 92 HG21 VAL 92 6.040 -1.225 -3.374 667 HG22 VAL 92 HG22 VAL 92 5.900 0.534 -3.337 668 HG23 VAL 92 HG23 VAL 92 7.444 -0.220 -3.739 669 H ASN 93 H ASN 93 7.320 2.456 -3.281 670 HA ASN 93 HA ASN 93 5.877 4.575 -1.969 671 HB2 ASN 93 HB2 ASN 93 6.961 4.079 -4.698 672 HB3 ASN 93 HB3 ASN 93 5.661 5.252 -4.539 673 HD21 ASN 93 HD21 ASN 93 8.470 5.628 -5.284 674 HD22 ASN 93 HD22 ASN 93 9.106 6.763 -4.142 675 H LEU 94 H LEU 94 3.809 4.298 -1.444 676 HA LEU 94 HA LEU 94 2.150 2.436 -2.885 677 HB2 LEU 94 HB2 LEU 94 1.535 4.295 -0.595 678 HB3 LEU 94 HB3 LEU 94 0.370 3.185 -1.290 679 HG LEU 94 HG LEU 94 2.663 2.653 0.513 680 HD11 LEU 94 HD11 LEU 94 0.378 2.644 1.321 681 HD12 LEU 94 HD12 LEU 94 -0.049 1.401 0.145 682 HD13 LEU 94 HD13 LEU 94 1.091 1.036 1.439 683 HD21 LEU 94 HD21 LEU 94 3.314 1.387 -1.475 684 HD22 LEU 94 HD22 LEU 94 2.809 0.313 -0.171 685 HD23 LEU 94 HD23 LEU 94 1.721 0.631 -1.523 686 H ASN 95 H ASN 95 3.088 5.465 -3.598 687 HA ASN 95 HA ASN 95 0.756 6.794 -4.385 688 HB2 ASN 95 HB2 ASN 95 3.387 6.959 -5.863 689 HB3 ASN 95 HB3 ASN 95 2.130 8.187 -5.763 690 HD21 ASN 95 HD21 ASN 95 4.840 6.759 -4.262 691 HD22 ASN 95 HD22 ASN 95 4.960 7.833 -2.925 692 H ARG 96 H ARG 96 2.151 3.965 -5.610 693 HA ARG 96 HA ARG 96 1.416 4.123 -8.337 694 HB2 ARG 96 HB2 ARG 96 2.022 1.881 -6.442 695 HB3 ARG 96 HB3 ARG 96 1.343 1.518 -8.019 696 HG2 ARG 96 HG2 ARG 96 3.791 1.333 -7.950 697 HG3 ARG 96 HG3 ARG 96 3.221 2.517 -9.125 698 HD2 ARG 96 HD2 ARG 96 3.792 3.582 -6.440 699 HD3 ARG 96 HD3 ARG 96 5.187 2.965 -7.325 700 HE ARG 96 HE ARG 96 3.444 4.806 -8.747 701 HH11 ARG 96 HH12 ARG 96 6.414 4.254 -6.993 702 HH12 ARG 96 HH11 ARG 96 7.172 5.722 -7.545 703 HH21 ARG 96 HH22 ARG 96 4.423 6.742 -9.494 704 HH22 ARG 96 HH21 ARG 96 6.024 7.162 -8.936 705 H ILE 97 H ILE 97 -0.280 3.510 -5.410 706 HA ILE 97 HA ILE 97 -2.591 2.300 -6.627 707 HB ILE 97 HB ILE 97 -2.270 3.434 -3.846 708 HG12 ILE 97 HG13 ILE 97 -2.104 0.516 -4.466 709 HG13 ILE 97 3HG1 ILE 97 -0.694 1.516 -4.794 710 HG21 ILE 97 HG21 ILE 97 -4.596 3.091 -4.527 711 HG22 ILE 97 HG22 ILE 97 -4.227 1.420 -4.950 712 HG23 ILE 97 HG23 ILE 97 -4.120 1.948 -3.271 713 HD11 ILE 97 HD11 ILE 97 -0.636 2.224 -2.480 714 HD12 ILE 97 HD12 ILE 97 -2.074 1.257 -2.140 715 HD13 ILE 97 HD13 ILE 97 -0.570 0.466 -2.609 716 H GLN 98 H GLN 98 -4.261 3.315 -7.446 717 HA GLN 98 HA GLN 98 -4.590 6.190 -6.909 718 HB2 GLN 98 HB2 GLN 98 -3.746 5.524 -9.221 719 HB3 GLN 98 HB3 GLN 98 -5.316 4.782 -9.476 720 HG2 GLN 98 HG2 GLN 98 -6.406 6.928 -9.195 721 HG3 GLN 98 HG3 GLN 98 -4.850 7.691 -8.871 722 HE21 GLN 98 HE21 GLN 98 -3.503 6.028 -10.880 723 HE22 GLN 98 HE22 GLN 98 -3.945 6.691 -12.416 724 H ASN 99 H ASN 99 -6.846 6.919 -7.222 725 HA ASN 99 HA ASN 99 -8.699 4.871 -6.236 726 HB2 ASN 99 HB2 ASN 99 -8.478 6.662 -4.667 727 HB3 ASN 99 HB3 ASN 99 -8.655 7.878 -5.928 728 HD21 ASN 99 HD21 ASN 99 -10.660 8.428 -6.652 729 HD22 ASN 99 HD22 ASN 99 -12.114 7.895 -5.882 730 H VAL 100 H VAL 100 -10.153 4.147 -7.587 731 HA VAL 100 HA VAL 100 -10.951 5.837 -9.865 732 HB VAL 100 HB VAL 100 -11.023 2.818 -9.671 733 HG11 VAL 100 HG11 VAL 100 -11.619 4.653 -11.986 734 HG12 VAL 100 HG12 VAL 100 -11.558 2.892 -12.063 735 HG13 VAL 100 HG13 VAL 100 -12.792 3.691 -11.088 736 HG21 VAL 100 HG21 VAL 100 -9.175 4.612 -11.236 737 HG22 VAL 100 HG22 VAL 100 -8.743 3.670 -9.809 738 HG23 VAL 100 HG23 VAL 100 -9.206 2.849 -11.300 739 H ASN 101 H ASN 101 -12.672 6.879 -8.951 740 HA ASN 101 HA ASN 101 -14.800 7.243 -8.268 741 HB2 ASN 101 HB2 ASN 101 -15.193 5.758 -10.297 742 HB3 ASN 101 HB3 ASN 101 -15.437 4.436 -9.159 743 HD21 ASN 101 HD21 ASN 101 -17.561 4.126 -9.688 744 HD22 ASN 101 HD22 ASN 101 -18.811 5.253 -9.295 745 H GLY 102 H GLY 102 -12.855 5.886 -6.449 746 HA2 GLY 102 HA3 GLY 102 -13.291 5.749 -4.091 747 HA3 GLY 102 HA2 GLY 102 -14.862 5.061 -4.465 748 H ARG 103 H ARG 103 -12.098 3.914 -6.208 749 HA ARG 103 HA ARG 103 -11.959 1.578 -4.437 750 HB2 ARG 103 HB2 ARG 103 -12.088 0.035 -6.200 751 HB3 ARG 103 HB3 ARG 103 -13.339 1.209 -6.575 752 HG2 ARG 103 HG2 ARG 103 -11.765 2.312 -8.141 753 HG3 ARG 103 HG3 ARG 103 -10.612 1.017 -7.831 754 HD2 ARG 103 HD2 ARG 103 -11.766 0.498 -9.851 755 HD3 ARG 103 HD3 ARG 103 -12.341 -0.607 -8.604 756 HE ARG 103 HE ARG 103 -14.174 1.325 -8.459 757 HH11 ARG 103 HH12 ARG 103 -12.818 -0.358 -11.222 758 HH12 ARG 103 HH11 ARG 103 -14.248 -0.164 -12.198 759 HH21 ARG 103 HH22 ARG 103 -16.063 1.555 -9.744 760 HH22 ARG 103 HH21 ARG 103 -16.082 0.909 -11.357 761 H LEU 104 H LEU 104 -9.964 0.898 -3.965 762 HA LEU 104 HA LEU 104 -7.721 2.442 -4.893 763 HB2 LEU 104 HB2 LEU 104 -8.273 0.536 -2.737 764 HB3 LEU 104 HB3 LEU 104 -6.664 0.383 -3.416 765 HG LEU 104 HG LEU 104 -6.072 2.587 -2.795 766 HD11 LEU 104 HD11 LEU 104 -7.675 4.174 -1.817 767 HD12 LEU 104 HD12 LEU 104 -8.075 3.738 -3.480 768 HD13 LEU 104 HD13 LEU 104 -8.978 3.028 -2.142 769 HD21 LEU 104 HD21 LEU 104 -6.042 0.992 -0.955 770 HD22 LEU 104 HD22 LEU 104 -6.462 2.602 -0.373 771 HD23 LEU 104 HD23 LEU 104 -7.720 1.381 -0.570 772 H VAL 105 H VAL 105 -6.587 2.008 -6.640 773 HA VAL 105 HA VAL 105 -6.343 -0.800 -7.522 774 HB VAL 105 HB VAL 105 -6.602 1.601 -9.351 775 HG11 VAL 105 HG11 VAL 105 -6.741 -0.078 -11.141 776 HG12 VAL 105 HG12 VAL 105 -5.195 -0.134 -10.295 777 HG13 VAL 105 HG13 VAL 105 -6.430 -1.348 -9.959 778 HG21 VAL 105 HG21 VAL 105 -8.774 0.646 -9.995 779 HG22 VAL 105 HG22 VAL 105 -8.591 -0.585 -8.745 780 HG23 VAL 105 HG23 VAL 105 -8.734 1.114 -8.295 781 H PHE 106 H PHE 106 -4.312 -1.452 -7.686 782 HA PHE 106 HA PHE 106 -2.147 0.405 -7.291 783 HB2 PHE 106 HB2 PHE 106 -0.759 -1.508 -7.040 784 HB3 PHE 106 HB3 PHE 106 -2.300 -1.952 -6.313 785 HD1 PHE 106 HD1 PHE 106 -3.987 -3.122 -8.005 786 HD2 PHE 106 HD2 PHE 106 0.245 -3.016 -8.450 787 HE1 PHE 106 HE1 PHE 106 -4.095 -5.095 -9.471 788 HE2 PHE 106 HE2 PHE 106 0.143 -4.988 -9.917 789 HZ PHE 106 HZ PHE 106 -2.029 -6.027 -10.433 790 H GLN 107 H GLN 107 -0.537 0.946 -8.772 791 HA GLN 107 HA GLN 107 -0.825 -0.079 -11.502 792 HB2 GLN 107 HB2 GLN 107 -2.040 2.070 -11.383 793 HB3 GLN 107 HB3 GLN 107 -0.580 2.856 -10.801 794 HG2 GLN 107 HG2 GLN 107 0.540 2.256 -12.920 795 HG3 GLN 107 HG3 GLN 107 -0.981 1.579 -13.495 796 HE21 GLN 107 HE21 GLN 107 0.752 4.489 -12.716 797 HE22 GLN 107 HE22 GLN 107 -0.365 5.591 -13.460 Start of MODEL 7 1 H MET 1 H MET 1 -1.869 13.099 -9.517 2 HA MET 1 HA MET 1 -0.031 12.067 -8.351 3 HB2 MET 1 HB2 MET 1 -1.127 13.942 -7.287 4 HB3 MET 1 HB3 MET 1 -2.383 12.897 -6.640 5 HG2 MET 1 HG2 MET 1 -0.777 13.524 -4.929 6 HG3 MET 1 HG3 MET 1 -0.758 11.787 -5.220 7 HE1 MET 1 HE1 MET 1 1.533 11.585 -3.916 8 HE2 MET 1 HE2 MET 1 2.972 12.529 -4.298 9 HE3 MET 1 HE3 MET 1 1.550 13.323 -3.621 10 H SER 2 H SER 2 -2.940 10.971 -6.630 11 HA SER 2 HA SER 2 -2.649 8.234 -6.976 12 HB2 SER 2 HB2 SER 2 -1.718 7.613 -4.721 13 HB3 SER 2 HB3 SER 2 -0.531 8.334 -5.801 14 HG SER 2 HG SER 2 -0.205 9.595 -4.138 15 H TYR 3 H TYR 3 -3.682 7.084 -4.896 16 HA TYR 3 HA TYR 3 -6.259 8.185 -4.591 17 HB2 TYR 3 HB2 TYR 3 -6.699 6.361 -3.116 18 HB3 TYR 3 HB3 TYR 3 -5.569 5.744 -4.317 19 HD1 TYR 3 HD1 TYR 3 -3.051 5.789 -3.645 20 HD2 TYR 3 HD2 TYR 3 -6.249 6.073 -0.858 21 HE1 TYR 3 HE1 TYR 3 -1.539 5.090 -1.844 22 HE2 TYR 3 HE2 TYR 3 -4.748 5.370 0.951 23 HH TYR 3 HH TYR 3 -2.640 4.113 1.205 24 H ALA 4 H ALA 4 -3.297 8.436 -2.794 25 HA ALA 4 HA ALA 4 -4.128 9.369 -0.327 26 HB1 ALA 4 HB1 ALA 4 -1.923 10.339 -0.095 27 HB2 ALA 4 HB2 ALA 4 -1.822 8.764 -0.878 28 HB3 ALA 4 HB3 ALA 4 -1.672 10.235 -1.837 29 H ASP 5 H ASP 5 -4.060 11.058 -3.355 30 HA ASP 5 HA ASP 5 -4.063 13.710 -2.503 31 HB2 ASP 5 HB2 ASP 5 -3.818 13.261 -4.830 32 HB3 ASP 5 HB3 ASP 5 -5.327 12.359 -4.890 33 H SER 6 H SER 6 -6.597 11.315 -2.521 34 HA SER 6 HA SER 6 -8.330 13.194 -1.088 35 HB2 SER 6 HB2 SER 6 -9.222 11.448 -3.397 36 HB3 SER 6 HB3 SER 6 -10.290 12.412 -2.380 37 HG SER 6 HG SER 6 -8.158 13.486 -3.932 38 H SER 7 H SER 7 -6.734 11.183 0.051 39 HA SER 7 HA SER 7 -8.781 9.222 0.863 40 HB2 SER 7 HB2 SER 7 -7.055 7.559 1.160 41 HB3 SER 7 HB3 SER 7 -6.918 8.218 -0.471 42 HG SER 7 HG SER 7 -5.438 9.668 1.247 43 H ARG 8 H ARG 8 -8.710 8.485 3.026 44 HA ARG 8 HA ARG 8 -6.996 9.819 4.944 45 HB2 ARG 8 HB2 ARG 8 -8.687 10.854 6.217 46 HB3 ARG 8 HB3 ARG 8 -9.063 11.292 4.557 47 HG2 ARG 8 HG2 ARG 8 -10.473 8.948 4.959 48 HG3 ARG 8 HG3 ARG 8 -10.632 9.817 6.486 49 HD2 ARG 8 HD2 ARG 8 -12.439 10.437 5.010 50 HD3 ARG 8 HD3 ARG 8 -11.360 11.815 5.241 51 HE ARG 8 HE ARG 8 -11.329 10.095 2.846 52 HH11 ARG 8 HH12 ARG 8 -11.029 13.233 4.376 53 HH12 ARG 8 HH11 ARG 8 -10.727 14.070 2.877 54 HH21 ARG 8 HH22 ARG 8 -10.937 11.199 0.881 55 HH22 ARG 8 HH21 ARG 8 -10.705 12.922 0.890 56 H ASN 9 H ASN 9 -7.486 8.915 7.178 57 HA ASN 9 HA ASN 9 -7.473 7.095 8.524 58 HB2 ASN 9 HB2 ASN 9 -9.993 6.677 6.935 59 HB3 ASN 9 HB3 ASN 9 -9.507 5.540 8.193 60 HD21 ASN 9 HD21 ASN 9 -11.832 7.314 8.050 61 HD22 ASN 9 HD22 ASN 9 -11.745 8.295 9.486 62 H ALA 10 H ALA 10 -5.855 6.941 6.201 63 HA ALA 10 HA ALA 10 -6.034 4.271 5.155 64 HB1 ALA 10 HB1 ALA 10 -3.719 6.179 4.906 65 HB2 ALA 10 HB2 ALA 10 -4.126 4.827 3.848 66 HB3 ALA 10 HB3 ALA 10 -5.155 6.258 3.885 67 H VAL 11 H VAL 11 -5.494 2.576 6.335 68 HA VAL 11 HA VAL 11 -3.031 2.635 7.924 69 HB VAL 11 HB VAL 11 -5.626 1.607 9.105 70 HG11 VAL 11 HG11 VAL 11 -4.363 1.515 11.197 71 HG12 VAL 11 HG12 VAL 11 -3.622 0.510 9.949 72 HG13 VAL 11 HG13 VAL 11 -2.921 2.079 10.352 73 HG21 VAL 11 HG21 VAL 11 -5.595 3.539 10.608 74 HG22 VAL 11 HG22 VAL 11 -4.213 4.199 9.734 75 HG23 VAL 11 HG23 VAL 11 -5.773 4.033 8.925 76 H LEU 12 H LEU 12 -2.203 0.510 8.366 77 HA LEU 12 HA LEU 12 -3.036 -1.450 6.386 78 HB2 LEU 12 HB2 LEU 12 -0.559 -0.723 7.558 79 HB3 LEU 12 HB3 LEU 12 -0.890 -2.374 8.040 80 HG LEU 12 HG LEU 12 -1.008 -3.107 5.770 81 HD11 LEU 12 HD11 LEU 12 -0.732 -1.570 3.883 82 HD12 LEU 12 HD12 LEU 12 -2.186 -1.205 4.813 83 HD13 LEU 12 HD13 LEU 12 -0.747 -0.202 5.000 84 HD21 LEU 12 HD21 LEU 12 1.312 -1.214 6.117 85 HD22 LEU 12 HD22 LEU 12 1.231 -2.874 6.707 86 HD23 LEU 12 HD23 LEU 12 1.230 -2.554 4.972 87 H THR 13 H THR 13 -3.756 -3.497 6.865 88 HA THR 13 HA THR 13 -4.389 -4.071 9.678 89 HB THR 13 HB THR 13 -6.241 -4.575 7.333 90 HG1 THR 13 HG1 THR 13 -5.852 -2.279 7.962 91 HG21 THR 13 HG21 THR 13 -6.566 -6.076 9.249 92 HG22 THR 13 HG22 THR 13 -7.932 -4.974 9.055 93 HG23 THR 13 HG23 THR 13 -6.732 -4.680 10.315 94 H ASN 14 H ASN 14 -4.854 -6.375 10.045 95 HA ASN 14 HA ASN 14 -4.540 -8.618 9.815 96 HB2 ASN 14 HB2 ASN 14 -5.174 -7.886 7.303 97 HB3 ASN 14 HB3 ASN 14 -3.536 -8.461 7.033 98 HD21 ASN 14 HD21 ASN 14 -4.582 -10.098 5.709 99 HD22 ASN 14 HD22 ASN 14 -5.196 -11.530 6.483 100 H GLY 15 H GLY 15 -2.295 -6.397 9.954 101 HA2 GLY 15 HA3 GLY 15 -0.142 -6.763 10.869 102 HA3 GLY 15 HA2 GLY 15 -0.148 -8.378 10.169 103 H GLY 16 H GLY 16 -1.167 -5.680 8.282 104 HA2 GLY 16 HA3 GLY 16 0.066 -4.375 6.748 105 HA3 GLY 16 HA2 GLY 16 1.460 -5.413 7.025 106 H ARG 17 H ARG 17 -1.667 -6.762 6.447 107 HA ARG 17 HA ARG 17 -0.709 -7.764 3.855 108 HB2 ARG 17 HB2 ARG 17 -2.982 -8.953 5.408 109 HB3 ARG 17 HB3 ARG 17 -1.961 -9.708 4.195 110 HG2 ARG 17 HG2 ARG 17 -0.057 -9.455 5.855 111 HG3 ARG 17 HG3 ARG 17 -1.295 -9.066 7.048 112 HD2 ARG 17 HD2 ARG 17 -0.760 -11.422 7.159 113 HD3 ARG 17 HD3 ARG 17 -2.406 -11.204 6.564 114 HE ARG 17 HE ARG 17 -0.161 -11.668 4.713 115 HH11 ARG 17 HH12 ARG 17 -3.314 -12.521 5.974 116 HH12 ARG 17 HH11 ARG 17 -3.622 -13.712 4.748 117 HH21 ARG 17 HH22 ARG 17 -0.546 -13.271 3.138 118 HH22 ARG 17 HH21 ARG 17 -2.044 -14.139 3.138 119 H THR 18 H THR 18 -3.017 -5.795 5.407 120 HA THR 18 HA THR 18 -4.538 -5.572 2.896 121 HB THR 18 HB THR 18 -5.707 -5.395 5.680 122 HG1 THR 18 HG1 THR 18 -6.107 -7.414 3.691 123 HG21 THR 18 HG21 THR 18 -7.035 -5.320 2.967 124 HG22 THR 18 HG22 THR 18 -6.846 -3.952 4.068 125 HG23 THR 18 HG23 THR 18 -7.867 -5.319 4.524 126 H LEU 19 H LEU 19 -4.683 -3.584 2.116 127 HA LEU 19 HA LEU 19 -3.874 -1.316 3.782 128 HB2 LEU 19 HB2 LEU 19 -2.595 -1.557 1.760 129 HB3 LEU 19 HB3 LEU 19 -4.051 -1.704 0.797 130 HG LEU 19 HG LEU 19 -4.609 0.648 1.316 131 HD11 LEU 19 HD11 LEU 19 -1.891 0.690 2.619 132 HD12 LEU 19 HD12 LEU 19 -2.922 2.091 2.325 133 HD13 LEU 19 HD13 LEU 19 -3.440 0.836 3.451 134 HD21 LEU 19 HD21 LEU 19 -1.881 0.205 0.118 135 HD22 LEU 19 HD22 LEU 19 -3.422 0.058 -0.726 136 HD23 LEU 19 HD23 LEU 19 -2.896 1.628 -0.120 137 H ARG 20 H ARG 20 -5.539 -0.309 4.697 138 HA ARG 20 HA ARG 20 -8.068 -0.101 3.204 139 HB2 ARG 20 HB2 ARG 20 -7.885 -1.235 5.540 140 HB3 ARG 20 HB3 ARG 20 -7.757 0.405 6.152 141 HG2 ARG 20 HG2 ARG 20 -10.046 -0.608 4.486 142 HG3 ARG 20 HG3 ARG 20 -10.038 -0.561 6.247 143 HD2 ARG 20 HD2 ARG 20 -9.814 1.804 4.388 144 HD3 ARG 20 HD3 ARG 20 -11.226 1.352 5.340 145 HE ARG 20 HE ARG 20 -8.792 2.626 6.300 146 HH11 ARG 20 HH12 ARG 20 -11.788 0.999 7.106 147 HH12 ARG 20 HH11 ARG 20 -11.879 1.681 8.702 148 HH21 ARG 20 HH22 ARG 20 -8.898 3.525 8.393 149 HH22 ARG 20 HH21 ARG 20 -10.221 3.113 9.446 150 H ALA 21 H ALA 21 -8.647 1.864 2.479 151 HA ALA 21 HA ALA 21 -7.836 4.263 3.912 152 HB1 ALA 21 HB1 ALA 21 -6.848 5.331 1.964 153 HB2 ALA 21 HB2 ALA 21 -5.964 3.858 2.366 154 HB3 ALA 21 HB3 ALA 21 -7.097 3.867 1.013 155 H GLU 22 H GLU 22 -9.298 5.903 3.688 156 HA GLU 22 HA GLU 22 -11.674 5.279 2.092 157 HB2 GLU 22 HB2 GLU 22 -11.379 7.558 4.046 158 HB3 GLU 22 HB3 GLU 22 -12.861 6.809 3.467 159 HG2 GLU 22 HG2 GLU 22 -11.911 4.677 4.610 160 HG3 GLU 22 HG3 GLU 22 -10.911 5.832 5.497 161 H CYS 23 H CYS 23 -11.640 6.043 0.090 162 HA CYS 23 HA CYS 23 -10.441 8.692 -0.381 163 HB2 CYS 23 HB2 CYS 23 -10.112 7.791 -2.747 164 HB3 CYS 23 HB3 CYS 23 -9.077 7.123 -1.489 165 HG CYS 23 HG CYS 23 -11.169 5.585 -3.515 166 H ARG 24 H ARG 24 -11.542 10.156 -1.585 167 HA ARG 24 HA ARG 24 -14.370 9.778 -1.830 168 HB2 ARG 24 HB2 ARG 24 -14.304 11.986 -1.504 169 HB3 ARG 24 HB3 ARG 24 -12.561 12.005 -1.724 170 HG2 ARG 24 HG2 ARG 24 -14.417 12.019 -4.074 171 HG3 ARG 24 HG3 ARG 24 -14.017 13.504 -3.214 172 HD2 ARG 24 HD2 ARG 24 -11.810 13.451 -3.877 173 HD3 ARG 24 HD3 ARG 24 -11.813 11.702 -4.103 174 HE ARG 24 HE ARG 24 -13.411 12.324 -6.059 175 HH11 ARG 24 HH12 ARG 24 -10.533 14.029 -5.006 176 HH12 ARG 24 HH11 ARG 24 -10.202 14.724 -6.567 177 HH21 ARG 24 HH22 ARG 24 -12.958 13.232 -8.147 178 HH22 ARG 24 HH21 ARG 24 -11.573 14.254 -8.345 179 H ASN 25 H ASN 25 -15.584 9.655 -3.703 180 HA ASN 25 HA ASN 25 -14.122 8.609 -5.990 181 HB2 ASN 25 HB2 ASN 25 -16.342 7.922 -6.828 182 HB3 ASN 25 HB3 ASN 25 -15.987 7.313 -5.224 183 HD21 ASN 25 HD21 ASN 25 -18.208 6.951 -4.933 184 HD22 ASN 25 HD22 ASN 25 -19.290 8.255 -4.554 185 H ALA 26 H ALA 26 -15.614 9.122 -8.135 186 HA ALA 26 HA ALA 26 -14.814 11.661 -8.946 187 HB1 ALA 26 HB1 ALA 26 -16.142 11.282 -10.935 188 HB2 ALA 26 HB2 ALA 26 -15.301 9.802 -10.473 189 HB3 ALA 26 HB3 ALA 26 -17.021 9.984 -10.128 190 H ASP 27 H ASP 27 -17.836 10.586 -7.523 191 HA ASP 27 HA ASP 27 -19.313 12.978 -8.055 192 HB2 ASP 27 HB2 ASP 27 -20.330 10.719 -7.633 193 HB3 ASP 27 HB3 ASP 27 -19.854 10.874 -5.949 194 H GLY 28 H GLY 28 -16.961 12.081 -5.766 195 HA2 GLY 28 HA3 GLY 28 -15.896 13.686 -4.376 196 HA3 GLY 28 HA2 GLY 28 -17.392 14.610 -4.347 197 H ASN 29 H ASN 29 -18.067 11.369 -3.964 198 HA ASN 29 HA ASN 29 -18.666 11.765 -1.143 199 HB2 ASN 29 HB2 ASN 29 -20.013 10.473 -3.117 200 HB3 ASN 29 HB3 ASN 29 -19.141 9.127 -2.394 201 HD21 ASN 29 HD21 ASN 29 -21.631 11.466 -1.974 202 HD22 ASN 29 HD22 ASN 29 -22.260 10.851 -0.482 203 H TRP 30 H TRP 30 -17.745 10.599 0.535 204 HA TRP 30 HA TRP 30 -15.116 9.550 0.040 205 HB2 TRP 30 HB2 TRP 30 -16.749 9.846 2.558 206 HB3 TRP 30 HB3 TRP 30 -15.148 9.109 2.541 207 HD1 TRP 30 HD1 TRP 30 -14.538 11.559 0.120 208 HE1 TRP 30 HE1 TRP 30 -13.686 13.789 1.087 209 HE3 TRP 30 HE3 TRP 30 -15.934 10.897 4.997 210 HZ2 TRP 30 HZ2 TRP 30 -13.607 15.078 3.596 211 HZ3 TRP 30 HZ3 TRP 30 -15.430 12.680 6.615 212 HH2 TRP 30 HH2 TRP 30 -14.292 14.727 5.927 213 H VAL 31 H VAL 31 -14.719 7.573 -0.581 214 HA VAL 31 HA VAL 31 -16.614 5.432 0.133 215 HB VAL 31 HB VAL 31 -14.621 5.289 -2.115 216 HG11 VAL 31 HG11 VAL 31 -15.618 3.199 -1.381 217 HG12 VAL 31 HG12 VAL 31 -17.230 3.873 -1.614 218 HG13 VAL 31 HG13 VAL 31 -16.170 3.625 -3.000 219 HG21 VAL 31 HG21 VAL 31 -16.385 5.994 -3.663 220 HG22 VAL 31 HG22 VAL 31 -17.437 6.352 -2.293 221 HG23 VAL 31 HG23 VAL 31 -15.951 7.277 -2.531 222 H THR 32 H THR 32 -15.879 3.990 1.552 223 HA THR 32 HA THR 32 -13.115 3.926 2.327 224 HB THR 32 HB THR 32 -15.256 1.925 3.066 225 HG1 THR 32 HG1 THR 32 -14.633 4.247 4.593 226 HG21 THR 32 HG21 THR 32 -12.789 2.881 4.530 227 HG22 THR 32 HG22 THR 32 -12.947 1.342 3.687 228 HG23 THR 32 HG23 THR 32 -13.934 1.673 5.110 229 H SER 33 H SER 33 -11.662 3.006 1.000 230 HA SER 33 HA SER 33 -12.475 0.602 -0.487 231 HB2 SER 33 HB2 SER 33 -10.235 2.536 -1.112 232 HB3 SER 33 HB3 SER 33 -10.738 1.168 -2.101 233 HG SER 33 HG SER 33 -11.907 3.656 -1.777 234 H GLU 34 H GLU 34 -11.193 -1.195 -0.470 235 HA GLU 34 HA GLU 34 -8.895 -1.199 1.345 236 HB2 GLU 34 HB2 GLU 34 -10.868 -3.465 1.399 237 HB3 GLU 34 HB3 GLU 34 -9.699 -2.987 2.625 238 HG2 GLU 34 HG2 GLU 34 -11.053 -0.935 3.014 239 HG3 GLU 34 HG3 GLU 34 -12.263 -1.583 1.915 240 H LEU 35 H LEU 35 -7.219 -2.328 0.613 241 HA LEU 35 HA LEU 35 -7.633 -4.321 -1.491 242 HB2 LEU 35 HB2 LEU 35 -7.059 -2.406 -2.758 243 HB3 LEU 35 HB3 LEU 35 -5.816 -1.929 -1.621 244 HG LEU 35 HG LEU 35 -4.370 -3.721 -2.348 245 HD11 LEU 35 HD11 LEU 35 -6.609 -4.556 -4.193 246 HD12 LEU 35 HD12 LEU 35 -4.976 -5.229 -4.176 247 HD13 LEU 35 HD13 LEU 35 -6.036 -5.448 -2.782 248 HD21 LEU 35 HD21 LEU 35 -5.585 -2.248 -4.681 249 HD22 LEU 35 HD22 LEU 35 -4.309 -1.653 -3.619 250 HD23 LEU 35 HD23 LEU 35 -4.007 -3.037 -4.670 251 H ASP 36 H ASP 36 -6.778 -6.129 -0.917 252 HA ASP 36 HA ASP 36 -5.011 -6.382 1.281 253 HB2 ASP 36 HB2 ASP 36 -5.985 -8.310 -0.827 254 HB3 ASP 36 HB3 ASP 36 -4.894 -8.782 0.459 255 H LEU 37 H LEU 37 -2.995 -5.749 1.181 256 HA LEU 37 HA LEU 37 -1.477 -5.302 -1.137 257 HB2 LEU 37 HB2 LEU 37 -0.506 -5.907 1.653 258 HB3 LEU 37 HB3 LEU 37 0.411 -5.113 0.376 259 HG LEU 37 HG LEU 37 -2.157 -3.960 1.306 260 HD11 LEU 37 HD11 LEU 37 -1.048 -2.785 3.038 261 HD12 LEU 37 HD12 LEU 37 -0.771 -4.517 3.246 262 HD13 LEU 37 HD13 LEU 37 0.502 -3.494 2.578 263 HD21 LEU 37 HD21 LEU 37 -1.084 -3.071 -0.708 264 HD22 LEU 37 HD22 LEU 37 -1.129 -1.886 0.600 265 HD23 LEU 37 HD23 LEU 37 0.370 -2.740 0.234 266 H ASP 38 H ASP 38 -1.723 -7.995 1.086 267 HA ASP 38 HA ASP 38 0.386 -9.516 -0.007 268 HB2 ASP 38 HB2 ASP 38 -0.291 -11.272 1.350 269 HB3 ASP 38 HB3 ASP 38 -0.902 -9.873 2.227 270 H THR 39 H THR 39 -2.459 -8.572 -1.460 271 HA THR 39 HA THR 39 -2.562 -11.071 -3.017 272 HB THR 39 HB THR 39 -4.672 -9.966 -1.850 273 HG1 THR 39 HG1 THR 39 -5.203 -10.883 -4.443 274 HG21 THR 39 HG21 THR 39 -6.003 -8.696 -3.467 275 HG22 THR 39 HG22 THR 39 -4.634 -8.681 -4.579 276 HG23 THR 39 HG23 THR 39 -4.524 -7.837 -3.034 277 H ILE 40 H ILE 40 -1.361 -7.941 -3.186 278 HA ILE 40 HA ILE 40 -0.980 -8.249 -6.072 279 HB ILE 40 HB ILE 40 -1.418 -5.777 -6.385 280 HG12 ILE 40 HG13 ILE 40 -3.295 -5.076 -4.626 281 HG13 ILE 40 3HG1 ILE 40 -2.356 -6.133 -3.584 282 HG21 ILE 40 HG21 ILE 40 -2.935 -7.446 -7.243 283 HG22 ILE 40 HG22 ILE 40 -3.732 -7.564 -5.675 284 HG23 ILE 40 HG23 ILE 40 -3.847 -6.075 -6.612 285 HD11 ILE 40 HD11 ILE 40 -1.301 -3.733 -5.050 286 HD12 ILE 40 HD12 ILE 40 -1.701 -3.814 -3.335 287 HD13 ILE 40 HD13 ILE 40 -0.380 -4.787 -3.978 288 H ILE 41 H ILE 41 0.509 -8.090 -3.318 289 HA ILE 41 HA ILE 41 2.717 -6.436 -4.357 290 HB ILE 41 HB ILE 41 1.800 -6.646 -1.490 291 HG12 ILE 41 HG13 ILE 41 1.613 -4.559 -3.602 292 HG13 ILE 41 3HG1 ILE 41 0.461 -5.001 -2.350 293 HG21 ILE 41 HG21 ILE 41 3.627 -5.142 -0.920 294 HG22 ILE 41 HG22 ILE 41 4.227 -6.674 -1.563 295 HG23 ILE 41 HG23 ILE 41 4.225 -5.230 -2.579 296 HD11 ILE 41 HD11 ILE 41 1.326 -2.785 -1.954 297 HD12 ILE 41 HD12 ILE 41 1.862 -3.882 -0.682 298 HD13 ILE 41 HD13 ILE 41 2.977 -3.408 -1.963 299 H GLY 42 H GLY 42 4.647 -7.445 -4.420 300 HA2 GLY 42 HA3 GLY 42 4.845 -10.019 -2.980 301 HA3 GLY 42 HA2 GLY 42 5.377 -9.849 -4.644 302 H ASN 43 H ASN 43 6.981 -10.763 -2.529 303 HA ASN 43 HA ASN 43 8.883 -8.537 -2.220 304 HB2 ASN 43 HB2 ASN 43 8.269 -9.242 -0.036 305 HB3 ASN 43 HB3 ASN 43 8.356 -10.939 -0.477 306 HD21 ASN 43 HD21 ASN 43 9.732 -11.370 1.232 307 HD22 ASN 43 HD22 ASN 43 11.412 -10.924 1.184 308 H ASN 44 H ASN 44 10.340 -8.644 -3.747 309 HA ASN 44 HA ASN 44 11.277 -11.219 -4.765 310 HB2 ASN 44 HB2 ASN 44 10.640 -9.363 -6.332 311 HB3 ASN 44 HB3 ASN 44 11.973 -8.415 -5.686 312 HD21 ASN 44 HD21 ASN 44 14.086 -8.994 -6.194 313 HD22 ASN 44 HD22 ASN 44 14.461 -10.085 -7.483 314 H ASP 45 H ASP 45 12.328 -11.742 -2.761 315 HA ASP 45 HA ASP 45 13.975 -11.764 -1.184 316 HB2 ASP 45 HB2 ASP 45 16.240 -12.029 -2.137 317 HB3 ASP 45 HB3 ASP 45 15.024 -13.010 -2.934 318 H GLY 46 H GLY 46 13.026 -9.530 -0.616 319 HA2 GLY 46 HA3 GLY 46 13.746 -7.702 0.645 320 HA3 GLY 46 HA2 GLY 46 15.344 -7.862 -0.067 321 H HIS 47 H HIS 47 12.326 -7.652 -1.868 322 HA HIS 47 HA HIS 47 12.684 -4.850 -2.460 323 HB2 HIS 47 HB2 HIS 47 14.344 -5.982 -3.955 324 HB3 HIS 47 HB3 HIS 47 13.014 -6.860 -4.700 325 HD1 HIS 47 HD1 HIS 47 11.736 -5.686 -6.536 326 HD2 HIS 47 HD2 HIS 47 14.303 -3.149 -4.458 327 HE1 HIS 47 HE1 HIS 47 11.750 -3.526 -7.819 328 HE2 HIS 47 HE2 HIS 47 13.152 -1.949 -6.440 329 H PHE 48 H PHE 48 10.653 -4.102 -2.433 330 HA PHE 48 HA PHE 48 8.368 -5.721 -2.683 331 HB2 PHE 48 HB2 PHE 48 8.738 -2.737 -2.824 332 HB3 PHE 48 HB3 PHE 48 7.158 -3.490 -3.001 333 HD1 PHE 48 HD2 PHE 48 6.507 -5.153 -1.082 334 HD2 PHE 48 HD1 PHE 48 9.438 -2.088 -0.742 335 HE1 PHE 48 HE2 PHE 48 6.246 -5.181 1.364 336 HE2 PHE 48 HE1 PHE 48 9.185 -2.114 1.706 337 HZ PHE 48 HZ PHE 48 7.584 -3.658 2.761 338 H GLN 49 H GLN 49 7.008 -6.160 -4.323 339 HA GLN 49 HA GLN 49 7.602 -5.026 -6.956 340 HB2 GLN 49 HB2 GLN 49 8.651 -7.119 -7.138 341 HB3 GLN 49 HB3 GLN 49 7.406 -7.929 -6.199 342 HG2 GLN 49 HG2 GLN 49 5.941 -8.031 -7.977 343 HG3 GLN 49 HG3 GLN 49 6.709 -6.695 -8.827 344 HE21 GLN 49 HE21 GLN 49 6.847 -10.094 -8.110 345 HE22 GLN 49 HE22 GLN 49 8.009 -10.512 -9.323 346 H TRP 50 H TRP 50 5.859 -4.034 -7.644 347 HA TRP 50 HA TRP 50 3.278 -4.498 -6.556 348 HB2 TRP 50 HB2 TRP 50 4.244 -2.895 -8.931 349 HB3 TRP 50 HB3 TRP 50 2.542 -3.000 -8.497 350 HD1 TRP 50 HD1 TRP 50 5.564 -0.974 -7.815 351 HE1 TRP 50 HE1 TRP 50 5.142 0.632 -5.835 352 HE3 TRP 50 HE3 TRP 50 1.236 -3.015 -6.028 353 HZ2 TRP 50 HZ2 TRP 50 3.234 0.972 -3.797 354 HZ3 TRP 50 HZ3 TRP 50 0.174 -1.995 -4.061 355 HH2 TRP 50 HH2 TRP 50 1.151 -0.043 -2.972 356 H GLY 51 H GLY 51 2.064 -6.183 -6.976 357 HA2 GLY 51 HA3 GLY 51 0.726 -7.485 -8.455 358 HA3 GLY 51 HA2 GLY 51 1.894 -7.183 -9.734 359 H GLY 52 H GLY 52 2.579 -8.284 -6.443 360 HA2 GLY 52 HA3 GLY 52 3.716 -10.731 -7.636 361 HA3 GLY 52 HA2 GLY 52 4.323 -9.963 -6.180 362 H GLN 53 H GLN 53 2.153 -9.607 -4.646 363 HA GLN 53 HA GLN 53 0.653 -10.559 -3.249 364 HB2 GLN 53 HB2 GLN 53 -0.730 -11.301 -4.972 365 HB3 GLN 53 HB3 GLN 53 0.433 -12.491 -5.531 366 HG2 GLN 53 HG2 GLN 53 0.010 -13.831 -3.527 367 HG3 GLN 53 HG3 GLN 53 -1.155 -12.626 -2.980 368 HE21 GLN 53 HE21 GLN 53 -3.133 -12.441 -4.051 369 HE22 GLN 53 HE22 GLN 53 -3.737 -13.705 -5.065 370 H ASN 54 H ASN 54 0.688 -11.884 -1.492 371 HA ASN 54 HA ASN 54 1.462 -13.312 0.082 372 HB2 ASN 54 HB2 ASN 54 2.557 -14.636 -2.345 373 HB3 ASN 54 HB3 ASN 54 3.214 -15.107 -0.782 374 HD21 ASN 54 HD21 ASN 54 2.398 -17.107 -0.691 375 HD22 ASN 54 HD22 ASN 54 0.702 -17.467 -0.608 376 H PHE 55 H PHE 55 2.820 -10.817 -0.614 377 HA PHE 55 HA PHE 55 5.623 -11.257 -0.247 378 HB2 PHE 55 HB2 PHE 55 5.880 -8.963 -0.432 379 HB3 PHE 55 HB3 PHE 55 4.357 -9.184 -1.278 380 HD1 PHE 55 HD1 PHE 55 2.210 -8.686 -0.065 381 HD2 PHE 55 HD2 PHE 55 6.029 -7.588 1.458 382 HE1 PHE 55 HE1 PHE 55 1.146 -7.017 1.392 383 HE2 PHE 55 HE2 PHE 55 4.971 -5.919 2.921 384 HZ PHE 55 HZ PHE 55 2.523 -5.634 2.889 385 H THR 56 H THR 56 2.870 -10.799 1.805 386 HA THR 56 HA THR 56 4.221 -10.062 4.166 387 HB THR 56 HB THR 56 2.079 -10.881 5.275 388 HG1 THR 56 HG1 THR 56 0.648 -10.859 2.983 389 HG21 THR 56 HG21 THR 56 2.410 -8.553 4.694 390 HG22 THR 56 HG22 THR 56 0.750 -9.027 4.329 391 HG23 THR 56 HG23 THR 56 1.930 -8.878 3.027 392 H GLU 57 H GLU 57 3.868 -13.097 2.561 393 HA GLU 57 HA GLU 57 4.224 -14.701 4.916 394 HB2 GLU 57 HB2 GLU 57 4.086 -16.554 3.537 395 HB3 GLU 57 HB3 GLU 57 3.193 -15.369 2.597 396 HG2 GLU 57 HG2 GLU 57 4.994 -15.056 1.111 397 HG3 GLU 57 HG3 GLU 57 6.097 -15.946 2.158 398 H THR 58 H THR 58 6.220 -12.781 3.028 399 HA THR 58 HA THR 58 8.622 -14.092 4.112 400 HB THR 58 HB THR 58 9.849 -13.375 2.102 401 HG1 THR 58 HG1 THR 58 7.486 -12.829 0.714 402 HG21 THR 58 HG21 THR 58 8.878 -14.941 0.502 403 HG22 THR 58 HG22 THR 58 7.365 -14.945 1.408 404 HG23 THR 58 HG23 THR 58 8.828 -15.617 2.130 405 H ALA 59 H ALA 59 6.732 -11.705 4.705 406 HA ALA 59 HA ALA 59 8.869 -9.760 5.193 407 HB1 ALA 59 HB1 ALA 59 7.313 -7.938 4.746 408 HB2 ALA 59 HB2 ALA 59 7.483 -8.980 3.333 409 HB3 ALA 59 HB3 ALA 59 6.047 -9.105 4.350 410 H GLU 60 H GLU 60 8.657 -8.485 7.028 411 HA GLU 60 HA GLU 60 6.546 -9.109 8.947 412 HB2 GLU 60 HB2 GLU 60 8.811 -8.955 10.539 413 HB3 GLU 60 HB3 GLU 60 7.886 -10.403 10.183 414 HG2 GLU 60 HG2 GLU 60 9.367 -11.037 8.459 415 HG3 GLU 60 HG3 GLU 60 10.184 -9.469 8.470 416 H ASP 61 H ASP 61 6.913 -7.604 10.938 417 HA ASP 61 HA ASP 61 6.752 -5.433 11.649 418 HB2 ASP 61 HB2 ASP 61 9.372 -6.038 11.299 419 HB3 ASP 61 HB3 ASP 61 9.224 -4.651 10.231 420 H ILE 62 H ILE 62 5.064 -5.538 9.767 421 HA ILE 62 HA ILE 62 5.678 -3.668 7.630 422 HB ILE 62 HB ILE 62 3.016 -5.015 7.949 423 HG12 ILE 62 HG13 ILE 62 5.613 -6.259 7.026 424 HG13 ILE 62 3HG1 ILE 62 4.489 -6.867 8.228 425 HG21 ILE 62 HG21 ILE 62 3.106 -4.953 5.483 426 HG22 ILE 62 HG22 ILE 62 3.248 -3.352 6.209 427 HG23 ILE 62 HG23 ILE 62 4.680 -4.166 5.579 428 HD11 ILE 62 HD11 ILE 62 2.854 -7.327 6.481 429 HD12 ILE 62 HD12 ILE 62 3.979 -6.710 5.270 430 HD13 ILE 62 HD13 ILE 62 4.380 -8.165 6.183 431 H ARG 63 H ARG 63 5.433 -1.611 8.096 432 HA ARG 63 HA ARG 63 2.964 -0.790 9.444 433 HB2 ARG 63 HB2 ARG 63 4.287 1.153 10.410 434 HB3 ARG 63 HB3 ARG 63 4.535 -0.418 11.147 435 HG2 ARG 63 HG2 ARG 63 6.389 0.610 9.035 436 HG3 ARG 63 HG3 ARG 63 6.559 1.075 10.727 437 HD2 ARG 63 HD2 ARG 63 6.755 -1.677 9.527 438 HD3 ARG 63 HD3 ARG 63 7.995 -0.779 10.403 439 HE ARG 63 HE ARG 63 5.847 -2.359 11.523 440 HH11 ARG 63 HH12 ARG 63 8.188 0.187 12.102 441 HH12 ARG 63 HH11 ARG 63 8.112 0.053 13.831 442 HH21 ARG 63 HH22 ARG 63 5.732 -2.523 13.809 443 HH22 ARG 63 HH21 ARG 63 6.712 -1.488 14.801 444 H PHE 64 H PHE 64 1.826 0.618 8.365 445 HA PHE 64 HA PHE 64 2.889 1.615 5.849 446 HB2 PHE 64 HB2 PHE 64 0.785 0.510 5.663 447 HB3 PHE 64 HB3 PHE 64 0.115 1.418 7.012 448 HD1 PHE 64 HD1 PHE 64 1.997 2.665 4.044 449 HD2 PHE 64 HD2 PHE 64 -1.701 2.512 6.136 450 HE1 PHE 64 HE1 PHE 64 1.056 4.333 2.501 451 HE2 PHE 64 HE2 PHE 64 -2.640 4.169 4.594 452 HZ PHE 64 HZ PHE 64 -1.270 5.079 2.770 453 H HIS 65 H HIS 65 3.264 3.663 5.383 454 HA HIS 65 HA HIS 65 2.592 5.711 7.409 455 HB2 HIS 65 HB2 HIS 65 5.076 5.007 7.037 456 HB3 HIS 65 HB3 HIS 65 4.943 5.912 5.537 457 HD1 HIS 65 HD1 HIS 65 6.981 7.079 7.171 458 HD2 HIS 65 HD2 HIS 65 2.988 7.957 7.922 459 HE1 HIS 65 HE1 HIS 65 6.996 9.215 8.488 460 HE2 HIS 65 HE2 HIS 65 4.572 9.817 8.775 461 HA PRO 66 HA PRO 66 0.213 6.674 3.532 462 HB2 PRO 66 HB2 PRO 66 -1.454 8.372 4.997 463 HB3 PRO 66 HB3 PRO 66 -1.798 6.720 4.517 464 HG2 PRO 66 HG2 PRO 66 -0.906 7.772 7.121 465 HG3 PRO 66 HG3 PRO 66 -1.888 6.341 6.754 466 HD2 PRO 66 HD2 PRO 66 0.717 6.210 7.524 467 HD3 PRO 66 HD3 PRO 66 -0.042 5.004 6.468 468 H LYS 67 H LYS 67 1.101 8.866 6.066 469 HA LYS 67 HA LYS 67 1.746 10.879 4.006 470 HB2 LYS 67 HB2 LYS 67 0.950 11.519 6.849 471 HB3 LYS 67 HB3 LYS 67 1.175 12.651 5.528 472 HG2 LYS 67 HG2 LYS 67 -1.071 12.570 5.476 473 HG3 LYS 67 HG3 LYS 67 -0.773 11.137 4.487 474 HD2 LYS 67 HD2 LYS 67 -1.550 9.739 6.063 475 HD3 LYS 67 HD3 LYS 67 -0.778 10.633 7.375 476 HE2 LYS 67 HE2 LYS 67 -3.353 11.342 5.976 477 HE3 LYS 67 HE3 LYS 67 -3.188 10.714 7.617 478 HZ1 LYS 67 HZ1 LYS 67 -1.867 12.749 8.125 479 HZ2 LYS 67 HZ2 LYS 67 -3.490 13.050 7.757 480 HZ3 LYS 67 HZ3 LYS 67 -2.290 13.356 6.597 481 H GLU 68 H GLU 68 3.867 9.956 3.926 482 HA GLU 68 HA GLU 68 5.497 9.819 6.236 483 HB2 GLU 68 HB2 GLU 68 6.114 8.454 4.397 484 HB3 GLU 68 HB3 GLU 68 6.172 9.832 3.303 485 HG2 GLU 68 HG2 GLU 68 8.176 10.594 4.139 486 HG3 GLU 68 HG3 GLU 68 7.977 9.738 5.674 487 H GLY 69 H GLY 69 6.114 11.440 7.406 488 HA2 GLY 69 HA3 GLY 69 6.890 13.464 8.094 489 HA3 GLY 69 HA2 GLY 69 7.876 13.414 6.644 490 H ALA 70 H ALA 70 7.771 15.624 6.411 491 HA ALA 70 HA ALA 70 5.283 17.027 6.167 492 HB1 ALA 70 HB1 ALA 70 6.664 18.920 5.472 493 HB2 ALA 70 HB2 ALA 70 7.327 18.152 6.916 494 HB3 ALA 70 HB3 ALA 70 8.068 17.858 5.342 495 H ALA 71 H ALA 71 6.939 14.913 4.218 496 HA ALA 71 HA ALA 71 6.348 16.072 1.656 497 HB1 ALA 71 HB1 ALA 71 7.195 13.272 2.435 498 HB2 ALA 71 HB2 ALA 71 7.126 13.901 0.787 499 HB3 ALA 71 HB3 ALA 71 8.267 14.586 1.943 500 H GLU 72 H GLU 72 4.784 14.063 3.988 501 HA GLU 72 HA GLU 72 2.841 12.889 4.030 502 HB2 GLU 72 HB2 GLU 72 2.040 15.252 2.329 503 HB3 GLU 72 HB3 GLU 72 0.893 14.100 3.000 504 HG2 GLU 72 HG2 GLU 72 1.691 14.672 5.263 505 HG3 GLU 72 HG3 GLU 72 2.751 15.886 4.551 506 H GLN 73 H GLN 73 4.397 11.542 2.519 507 HA GLN 73 HA GLN 73 2.825 10.866 0.129 508 HB2 GLN 73 HB2 GLN 73 5.805 10.663 0.585 509 HB3 GLN 73 HB3 GLN 73 4.980 9.886 -0.760 510 HG2 GLN 73 HG2 GLN 73 4.215 12.063 -1.555 511 HG3 GLN 73 HG3 GLN 73 5.040 12.843 -0.207 512 HE21 GLN 73 HE21 GLN 73 5.422 11.198 -3.238 513 HE22 GLN 73 HE22 GLN 73 7.087 11.597 -3.481 514 HA PRO 74 HA PRO 74 2.114 7.107 2.336 515 HB2 PRO 74 HB2 PRO 74 0.795 5.788 0.381 516 HB3 PRO 74 HB3 PRO 74 0.056 7.096 1.310 517 HG2 PRO 74 HG2 PRO 74 1.293 7.182 -1.414 518 HG3 PRO 74 HG3 PRO 74 -0.215 7.925 -0.848 519 HD2 PRO 74 HD2 PRO 74 2.097 9.318 -1.098 520 HD3 PRO 74 HD3 PRO 74 0.888 9.698 0.143 521 H ILE 75 H ILE 75 3.863 5.946 2.691 522 HA ILE 75 HA ILE 75 4.794 4.218 0.521 523 HB ILE 75 HB ILE 75 7.077 4.540 0.913 524 HG12 ILE 75 HG13 ILE 75 7.578 6.354 2.898 525 HG13 ILE 75 3HG1 ILE 75 6.228 5.448 3.578 526 HG21 ILE 75 HG21 ILE 75 5.767 7.241 1.159 527 HG22 ILE 75 HG22 ILE 75 7.465 6.983 0.751 528 HG23 ILE 75 HG23 ILE 75 6.198 6.391 -0.326 529 HD11 ILE 75 HD11 ILE 75 8.380 4.513 4.247 530 HD12 ILE 75 HD12 ILE 75 7.451 3.369 3.275 531 HD13 ILE 75 HD13 ILE 75 8.795 4.255 2.553 532 H LEU 76 H LEU 76 5.303 2.162 1.161 533 HA LEU 76 HA LEU 76 4.640 1.541 3.958 534 HB2 LEU 76 HB2 LEU 76 3.024 0.708 2.316 535 HB3 LEU 76 HB3 LEU 76 4.301 -0.128 1.465 536 HG LEU 76 HG LEU 76 2.673 -1.402 3.077 537 HD11 LEU 76 HD11 LEU 76 4.520 -2.416 1.822 538 HD12 LEU 76 HD12 LEU 76 5.644 -1.914 3.086 539 HD13 LEU 76 HD13 LEU 76 4.382 -3.093 3.445 540 HD21 LEU 76 HD21 LEU 76 3.532 -1.672 5.313 541 HD22 LEU 76 HD22 LEU 76 4.820 -0.514 4.985 542 HD23 LEU 76 HD23 LEU 76 3.140 0.022 5.016 543 H ARG 77 H ARG 77 6.191 0.704 5.175 544 HA ARG 77 HA ARG 77 8.475 -0.554 3.816 545 HB2 ARG 77 HB2 ARG 77 10.024 0.373 5.326 546 HB3 ARG 77 HB3 ARG 77 8.978 1.710 4.881 547 HG2 ARG 77 HG2 ARG 77 8.526 0.113 7.380 548 HG3 ARG 77 HG3 ARG 77 9.641 1.476 7.328 549 HD2 ARG 77 HD2 ARG 77 6.728 1.596 6.590 550 HD3 ARG 77 HD3 ARG 77 7.389 2.090 8.150 551 HE ARG 77 HE ARG 77 7.747 3.455 5.584 552 HH11 ARG 77 HH12 ARG 77 8.333 3.338 9.036 553 HH12 ARG 77 HH11 ARG 77 8.876 4.989 9.122 554 HH21 ARG 77 HH22 ARG 77 8.487 5.651 5.708 555 HH22 ARG 77 HH21 ARG 77 8.964 6.283 7.259 556 H ALA 78 H ALA 78 9.288 -2.375 4.669 557 HA ALA 78 HA ALA 78 8.462 -3.450 7.203 558 HB1 ALA 78 HB1 ALA 78 6.480 -3.958 5.853 559 HB2 ALA 78 HB2 ALA 78 7.494 -4.808 4.687 560 HB3 ALA 78 HB3 ALA 78 7.334 -5.425 6.331 561 H ARG 79 H ARG 79 9.362 -5.759 7.420 562 HA ARG 79 HA ARG 79 12.070 -5.754 6.360 563 HB2 ARG 79 HB2 ARG 79 10.957 -7.973 8.051 564 HB3 ARG 79 HB3 ARG 79 12.599 -7.358 7.985 565 HG2 ARG 79 HG2 ARG 79 10.222 -6.129 9.357 566 HG3 ARG 79 HG3 ARG 79 11.693 -6.769 10.091 567 HD2 ARG 79 HD2 ARG 79 12.987 -4.984 8.975 568 HD3 ARG 79 HD3 ARG 79 11.476 -4.340 8.331 569 HE ARG 79 HE ARG 79 10.802 -3.973 10.689 570 HH11 ARG 79 HH12 ARG 79 14.215 -4.260 9.926 571 HH12 ARG 79 HH11 ARG 79 14.712 -3.250 11.256 572 HH21 ARG 79 HH22 ARG 79 11.452 -2.689 12.426 573 HH22 ARG 79 HH21 ARG 79 13.147 -2.386 12.690 574 H LEU 80 H LEU 80 12.435 -6.669 4.452 575 HA LEU 80 HA LEU 80 10.631 -8.768 3.499 576 HB2 LEU 80 HB2 LEU 80 12.263 -6.657 2.231 577 HB3 LEU 80 HB3 LEU 80 12.166 -8.177 1.363 578 HG LEU 80 HG LEU 80 9.833 -8.000 1.108 579 HD11 LEU 80 HD11 LEU 80 9.242 -7.301 3.333 580 HD12 LEU 80 HD12 LEU 80 9.880 -5.685 3.009 581 HD13 LEU 80 HD13 LEU 80 8.469 -6.272 2.125 582 HD21 LEU 80 HD21 LEU 80 11.032 -6.636 -0.444 583 HD22 LEU 80 HD22 LEU 80 9.546 -5.809 0.019 584 HD23 LEU 80 HD23 LEU 80 11.088 -5.305 0.715 585 H ARG 81 H ARG 81 11.273 -10.784 3.220 586 HA ARG 81 HA ARG 81 13.870 -11.570 4.125 587 HB2 ARG 81 HB2 ARG 81 12.041 -13.003 4.665 588 HB3 ARG 81 HB3 ARG 81 11.549 -13.126 2.983 589 HG2 ARG 81 HG2 ARG 81 14.281 -14.037 3.549 590 HG3 ARG 81 HG3 ARG 81 13.008 -14.988 4.303 591 HD2 ARG 81 HD2 ARG 81 11.911 -15.015 1.990 592 HD3 ARG 81 HD3 ARG 81 13.461 -14.421 1.392 593 HE ARG 81 HE ARG 81 14.474 -16.465 2.132 594 HH11 ARG 81 HH12 ARG 81 10.976 -16.443 2.106 595 HH12 ARG 81 HH11 ARG 81 10.829 -18.169 2.017 596 HH21 ARG 81 HH22 ARG 81 14.303 -18.737 2.004 597 HH22 ARG 81 HH21 ARG 81 12.730 -19.478 1.966 598 H ASP 82 H ASP 82 15.584 -12.201 3.028 599 HA ASP 82 HA ASP 82 15.602 -11.697 0.150 600 HB2 ASP 82 HB2 ASP 82 17.832 -12.102 2.138 601 HB3 ASP 82 HB3 ASP 82 18.086 -11.959 0.406 602 H CYS 83 H CYS 83 17.172 -13.202 -1.094 603 HA CYS 83 HA CYS 83 16.058 -15.776 -1.117 604 HB2 CYS 83 HB2 CYS 83 17.188 -14.616 -3.049 605 HB3 CYS 83 HB3 CYS 83 18.731 -14.984 -2.287 606 HG CYS 83 HG CYS 83 16.491 -17.391 -3.245 607 H ASN 84 H ASN 84 18.699 -14.420 0.624 608 HA ASN 84 HA ASN 84 20.073 -16.808 1.308 609 HB2 ASN 84 HB2 ASN 84 21.092 -14.565 1.435 610 HB3 ASN 84 HB3 ASN 84 19.978 -14.132 2.724 611 HD21 ASN 84 HD21 ASN 84 21.604 -13.695 4.161 612 HD22 ASN 84 HD22 ASN 84 22.587 -14.937 4.878 613 H GLY 85 H GLY 85 17.165 -15.376 2.385 614 HA2 GLY 85 HA3 GLY 85 15.559 -16.423 3.740 615 HA3 GLY 85 HA2 GLY 85 16.813 -17.483 4.376 616 H GLU 86 H GLU 86 16.897 -14.013 4.082 617 HA GLU 86 HA GLU 86 16.986 -13.778 7.012 618 HB2 GLU 86 HB2 GLU 86 18.674 -12.061 6.788 619 HB3 GLU 86 HB3 GLU 86 19.210 -13.495 5.927 620 HG2 GLU 86 HG2 GLU 86 18.440 -12.469 3.818 621 HG3 GLU 86 HG3 GLU 86 18.044 -11.005 4.716 622 H PHE 87 H PHE 87 16.962 -11.018 7.173 623 HA PHE 87 HA PHE 87 14.626 -10.205 5.605 624 HB2 PHE 87 HB2 PHE 87 14.783 -10.076 8.622 625 HB3 PHE 87 HB3 PHE 87 13.559 -9.258 7.655 626 HD1 PHE 87 HD2 PHE 87 11.917 -10.586 6.364 627 HD2 PHE 87 HD1 PHE 87 14.641 -12.400 9.088 628 HE1 PHE 87 HE2 PHE 87 10.538 -12.623 6.384 629 HE2 PHE 87 HE1 PHE 87 13.267 -14.442 9.106 630 HZ PHE 87 HZ PHE 87 11.213 -14.554 7.754 631 H HIS 88 H HIS 88 14.520 -8.222 5.026 632 HA HIS 88 HA HIS 88 16.441 -6.273 6.082 633 HB2 HIS 88 HB2 HIS 88 16.356 -7.466 3.393 634 HB3 HIS 88 HB3 HIS 88 16.468 -5.719 3.419 635 HD1 HIS 88 HD1 HIS 88 18.580 -4.739 4.812 636 HD2 HIS 88 HD2 HIS 88 18.689 -8.778 3.813 637 HE1 HIS 88 HE1 HIS 88 20.990 -5.440 5.054 638 HE2 HIS 88 HE2 HIS 88 21.051 -7.837 4.268 639 H ASP 89 H ASP 89 15.352 -4.511 6.625 640 HA ASP 89 HA ASP 89 12.652 -4.108 5.914 641 HB2 ASP 89 HB2 ASP 89 12.816 -1.981 7.088 642 HB3 ASP 89 HB3 ASP 89 13.614 -3.248 8.010 643 H ARG 90 H ARG 90 11.929 -3.600 3.979 644 HA ARG 90 HA ARG 90 13.448 -1.627 2.391 645 HB2 ARG 90 HB2 ARG 90 11.557 -3.795 1.446 646 HB3 ARG 90 HB3 ARG 90 12.349 -2.619 0.404 647 HG2 ARG 90 HG2 ARG 90 13.674 -4.765 2.048 648 HG3 ARG 90 HG3 ARG 90 13.529 -4.703 0.289 649 HD2 ARG 90 HD2 ARG 90 14.885 -2.639 0.287 650 HD3 ARG 90 HD3 ARG 90 15.075 -2.784 2.034 651 HE ARG 90 HE ARG 90 15.922 -5.067 0.448 652 HH11 ARG 90 HH12 ARG 90 16.860 -2.158 2.164 653 HH12 ARG 90 HH11 ARG 90 18.538 -2.595 2.247 654 HH21 ARG 90 HH22 ARG 90 18.114 -5.649 0.552 655 HH22 ARG 90 HH21 ARG 90 19.258 -4.580 1.330 656 H ASP 91 H ASP 91 11.765 -0.573 0.723 657 HA ASP 91 HA ASP 91 9.269 0.071 2.068 658 HB2 ASP 91 HB2 ASP 91 9.646 2.477 1.943 659 HB3 ASP 91 HB3 ASP 91 10.885 1.725 2.938 660 H VAL 92 H VAL 92 7.744 1.023 0.668 661 HA VAL 92 HA VAL 92 8.489 1.133 -2.156 662 HB VAL 92 HB VAL 92 7.624 -1.139 -1.711 663 HG11 VAL 92 HG11 VAL 92 5.235 -1.464 -1.238 664 HG12 VAL 92 HG12 VAL 92 6.084 -0.678 0.096 665 HG13 VAL 92 HG13 VAL 92 5.066 0.274 -0.987 666 HG21 VAL 92 HG21 VAL 92 6.004 -1.180 -3.542 667 HG22 VAL 92 HG22 VAL 92 5.903 0.580 -3.468 668 HG23 VAL 92 HG23 VAL 92 7.425 -0.199 -3.903 669 H ASN 93 H ASN 93 7.216 2.422 -3.409 670 HA ASN 93 HA ASN 93 5.868 4.542 -1.983 671 HB2 ASN 93 HB2 ASN 93 6.631 4.105 -4.859 672 HB3 ASN 93 HB3 ASN 93 5.566 5.422 -4.396 673 HD21 ASN 93 HD21 ASN 93 8.778 4.173 -4.325 674 HD22 ASN 93 HD22 ASN 93 9.549 5.602 -3.714 675 H LEU 94 H LEU 94 3.803 4.303 -1.399 676 HA LEU 94 HA LEU 94 2.072 2.502 -2.843 677 HB2 LEU 94 HB2 LEU 94 1.505 4.323 -0.508 678 HB3 LEU 94 HB3 LEU 94 0.349 3.198 -1.193 679 HG LEU 94 HG LEU 94 2.698 2.690 0.550 680 HD11 LEU 94 HD11 LEU 94 0.457 2.667 1.461 681 HD12 LEU 94 HD12 LEU 94 -0.034 1.451 0.281 682 HD13 LEU 94 HD13 LEU 94 1.159 1.049 1.517 683 HD21 LEU 94 HD21 LEU 94 1.665 0.636 -1.402 684 HD22 LEU 94 HD22 LEU 94 3.243 1.421 -1.487 685 HD23 LEU 94 HD23 LEU 94 2.855 0.367 -0.129 686 H ASN 95 H ASN 95 3.084 5.548 -3.414 687 HA ASN 95 HA ASN 95 0.780 6.980 -4.129 688 HB2 ASN 95 HB2 ASN 95 3.449 7.133 -5.548 689 HB3 ASN 95 HB3 ASN 95 2.212 8.382 -5.485 690 HD21 ASN 95 HD21 ASN 95 4.851 6.906 -3.897 691 HD22 ASN 95 HD22 ASN 95 4.938 7.971 -2.554 692 H ARG 96 H ARG 96 2.148 4.200 -5.458 693 HA ARG 96 HA ARG 96 1.440 4.495 -8.183 694 HB2 ARG 96 HB2 ARG 96 2.119 2.173 -6.414 695 HB3 ARG 96 HB3 ARG 96 1.485 1.882 -8.024 696 HG2 ARG 96 HG2 ARG 96 3.940 1.798 -7.912 697 HG3 ARG 96 HG3 ARG 96 3.340 3.020 -9.029 698 HD2 ARG 96 HD2 ARG 96 4.033 3.757 -6.207 699 HD3 ARG 96 HD3 ARG 96 5.299 3.590 -7.425 700 HE ARG 96 HE ARG 96 3.040 5.343 -8.004 701 HH11 ARG 96 HH12 ARG 96 6.422 4.962 -7.204 702 HH12 ARG 96 HH11 ARG 96 6.818 6.629 -7.528 703 HH21 ARG 96 HH22 ARG 96 3.546 7.533 -8.448 704 HH22 ARG 96 HH21 ARG 96 5.192 8.079 -8.275 705 H ILE 97 H ILE 97 -0.298 3.735 -5.322 706 HA ILE 97 HA ILE 97 -2.545 2.485 -6.634 707 HB ILE 97 HB ILE 97 -2.329 3.566 -3.819 708 HG12 ILE 97 HG13 ILE 97 -2.050 0.667 -4.507 709 HG13 ILE 97 3HG1 ILE 97 -0.664 1.728 -4.744 710 HG21 ILE 97 HG21 ILE 97 -4.202 1.540 -5.046 711 HG22 ILE 97 HG22 ILE 97 -4.140 1.976 -3.338 712 HG23 ILE 97 HG23 ILE 97 -4.624 3.176 -4.536 713 HD11 ILE 97 HD11 ILE 97 -0.686 2.343 -2.422 714 HD12 ILE 97 HD12 ILE 97 -2.151 1.392 -2.155 715 HD13 ILE 97 HD13 ILE 97 -0.641 0.586 -2.580 716 H GLN 98 H GLN 98 -4.217 3.510 -7.499 717 HA GLN 98 HA GLN 98 -4.625 6.342 -6.830 718 HB2 GLN 98 HB2 GLN 98 -4.891 4.928 -9.480 719 HB3 GLN 98 HB3 GLN 98 -5.553 6.522 -9.172 720 HG2 GLN 98 HG2 GLN 98 -3.282 7.322 -8.630 721 HG3 GLN 98 HG3 GLN 98 -2.656 5.731 -9.054 722 HE21 GLN 98 HE21 GLN 98 -1.381 6.584 -10.688 723 HE22 GLN 98 HE22 GLN 98 -2.054 7.134 -12.190 724 H ASN 99 H ASN 99 -6.841 7.075 -7.200 725 HA ASN 99 HA ASN 99 -8.755 4.994 -6.382 726 HB2 ASN 99 HB2 ASN 99 -8.725 6.618 -4.692 727 HB3 ASN 99 HB3 ASN 99 -8.541 7.945 -5.834 728 HD21 ASN 99 HD21 ASN 99 -10.310 8.872 -6.729 729 HD22 ASN 99 HD22 ASN 99 -11.928 8.486 -6.249 730 H VAL 100 H VAL 100 -10.109 4.336 -7.882 731 HA VAL 100 HA VAL 100 -10.792 6.189 -10.072 732 HB VAL 100 HB VAL 100 -10.846 3.167 -10.141 733 HG11 VAL 100 HG11 VAL 100 -12.490 4.170 -11.625 734 HG12 VAL 100 HG12 VAL 100 -11.243 5.200 -12.334 735 HG13 VAL 100 HG13 VAL 100 -11.172 3.450 -12.552 736 HG21 VAL 100 HG21 VAL 100 -8.895 3.336 -11.599 737 HG22 VAL 100 HG22 VAL 100 -8.873 5.083 -11.373 738 HG23 VAL 100 HG23 VAL 100 -8.564 4.014 -10.007 739 H ASN 101 H ASN 101 -12.623 7.134 -9.269 740 HA ASN 101 HA ASN 101 -14.802 7.388 -8.728 741 HB2 ASN 101 HB2 ASN 101 -15.038 6.044 -10.850 742 HB3 ASN 101 HB3 ASN 101 -15.215 4.609 -9.846 743 HD21 ASN 101 HD21 ASN 101 -17.281 4.186 -10.548 744 HD22 ASN 101 HD22 ASN 101 -18.636 5.167 -10.094 745 H GLY 102 H GLY 102 -12.923 5.993 -6.843 746 HA2 GLY 102 HA3 GLY 102 -13.542 5.802 -4.521 747 HA3 GLY 102 HA2 GLY 102 -15.051 5.070 -5.032 748 H ARG 103 H ARG 103 -12.086 4.028 -6.526 749 HA ARG 103 HA ARG 103 -12.031 1.707 -4.739 750 HB2 ARG 103 HB2 ARG 103 -11.918 0.161 -6.537 751 HB3 ARG 103 HB3 ARG 103 -13.272 1.231 -6.873 752 HG2 ARG 103 HG2 ARG 103 -11.805 2.515 -8.406 753 HG3 ARG 103 HG3 ARG 103 -10.553 1.295 -8.155 754 HD2 ARG 103 HD2 ARG 103 -11.760 0.810 -10.188 755 HD3 ARG 103 HD3 ARG 103 -12.114 -0.429 -8.983 756 HE ARG 103 HE ARG 103 -14.031 1.691 -8.952 757 HH11 ARG 103 HH12 ARG 103 -13.114 -1.251 -10.609 758 HH12 ARG 103 HH11 ARG 103 -14.723 -1.573 -11.194 759 HH21 ARG 103 HH22 ARG 103 -16.137 1.272 -9.696 760 HH22 ARG 103 HH21 ARG 103 -16.446 -0.137 -10.669 761 H LEU 104 H LEU 104 -10.034 0.924 -4.231 762 HA LEU 104 HA LEU 104 -7.757 2.555 -4.975 763 HB2 LEU 104 HB2 LEU 104 -8.035 0.211 -3.077 764 HB3 LEU 104 HB3 LEU 104 -6.526 1.057 -3.370 765 HG LEU 104 HG LEU 104 -9.022 2.185 -2.109 766 HD11 LEU 104 HD11 LEU 104 -6.254 1.667 -1.035 767 HD12 LEU 104 HD12 LEU 104 -7.558 2.472 -0.161 768 HD13 LEU 104 HD13 LEU 104 -7.722 0.779 -0.628 769 HD21 LEU 104 HD21 LEU 104 -7.805 4.263 -1.863 770 HD22 LEU 104 HD22 LEU 104 -6.419 3.579 -2.710 771 HD23 LEU 104 HD23 LEU 104 -7.936 3.838 -3.568 772 H VAL 105 H VAL 105 -6.575 2.136 -6.696 773 HA VAL 105 HA VAL 105 -6.261 -0.666 -7.557 774 HB VAL 105 HB VAL 105 -6.332 1.753 -9.372 775 HG11 VAL 105 HG11 VAL 105 -6.328 0.113 -11.186 776 HG12 VAL 105 HG12 VAL 105 -4.886 -0.036 -10.182 777 HG13 VAL 105 HG13 VAL 105 -6.203 -1.193 -10.005 778 HG21 VAL 105 HG21 VAL 105 -8.462 0.827 -10.202 779 HG22 VAL 105 HG22 VAL 105 -8.406 -0.391 -8.928 780 HG23 VAL 105 HG23 VAL 105 -8.552 1.317 -8.510 781 H PHE 106 H PHE 106 -4.242 -1.339 -7.477 782 HA PHE 106 HA PHE 106 -2.100 0.496 -6.900 783 HB2 PHE 106 HB2 PHE 106 -0.782 -1.432 -6.465 784 HB3 PHE 106 HB3 PHE 106 -2.398 -1.827 -5.889 785 HD1 PHE 106 HD2 PHE 106 -3.928 -3.046 -7.670 786 HD2 PHE 106 HD1 PHE 106 0.328 -2.950 -7.776 787 HE1 PHE 106 HE2 PHE 106 -3.921 -5.053 -9.091 788 HE2 PHE 106 HE1 PHE 106 0.340 -4.954 -9.200 789 HZ PHE 106 HZ PHE 106 -1.784 -6.009 -9.858 790 H GLN 107 H GLN 107 -0.355 0.991 -8.173 791 HA GLN 107 HA GLN 107 0.803 1.480 -10.055 792 HB2 GLN 107 HB2 GLN 107 1.340 -0.932 -9.799 793 HB3 GLN 107 HB3 GLN 107 0.004 -1.319 -10.871 794 HG2 GLN 107 HG2 GLN 107 1.999 -1.440 -12.138 795 HG3 GLN 107 HG3 GLN 107 1.141 0.012 -12.645 796 HE21 GLN 107 HE21 GLN 107 3.959 -0.697 -12.865 797 HE22 GLN 107 HE22 GLN 107 4.832 0.572 -12.080 Start of MODEL 8 1 H MET 1 H MET 1 -2.956 13.937 -9.274 2 HA MET 1 HA MET 1 -1.061 12.470 -9.252 3 HB2 MET 1 HB2 MET 1 -1.129 14.154 -7.543 4 HB3 MET 1 HB3 MET 1 -2.239 13.207 -6.567 5 HG2 MET 1 HG2 MET 1 0.083 13.243 -5.720 6 HG3 MET 1 HG3 MET 1 -0.545 11.624 -6.031 7 HE1 MET 1 HE1 MET 1 1.839 14.489 -7.291 8 HE2 MET 1 HE2 MET 1 2.450 13.806 -8.796 9 HE3 MET 1 HE3 MET 1 0.754 14.269 -8.663 10 H SER 2 H SER 2 -2.678 11.292 -6.351 11 HA SER 2 HA SER 2 -2.772 8.584 -7.439 12 HB2 SER 2 HB2 SER 2 -1.315 9.339 -4.888 13 HB3 SER 2 HB3 SER 2 -1.588 7.694 -5.460 14 HG SER 2 HG SER 2 -0.055 7.915 -6.900 15 H TYR 3 H TYR 3 -3.537 7.174 -5.246 16 HA TYR 3 HA TYR 3 -6.190 8.038 -4.844 17 HB2 TYR 3 HB2 TYR 3 -6.493 6.134 -3.500 18 HB3 TYR 3 HB3 TYR 3 -5.230 5.652 -4.623 19 HD1 TYR 3 HD2 TYR 3 -2.791 5.821 -3.779 20 HD2 TYR 3 HD1 TYR 3 -6.181 5.931 -1.218 21 HE1 TYR 3 HE2 TYR 3 -1.365 5.200 -1.876 22 HE2 TYR 3 HE1 TYR 3 -4.773 5.323 0.696 23 HH TYR 3 HH TYR 3 -2.596 4.153 1.085 24 H ALA 4 H ALA 4 -3.260 8.381 -2.943 25 HA ALA 4 HA ALA 4 -4.271 9.293 -0.534 26 HB1 ALA 4 HB1 ALA 4 -1.713 10.160 -1.866 27 HB2 ALA 4 HB2 ALA 4 -2.089 10.275 -0.146 28 HB3 ALA 4 HB3 ALA 4 -1.927 8.693 -0.911 29 H ASP 5 H ASP 5 -4.017 10.972 -3.570 30 HA ASP 5 HA ASP 5 -4.081 13.624 -2.784 31 HB2 ASP 5 HB2 ASP 5 -3.860 12.904 -5.120 32 HB3 ASP 5 HB3 ASP 5 -5.527 12.344 -5.116 33 H SER 6 H SER 6 -6.632 11.233 -2.710 34 HA SER 6 HA SER 6 -8.360 13.186 -1.358 35 HB2 SER 6 HB2 SER 6 -9.330 11.241 -3.465 36 HB3 SER 6 HB3 SER 6 -10.317 12.402 -2.580 37 HG SER 6 HG SER 6 -8.308 13.730 -3.703 38 H SER 7 H SER 7 -6.677 11.078 -0.277 39 HA SER 7 HA SER 7 -8.760 9.293 0.808 40 HB2 SER 7 HB2 SER 7 -5.850 8.678 0.290 41 HB3 SER 7 HB3 SER 7 -6.956 7.614 1.162 42 HG SER 7 HG SER 7 -7.154 8.471 -1.536 43 H ARG 8 H ARG 8 -8.497 8.575 2.975 44 HA ARG 8 HA ARG 8 -6.604 9.924 4.704 45 HB2 ARG 8 HB2 ARG 8 -8.165 11.072 6.058 46 HB3 ARG 8 HB3 ARG 8 -8.634 11.468 4.411 47 HG2 ARG 8 HG2 ARG 8 -10.112 9.210 4.945 48 HG3 ARG 8 HG3 ARG 8 -10.114 10.071 6.485 49 HD2 ARG 8 HD2 ARG 8 -12.003 10.780 5.166 50 HD3 ARG 8 HD3 ARG 8 -10.848 12.110 5.301 51 HE ARG 8 HE ARG 8 -10.948 10.372 2.922 52 HH11 ARG 8 HH12 ARG 8 -10.912 13.542 4.414 53 HH12 ARG 8 HH11 ARG 8 -10.867 14.399 2.895 54 HH21 ARG 8 HH22 ARG 8 -10.862 11.505 0.917 55 HH22 ARG 8 HH21 ARG 8 -10.855 13.240 0.917 56 H ASN 9 H ASN 9 -7.048 9.164 7.034 57 HA ASN 9 HA ASN 9 -7.029 7.420 8.477 58 HB2 ASN 9 HB2 ASN 9 -9.590 6.884 6.979 59 HB3 ASN 9 HB3 ASN 9 -9.102 5.953 8.394 60 HD21 ASN 9 HD21 ASN 9 -11.434 7.624 8.060 61 HD22 ASN 9 HD22 ASN 9 -11.327 8.852 9.288 62 H ALA 10 H ALA 10 -5.511 7.086 6.088 63 HA ALA 10 HA ALA 10 -5.825 4.396 5.148 64 HB1 ALA 10 HB1 ALA 10 -3.897 4.797 3.828 65 HB2 ALA 10 HB2 ALA 10 -4.822 6.295 3.834 66 HB3 ALA 10 HB3 ALA 10 -3.389 6.140 4.852 67 H VAL 11 H VAL 11 -5.379 2.693 6.315 68 HA VAL 11 HA VAL 11 -2.971 2.623 7.994 69 HB VAL 11 HB VAL 11 -5.648 1.594 8.975 70 HG11 VAL 11 HG11 VAL 11 -4.522 1.372 11.129 71 HG12 VAL 11 HG12 VAL 11 -3.710 0.426 9.882 72 HG13 VAL 11 HG13 VAL 11 -3.022 1.961 10.410 73 HG21 VAL 11 HG21 VAL 11 -5.665 3.463 10.564 74 HG22 VAL 11 HG22 VAL 11 -4.234 4.133 9.781 75 HG23 VAL 11 HG23 VAL 11 -5.754 4.020 8.892 76 H LEU 12 H LEU 12 -2.281 0.401 8.446 77 HA LEU 12 HA LEU 12 -3.062 -1.414 6.295 78 HB2 LEU 12 HB2 LEU 12 -0.605 -0.810 7.564 79 HB3 LEU 12 HB3 LEU 12 -0.987 -2.471 7.959 80 HG LEU 12 HG LEU 12 -1.070 -3.093 5.650 81 HD11 LEU 12 HD11 LEU 12 -0.697 -1.473 3.850 82 HD12 LEU 12 HD12 LEU 12 -2.163 -1.109 4.759 83 HD13 LEU 12 HD13 LEU 12 -0.699 -0.163 5.031 84 HD21 LEU 12 HD21 LEU 12 1.291 -1.299 6.190 85 HD22 LEU 12 HD22 LEU 12 1.142 -2.996 6.638 86 HD23 LEU 12 HD23 LEU 12 1.213 -2.536 4.936 87 H THR 13 H THR 13 -4.067 -3.282 6.632 88 HA THR 13 HA THR 13 -4.784 -4.001 9.388 89 HB THR 13 HB THR 13 -6.464 -4.524 6.929 90 HG1 THR 13 HG1 THR 13 -7.477 -2.556 8.457 91 HG21 THR 13 HG21 THR 13 -6.958 -5.870 8.938 92 HG22 THR 13 HG22 THR 13 -8.280 -4.767 8.549 93 HG23 THR 13 HG23 THR 13 -7.173 -4.386 9.869 94 H ASN 14 H ASN 14 -5.300 -6.300 9.659 95 HA ASN 14 HA ASN 14 -4.958 -8.530 9.442 96 HB2 ASN 14 HB2 ASN 14 -5.401 -7.704 6.858 97 HB3 ASN 14 HB3 ASN 14 -3.843 -8.519 6.733 98 HD21 ASN 14 HD21 ASN 14 -4.944 -10.108 5.428 99 HD22 ASN 14 HD22 ASN 14 -5.868 -11.361 6.195 100 H GLY 15 H GLY 15 -2.722 -6.329 9.691 101 HA2 GLY 15 HA3 GLY 15 -0.608 -6.665 10.680 102 HA3 GLY 15 HA2 GLY 15 -0.591 -8.298 10.031 103 H GLY 16 H GLY 16 -1.447 -5.616 8.025 104 HA2 GLY 16 HA3 GLY 16 -0.060 -4.370 6.568 105 HA3 GLY 16 HA2 GLY 16 1.255 -5.484 6.906 106 H ARG 17 H ARG 17 -1.866 -6.740 6.219 107 HA ARG 17 HA ARG 17 -0.860 -7.709 3.639 108 HB2 ARG 17 HB2 ARG 17 -3.231 -8.862 5.078 109 HB3 ARG 17 HB3 ARG 17 -2.195 -9.625 3.884 110 HG2 ARG 17 HG2 ARG 17 -0.348 -9.470 5.645 111 HG3 ARG 17 HG3 ARG 17 -1.640 -9.103 6.780 112 HD2 ARG 17 HD2 ARG 17 -1.123 -11.484 6.808 113 HD3 ARG 17 HD3 ARG 17 -2.758 -11.197 6.212 114 HE ARG 17 HE ARG 17 -0.623 -11.510 4.235 115 HH11 ARG 17 HH12 ARG 17 -3.332 -12.952 5.931 116 HH12 ARG 17 HH11 ARG 17 -3.623 -14.148 4.707 117 HH21 ARG 17 HH22 ARG 17 -0.984 -13.108 2.653 118 HH22 ARG 17 HH21 ARG 17 -2.275 -14.251 2.848 119 H THR 18 H THR 18 -3.166 -5.683 5.118 120 HA THR 18 HA THR 18 -4.519 -5.357 2.533 121 HB THR 18 HB THR 18 -5.909 -5.289 5.216 122 HG1 THR 18 HG1 THR 18 -6.119 -7.265 3.150 123 HG21 THR 18 HG21 THR 18 -7.961 -5.192 3.894 124 HG22 THR 18 HG22 THR 18 -7.016 -5.194 2.405 125 HG23 THR 18 HG23 THR 18 -6.912 -3.824 3.515 126 H LEU 19 H LEU 19 -4.516 -3.358 1.846 127 HA LEU 19 HA LEU 19 -3.757 -1.185 3.630 128 HB2 LEU 19 HB2 LEU 19 -2.509 -1.386 1.578 129 HB3 LEU 19 HB3 LEU 19 -3.982 -1.427 0.633 130 HG LEU 19 HG LEU 19 -4.427 0.915 1.236 131 HD11 LEU 19 HD11 LEU 19 -3.308 0.990 3.388 132 HD12 LEU 19 HD12 LEU 19 -1.745 0.760 2.600 133 HD13 LEU 19 HD13 LEU 19 -2.670 2.235 2.313 134 HD21 LEU 19 HD21 LEU 19 -2.614 1.877 -0.110 135 HD22 LEU 19 HD22 LEU 19 -1.715 0.366 0.050 136 HD23 LEU 19 HD23 LEU 19 -3.254 0.389 -0.811 137 H ARG 20 H ARG 20 -5.479 -0.387 4.688 138 HA ARG 20 HA ARG 20 -8.011 -0.048 3.239 139 HB2 ARG 20 HB2 ARG 20 -7.775 -1.260 5.522 140 HB3 ARG 20 HB3 ARG 20 -7.581 0.348 6.196 141 HG2 ARG 20 HG2 ARG 20 -9.980 -0.580 4.635 142 HG3 ARG 20 HG3 ARG 20 -9.867 -0.560 6.390 143 HD2 ARG 20 HD2 ARG 20 -9.811 1.801 4.522 144 HD3 ARG 20 HD3 ARG 20 -11.072 1.382 5.678 145 HE ARG 20 HE ARG 20 -8.465 2.558 6.274 146 HH11 ARG 20 HH12 ARG 20 -11.517 1.311 7.457 147 HH12 ARG 20 HH11 ARG 20 -11.380 2.090 9.006 148 HH21 ARG 20 HH22 ARG 20 -8.295 3.606 8.280 149 HH22 ARG 20 HH21 ARG 20 -9.546 3.406 9.475 150 H ALA 21 H ALA 21 -8.560 1.921 2.542 151 HA ALA 21 HA ALA 21 -7.710 4.285 4.024 152 HB1 ALA 21 HB1 ALA 21 -6.842 5.397 2.035 153 HB2 ALA 21 HB2 ALA 21 -5.929 3.926 2.374 154 HB3 ALA 21 HB3 ALA 21 -7.130 3.941 1.082 155 H GLU 22 H GLU 22 -9.106 6.040 3.758 156 HA GLU 22 HA GLU 22 -11.601 5.367 2.365 157 HB2 GLU 22 HB2 GLU 22 -11.224 7.700 4.231 158 HB3 GLU 22 HB3 GLU 22 -12.718 6.884 3.786 159 HG2 GLU 22 HG2 GLU 22 -11.544 4.826 4.922 160 HG3 GLU 22 HG3 GLU 22 -10.629 6.093 5.741 161 H CYS 23 H CYS 23 -11.649 6.054 0.362 162 HA CYS 23 HA CYS 23 -10.440 8.663 -0.279 163 HB2 CYS 23 HB2 CYS 23 -10.258 7.673 -2.614 164 HB3 CYS 23 HB3 CYS 23 -9.195 6.980 -1.391 165 HG CYS 23 HG CYS 23 -11.197 5.423 -3.373 166 H ARG 24 H ARG 24 -11.597 10.116 -1.433 167 HA ARG 24 HA ARG 24 -14.435 9.740 -1.535 168 HB2 ARG 24 HB2 ARG 24 -14.330 11.951 -1.240 169 HB3 ARG 24 HB3 ARG 24 -12.605 11.960 -1.576 170 HG2 ARG 24 HG2 ARG 24 -14.592 11.913 -3.807 171 HG3 ARG 24 HG3 ARG 24 -14.183 13.424 -2.994 172 HD2 ARG 24 HD2 ARG 24 -12.040 13.438 -3.808 173 HD3 ARG 24 HD3 ARG 24 -11.961 11.680 -3.926 174 HE ARG 24 HE ARG 24 -13.758 12.210 -5.799 175 HH11 ARG 24 HH12 ARG 24 -10.660 13.716 -5.120 176 HH12 ARG 24 HH11 ARG 24 -10.388 14.207 -6.768 177 HH21 ARG 24 HH22 ARG 24 -13.381 12.831 -7.972 178 HH22 ARG 24 HH21 ARG 24 -11.935 13.693 -8.393 179 H ASN 25 H ASN 25 -15.720 9.565 -3.353 180 HA ASN 25 HA ASN 25 -14.394 8.371 -5.643 181 HB2 ASN 25 HB2 ASN 25 -16.520 7.542 -6.281 182 HB3 ASN 25 HB3 ASN 25 -16.442 7.406 -4.533 183 HD21 ASN 25 HD21 ASN 25 -18.754 7.478 -6.269 184 HD22 ASN 25 HD22 ASN 25 -19.709 8.824 -5.744 185 H ALA 26 H ALA 26 -15.826 8.898 -7.801 186 HA ALA 26 HA ALA 26 -14.943 11.407 -8.658 187 HB1 ALA 26 HB1 ALA 26 -16.280 11.025 -10.653 188 HB2 ALA 26 HB2 ALA 26 -15.445 9.549 -10.166 189 HB3 ALA 26 HB3 ALA 26 -17.166 9.741 -9.828 190 H ASP 27 H ASP 27 -17.938 10.462 -7.150 191 HA ASP 27 HA ASP 27 -19.408 12.832 -7.767 192 HB2 ASP 27 HB2 ASP 27 -20.508 10.708 -7.215 193 HB3 ASP 27 HB3 ASP 27 -19.827 10.767 -5.598 194 H GLY 28 H GLY 28 -17.106 11.966 -5.339 195 HA2 GLY 28 HA3 GLY 28 -15.980 13.695 -4.101 196 HA3 GLY 28 HA2 GLY 28 -17.482 14.611 -4.096 197 H ASN 29 H ASN 29 -18.175 11.422 -3.568 198 HA ASN 29 HA ASN 29 -18.651 11.902 -0.733 199 HB2 ASN 29 HB2 ASN 29 -20.276 10.776 -2.448 200 HB3 ASN 29 HB3 ASN 29 -19.277 9.354 -2.178 201 HD21 ASN 29 HD21 ASN 29 -21.559 11.548 -0.781 202 HD22 ASN 29 HD22 ASN 29 -21.907 10.601 0.633 203 H TRP 30 H TRP 30 -17.761 10.655 0.900 204 HA TRP 30 HA TRP 30 -15.155 9.579 0.363 205 HB2 TRP 30 HB2 TRP 30 -16.752 9.875 2.907 206 HB3 TRP 30 HB3 TRP 30 -15.155 9.135 2.861 207 HD1 TRP 30 HD1 TRP 30 -14.472 11.530 0.467 208 HE1 TRP 30 HE1 TRP 30 -13.621 13.766 1.412 209 HE3 TRP 30 HE3 TRP 30 -16.039 10.997 5.301 210 HZ2 TRP 30 HZ2 TRP 30 -13.618 15.119 3.890 211 HZ3 TRP 30 HZ3 TRP 30 -15.576 12.813 6.897 212 HH2 TRP 30 HH2 TRP 30 -14.391 14.832 6.205 213 H VAL 31 H VAL 31 -14.715 7.576 -0.156 214 HA VAL 31 HA VAL 31 -16.623 5.445 0.556 215 HB VAL 31 HB VAL 31 -14.731 5.330 -1.782 216 HG11 VAL 31 HG11 VAL 31 -16.345 3.672 -2.615 217 HG12 VAL 31 HG12 VAL 31 -15.642 3.216 -1.062 218 HG13 VAL 31 HG13 VAL 31 -17.281 3.863 -1.131 219 HG21 VAL 31 HG21 VAL 31 -17.555 6.383 -1.813 220 HG22 VAL 31 HG22 VAL 31 -16.082 7.302 -2.134 221 HG23 VAL 31 HG23 VAL 31 -16.581 6.020 -3.238 222 H THR 32 H THR 32 -15.813 3.923 1.872 223 HA THR 32 HA THR 32 -13.008 3.889 2.516 224 HB THR 32 HB THR 32 -15.131 1.928 3.408 225 HG1 THR 32 HG1 THR 32 -14.356 4.156 4.962 226 HG21 THR 32 HG21 THR 32 -12.816 1.272 3.869 227 HG22 THR 32 HG22 THR 32 -13.676 1.659 5.360 228 HG23 THR 32 HG23 THR 32 -12.535 2.815 4.672 229 H SER 33 H SER 33 -11.620 2.938 1.118 230 HA SER 33 HA SER 33 -12.513 0.482 -0.238 231 HB2 SER 33 HB2 SER 33 -11.884 2.498 -1.667 232 HB3 SER 33 HB3 SER 33 -10.229 2.240 -1.120 233 HG SER 33 HG SER 33 -11.866 0.560 -2.703 234 H GLU 34 H GLU 34 -11.089 -1.252 -0.384 235 HA GLU 34 HA GLU 34 -8.720 -1.172 1.345 236 HB2 GLU 34 HB2 GLU 34 -10.569 -3.548 1.309 237 HB3 GLU 34 HB3 GLU 34 -9.302 -3.164 2.466 238 HG2 GLU 34 HG2 GLU 34 -10.698 -1.174 3.131 239 HG3 GLU 34 HG3 GLU 34 -11.988 -1.876 2.168 240 H LEU 35 H LEU 35 -6.977 -2.100 0.445 241 HA LEU 35 HA LEU 35 -7.410 -3.977 -1.787 242 HB2 LEU 35 HB2 LEU 35 -6.563 -1.505 -2.306 243 HB3 LEU 35 HB3 LEU 35 -5.025 -2.181 -1.813 244 HG LEU 35 HG LEU 35 -6.733 -2.990 -4.163 245 HD11 LEU 35 HD11 LEU 35 -5.279 -1.068 -4.480 246 HD12 LEU 35 HD12 LEU 35 -3.892 -2.019 -3.948 247 HD13 LEU 35 HD13 LEU 35 -4.736 -2.445 -5.438 248 HD21 LEU 35 HD21 LEU 35 -5.917 -5.045 -3.122 249 HD22 LEU 35 HD22 LEU 35 -5.100 -4.741 -4.653 250 HD23 LEU 35 HD23 LEU 35 -4.272 -4.408 -3.133 251 H ASP 36 H ASP 36 -6.647 -5.852 -1.237 252 HA ASP 36 HA ASP 36 -4.919 -6.258 0.957 253 HB2 ASP 36 HB2 ASP 36 -5.912 -8.034 -1.259 254 HB3 ASP 36 HB3 ASP 36 -4.813 -8.608 -0.022 255 H LEU 37 H LEU 37 -2.914 -5.589 0.919 256 HA LEU 37 HA LEU 37 -1.308 -5.131 -1.326 257 HB2 LEU 37 HB2 LEU 37 -0.475 -5.815 1.491 258 HB3 LEU 37 HB3 LEU 37 0.531 -5.041 0.272 259 HG LEU 37 HG LEU 37 -2.009 -3.854 1.289 260 HD11 LEU 37 HD11 LEU 37 0.794 -3.331 2.191 261 HD12 LEU 37 HD12 LEU 37 -0.673 -2.554 2.791 262 HD13 LEU 37 HD13 LEU 37 -0.405 -4.275 3.076 263 HD21 LEU 37 HD21 LEU 37 -1.124 -1.803 0.355 264 HD22 LEU 37 HD22 LEU 37 0.338 -2.649 -0.154 265 HD23 LEU 37 HD23 LEU 37 -1.214 -3.054 -0.889 266 H ASP 38 H ASP 38 -1.618 -7.829 0.891 267 HA ASP 38 HA ASP 38 0.464 -9.408 -0.163 268 HB2 ASP 38 HB2 ASP 38 -0.344 -11.185 1.136 269 HB3 ASP 38 HB3 ASP 38 -0.760 -9.743 2.058 270 H THR 39 H THR 39 -2.337 -8.427 -1.656 271 HA THR 39 HA THR 39 -2.465 -10.910 -3.233 272 HB THR 39 HB THR 39 -4.570 -9.682 -2.109 273 HG1 THR 39 HG1 THR 39 -5.800 -10.831 -3.785 274 HG21 THR 39 HG21 THR 39 -5.856 -8.489 -3.803 275 HG22 THR 39 HG22 THR 39 -4.516 -8.637 -4.942 276 HG23 THR 39 HG23 THR 39 -4.333 -7.653 -3.491 277 H ILE 40 H ILE 40 -1.200 -7.803 -3.357 278 HA ILE 40 HA ILE 40 -0.769 -8.084 -6.244 279 HB ILE 40 HB ILE 40 -1.162 -5.608 -6.539 280 HG12 ILE 40 HG13 ILE 40 -3.037 -4.890 -4.771 281 HG13 ILE 40 3HG1 ILE 40 -2.090 -5.948 -3.736 282 HG21 ILE 40 HG21 ILE 40 -2.725 -7.251 -7.395 283 HG22 ILE 40 HG22 ILE 40 -3.537 -7.323 -5.831 284 HG23 ILE 40 HG23 ILE 40 -3.589 -5.841 -6.784 285 HD11 ILE 40 HD11 ILE 40 -1.065 -3.544 -5.216 286 HD12 ILE 40 HD12 ILE 40 -1.410 -3.646 -3.489 287 HD13 ILE 40 HD13 ILE 40 -0.106 -4.607 -4.185 288 H ILE 41 H ILE 41 0.656 -7.976 -3.449 289 HA ILE 41 HA ILE 41 2.944 -6.382 -4.410 290 HB ILE 41 HB ILE 41 1.908 -6.595 -1.584 291 HG12 ILE 41 HG13 ILE 41 1.868 -4.491 -3.686 292 HG13 ILE 41 3HG1 ILE 41 0.662 -4.895 -2.473 293 HG21 ILE 41 HG21 ILE 41 4.334 -6.702 -1.557 294 HG22 ILE 41 HG22 ILE 41 4.419 -5.244 -2.547 295 HG23 ILE 41 HG23 ILE 41 3.755 -5.161 -0.913 296 HD11 ILE 41 HD11 ILE 41 3.231 -3.423 -1.969 297 HD12 ILE 41 HD12 ILE 41 1.626 -2.699 -2.080 298 HD13 ILE 41 HD13 ILE 41 2.004 -3.809 -0.761 299 H GLY 42 H GLY 42 4.839 -7.449 -4.423 300 HA2 GLY 42 HA3 GLY 42 4.943 -10.032 -2.987 301 HA3 GLY 42 HA2 GLY 42 5.515 -9.871 -4.642 302 H ASN 43 H ASN 43 7.089 -10.798 -2.499 303 HA ASN 43 HA ASN 43 8.986 -8.575 -2.165 304 HB2 ASN 43 HB2 ASN 43 8.340 -9.299 -0.006 305 HB3 ASN 43 HB3 ASN 43 8.429 -10.992 -0.455 306 HD21 ASN 43 HD21 ASN 43 9.746 -11.408 1.307 307 HD22 ASN 43 HD22 ASN 43 11.430 -10.978 1.310 308 H ASN 44 H ASN 44 10.555 -8.657 -3.580 309 HA ASN 44 HA ASN 44 11.440 -11.247 -4.623 310 HB2 ASN 44 HB2 ASN 44 10.782 -9.366 -6.198 311 HB3 ASN 44 HB3 ASN 44 12.216 -8.506 -5.642 312 HD21 ASN 44 HD21 ASN 44 14.266 -9.320 -6.178 313 HD22 ASN 44 HD22 ASN 44 14.485 -10.480 -7.446 314 H ASP 45 H ASP 45 12.498 -11.684 -2.579 315 HA ASP 45 HA ASP 45 14.295 -11.855 -1.192 316 HB2 ASP 45 HB2 ASP 45 15.824 -10.935 -3.635 317 HB3 ASP 45 HB3 ASP 45 16.489 -11.798 -2.254 318 H GLY 46 H GLY 46 13.102 -9.677 -0.412 319 HA2 GLY 46 HA3 GLY 46 13.662 -7.850 0.915 320 HA3 GLY 46 HA2 GLY 46 15.306 -7.948 0.313 321 H HIS 47 H HIS 47 12.486 -7.785 -1.759 322 HA HIS 47 HA HIS 47 12.871 -4.935 -2.257 323 HB2 HIS 47 HB2 HIS 47 13.327 -7.064 -4.356 324 HB3 HIS 47 HB3 HIS 47 12.965 -5.394 -4.765 325 HD1 HIS 47 HD1 HIS 47 14.856 -3.710 -4.607 326 HD2 HIS 47 HD2 HIS 47 15.902 -7.491 -3.228 327 HE1 HIS 47 HE1 HIS 47 17.349 -3.645 -4.272 328 HE2 HIS 47 HE2 HIS 47 17.979 -6.006 -3.639 329 H PHE 48 H PHE 48 10.879 -4.055 -2.366 330 HA PHE 48 HA PHE 48 8.541 -5.645 -2.554 331 HB2 PHE 48 HB2 PHE 48 9.009 -2.680 -2.696 332 HB3 PHE 48 HB3 PHE 48 7.408 -3.367 -2.955 333 HD1 PHE 48 HD2 PHE 48 6.615 -5.033 -1.080 334 HD2 PHE 48 HD1 PHE 48 9.622 -2.066 -0.579 335 HE1 PHE 48 HE2 PHE 48 6.248 -5.078 1.353 336 HE2 PHE 48 HE1 PHE 48 9.265 -2.112 1.855 337 HZ PHE 48 HZ PHE 48 7.572 -3.615 2.823 338 H GLN 49 H GLN 49 7.264 -6.182 -4.221 339 HA GLN 49 HA GLN 49 7.943 -5.108 -6.866 340 HB2 GLN 49 HB2 GLN 49 8.888 -7.231 -7.009 341 HB3 GLN 49 HB3 GLN 49 7.658 -7.961 -5.989 342 HG2 GLN 49 HG2 GLN 49 6.062 -7.927 -7.741 343 HG3 GLN 49 HG3 GLN 49 7.095 -6.925 -8.754 344 HE21 GLN 49 HE21 GLN 49 6.516 -10.105 -7.503 345 HE22 GLN 49 HE22 GLN 49 7.583 -10.946 -8.569 346 H TRP 50 H TRP 50 6.272 -4.070 -7.638 347 HA TRP 50 HA TRP 50 3.634 -4.420 -6.616 348 HB2 TRP 50 HB2 TRP 50 4.767 -2.856 -8.933 349 HB3 TRP 50 HB3 TRP 50 3.035 -2.929 -8.629 350 HD1 TRP 50 HD1 TRP 50 6.022 -0.949 -7.730 351 HE1 TRP 50 HE1 TRP 50 5.487 0.653 -5.775 352 HE3 TRP 50 HE3 TRP 50 1.564 -2.952 -6.234 353 HZ2 TRP 50 HZ2 TRP 50 3.455 1.002 -3.862 354 HZ3 TRP 50 HZ3 TRP 50 0.392 -1.930 -4.331 355 HH2 TRP 50 HH2 TRP 50 1.316 0.008 -3.170 356 H GLY 51 H GLY 51 2.389 -6.074 -7.048 357 HA2 GLY 51 HA3 GLY 51 1.010 -7.296 -8.558 358 HA3 GLY 51 HA2 GLY 51 2.214 -7.051 -9.817 359 H GLY 52 H GLY 52 2.963 -8.122 -6.551 360 HA2 GLY 52 HA3 GLY 52 3.963 -10.626 -7.725 361 HA3 GLY 52 HA2 GLY 52 4.533 -9.908 -6.227 362 H GLN 53 H GLN 53 2.312 -9.493 -4.783 363 HA GLN 53 HA GLN 53 0.758 -10.425 -3.435 364 HB2 GLN 53 HB2 GLN 53 -0.600 -10.992 -5.274 365 HB3 GLN 53 HB3 GLN 53 0.477 -12.282 -5.784 366 HG2 GLN 53 HG2 GLN 53 -0.169 -13.564 -3.779 367 HG3 GLN 53 HG3 GLN 53 -1.284 -12.269 -3.343 368 HE21 GLN 53 HE21 GLN 53 -3.169 -11.985 -4.554 369 HE22 GLN 53 HE22 GLN 53 -3.756 -13.197 -5.639 370 H ASN 54 H ASN 54 0.732 -11.814 -1.712 371 HA ASN 54 HA ASN 54 1.401 -13.428 -0.248 372 HB2 ASN 54 HB2 ASN 54 2.779 -14.544 -2.683 373 HB3 ASN 54 HB3 ASN 54 3.022 -15.249 -1.089 374 HD21 ASN 54 HD21 ASN 54 1.424 -16.443 -0.167 375 HD22 ASN 54 HD22 ASN 54 -0.026 -16.900 -1.001 376 H PHE 55 H PHE 55 2.724 -10.896 -0.631 377 HA PHE 55 HA PHE 55 5.541 -11.379 -0.236 378 HB2 PHE 55 HB2 PHE 55 5.855 -9.096 -0.418 379 HB3 PHE 55 HB3 PHE 55 4.354 -9.270 -1.313 380 HD1 PHE 55 HD1 PHE 55 2.180 -8.753 -0.119 381 HD2 PHE 55 HD2 PHE 55 5.997 -7.690 1.435 382 HE1 PHE 55 HE1 PHE 55 1.120 -7.064 1.319 383 HE2 PHE 55 HE2 PHE 55 4.941 -6.001 2.879 384 HZ PHE 55 HZ PHE 55 2.503 -5.685 2.821 385 H THR 56 H THR 56 2.717 -10.858 1.727 386 HA THR 56 HA THR 56 4.003 -10.130 4.117 387 HB THR 56 HB THR 56 1.851 -10.979 5.179 388 HG1 THR 56 HG1 THR 56 1.262 -12.487 3.549 389 HG21 THR 56 HG21 THR 56 0.508 -9.144 4.129 390 HG22 THR 56 HG22 THR 56 1.801 -8.951 2.947 391 HG23 THR 56 HG23 THR 56 2.116 -8.652 4.658 392 H GLU 57 H GLU 57 3.818 -13.141 2.496 393 HA GLU 57 HA GLU 57 4.140 -14.738 4.865 394 HB2 GLU 57 HB2 GLU 57 4.185 -16.607 3.442 395 HB3 GLU 57 HB3 GLU 57 3.070 -15.484 2.677 396 HG2 GLU 57 HG2 GLU 57 4.855 -14.793 1.148 397 HG3 GLU 57 HG3 GLU 57 5.914 -15.993 1.888 398 H THR 58 H THR 58 6.128 -12.843 2.909 399 HA THR 58 HA THR 58 8.526 -14.104 4.054 400 HB THR 58 HB THR 58 9.770 -13.377 2.045 401 HG1 THR 58 HG1 THR 58 7.567 -13.015 0.461 402 HG21 THR 58 HG21 THR 58 8.831 -15.022 0.475 403 HG22 THR 58 HG22 THR 58 7.358 -15.091 1.443 404 HG23 THR 58 HG23 THR 58 8.886 -15.652 2.123 405 H ALA 59 H ALA 59 6.613 -11.757 4.632 406 HA ALA 59 HA ALA 59 8.712 -9.756 5.074 407 HB1 ALA 59 HB1 ALA 59 5.829 -9.192 4.376 408 HB2 ALA 59 HB2 ALA 59 7.064 -7.987 4.740 409 HB3 ALA 59 HB3 ALA 59 7.210 -8.990 3.297 410 H GLU 60 H GLU 60 8.550 -8.557 6.956 411 HA GLU 60 HA GLU 60 6.553 -9.340 8.941 412 HB2 GLU 60 HB2 GLU 60 8.855 -9.124 10.445 413 HB3 GLU 60 HB3 GLU 60 8.048 -10.622 10.017 414 HG2 GLU 60 HG2 GLU 60 9.516 -11.029 8.241 415 HG3 GLU 60 HG3 GLU 60 10.120 -9.377 8.239 416 H ASP 61 H ASP 61 6.911 -7.905 10.959 417 HA ASP 61 HA ASP 61 6.612 -5.761 11.751 418 HB2 ASP 61 HB2 ASP 61 9.259 -6.300 11.393 419 HB3 ASP 61 HB3 ASP 61 9.086 -4.837 10.440 420 H ILE 62 H ILE 62 4.961 -5.786 9.758 421 HA ILE 62 HA ILE 62 5.666 -3.842 7.731 422 HB ILE 62 HB ILE 62 2.952 -5.098 8.033 423 HG12 ILE 62 HG13 ILE 62 5.511 -6.318 6.987 424 HG13 ILE 62 3HG1 ILE 62 4.398 -6.983 8.168 425 HG21 ILE 62 HG21 ILE 62 2.953 -4.871 5.589 426 HG22 ILE 62 HG22 ILE 62 3.209 -3.321 6.390 427 HG23 ILE 62 HG23 ILE 62 4.570 -4.170 5.659 428 HD11 ILE 62 HD11 ILE 62 4.266 -8.146 6.035 429 HD12 ILE 62 HD12 ILE 62 2.741 -7.353 6.442 430 HD13 ILE 62 HD13 ILE 62 3.817 -6.636 5.243 431 H ARG 63 H ARG 63 5.542 -1.776 8.194 432 HA ARG 63 HA ARG 63 3.184 -0.793 9.659 433 HB2 ARG 63 HB2 ARG 63 4.892 1.154 10.250 434 HB3 ARG 63 HB3 ARG 63 4.757 -0.290 11.244 435 HG2 ARG 63 HG2 ARG 63 6.659 -0.729 9.143 436 HG3 ARG 63 HG3 ARG 63 7.053 0.748 10.027 437 HD2 ARG 63 HD2 ARG 63 8.068 -1.369 10.933 438 HD3 ARG 63 HD3 ARG 63 7.152 -0.407 12.095 439 HE ARG 63 HE ARG 63 5.960 -2.736 10.740 440 HH11 ARG 63 HH12 ARG 63 6.830 -1.015 13.653 441 HH12 ARG 63 HH11 ARG 63 5.936 -2.073 14.707 442 HH21 ARG 63 HH22 ARG 63 4.807 -4.166 12.119 443 HH22 ARG 63 HH21 ARG 63 4.817 -3.887 13.837 444 H PHE 64 H PHE 64 1.983 0.548 8.535 445 HA PHE 64 HA PHE 64 2.979 1.568 5.996 446 HB2 PHE 64 HB2 PHE 64 0.878 0.413 5.882 447 HB3 PHE 64 HB3 PHE 64 0.213 1.395 7.182 448 HD1 PHE 64 HD2 PHE 64 2.127 2.410 4.150 449 HD2 PHE 64 HD1 PHE 64 -1.555 2.541 6.276 450 HE1 PHE 64 HE2 PHE 64 1.241 4.024 2.516 451 HE2 PHE 64 HE1 PHE 64 -2.434 4.148 4.647 452 HZ PHE 64 HZ PHE 64 -1.047 4.883 2.757 453 H HIS 65 H HIS 65 3.337 3.620 5.525 454 HA HIS 65 HA HIS 65 2.474 5.664 7.465 455 HB2 HIS 65 HB2 HIS 65 5.012 5.083 7.442 456 HB3 HIS 65 HB3 HIS 65 5.037 5.947 5.908 457 HD1 HIS 65 HD1 HIS 65 6.596 7.759 7.054 458 HD2 HIS 65 HD2 HIS 65 2.771 7.433 8.662 459 HE1 HIS 65 HE1 HIS 65 6.279 9.804 8.479 460 HE2 HIS 65 HE2 HIS 65 3.898 9.671 9.308 461 HA PRO 66 HA PRO 66 0.464 6.567 3.437 462 HB2 PRO 66 HB2 PRO 66 -1.421 8.167 4.626 463 HB3 PRO 66 HB3 PRO 66 -1.570 6.428 4.423 464 HG2 PRO 66 HG2 PRO 66 -0.715 7.974 6.820 465 HG3 PRO 66 HG3 PRO 66 -1.786 6.566 6.719 466 HD2 PRO 66 HD2 PRO 66 0.768 6.330 7.502 467 HD3 PRO 66 HD3 PRO 66 -0.004 5.073 6.508 468 H LYS 67 H LYS 67 1.206 8.785 5.970 469 HA LYS 67 HA LYS 67 1.773 10.834 3.946 470 HB2 LYS 67 HB2 LYS 67 0.703 11.235 6.750 471 HB3 LYS 67 HB3 LYS 67 1.224 12.540 5.692 472 HG2 LYS 67 HG2 LYS 67 -0.942 12.613 5.117 473 HG3 LYS 67 HG3 LYS 67 -0.508 11.257 4.076 474 HD2 LYS 67 HD2 LYS 67 -1.239 9.686 5.775 475 HD3 LYS 67 HD3 LYS 67 -1.632 11.022 6.861 476 HE2 LYS 67 HE2 LYS 67 -2.895 10.577 4.154 477 HE3 LYS 67 HE3 LYS 67 -3.611 10.084 5.688 478 HZ1 LYS 67 HZ1 LYS 67 -4.512 12.198 4.953 479 HZ2 LYS 67 HZ2 LYS 67 -2.959 12.876 4.897 480 HZ3 LYS 67 HZ3 LYS 67 -3.623 12.403 6.382 481 H GLU 68 H GLU 68 3.913 10.102 3.811 482 HA GLU 68 HA GLU 68 5.663 10.042 6.043 483 HB2 GLU 68 HB2 GLU 68 6.350 8.751 4.215 484 HB3 GLU 68 HB3 GLU 68 6.083 10.060 3.074 485 HG2 GLU 68 HG2 GLU 68 8.040 11.157 3.668 486 HG3 GLU 68 HG3 GLU 68 8.177 10.281 5.198 487 H GLY 69 H GLY 69 6.343 11.697 7.182 488 HA2 GLY 69 HA3 GLY 69 7.022 13.788 7.804 489 HA3 GLY 69 HA2 GLY 69 7.779 13.860 6.225 490 H ALA 70 H ALA 70 7.392 16.010 5.920 491 HA ALA 70 HA ALA 70 4.692 17.050 6.072 492 HB1 ALA 70 HB1 ALA 70 6.600 18.448 6.745 493 HB2 ALA 70 HB2 ALA 70 7.223 18.375 5.097 494 HB3 ALA 70 HB3 ALA 70 5.685 19.176 5.424 495 H ALA 71 H ALA 71 6.528 15.338 3.903 496 HA ALA 71 HA ALA 71 5.594 16.475 1.447 497 HB1 ALA 71 HB1 ALA 71 7.680 15.230 1.507 498 HB2 ALA 71 HB2 ALA 71 6.830 13.781 2.054 499 HB3 ALA 71 HB3 ALA 71 6.531 14.423 0.437 500 H GLU 72 H GLU 72 4.514 14.158 3.753 501 HA GLU 72 HA GLU 72 2.684 12.839 3.958 502 HB2 GLU 72 HB2 GLU 72 1.482 14.874 2.071 503 HB3 GLU 72 HB3 GLU 72 0.575 13.731 3.052 504 HG2 GLU 72 HG2 GLU 72 1.478 14.780 5.078 505 HG3 GLU 72 HG3 GLU 72 2.334 15.950 4.072 506 H GLN 73 H GLN 73 4.445 11.725 2.363 507 HA GLN 73 HA GLN 73 3.008 10.838 -0.031 508 HB2 GLN 73 HB2 GLN 73 5.309 11.716 -0.340 509 HB3 GLN 73 HB3 GLN 73 5.910 10.434 0.704 510 HG2 GLN 73 HG2 GLN 73 5.183 8.757 -0.857 511 HG3 GLN 73 HG3 GLN 73 4.445 9.985 -1.883 512 HE21 GLN 73 HE21 GLN 73 6.645 11.859 -1.445 513 HE22 GLN 73 HE22 GLN 73 7.966 11.277 -2.400 514 HA PRO 74 HA PRO 74 2.128 7.116 2.225 515 HB2 PRO 74 HB2 PRO 74 0.912 5.794 0.195 516 HB3 PRO 74 HB3 PRO 74 0.122 7.078 1.117 517 HG2 PRO 74 HG2 PRO 74 1.437 7.207 -1.566 518 HG3 PRO 74 HG3 PRO 74 -0.076 7.956 -1.023 519 HD2 PRO 74 HD2 PRO 74 2.261 9.328 -1.201 520 HD3 PRO 74 HD3 PRO 74 1.015 9.715 0.001 521 H ILE 75 H ILE 75 3.860 5.957 2.671 522 HA ILE 75 HA ILE 75 4.878 4.199 0.566 523 HB ILE 75 HB ILE 75 7.142 4.551 0.997 524 HG12 ILE 75 HG13 ILE 75 7.589 6.380 2.987 525 HG13 ILE 75 3HG1 ILE 75 6.239 5.455 3.643 526 HG21 ILE 75 HG21 ILE 75 6.282 6.395 -0.265 527 HG22 ILE 75 HG22 ILE 75 5.827 7.250 1.210 528 HG23 ILE 75 HG23 ILE 75 7.530 6.988 0.830 529 HD11 ILE 75 HD11 ILE 75 8.369 4.534 4.358 530 HD12 ILE 75 HD12 ILE 75 7.501 3.389 3.332 531 HD13 ILE 75 HD13 ILE 75 8.852 4.315 2.675 532 H LEU 76 H LEU 76 5.376 2.162 1.252 533 HA LEU 76 HA LEU 76 4.682 1.575 4.050 534 HB2 LEU 76 HB2 LEU 76 3.055 0.743 2.433 535 HB3 LEU 76 HB3 LEU 76 4.316 -0.087 1.555 536 HG LEU 76 HG LEU 76 2.708 -1.391 3.138 537 HD11 LEU 76 HD11 LEU 76 5.683 -1.856 3.124 538 HD12 LEU 76 HD12 LEU 76 4.464 -3.053 3.557 539 HD13 LEU 76 HD13 LEU 76 4.531 -2.418 1.913 540 HD21 LEU 76 HD21 LEU 76 3.109 -0.013 5.108 541 HD22 LEU 76 HD22 LEU 76 3.561 -1.697 5.379 542 HD23 LEU 76 HD23 LEU 76 4.809 -0.487 5.085 543 H ARG 77 H ARG 77 6.202 0.655 5.286 544 HA ARG 77 HA ARG 77 8.472 -0.614 3.917 545 HB2 ARG 77 HB2 ARG 77 10.040 0.289 5.423 546 HB3 ARG 77 HB3 ARG 77 9.016 1.638 4.967 547 HG2 ARG 77 HG2 ARG 77 8.590 0.076 7.496 548 HG3 ARG 77 HG3 ARG 77 9.673 1.461 7.398 549 HD2 ARG 77 HD2 ARG 77 6.731 1.468 6.772 550 HD3 ARG 77 HD3 ARG 77 7.477 2.109 8.236 551 HE ARG 77 HE ARG 77 7.691 3.245 5.540 552 HH11 ARG 77 HH12 ARG 77 8.248 3.488 8.980 553 HH12 ARG 77 HH11 ARG 77 8.680 5.175 8.924 554 HH21 ARG 77 HH22 ARG 77 8.253 5.466 5.452 555 HH22 ARG 77 HH21 ARG 77 8.658 6.308 6.914 556 H ALA 78 H ALA 78 9.252 -2.457 4.761 557 HA ALA 78 HA ALA 78 8.402 -3.522 7.293 558 HB1 ALA 78 HB1 ALA 78 6.425 -3.995 5.894 559 HB2 ALA 78 HB2 ALA 78 7.453 -4.885 4.772 560 HB3 ALA 78 HB3 ALA 78 7.238 -5.468 6.423 561 H ARG 79 H ARG 79 9.293 -5.837 7.522 562 HA ARG 79 HA ARG 79 11.997 -5.825 6.450 563 HB2 ARG 79 HB2 ARG 79 10.960 -8.078 8.114 564 HB3 ARG 79 HB3 ARG 79 12.565 -7.372 8.084 565 HG2 ARG 79 HG2 ARG 79 10.108 -6.262 9.411 566 HG3 ARG 79 HG3 ARG 79 11.553 -6.907 10.188 567 HD2 ARG 79 HD2 ARG 79 12.864 -5.059 9.195 568 HD3 ARG 79 HD3 ARG 79 11.366 -4.419 8.511 569 HE ARG 79 HE ARG 79 10.597 -3.966 10.734 570 HH11 ARG 79 HH12 ARG 79 13.998 -4.803 10.490 571 HH12 ARG 79 HH11 ARG 79 14.385 -4.151 12.057 572 HH21 ARG 79 HH22 ARG 79 11.098 -3.098 12.741 573 HH22 ARG 79 HH21 ARG 79 12.737 -3.150 13.333 574 H LEU 80 H LEU 80 12.369 -6.716 4.551 575 HA LEU 80 HA LEU 80 10.571 -8.816 3.590 576 HB2 LEU 80 HB2 LEU 80 12.244 -6.732 2.308 577 HB3 LEU 80 HB3 LEU 80 12.096 -8.256 1.457 578 HG LEU 80 HG LEU 80 9.812 -7.992 1.119 579 HD11 LEU 80 HD11 LEU 80 8.433 -6.298 2.201 580 HD12 LEU 80 HD12 LEU 80 9.135 -7.440 3.347 581 HD13 LEU 80 HD13 LEU 80 9.820 -5.822 3.184 582 HD21 LEU 80 HD21 LEU 80 11.035 -6.545 -0.320 583 HD22 LEU 80 HD22 LEU 80 9.551 -5.730 0.173 584 HD23 LEU 80 HD23 LEU 80 11.087 -5.287 0.919 585 H ARG 81 H ARG 81 11.208 -10.837 3.401 586 HA ARG 81 HA ARG 81 13.804 -11.597 4.323 587 HB2 ARG 81 HB2 ARG 81 11.967 -12.990 4.911 588 HB3 ARG 81 HB3 ARG 81 11.462 -13.156 3.237 589 HG2 ARG 81 HG2 ARG 81 14.178 -14.097 3.765 590 HG3 ARG 81 HG3 ARG 81 12.927 -14.974 4.640 591 HD2 ARG 81 HD2 ARG 81 11.716 -15.141 2.398 592 HD3 ARG 81 HD3 ARG 81 13.242 -14.614 1.679 593 HE ARG 81 HE ARG 81 14.211 -16.644 2.241 594 HH11 ARG 81 HH12 ARG 81 10.945 -16.439 3.469 595 HH12 ARG 81 HH11 ARG 81 10.813 -18.139 3.806 596 HH21 ARG 81 HH22 ARG 81 14.072 -18.884 2.685 597 HH22 ARG 81 HH21 ARG 81 12.609 -19.530 3.380 598 H ASP 82 H ASP 82 15.522 -12.308 3.224 599 HA ASP 82 HA ASP 82 15.565 -11.810 0.357 600 HB2 ASP 82 HB2 ASP 82 17.685 -12.197 2.444 601 HB3 ASP 82 HB3 ASP 82 18.074 -12.374 0.739 602 H CYS 83 H CYS 83 17.096 -13.413 -0.867 603 HA CYS 83 HA CYS 83 15.777 -15.905 -0.922 604 HB2 CYS 83 HB2 CYS 83 16.923 -14.817 -2.869 605 HB3 CYS 83 HB3 CYS 83 18.466 -15.229 -2.132 606 HG CYS 83 HG CYS 83 16.169 -17.315 -3.541 607 H ASN 84 H ASN 84 18.533 -14.742 0.800 608 HA ASN 84 HA ASN 84 19.690 -17.287 1.389 609 HB2 ASN 84 HB2 ASN 84 20.890 -15.060 1.456 610 HB3 ASN 84 HB3 ASN 84 20.037 -14.727 2.959 611 HD21 ASN 84 HD21 ASN 84 22.437 -16.689 1.397 612 HD22 ASN 84 HD22 ASN 84 23.182 -17.291 2.840 613 H GLY 85 H GLY 85 17.019 -15.546 2.607 614 HA2 GLY 85 HA3 GLY 85 15.389 -16.504 4.023 615 HA3 GLY 85 HA2 GLY 85 16.614 -17.596 4.658 616 H GLU 86 H GLU 86 16.714 -14.103 4.288 617 HA GLU 86 HA GLU 86 16.955 -13.849 7.208 618 HB2 GLU 86 HB2 GLU 86 18.624 -12.119 6.879 619 HB3 GLU 86 HB3 GLU 86 19.121 -13.577 6.029 620 HG2 GLU 86 HG2 GLU 86 18.396 -12.638 3.926 621 HG3 GLU 86 HG3 GLU 86 17.804 -11.196 4.747 622 H PHE 87 H PHE 87 17.028 -11.000 7.220 623 HA PHE 87 HA PHE 87 14.575 -10.221 5.830 624 HB2 PHE 87 HB2 PHE 87 13.544 -9.311 7.847 625 HB3 PHE 87 HB3 PHE 87 13.828 -11.036 8.035 626 HD1 PHE 87 HD1 PHE 87 15.873 -11.763 9.378 627 HD2 PHE 87 HD2 PHE 87 14.355 -7.786 9.408 628 HE1 PHE 87 HE1 PHE 87 17.061 -11.327 11.488 629 HE2 PHE 87 HE2 PHE 87 15.544 -7.343 11.515 630 HZ PHE 87 HZ PHE 87 16.900 -9.115 12.556 631 H HIS 88 H HIS 88 14.540 -8.303 5.097 632 HA HIS 88 HA HIS 88 16.414 -6.295 6.109 633 HB2 HIS 88 HB2 HIS 88 16.322 -7.533 3.426 634 HB3 HIS 88 HB3 HIS 88 16.485 -5.792 3.462 635 HD1 HIS 88 HD1 HIS 88 18.555 -4.989 5.193 636 HD2 HIS 88 HD2 HIS 88 18.685 -8.807 3.537 637 HE1 HIS 88 HE1 HIS 88 20.954 -5.736 5.383 638 HE2 HIS 88 HE2 HIS 88 20.988 -8.088 4.476 639 H ASP 89 H ASP 89 15.178 -4.669 6.731 640 HA ASP 89 HA ASP 89 12.520 -4.271 5.892 641 HB2 ASP 89 HB2 ASP 89 12.668 -2.113 7.101 642 HB3 ASP 89 HB3 ASP 89 13.235 -3.476 8.058 643 H ARG 90 H ARG 90 11.843 -3.613 4.005 644 HA ARG 90 HA ARG 90 13.448 -1.589 2.575 645 HB2 ARG 90 HB2 ARG 90 11.562 -3.663 1.436 646 HB3 ARG 90 HB3 ARG 90 12.450 -2.469 0.496 647 HG2 ARG 90 HG2 ARG 90 13.617 -4.710 2.124 648 HG3 ARG 90 HG3 ARG 90 13.552 -4.598 0.366 649 HD2 ARG 90 HD2 ARG 90 14.995 -2.624 0.442 650 HD3 ARG 90 HD3 ARG 90 15.054 -2.735 2.200 651 HE ARG 90 HE ARG 90 15.893 -5.155 0.952 652 HH11 ARG 90 HH12 ARG 90 16.974 -1.927 1.799 653 HH12 ARG 90 HH11 ARG 90 18.655 -2.378 1.850 654 HH21 ARG 90 HH22 ARG 90 18.067 -5.760 1.052 655 HH22 ARG 90 HH21 ARG 90 19.283 -4.566 1.421 656 H ASP 91 H ASP 91 11.886 -0.384 0.953 657 HA ASP 91 HA ASP 91 9.332 0.183 2.220 658 HB2 ASP 91 HB2 ASP 91 9.765 2.629 2.108 659 HB3 ASP 91 HB3 ASP 91 10.795 1.800 3.267 660 H VAL 92 H VAL 92 7.808 0.929 0.817 661 HA VAL 92 HA VAL 92 8.660 1.169 -1.985 662 HB VAL 92 HB VAL 92 7.759 -1.091 -1.547 663 HG11 VAL 92 HG11 VAL 92 5.184 0.350 -0.969 664 HG12 VAL 92 HG12 VAL 92 5.364 -1.393 -1.165 665 HG13 VAL 92 HG13 VAL 92 6.148 -0.572 0.186 666 HG21 VAL 92 HG21 VAL 92 7.666 -0.169 -3.757 667 HG22 VAL 92 HG22 VAL 92 6.223 -1.135 -3.447 668 HG23 VAL 92 HG23 VAL 92 6.134 0.627 -3.393 669 H ASN 93 H ASN 93 7.419 2.433 -3.296 670 HA ASN 93 HA ASN 93 6.029 4.589 -1.959 671 HB2 ASN 93 HB2 ASN 93 6.771 4.118 -4.849 672 HB3 ASN 93 HB3 ASN 93 5.941 5.552 -4.277 673 HD21 ASN 93 HD21 ASN 93 7.512 5.523 -1.750 674 HD22 ASN 93 HD22 ASN 93 9.068 6.138 -2.187 675 H LEU 94 H LEU 94 3.946 4.318 -1.465 676 HA LEU 94 HA LEU 94 2.312 2.471 -2.960 677 HB2 LEU 94 HB2 LEU 94 1.642 4.268 -0.634 678 HB3 LEU 94 HB3 LEU 94 0.528 3.119 -1.348 679 HG LEU 94 HG LEU 94 2.904 2.635 0.389 680 HD11 LEU 94 HD11 LEU 94 1.383 1.060 1.448 681 HD12 LEU 94 HD12 LEU 94 0.657 2.664 1.332 682 HD13 LEU 94 HD13 LEU 94 0.167 1.391 0.214 683 HD21 LEU 94 HD21 LEU 94 3.005 0.302 -0.272 684 HD22 LEU 94 HD22 LEU 94 1.798 0.584 -1.526 685 HD23 LEU 94 HD23 LEU 94 3.385 1.344 -1.645 686 H ASN 95 H ASN 95 3.224 5.539 -3.589 687 HA ASN 95 HA ASN 95 0.883 6.881 -4.317 688 HB2 ASN 95 HB2 ASN 95 3.489 7.052 -5.837 689 HB3 ASN 95 HB3 ASN 95 2.238 8.286 -5.718 690 HD21 ASN 95 HD21 ASN 95 5.027 6.951 -4.374 691 HD22 ASN 95 HD22 ASN 95 5.171 7.983 -3.006 692 H ARG 96 H ARG 96 2.348 4.123 -5.670 693 HA ARG 96 HA ARG 96 1.570 4.319 -8.361 694 HB2 ARG 96 HB2 ARG 96 2.167 2.019 -6.526 695 HB3 ARG 96 HB3 ARG 96 1.546 1.717 -8.139 696 HG2 ARG 96 HG2 ARG 96 3.992 1.551 -7.993 697 HG3 ARG 96 HG3 ARG 96 3.453 2.777 -9.136 698 HD2 ARG 96 HD2 ARG 96 4.080 3.573 -6.329 699 HD3 ARG 96 HD3 ARG 96 5.399 3.262 -7.457 700 HE ARG 96 HE ARG 96 3.316 5.102 -8.322 701 HH11 ARG 96 HH12 ARG 96 6.563 4.632 -7.078 702 HH12 ARG 96 HH11 ARG 96 7.069 6.257 -7.451 703 HH21 ARG 96 HH22 ARG 96 3.984 7.203 -8.837 704 HH22 ARG 96 HH21 ARG 96 5.606 7.711 -8.469 705 H ILE 97 H ILE 97 -0.180 3.698 -5.481 706 HA ILE 97 HA ILE 97 -2.448 2.448 -6.741 707 HB ILE 97 HB ILE 97 -2.156 3.561 -3.943 708 HG12 ILE 97 HG13 ILE 97 -2.025 0.650 -4.584 709 HG13 ILE 97 3HG1 ILE 97 -0.604 1.636 -4.916 710 HG21 ILE 97 HG21 ILE 97 -4.485 3.249 -4.618 711 HG22 ILE 97 HG22 ILE 97 -4.134 1.586 -5.093 712 HG23 ILE 97 HG23 ILE 97 -4.019 2.064 -3.399 713 HD11 ILE 97 HD11 ILE 97 -0.466 0.587 -2.739 714 HD12 ILE 97 HD12 ILE 97 -0.551 2.344 -2.591 715 HD13 ILE 97 HD13 ILE 97 -1.977 1.359 -2.257 716 H GLN 98 H GLN 98 -4.239 3.403 -7.441 717 HA GLN 98 HA GLN 98 -4.593 6.284 -6.950 718 HB2 GLN 98 HB2 GLN 98 -3.831 5.426 -9.319 719 HB3 GLN 98 HB3 GLN 98 -5.523 4.977 -9.483 720 HG2 GLN 98 HG2 GLN 98 -6.200 7.268 -9.132 721 HG3 GLN 98 HG3 GLN 98 -4.527 7.746 -8.855 722 HE21 GLN 98 HE21 GLN 98 -3.581 5.909 -10.978 723 HE22 GLN 98 HE22 GLN 98 -3.964 6.709 -12.465 724 H ASN 99 H ASN 99 -6.926 6.933 -7.386 725 HA ASN 99 HA ASN 99 -8.718 4.846 -6.344 726 HB2 ASN 99 HB2 ASN 99 -8.644 6.458 -4.665 727 HB3 ASN 99 HB3 ASN 99 -8.539 7.792 -5.809 728 HD21 ASN 99 HD21 ASN 99 -10.371 8.717 -6.565 729 HD22 ASN 99 HD22 ASN 99 -11.955 8.296 -6.022 730 H VAL 100 H VAL 100 -10.285 4.197 -7.639 731 HA VAL 100 HA VAL 100 -11.094 5.968 -9.852 732 HB VAL 100 HB VAL 100 -11.304 2.955 -9.786 733 HG11 VAL 100 HG11 VAL 100 -11.786 3.164 -12.170 734 HG12 VAL 100 HG12 VAL 100 -12.969 4.038 -11.200 735 HG13 VAL 100 HG13 VAL 100 -11.693 4.920 -12.040 736 HG21 VAL 100 HG21 VAL 100 -9.280 4.699 -11.179 737 HG22 VAL 100 HG22 VAL 100 -8.971 3.597 -9.836 738 HG23 VAL 100 HG23 VAL 100 -9.459 2.958 -11.406 739 H ASN 101 H ASN 101 -12.753 7.011 -8.849 740 HA ASN 101 HA ASN 101 -14.840 7.404 -8.074 741 HB2 ASN 101 HB2 ASN 101 -15.313 6.120 -10.222 742 HB3 ASN 101 HB3 ASN 101 -15.613 4.721 -9.194 743 HD21 ASN 101 HD21 ASN 101 -17.778 4.606 -9.790 744 HD22 ASN 101 HD22 ASN 101 -18.946 5.763 -9.253 745 H GLY 102 H GLY 102 -12.966 5.876 -6.369 746 HA2 GLY 102 HA3 GLY 102 -13.546 5.628 -4.010 747 HA3 GLY 102 HA2 GLY 102 -15.021 4.833 -4.525 748 H ARG 103 H ARG 103 -12.138 3.936 -6.198 749 HA ARG 103 HA ARG 103 -11.892 1.575 -4.472 750 HB2 ARG 103 HB2 ARG 103 -11.831 0.085 -6.302 751 HB3 ARG 103 HB3 ARG 103 -13.205 1.142 -6.597 752 HG2 ARG 103 HG2 ARG 103 -11.840 2.464 -8.148 753 HG3 ARG 103 HG3 ARG 103 -10.492 1.357 -7.879 754 HD2 ARG 103 HD2 ARG 103 -11.698 0.825 -9.936 755 HD3 ARG 103 HD3 ARG 103 -11.809 -0.485 -8.762 756 HE ARG 103 HE ARG 103 -14.053 0.838 -8.237 757 HH11 ARG 103 HH12 ARG 103 -12.633 -0.047 -11.313 758 HH12 ARG 103 HH11 ARG 103 -14.171 -0.239 -12.113 759 HH21 ARG 103 HH22 ARG 103 -16.061 0.578 -9.251 760 HH22 ARG 103 HH21 ARG 103 -16.135 0.091 -10.918 761 H LEU 104 H LEU 104 -9.872 0.797 -4.144 762 HA LEU 104 HA LEU 104 -7.661 2.494 -4.979 763 HB2 LEU 104 HB2 LEU 104 -8.211 0.631 -2.790 764 HB3 LEU 104 HB3 LEU 104 -6.597 0.460 -3.449 765 HG LEU 104 HG LEU 104 -6.022 2.694 -2.889 766 HD11 LEU 104 HD11 LEU 104 -8.916 3.111 -2.149 767 HD12 LEU 104 HD12 LEU 104 -7.614 4.279 -1.922 768 HD13 LEU 104 HD13 LEU 104 -8.088 3.794 -3.551 769 HD21 LEU 104 HD21 LEU 104 -6.373 2.722 -0.466 770 HD22 LEU 104 HD22 LEU 104 -7.628 1.494 -0.632 771 HD23 LEU 104 HD23 LEU 104 -5.956 1.107 -1.039 772 H VAL 105 H VAL 105 -6.389 2.023 -6.628 773 HA VAL 105 HA VAL 105 -6.047 -0.794 -7.400 774 HB VAL 105 HB VAL 105 -7.645 0.156 -8.971 775 HG11 VAL 105 HG11 VAL 105 -7.069 2.510 -8.775 776 HG12 VAL 105 HG12 VAL 105 -5.533 2.217 -9.590 777 HG13 VAL 105 HG13 VAL 105 -7.050 1.999 -10.463 778 HG21 VAL 105 HG21 VAL 105 -6.467 -0.318 -11.062 779 HG22 VAL 105 HG22 VAL 105 -4.922 -0.211 -10.218 780 HG23 VAL 105 HG23 VAL 105 -6.064 -1.493 -9.811 781 H PHE 106 H PHE 106 -3.991 -1.382 -7.637 782 HA PHE 106 HA PHE 106 -1.904 0.597 -7.283 783 HB2 PHE 106 HB2 PHE 106 -0.463 -1.214 -6.812 784 HB3 PHE 106 HB3 PHE 106 -2.013 -1.719 -6.148 785 HD1 PHE 106 HD1 PHE 106 -3.534 -3.030 -7.948 786 HD2 PHE 106 HD2 PHE 106 0.715 -2.773 -8.005 787 HE1 PHE 106 HE1 PHE 106 -3.433 -5.069 -9.320 788 HE2 PHE 106 HE2 PHE 106 0.821 -4.813 -9.377 789 HZ PHE 106 HZ PHE 106 -1.252 -5.960 -10.040 790 H GLN 107 H GLN 107 -0.263 1.059 -8.766 791 HA GLN 107 HA GLN 107 0.738 1.357 -10.780 792 HB2 GLN 107 HB2 GLN 107 -0.309 -1.443 -11.211 793 HB3 GLN 107 HB3 GLN 107 0.736 -0.616 -12.357 794 HG2 GLN 107 HG2 GLN 107 1.531 -0.993 -9.491 795 HG3 GLN 107 HG3 GLN 107 1.813 -2.237 -10.708 796 HE21 GLN 107 HE21 GLN 107 3.351 -1.916 -12.276 797 HE22 GLN 107 HE22 GLN 107 4.503 -0.625 -12.216 Start of MODEL 9 1 H MET 1 H MET 1 -3.694 13.579 -6.478 2 HA MET 1 HA MET 1 -1.570 13.049 -8.449 3 HB2 MET 1 HB2 MET 1 -0.349 12.328 -6.268 4 HB3 MET 1 HB3 MET 1 -0.415 14.027 -6.712 5 HG2 MET 1 HG2 MET 1 -2.214 14.399 -5.140 6 HG3 MET 1 HG3 MET 1 -2.252 12.683 -4.753 7 HE1 MET 1 HE1 MET 1 -2.102 13.410 -2.152 8 HE2 MET 1 HE2 MET 1 -0.810 14.428 -1.515 9 HE3 MET 1 HE3 MET 1 -1.996 15.104 -2.631 10 H SER 2 H SER 2 -1.859 11.173 -5.559 11 HA SER 2 HA SER 2 -2.665 8.886 -7.208 12 HB2 SER 2 HB2 SER 2 -1.395 8.780 -4.473 13 HB3 SER 2 HB3 SER 2 -1.439 7.514 -5.703 14 HG SER 2 HG SER 2 0.006 8.674 -6.941 15 H TYR 3 H TYR 3 -3.504 7.148 -5.171 16 HA TYR 3 HA TYR 3 -6.146 7.965 -4.758 17 HB2 TYR 3 HB2 TYR 3 -6.453 6.000 -3.509 18 HB3 TYR 3 HB3 TYR 3 -5.130 5.592 -4.592 19 HD1 TYR 3 HD2 TYR 3 -2.741 5.725 -3.651 20 HD2 TYR 3 HD1 TYR 3 -6.218 5.788 -1.203 21 HE1 TYR 3 HE2 TYR 3 -1.377 5.093 -1.709 22 HE2 TYR 3 HE1 TYR 3 -4.873 5.161 0.751 23 HH TYR 3 HH TYR 3 -2.677 3.988 1.178 24 H ALA 4 H ALA 4 -3.284 8.288 -2.764 25 HA ALA 4 HA ALA 4 -4.402 9.120 -0.359 26 HB1 ALA 4 HB1 ALA 4 -1.759 9.964 -1.524 27 HB2 ALA 4 HB2 ALA 4 -2.221 10.020 0.177 28 HB3 ALA 4 HB3 ALA 4 -2.056 8.466 -0.642 29 H ASP 5 H ASP 5 -4.188 10.783 -3.340 30 HA ASP 5 HA ASP 5 -4.097 13.460 -2.569 31 HB2 ASP 5 HB2 ASP 5 -3.991 12.853 -4.907 32 HB3 ASP 5 HB3 ASP 5 -5.582 12.108 -4.836 33 H SER 6 H SER 6 -6.717 11.156 -2.651 34 HA SER 6 HA SER 6 -8.386 13.071 -1.156 35 HB2 SER 6 HB2 SER 6 -9.327 11.249 -3.383 36 HB3 SER 6 HB3 SER 6 -10.380 12.225 -2.361 37 HG SER 6 HG SER 6 -8.269 13.413 -3.833 38 H SER 7 H SER 7 -6.719 10.942 -0.129 39 HA SER 7 HA SER 7 -8.802 9.157 0.948 40 HB2 SER 7 HB2 SER 7 -5.898 8.531 0.421 41 HB3 SER 7 HB3 SER 7 -7.001 7.471 1.298 42 HG SER 7 HG SER 7 -7.238 8.337 -1.396 43 H ARG 8 H ARG 8 -8.557 8.452 3.102 44 HA ARG 8 HA ARG 8 -6.646 9.768 4.832 45 HB2 ARG 8 HB2 ARG 8 -8.225 10.876 6.229 46 HB3 ARG 8 HB3 ARG 8 -8.629 11.355 4.586 47 HG2 ARG 8 HG2 ARG 8 -10.159 9.090 5.029 48 HG3 ARG 8 HG3 ARG 8 -10.217 9.966 6.560 49 HD2 ARG 8 HD2 ARG 8 -12.035 10.688 5.157 50 HD3 ARG 8 HD3 ARG 8 -10.873 12.002 5.335 51 HE ARG 8 HE ARG 8 -10.897 10.267 2.954 52 HH11 ARG 8 HH12 ARG 8 -10.870 13.424 4.453 53 HH12 ARG 8 HH11 ARG 8 -10.782 14.291 2.944 54 HH21 ARG 8 HH22 ARG 8 -10.768 11.395 0.955 55 HH22 ARG 8 HH21 ARG 8 -10.753 13.134 0.952 56 H ASN 9 H ASN 9 -7.103 8.966 7.164 57 HA ASN 9 HA ASN 9 -7.106 7.173 8.562 58 HB2 ASN 9 HB2 ASN 9 -9.658 6.831 7.028 59 HB3 ASN 9 HB3 ASN 9 -9.163 5.593 8.179 60 HD21 ASN 9 HD21 ASN 9 -11.448 7.412 8.216 61 HD22 ASN 9 HD22 ASN 9 -11.316 8.286 9.715 62 H ALA 10 H ALA 10 -5.566 6.967 6.168 63 HA ALA 10 HA ALA 10 -5.812 4.311 5.146 64 HB1 ALA 10 HB1 ALA 10 -3.442 6.155 4.922 65 HB2 ALA 10 HB2 ALA 10 -3.842 4.791 3.879 66 HB3 ALA 10 HB3 ALA 10 -4.855 6.234 3.870 67 H VAL 11 H VAL 11 -5.341 2.590 6.272 68 HA VAL 11 HA VAL 11 -2.949 2.539 7.969 69 HB VAL 11 HB VAL 11 -5.617 1.450 8.907 70 HG11 VAL 11 HG11 VAL 11 -3.698 0.276 9.818 71 HG12 VAL 11 HG12 VAL 11 -2.991 1.803 10.347 72 HG13 VAL 11 HG13 VAL 11 -4.489 1.228 11.076 73 HG21 VAL 11 HG21 VAL 11 -5.744 3.882 8.870 74 HG22 VAL 11 HG22 VAL 11 -5.674 3.288 10.531 75 HG23 VAL 11 HG23 VAL 11 -4.239 3.988 9.783 76 H LEU 12 H LEU 12 -2.185 0.355 8.352 77 HA LEU 12 HA LEU 12 -2.933 -1.432 6.181 78 HB2 LEU 12 HB2 LEU 12 -0.499 -0.809 7.464 79 HB3 LEU 12 HB3 LEU 12 -0.853 -2.481 7.850 80 HG LEU 12 HG LEU 12 -0.907 -3.091 5.539 81 HD11 LEU 12 HD11 LEU 12 -2.049 -1.156 4.633 82 HD12 LEU 12 HD12 LEU 12 -0.630 -0.151 4.938 83 HD13 LEU 12 HD13 LEU 12 -0.552 -1.449 3.748 84 HD21 LEU 12 HD21 LEU 12 1.352 -2.510 4.833 85 HD22 LEU 12 HD22 LEU 12 1.407 -1.233 6.047 86 HD23 LEU 12 HD23 LEU 12 1.301 -2.921 6.549 87 H THR 13 H THR 13 -3.839 -3.406 6.494 88 HA THR 13 HA THR 13 -4.574 -4.127 9.246 89 HB THR 13 HB THR 13 -6.281 -4.593 6.790 90 HG1 THR 13 HG1 THR 13 -6.481 -2.478 8.709 91 HG21 THR 13 HG21 THR 13 -6.961 -4.589 9.737 92 HG22 THR 13 HG22 THR 13 -6.735 -6.026 8.743 93 HG23 THR 13 HG23 THR 13 -8.075 -4.929 8.411 94 H ASN 14 H ASN 14 -5.088 -6.444 9.490 95 HA ASN 14 HA ASN 14 -4.747 -8.676 9.221 96 HB2 ASN 14 HB2 ASN 14 -5.262 -7.837 6.708 97 HB3 ASN 14 HB3 ASN 14 -3.626 -8.445 6.493 98 HD21 ASN 14 HD21 ASN 14 -3.787 -10.542 8.433 99 HD22 ASN 14 HD22 ASN 14 -4.816 -11.768 7.771 100 H GLY 15 H GLY 15 -2.489 -6.439 9.443 101 HA2 GLY 15 HA3 GLY 15 -0.379 -6.815 10.470 102 HA3 GLY 15 HA2 GLY 15 -0.330 -8.408 9.726 103 H GLY 16 H GLY 16 -1.319 -5.696 7.860 104 HA2 GLY 16 HA3 GLY 16 0.000 -4.320 6.451 105 HA3 GLY 16 HA2 GLY 16 1.349 -5.422 6.682 106 H ARG 17 H ARG 17 -1.684 -6.849 6.076 107 HA ARG 17 HA ARG 17 -0.753 -7.652 3.422 108 HB2 ARG 17 HB2 ARG 17 -3.092 -8.879 4.855 109 HB3 ARG 17 HB3 ARG 17 -2.060 -9.587 3.621 110 HG2 ARG 17 HG2 ARG 17 -0.192 -9.495 5.336 111 HG3 ARG 17 HG3 ARG 17 -1.437 -9.124 6.518 112 HD2 ARG 17 HD2 ARG 17 -0.874 -11.522 6.437 113 HD3 ARG 17 HD3 ARG 17 -2.566 -11.197 6.067 114 HE ARG 17 HE ARG 17 -1.219 -11.293 3.640 115 HH11 ARG 17 HH12 ARG 17 -1.694 -13.475 6.331 116 HH12 ARG 17 HH11 ARG 17 -1.889 -14.884 5.327 117 HH21 ARG 17 HH22 ARG 17 -1.500 -13.130 2.299 118 HH22 ARG 17 HH21 ARG 17 -1.730 -14.694 3.041 119 H THR 18 H THR 18 -3.083 -5.701 4.977 120 HA THR 18 HA THR 18 -4.475 -5.355 2.411 121 HB THR 18 HB THR 18 -5.813 -5.313 5.119 122 HG1 THR 18 HG1 THR 18 -6.205 -7.267 3.081 123 HG21 THR 18 HG21 THR 18 -6.884 -3.854 3.480 124 HG22 THR 18 HG22 THR 18 -7.893 -5.261 3.823 125 HG23 THR 18 HG23 THR 18 -6.962 -5.191 2.327 126 H LEU 19 H LEU 19 -4.387 -3.338 1.724 127 HA LEU 19 HA LEU 19 -3.679 -1.184 3.548 128 HB2 LEU 19 HB2 LEU 19 -2.451 -1.317 1.475 129 HB3 LEU 19 HB3 LEU 19 -3.938 -1.342 0.547 130 HG LEU 19 HG LEU 19 -4.405 0.975 1.268 131 HD11 LEU 19 HD11 LEU 19 -3.214 0.990 3.373 132 HD12 LEU 19 HD12 LEU 19 -1.678 0.776 2.532 133 HD13 LEU 19 HD13 LEU 19 -2.599 2.265 2.319 134 HD21 LEU 19 HD21 LEU 19 -1.725 0.532 -0.029 135 HD22 LEU 19 HD22 LEU 19 -3.290 0.538 -0.841 136 HD23 LEU 19 HD23 LEU 19 -2.673 2.019 -0.107 137 H ARG 20 H ARG 20 -5.392 -0.438 4.636 138 HA ARG 20 HA ARG 20 -7.946 -0.104 3.226 139 HB2 ARG 20 HB2 ARG 20 -7.583 -1.336 5.521 140 HB3 ARG 20 HB3 ARG 20 -7.554 0.292 6.177 141 HG2 ARG 20 HG2 ARG 20 -9.813 -0.894 4.586 142 HG3 ARG 20 HG3 ARG 20 -9.751 -0.779 6.344 143 HD2 ARG 20 HD2 ARG 20 -9.783 1.504 4.377 144 HD3 ARG 20 HD3 ARG 20 -11.091 1.015 5.452 145 HE ARG 20 HE ARG 20 -8.591 2.342 6.241 146 HH11 ARG 20 HH12 ARG 20 -11.735 1.077 7.120 147 HH12 ARG 20 HH11 ARG 20 -11.838 2.020 8.578 148 HH21 ARG 20 HH22 ARG 20 -8.731 3.582 8.158 149 HH22 ARG 20 HH21 ARG 20 -10.144 3.440 9.169 150 H ALA 21 H ALA 21 -8.594 1.868 2.620 151 HA ALA 21 HA ALA 21 -7.761 4.223 4.111 152 HB1 ALA 21 HB1 ALA 21 -7.103 3.934 1.177 153 HB2 ALA 21 HB2 ALA 21 -6.870 5.381 2.159 154 HB3 ALA 21 HB3 ALA 21 -5.935 3.925 2.500 155 H GLU 22 H GLU 22 -9.175 5.959 3.846 156 HA GLU 22 HA GLU 22 -11.634 5.276 2.399 157 HB2 GLU 22 HB2 GLU 22 -11.308 7.604 4.280 158 HB3 GLU 22 HB3 GLU 22 -12.782 6.758 3.827 159 HG2 GLU 22 HG2 GLU 22 -11.653 4.720 4.975 160 HG3 GLU 22 HG3 GLU 22 -10.650 5.947 5.749 161 H CYS 23 H CYS 23 -11.655 5.975 0.393 162 HA CYS 23 HA CYS 23 -10.471 8.602 -0.216 163 HB2 CYS 23 HB2 CYS 23 -10.233 7.666 -2.552 164 HB3 CYS 23 HB3 CYS 23 -9.197 6.936 -1.330 165 HG CYS 23 HG CYS 23 -11.994 5.224 -1.495 166 H ARG 24 H ARG 24 -11.622 10.043 -1.413 167 HA ARG 24 HA ARG 24 -14.458 9.654 -1.512 168 HB2 ARG 24 HB2 ARG 24 -14.377 11.873 -1.263 169 HB3 ARG 24 HB3 ARG 24 -12.647 11.884 -1.566 170 HG2 ARG 24 HG2 ARG 24 -14.589 11.799 -3.841 171 HG3 ARG 24 HG3 ARG 24 -14.200 13.322 -3.037 172 HD2 ARG 24 HD2 ARG 24 -12.084 13.367 -3.847 173 HD3 ARG 24 HD3 ARG 24 -11.922 11.613 -3.813 174 HE ARG 24 HE ARG 24 -13.670 11.919 -5.799 175 HH11 ARG 24 HH12 ARG 24 -10.661 13.597 -5.121 176 HH12 ARG 24 HH11 ARG 24 -10.297 13.896 -6.796 177 HH21 ARG 24 HH22 ARG 24 -13.175 12.287 -8.008 178 HH22 ARG 24 HH21 ARG 24 -11.717 13.125 -8.443 179 H ASN 25 H ASN 25 -15.734 9.369 -3.304 180 HA ASN 25 HA ASN 25 -14.384 8.225 -5.604 181 HB2 ASN 25 HB2 ASN 25 -16.513 7.350 -6.240 182 HB3 ASN 25 HB3 ASN 25 -16.368 7.155 -4.502 183 HD21 ASN 25 HD21 ASN 25 -18.737 7.209 -6.149 184 HD22 ASN 25 HD22 ASN 25 -19.723 8.494 -5.546 185 H ALA 26 H ALA 26 -15.880 8.696 -7.754 186 HA ALA 26 HA ALA 26 -15.112 11.250 -8.603 187 HB1 ALA 26 HB1 ALA 26 -17.239 9.458 -9.767 188 HB2 ALA 26 HB2 ALA 26 -16.470 10.818 -10.585 189 HB3 ALA 26 HB3 ALA 26 -15.516 9.402 -10.141 190 H ASP 27 H ASP 27 -18.026 10.121 -7.074 191 HA ASP 27 HA ASP 27 -19.646 12.388 -7.672 192 HB2 ASP 27 HB2 ASP 27 -20.494 10.121 -6.992 193 HB3 ASP 27 HB3 ASP 27 -19.956 10.472 -5.358 194 H GLY 28 H GLY 28 -17.214 11.720 -5.317 195 HA2 GLY 28 HA3 GLY 28 -16.135 13.506 -4.146 196 HA3 GLY 28 HA2 GLY 28 -17.658 14.384 -4.153 197 H ASN 29 H ASN 29 -18.162 11.153 -3.441 198 HA ASN 29 HA ASN 29 -18.593 11.797 -0.618 199 HB2 ASN 29 HB2 ASN 29 -20.215 10.516 -2.308 200 HB3 ASN 29 HB3 ASN 29 -19.270 9.132 -1.772 201 HD21 ASN 29 HD21 ASN 29 -22.059 9.648 -1.325 202 HD22 ASN 29 HD22 ASN 29 -22.288 9.725 0.389 203 H TRP 30 H TRP 30 -17.688 10.562 1.055 204 HA TRP 30 HA TRP 30 -15.081 9.497 0.484 205 HB2 TRP 30 HB2 TRP 30 -16.644 9.763 3.054 206 HB3 TRP 30 HB3 TRP 30 -15.026 9.078 2.974 207 HD1 TRP 30 HD1 TRP 30 -14.828 11.690 0.537 208 HE1 TRP 30 HE1 TRP 30 -13.929 13.893 1.527 209 HE3 TRP 30 HE3 TRP 30 -15.416 10.652 5.514 210 HZ2 TRP 30 HZ2 TRP 30 -13.503 15.021 4.069 211 HZ3 TRP 30 HZ3 TRP 30 -14.730 12.349 7.158 212 HH2 TRP 30 HH2 TRP 30 -13.794 14.489 6.450 213 H VAL 31 H VAL 31 -14.714 7.516 -0.122 214 HA VAL 31 HA VAL 31 -16.612 5.401 0.653 215 HB VAL 31 HB VAL 31 -14.682 5.276 -1.657 216 HG11 VAL 31 HG11 VAL 31 -15.584 3.151 -0.841 217 HG12 VAL 31 HG12 VAL 31 -17.223 3.755 -1.089 218 HG13 VAL 31 HG13 VAL 31 -16.151 3.523 -2.470 219 HG21 VAL 31 HG21 VAL 31 -17.536 6.248 -1.706 220 HG22 VAL 31 HG22 VAL 31 -16.089 7.196 -2.058 221 HG23 VAL 31 HG23 VAL 31 -16.565 5.879 -3.132 222 H THR 32 H THR 32 -15.858 3.945 2.047 223 HA THR 32 HA THR 32 -13.059 3.883 2.723 224 HB THR 32 HB THR 32 -15.215 1.981 3.656 225 HG1 THR 32 HG1 THR 32 -14.373 4.226 5.165 226 HG21 THR 32 HG21 THR 32 -13.746 1.686 5.583 227 HG22 THR 32 HG22 THR 32 -12.600 2.840 4.897 228 HG23 THR 32 HG23 THR 32 -12.889 1.301 4.090 229 H SER 33 H SER 33 -11.744 2.977 1.267 230 HA SER 33 HA SER 33 -12.601 0.488 -0.038 231 HB2 SER 33 HB2 SER 33 -10.443 2.367 -1.000 232 HB3 SER 33 HB3 SER 33 -11.247 1.080 -1.904 233 HG SER 33 HG SER 33 -12.727 2.467 -2.423 234 H GLU 34 H GLU 34 -11.037 -1.164 -0.358 235 HA GLU 34 HA GLU 34 -8.643 -1.010 1.327 236 HB2 GLU 34 HB2 GLU 34 -10.224 -3.539 1.396 237 HB3 GLU 34 HB3 GLU 34 -9.153 -2.857 2.611 238 HG2 GLU 34 HG2 GLU 34 -10.879 -1.155 3.104 239 HG3 GLU 34 HG3 GLU 34 -11.951 -1.962 1.966 240 H LEU 35 H LEU 35 -6.913 -1.911 0.370 241 HA LEU 35 HA LEU 35 -7.387 -3.765 -1.874 242 HB2 LEU 35 HB2 LEU 35 -6.547 -1.312 -2.393 243 HB3 LEU 35 HB3 LEU 35 -5.005 -1.955 -1.871 244 HG LEU 35 HG LEU 35 -6.652 -2.821 -4.243 245 HD11 LEU 35 HD11 LEU 35 -5.275 -0.858 -4.570 246 HD12 LEU 35 HD12 LEU 35 -3.863 -1.726 -3.969 247 HD13 LEU 35 HD13 LEU 35 -4.626 -2.225 -5.478 248 HD21 LEU 35 HD21 LEU 35 -4.141 -4.143 -3.203 249 HD22 LEU 35 HD22 LEU 35 -5.761 -4.839 -3.156 250 HD23 LEU 35 HD23 LEU 35 -4.979 -4.530 -4.706 251 H ASP 36 H ASP 36 -6.656 -5.654 -1.335 252 HA ASP 36 HA ASP 36 -4.924 -6.123 0.837 253 HB2 ASP 36 HB2 ASP 36 -5.855 -7.861 -1.449 254 HB3 ASP 36 HB3 ASP 36 -4.858 -8.449 -0.136 255 H LEU 37 H LEU 37 -2.897 -5.450 0.814 256 HA LEU 37 HA LEU 37 -1.318 -4.929 -1.442 257 HB2 LEU 37 HB2 LEU 37 -0.481 -5.629 1.366 258 HB3 LEU 37 HB3 LEU 37 0.571 -4.946 0.135 259 HG LEU 37 HG LEU 37 -1.802 -3.632 1.384 260 HD11 LEU 37 HD11 LEU 37 -0.149 -2.174 2.351 261 HD12 LEU 37 HD12 LEU 37 0.159 -3.861 2.776 262 HD13 LEU 37 HD13 LEU 37 1.130 -3.076 1.532 263 HD21 LEU 37 HD21 LEU 37 -1.620 -3.012 -0.959 264 HD22 LEU 37 HD22 LEU 37 -1.171 -1.663 0.087 265 HD23 LEU 37 HD23 LEU 37 0.081 -2.607 -0.726 266 H ASP 38 H ASP 38 -1.489 -7.637 0.762 267 HA ASP 38 HA ASP 38 0.591 -9.152 -0.380 268 HB2 ASP 38 HB2 ASP 38 0.059 -10.801 1.108 269 HB3 ASP 38 HB3 ASP 38 -0.737 -9.443 1.894 270 H THR 39 H THR 39 -2.276 -8.264 -1.772 271 HA THR 39 HA THR 39 -2.446 -10.768 -3.295 272 HB THR 39 HB THR 39 -4.505 -9.426 -2.224 273 HG1 THR 39 HG1 THR 39 -4.944 -11.368 -3.066 274 HG21 THR 39 HG21 THR 39 -4.375 -8.463 -5.080 275 HG22 THR 39 HG22 THR 39 -4.213 -7.453 -3.644 276 HG23 THR 39 HG23 THR 39 -5.742 -8.265 -3.984 277 H ILE 40 H ILE 40 -1.149 -7.665 -3.506 278 HA ILE 40 HA ILE 40 -0.618 -8.080 -6.354 279 HB ILE 40 HB ILE 40 -1.002 -5.610 -6.778 280 HG12 ILE 40 HG13 ILE 40 -2.975 -4.827 -5.179 281 HG13 ILE 40 3HG1 ILE 40 -2.146 -5.873 -4.037 282 HG21 ILE 40 HG21 ILE 40 -3.398 -5.899 -7.179 283 HG22 ILE 40 HG22 ILE 40 -2.477 -7.325 -7.658 284 HG23 ILE 40 HG23 ILE 40 -3.392 -7.333 -6.153 285 HD11 ILE 40 HD11 ILE 40 -0.954 -3.516 -5.472 286 HD12 ILE 40 HD12 ILE 40 -1.440 -3.584 -3.778 287 HD13 ILE 40 HD13 ILE 40 -0.101 -4.578 -4.351 288 H ILE 41 H ILE 41 0.753 -7.874 -3.560 289 HA ILE 41 HA ILE 41 3.028 -6.267 -4.533 290 HB ILE 41 HB ILE 41 2.013 -6.456 -1.695 291 HG12 ILE 41 HG13 ILE 41 1.889 -4.376 -3.825 292 HG13 ILE 41 3HG1 ILE 41 0.693 -4.821 -2.613 293 HG21 ILE 41 HG21 ILE 41 4.463 -6.481 -1.764 294 HG22 ILE 41 HG22 ILE 41 4.439 -4.992 -2.711 295 HG23 ILE 41 HG23 ILE 41 3.823 -4.994 -1.055 296 HD11 ILE 41 HD11 ILE 41 3.212 -3.272 -2.093 297 HD12 ILE 41 HD12 ILE 41 1.589 -2.591 -2.231 298 HD13 ILE 41 HD13 ILE 41 1.978 -3.684 -0.902 299 H GLY 42 H GLY 42 4.949 -7.313 -4.502 300 HA2 GLY 42 HA3 GLY 42 5.023 -9.892 -3.056 301 HA3 GLY 42 HA2 GLY 42 5.637 -9.734 -4.694 302 H ASN 43 H ASN 43 7.101 -10.659 -2.452 303 HA ASN 43 HA ASN 43 9.069 -8.494 -2.116 304 HB2 ASN 43 HB2 ASN 43 8.345 -9.147 0.053 305 HB3 ASN 43 HB3 ASN 43 8.396 -10.855 -0.359 306 HD21 ASN 43 HD21 ASN 43 9.697 -11.321 1.389 307 HD22 ASN 43 HD22 ASN 43 11.384 -10.909 1.429 308 H ASN 44 H ASN 44 10.544 -8.717 -3.656 309 HA ASN 44 HA ASN 44 11.385 -11.400 -4.448 310 HB2 ASN 44 HB2 ASN 44 10.906 -9.522 -6.130 311 HB3 ASN 44 HB3 ASN 44 12.423 -8.807 -5.592 312 HD21 ASN 44 HD21 ASN 44 13.449 -9.062 -7.556 313 HD22 ASN 44 HD22 ASN 44 13.904 -10.612 -8.189 314 H ASP 45 H ASP 45 12.377 -11.906 -2.477 315 HA ASP 45 HA ASP 45 13.960 -11.956 -0.850 316 HB2 ASP 45 HB2 ASP 45 16.223 -12.378 -1.712 317 HB3 ASP 45 HB3 ASP 45 14.989 -13.263 -2.594 318 H GLY 46 H GLY 46 13.065 -9.501 -0.598 319 HA2 GLY 46 HA3 GLY 46 13.964 -7.772 0.766 320 HA3 GLY 46 HA2 GLY 46 15.525 -8.024 0.004 321 H HIS 47 H HIS 47 12.481 -7.676 -1.725 322 HA HIS 47 HA HIS 47 12.852 -4.888 -2.282 323 HB2 HIS 47 HB2 HIS 47 14.570 -5.701 -3.778 324 HB3 HIS 47 HB3 HIS 47 13.482 -6.913 -4.442 325 HD1 HIS 47 HD1 HIS 47 13.341 -6.189 -6.817 326 HD2 HIS 47 HD2 HIS 47 12.694 -3.046 -4.171 327 HE1 HIS 47 HE1 HIS 47 12.568 -4.258 -8.234 328 HE2 HIS 47 HE2 HIS 47 12.057 -2.402 -6.601 329 H PHE 48 H PHE 48 10.871 -4.088 -2.457 330 HA PHE 48 HA PHE 48 8.585 -5.723 -2.710 331 HB2 PHE 48 HB2 PHE 48 8.978 -2.745 -2.874 332 HB3 PHE 48 HB3 PHE 48 7.398 -3.486 -3.106 333 HD1 PHE 48 HD2 PHE 48 6.782 -5.237 -1.187 334 HD2 PHE 48 HD1 PHE 48 9.484 -1.979 -0.786 335 HE1 PHE 48 HE2 PHE 48 6.437 -5.257 1.248 336 HE2 PHE 48 HE1 PHE 48 9.152 -1.998 1.653 337 HZ PHE 48 HZ PHE 48 7.625 -3.638 2.672 338 H GLN 49 H GLN 49 7.246 -6.151 -4.352 339 HA GLN 49 HA GLN 49 7.941 -5.143 -7.015 340 HB2 GLN 49 HB2 GLN 49 8.817 -7.304 -7.114 341 HB3 GLN 49 HB3 GLN 49 7.549 -7.969 -6.089 342 HG2 GLN 49 HG2 GLN 49 5.947 -7.779 -7.880 343 HG3 GLN 49 HG3 GLN 49 7.132 -6.987 -8.909 344 HE21 GLN 49 HE21 GLN 49 6.996 -8.538 -10.501 345 HE22 GLN 49 HE22 GLN 49 7.617 -10.138 -10.306 346 H TRP 50 H TRP 50 6.266 -4.057 -7.801 347 HA TRP 50 HA TRP 50 3.627 -4.388 -6.741 348 HB2 TRP 50 HB2 TRP 50 4.738 -2.813 -9.068 349 HB3 TRP 50 HB3 TRP 50 3.007 -2.894 -8.750 350 HD1 TRP 50 HD1 TRP 50 5.995 -0.896 -7.893 351 HE1 TRP 50 HE1 TRP 50 5.461 0.728 -5.955 352 HE3 TRP 50 HE3 TRP 50 1.554 -2.898 -6.349 353 HZ2 TRP 50 HZ2 TRP 50 3.445 1.091 -4.033 354 HZ3 TRP 50 HZ3 TRP 50 0.388 -1.860 -4.452 355 HH2 TRP 50 HH2 TRP 50 1.309 0.094 -3.321 356 H GLY 51 H GLY 51 2.423 -6.063 -7.183 357 HA2 GLY 51 HA3 GLY 51 1.065 -7.314 -8.698 358 HA3 GLY 51 HA2 GLY 51 2.285 -7.072 -9.943 359 H GLY 52 H GLY 52 3.118 -8.012 -6.678 360 HA2 GLY 52 HA3 GLY 52 4.153 -10.535 -7.764 361 HA3 GLY 52 HA2 GLY 52 4.672 -9.770 -6.270 362 H GLN 53 H GLN 53 2.481 -9.398 -4.835 363 HA GLN 53 HA GLN 53 0.888 -10.312 -3.520 364 HB2 GLN 53 HB2 GLN 53 -0.497 -10.971 -5.246 365 HB3 GLN 53 HB3 GLN 53 0.663 -12.126 -5.889 366 HG2 GLN 53 HG2 GLN 53 0.198 -13.649 -4.068 367 HG3 GLN 53 HG3 GLN 53 -0.875 -12.465 -3.324 368 HE21 GLN 53 HE21 GLN 53 -2.602 -13.901 -3.392 369 HE22 GLN 53 HE22 GLN 53 -3.432 -14.271 -4.867 370 H ASN 54 H ASN 54 0.812 -11.652 -1.776 371 HA ASN 54 HA ASN 54 1.443 -13.175 -0.220 372 HB2 ASN 54 HB2 ASN 54 2.823 -14.442 -2.577 373 HB3 ASN 54 HB3 ASN 54 3.016 -15.073 -0.946 374 HD21 ASN 54 HD21 ASN 54 1.761 -16.205 -3.374 375 HD22 ASN 54 HD22 ASN 54 0.161 -16.653 -2.895 376 H PHE 55 H PHE 55 2.873 -10.701 -0.766 377 HA PHE 55 HA PHE 55 5.662 -11.194 -0.313 378 HB2 PHE 55 HB2 PHE 55 5.983 -8.906 -0.486 379 HB3 PHE 55 HB3 PHE 55 4.503 -9.097 -1.412 380 HD1 PHE 55 HD2 PHE 55 2.311 -8.525 -0.323 381 HD2 PHE 55 HD1 PHE 55 6.072 -7.529 1.400 382 HE1 PHE 55 HE2 PHE 55 1.217 -6.827 1.077 383 HE2 PHE 55 HE1 PHE 55 4.982 -5.828 2.804 384 HZ PHE 55 HZ PHE 55 2.552 -5.476 2.644 385 H THR 56 H THR 56 2.873 -10.527 1.655 386 HA THR 56 HA THR 56 4.138 -9.786 4.035 387 HB THR 56 HB THR 56 1.993 -10.602 5.107 388 HG1 THR 56 HG1 THR 56 0.927 -11.984 3.899 389 HG21 THR 56 HG21 THR 56 1.938 -8.698 2.773 390 HG22 THR 56 HG22 THR 56 2.189 -8.306 4.474 391 HG23 THR 56 HG23 THR 56 0.613 -8.867 3.920 392 H GLU 57 H GLU 57 3.539 -12.923 2.619 393 HA GLU 57 HA GLU 57 4.000 -14.435 4.968 394 HB2 GLU 57 HB2 GLU 57 3.834 -16.313 3.636 395 HB3 GLU 57 HB3 GLU 57 2.977 -15.132 2.657 396 HG2 GLU 57 HG2 GLU 57 4.881 -14.849 1.238 397 HG3 GLU 57 HG3 GLU 57 5.857 -15.885 2.280 398 H THR 58 H THR 58 6.065 -12.613 3.030 399 HA THR 58 HA THR 58 8.419 -13.964 4.173 400 HB THR 58 HB THR 58 9.688 -13.324 2.161 401 HG1 THR 58 HG1 THR 58 7.356 -11.965 1.625 402 HG21 THR 58 HG21 THR 58 8.672 -14.926 0.597 403 HG22 THR 58 HG22 THR 58 7.184 -14.903 1.548 404 HG23 THR 58 HG23 THR 58 8.670 -15.549 2.248 405 H ALA 59 H ALA 59 6.590 -11.525 4.702 406 HA ALA 59 HA ALA 59 8.783 -9.625 5.128 407 HB1 ALA 59 HB1 ALA 59 5.970 -8.903 4.317 408 HB2 ALA 59 HB2 ALA 59 7.274 -7.772 4.677 409 HB3 ALA 59 HB3 ALA 59 7.390 -8.835 3.274 410 H GLU 60 H GLU 60 8.711 -8.457 6.997 411 HA GLU 60 HA GLU 60 6.581 -9.056 8.918 412 HB2 GLU 60 HB2 GLU 60 8.863 -8.955 10.483 413 HB3 GLU 60 HB3 GLU 60 7.951 -10.400 10.073 414 HG2 GLU 60 HG2 GLU 60 9.402 -10.910 8.276 415 HG3 GLU 60 HG3 GLU 60 10.198 -9.342 8.377 416 H ASP 61 H ASP 61 6.972 -7.626 10.933 417 HA ASP 61 HA ASP 61 6.768 -5.480 11.715 418 HB2 ASP 61 HB2 ASP 61 9.412 -6.062 11.198 419 HB3 ASP 61 HB3 ASP 61 9.179 -4.536 10.364 420 H ILE 62 H ILE 62 5.148 -5.656 9.619 421 HA ILE 62 HA ILE 62 5.819 -3.707 7.608 422 HB ILE 62 HB ILE 62 3.118 -4.993 7.943 423 HG12 ILE 62 HG13 ILE 62 5.683 -6.174 6.865 424 HG13 ILE 62 3HG1 ILE 62 4.609 -6.847 8.081 425 HG21 ILE 62 HG21 ILE 62 4.697 -4.028 5.555 426 HG22 ILE 62 HG22 ILE 62 3.114 -4.802 5.480 427 HG23 ILE 62 HG23 ILE 62 3.293 -3.237 6.274 428 HD11 ILE 62 HD11 ILE 62 4.413 -8.065 6.011 429 HD12 ILE 62 HD12 ILE 62 2.905 -7.213 6.356 430 HD13 ILE 62 HD13 ILE 62 4.020 -6.578 5.146 431 H ARG 63 H ARG 63 5.682 -1.635 8.030 432 HA ARG 63 HA ARG 63 3.319 -0.651 9.488 433 HB2 ARG 63 HB2 ARG 63 5.047 1.352 9.968 434 HB3 ARG 63 HB3 ARG 63 4.815 0.001 11.068 435 HG2 ARG 63 HG2 ARG 63 6.802 -0.596 9.054 436 HG3 ARG 63 HG3 ARG 63 7.203 0.858 9.972 437 HD2 ARG 63 HD2 ARG 63 8.041 -1.346 10.911 438 HD3 ARG 63 HD3 ARG 63 7.153 -0.303 12.028 439 HE ARG 63 HE ARG 63 5.715 -2.425 10.612 440 HH11 ARG 63 HH12 ARG 63 7.027 -1.173 13.592 441 HH12 ARG 63 HH11 ARG 63 6.081 -2.222 14.607 442 HH21 ARG 63 HH22 ARG 63 4.439 -3.785 11.921 443 HH22 ARG 63 HH21 ARG 63 4.594 -3.720 13.650 444 H PHE 64 H PHE 64 2.123 0.690 8.379 445 HA PHE 64 HA PHE 64 3.086 1.605 5.791 446 HB2 PHE 64 HB2 PHE 64 0.972 0.477 5.731 447 HB3 PHE 64 HB3 PHE 64 0.334 1.476 7.030 448 HD1 PHE 64 HD2 PHE 64 2.096 2.264 3.830 449 HD2 PHE 64 HD1 PHE 64 -1.351 2.785 6.263 450 HE1 PHE 64 HE2 PHE 64 1.185 3.854 2.191 451 HE2 PHE 64 HE1 PHE 64 -2.255 4.378 4.633 452 HZ PHE 64 HZ PHE 64 -1.000 4.907 2.590 453 H HIS 65 H HIS 65 3.397 3.661 5.234 454 HA HIS 65 HA HIS 65 2.780 5.756 7.224 455 HB2 HIS 65 HB2 HIS 65 5.275 5.057 6.777 456 HB3 HIS 65 HB3 HIS 65 5.077 5.987 5.299 457 HD1 HIS 65 HD1 HIS 65 6.948 7.583 6.299 458 HD2 HIS 65 HD2 HIS 65 3.337 7.521 8.365 459 HE1 HIS 65 HE1 HIS 65 7.022 9.553 7.862 460 HE2 HIS 65 HE2 HIS 65 4.749 9.609 8.951 461 HA PRO 66 HA PRO 66 0.368 6.604 3.365 462 HB2 PRO 66 HB2 PRO 66 -1.478 8.143 4.709 463 HB3 PRO 66 HB3 PRO 66 -1.615 6.412 4.441 464 HG2 PRO 66 HG2 PRO 66 -0.722 7.882 6.862 465 HG3 PRO 66 HG3 PRO 66 -1.691 6.403 6.735 466 HD2 PRO 66 HD2 PRO 66 0.937 6.375 7.397 467 HD3 PRO 66 HD3 PRO 66 0.176 5.059 6.479 468 H LYS 67 H LYS 67 1.007 8.867 5.922 469 HA LYS 67 HA LYS 67 1.577 10.905 3.870 470 HB2 LYS 67 HB2 LYS 67 0.559 11.375 6.687 471 HB3 LYS 67 HB3 LYS 67 0.939 12.625 5.512 472 HG2 LYS 67 HG2 LYS 67 -1.267 12.543 5.105 473 HG3 LYS 67 HG3 LYS 67 -0.822 11.166 4.099 474 HD2 LYS 67 HD2 LYS 67 -1.377 9.624 5.849 475 HD3 LYS 67 HD3 LYS 67 -1.659 10.950 6.983 476 HE2 LYS 67 HE2 LYS 67 -3.239 10.399 4.473 477 HE3 LYS 67 HE3 LYS 67 -3.763 10.049 6.118 478 HZ1 LYS 67 HZ1 LYS 67 -3.208 12.741 4.986 479 HZ2 LYS 67 HZ2 LYS 67 -3.621 12.439 6.600 480 HZ3 LYS 67 HZ3 LYS 67 -4.735 12.109 5.363 481 H GLU 68 H GLU 68 3.722 10.129 3.800 482 HA GLU 68 HA GLU 68 5.383 10.008 6.070 483 HB2 GLU 68 HB2 GLU 68 6.015 8.816 4.097 484 HB3 GLU 68 HB3 GLU 68 6.054 10.302 3.151 485 HG2 GLU 68 HG2 GLU 68 8.096 10.857 3.861 486 HG3 GLU 68 HG3 GLU 68 7.775 10.319 5.513 487 H GLY 69 H GLY 69 5.908 11.600 7.328 488 HA2 GLY 69 HA3 GLY 69 6.522 13.655 8.116 489 HA3 GLY 69 HA2 GLY 69 7.546 13.705 6.693 490 H ALA 70 H ALA 70 7.355 15.820 6.232 491 HA ALA 70 HA ALA 70 4.755 17.073 6.053 492 HB1 ALA 70 HB1 ALA 70 7.491 18.115 5.311 493 HB2 ALA 70 HB2 ALA 70 6.008 19.068 5.374 494 HB3 ALA 70 HB3 ALA 70 6.665 18.364 6.850 495 H ALA 71 H ALA 71 6.629 15.113 4.093 496 HA ALA 71 HA ALA 71 5.987 16.281 1.555 497 HB1 ALA 71 HB1 ALA 71 6.975 13.519 2.283 498 HB2 ALA 71 HB2 ALA 71 6.844 14.150 0.639 499 HB3 ALA 71 HB3 ALA 71 7.962 14.895 1.780 500 H GLU 72 H GLU 72 4.493 14.127 3.791 501 HA GLU 72 HA GLU 72 2.559 12.949 3.827 502 HB2 GLU 72 HB2 GLU 72 1.745 15.088 1.855 503 HB3 GLU 72 HB3 GLU 72 0.630 13.961 2.614 504 HG2 GLU 72 HG2 GLU 72 1.277 14.842 4.815 505 HG3 GLU 72 HG3 GLU 72 2.328 16.010 4.014 506 H GLN 73 H GLN 73 4.425 11.737 2.315 507 HA GLN 73 HA GLN 73 2.998 10.877 -0.100 508 HB2 GLN 73 HB2 GLN 73 5.611 11.675 0.175 509 HB3 GLN 73 HB3 GLN 73 5.749 9.922 0.240 510 HG2 GLN 73 HG2 GLN 73 6.020 10.607 -2.021 511 HG3 GLN 73 HG3 GLN 73 4.456 9.803 -1.879 512 HE21 GLN 73 HE21 GLN 73 3.573 10.809 -3.659 513 HE22 GLN 73 HE22 GLN 73 3.178 12.496 -3.685 514 HA PRO 74 HA PRO 74 2.157 7.143 2.173 515 HB2 PRO 74 HB2 PRO 74 0.905 5.813 0.177 516 HB3 PRO 74 HB3 PRO 74 0.131 7.108 1.097 517 HG2 PRO 74 HG2 PRO 74 1.420 7.218 -1.604 518 HG3 PRO 74 HG3 PRO 74 -0.095 7.960 -1.057 519 HD2 PRO 74 HD2 PRO 74 2.226 9.348 -1.263 520 HD3 PRO 74 HD3 PRO 74 0.990 9.731 -0.050 521 H ILE 75 H ILE 75 3.918 6.005 2.580 522 HA ILE 75 HA ILE 75 4.959 4.303 0.437 523 HB ILE 75 HB ILE 75 7.212 4.706 0.879 524 HG12 ILE 75 HG13 ILE 75 7.609 6.460 2.947 525 HG13 ILE 75 3HG1 ILE 75 6.284 5.473 3.559 526 HG21 ILE 75 HG21 ILE 75 6.275 6.585 -0.296 527 HG22 ILE 75 HG22 ILE 75 5.854 7.371 1.227 528 HG23 ILE 75 HG23 ILE 75 7.548 7.143 0.790 529 HD11 ILE 75 HD11 ILE 75 8.486 4.618 4.218 530 HD12 ILE 75 HD12 ILE 75 7.590 3.463 3.225 531 HD13 ILE 75 HD13 ILE 75 8.900 4.409 2.518 532 H LEU 76 H LEU 76 5.487 2.256 1.088 533 HA LEU 76 HA LEU 76 4.788 1.611 3.875 534 HB2 LEU 76 HB2 LEU 76 3.178 0.780 2.230 535 HB3 LEU 76 HB3 LEU 76 4.459 -0.029 1.359 536 HG LEU 76 HG LEU 76 2.856 -1.368 2.930 537 HD11 LEU 76 HD11 LEU 76 4.649 -2.995 3.369 538 HD12 LEU 76 HD12 LEU 76 4.698 -2.371 1.720 539 HD13 LEU 76 HD13 LEU 76 5.843 -1.776 2.922 540 HD21 LEU 76 HD21 LEU 76 3.241 0.035 4.899 541 HD22 LEU 76 HD22 LEU 76 3.681 -1.649 5.183 542 HD23 LEU 76 HD23 LEU 76 4.938 -0.446 4.895 543 H ARG 77 H ARG 77 6.344 0.771 5.093 544 HA ARG 77 HA ARG 77 8.625 -0.496 3.739 545 HB2 ARG 77 HB2 ARG 77 10.176 0.449 5.234 546 HB3 ARG 77 HB3 ARG 77 9.115 1.779 4.802 547 HG2 ARG 77 HG2 ARG 77 8.733 0.176 7.312 548 HG3 ARG 77 HG3 ARG 77 9.798 1.576 7.231 549 HD2 ARG 77 HD2 ARG 77 6.863 1.587 6.568 550 HD3 ARG 77 HD3 ARG 77 7.561 2.131 8.094 551 HE ARG 77 HE ARG 77 7.881 3.440 5.480 552 HH11 ARG 77 HH12 ARG 77 8.145 3.493 8.970 553 HH12 ARG 77 HH11 ARG 77 8.542 5.186 9.037 554 HH21 ARG 77 HH22 ARG 77 8.443 5.667 5.577 555 HH22 ARG 77 HH21 ARG 77 8.731 6.400 7.124 556 H ALA 78 H ALA 78 9.396 -2.345 4.606 557 HA ALA 78 HA ALA 78 8.528 -3.378 7.152 558 HB1 ALA 78 HB1 ALA 78 6.556 -3.892 5.825 559 HB2 ALA 78 HB2 ALA 78 7.555 -4.702 4.620 560 HB3 ALA 78 HB3 ALA 78 7.419 -5.371 6.246 561 H ARG 79 H ARG 79 9.429 -5.671 7.448 562 HA ARG 79 HA ARG 79 12.130 -5.684 6.373 563 HB2 ARG 79 HB2 ARG 79 11.087 -7.887 8.112 564 HB3 ARG 79 HB3 ARG 79 12.701 -7.202 8.044 565 HG2 ARG 79 HG2 ARG 79 10.265 -6.040 9.371 566 HG3 ARG 79 HG3 ARG 79 11.736 -6.644 10.137 567 HD2 ARG 79 HD2 ARG 79 13.016 -4.826 9.096 568 HD3 ARG 79 HD3 ARG 79 11.529 -4.231 8.347 569 HE ARG 79 HE ARG 79 10.802 -4.156 10.868 570 HH11 ARG 79 HH12 ARG 79 13.907 -3.193 9.542 571 HH12 ARG 79 HH11 ARG 79 14.149 -1.954 10.734 572 HH21 ARG 79 HH22 ARG 79 11.109 -2.551 12.390 573 HH22 ARG 79 HH21 ARG 79 12.566 -1.598 12.362 574 H LEU 80 H LEU 80 12.500 -6.621 4.485 575 HA LEU 80 HA LEU 80 10.696 -8.725 3.570 576 HB2 LEU 80 HB2 LEU 80 12.408 -6.690 2.277 577 HB3 LEU 80 HB3 LEU 80 12.258 -8.223 1.438 578 HG LEU 80 HG LEU 80 9.945 -7.957 1.130 579 HD11 LEU 80 HD11 LEU 80 8.606 -6.218 2.155 580 HD12 LEU 80 HD12 LEU 80 9.346 -7.269 3.366 581 HD13 LEU 80 HD13 LEU 80 10.016 -5.663 3.059 582 HD21 LEU 80 HD21 LEU 80 11.273 -5.291 0.785 583 HD22 LEU 80 HD22 LEU 80 11.181 -6.603 -0.394 584 HD23 LEU 80 HD23 LEU 80 9.719 -5.738 0.081 585 H ARG 81 H ARG 81 11.247 -10.745 3.677 586 HA ARG 81 HA ARG 81 13.889 -11.547 4.470 587 HB2 ARG 81 HB2 ARG 81 12.003 -12.690 5.416 588 HB3 ARG 81 HB3 ARG 81 11.364 -13.078 3.827 589 HG2 ARG 81 HG2 ARG 81 14.051 -14.125 4.340 590 HG3 ARG 81 HG3 ARG 81 12.796 -14.768 5.398 591 HD2 ARG 81 HD2 ARG 81 11.448 -15.152 3.260 592 HD3 ARG 81 HD3 ARG 81 12.968 -14.850 2.408 593 HE ARG 81 HE ARG 81 13.810 -16.857 3.184 594 HH11 ARG 81 HH12 ARG 81 10.674 -16.230 4.630 595 HH12 ARG 81 HH11 ARG 81 10.429 -17.887 5.113 596 HH21 ARG 81 HH22 ARG 81 13.496 -19.023 3.821 597 HH22 ARG 81 HH21 ARG 81 12.034 -19.468 4.659 598 H ASP 82 H ASP 82 15.404 -12.677 3.310 599 HA ASP 82 HA ASP 82 15.096 -12.523 0.401 600 HB2 ASP 82 HB2 ASP 82 17.414 -12.458 0.211 601 HB3 ASP 82 HB3 ASP 82 17.132 -11.573 1.705 602 H CYS 83 H CYS 83 16.527 -14.426 -0.690 603 HA CYS 83 HA CYS 83 14.972 -16.737 -0.310 604 HB2 CYS 83 HB2 CYS 83 16.195 -16.034 -2.416 605 HB3 CYS 83 HB3 CYS 83 17.662 -16.653 -1.673 606 HG CYS 83 HG CYS 83 15.432 -18.258 -3.405 607 H ASN 84 H ASN 84 17.839 -15.672 1.291 608 HA ASN 84 HA ASN 84 18.691 -18.303 2.138 609 HB2 ASN 84 HB2 ASN 84 20.313 -16.464 1.873 610 HB3 ASN 84 HB3 ASN 84 19.496 -15.564 3.144 611 HD21 ASN 84 HD21 ASN 84 21.203 -15.450 4.503 612 HD22 ASN 84 HD22 ASN 84 21.876 -16.825 5.317 613 H GLY 85 H GLY 85 16.621 -15.765 3.334 614 HA2 GLY 85 HA3 GLY 85 14.852 -16.428 4.872 615 HA3 GLY 85 HA2 GLY 85 16.011 -17.487 5.657 616 H GLU 86 H GLU 86 16.724 -14.176 4.689 617 HA GLU 86 HA GLU 86 17.040 -13.531 7.548 618 HB2 GLU 86 HB2 GLU 86 18.622 -11.847 6.940 619 HB3 GLU 86 HB3 GLU 86 19.051 -13.276 6.012 620 HG2 GLU 86 HG2 GLU 86 18.201 -12.365 4.016 621 HG3 GLU 86 HG3 GLU 86 17.341 -11.088 4.873 622 H PHE 87 H PHE 87 16.969 -10.759 7.345 623 HA PHE 87 HA PHE 87 14.457 -10.126 6.032 624 HB2 PHE 87 HB2 PHE 87 13.458 -9.139 8.028 625 HB3 PHE 87 HB3 PHE 87 13.792 -10.842 8.301 626 HD1 PHE 87 HD2 PHE 87 15.790 -11.480 9.689 627 HD2 PHE 87 HD1 PHE 87 14.366 -7.481 9.402 628 HE1 PHE 87 HE2 PHE 87 17.009 -10.904 11.745 629 HE2 PHE 87 HE1 PHE 87 15.581 -6.897 11.461 630 HZ PHE 87 HZ PHE 87 16.903 -8.609 12.634 631 H HIS 88 H HIS 88 14.537 -8.228 5.118 632 HA HIS 88 HA HIS 88 16.443 -6.215 6.089 633 HB2 HIS 88 HB2 HIS 88 16.840 -7.800 3.803 634 HB3 HIS 88 HB3 HIS 88 16.289 -6.244 3.194 635 HD1 HIS 88 HD1 HIS 88 19.174 -7.952 4.775 636 HD2 HIS 88 HD2 HIS 88 18.032 -4.075 3.762 637 HE1 HIS 88 HE1 HIS 88 21.267 -6.563 4.918 638 HE2 HIS 88 HE2 HIS 88 20.506 -4.188 4.511 639 H ASP 89 H ASP 89 15.204 -4.515 6.580 640 HA ASP 89 HA ASP 89 12.583 -4.209 5.575 641 HB2 ASP 89 HB2 ASP 89 12.595 -2.002 6.714 642 HB3 ASP 89 HB3 ASP 89 13.046 -3.348 7.751 643 H ARG 90 H ARG 90 11.899 -3.511 3.783 644 HA ARG 90 HA ARG 90 13.521 -1.578 2.258 645 HB2 ARG 90 HB2 ARG 90 11.612 -3.714 1.281 646 HB3 ARG 90 HB3 ARG 90 12.335 -2.486 0.249 647 HG2 ARG 90 HG2 ARG 90 13.790 -4.619 1.790 648 HG3 ARG 90 HG3 ARG 90 13.559 -4.542 0.041 649 HD2 ARG 90 HD2 ARG 90 14.827 -2.448 -0.026 650 HD3 ARG 90 HD3 ARG 90 15.074 -2.547 1.716 651 HE ARG 90 HE ARG 90 16.011 -4.914 0.527 652 HH11 ARG 90 HH12 ARG 90 16.760 -1.503 0.728 653 HH12 ARG 90 HH11 ARG 90 18.466 -1.723 0.468 654 HH21 ARG 90 HH22 ARG 90 18.295 -5.210 0.200 655 HH22 ARG 90 HH21 ARG 90 19.323 -3.808 0.173 656 H ASP 91 H ASP 91 11.938 -0.399 0.631 657 HA ASP 91 HA ASP 91 9.442 0.261 1.973 658 HB2 ASP 91 HB2 ASP 91 9.866 2.675 1.765 659 HB3 ASP 91 HB3 ASP 91 11.039 1.913 2.829 660 H VAL 92 H VAL 92 7.906 1.168 0.580 661 HA VAL 92 HA VAL 92 8.650 1.268 -2.244 662 HB VAL 92 HB VAL 92 7.842 -1.014 -1.792 663 HG11 VAL 92 HG11 VAL 92 5.479 -1.418 -1.306 664 HG12 VAL 92 HG12 VAL 92 6.279 -0.558 0.012 665 HG13 VAL 92 HG13 VAL 92 5.232 0.317 -1.104 666 HG21 VAL 92 HG21 VAL 92 6.216 -1.110 -3.619 667 HG22 VAL 92 HG22 VAL 92 6.080 0.647 -3.559 668 HG23 VAL 92 HG23 VAL 92 7.616 -0.102 -3.991 669 H ASN 93 H ASN 93 7.418 2.548 -3.497 670 HA ASN 93 HA ASN 93 5.999 4.653 -2.120 671 HB2 ASN 93 HB2 ASN 93 6.861 4.207 -4.970 672 HB3 ASN 93 HB3 ASN 93 5.806 5.540 -4.530 673 HD21 ASN 93 HD21 ASN 93 8.988 4.197 -4.270 674 HD22 ASN 93 HD22 ASN 93 9.761 5.614 -3.637 675 H LEU 94 H LEU 94 3.951 4.318 -1.555 676 HA LEU 94 HA LEU 94 2.285 2.494 -3.033 677 HB2 LEU 94 HB2 LEU 94 1.674 4.268 -0.674 678 HB3 LEU 94 HB3 LEU 94 0.524 3.156 -1.390 679 HG LEU 94 HG LEU 94 2.835 2.620 0.381 680 HD11 LEU 94 HD11 LEU 94 0.172 1.285 -0.057 681 HD12 LEU 94 HD12 LEU 94 1.327 0.890 1.217 682 HD13 LEU 94 HD13 LEU 94 0.554 2.476 1.187 683 HD21 LEU 94 HD21 LEU 94 1.974 0.649 -1.734 684 HD22 LEU 94 HD22 LEU 94 3.538 1.462 -1.655 685 HD23 LEU 94 HD23 LEU 94 3.072 0.320 -0.394 686 H ASN 95 H ASN 95 3.172 5.566 -3.662 687 HA ASN 95 HA ASN 95 0.813 6.892 -4.355 688 HB2 ASN 95 HB2 ASN 95 3.380 7.103 -5.933 689 HB3 ASN 95 HB3 ASN 95 2.129 8.328 -5.740 690 HD21 ASN 95 HD21 ASN 95 4.980 7.002 -4.541 691 HD22 ASN 95 HD22 ASN 95 5.150 7.981 -3.139 692 H ARG 96 H ARG 96 2.264 4.134 -5.714 693 HA ARG 96 HA ARG 96 1.414 4.321 -8.396 694 HB2 ARG 96 HB2 ARG 96 2.136 2.056 -6.569 695 HB3 ARG 96 HB3 ARG 96 1.401 1.702 -8.122 696 HG2 ARG 96 HG2 ARG 96 3.856 1.559 -8.142 697 HG3 ARG 96 HG3 ARG 96 3.218 2.735 -9.290 698 HD2 ARG 96 HD2 ARG 96 3.997 3.679 -6.573 699 HD3 ARG 96 HD3 ARG 96 5.274 3.292 -7.729 700 HE ARG 96 HE ARG 96 3.216 5.366 -8.065 701 HH11 ARG 96 HH12 ARG 96 6.282 3.933 -8.961 702 HH12 ARG 96 HH11 ARG 96 6.757 5.266 -9.972 703 HH21 ARG 96 HH22 ARG 96 3.841 7.133 -9.387 704 HH22 ARG 96 HH21 ARG 96 5.374 7.086 -10.206 705 H ILE 97 H ILE 97 -0.242 3.706 -5.447 706 HA ILE 97 HA ILE 97 -2.515 2.421 -6.669 707 HB ILE 97 HB ILE 97 -2.171 3.506 -3.869 708 HG12 ILE 97 HG13 ILE 97 -2.075 0.597 -4.529 709 HG13 ILE 97 3HG1 ILE 97 -0.658 1.572 -4.915 710 HG21 ILE 97 HG21 ILE 97 -4.181 1.566 -5.012 711 HG22 ILE 97 HG22 ILE 97 -4.030 2.006 -3.311 712 HG23 ILE 97 HG23 ILE 97 -4.511 3.220 -4.499 713 HD11 ILE 97 HD11 ILE 97 -0.457 2.247 -2.610 714 HD12 ILE 97 HD12 ILE 97 -1.929 1.362 -2.200 715 HD13 ILE 97 HD13 ILE 97 -0.495 0.487 -2.733 716 H GLN 98 H GLN 98 -4.179 3.409 -7.520 717 HA GLN 98 HA GLN 98 -4.571 6.273 -6.996 718 HB2 GLN 98 HB2 GLN 98 -5.032 4.653 -9.502 719 HB3 GLN 98 HB3 GLN 98 -5.569 6.311 -9.300 720 HG2 GLN 98 HG2 GLN 98 -3.323 7.095 -9.123 721 HG3 GLN 98 HG3 GLN 98 -2.704 5.446 -9.065 722 HE21 GLN 98 HE21 GLN 98 -4.087 7.922 -11.083 723 HE22 GLN 98 HE22 GLN 98 -3.656 7.201 -12.597 724 H ASN 99 H ASN 99 -6.827 6.985 -7.308 725 HA ASN 99 HA ASN 99 -8.707 4.971 -6.269 726 HB2 ASN 99 HB2 ASN 99 -8.646 6.612 -4.630 727 HB3 ASN 99 HB3 ASN 99 -8.370 7.912 -5.786 728 HD21 ASN 99 HD21 ASN 99 -10.083 8.985 -6.628 729 HD22 ASN 99 HD22 ASN 99 -11.722 8.695 -6.167 730 H VAL 100 H VAL 100 -10.132 4.274 -7.690 731 HA VAL 100 HA VAL 100 -10.939 6.074 -9.878 732 HB VAL 100 HB VAL 100 -10.993 3.050 -9.862 733 HG11 VAL 100 HG11 VAL 100 -11.475 3.274 -12.255 734 HG12 VAL 100 HG12 VAL 100 -12.728 4.019 -11.261 735 HG13 VAL 100 HG13 VAL 100 -11.532 5.027 -12.073 736 HG21 VAL 100 HG21 VAL 100 -9.149 3.222 -11.496 737 HG22 VAL 100 HG22 VAL 100 -9.092 4.963 -11.212 738 HG23 VAL 100 HG23 VAL 100 -8.709 3.844 -9.904 739 H ASN 101 H ASN 101 -12.671 7.045 -8.925 740 HA ASN 101 HA ASN 101 -14.781 7.359 -8.193 741 HB2 ASN 101 HB2 ASN 101 -15.192 6.094 -10.347 742 HB3 ASN 101 HB3 ASN 101 -15.405 4.653 -9.355 743 HD21 ASN 101 HD21 ASN 101 -17.546 4.475 -10.102 744 HD22 ASN 101 HD22 ASN 101 -18.801 5.500 -9.479 745 H GLY 102 H GLY 102 -12.866 5.896 -6.463 746 HA2 GLY 102 HA3 GLY 102 -13.362 5.588 -4.127 747 HA3 GLY 102 HA2 GLY 102 -14.903 4.890 -4.593 748 H ARG 103 H ARG 103 -12.054 3.915 -6.312 749 HA ARG 103 HA ARG 103 -11.906 1.498 -4.665 750 HB2 ARG 103 HB2 ARG 103 -11.934 0.048 -6.527 751 HB3 ARG 103 HB3 ARG 103 -13.260 1.174 -6.783 752 HG2 ARG 103 HG2 ARG 103 -11.691 2.479 -8.275 753 HG3 ARG 103 HG3 ARG 103 -10.603 1.091 -8.179 754 HD2 ARG 103 HD2 ARG 103 -11.998 0.967 -10.174 755 HD3 ARG 103 HD3 ARG 103 -12.369 -0.352 -9.064 756 HE ARG 103 HE ARG 103 -14.049 1.961 -8.729 757 HH11 ARG 103 HH12 ARG 103 -13.615 -1.004 -10.538 758 HH12 ARG 103 HH11 ARG 103 -15.315 -1.221 -10.835 759 HH21 ARG 103 HH22 ARG 103 -16.271 1.703 -9.129 760 HH22 ARG 103 HH21 ARG 103 -16.829 0.337 -10.056 761 H LEU 104 H LEU 104 -9.916 0.804 -4.204 762 HA LEU 104 HA LEU 104 -7.676 2.447 -5.039 763 HB2 LEU 104 HB2 LEU 104 -8.310 0.640 -2.841 764 HB3 LEU 104 HB3 LEU 104 -6.697 0.376 -3.471 765 HG LEU 104 HG LEU 104 -6.037 2.612 -2.964 766 HD11 LEU 104 HD11 LEU 104 -8.062 3.772 -3.632 767 HD12 LEU 104 HD12 LEU 104 -8.914 3.126 -2.228 768 HD13 LEU 104 HD13 LEU 104 -7.576 4.254 -2.006 769 HD21 LEU 104 HD21 LEU 104 -6.351 2.676 -0.551 770 HD22 LEU 104 HD22 LEU 104 -7.673 1.515 -0.679 771 HD23 LEU 104 HD23 LEU 104 -6.030 1.032 -1.099 772 H VAL 105 H VAL 105 -6.366 1.953 -6.664 773 HA VAL 105 HA VAL 105 -6.005 -0.869 -7.386 774 HB VAL 105 HB VAL 105 -7.686 0.013 -8.930 775 HG11 VAL 105 HG11 VAL 105 -7.136 2.371 -8.843 776 HG12 VAL 105 HG12 VAL 105 -5.610 2.068 -9.671 777 HG13 VAL 105 HG13 VAL 105 -7.137 1.805 -10.513 778 HG21 VAL 105 HG21 VAL 105 -6.555 -0.513 -11.048 779 HG22 VAL 105 HG22 VAL 105 -4.996 -0.395 -10.232 780 HG23 VAL 105 HG23 VAL 105 -6.141 -1.656 -9.771 781 H PHE 106 H PHE 106 -3.942 -1.406 -7.755 782 HA PHE 106 HA PHE 106 -1.901 0.619 -7.463 783 HB2 PHE 106 HB2 PHE 106 -0.374 -1.153 -7.152 784 HB3 PHE 106 HB3 PHE 106 -1.866 -1.746 -6.431 785 HD1 PHE 106 HD1 PHE 106 -3.416 -3.087 -8.138 786 HD2 PHE 106 HD2 PHE 106 0.791 -2.562 -8.526 787 HE1 PHE 106 HE1 PHE 106 -3.299 -5.078 -9.581 788 HE2 PHE 106 HE2 PHE 106 0.911 -4.548 -9.969 789 HZ PHE 106 HZ PHE 106 -1.136 -5.807 -10.500 790 H GLN 107 H GLN 107 -0.324 1.157 -9.020 791 HA GLN 107 HA GLN 107 -1.141 0.533 -11.770 792 HB2 GLN 107 HB2 GLN 107 -1.034 2.944 -11.020 793 HB3 GLN 107 HB3 GLN 107 0.706 2.747 -10.861 794 HG2 GLN 107 HG2 GLN 107 0.236 3.788 -12.956 795 HG3 GLN 107 HG3 GLN 107 0.817 2.153 -13.257 796 HE21 GLN 107 HE21 GLN 107 -2.415 2.971 -12.161 797 HE22 GLN 107 HE22 GLN 107 -3.233 2.455 -13.600 Start of MODEL 10 1 H MET 1 H MET 1 -3.058 13.547 -7.216 2 HA MET 1 HA MET 1 -0.157 13.218 -7.607 3 HB2 MET 1 HB2 MET 1 -0.415 14.380 -5.498 4 HB3 MET 1 HB3 MET 1 -1.697 13.288 -5.001 5 HG2 MET 1 HG2 MET 1 0.424 12.818 -3.877 6 HG3 MET 1 HG3 MET 1 -0.138 11.457 -4.847 7 HE1 MET 1 HE1 MET 1 2.470 14.365 -4.501 8 HE2 MET 1 HE2 MET 1 3.317 14.281 -6.047 9 HE3 MET 1 HE3 MET 1 1.630 14.796 -5.993 10 H SER 2 H SER 2 -2.390 11.585 -5.451 11 HA SER 2 HA SER 2 -2.732 9.304 -7.189 12 HB2 SER 2 HB2 SER 2 -1.228 9.031 -4.565 13 HB3 SER 2 HB3 SER 2 -1.702 7.708 -5.630 14 HG SER 2 HG SER 2 0.070 8.037 -6.676 15 H TYR 3 H TYR 3 -3.601 7.488 -5.201 16 HA TYR 3 HA TYR 3 -6.181 8.390 -4.677 17 HB2 TYR 3 HB2 TYR 3 -6.518 6.405 -3.477 18 HB3 TYR 3 HB3 TYR 3 -5.223 5.987 -4.589 19 HD1 TYR 3 HD1 TYR 3 -2.802 6.098 -3.660 20 HD2 TYR 3 HD2 TYR 3 -6.265 6.063 -1.195 21 HE1 TYR 3 HE1 TYR 3 -1.431 5.363 -1.752 22 HE2 TYR 3 HE2 TYR 3 -4.914 5.342 0.722 23 HH TYR 3 HH TYR 3 -2.751 4.145 1.098 24 H ALA 4 H ALA 4 -3.274 8.578 -2.724 25 HA ALA 4 HA ALA 4 -4.305 9.334 -0.269 26 HB1 ALA 4 HB1 ALA 4 -1.972 8.709 -0.652 27 HB2 ALA 4 HB2 ALA 4 -1.708 10.237 -1.493 28 HB3 ALA 4 HB3 ALA 4 -2.114 10.233 0.223 29 H ASP 5 H ASP 5 -4.047 11.213 -3.173 30 HA ASP 5 HA ASP 5 -4.024 13.810 -2.171 31 HB2 ASP 5 HB2 ASP 5 -3.773 13.393 -4.531 32 HB3 ASP 5 HB3 ASP 5 -5.375 12.671 -4.623 33 H SER 6 H SER 6 -6.636 11.493 -2.402 34 HA SER 6 HA SER 6 -8.347 13.373 -0.921 35 HB2 SER 6 HB2 SER 6 -9.249 11.612 -3.212 36 HB3 SER 6 HB3 SER 6 -10.303 12.614 -2.218 37 HG SER 6 HG SER 6 -8.109 13.792 -3.545 38 H SER 7 H SER 7 -6.699 11.200 0.047 39 HA SER 7 HA SER 7 -8.801 9.379 1.022 40 HB2 SER 7 HB2 SER 7 -5.882 8.785 0.531 41 HB3 SER 7 HB3 SER 7 -6.998 7.689 1.349 42 HG SER 7 HG SER 7 -7.138 8.634 -1.319 43 H ARG 8 H ARG 8 -8.568 8.574 3.157 44 HA ARG 8 HA ARG 8 -6.708 9.858 4.968 45 HB2 ARG 8 HB2 ARG 8 -8.313 10.910 6.360 46 HB3 ARG 8 HB3 ARG 8 -8.732 11.410 4.728 47 HG2 ARG 8 HG2 ARG 8 -10.208 9.113 5.086 48 HG3 ARG 8 HG3 ARG 8 -10.268 9.895 6.667 49 HD2 ARG 8 HD2 ARG 8 -12.114 10.651 5.302 50 HD3 ARG 8 HD3 ARG 8 -10.987 11.978 5.582 51 HE ARG 8 HE ARG 8 -11.129 10.433 3.075 52 HH11 ARG 8 HH12 ARG 8 -10.495 13.394 4.837 53 HH12 ARG 8 HH11 ARG 8 -10.260 14.357 3.407 54 HH21 ARG 8 HH22 ARG 8 -10.783 11.693 1.178 55 HH22 ARG 8 HH21 ARG 8 -10.412 13.387 1.323 56 H ASN 9 H ASN 9 -7.166 8.988 7.242 57 HA ASN 9 HA ASN 9 -7.163 7.172 8.601 58 HB2 ASN 9 HB2 ASN 9 -9.735 6.871 7.079 59 HB3 ASN 9 HB3 ASN 9 -9.261 5.672 8.284 60 HD21 ASN 9 HD21 ASN 9 -9.212 6.243 10.445 61 HD22 ASN 9 HD22 ASN 9 -9.950 7.693 11.041 62 H ALA 10 H ALA 10 -5.639 6.962 6.219 63 HA ALA 10 HA ALA 10 -5.944 4.311 5.164 64 HB1 ALA 10 HB1 ALA 10 -5.032 6.271 3.882 65 HB2 ALA 10 HB2 ALA 10 -3.575 6.152 4.866 66 HB3 ALA 10 HB3 ALA 10 -4.043 4.816 3.812 67 H VAL 11 H VAL 11 -5.420 2.586 6.295 68 HA VAL 11 HA VAL 11 -2.936 2.545 7.841 69 HB VAL 11 HB VAL 11 -5.531 1.543 9.041 70 HG11 VAL 11 HG11 VAL 11 -2.815 1.974 10.277 71 HG12 VAL 11 HG12 VAL 11 -4.253 1.381 11.108 72 HG13 VAL 11 HG13 VAL 11 -3.512 0.417 9.829 73 HG21 VAL 11 HG21 VAL 11 -4.088 4.113 9.679 74 HG22 VAL 11 HG22 VAL 11 -5.668 3.964 8.910 75 HG23 VAL 11 HG23 VAL 11 -5.450 3.449 10.583 76 H LEU 12 H LEU 12 -2.218 0.353 8.273 77 HA LEU 12 HA LEU 12 -3.127 -1.497 6.220 78 HB2 LEU 12 HB2 LEU 12 -0.625 -0.921 7.455 79 HB3 LEU 12 HB3 LEU 12 -1.026 -2.594 7.789 80 HG LEU 12 HG LEU 12 -1.128 -3.137 5.478 81 HD11 LEU 12 HD11 LEU 12 -2.287 -1.168 4.660 82 HD12 LEU 12 HD12 LEU 12 -0.846 -0.186 4.926 83 HD13 LEU 12 HD13 LEU 12 -0.832 -1.467 3.712 84 HD21 LEU 12 HD21 LEU 12 1.109 -3.026 6.389 85 HD22 LEU 12 HD22 LEU 12 1.116 -2.505 4.704 86 HD23 LEU 12 HD23 LEU 12 1.209 -1.308 5.999 87 H THR 13 H THR 13 -3.984 -3.490 6.638 88 HA THR 13 HA THR 13 -4.640 -4.111 9.438 89 HB THR 13 HB THR 13 -6.434 -4.672 7.065 90 HG1 THR 13 HG1 THR 13 -6.366 -2.418 8.820 91 HG21 THR 13 HG21 THR 13 -8.169 -4.922 8.776 92 HG22 THR 13 HG22 THR 13 -6.988 -4.561 10.037 93 HG23 THR 13 HG23 THR 13 -6.829 -6.030 9.073 94 H ASN 14 H ASN 14 -5.176 -6.448 9.734 95 HA ASN 14 HA ASN 14 -4.808 -8.678 9.510 96 HB2 ASN 14 HB2 ASN 14 -5.288 -7.894 6.957 97 HB3 ASN 14 HB3 ASN 14 -3.661 -8.546 6.796 98 HD21 ASN 14 HD21 ASN 14 -6.018 -9.627 5.626 99 HD22 ASN 14 HD22 ASN 14 -6.252 -11.212 6.286 100 H GLY 15 H GLY 15 -2.582 -6.433 9.769 101 HA2 GLY 15 HA3 GLY 15 -0.456 -6.753 10.742 102 HA3 GLY 15 HA2 GLY 15 -0.420 -8.383 10.079 103 H GLY 16 H GLY 16 -1.374 -5.709 8.115 104 HA2 GLY 16 HA3 GLY 16 -0.065 -4.418 6.630 105 HA3 GLY 16 HA2 GLY 16 1.292 -5.493 6.927 106 H ARG 17 H ARG 17 -1.874 -6.729 6.245 107 HA ARG 17 HA ARG 17 -0.873 -7.678 3.647 108 HB2 ARG 17 HB2 ARG 17 -3.165 -8.947 5.114 109 HB3 ARG 17 HB3 ARG 17 -2.096 -9.656 3.915 110 HG2 ARG 17 HG2 ARG 17 -0.254 -9.425 5.666 111 HG3 ARG 17 HG3 ARG 17 -1.554 -9.106 6.808 112 HD2 ARG 17 HD2 ARG 17 -0.920 -11.464 6.822 113 HD3 ARG 17 HD3 ARG 17 -2.580 -11.244 6.272 114 HE ARG 17 HE ARG 17 -0.569 -11.409 4.181 115 HH11 ARG 17 HH12 ARG 17 -2.864 -13.173 6.160 116 HH12 ARG 17 HH11 ARG 17 -3.060 -14.461 5.001 117 HH21 ARG 17 HH22 ARG 17 -0.837 -13.099 2.664 118 HH22 ARG 17 HH21 ARG 17 -1.921 -14.407 3.010 119 H THR 18 H THR 18 -3.193 -5.743 5.209 120 HA THR 18 HA THR 18 -4.703 -5.527 2.694 121 HB THR 18 HB THR 18 -5.891 -5.356 5.470 122 HG1 THR 18 HG1 THR 18 -6.003 -7.410 3.472 123 HG21 THR 18 HG21 THR 18 -7.032 -3.935 3.835 124 HG22 THR 18 HG22 THR 18 -8.043 -5.308 4.290 125 HG23 THR 18 HG23 THR 18 -7.195 -5.312 2.744 126 H LEU 19 H LEU 19 -4.734 -3.558 1.895 127 HA LEU 19 HA LEU 19 -3.920 -1.291 3.535 128 HB2 LEU 19 HB2 LEU 19 -2.770 -1.469 1.456 129 HB3 LEU 19 HB3 LEU 19 -4.265 -1.702 0.572 130 HG LEU 19 HG LEU 19 -4.904 0.638 1.109 131 HD11 LEU 19 HD11 LEU 19 -3.608 0.973 3.129 132 HD12 LEU 19 HD12 LEU 19 -2.106 0.785 2.222 133 HD13 LEU 19 HD13 LEU 19 -3.155 2.168 1.913 134 HD21 LEU 19 HD21 LEU 19 -3.348 1.660 -0.474 135 HD22 LEU 19 HD22 LEU 19 -2.272 0.270 -0.305 136 HD23 LEU 19 HD23 LEU 19 -3.873 0.063 -1.013 137 H ARG 20 H ARG 20 -5.557 -0.416 4.622 138 HA ARG 20 HA ARG 20 -8.168 -0.140 3.306 139 HB2 ARG 20 HB2 ARG 20 -7.679 -1.306 5.645 140 HB3 ARG 20 HB3 ARG 20 -7.748 0.351 6.225 141 HG2 ARG 20 HG2 ARG 20 -9.929 -1.070 4.716 142 HG3 ARG 20 HG3 ARG 20 -9.885 -0.807 6.460 143 HD2 ARG 20 HD2 ARG 20 -10.023 1.300 4.313 144 HD3 ARG 20 HD3 ARG 20 -11.321 0.827 5.409 145 HE ARG 20 HE ARG 20 -8.835 2.182 6.245 146 HH11 ARG 20 HH12 ARG 20 -12.210 1.399 6.719 147 HH12 ARG 20 HH11 ARG 20 -12.454 2.624 7.929 148 HH21 ARG 20 HH22 ARG 20 -9.137 3.780 7.846 149 HH22 ARG 20 HH21 ARG 20 -10.704 3.971 8.582 150 H ALA 21 H ALA 21 -8.770 1.858 2.656 151 HA ALA 21 HA ALA 21 -7.901 4.204 4.145 152 HB1 ALA 21 HB1 ALA 21 -6.087 3.868 2.534 153 HB2 ALA 21 HB2 ALA 21 -7.255 3.895 1.213 154 HB3 ALA 21 HB3 ALA 21 -6.992 5.342 2.188 155 H GLU 22 H GLU 22 -9.211 6.031 3.801 156 HA GLU 22 HA GLU 22 -11.705 5.429 2.360 157 HB2 GLU 22 HB2 GLU 22 -11.333 7.720 4.280 158 HB3 GLU 22 HB3 GLU 22 -12.828 6.929 3.787 159 HG2 GLU 22 HG2 GLU 22 -11.817 4.846 4.939 160 HG3 GLU 22 HG3 GLU 22 -10.745 6.011 5.721 161 H CYS 23 H CYS 23 -11.683 6.183 0.365 162 HA CYS 23 HA CYS 23 -10.449 8.809 -0.148 163 HB2 CYS 23 HB2 CYS 23 -10.206 7.871 -2.522 164 HB3 CYS 23 HB3 CYS 23 -9.129 7.222 -1.289 165 HG CYS 23 HG CYS 23 -11.026 5.591 -3.312 166 H ARG 24 H ARG 24 -11.539 10.215 -1.557 167 HA ARG 24 HA ARG 24 -14.386 9.810 -1.643 168 HB2 ARG 24 HB2 ARG 24 -14.319 12.032 -1.429 169 HB3 ARG 24 HB3 ARG 24 -12.599 12.068 -1.786 170 HG2 ARG 24 HG2 ARG 24 -14.617 11.878 -3.988 171 HG3 ARG 24 HG3 ARG 24 -14.222 13.429 -3.247 172 HD2 ARG 24 HD2 ARG 24 -12.083 13.435 -4.077 173 HD3 ARG 24 HD3 ARG 24 -11.991 11.676 -4.153 174 HE ARG 24 HE ARG 24 -13.804 12.123 -6.023 175 HH11 ARG 24 HH12 ARG 24 -10.775 13.772 -5.388 176 HH12 ARG 24 HH11 ARG 24 -10.511 14.219 -7.045 177 HH21 ARG 24 HH22 ARG 24 -13.456 12.733 -8.229 178 HH22 ARG 24 HH21 ARG 24 -12.033 13.629 -8.647 179 H ASN 25 H ASN 25 -15.648 9.489 -3.441 180 HA ASN 25 HA ASN 25 -14.266 8.310 -5.715 181 HB2 ASN 25 HB2 ASN 25 -16.546 7.591 -6.402 182 HB3 ASN 25 HB3 ASN 25 -16.072 7.046 -4.804 183 HD21 ASN 25 HD21 ASN 25 -18.292 6.702 -4.363 184 HD22 ASN 25 HD22 ASN 25 -19.334 8.028 -3.955 185 H ALA 26 H ALA 26 -15.795 8.681 -7.858 186 HA ALA 26 HA ALA 26 -15.134 11.250 -8.766 187 HB1 ALA 26 HB1 ALA 26 -17.161 9.335 -9.919 188 HB2 ALA 26 HB2 ALA 26 -16.419 10.698 -10.758 189 HB3 ALA 26 HB3 ALA 26 -15.429 9.330 -10.254 190 H ASP 27 H ASP 27 -17.983 10.023 -7.202 191 HA ASP 27 HA ASP 27 -19.755 12.140 -7.883 192 HB2 ASP 27 HB2 ASP 27 -20.561 9.951 -7.113 193 HB3 ASP 27 HB3 ASP 27 -19.806 10.212 -5.549 194 H GLY 28 H GLY 28 -17.249 11.762 -5.543 195 HA2 GLY 28 HA3 GLY 28 -16.271 13.683 -4.492 196 HA3 GLY 28 HA2 GLY 28 -17.857 14.448 -4.506 197 H ASN 29 H ASN 29 -18.188 11.257 -3.683 198 HA ASN 29 HA ASN 29 -18.567 11.936 -0.859 199 HB2 ASN 29 HB2 ASN 29 -19.788 10.085 -2.746 200 HB3 ASN 29 HB3 ASN 29 -19.370 9.302 -1.225 201 HD21 ASN 29 HD21 ASN 29 -21.411 11.569 -2.827 202 HD22 ASN 29 HD22 ASN 29 -22.455 11.902 -1.483 203 H TRP 30 H TRP 30 -17.681 10.696 0.818 204 HA TRP 30 HA TRP 30 -15.098 9.575 0.202 205 HB2 TRP 30 HB2 TRP 30 -16.556 9.943 2.824 206 HB3 TRP 30 HB3 TRP 30 -14.930 9.282 2.685 207 HD1 TRP 30 HD1 TRP 30 -14.602 11.701 0.193 208 HE1 TRP 30 HE1 TRP 30 -13.802 13.984 1.058 209 HE3 TRP 30 HE3 TRP 30 -15.639 11.091 5.163 210 HZ2 TRP 30 HZ2 TRP 30 -13.618 15.342 3.521 211 HZ3 TRP 30 HZ3 TRP 30 -15.117 12.933 6.709 212 HH2 TRP 30 HH2 TRP 30 -14.128 15.015 5.902 213 H VAL 31 H VAL 31 -14.965 7.597 -0.510 214 HA VAL 31 HA VAL 31 -16.804 5.563 0.552 215 HB VAL 31 HB VAL 31 -17.261 5.642 -1.743 216 HG11 VAL 31 HG11 VAL 31 -14.322 5.945 -2.218 217 HG12 VAL 31 HG12 VAL 31 -15.529 5.730 -3.488 218 HG13 VAL 31 HG13 VAL 31 -15.586 7.157 -2.452 219 HG21 VAL 31 HG21 VAL 31 -16.823 3.355 -1.054 220 HG22 VAL 31 HG22 VAL 31 -16.334 3.604 -2.730 221 HG23 VAL 31 HG23 VAL 31 -15.116 3.550 -1.455 222 H THR 32 H THR 32 -15.920 4.110 1.828 223 HA THR 32 HA THR 32 -13.092 4.019 2.243 224 HB THR 32 HB THR 32 -15.175 2.100 3.298 225 HG1 THR 32 HG1 THR 32 -14.280 4.343 4.765 226 HG21 THR 32 HG21 THR 32 -12.844 1.419 3.625 227 HG22 THR 32 HG22 THR 32 -13.609 1.843 5.158 228 HG23 THR 32 HG23 THR 32 -12.497 2.974 4.385 229 H SER 33 H SER 33 -11.746 2.979 0.920 230 HA SER 33 HA SER 33 -12.713 0.544 -0.424 231 HB2 SER 33 HB2 SER 33 -11.947 2.665 -1.768 232 HB3 SER 33 HB3 SER 33 -10.327 2.088 -1.385 233 HG SER 33 HG SER 33 -12.288 0.971 -3.027 234 H GLU 34 H GLU 34 -11.285 -1.226 -0.545 235 HA GLU 34 HA GLU 34 -8.952 -1.140 1.233 236 HB2 GLU 34 HB2 GLU 34 -10.755 -3.536 1.293 237 HB3 GLU 34 HB3 GLU 34 -9.619 -2.966 2.509 238 HG2 GLU 34 HG2 GLU 34 -11.167 -1.042 2.916 239 HG3 GLU 34 HG3 GLU 34 -12.328 -1.836 1.856 240 H LEU 35 H LEU 35 -7.236 -2.151 0.403 241 HA LEU 35 HA LEU 35 -7.668 -4.071 -1.781 242 HB2 LEU 35 HB2 LEU 35 -6.972 -2.142 -2.932 243 HB3 LEU 35 HB3 LEU 35 -5.789 -1.728 -1.707 244 HG LEU 35 HG LEU 35 -4.355 -3.565 -2.417 245 HD11 LEU 35 HD11 LEU 35 -4.876 -4.934 -4.352 246 HD12 LEU 35 HD12 LEU 35 -6.102 -5.145 -3.105 247 HD13 LEU 35 HD13 LEU 35 -6.444 -4.142 -4.516 248 HD21 LEU 35 HD21 LEU 35 -3.751 -2.731 -4.625 249 HD22 LEU 35 HD22 LEU 35 -5.299 -1.895 -4.742 250 HD23 LEU 35 HD23 LEU 35 -4.121 -1.404 -3.524 251 H ASP 36 H ASP 36 -6.895 -5.960 -1.271 252 HA ASP 36 HA ASP 36 -5.170 -6.372 0.936 253 HB2 ASP 36 HB2 ASP 36 -6.433 -8.069 -1.140 254 HB3 ASP 36 HB3 ASP 36 -4.976 -8.706 -0.391 255 H LEU 37 H LEU 37 -3.144 -5.751 0.925 256 HA LEU 37 HA LEU 37 -1.573 -5.231 -1.349 257 HB2 LEU 37 HB2 LEU 37 -0.692 -5.898 1.457 258 HB3 LEU 37 HB3 LEU 37 0.294 -5.131 0.217 259 HG LEU 37 HG LEU 37 -2.250 -3.923 1.184 260 HD11 LEU 37 HD11 LEU 37 -1.009 -2.689 2.785 261 HD12 LEU 37 HD12 LEU 37 -0.744 -4.417 3.034 262 HD13 LEU 37 HD13 LEU 37 0.496 -3.442 2.247 263 HD21 LEU 37 HD21 LEU 37 -1.320 -1.885 0.306 264 HD22 LEU 37 HD22 LEU 37 0.190 -2.710 -0.086 265 HD23 LEU 37 HD23 LEU 37 -1.291 -3.127 -0.949 266 H ASP 38 H ASP 38 -1.892 -7.971 0.790 267 HA ASP 38 HA ASP 38 0.195 -9.516 -0.300 268 HB2 ASP 38 HB2 ASP 38 -0.403 -11.093 1.188 269 HB3 ASP 38 HB3 ASP 38 -1.474 -9.854 1.829 270 H THR 39 H THR 39 -2.573 -8.437 -1.789 271 HA THR 39 HA THR 39 -2.739 -10.854 -3.459 272 HB THR 39 HB THR 39 -4.777 -9.429 -2.376 273 HG1 THR 39 HG1 THR 39 -5.085 -11.442 -3.266 274 HG21 THR 39 HG21 THR 39 -5.927 -8.221 -4.151 275 HG22 THR 39 HG22 THR 39 -4.566 -8.501 -5.237 276 HG23 THR 39 HG23 THR 39 -4.360 -7.484 -3.811 277 H ILE 40 H ILE 40 -1.405 -7.711 -3.454 278 HA ILE 40 HA ILE 40 -0.778 -8.001 -6.302 279 HB ILE 40 HB ILE 40 -1.123 -5.505 -6.603 280 HG12 ILE 40 HG13 ILE 40 -3.132 -4.802 -5.001 281 HG13 ILE 40 3HG1 ILE 40 -2.320 -5.914 -3.909 282 HG21 ILE 40 HG21 ILE 40 -3.522 -7.270 -6.146 283 HG22 ILE 40 HG22 ILE 40 -3.538 -5.749 -7.039 284 HG23 ILE 40 HG23 ILE 40 -2.595 -7.114 -7.636 285 HD11 ILE 40 HD11 ILE 40 -0.279 -4.615 -4.080 286 HD12 ILE 40 HD12 ILE 40 -1.074 -3.502 -5.195 287 HD13 ILE 40 HD13 ILE 40 -1.630 -3.623 -3.525 288 H ILE 41 H ILE 41 0.531 -7.888 -3.429 289 HA ILE 41 HA ILE 41 2.846 -6.296 -4.338 290 HB ILE 41 HB ILE 41 1.791 -6.507 -1.517 291 HG12 ILE 41 HG13 ILE 41 1.701 -4.420 -3.629 292 HG13 ILE 41 3HG1 ILE 41 0.526 -4.810 -2.380 293 HG21 ILE 41 HG21 ILE 41 4.229 -6.592 -1.538 294 HG22 ILE 41 HG22 ILE 41 4.274 -5.102 -2.482 295 HG23 ILE 41 HG23 ILE 41 3.626 -5.086 -0.839 296 HD11 ILE 41 HD11 ILE 41 3.109 -3.341 -1.939 297 HD12 ILE 41 HD12 ILE 41 1.506 -2.606 -2.041 298 HD13 ILE 41 HD13 ILE 41 1.894 -3.703 -0.713 299 H GLY 42 H GLY 42 4.723 -7.383 -4.351 300 HA2 GLY 42 HA3 GLY 42 4.815 -9.920 -2.843 301 HA3 GLY 42 HA2 GLY 42 5.357 -9.829 -4.511 302 H ASN 43 H ASN 43 6.939 -10.689 -2.347 303 HA ASN 43 HA ASN 43 8.894 -8.493 -2.170 304 HB2 ASN 43 HB2 ASN 43 8.309 -9.114 0.054 305 HB3 ASN 43 HB3 ASN 43 8.390 -10.829 -0.325 306 HD21 ASN 43 HD21 ASN 43 9.807 -11.188 1.372 307 HD22 ASN 43 HD22 ASN 43 11.483 -10.733 1.286 308 H ASN 44 H ASN 44 10.447 -8.682 -3.584 309 HA ASN 44 HA ASN 44 11.242 -11.390 -4.406 310 HB2 ASN 44 HB2 ASN 44 10.413 -9.850 -6.195 311 HB3 ASN 44 HB3 ASN 44 11.789 -8.799 -5.863 312 HD21 ASN 44 HD21 ASN 44 12.576 -9.077 -7.956 313 HD22 ASN 44 HD22 ASN 44 13.343 -10.540 -8.468 314 H ASP 45 H ASP 45 12.502 -11.649 -2.549 315 HA ASP 45 HA ASP 45 14.409 -11.691 -1.328 316 HB2 ASP 45 HB2 ASP 45 15.556 -10.911 -4.007 317 HB3 ASP 45 HB3 ASP 45 16.537 -11.373 -2.622 318 H GLY 46 H GLY 46 13.306 -9.644 -0.348 319 HA2 GLY 46 HA3 GLY 46 13.818 -7.734 0.826 320 HA3 GLY 46 HA2 GLY 46 15.451 -7.839 0.189 321 H HIS 47 H HIS 47 12.553 -7.674 -1.794 322 HA HIS 47 HA HIS 47 12.833 -4.829 -2.230 323 HB2 HIS 47 HB2 HIS 47 14.570 -5.720 -3.725 324 HB3 HIS 47 HB3 HIS 47 13.388 -6.780 -4.483 325 HD1 HIS 47 HD1 HIS 47 13.113 -5.882 -6.768 326 HD2 HIS 47 HD2 HIS 47 13.103 -2.863 -3.915 327 HE1 HIS 47 HE1 HIS 47 12.573 -3.771 -8.021 328 HE2 HIS 47 HE2 HIS 47 12.412 -1.981 -6.251 329 H PHE 48 H PHE 48 10.838 -4.074 -2.325 330 HA PHE 48 HA PHE 48 8.556 -5.701 -2.567 331 HB2 PHE 48 HB2 PHE 48 8.964 -2.728 -2.721 332 HB3 PHE 48 HB3 PHE 48 7.377 -3.447 -2.980 333 HD1 PHE 48 HD2 PHE 48 6.587 -5.096 -1.121 334 HD2 PHE 48 HD1 PHE 48 9.596 -2.140 -0.585 335 HE1 PHE 48 HE2 PHE 48 6.212 -5.163 1.308 336 HE2 PHE 48 HE1 PHE 48 9.235 -2.210 1.849 337 HZ PHE 48 HZ PHE 48 7.534 -3.718 2.797 338 H GLN 49 H GLN 49 7.151 -6.090 -4.180 339 HA GLN 49 HA GLN 49 7.850 -5.170 -6.876 340 HB2 GLN 49 HB2 GLN 49 8.686 -7.355 -6.906 341 HB3 GLN 49 HB3 GLN 49 7.404 -7.961 -5.869 342 HG2 GLN 49 HG2 GLN 49 5.812 -7.809 -7.666 343 HG3 GLN 49 HG3 GLN 49 7.016 -7.074 -8.718 344 HE21 GLN 49 HE21 GLN 49 6.907 -8.689 -10.253 345 HE22 GLN 49 HE22 GLN 49 7.499 -10.290 -9.976 346 H TRP 50 H TRP 50 6.179 -4.062 -7.650 347 HA TRP 50 HA TRP 50 3.545 -4.372 -6.559 348 HB2 TRP 50 HB2 TRP 50 4.653 -2.766 -8.865 349 HB3 TRP 50 HB3 TRP 50 2.924 -2.832 -8.533 350 HD1 TRP 50 HD1 TRP 50 5.950 -0.900 -7.650 351 HE1 TRP 50 HE1 TRP 50 5.456 0.696 -5.678 352 HE3 TRP 50 HE3 TRP 50 1.482 -2.852 -6.129 353 HZ2 TRP 50 HZ2 TRP 50 3.446 1.060 -3.744 354 HZ3 TRP 50 HZ3 TRP 50 0.339 -1.829 -4.210 355 HH2 TRP 50 HH2 TRP 50 1.299 0.090 -3.039 356 H GLY 51 H GLY 51 2.327 -6.030 -7.005 357 HA2 GLY 51 HA3 GLY 51 0.974 -7.281 -8.519 358 HA3 GLY 51 HA2 GLY 51 2.186 -7.022 -9.769 359 H GLY 52 H GLY 52 2.973 -8.005 -6.500 360 HA2 GLY 52 HA3 GLY 52 4.055 -10.505 -7.604 361 HA3 GLY 52 HA2 GLY 52 4.559 -9.746 -6.103 362 H GLN 53 H GLN 53 2.292 -9.390 -4.717 363 HA GLN 53 HA GLN 53 0.674 -10.339 -3.453 364 HB2 GLN 53 HB2 GLN 53 -0.639 -11.055 -5.199 365 HB3 GLN 53 HB3 GLN 53 0.602 -12.121 -5.844 366 HG2 GLN 53 HG2 GLN 53 0.169 -13.728 -4.087 367 HG3 GLN 53 HG3 GLN 53 -1.004 -12.636 -3.348 368 HE21 GLN 53 HE21 GLN 53 -2.695 -14.079 -3.540 369 HE22 GLN 53 HE22 GLN 53 -3.420 -14.468 -5.071 370 H ASN 54 H ASN 54 0.562 -11.633 -1.702 371 HA ASN 54 HA ASN 54 1.170 -13.029 -0.046 372 HB2 ASN 54 HB2 ASN 54 1.131 -14.684 -2.035 373 HB3 ASN 54 HB3 ASN 54 2.885 -14.614 -1.932 374 HD21 ASN 54 HD21 ASN 54 2.984 -16.784 -1.388 375 HD22 ASN 54 HD22 ASN 54 2.555 -17.358 0.186 376 H PHE 55 H PHE 55 2.731 -10.684 -0.676 377 HA PHE 55 HA PHE 55 5.509 -11.243 -0.278 378 HB2 PHE 55 HB2 PHE 55 5.836 -8.927 -0.321 379 HB3 PHE 55 HB3 PHE 55 4.378 -9.106 -1.279 380 HD1 PHE 55 HD1 PHE 55 2.142 -8.680 -0.142 381 HD2 PHE 55 HD2 PHE 55 5.880 -7.547 1.543 382 HE1 PHE 55 HE1 PHE 55 0.999 -7.039 1.290 383 HE2 PHE 55 HE2 PHE 55 4.743 -5.907 2.976 384 HZ PHE 55 HZ PHE 55 2.299 -5.651 2.852 385 H THR 56 H THR 56 2.771 -10.773 1.759 386 HA THR 56 HA THR 56 4.056 -10.066 4.148 387 HB THR 56 HB THR 56 1.947 -11.005 5.201 388 HG1 THR 56 HG1 THR 56 1.360 -12.528 3.621 389 HG21 THR 56 HG21 THR 56 1.881 -8.937 3.014 390 HG22 THR 56 HG22 THR 56 2.033 -8.678 4.753 391 HG23 THR 56 HG23 THR 56 0.508 -9.242 4.073 392 H GLU 57 H GLU 57 3.874 -13.082 2.483 393 HA GLU 57 HA GLU 57 4.264 -14.747 4.780 394 HB2 GLU 57 HB2 GLU 57 4.221 -16.510 3.330 395 HB3 GLU 57 HB3 GLU 57 3.475 -15.302 2.293 396 HG2 GLU 57 HG2 GLU 57 5.390 -15.028 1.022 397 HG3 GLU 57 HG3 GLU 57 6.422 -15.737 2.262 398 H THR 58 H THR 58 6.271 -12.683 2.996 399 HA THR 58 HA THR 58 8.668 -13.894 4.207 400 HB THR 58 HB THR 58 9.971 -13.146 2.256 401 HG1 THR 58 HG1 THR 58 7.457 -12.517 1.065 402 HG21 THR 58 HG21 THR 58 8.916 -15.422 2.290 403 HG22 THR 58 HG22 THR 58 9.237 -14.788 0.675 404 HG23 THR 58 HG23 THR 58 7.596 -14.752 1.326 405 H ALA 59 H ALA 59 6.664 -11.587 4.704 406 HA ALA 59 HA ALA 59 8.701 -9.539 5.195 407 HB1 ALA 59 HB1 ALA 59 7.219 -8.882 3.340 408 HB2 ALA 59 HB2 ALA 59 5.838 -9.002 4.431 409 HB3 ALA 59 HB3 ALA 59 7.098 -7.803 4.732 410 H GLU 60 H GLU 60 8.619 -8.452 7.055 411 HA GLU 60 HA GLU 60 6.519 -9.053 9.008 412 HB2 GLU 60 HB2 GLU 60 8.803 -8.883 10.549 413 HB3 GLU 60 HB3 GLU 60 7.908 -10.346 10.183 414 HG2 GLU 60 HG2 GLU 60 9.370 -10.930 8.447 415 HG3 GLU 60 HG3 GLU 60 10.128 -9.334 8.423 416 H ASP 61 H ASP 61 6.933 -7.560 11.015 417 HA ASP 61 HA ASP 61 6.786 -5.384 11.752 418 HB2 ASP 61 HB2 ASP 61 9.331 -5.881 11.545 419 HB3 ASP 61 HB3 ASP 61 9.258 -4.859 10.122 420 H ILE 62 H ILE 62 5.078 -5.671 9.723 421 HA ILE 62 HA ILE 62 5.629 -3.734 7.645 422 HB ILE 62 HB ILE 62 2.983 -5.105 8.054 423 HG12 ILE 62 HG13 ILE 62 5.560 -6.214 6.941 424 HG13 ILE 62 3HG1 ILE 62 4.515 -6.918 8.165 425 HG21 ILE 62 HG21 ILE 62 3.085 -3.351 6.373 426 HG22 ILE 62 HG22 ILE 62 4.482 -4.121 5.623 427 HG23 ILE 62 HG23 ILE 62 2.911 -4.924 5.596 428 HD11 ILE 62 HD11 ILE 62 2.813 -7.344 6.463 429 HD12 ILE 62 HD12 ILE 62 3.876 -6.650 5.238 430 HD13 ILE 62 HD13 ILE 62 4.346 -8.128 6.078 431 H ARG 63 H ARG 63 5.471 -1.677 8.136 432 HA ARG 63 HA ARG 63 3.057 -0.760 9.552 433 HB2 ARG 63 HB2 ARG 63 4.636 1.238 10.213 434 HB3 ARG 63 HB3 ARG 63 4.607 -0.238 11.167 435 HG2 ARG 63 HG2 ARG 63 6.536 -0.487 9.065 436 HG3 ARG 63 HG3 ARG 63 6.819 0.995 9.981 437 HD2 ARG 63 HD2 ARG 63 7.967 -1.087 10.840 438 HD3 ARG 63 HD3 ARG 63 7.011 -0.181 12.019 439 HE ARG 63 HE ARG 63 6.172 -2.685 10.710 440 HH11 ARG 63 HH12 ARG 63 6.030 -0.440 13.387 441 HH12 ARG 63 HH11 ARG 63 5.001 -1.448 14.350 442 HH21 ARG 63 HH22 ARG 63 4.814 -4.029 11.976 443 HH22 ARG 63 HH21 ARG 63 4.328 -3.513 13.562 444 H PHE 64 H PHE 64 1.852 0.564 8.427 445 HA PHE 64 HA PHE 64 2.875 1.578 5.895 446 HB2 PHE 64 HB2 PHE 64 0.768 0.428 5.761 447 HB3 PHE 64 HB3 PHE 64 0.101 1.382 7.076 448 HD1 PHE 64 HD2 PHE 64 2.055 2.849 4.309 449 HD2 PHE 64 HD1 PHE 64 -1.811 2.117 5.917 450 HE1 PHE 64 HE2 PHE 64 1.089 4.450 2.708 451 HE2 PHE 64 HE1 PHE 64 -2.778 3.698 4.316 452 HZ PHE 64 HZ PHE 64 -1.335 4.867 2.705 453 H HIS 65 H HIS 65 3.353 3.617 5.502 454 HA HIS 65 HA HIS 65 2.532 5.651 7.483 455 HB2 HIS 65 HB2 HIS 65 5.078 4.915 7.192 456 HB3 HIS 65 HB3 HIS 65 4.999 6.057 5.855 457 HD1 HIS 65 HD1 HIS 65 5.471 5.866 9.460 458 HD2 HIS 65 HD2 HIS 65 4.199 8.747 6.738 459 HE1 HIS 65 HE1 HIS 65 5.617 8.066 10.676 460 HE2 HIS 65 HE2 HIS 65 4.773 9.788 9.037 461 HA PRO 66 HA PRO 66 0.406 6.645 3.501 462 HB2 PRO 66 HB2 PRO 66 -1.288 8.379 4.885 463 HB3 PRO 66 HB3 PRO 66 -1.632 6.721 4.422 464 HG2 PRO 66 HG2 PRO 66 -0.766 7.806 7.032 465 HG3 PRO 66 HG3 PRO 66 -1.815 6.420 6.677 466 HD2 PRO 66 HD2 PRO 66 0.737 6.124 7.499 467 HD3 PRO 66 HD3 PRO 66 -0.030 4.991 6.367 468 H LYS 67 H LYS 67 1.371 8.806 6.026 469 HA LYS 67 HA LYS 67 1.861 10.873 3.981 470 HB2 LYS 67 HB2 LYS 67 1.267 11.359 6.906 471 HB3 LYS 67 HB3 LYS 67 1.477 12.586 5.669 472 HG2 LYS 67 HG2 LYS 67 -0.783 12.561 5.758 473 HG3 LYS 67 HG3 LYS 67 -0.558 11.271 4.575 474 HD2 LYS 67 HD2 LYS 67 -0.800 9.593 6.274 475 HD3 LYS 67 HD3 LYS 67 -0.825 10.816 7.545 476 HE2 LYS 67 HE2 LYS 67 -2.886 10.525 5.363 477 HE3 LYS 67 HE3 LYS 67 -3.069 9.944 7.016 478 HZ1 LYS 67 HZ1 LYS 67 -2.710 12.307 7.725 479 HZ2 LYS 67 HZ2 LYS 67 -4.158 12.013 6.898 480 HZ3 LYS 67 HZ3 LYS 67 -2.867 12.754 6.093 481 H GLU 68 H GLU 68 4.002 9.918 3.703 482 HA GLU 68 HA GLU 68 5.868 9.812 5.816 483 HB2 GLU 68 HB2 GLU 68 6.394 8.540 3.886 484 HB3 GLU 68 HB3 GLU 68 6.246 9.940 2.832 485 HG2 GLU 68 HG2 GLU 68 8.253 10.883 3.635 486 HG3 GLU 68 HG3 GLU 68 8.334 9.746 4.981 487 H GLY 69 H GLY 69 6.581 11.409 6.969 488 HA2 GLY 69 HA3 GLY 69 7.275 13.474 7.647 489 HA3 GLY 69 HA2 GLY 69 8.098 13.533 6.099 490 H ALA 70 H ALA 70 7.828 15.653 5.705 491 HA ALA 70 HA ALA 70 5.210 16.889 5.848 492 HB1 ALA 70 HB1 ALA 70 7.829 17.982 4.820 493 HB2 ALA 70 HB2 ALA 70 6.360 18.911 5.103 494 HB3 ALA 70 HB3 ALA 70 7.207 18.168 6.459 495 H ALA 71 H ALA 71 6.891 15.001 3.687 496 HA ALA 71 HA ALA 71 6.003 16.162 1.226 497 HB1 ALA 71 HB1 ALA 71 8.010 14.804 1.255 498 HB2 ALA 71 HB2 ALA 71 7.100 13.413 1.857 499 HB3 ALA 71 HB3 ALA 71 6.799 14.033 0.229 500 H GLU 72 H GLU 72 4.756 14.018 3.591 501 HA GLU 72 HA GLU 72 2.859 12.830 3.849 502 HB2 GLU 72 HB2 GLU 72 1.838 14.953 1.961 503 HB3 GLU 72 HB3 GLU 72 0.801 13.817 2.815 504 HG2 GLU 72 HG2 GLU 72 1.671 14.682 4.952 505 HG3 GLU 72 HG3 GLU 72 2.621 15.867 4.059 506 H GLN 73 H GLN 73 4.593 11.640 2.144 507 HA GLN 73 HA GLN 73 2.939 10.703 -0.088 508 HB2 GLN 73 HB2 GLN 73 5.911 10.513 0.391 509 HB3 GLN 73 HB3 GLN 73 5.090 9.628 -0.886 510 HG2 GLN 73 HG2 GLN 73 4.246 11.857 -1.718 511 HG3 GLN 73 HG3 GLN 73 5.375 12.601 -0.585 512 HE21 GLN 73 HE21 GLN 73 6.565 13.544 -2.236 513 HE22 GLN 73 HE22 GLN 73 7.611 12.623 -3.265 514 HA PRO 74 HA PRO 74 2.143 7.087 2.325 515 HB2 PRO 74 HB2 PRO 74 0.890 5.689 0.359 516 HB3 PRO 74 HB3 PRO 74 0.107 6.984 1.273 517 HG2 PRO 74 HG2 PRO 74 1.377 7.083 -1.440 518 HG3 PRO 74 HG3 PRO 74 -0.151 7.797 -0.897 519 HD2 PRO 74 HD2 PRO 74 2.098 9.260 -1.131 520 HD3 PRO 74 HD3 PRO 74 0.909 9.581 0.148 521 H ILE 75 H ILE 75 3.886 5.910 2.764 522 HA ILE 75 HA ILE 75 4.862 4.152 0.635 523 HB ILE 75 HB ILE 75 7.132 4.479 1.055 524 HG12 ILE 75 HG13 ILE 75 7.601 6.295 3.050 525 HG13 ILE 75 3HG1 ILE 75 6.252 5.374 3.711 526 HG21 ILE 75 HG21 ILE 75 7.530 6.911 0.880 527 HG22 ILE 75 HG22 ILE 75 6.252 6.332 -0.190 528 HG23 ILE 75 HG23 ILE 75 5.837 7.184 1.297 529 HD11 ILE 75 HD11 ILE 75 8.410 4.457 4.390 530 HD12 ILE 75 HD12 ILE 75 7.496 3.307 3.412 531 HD13 ILE 75 HD13 ILE 75 8.835 4.206 2.698 532 H LEU 76 H LEU 76 5.374 2.112 1.280 533 HA LEU 76 HA LEU 76 4.680 1.475 4.067 534 HB2 LEU 76 HB2 LEU 76 3.089 0.649 2.393 535 HB3 LEU 76 HB3 LEU 76 4.380 -0.188 1.564 536 HG LEU 76 HG LEU 76 2.713 -1.448 3.161 537 HD11 LEU 76 HD11 LEU 76 4.405 -3.158 3.529 538 HD12 LEU 76 HD12 LEU 76 4.551 -2.477 1.909 539 HD13 LEU 76 HD13 LEU 76 5.679 -1.989 3.174 540 HD21 LEU 76 HD21 LEU 76 3.175 -0.048 5.113 541 HD22 LEU 76 HD22 LEU 76 3.592 -1.738 5.400 542 HD23 LEU 76 HD23 LEU 76 4.863 -0.562 5.072 543 H ARG 77 H ARG 77 6.257 0.676 5.294 544 HA ARG 77 HA ARG 77 8.538 -0.587 3.933 545 HB2 ARG 77 HB2 ARG 77 10.090 0.358 5.423 546 HB3 ARG 77 HB3 ARG 77 9.024 1.683 4.991 547 HG2 ARG 77 HG2 ARG 77 8.681 0.086 7.512 548 HG3 ARG 77 HG3 ARG 77 9.716 1.508 7.413 549 HD2 ARG 77 HD2 ARG 77 6.768 1.431 6.807 550 HD3 ARG 77 HD3 ARG 77 7.491 2.038 8.295 551 HE ARG 77 HE ARG 77 7.760 3.275 5.637 552 HH11 ARG 77 HH12 ARG 77 8.018 3.454 9.116 553 HH12 ARG 77 HH11 ARG 77 8.196 5.184 9.156 554 HH21 ARG 77 HH22 ARG 77 8.049 5.557 5.664 555 HH22 ARG 77 HH21 ARG 77 8.243 6.377 7.187 556 H ALA 78 H ALA 78 9.329 -2.433 4.760 557 HA ALA 78 HA ALA 78 8.475 -3.523 7.284 558 HB1 ALA 78 HB1 ALA 78 7.367 -5.500 6.340 559 HB2 ALA 78 HB2 ALA 78 6.504 -4.019 5.921 560 HB3 ALA 78 HB3 ALA 78 7.525 -4.816 4.723 561 H ARG 79 H ARG 79 9.364 -5.837 7.480 562 HA ARG 79 HA ARG 79 12.088 -5.816 6.461 563 HB2 ARG 79 HB2 ARG 79 10.938 -8.030 8.140 564 HB3 ARG 79 HB3 ARG 79 12.596 -7.464 8.058 565 HG2 ARG 79 HG2 ARG 79 10.271 -6.189 9.465 566 HG3 ARG 79 HG3 ARG 79 11.760 -6.829 10.164 567 HD2 ARG 79 HD2 ARG 79 13.013 -5.063 8.929 568 HD3 ARG 79 HD3 ARG 79 11.456 -4.403 8.422 569 HE ARG 79 HE ARG 79 10.989 -3.847 10.700 570 HH11 ARG 79 HH12 ARG 79 14.278 -4.929 10.107 571 HH12 ARG 79 HH11 ARG 79 14.919 -4.140 11.520 572 HH21 ARG 79 HH22 ARG 79 11.819 -2.816 12.521 573 HH22 ARG 79 HH21 ARG 79 13.518 -2.926 12.901 574 H LEU 80 H LEU 80 12.499 -6.719 4.572 575 HA LEU 80 HA LEU 80 10.724 -8.819 3.570 576 HB2 LEU 80 HB2 LEU 80 12.420 -6.732 2.317 577 HB3 LEU 80 HB3 LEU 80 12.230 -8.241 1.447 578 HG LEU 80 HG LEU 80 9.914 -7.946 1.212 579 HD11 LEU 80 HD11 LEU 80 9.383 -7.273 3.452 580 HD12 LEU 80 HD12 LEU 80 10.080 -5.678 3.155 581 HD13 LEU 80 HD13 LEU 80 8.638 -6.188 2.278 582 HD21 LEU 80 HD21 LEU 80 11.137 -6.605 -0.334 583 HD22 LEU 80 HD22 LEU 80 9.704 -5.716 0.182 584 HD23 LEU 80 HD23 LEU 80 11.284 -5.305 0.851 585 H ARG 81 H ARG 81 11.367 -10.829 3.389 586 HA ARG 81 HA ARG 81 14.000 -11.562 4.267 587 HB2 ARG 81 HB2 ARG 81 12.157 -12.916 4.977 588 HB3 ARG 81 HB3 ARG 81 11.625 -13.170 3.322 589 HG2 ARG 81 HG2 ARG 81 14.353 -14.078 3.870 590 HG3 ARG 81 HG3 ARG 81 13.104 -14.921 4.783 591 HD2 ARG 81 HD2 ARG 81 11.887 -15.217 2.587 592 HD3 ARG 81 HD3 ARG 81 13.355 -14.625 1.807 593 HE ARG 81 HE ARG 81 14.489 -16.570 2.472 594 HH11 ARG 81 HH12 ARG 81 11.123 -16.621 3.439 595 HH12 ARG 81 HH11 ARG 81 11.064 -18.353 3.601 596 HH21 ARG 81 HH22 ARG 81 14.430 -18.841 2.723 597 HH22 ARG 81 HH21 ARG 81 12.949 -19.609 3.236 598 H ASP 82 H ASP 82 15.659 -12.356 3.130 599 HA ASP 82 HA ASP 82 15.561 -12.004 0.228 600 HB2 ASP 82 HB2 ASP 82 17.912 -12.422 2.088 601 HB3 ASP 82 HB3 ASP 82 18.037 -12.184 0.350 602 H CYS 83 H CYS 83 16.938 -13.681 -1.033 603 HA CYS 83 HA CYS 83 15.690 -16.178 -0.777 604 HB2 CYS 83 HB2 CYS 83 16.650 -15.322 -2.880 605 HB3 CYS 83 HB3 CYS 83 18.264 -15.529 -2.216 606 HG CYS 83 HG CYS 83 17.322 -17.539 -4.163 607 H ASN 84 H ASN 84 18.538 -14.917 0.732 608 HA ASN 84 HA ASN 84 19.736 -17.428 1.381 609 HB2 ASN 84 HB2 ASN 84 20.745 -14.988 1.372 610 HB3 ASN 84 HB3 ASN 84 20.197 -14.979 3.042 611 HD21 ASN 84 HD21 ASN 84 20.706 -17.843 3.428 612 HD22 ASN 84 HD22 ASN 84 22.428 -18.012 3.518 613 H GLY 85 H GLY 85 17.145 -15.593 2.676 614 HA2 GLY 85 HA3 GLY 85 15.540 -16.543 4.136 615 HA3 GLY 85 HA2 GLY 85 16.784 -17.604 4.781 616 H GLU 86 H GLU 86 16.959 -14.146 4.281 617 HA GLU 86 HA GLU 86 17.166 -13.775 7.187 618 HB2 GLU 86 HB2 GLU 86 18.866 -12.083 6.796 619 HB3 GLU 86 HB3 GLU 86 19.352 -13.598 6.053 620 HG2 GLU 86 HG2 GLU 86 18.387 -12.670 3.898 621 HG3 GLU 86 HG3 GLU 86 18.365 -11.113 4.722 622 H PHE 87 H PHE 87 17.146 -11.045 7.289 623 HA PHE 87 HA PHE 87 14.762 -10.247 5.757 624 HB2 PHE 87 HB2 PHE 87 15.045 -9.938 8.756 625 HB3 PHE 87 HB3 PHE 87 13.729 -9.290 7.784 626 HD1 PHE 87 HD2 PHE 87 12.232 -10.910 6.561 627 HD2 PHE 87 HD1 PHE 87 14.977 -12.129 9.572 628 HE1 PHE 87 HE2 PHE 87 10.989 -13.015 6.837 629 HE2 PHE 87 HE1 PHE 87 13.743 -14.240 9.851 630 HZ PHE 87 HZ PHE 87 11.744 -14.683 8.483 631 H HIS 88 H HIS 88 14.615 -8.255 5.178 632 HA HIS 88 HA HIS 88 16.574 -6.303 6.136 633 HB2 HIS 88 HB2 HIS 88 16.311 -7.421 3.395 634 HB3 HIS 88 HB3 HIS 88 16.654 -5.715 3.552 635 HD1 HIS 88 HD1 HIS 88 18.294 -8.875 3.308 636 HD2 HIS 88 HD2 HIS 88 19.062 -5.301 5.305 637 HE1 HIS 88 HE1 HIS 88 20.750 -8.915 3.872 638 HE2 HIS 88 HE2 HIS 88 21.141 -6.840 5.248 639 H ASP 89 H ASP 89 15.478 -4.556 6.726 640 HA ASP 89 HA ASP 89 12.765 -4.147 6.077 641 HB2 ASP 89 HB2 ASP 89 12.995 -1.999 7.240 642 HB3 ASP 89 HB3 ASP 89 13.736 -3.304 8.158 643 H ARG 90 H ARG 90 12.021 -3.627 4.145 644 HA ARG 90 HA ARG 90 13.533 -1.644 2.562 645 HB2 ARG 90 HB2 ARG 90 11.636 -3.795 1.595 646 HB3 ARG 90 HB3 ARG 90 12.470 -2.633 0.572 647 HG2 ARG 90 HG2 ARG 90 13.765 -4.758 2.264 648 HG3 ARG 90 HG3 ARG 90 13.570 -4.787 0.510 649 HD2 ARG 90 HD2 ARG 90 14.966 -2.779 0.335 650 HD3 ARG 90 HD3 ARG 90 15.172 -2.775 2.087 651 HE ARG 90 HE ARG 90 16.011 -5.156 0.611 652 HH11 ARG 90 HH12 ARG 90 16.895 -2.220 2.303 653 HH12 ARG 90 HH11 ARG 90 18.560 -2.684 2.502 654 HH21 ARG 90 HH22 ARG 90 18.187 -5.787 0.883 655 HH22 ARG 90 HH21 ARG 90 19.294 -4.721 1.716 656 H ASP 91 H ASP 91 11.903 -0.543 0.935 657 HA ASP 91 HA ASP 91 9.362 0.041 2.238 658 HB2 ASP 91 HB2 ASP 91 9.698 2.464 2.069 659 HB3 ASP 91 HB3 ASP 91 10.900 1.742 3.132 660 H VAL 92 H VAL 92 7.843 0.966 0.826 661 HA VAL 92 HA VAL 92 8.621 1.082 -1.986 662 HB VAL 92 HB VAL 92 7.735 -1.182 -1.530 663 HG11 VAL 92 HG11 VAL 92 5.349 -1.501 -1.120 664 HG12 VAL 92 HG12 VAL 92 6.133 -0.665 0.221 665 HG13 VAL 92 HG13 VAL 92 5.151 0.241 -0.932 666 HG21 VAL 92 HG21 VAL 92 7.621 -0.271 -3.732 667 HG22 VAL 92 HG22 VAL 92 6.172 -1.224 -3.410 668 HG23 VAL 92 HG23 VAL 92 6.100 0.538 -3.358 669 H ASN 93 H ASN 93 7.431 2.425 -3.224 670 HA ASN 93 HA ASN 93 6.041 4.517 -1.782 671 HB2 ASN 93 HB2 ASN 93 6.987 4.183 -4.619 672 HB3 ASN 93 HB3 ASN 93 5.925 5.508 -4.169 673 HD21 ASN 93 HD21 ASN 93 7.528 7.027 -4.680 674 HD22 ASN 93 HD22 ASN 93 8.893 7.285 -3.652 675 H LEU 94 H LEU 94 3.970 4.262 -1.302 676 HA LEU 94 HA LEU 94 2.283 2.516 -2.851 677 HB2 LEU 94 HB2 LEU 94 1.610 4.290 -0.507 678 HB3 LEU 94 HB3 LEU 94 0.527 3.117 -1.229 679 HG LEU 94 HG LEU 94 2.912 2.676 0.510 680 HD11 LEU 94 HD11 LEU 94 0.173 1.437 0.376 681 HD12 LEU 94 HD12 LEU 94 1.398 1.122 1.605 682 HD13 LEU 94 HD13 LEU 94 0.676 2.726 1.470 683 HD21 LEU 94 HD21 LEU 94 3.368 1.355 -1.511 684 HD22 LEU 94 HD22 LEU 94 3.005 0.334 -0.117 685 HD23 LEU 94 HD23 LEU 94 1.781 0.598 -1.360 686 H ASN 95 H ASN 95 3.300 5.536 -3.446 687 HA ASN 95 HA ASN 95 0.990 6.971 -4.136 688 HB2 ASN 95 HB2 ASN 95 3.653 7.079 -5.575 689 HB3 ASN 95 HB3 ASN 95 2.407 8.324 -5.579 690 HD21 ASN 95 HD21 ASN 95 5.040 6.940 -3.908 691 HD22 ASN 95 HD22 ASN 95 5.105 8.054 -2.606 692 H ARG 96 H ARG 96 2.313 4.163 -5.442 693 HA ARG 96 HA ARG 96 1.563 4.371 -8.157 694 HB2 ARG 96 HB2 ARG 96 2.133 2.102 -6.282 695 HB3 ARG 96 HB3 ARG 96 1.489 1.771 -7.879 696 HG2 ARG 96 HG2 ARG 96 3.953 1.580 -7.689 697 HG3 ARG 96 HG3 ARG 96 3.399 2.699 -8.934 698 HD2 ARG 96 HD2 ARG 96 3.969 3.841 -6.250 699 HD3 ARG 96 HD3 ARG 96 5.348 3.287 -7.207 700 HE ARG 96 HE ARG 96 3.783 5.620 -7.649 701 HH11 ARG 96 HH12 ARG 96 5.572 3.124 -9.320 702 HH12 ARG 96 HH11 ARG 96 5.984 4.133 -10.671 703 HH21 ARG 96 HH22 ARG 96 4.332 6.971 -9.416 704 HH22 ARG 96 HH21 ARG 96 5.279 6.320 -10.729 705 H ILE 97 H ILE 97 -0.208 3.894 -5.263 706 HA ILE 97 HA ILE 97 -2.461 2.597 -6.518 707 HB ILE 97 HB ILE 97 -2.214 3.752 -3.740 708 HG12 ILE 97 HG13 ILE 97 -2.052 0.830 -4.343 709 HG13 ILE 97 3HG1 ILE 97 -0.631 1.821 -4.659 710 HG21 ILE 97 HG21 ILE 97 -4.073 2.224 -3.213 711 HG22 ILE 97 HG22 ILE 97 -4.527 3.429 -4.421 712 HG23 ILE 97 HG23 ILE 97 -4.167 1.773 -4.916 713 HD11 ILE 97 HD11 ILE 97 -2.049 1.625 -2.019 714 HD12 ILE 97 HD12 ILE 97 -0.571 0.767 -2.460 715 HD13 ILE 97 HD13 ILE 97 -0.571 2.527 -2.360 716 H GLN 98 H GLN 98 -4.132 3.545 -7.386 717 HA GLN 98 HA GLN 98 -4.603 6.407 -6.887 718 HB2 GLN 98 HB2 GLN 98 -3.710 5.940 -9.164 719 HB3 GLN 98 HB3 GLN 98 -5.076 4.878 -9.454 720 HG2 GLN 98 HG2 GLN 98 -5.421 7.018 -10.516 721 HG3 GLN 98 HG3 GLN 98 -6.602 6.769 -9.234 722 HE21 GLN 98 HE21 GLN 98 -3.822 8.563 -10.266 723 HE22 GLN 98 HE22 GLN 98 -3.925 9.801 -9.062 724 H ASN 99 H ASN 99 -6.868 7.031 -7.211 725 HA ASN 99 HA ASN 99 -8.686 4.880 -6.360 726 HB2 ASN 99 HB2 ASN 99 -8.662 6.473 -4.632 727 HB3 ASN 99 HB3 ASN 99 -8.620 7.827 -5.757 728 HD21 ASN 99 HD21 ASN 99 -10.492 8.662 -6.523 729 HD22 ASN 99 HD22 ASN 99 -12.057 8.135 -6.001 730 H VAL 100 H VAL 100 -10.124 4.239 -7.802 731 HA VAL 100 HA VAL 100 -10.840 6.106 -9.959 732 HB VAL 100 HB VAL 100 -10.883 3.087 -10.060 733 HG11 VAL 100 HG11 VAL 100 -11.353 5.147 -12.216 734 HG12 VAL 100 HG12 VAL 100 -11.265 3.403 -12.468 735 HG13 VAL 100 HG13 VAL 100 -12.569 4.089 -11.498 736 HG21 VAL 100 HG21 VAL 100 -8.980 3.316 -11.605 737 HG22 VAL 100 HG22 VAL 100 -8.946 5.050 -11.283 738 HG23 VAL 100 HG23 VAL 100 -8.601 3.903 -9.986 739 H ASN 101 H ASN 101 -12.604 7.046 -9.042 740 HA ASN 101 HA ASN 101 -14.775 7.327 -8.488 741 HB2 ASN 101 HB2 ASN 101 -14.897 5.927 -10.677 742 HB3 ASN 101 HB3 ASN 101 -15.399 4.617 -9.614 743 HD21 ASN 101 HD21 ASN 101 -16.900 5.875 -11.719 744 HD22 ASN 101 HD22 ASN 101 -18.325 6.538 -10.985 745 H GLY 102 H GLY 102 -12.943 5.711 -6.640 746 HA2 GLY 102 HA3 GLY 102 -13.813 5.443 -4.328 747 HA3 GLY 102 HA2 GLY 102 -15.179 4.620 -5.046 748 H ARG 103 H ARG 103 -12.215 3.807 -6.505 749 HA ARG 103 HA ARG 103 -11.966 1.461 -4.760 750 HB2 ARG 103 HB2 ARG 103 -11.809 -0.038 -6.583 751 HB3 ARG 103 HB3 ARG 103 -13.206 0.975 -6.906 752 HG2 ARG 103 HG2 ARG 103 -11.850 2.326 -8.448 753 HG3 ARG 103 HG3 ARG 103 -10.484 1.245 -8.162 754 HD2 ARG 103 HD2 ARG 103 -11.569 0.602 -10.207 755 HD3 ARG 103 HD3 ARG 103 -11.869 -0.639 -8.991 756 HE ARG 103 HE ARG 103 -13.954 1.314 -9.078 757 HH11 ARG 103 HH12 ARG 103 -12.745 -1.588 -10.641 758 HH12 ARG 103 HH11 ARG 103 -14.290 -2.016 -11.302 759 HH21 ARG 103 HH22 ARG 103 -15.978 0.729 -9.914 760 HH22 ARG 103 HH21 ARG 103 -16.136 -0.719 -10.875 761 H LEU 104 H LEU 104 -9.961 0.884 -4.207 762 HA LEU 104 HA LEU 104 -7.776 2.583 -5.077 763 HB2 LEU 104 HB2 LEU 104 -7.901 0.366 -3.024 764 HB3 LEU 104 HB3 LEU 104 -6.484 1.347 -3.344 765 HG LEU 104 HG LEU 104 -9.114 2.318 -2.226 766 HD11 LEU 104 HD11 LEU 104 -7.800 2.773 -0.213 767 HD12 LEU 104 HD12 LEU 104 -7.774 1.058 -0.627 768 HD13 LEU 104 HD13 LEU 104 -6.377 2.073 -0.985 769 HD21 LEU 104 HD21 LEU 104 -8.103 3.992 -3.687 770 HD22 LEU 104 HD22 LEU 104 -8.003 4.478 -1.994 771 HD23 LEU 104 HD23 LEU 104 -6.580 3.841 -2.813 772 H VAL 105 H VAL 105 -6.358 2.038 -6.608 773 HA VAL 105 HA VAL 105 -5.906 -0.800 -7.182 774 HB VAL 105 HB VAL 105 -7.584 -0.022 -8.802 775 HG11 VAL 105 HG11 VAL 105 -7.001 1.638 -10.506 776 HG12 VAL 105 HG12 VAL 105 -7.027 2.337 -8.887 777 HG13 VAL 105 HG13 VAL 105 -5.488 1.963 -9.661 778 HG21 VAL 105 HG21 VAL 105 -4.864 -0.557 -9.976 779 HG22 VAL 105 HG22 VAL 105 -6.069 -1.756 -9.500 780 HG23 VAL 105 HG23 VAL 105 -6.386 -0.676 -10.859 781 H PHE 106 H PHE 106 -3.846 -1.303 -7.654 782 HA PHE 106 HA PHE 106 -1.845 0.765 -7.316 783 HB2 PHE 106 HB2 PHE 106 -0.294 -0.992 -6.964 784 HB3 PHE 106 HB3 PHE 106 -1.784 -1.556 -6.212 785 HD1 PHE 106 HD1 PHE 106 -3.364 -2.859 -8.022 786 HD2 PHE 106 HD2 PHE 106 0.880 -2.548 -8.134 787 HE1 PHE 106 HE1 PHE 106 -3.253 -4.891 -9.401 788 HE2 PHE 106 HE2 PHE 106 0.995 -4.579 -9.513 789 HZ PHE 106 HZ PHE 106 -1.069 -5.751 -10.152 790 H GLN 107 H GLN 107 -0.259 1.303 -8.859 791 HA GLN 107 HA GLN 107 -0.905 0.444 -11.602 792 HB2 GLN 107 HB2 GLN 107 0.366 3.016 -10.642 793 HB3 GLN 107 HB3 GLN 107 0.148 2.578 -12.330 794 HG2 GLN 107 HG2 GLN 107 -2.086 2.933 -10.344 795 HG3 GLN 107 HG3 GLN 107 -1.550 4.156 -11.493 796 HE21 GLN 107 HE21 GLN 107 -3.149 1.092 -11.107 797 HE22 GLN 107 HE22 GLN 107 -3.875 1.047 -12.677 Start of MODEL 11 1 H MET 1 H MET 1 -2.307 13.495 -9.321 2 HA MET 1 HA MET 1 -0.367 12.241 -8.641 3 HB2 MET 1 HB2 MET 1 -1.150 14.103 -7.256 4 HB3 MET 1 HB3 MET 1 -2.230 13.024 -6.387 5 HG2 MET 1 HG2 MET 1 -0.185 13.582 -5.138 6 HG3 MET 1 HG3 MET 1 -0.376 11.852 -5.420 7 HE1 MET 1 HE1 MET 1 3.519 12.390 -5.525 8 HE2 MET 1 HE2 MET 1 2.382 13.295 -4.526 9 HE3 MET 1 HE3 MET 1 2.185 11.554 -4.734 10 H SER 2 H SER 2 -2.638 11.231 -6.139 11 HA SER 2 HA SER 2 -2.478 8.439 -6.845 12 HB2 SER 2 HB2 SER 2 -1.335 9.247 -4.164 13 HB3 SER 2 HB3 SER 2 -1.288 7.664 -4.934 14 HG SER 2 HG SER 2 0.148 8.525 -6.477 15 H TYR 3 H TYR 3 -3.568 7.135 -4.982 16 HA TYR 3 HA TYR 3 -6.117 8.151 -4.516 17 HB2 TYR 3 HB2 TYR 3 -6.512 6.208 -3.227 18 HB3 TYR 3 HB3 TYR 3 -5.272 5.722 -4.377 19 HD1 TYR 3 HD1 TYR 3 -2.849 5.649 -3.571 20 HD2 TYR 3 HD2 TYR 3 -6.153 6.022 -0.919 21 HE1 TYR 3 HE1 TYR 3 -1.423 4.922 -1.701 22 HE2 TYR 3 HE2 TYR 3 -4.748 5.308 0.957 23 HH TYR 3 HH TYR 3 -1.349 5.096 0.725 24 H ALA 4 H ALA 4 -3.226 8.234 -2.530 25 HA ALA 4 HA ALA 4 -4.227 9.048 -0.092 26 HB1 ALA 4 HB1 ALA 4 -1.928 8.310 -0.477 27 HB2 ALA 4 HB2 ALA 4 -1.587 9.831 -1.304 28 HB3 ALA 4 HB3 ALA 4 -1.998 9.833 0.411 29 H ASP 5 H ASP 5 -3.787 10.947 -2.986 30 HA ASP 5 HA ASP 5 -3.688 13.513 -1.914 31 HB2 ASP 5 HB2 ASP 5 -3.376 13.041 -4.305 32 HB3 ASP 5 HB3 ASP 5 -5.078 12.613 -4.447 33 H SER 6 H SER 6 -6.387 11.318 -2.263 34 HA SER 6 HA SER 6 -8.076 13.282 -0.864 35 HB2 SER 6 HB2 SER 6 -9.025 11.401 -3.035 36 HB3 SER 6 HB3 SER 6 -9.998 12.600 -2.183 37 HG SER 6 HG SER 6 -7.824 13.771 -3.253 38 H SER 7 H SER 7 -6.485 11.067 0.180 39 HA SER 7 HA SER 7 -8.658 9.328 1.147 40 HB2 SER 7 HB2 SER 7 -5.732 8.683 0.788 41 HB3 SER 7 HB3 SER 7 -6.891 7.627 1.592 42 HG SER 7 HG SER 7 -7.133 8.566 -1.077 43 H ARG 8 H ARG 8 -8.521 8.549 3.274 44 HA ARG 8 HA ARG 8 -6.745 9.815 5.176 45 HB2 ARG 8 HB2 ARG 8 -8.405 10.880 6.489 46 HB3 ARG 8 HB3 ARG 8 -8.750 11.379 4.839 47 HG2 ARG 8 HG2 ARG 8 -10.264 9.093 5.139 48 HG3 ARG 8 HG3 ARG 8 -10.381 9.882 6.715 49 HD2 ARG 8 HD2 ARG 8 -12.162 10.649 5.262 50 HD3 ARG 8 HD3 ARG 8 -11.039 11.967 5.596 51 HE ARG 8 HE ARG 8 -11.070 10.416 3.087 52 HH11 ARG 8 HH12 ARG 8 -10.603 13.417 4.844 53 HH12 ARG 8 HH11 ARG 8 -10.156 14.318 3.434 54 HH21 ARG 8 HH22 ARG 8 -10.492 11.639 1.220 55 HH22 ARG 8 HH21 ARG 8 -10.085 13.321 1.396 56 H ASN 9 H ASN 9 -7.356 8.923 7.435 57 HA ASN 9 HA ASN 9 -7.508 7.092 8.785 58 HB2 ASN 9 HB2 ASN 9 -9.961 7.459 7.764 59 HB3 ASN 9 HB3 ASN 9 -9.628 5.871 7.089 60 HD21 ASN 9 HD21 ASN 9 -11.629 6.553 8.973 61 HD22 ASN 9 HD22 ASN 9 -11.303 5.660 10.423 62 H ALA 10 H ALA 10 -5.738 7.004 6.481 63 HA ALA 10 HA ALA 10 -5.861 4.367 5.359 64 HB1 ALA 10 HB1 ALA 10 -3.836 4.956 4.204 65 HB2 ALA 10 HB2 ALA 10 -4.927 6.338 4.160 66 HB3 ALA 10 HB3 ALA 10 -3.567 6.324 5.283 67 H VAL 11 H VAL 11 -5.390 2.627 6.485 68 HA VAL 11 HA VAL 11 -2.985 2.548 8.147 69 HB VAL 11 HB VAL 11 -5.641 1.549 9.215 70 HG11 VAL 11 HG11 VAL 11 -4.416 1.289 11.322 71 HG12 VAL 11 HG12 VAL 11 -3.712 0.318 10.029 72 HG13 VAL 11 HG13 VAL 11 -2.937 1.823 10.522 73 HG21 VAL 11 HG21 VAL 11 -5.659 3.996 9.161 74 HG22 VAL 11 HG22 VAL 11 -5.587 3.386 10.816 75 HG23 VAL 11 HG23 VAL 11 -4.135 4.027 10.047 76 H LEU 12 H LEU 12 -2.125 0.463 8.325 77 HA LEU 12 HA LEU 12 -3.029 -1.411 6.308 78 HB2 LEU 12 HB2 LEU 12 -0.562 -0.745 7.491 79 HB3 LEU 12 HB3 LEU 12 -0.903 -2.389 7.993 80 HG LEU 12 HG LEU 12 -1.024 -3.142 5.722 81 HD11 LEU 12 HD11 LEU 12 -0.690 -1.625 3.826 82 HD12 LEU 12 HD12 LEU 12 -2.145 -1.212 4.734 83 HD13 LEU 12 HD13 LEU 12 -0.679 -0.249 4.930 84 HD21 LEU 12 HD21 LEU 12 1.330 -1.317 6.176 85 HD22 LEU 12 HD22 LEU 12 1.198 -3.010 6.641 86 HD23 LEU 12 HD23 LEU 12 1.248 -2.566 4.935 87 H THR 13 H THR 13 -3.863 -3.413 6.701 88 HA THR 13 HA THR 13 -4.512 -4.092 9.487 89 HB THR 13 HB THR 13 -6.330 -4.580 7.114 90 HG1 THR 13 HG1 THR 13 -5.835 -2.268 8.412 91 HG21 THR 13 HG21 THR 13 -6.664 -6.022 9.092 92 HG22 THR 13 HG22 THR 13 -8.038 -4.951 8.807 93 HG23 THR 13 HG23 THR 13 -6.878 -4.580 10.086 94 H ASN 14 H ASN 14 -4.994 -6.414 9.775 95 HA ASN 14 HA ASN 14 -4.650 -8.641 9.509 96 HB2 ASN 14 HB2 ASN 14 -5.154 -7.797 6.947 97 HB3 ASN 14 HB3 ASN 14 -3.583 -8.577 6.778 98 HD21 ASN 14 HD21 ASN 14 -6.127 -9.401 5.714 99 HD22 ASN 14 HD22 ASN 14 -6.446 -10.977 6.351 100 H GLY 15 H GLY 15 -2.419 -6.410 9.725 101 HA2 GLY 15 HA3 GLY 15 -0.278 -6.746 10.664 102 HA3 GLY 15 HA2 GLY 15 -0.249 -8.361 9.970 103 H GLY 16 H GLY 16 -1.266 -5.724 8.030 104 HA2 GLY 16 HA3 GLY 16 0.008 -4.389 6.548 105 HA3 GLY 16 HA2 GLY 16 1.380 -5.458 6.808 106 H ARG 17 H ARG 17 -1.758 -6.778 6.189 107 HA ARG 17 HA ARG 17 -0.794 -7.688 3.568 108 HB2 ARG 17 HB2 ARG 17 -3.102 -8.962 5.002 109 HB3 ARG 17 HB3 ARG 17 -1.979 -9.675 3.851 110 HG2 ARG 17 HG2 ARG 17 -0.197 -9.474 5.605 111 HG3 ARG 17 HG3 ARG 17 -1.458 -8.988 6.730 112 HD2 ARG 17 HD2 ARG 17 -1.125 -11.301 7.067 113 HD3 ARG 17 HD3 ARG 17 -2.636 -11.143 6.177 114 HE ARG 17 HE ARG 17 -0.625 -11.518 4.290 115 HH11 ARG 17 HH12 ARG 17 -1.982 -13.285 7.001 116 HH12 ARG 17 HH11 ARG 17 -1.693 -14.850 6.289 117 HH21 ARG 17 HH22 ARG 17 -0.247 -13.567 3.354 118 HH22 ARG 17 HH21 ARG 17 -0.701 -15.009 4.214 119 H THR 18 H THR 18 -3.112 -5.769 5.157 120 HA THR 18 HA THR 18 -4.576 -5.437 2.627 121 HB THR 18 HB THR 18 -5.809 -5.425 5.389 122 HG1 THR 18 HG1 THR 18 -6.297 -7.274 3.266 123 HG21 THR 18 HG21 THR 18 -7.085 -5.140 2.666 124 HG22 THR 18 HG22 THR 18 -6.887 -3.850 3.856 125 HG23 THR 18 HG23 THR 18 -7.941 -5.221 4.207 126 H LEU 19 H LEU 19 -4.656 -3.421 1.942 127 HA LEU 19 HA LEU 19 -3.812 -1.242 3.693 128 HB2 LEU 19 HB2 LEU 19 -2.627 -1.403 1.615 129 HB3 LEU 19 HB3 LEU 19 -4.119 -1.519 0.707 130 HG LEU 19 HG LEU 19 -4.639 0.820 1.288 131 HD11 LEU 19 HD11 LEU 19 -3.456 1.000 3.394 132 HD12 LEU 19 HD12 LEU 19 -1.911 0.773 2.570 133 HD13 LEU 19 HD13 LEU 19 -2.869 2.221 2.264 134 HD21 LEU 19 HD21 LEU 19 -1.951 0.350 0.007 135 HD22 LEU 19 HD22 LEU 19 -3.521 0.302 -0.796 136 HD23 LEU 19 HD23 LEU 19 -2.912 1.824 -0.143 137 H ARG 20 H ARG 20 -5.455 -0.345 4.781 138 HA ARG 20 HA ARG 20 -8.059 -0.045 3.443 139 HB2 ARG 20 HB2 ARG 20 -7.743 -1.240 5.728 140 HB3 ARG 20 HB3 ARG 20 -7.538 0.376 6.381 141 HG2 ARG 20 HG2 ARG 20 -9.967 -0.486 4.836 142 HG3 ARG 20 HG3 ARG 20 -9.831 -0.615 6.585 143 HD2 ARG 20 HD2 ARG 20 -9.652 1.931 4.978 144 HD3 ARG 20 HD3 ARG 20 -11.048 1.396 5.909 145 HE ARG 20 HE ARG 20 -8.659 2.645 6.908 146 HH11 ARG 20 HH12 ARG 20 -11.330 0.523 7.746 147 HH12 ARG 20 HH11 ARG 20 -11.317 0.968 9.427 148 HH21 ARG 20 HH22 ARG 20 -8.651 3.225 9.121 149 HH22 ARG 20 HH21 ARG 20 -9.799 2.501 10.209 150 H ALA 21 H ALA 21 -8.619 1.926 2.740 151 HA ALA 21 HA ALA 21 -7.811 4.298 4.225 152 HB1 ALA 21 HB1 ALA 21 -5.954 3.974 2.665 153 HB2 ALA 21 HB2 ALA 21 -7.089 3.938 1.315 154 HB3 ALA 21 HB3 ALA 21 -6.884 5.417 2.255 155 H GLU 22 H GLU 22 -9.172 6.085 3.841 156 HA GLU 22 HA GLU 22 -11.590 5.405 2.301 157 HB2 GLU 22 HB2 GLU 22 -11.434 7.647 4.296 158 HB3 GLU 22 HB3 GLU 22 -12.847 6.755 3.748 159 HG2 GLU 22 HG2 GLU 22 -11.766 4.728 4.875 160 HG3 GLU 22 HG3 GLU 22 -10.723 5.905 5.670 161 H CYS 23 H CYS 23 -11.553 6.238 0.339 162 HA CYS 23 HA CYS 23 -10.471 8.958 -0.006 163 HB2 CYS 23 HB2 CYS 23 -9.013 7.249 -1.034 164 HB3 CYS 23 HB3 CYS 23 -10.373 6.681 -1.998 165 HG CYS 23 HG CYS 23 -10.527 8.786 -3.668 166 H ARG 24 H ARG 24 -11.553 10.324 -1.358 167 HA ARG 24 HA ARG 24 -14.344 9.913 -1.620 168 HB2 ARG 24 HB2 ARG 24 -14.313 12.149 -1.679 169 HB3 ARG 24 HB3 ARG 24 -12.558 12.108 -1.690 170 HG2 ARG 24 HG2 ARG 24 -14.141 11.873 -4.223 171 HG3 ARG 24 HG3 ARG 24 -13.750 13.438 -3.513 172 HD2 ARG 24 HD2 ARG 24 -11.606 13.330 -4.170 173 HD3 ARG 24 HD3 ARG 24 -11.460 11.633 -3.716 174 HE ARG 24 HE ARG 24 -13.029 11.692 -5.997 175 HH11 ARG 24 HH12 ARG 24 -9.755 12.588 -5.088 176 HH12 ARG 24 HH11 ARG 24 -9.099 12.286 -6.666 177 HH21 ARG 24 HH22 ARG 24 -12.157 11.336 -8.102 178 HH22 ARG 24 HH21 ARG 24 -10.461 11.595 -8.379 179 H ASN 25 H ASN 25 -15.554 9.551 -3.468 180 HA ASN 25 HA ASN 25 -14.127 8.180 -5.596 181 HB2 ASN 25 HB2 ASN 25 -16.220 7.293 -6.264 182 HB3 ASN 25 HB3 ASN 25 -16.214 7.278 -4.511 183 HD21 ASN 25 HD21 ASN 25 -18.408 7.257 -6.450 184 HD22 ASN 25 HD22 ASN 25 -19.422 8.593 -6.025 185 H ALA 26 H ALA 26 -15.756 8.559 -7.756 186 HA ALA 26 HA ALA 26 -14.756 10.925 -8.876 187 HB1 ALA 26 HB1 ALA 26 -15.389 8.935 -10.164 188 HB2 ALA 26 HB2 ALA 26 -17.088 9.266 -9.820 189 HB3 ALA 26 HB3 ALA 26 -16.148 10.402 -10.791 190 H ASP 27 H ASP 27 -17.687 10.309 -7.095 191 HA ASP 27 HA ASP 27 -18.991 12.745 -7.940 192 HB2 ASP 27 HB2 ASP 27 -20.272 10.701 -7.324 193 HB3 ASP 27 HB3 ASP 27 -19.713 10.882 -5.669 194 H GLY 28 H GLY 28 -16.826 11.771 -5.441 195 HA2 GLY 28 HA3 GLY 28 -15.591 13.500 -4.280 196 HA3 GLY 28 HA2 GLY 28 -17.064 14.463 -4.258 197 H ASN 29 H ASN 29 -17.983 11.371 -3.663 198 HA ASN 29 HA ASN 29 -18.346 11.911 -0.836 199 HB2 ASN 29 HB2 ASN 29 -20.039 10.754 -2.455 200 HB3 ASN 29 HB3 ASN 29 -19.043 9.332 -2.182 201 HD21 ASN 29 HD21 ASN 29 -20.691 8.218 -1.161 202 HD22 ASN 29 HD22 ASN 29 -21.214 8.613 0.437 203 H TRP 30 H TRP 30 -17.430 10.755 0.818 204 HA TRP 30 HA TRP 30 -14.887 9.566 0.262 205 HB2 TRP 30 HB2 TRP 30 -16.425 9.939 2.835 206 HB3 TRP 30 HB3 TRP 30 -14.829 9.196 2.761 207 HD1 TRP 30 HD1 TRP 30 -14.120 11.499 0.324 208 HE1 TRP 30 HE1 TRP 30 -13.293 13.783 1.193 209 HE3 TRP 30 HE3 TRP 30 -15.786 11.169 5.142 210 HZ2 TRP 30 HZ2 TRP 30 -13.351 15.239 3.609 211 HZ3 TRP 30 HZ3 TRP 30 -15.359 13.048 6.669 212 HH2 TRP 30 HH2 TRP 30 -14.165 15.041 5.918 213 H VAL 31 H VAL 31 -14.541 7.554 -0.250 214 HA VAL 31 HA VAL 31 -16.496 5.501 0.556 215 HB VAL 31 HB VAL 31 -14.657 5.268 -1.814 216 HG11 VAL 31 HG11 VAL 31 -15.651 3.209 -1.018 217 HG12 VAL 31 HG12 VAL 31 -17.260 3.925 -1.110 218 HG13 VAL 31 HG13 VAL 31 -16.330 3.654 -2.585 219 HG21 VAL 31 HG21 VAL 31 -17.410 6.486 -1.772 220 HG22 VAL 31 HG22 VAL 31 -15.899 7.268 -2.242 221 HG23 VAL 31 HG23 VAL 31 -16.568 5.969 -3.233 222 H THR 32 H THR 32 -15.714 4.002 1.898 223 HA THR 32 HA THR 32 -12.918 3.923 2.540 224 HB THR 32 HB THR 32 -15.024 1.946 3.415 225 HG1 THR 32 HG1 THR 32 -14.403 4.173 5.018 226 HG21 THR 32 HG21 THR 32 -12.673 1.411 3.934 227 HG22 THR 32 HG22 THR 32 -13.613 1.733 5.391 228 HG23 THR 32 HG23 THR 32 -12.516 2.962 4.760 229 H SER 33 H SER 33 -11.566 3.018 1.107 230 HA SER 33 HA SER 33 -12.436 0.564 -0.257 231 HB2 SER 33 HB2 SER 33 -10.497 1.241 -1.863 232 HB3 SER 33 HB3 SER 33 -12.039 2.094 -1.969 233 HG SER 33 HG SER 33 -11.068 3.859 -1.389 234 H GLU 34 H GLU 34 -11.168 -1.219 -0.232 235 HA GLU 34 HA GLU 34 -8.674 -1.066 1.312 236 HB2 GLU 34 HB2 GLU 34 -10.557 -3.410 1.461 237 HB3 GLU 34 HB3 GLU 34 -9.217 -3.010 2.530 238 HG2 GLU 34 HG2 GLU 34 -10.516 -0.979 3.221 239 HG3 GLU 34 HG3 GLU 34 -11.879 -1.640 2.329 240 H LEU 35 H LEU 35 -6.996 -2.014 0.385 241 HA LEU 35 HA LEU 35 -7.501 -3.954 -1.768 242 HB2 LEU 35 HB2 LEU 35 -6.782 -2.038 -2.935 243 HB3 LEU 35 HB3 LEU 35 -5.579 -1.645 -1.722 244 HG LEU 35 HG LEU 35 -4.188 -3.515 -2.443 245 HD11 LEU 35 HD11 LEU 35 -4.740 -4.869 -4.376 246 HD12 LEU 35 HD12 LEU 35 -5.971 -5.054 -3.128 247 HD13 LEU 35 HD13 LEU 35 -6.294 -4.043 -4.537 248 HD21 LEU 35 HD21 LEU 35 -3.613 -2.702 -4.691 249 HD22 LEU 35 HD22 LEU 35 -5.112 -1.770 -4.720 250 HD23 LEU 35 HD23 LEU 35 -3.858 -1.387 -3.540 251 H ASP 36 H ASP 36 -6.723 -5.836 -1.322 252 HA ASP 36 HA ASP 36 -5.042 -6.324 0.891 253 HB2 ASP 36 HB2 ASP 36 -5.990 -8.038 -1.405 254 HB3 ASP 36 HB3 ASP 36 -4.970 -8.651 -0.121 255 H LEU 37 H LEU 37 -3.016 -5.657 0.887 256 HA LEU 37 HA LEU 37 -1.437 -5.118 -1.371 257 HB2 LEU 37 HB2 LEU 37 -0.571 -5.854 1.422 258 HB3 LEU 37 HB3 LEU 37 0.453 -5.134 0.189 259 HG LEU 37 HG LEU 37 -1.845 -3.895 1.628 260 HD11 LEU 37 HD11 LEU 37 0.332 -4.022 2.696 261 HD12 LEU 37 HD12 LEU 37 1.028 -3.148 1.335 262 HD13 LEU 37 HD13 LEU 37 -0.167 -2.359 2.367 263 HD21 LEU 37 HD21 LEU 37 -0.333 -2.808 -0.739 264 HD22 LEU 37 HD22 LEU 37 -2.025 -3.310 -0.729 265 HD23 LEU 37 HD23 LEU 37 -1.513 -1.922 0.231 266 H ASP 38 H ASP 38 -1.793 -7.865 0.712 267 HA ASP 38 HA ASP 38 0.315 -9.425 -0.315 268 HB2 ASP 38 HB2 ASP 38 -0.535 -11.217 0.916 269 HB3 ASP 38 HB3 ASP 38 -1.048 -9.809 1.840 270 H THR 39 H THR 39 -2.398 -8.348 -1.908 271 HA THR 39 HA THR 39 -2.463 -10.804 -3.539 272 HB THR 39 HB THR 39 -4.625 -9.740 -2.454 273 HG1 THR 39 HG1 THR 39 -4.087 -11.387 -4.478 274 HG21 THR 39 HG21 THR 39 -5.867 -8.393 -4.087 275 HG22 THR 39 HG22 THR 39 -4.435 -8.330 -5.116 276 HG23 THR 39 HG23 THR 39 -4.417 -7.558 -3.529 277 H ILE 40 H ILE 40 -1.228 -7.697 -3.536 278 HA ILE 40 HA ILE 40 -0.715 -7.899 -6.410 279 HB ILE 40 HB ILE 40 -1.085 -5.404 -6.626 280 HG12 ILE 40 HG13 ILE 40 -3.042 -4.770 -4.916 281 HG13 ILE 40 3HG1 ILE 40 -2.130 -5.868 -3.887 282 HG21 ILE 40 HG21 ILE 40 -3.462 -7.178 -6.117 283 HG22 ILE 40 HG22 ILE 40 -3.511 -5.634 -6.967 284 HG23 ILE 40 HG23 ILE 40 -2.595 -6.983 -7.639 285 HD11 ILE 40 HD11 ILE 40 -1.493 -3.546 -3.542 286 HD12 ILE 40 HD12 ILE 40 -0.147 -4.503 -4.164 287 HD13 ILE 40 HD13 ILE 40 -1.030 -3.419 -5.239 288 H ILE 41 H ILE 41 0.664 -7.870 -3.572 289 HA ILE 41 HA ILE 41 2.956 -6.242 -4.471 290 HB ILE 41 HB ILE 41 1.920 -6.507 -1.646 291 HG12 ILE 41 HG13 ILE 41 1.828 -4.363 -3.713 292 HG13 ILE 41 3HG1 ILE 41 0.616 -4.839 -2.528 293 HG21 ILE 41 HG21 ILE 41 4.358 -6.553 -1.679 294 HG22 ILE 41 HG22 ILE 41 4.376 -5.051 -2.606 295 HG23 ILE 41 HG23 ILE 41 3.736 -5.064 -0.959 296 HD11 ILE 41 HD11 ILE 41 1.884 -3.757 -0.771 297 HD12 ILE 41 HD12 ILE 41 3.136 -3.316 -1.937 298 HD13 ILE 41 HD13 ILE 41 1.519 -2.624 -2.074 299 H GLY 42 H GLY 42 4.874 -7.273 -4.433 300 HA2 GLY 42 HA3 GLY 42 4.979 -9.869 -3.028 301 HA3 GLY 42 HA2 GLY 42 5.530 -9.718 -4.688 302 H ASN 43 H ASN 43 7.107 -10.638 -2.539 303 HA ASN 43 HA ASN 43 9.044 -8.444 -2.258 304 HB2 ASN 43 HB2 ASN 43 8.420 -9.087 -0.077 305 HB3 ASN 43 HB3 ASN 43 8.423 -10.795 -0.485 306 HD21 ASN 43 HD21 ASN 43 9.746 -11.265 1.248 307 HD22 ASN 43 HD22 ASN 43 11.446 -10.899 1.240 308 H ASN 44 H ASN 44 10.642 -8.604 -3.668 309 HA ASN 44 HA ASN 44 11.501 -11.290 -4.515 310 HB2 ASN 44 HB2 ASN 44 10.773 -9.688 -6.292 311 HB3 ASN 44 HB3 ASN 44 12.112 -8.637 -5.840 312 HD21 ASN 44 HD21 ASN 44 14.206 -9.214 -6.394 313 HD22 ASN 44 HD22 ASN 44 14.561 -10.517 -7.478 314 H ASP 45 H ASP 45 12.714 -11.637 -2.606 315 HA ASP 45 HA ASP 45 14.580 -11.701 -1.313 316 HB2 ASP 45 HB2 ASP 45 15.722 -10.879 -3.971 317 HB3 ASP 45 HB3 ASP 45 16.755 -11.113 -2.566 318 H GLY 46 H GLY 46 13.181 -9.558 -0.593 319 HA2 GLY 46 HA3 GLY 46 13.600 -7.706 0.748 320 HA3 GLY 46 HA2 GLY 46 15.276 -7.742 0.230 321 H HIS 47 H HIS 47 12.486 -7.667 -1.910 322 HA HIS 47 HA HIS 47 12.877 -4.830 -2.451 323 HB2 HIS 47 HB2 HIS 47 13.168 -6.928 -4.618 324 HB3 HIS 47 HB3 HIS 47 13.083 -5.193 -4.891 325 HD1 HIS 47 HD1 HIS 47 15.392 -7.917 -3.993 326 HD2 HIS 47 HD2 HIS 47 15.427 -3.761 -4.059 327 HE1 HIS 47 HE1 HIS 47 17.811 -7.259 -3.804 328 HE2 HIS 47 HE2 HIS 47 17.821 -4.751 -4.038 329 H PHE 48 H PHE 48 10.878 -4.005 -2.432 330 HA PHE 48 HA PHE 48 8.548 -5.577 -2.642 331 HB2 PHE 48 HB2 PHE 48 9.030 -2.613 -2.727 332 HB3 PHE 48 HB3 PHE 48 7.423 -3.276 -3.011 333 HD1 PHE 48 HD2 PHE 48 6.609 -4.987 -1.185 334 HD2 PHE 48 HD1 PHE 48 9.630 -2.055 -0.584 335 HE1 PHE 48 HE2 PHE 48 6.230 -5.100 1.244 336 HE2 PHE 48 HE1 PHE 48 9.263 -2.169 1.844 337 HZ PHE 48 HZ PHE 48 7.560 -3.689 2.762 338 H GLN 49 H GLN 49 7.275 -6.097 -4.279 339 HA GLN 49 HA GLN 49 7.934 -5.059 -6.947 340 HB2 GLN 49 HB2 GLN 49 8.801 -7.206 -7.063 341 HB3 GLN 49 HB3 GLN 49 7.612 -7.858 -5.945 342 HG2 GLN 49 HG2 GLN 49 5.901 -7.696 -7.686 343 HG3 GLN 49 HG3 GLN 49 7.103 -7.076 -8.810 344 HE21 GLN 49 HE21 GLN 49 6.857 -8.782 -10.236 345 HE22 GLN 49 HE22 GLN 49 7.408 -10.391 -9.873 346 H TRP 50 H TRP 50 6.252 -3.945 -7.690 347 HA TRP 50 HA TRP 50 3.612 -4.311 -6.647 348 HB2 TRP 50 HB2 TRP 50 4.732 -2.698 -8.942 349 HB3 TRP 50 HB3 TRP 50 3.002 -2.786 -8.635 350 HD1 TRP 50 HD1 TRP 50 5.981 -0.802 -7.720 351 HE1 TRP 50 HE1 TRP 50 5.448 0.782 -5.748 352 HE3 TRP 50 HE3 TRP 50 1.529 -2.833 -6.246 353 HZ2 TRP 50 HZ2 TRP 50 3.405 1.102 -3.830 354 HZ3 TRP 50 HZ3 TRP 50 0.351 -1.834 -4.334 355 HH2 TRP 50 HH2 TRP 50 1.268 0.098 -3.149 356 H GLY 51 H GLY 51 2.422 -6.000 -7.117 357 HA2 GLY 51 HA3 GLY 51 1.067 -7.213 -8.670 358 HA3 GLY 51 HA2 GLY 51 2.291 -6.945 -9.904 359 H GLY 52 H GLY 52 3.079 -7.970 -6.654 360 HA2 GLY 52 HA3 GLY 52 4.094 -10.481 -7.790 361 HA3 GLY 52 HA2 GLY 52 4.630 -9.747 -6.287 362 H GLN 53 H GLN 53 2.366 -9.338 -4.902 363 HA GLN 53 HA GLN 53 0.773 -10.272 -3.599 364 HB2 GLN 53 HB2 GLN 53 -0.522 -10.891 -5.454 365 HB3 GLN 53 HB3 GLN 53 0.606 -12.144 -5.940 366 HG2 GLN 53 HG2 GLN 53 -0.064 -13.522 -4.082 367 HG3 GLN 53 HG3 GLN 53 -1.093 -12.235 -3.458 368 HE21 GLN 53 HE21 GLN 53 -0.706 -14.683 -5.865 369 HE22 GLN 53 HE22 GLN 53 -2.336 -14.658 -6.449 370 H ASN 54 H ASN 54 0.649 -11.669 -1.890 371 HA ASN 54 HA ASN 54 1.291 -13.156 -0.322 372 HB2 ASN 54 HB2 ASN 54 2.574 -14.464 -2.707 373 HB3 ASN 54 HB3 ASN 54 2.787 -15.112 -1.085 374 HD21 ASN 54 HD21 ASN 54 1.726 -17.013 -1.677 375 HD22 ASN 54 HD22 ASN 54 0.007 -17.074 -1.873 376 H PHE 55 H PHE 55 2.726 -10.731 -0.744 377 HA PHE 55 HA PHE 55 5.529 -11.286 -0.355 378 HB2 PHE 55 HB2 PHE 55 5.884 -8.991 -0.462 379 HB3 PHE 55 HB3 PHE 55 4.426 -9.153 -1.426 380 HD1 PHE 55 HD1 PHE 55 2.195 -8.672 -0.294 381 HD2 PHE 55 HD2 PHE 55 5.953 -7.575 1.372 382 HE1 PHE 55 HE1 PHE 55 1.080 -6.992 1.111 383 HE2 PHE 55 HE2 PHE 55 4.844 -5.896 2.785 384 HZ PHE 55 HZ PHE 55 2.404 -5.602 2.656 385 H THR 56 H THR 56 2.724 -10.782 1.592 386 HA THR 56 HA THR 56 3.985 -10.030 3.989 387 HB THR 56 HB THR 56 1.830 -10.876 5.043 388 HG1 THR 56 HG1 THR 56 1.556 -12.248 2.917 389 HG21 THR 56 HG21 THR 56 0.499 -9.050 4.017 390 HG22 THR 56 HG22 THR 56 1.739 -8.890 2.773 391 HG23 THR 56 HG23 THR 56 2.131 -8.553 4.461 392 H GLU 57 H GLU 57 3.822 -13.048 2.381 393 HA GLU 57 HA GLU 57 4.129 -14.664 4.724 394 HB2 GLU 57 HB2 GLU 57 4.244 -16.498 3.291 395 HB3 GLU 57 HB3 GLU 57 3.239 -15.365 2.400 396 HG2 GLU 57 HG2 GLU 57 5.154 -14.726 1.046 397 HG3 GLU 57 HG3 GLU 57 6.163 -15.860 1.945 398 H THR 58 H THR 58 6.175 -12.702 2.843 399 HA THR 58 HA THR 58 8.540 -13.896 4.123 400 HB THR 58 HB THR 58 9.869 -13.158 2.183 401 HG1 THR 58 HG1 THR 58 7.820 -12.776 0.443 402 HG21 THR 58 HG21 THR 58 9.078 -14.803 0.576 403 HG22 THR 58 HG22 THR 58 7.493 -14.827 1.348 404 HG23 THR 58 HG23 THR 58 8.906 -15.440 2.213 405 H ALA 59 H ALA 59 6.531 -11.495 4.479 406 HA ALA 59 HA ALA 59 8.613 -9.482 4.976 407 HB1 ALA 59 HB1 ALA 59 7.045 -8.809 3.201 408 HB2 ALA 59 HB2 ALA 59 5.715 -8.949 4.352 409 HB3 ALA 59 HB3 ALA 59 6.980 -7.745 4.610 410 H GLU 60 H GLU 60 8.595 -8.390 6.870 411 HA GLU 60 HA GLU 60 6.624 -9.155 8.916 412 HB2 GLU 60 HB2 GLU 60 9.397 -8.800 9.868 413 HB3 GLU 60 HB3 GLU 60 8.174 -9.952 10.381 414 HG2 GLU 60 HG2 GLU 60 8.644 -11.289 8.358 415 HG3 GLU 60 HG3 GLU 60 9.942 -10.158 7.955 416 H ASP 61 H ASP 61 6.800 -7.647 10.831 417 HA ASP 61 HA ASP 61 6.562 -5.485 11.592 418 HB2 ASP 61 HB2 ASP 61 9.164 -6.042 11.457 419 HB3 ASP 61 HB3 ASP 61 9.133 -4.746 10.284 420 H ILE 62 H ILE 62 5.010 -5.616 9.501 421 HA ILE 62 HA ILE 62 5.781 -3.755 7.436 422 HB ILE 62 HB ILE 62 3.035 -4.939 7.841 423 HG12 ILE 62 HG13 ILE 62 5.554 -6.206 6.757 424 HG13 ILE 62 3HG1 ILE 62 4.482 -6.820 8.006 425 HG21 ILE 62 HG21 ILE 62 4.604 -3.966 5.458 426 HG22 ILE 62 HG22 ILE 62 3.087 -4.863 5.332 427 HG23 ILE 62 HG23 ILE 62 3.117 -3.294 6.127 428 HD11 ILE 62 HD11 ILE 62 2.774 -7.274 6.356 429 HD12 ILE 62 HD12 ILE 62 3.788 -6.581 5.090 430 HD13 ILE 62 HD13 ILE 62 4.291 -8.058 5.911 431 H ARG 63 H ARG 63 5.847 -1.689 7.991 432 HA ARG 63 HA ARG 63 3.695 -0.522 9.602 433 HB2 ARG 63 HB2 ARG 63 6.575 0.168 9.162 434 HB3 ARG 63 HB3 ARG 63 5.448 1.413 9.663 435 HG2 ARG 63 HG2 ARG 63 6.474 0.648 11.599 436 HG3 ARG 63 HG3 ARG 63 4.864 -0.059 11.595 437 HD2 ARG 63 HD2 ARG 63 6.978 -1.697 10.381 438 HD3 ARG 63 HD3 ARG 63 7.131 -1.429 12.117 439 HE ARG 63 HE ARG 63 4.962 -2.842 10.748 440 HH11 ARG 63 HH12 ARG 63 6.471 -1.806 13.725 441 HH12 ARG 63 HH11 ARG 63 5.534 -2.876 14.725 442 HH21 ARG 63 HH22 ARG 63 3.715 -4.254 12.061 443 HH22 ARG 63 HH21 ARG 63 4.006 -4.295 13.773 444 H PHE 64 H PHE 64 2.222 0.596 8.482 445 HA PHE 64 HA PHE 64 2.906 1.603 5.834 446 HB2 PHE 64 HB2 PHE 64 0.864 0.374 5.918 447 HB3 PHE 64 HB3 PHE 64 0.289 1.302 7.295 448 HD1 PHE 64 HD2 PHE 64 1.870 2.668 4.227 449 HD2 PHE 64 HD1 PHE 64 -1.711 2.125 6.454 450 HE1 PHE 64 HE2 PHE 64 0.706 4.240 2.734 451 HE2 PHE 64 HE1 PHE 64 -2.876 3.678 4.958 452 HZ PHE 64 HZ PHE 64 -1.676 4.736 3.092 453 H HIS 65 H HIS 65 3.310 3.637 5.396 454 HA HIS 65 HA HIS 65 2.494 5.691 7.352 455 HB2 HIS 65 HB2 HIS 65 5.009 5.115 7.247 456 HB3 HIS 65 HB3 HIS 65 4.993 5.919 5.680 457 HD1 HIS 65 HD1 HIS 65 3.922 6.741 9.249 458 HD2 HIS 65 HD2 HIS 65 5.579 8.547 5.893 459 HE1 HIS 65 HE1 HIS 65 4.409 9.109 9.926 460 HE2 HIS 65 HE2 HIS 65 5.590 10.119 7.950 461 HA PRO 66 HA PRO 66 0.255 6.529 3.431 462 HB2 PRO 66 HB2 PRO 66 -1.507 8.197 4.718 463 HB3 PRO 66 HB3 PRO 66 -1.714 6.467 4.511 464 HG2 PRO 66 HG2 PRO 66 -0.706 7.970 6.869 465 HG3 PRO 66 HG3 PRO 66 -1.792 6.571 6.812 466 HD2 PRO 66 HD2 PRO 66 0.796 6.310 7.460 467 HD3 PRO 66 HD3 PRO 66 -0.037 5.071 6.494 468 H LYS 67 H LYS 67 1.225 8.821 5.825 469 HA LYS 67 HA LYS 67 1.652 10.770 3.677 470 HB2 LYS 67 HB2 LYS 67 0.520 11.297 6.418 471 HB3 LYS 67 HB3 LYS 67 1.056 12.563 5.321 472 HG2 LYS 67 HG2 LYS 67 -1.000 12.574 4.489 473 HG3 LYS 67 HG3 LYS 67 -0.627 10.998 3.788 474 HD2 LYS 67 HD2 LYS 67 -1.598 9.847 5.605 475 HD3 LYS 67 HD3 LYS 67 -1.716 11.326 6.569 476 HE2 LYS 67 HE2 LYS 67 -3.220 10.744 4.017 477 HE3 LYS 67 HE3 LYS 67 -3.892 10.691 5.648 478 HZ1 LYS 67 HZ1 LYS 67 -4.471 12.768 4.652 479 HZ2 LYS 67 HZ2 LYS 67 -2.865 13.086 4.216 480 HZ3 LYS 67 HZ3 LYS 67 -3.310 13.079 5.849 481 H GLU 68 H GLU 68 3.802 10.278 3.524 482 HA GLU 68 HA GLU 68 5.605 10.408 5.705 483 HB2 GLU 68 HB2 GLU 68 6.372 9.205 3.829 484 HB3 GLU 68 HB3 GLU 68 5.974 10.510 2.721 485 HG2 GLU 68 HG2 GLU 68 7.812 11.800 3.405 486 HG3 GLU 68 HG3 GLU 68 8.086 10.799 4.833 487 H GLY 69 H GLY 69 5.852 12.153 6.873 488 HA2 GLY 69 HA3 GLY 69 6.286 14.300 7.499 489 HA3 GLY 69 HA2 GLY 69 7.105 14.465 5.956 490 H ALA 70 H ALA 70 6.453 16.560 5.657 491 HA ALA 70 HA ALA 70 3.633 17.238 5.648 492 HB1 ALA 70 HB1 ALA 70 6.046 18.869 4.853 493 HB2 ALA 70 HB2 ALA 70 4.401 19.481 5.027 494 HB3 ALA 70 HB3 ALA 70 5.269 18.872 6.436 495 H ALA 71 H ALA 71 5.574 15.596 3.632 496 HA ALA 71 HA ALA 71 4.690 16.715 1.110 497 HB1 ALA 71 HB1 ALA 71 6.317 14.244 1.736 498 HB2 ALA 71 HB2 ALA 71 6.000 14.880 0.117 499 HB3 ALA 71 HB3 ALA 71 6.943 15.828 1.267 500 H GLU 72 H GLU 72 3.701 14.407 3.380 501 HA GLU 72 HA GLU 72 2.085 12.847 3.523 502 HB2 GLU 72 HB2 GLU 72 0.825 14.588 1.403 503 HB3 GLU 72 HB3 GLU 72 -0.018 13.309 2.268 504 HG2 GLU 72 HG2 GLU 72 0.587 14.519 4.393 505 HG3 GLU 72 HG3 GLU 72 1.109 15.859 3.376 506 H GLN 73 H GLN 73 4.195 11.989 2.039 507 HA GLN 73 HA GLN 73 3.139 10.712 -0.358 508 HB2 GLN 73 HB2 GLN 73 5.901 10.674 0.875 509 HB3 GLN 73 HB3 GLN 73 5.468 9.871 -0.627 510 HG2 GLN 73 HG2 GLN 73 5.229 12.832 -0.159 511 HG3 GLN 73 HG3 GLN 73 6.608 12.050 -0.928 512 HE21 GLN 73 HE21 GLN 73 6.413 11.261 -2.989 513 HE22 GLN 73 HE22 GLN 73 5.070 11.623 -4.012 514 HA PRO 74 HA PRO 74 2.159 7.188 2.237 515 HB2 PRO 74 HB2 PRO 74 0.854 5.756 0.353 516 HB3 PRO 74 HB3 PRO 74 0.120 7.139 1.170 517 HG2 PRO 74 HG2 PRO 74 1.399 7.013 -1.534 518 HG3 PRO 74 HG3 PRO 74 -0.103 7.819 -1.042 519 HD2 PRO 74 HD2 PRO 74 2.250 9.145 -1.353 520 HD3 PRO 74 HD3 PRO 74 1.009 9.644 -0.190 521 H ILE 75 H ILE 75 3.877 5.988 2.706 522 HA ILE 75 HA ILE 75 4.900 4.244 0.587 523 HB ILE 75 HB ILE 75 7.155 4.570 1.075 524 HG12 ILE 75 HG13 ILE 75 7.590 6.325 3.119 525 HG13 ILE 75 3HG1 ILE 75 6.196 5.435 3.723 526 HG21 ILE 75 HG21 ILE 75 7.556 7.004 0.966 527 HG22 ILE 75 HG22 ILE 75 6.308 6.451 -0.153 528 HG23 ILE 75 HG23 ILE 75 5.853 7.270 1.341 529 HD11 ILE 75 HD11 ILE 75 8.849 4.292 2.880 530 HD12 ILE 75 HD12 ILE 75 8.188 4.374 4.513 531 HD13 ILE 75 HD13 ILE 75 7.441 3.322 3.307 532 H LEU 76 H LEU 76 5.384 2.193 1.226 533 HA LEU 76 HA LEU 76 4.640 1.523 3.997 534 HB2 LEU 76 HB2 LEU 76 3.040 0.757 2.306 535 HB3 LEU 76 HB3 LEU 76 4.320 -0.068 1.447 536 HG LEU 76 HG LEU 76 2.649 -1.369 2.997 537 HD11 LEU 76 HD11 LEU 76 5.615 -1.909 2.996 538 HD12 LEU 76 HD12 LEU 76 4.347 -3.088 3.330 539 HD13 LEU 76 HD13 LEU 76 4.480 -2.369 1.727 540 HD21 LEU 76 HD21 LEU 76 4.797 -0.597 4.953 541 HD22 LEU 76 HD22 LEU 76 3.137 0.005 4.975 542 HD23 LEU 76 HD23 LEU 76 3.457 -1.707 5.229 543 H ARG 77 H ARG 77 6.258 0.724 5.216 544 HA ARG 77 HA ARG 77 8.476 -0.567 3.782 545 HB2 ARG 77 HB2 ARG 77 10.074 0.410 5.129 546 HB3 ARG 77 HB3 ARG 77 8.915 1.713 4.942 547 HG2 ARG 77 HG2 ARG 77 8.902 -0.118 7.320 548 HG3 ARG 77 HG3 ARG 77 9.893 1.330 7.239 549 HD2 ARG 77 HD2 ARG 77 6.893 1.181 7.102 550 HD3 ARG 77 HD3 ARG 77 7.865 1.818 8.420 551 HE ARG 77 HE ARG 77 7.431 3.102 5.820 552 HH11 ARG 77 HH12 ARG 77 8.831 3.177 9.029 553 HH12 ARG 77 HH11 ARG 77 9.047 4.902 9.028 554 HH21 ARG 77 HH22 ARG 77 7.746 5.385 5.823 555 HH22 ARG 77 HH21 ARG 77 8.430 6.148 7.220 556 H ALA 78 H ALA 78 9.263 -2.452 4.554 557 HA ALA 78 HA ALA 78 8.391 -3.552 7.082 558 HB1 ALA 78 HB1 ALA 78 7.301 -5.511 6.133 559 HB2 ALA 78 HB2 ALA 78 6.469 -4.042 5.634 560 HB3 ALA 78 HB3 ALA 78 7.537 -4.875 4.507 561 H ARG 79 H ARG 79 9.334 -5.791 7.375 562 HA ARG 79 HA ARG 79 12.053 -5.801 6.344 563 HB2 ARG 79 HB2 ARG 79 10.980 -8.025 8.045 564 HB3 ARG 79 HB3 ARG 79 12.590 -7.329 8.020 565 HG2 ARG 79 HG2 ARG 79 10.121 -6.223 9.329 566 HG3 ARG 79 HG3 ARG 79 11.601 -6.792 10.101 567 HD2 ARG 79 HD2 ARG 79 12.808 -4.927 8.920 568 HD3 ARG 79 HD3 ARG 79 11.222 -4.333 8.421 569 HE ARG 79 HE ARG 79 10.715 -4.146 10.848 570 HH11 ARG 79 HH12 ARG 79 14.022 -4.076 9.717 571 HH12 ARG 79 HH11 ARG 79 14.606 -3.157 11.068 572 HH21 ARG 79 HH22 ARG 79 11.460 -2.930 12.619 573 HH22 ARG 79 HH21 ARG 79 13.139 -2.494 12.722 574 H LEU 80 H LEU 80 12.441 -6.751 4.468 575 HA LEU 80 HA LEU 80 10.647 -8.855 3.527 576 HB2 LEU 80 HB2 LEU 80 12.427 -6.867 2.208 577 HB3 LEU 80 HB3 LEU 80 12.131 -8.385 1.383 578 HG LEU 80 HG LEU 80 9.866 -7.934 1.100 579 HD11 LEU 80 HD11 LEU 80 8.641 -6.150 2.204 580 HD12 LEU 80 HD12 LEU 80 9.308 -7.315 3.352 581 HD13 LEU 80 HD13 LEU 80 10.088 -5.746 3.130 582 HD21 LEU 80 HD21 LEU 80 9.748 -5.673 0.136 583 HD22 LEU 80 HD22 LEU 80 11.327 -5.333 0.844 584 HD23 LEU 80 HD23 LEU 80 11.162 -6.593 -0.384 585 H ARG 81 H ARG 81 11.223 -10.868 3.426 586 HA ARG 81 HA ARG 81 13.876 -11.664 4.264 587 HB2 ARG 81 HB2 ARG 81 12.019 -12.829 5.229 588 HB3 ARG 81 HB3 ARG 81 11.350 -13.205 3.649 589 HG2 ARG 81 HG2 ARG 81 14.051 -14.236 4.093 590 HG3 ARG 81 HG3 ARG 81 12.832 -14.891 5.183 591 HD2 ARG 81 HD2 ARG 81 11.434 -15.285 3.068 592 HD3 ARG 81 HD3 ARG 81 12.940 -15.002 2.189 593 HE ARG 81 HE ARG 81 13.715 -17.043 2.869 594 HH11 ARG 81 HH12 ARG 81 10.842 -16.252 4.728 595 HH12 ARG 81 HH11 ARG 81 10.713 -17.838 5.433 596 HH21 ARG 81 HH22 ARG 81 13.520 -19.133 3.776 597 HH22 ARG 81 HH21 ARG 81 12.218 -19.477 4.884 598 H ASP 82 H ASP 82 15.367 -12.792 3.072 599 HA ASP 82 HA ASP 82 14.993 -12.654 0.164 600 HB2 ASP 82 HB2 ASP 82 17.254 -12.360 -0.071 601 HB3 ASP 82 HB3 ASP 82 17.057 -11.699 1.549 602 H CYS 83 H CYS 83 16.252 -14.491 -1.038 603 HA CYS 83 HA CYS 83 14.910 -16.877 -0.555 604 HB2 CYS 83 HB2 CYS 83 15.909 -16.265 -2.718 605 HB3 CYS 83 HB3 CYS 83 17.514 -16.496 -2.040 606 HG CYS 83 HG CYS 83 16.570 -19.296 -1.386 607 H ASN 84 H ASN 84 17.917 -15.744 0.830 608 HA ASN 84 HA ASN 84 18.774 -18.359 1.684 609 HB2 ASN 84 HB2 ASN 84 20.360 -16.477 1.321 610 HB3 ASN 84 HB3 ASN 84 19.663 -15.659 2.714 611 HD21 ASN 84 HD21 ASN 84 21.672 -18.253 1.625 612 HD22 ASN 84 HD22 ASN 84 22.340 -18.665 3.166 613 H GLY 85 H GLY 85 16.762 -15.835 2.973 614 HA2 GLY 85 HA3 GLY 85 15.062 -16.530 4.570 615 HA3 GLY 85 HA2 GLY 85 16.271 -17.556 5.321 616 H GLU 86 H GLU 86 16.706 -14.173 4.333 617 HA GLU 86 HA GLU 86 17.204 -13.548 7.169 618 HB2 GLU 86 HB2 GLU 86 18.608 -11.738 6.464 619 HB3 GLU 86 HB3 GLU 86 19.085 -13.147 5.526 620 HG2 GLU 86 HG2 GLU 86 17.955 -12.335 3.594 621 HG3 GLU 86 HG3 GLU 86 17.207 -11.032 4.510 622 H PHE 87 H PHE 87 16.976 -10.824 7.076 623 HA PHE 87 HA PHE 87 14.399 -10.185 5.921 624 HB2 PHE 87 HB2 PHE 87 13.509 -9.305 8.063 625 HB3 PHE 87 HB3 PHE 87 13.753 -11.046 8.114 626 HD1 PHE 87 HD1 PHE 87 15.698 -11.971 9.373 627 HD2 PHE 87 HD2 PHE 87 14.618 -7.860 9.558 628 HE1 PHE 87 HE1 PHE 87 17.023 -11.721 11.432 629 HE2 PHE 87 HE2 PHE 87 15.946 -7.599 11.614 630 HZ PHE 87 HZ PHE 87 17.150 -9.532 12.552 631 H HIS 88 H HIS 88 14.400 -8.193 5.170 632 HA HIS 88 HA HIS 88 16.309 -6.248 6.253 633 HB2 HIS 88 HB2 HIS 88 16.747 -7.651 3.872 634 HB3 HIS 88 HB3 HIS 88 16.159 -6.074 3.366 635 HD1 HIS 88 HD1 HIS 88 19.159 -7.810 4.424 636 HD2 HIS 88 HD2 HIS 88 17.773 -3.883 4.495 637 HE1 HIS 88 HE1 HIS 88 21.198 -6.368 4.765 638 HE2 HIS 88 HE2 HIS 88 20.313 -4.012 4.975 639 H ASP 89 H ASP 89 15.206 -4.477 6.736 640 HA ASP 89 HA ASP 89 12.536 -4.097 5.879 641 HB2 ASP 89 HB2 ASP 89 12.688 -1.901 7.039 642 HB3 ASP 89 HB3 ASP 89 13.190 -3.258 8.037 643 H ARG 90 H ARG 90 11.915 -3.537 3.957 644 HA ARG 90 HA ARG 90 13.483 -1.500 2.491 645 HB2 ARG 90 HB2 ARG 90 11.646 -3.644 1.392 646 HB3 ARG 90 HB3 ARG 90 12.514 -2.452 0.432 647 HG2 ARG 90 HG2 ARG 90 13.781 -4.573 2.151 648 HG3 ARG 90 HG3 ARG 90 13.595 -4.641 0.398 649 HD2 ARG 90 HD2 ARG 90 14.967 -2.590 0.212 650 HD3 ARG 90 HD3 ARG 90 15.209 -2.625 1.959 651 HE ARG 90 HE ARG 90 15.971 -5.054 0.599 652 HH11 ARG 90 HH12 ARG 90 17.035 -1.869 1.585 653 HH12 ARG 90 HH11 ARG 90 18.721 -2.312 1.649 654 HH21 ARG 90 HH22 ARG 90 18.169 -5.650 0.671 655 HH22 ARG 90 HH21 ARG 90 19.369 -4.472 1.143 656 H ASP 91 H ASP 91 11.904 -0.293 0.878 657 HA ASP 91 HA ASP 91 9.309 0.124 2.140 658 HB2 ASP 91 HB2 ASP 91 9.554 2.570 2.070 659 HB3 ASP 91 HB3 ASP 91 10.719 1.836 3.164 660 H VAL 92 H VAL 92 7.749 0.911 0.768 661 HA VAL 92 HA VAL 92 8.550 1.056 -2.056 662 HB VAL 92 HB VAL 92 7.552 -1.160 -1.475 663 HG11 VAL 92 HG11 VAL 92 5.035 0.431 -1.077 664 HG12 VAL 92 HG12 VAL 92 5.142 -1.328 -1.160 665 HG13 VAL 92 HG13 VAL 92 5.919 -0.459 0.164 666 HG21 VAL 92 HG21 VAL 92 7.587 -0.369 -3.731 667 HG22 VAL 92 HG22 VAL 92 6.090 -1.251 -3.422 668 HG23 VAL 92 HG23 VAL 92 6.079 0.513 -3.477 669 H ASN 93 H ASN 93 7.238 2.279 -3.393 670 HA ASN 93 HA ASN 93 6.017 4.529 -2.026 671 HB2 ASN 93 HB2 ASN 93 6.882 3.986 -4.853 672 HB3 ASN 93 HB3 ASN 93 5.870 5.371 -4.473 673 HD21 ASN 93 HD21 ASN 93 8.672 5.130 -5.447 674 HD22 ASN 93 HD22 ASN 93 9.608 6.078 -4.339 675 H LEU 94 H LEU 94 3.966 4.164 -1.391 676 HA LEU 94 HA LEU 94 2.184 2.504 -2.909 677 HB2 LEU 94 HB2 LEU 94 1.622 4.310 -0.561 678 HB3 LEU 94 HB3 LEU 94 0.473 3.188 -1.261 679 HG LEU 94 HG LEU 94 2.858 2.643 0.447 680 HD11 LEU 94 HD11 LEU 94 0.093 1.464 0.324 681 HD12 LEU 94 HD12 LEU 94 1.311 1.161 1.562 682 HD13 LEU 94 HD13 LEU 94 0.601 2.767 1.398 683 HD21 LEU 94 HD21 LEU 94 3.284 1.307 -1.549 684 HD22 LEU 94 HD22 LEU 94 2.815 0.286 -0.191 685 HD23 LEU 94 HD23 LEU 94 1.650 0.647 -1.465 686 H ASN 95 H ASN 95 3.277 5.502 -3.469 687 HA ASN 95 HA ASN 95 1.033 7.036 -4.146 688 HB2 ASN 95 HB2 ASN 95 3.697 7.039 -5.591 689 HB3 ASN 95 HB3 ASN 95 2.516 8.344 -5.560 690 HD21 ASN 95 HD21 ASN 95 5.038 6.736 -3.870 691 HD22 ASN 95 HD22 ASN 95 5.179 7.851 -2.572 692 H ARG 96 H ARG 96 2.398 4.259 -5.564 693 HA ARG 96 HA ARG 96 1.581 4.555 -8.243 694 HB2 ARG 96 HB2 ARG 96 2.338 2.231 -6.521 695 HB3 ARG 96 HB3 ARG 96 1.646 1.939 -8.107 696 HG2 ARG 96 HG2 ARG 96 4.090 1.864 -8.125 697 HG3 ARG 96 HG3 ARG 96 3.457 3.136 -9.165 698 HD2 ARG 96 HD2 ARG 96 4.232 3.787 -6.355 699 HD3 ARG 96 HD3 ARG 96 5.486 3.592 -7.578 700 HE ARG 96 HE ARG 96 3.293 5.417 -8.150 701 HH11 ARG 96 HH12 ARG 96 6.661 4.964 -7.293 702 HH12 ARG 96 HH11 ARG 96 7.093 6.620 -7.618 703 HH21 ARG 96 HH22 ARG 96 3.860 7.575 -8.602 704 HH22 ARG 96 HH21 ARG 96 5.511 8.097 -8.381 705 H ILE 97 H ILE 97 -0.122 3.814 -5.352 706 HA ILE 97 HA ILE 97 -2.348 2.504 -6.644 707 HB ILE 97 HB ILE 97 -2.086 3.534 -3.816 708 HG12 ILE 97 HG13 ILE 97 -1.918 0.648 -4.557 709 HG13 ILE 97 3HG1 ILE 97 -0.505 1.662 -4.832 710 HG21 ILE 97 HG21 ILE 97 -4.408 3.220 -4.489 711 HG22 ILE 97 HG22 ILE 97 -4.040 1.583 -5.035 712 HG23 ILE 97 HG23 ILE 97 -3.925 1.988 -3.322 713 HD11 ILE 97 HD11 ILE 97 -0.445 0.500 -2.679 714 HD12 ILE 97 HD12 ILE 97 -0.434 2.258 -2.506 715 HD13 ILE 97 HD13 ILE 97 -1.916 1.350 -2.199 716 H GLN 98 H GLN 98 -4.085 3.450 -7.447 717 HA GLN 98 HA GLN 98 -4.592 6.277 -6.812 718 HB2 GLN 98 HB2 GLN 98 -5.169 4.793 -9.380 719 HB3 GLN 98 HB3 GLN 98 -5.528 6.480 -9.063 720 HG2 GLN 98 HG2 GLN 98 -3.101 6.886 -8.776 721 HG3 GLN 98 HG3 GLN 98 -2.812 5.213 -9.263 722 HE21 GLN 98 HE21 GLN 98 -3.240 4.598 -11.403 723 HE22 GLN 98 HE22 GLN 98 -3.372 5.777 -12.669 724 H ASN 99 H ASN 99 -6.935 6.862 -7.220 725 HA ASN 99 HA ASN 99 -8.659 4.685 -6.226 726 HB2 ASN 99 HB2 ASN 99 -8.511 6.406 -4.578 727 HB3 ASN 99 HB3 ASN 99 -8.756 7.670 -5.779 728 HD21 ASN 99 HD21 ASN 99 -10.804 8.131 -6.491 729 HD22 ASN 99 HD22 ASN 99 -12.221 7.520 -5.720 730 H VAL 100 H VAL 100 -10.124 3.961 -7.602 731 HA VAL 100 HA VAL 100 -11.008 5.734 -9.786 732 HB VAL 100 HB VAL 100 -11.013 2.710 -9.748 733 HG11 VAL 100 HG11 VAL 100 -11.586 2.893 -12.118 734 HG12 VAL 100 HG12 VAL 100 -12.813 3.646 -11.100 735 HG13 VAL 100 HG13 VAL 100 -11.652 4.649 -11.967 736 HG21 VAL 100 HG21 VAL 100 -9.215 2.864 -11.396 737 HG22 VAL 100 HG22 VAL 100 -9.214 4.620 -11.234 738 HG23 VAL 100 HG23 VAL 100 -8.746 3.610 -9.867 739 H ASN 101 H ASN 101 -12.726 6.682 -8.818 740 HA ASN 101 HA ASN 101 -14.846 6.991 -8.098 741 HB2 ASN 101 HB2 ASN 101 -15.265 5.581 -10.179 742 HB3 ASN 101 HB3 ASN 101 -15.476 4.217 -9.083 743 HD21 ASN 101 HD21 ASN 101 -17.641 3.961 -9.683 744 HD22 ASN 101 HD22 ASN 101 -18.872 5.057 -9.161 745 H GLY 102 H GLY 102 -12.862 5.584 -6.356 746 HA2 GLY 102 HA3 GLY 102 -13.348 5.388 -3.986 747 HA3 GLY 102 HA2 GLY 102 -14.858 4.612 -4.421 748 H ARG 103 H ARG 103 -12.035 3.638 -6.159 749 HA ARG 103 HA ARG 103 -11.777 1.293 -4.412 750 HB2 ARG 103 HB2 ARG 103 -11.817 -0.228 -6.194 751 HB3 ARG 103 HB3 ARG 103 -13.124 0.886 -6.561 752 HG2 ARG 103 HG2 ARG 103 -11.594 2.087 -8.104 753 HG3 ARG 103 HG3 ARG 103 -10.386 0.835 -7.805 754 HD2 ARG 103 HD2 ARG 103 -11.530 0.301 -9.835 755 HD3 ARG 103 HD3 ARG 103 -12.035 -0.852 -8.599 756 HE ARG 103 HE ARG 103 -13.780 1.413 -8.792 757 HH11 ARG 103 HH12 ARG 103 -13.041 -1.753 -10.100 758 HH12 ARG 103 HH11 ARG 103 -14.634 -1.990 -10.765 759 HH21 ARG 103 HH22 ARG 103 -15.876 1.100 -9.682 760 HH22 ARG 103 HH21 ARG 103 -16.227 -0.355 -10.560 761 H LEU 104 H LEU 104 -9.712 0.562 -4.093 762 HA LEU 104 HA LEU 104 -7.584 2.335 -4.955 763 HB2 LEU 104 HB2 LEU 104 -7.602 -0.041 -3.091 764 HB3 LEU 104 HB3 LEU 104 -6.187 0.942 -3.426 765 HG LEU 104 HG LEU 104 -8.723 1.842 -2.063 766 HD11 LEU 104 HD11 LEU 104 -7.248 2.159 -0.128 767 HD12 LEU 104 HD12 LEU 104 -7.301 0.477 -0.653 768 HD13 LEU 104 HD13 LEU 104 -5.908 1.481 -1.051 769 HD21 LEU 104 HD21 LEU 104 -6.230 3.423 -2.683 770 HD22 LEU 104 HD22 LEU 104 -7.793 3.614 -3.481 771 HD23 LEU 104 HD23 LEU 104 -7.627 3.987 -1.766 772 H VAL 105 H VAL 105 -6.311 1.969 -6.634 773 HA VAL 105 HA VAL 105 -5.944 -0.802 -7.562 774 HB VAL 105 HB VAL 105 -7.484 0.258 -9.104 775 HG11 VAL 105 HG11 VAL 105 -6.957 2.588 -8.691 776 HG12 VAL 105 HG12 VAL 105 -5.384 2.389 -9.461 777 HG13 VAL 105 HG13 VAL 105 -6.858 2.233 -10.415 778 HG21 VAL 105 HG21 VAL 105 -6.222 0.001 -11.201 779 HG22 VAL 105 HG22 VAL 105 -4.717 0.008 -10.279 780 HG23 VAL 105 HG23 VAL 105 -5.886 -1.295 -10.053 781 H PHE 106 H PHE 106 -3.908 -1.403 -7.821 782 HA PHE 106 HA PHE 106 -1.789 0.466 -7.203 783 HB2 PHE 106 HB2 PHE 106 -0.414 -1.420 -6.873 784 HB3 PHE 106 HB3 PHE 106 -2.001 -1.941 -6.317 785 HD1 PHE 106 HD1 PHE 106 -3.479 -3.090 -8.221 786 HD2 PHE 106 HD2 PHE 106 0.769 -2.826 -8.233 787 HE1 PHE 106 HE1 PHE 106 -3.369 -4.998 -9.768 788 HE2 PHE 106 HE2 PHE 106 0.885 -4.737 -9.777 789 HZ PHE 106 HZ PHE 106 -1.186 -5.822 -10.549 790 H GLN 107 H GLN 107 -0.064 0.992 -8.496 791 HA GLN 107 HA GLN 107 1.209 1.338 -10.329 792 HB2 GLN 107 HB2 GLN 107 1.073 -1.129 -10.668 793 HB3 GLN 107 HB3 GLN 107 -0.358 -0.881 -11.659 794 HG2 GLN 107 HG2 GLN 107 0.978 0.445 -13.228 795 HG3 GLN 107 HG3 GLN 107 2.408 0.152 -12.242 796 HE21 GLN 107 HE21 GLN 107 -0.083 -2.235 -12.782 797 HE22 GLN 107 HE22 GLN 107 0.864 -3.288 -13.780 Start of MODEL 12 1 H MET 1 H MET 1 -2.713 12.949 -7.777 2 HA MET 1 HA MET 1 0.226 12.678 -7.675 3 HB2 MET 1 HB2 MET 1 -0.515 14.279 -5.972 4 HB3 MET 1 HB3 MET 1 -1.719 13.133 -5.399 5 HG2 MET 1 HG2 MET 1 0.220 13.186 -3.939 6 HG3 MET 1 HG3 MET 1 0.041 11.606 -4.701 7 HE1 MET 1 HE1 MET 1 2.726 12.535 -3.248 8 HE2 MET 1 HE2 MET 1 2.523 10.967 -4.031 9 HE3 MET 1 HE3 MET 1 3.928 11.961 -4.404 10 H SER 2 H SER 2 -2.363 11.421 -5.639 11 HA SER 2 HA SER 2 -2.396 8.808 -6.814 12 HB2 SER 2 HB2 SER 2 -1.258 9.010 -4.014 13 HB3 SER 2 HB3 SER 2 -1.368 7.576 -5.034 14 HG SER 2 HG SER 2 0.045 9.088 -6.479 15 H TYR 3 H TYR 3 -3.555 7.313 -4.917 16 HA TYR 3 HA TYR 3 -6.080 8.458 -4.501 17 HB2 TYR 3 HB2 TYR 3 -6.622 6.516 -3.246 18 HB3 TYR 3 HB3 TYR 3 -5.436 5.977 -4.430 19 HD1 TYR 3 HD1 TYR 3 -2.994 5.778 -3.648 20 HD2 TYR 3 HD2 TYR 3 -6.274 6.156 -0.967 21 HE1 TYR 3 HE1 TYR 3 -1.599 4.891 -1.830 22 HE2 TYR 3 HE2 TYR 3 -4.895 5.276 0.861 23 HH TYR 3 HH TYR 3 -2.888 3.846 1.117 24 H ALA 4 H ALA 4 -3.209 8.375 -2.522 25 HA ALA 4 HA ALA 4 -4.139 9.183 -0.053 26 HB1 ALA 4 HB1 ALA 4 -1.516 9.943 -1.322 27 HB2 ALA 4 HB2 ALA 4 -1.885 9.944 0.403 28 HB3 ALA 4 HB3 ALA 4 -1.853 8.424 -0.491 29 H ASP 5 H ASP 5 -3.779 11.043 -2.945 30 HA ASP 5 HA ASP 5 -3.575 13.635 -1.996 31 HB2 ASP 5 HB2 ASP 5 -3.424 13.184 -4.353 32 HB3 ASP 5 HB3 ASP 5 -5.064 12.544 -4.388 33 H SER 6 H SER 6 -6.356 11.505 -2.091 34 HA SER 6 HA SER 6 -7.836 13.487 -0.512 35 HB2 SER 6 HB2 SER 6 -8.981 11.966 -2.868 36 HB3 SER 6 HB3 SER 6 -9.905 12.991 -1.769 37 HG SER 6 HG SER 6 -7.662 13.997 -3.176 38 H SER 7 H SER 7 -6.412 11.187 0.384 39 HA SER 7 HA SER 7 -8.639 9.415 1.155 40 HB2 SER 7 HB2 SER 7 -7.049 7.620 1.408 41 HB3 SER 7 HB3 SER 7 -6.795 8.352 -0.177 42 HG SER 7 HG SER 7 -5.285 9.598 1.670 43 H ARG 8 H ARG 8 -8.592 8.526 3.285 44 HA ARG 8 HA ARG 8 -6.927 9.806 5.296 45 HB2 ARG 8 HB2 ARG 8 -8.718 10.645 6.613 46 HB3 ARG 8 HB3 ARG 8 -9.037 11.215 4.980 47 HG2 ARG 8 HG2 ARG 8 -10.357 8.795 5.089 48 HG3 ARG 8 HG3 ARG 8 -10.619 9.489 6.689 49 HD2 ARG 8 HD2 ARG 8 -12.380 10.143 5.120 50 HD3 ARG 8 HD3 ARG 8 -11.455 11.536 5.683 51 HE ARG 8 HE ARG 8 -11.061 10.258 3.057 52 HH11 ARG 8 HH12 ARG 8 -11.147 13.067 5.134 53 HH12 ARG 8 HH11 ARG 8 -10.770 14.184 3.857 54 HH21 ARG 8 HH22 ARG 8 -10.551 11.736 1.359 55 HH22 ARG 8 HH21 ARG 8 -10.440 13.437 1.714 56 H ASN 9 H ASN 9 -7.496 8.761 7.489 57 HA ASN 9 HA ASN 9 -7.387 6.840 8.708 58 HB2 ASN 9 HB2 ASN 9 -9.896 6.604 7.104 59 HB3 ASN 9 HB3 ASN 9 -9.385 5.220 8.073 60 HD21 ASN 9 HD21 ASN 9 -10.740 8.360 8.087 61 HD22 ASN 9 HD22 ASN 9 -11.016 8.478 9.790 62 H ALA 10 H ALA 10 -5.730 6.868 6.397 63 HA ALA 10 HA ALA 10 -5.893 4.231 5.225 64 HB1 ALA 10 HB1 ALA 10 -5.225 6.242 3.917 65 HB2 ALA 10 HB2 ALA 10 -3.741 6.304 4.866 66 HB3 ALA 10 HB3 ALA 10 -4.070 4.913 3.832 67 H VAL 11 H VAL 11 -5.214 2.552 6.319 68 HA VAL 11 HA VAL 11 -2.552 2.563 7.489 69 HB VAL 11 HB VAL 11 -3.108 1.606 9.586 70 HG11 VAL 11 HG11 VAL 11 -4.343 3.372 10.731 71 HG12 VAL 11 HG12 VAL 11 -3.135 3.996 9.605 72 HG13 VAL 11 HG13 VAL 11 -4.846 4.018 9.167 73 HG21 VAL 11 HG21 VAL 11 -5.979 1.621 8.696 74 HG22 VAL 11 HG22 VAL 11 -4.935 0.219 8.973 75 HG23 VAL 11 HG23 VAL 11 -5.431 1.236 10.331 76 H LEU 12 H LEU 12 -2.262 0.226 8.457 77 HA LEU 12 HA LEU 12 -3.084 -1.577 6.310 78 HB2 LEU 12 HB2 LEU 12 -0.625 -1.024 7.605 79 HB3 LEU 12 HB3 LEU 12 -1.072 -2.678 7.965 80 HG LEU 12 HG LEU 12 -1.091 -3.282 5.664 81 HD11 LEU 12 HD11 LEU 12 -0.813 -0.335 5.072 82 HD12 LEU 12 HD12 LEU 12 -0.715 -1.626 3.873 83 HD13 LEU 12 HD13 LEU 12 -2.217 -1.350 4.750 84 HD21 LEU 12 HD21 LEU 12 1.122 -3.122 6.679 85 HD22 LEU 12 HD22 LEU 12 1.178 -2.736 4.958 86 HD23 LEU 12 HD23 LEU 12 1.246 -1.442 6.156 87 H THR 13 H THR 13 -3.894 -3.588 6.763 88 HA THR 13 HA THR 13 -4.596 -4.188 9.549 89 HB THR 13 HB THR 13 -6.451 -4.532 7.175 90 HG1 THR 13 HG1 THR 13 -5.856 -2.325 8.589 91 HG21 THR 13 HG21 THR 13 -6.974 -4.722 10.150 92 HG22 THR 13 HG22 THR 13 -6.843 -6.090 9.046 93 HG23 THR 13 HG23 THR 13 -8.167 -4.937 8.870 94 H ASN 14 H ASN 14 -5.099 -6.482 9.871 95 HA ASN 14 HA ASN 14 -4.848 -8.729 9.588 96 HB2 ASN 14 HB2 ASN 14 -5.374 -7.926 7.048 97 HB3 ASN 14 HB3 ASN 14 -3.768 -8.617 6.846 98 HD21 ASN 14 HD21 ASN 14 -7.088 -9.266 7.492 99 HD22 ASN 14 HD22 ASN 14 -6.977 -10.991 7.443 100 H GLY 15 H GLY 15 -2.585 -6.547 9.819 101 HA2 GLY 15 HA3 GLY 15 -0.454 -6.913 10.764 102 HA3 GLY 15 HA2 GLY 15 -0.457 -8.533 10.084 103 H GLY 16 H GLY 16 -1.372 -5.851 8.123 104 HA2 GLY 16 HA3 GLY 16 -0.012 -4.573 6.657 105 HA3 GLY 16 HA2 GLY 16 1.304 -5.702 6.940 106 H ARG 17 H ARG 17 -1.848 -6.935 6.304 107 HA ARG 17 HA ARG 17 -0.897 -7.840 3.679 108 HB2 ARG 17 HB2 ARG 17 -3.210 -9.079 5.136 109 HB3 ARG 17 HB3 ARG 17 -2.153 -9.795 3.927 110 HG2 ARG 17 HG2 ARG 17 -0.306 -9.578 5.697 111 HG3 ARG 17 HG3 ARG 17 -1.622 -9.310 6.833 112 HD2 ARG 17 HD2 ARG 17 -1.000 -11.650 6.823 113 HD3 ARG 17 HD3 ARG 17 -2.627 -11.446 6.174 114 HE ARG 17 HE ARG 17 -0.749 -11.431 4.064 115 HH11 ARG 17 HH12 ARG 17 -2.129 -13.636 6.402 116 HH12 ARG 17 HH11 ARG 17 -1.998 -15.020 5.356 117 HH21 ARG 17 HH22 ARG 17 -0.614 -13.229 2.679 118 HH22 ARG 17 HH21 ARG 17 -1.171 -14.779 3.218 119 H THR 18 H THR 18 -3.187 -5.870 5.257 120 HA THR 18 HA THR 18 -4.671 -5.572 2.734 121 HB THR 18 HB THR 18 -5.888 -5.421 5.499 122 HG1 THR 18 HG1 THR 18 -6.187 -7.441 3.483 123 HG21 THR 18 HG21 THR 18 -7.001 -3.966 3.893 124 HG22 THR 18 HG22 THR 18 -8.028 -5.350 4.277 125 HG23 THR 18 HG23 THR 18 -7.143 -5.305 2.752 126 H LEU 19 H LEU 19 -4.702 -3.567 1.993 127 HA LEU 19 HA LEU 19 -3.865 -1.354 3.711 128 HB2 LEU 19 HB2 LEU 19 -2.668 -1.584 1.636 129 HB3 LEU 19 HB3 LEU 19 -4.161 -1.656 0.724 130 HG LEU 19 HG LEU 19 -4.610 0.702 1.305 131 HD11 LEU 19 HD11 LEU 19 -2.811 2.051 2.283 132 HD12 LEU 19 HD12 LEU 19 -3.400 0.827 3.408 133 HD13 LEU 19 HD13 LEU 19 -1.873 0.583 2.560 134 HD21 LEU 19 HD21 LEU 19 -3.515 0.145 -0.782 135 HD22 LEU 19 HD22 LEU 19 -2.858 1.649 -0.134 136 HD23 LEU 19 HD23 LEU 19 -1.944 0.146 0.019 137 H ARG 20 H ARG 20 -5.525 -0.458 4.772 138 HA ARG 20 HA ARG 20 -8.111 -0.136 3.407 139 HB2 ARG 20 HB2 ARG 20 -7.763 -1.288 5.740 140 HB3 ARG 20 HB3 ARG 20 -7.650 0.360 6.334 141 HG2 ARG 20 HG2 ARG 20 -10.000 -0.730 4.800 142 HG3 ARG 20 HG3 ARG 20 -9.900 -0.664 6.557 143 HD2 ARG 20 HD2 ARG 20 -9.751 1.715 4.710 144 HD3 ARG 20 HD3 ARG 20 -11.186 1.206 5.600 145 HE ARG 20 HE ARG 20 -8.701 2.221 6.830 146 HH11 ARG 20 HH12 ARG 20 -12.161 1.669 6.892 147 HH12 ARG 20 HH11 ARG 20 -12.408 2.556 8.368 148 HH21 ARG 20 HH22 ARG 20 -9.028 3.382 8.804 149 HH22 ARG 20 HH21 ARG 20 -10.639 3.515 9.442 150 H ALA 21 H ALA 21 -8.662 1.839 2.699 151 HA ALA 21 HA ALA 21 -7.801 4.223 4.129 152 HB1 ALA 21 HB1 ALA 21 -6.890 5.294 2.126 153 HB2 ALA 21 HB2 ALA 21 -5.974 3.849 2.557 154 HB3 ALA 21 HB3 ALA 21 -7.124 3.799 1.221 155 H GLU 22 H GLU 22 -9.081 6.072 3.635 156 HA GLU 22 HA GLU 22 -11.539 5.425 2.132 157 HB2 GLU 22 HB2 GLU 22 -11.325 7.618 4.173 158 HB3 GLU 22 HB3 GLU 22 -12.768 6.811 3.576 159 HG2 GLU 22 HG2 GLU 22 -11.954 4.733 4.707 160 HG3 GLU 22 HG3 GLU 22 -10.692 5.721 5.451 161 H CYS 23 H CYS 23 -11.506 6.344 0.177 162 HA CYS 23 HA CYS 23 -10.449 9.084 -0.030 163 HB2 CYS 23 HB2 CYS 23 -8.945 7.424 -1.105 164 HB3 CYS 23 HB3 CYS 23 -10.275 6.924 -2.144 165 HG CYS 23 HG CYS 23 -10.378 9.130 -3.673 166 H ARG 24 H ARG 24 -11.527 10.485 -1.411 167 HA ARG 24 HA ARG 24 -14.323 9.977 -1.700 168 HB2 ARG 24 HB2 ARG 24 -14.293 12.193 -1.393 169 HB3 ARG 24 HB3 ARG 24 -12.570 12.278 -1.717 170 HG2 ARG 24 HG2 ARG 24 -14.520 12.096 -3.969 171 HG3 ARG 24 HG3 ARG 24 -14.222 13.636 -3.163 172 HD2 ARG 24 HD2 ARG 24 -12.029 13.735 -3.881 173 HD3 ARG 24 HD3 ARG 24 -11.916 11.990 -4.106 174 HE ARG 24 HE ARG 24 -13.453 12.330 -6.048 175 HH11 ARG 24 HH12 ARG 24 -11.407 14.934 -4.885 176 HH12 ARG 24 HH11 ARG 24 -11.278 15.705 -6.440 177 HH21 ARG 24 HH22 ARG 24 -13.290 13.348 -8.093 178 HH22 ARG 24 HH21 ARG 24 -12.371 14.814 -8.269 179 H ASN 25 H ASN 25 -15.500 9.739 -3.582 180 HA ASN 25 HA ASN 25 -13.985 8.630 -5.811 181 HB2 ASN 25 HB2 ASN 25 -15.999 7.592 -6.503 182 HB3 ASN 25 HB3 ASN 25 -15.948 7.464 -4.756 183 HD21 ASN 25 HD21 ASN 25 -18.219 7.228 -6.429 184 HD22 ASN 25 HD22 ASN 25 -19.328 8.476 -5.971 185 H ALA 26 H ALA 26 -15.449 9.005 -8.007 186 HA ALA 26 HA ALA 26 -14.764 11.561 -8.885 187 HB1 ALA 26 HB1 ALA 26 -16.813 9.696 -10.071 188 HB2 ALA 26 HB2 ALA 26 -16.027 11.041 -10.897 189 HB3 ALA 26 HB3 ALA 26 -15.077 9.647 -10.380 190 H ASP 27 H ASP 27 -17.723 10.344 -7.479 191 HA ASP 27 HA ASP 27 -19.402 12.527 -8.171 192 HB2 ASP 27 HB2 ASP 27 -20.256 10.302 -7.519 193 HB3 ASP 27 HB3 ASP 27 -19.644 10.549 -5.893 194 H GLY 28 H GLY 28 -17.050 11.988 -5.709 195 HA2 GLY 28 HA3 GLY 28 -16.084 13.825 -4.519 196 HA3 GLY 28 HA2 GLY 28 -17.635 14.648 -4.603 197 H ASN 29 H ASN 29 -17.992 11.393 -3.908 198 HA ASN 29 HA ASN 29 -18.623 12.003 -1.110 199 HB2 ASN 29 HB2 ASN 29 -20.091 10.694 -2.910 200 HB3 ASN 29 HB3 ASN 29 -19.125 9.339 -2.346 201 HD21 ASN 29 HD21 ASN 29 -21.957 9.759 -2.079 202 HD22 ASN 29 HD22 ASN 29 -22.297 9.743 -0.375 203 H TRP 30 H TRP 30 -17.744 10.803 0.602 204 HA TRP 30 HA TRP 30 -15.094 9.783 0.152 205 HB2 TRP 30 HB2 TRP 30 -16.793 10.061 2.628 206 HB3 TRP 30 HB3 TRP 30 -15.212 9.290 2.657 207 HD1 TRP 30 HD1 TRP 30 -14.554 11.821 0.286 208 HE1 TRP 30 HE1 TRP 30 -13.644 13.986 1.343 209 HE3 TRP 30 HE3 TRP 30 -15.901 10.962 5.142 210 HZ2 TRP 30 HZ2 TRP 30 -13.520 15.162 3.905 211 HZ3 TRP 30 HZ3 TRP 30 -15.345 12.659 6.836 212 HH2 TRP 30 HH2 TRP 30 -14.180 14.715 6.228 213 H VAL 31 H VAL 31 -14.599 7.772 -0.346 214 HA VAL 31 HA VAL 31 -16.525 5.635 0.314 215 HB VAL 31 HB VAL 31 -14.618 5.496 -2.005 216 HG11 VAL 31 HG11 VAL 31 -15.639 3.419 -1.277 217 HG12 VAL 31 HG12 VAL 31 -17.243 4.138 -1.423 218 HG13 VAL 31 HG13 VAL 31 -16.256 3.889 -2.863 219 HG21 VAL 31 HG21 VAL 31 -16.461 6.241 -3.475 220 HG22 VAL 31 HG22 VAL 31 -17.391 6.678 -2.043 221 HG23 VAL 31 HG23 VAL 31 -15.876 7.513 -2.399 222 H THR 32 H THR 32 -15.729 4.198 1.721 223 HA THR 32 HA THR 32 -12.901 4.132 2.305 224 HB THR 32 HB THR 32 -15.039 2.301 3.398 225 HG1 THR 32 HG1 THR 32 -14.244 4.553 4.869 226 HG21 THR 32 HG21 THR 32 -12.744 1.632 3.860 227 HG22 THR 32 HG22 THR 32 -13.535 2.182 5.337 228 HG23 THR 32 HG23 THR 32 -12.390 3.236 4.503 229 H SER 33 H SER 33 -11.600 3.041 0.953 230 HA SER 33 HA SER 33 -12.612 0.536 -0.204 231 HB2 SER 33 HB2 SER 33 -10.688 1.060 -1.915 232 HB3 SER 33 HB3 SER 33 -12.248 1.873 -2.053 233 HG SER 33 HG SER 33 -11.376 3.711 -1.382 234 H GLU 34 H GLU 34 -11.196 -1.237 -0.374 235 HA GLU 34 HA GLU 34 -8.769 -1.100 1.270 236 HB2 GLU 34 HB2 GLU 34 -10.639 -3.464 1.318 237 HB3 GLU 34 HB3 GLU 34 -9.319 -3.096 2.422 238 HG2 GLU 34 HG2 GLU 34 -10.641 -1.090 3.145 239 HG3 GLU 34 HG3 GLU 34 -11.984 -1.734 2.212 240 H LEU 35 H LEU 35 -7.051 -2.127 0.446 241 HA LEU 35 HA LEU 35 -7.482 -3.997 -1.787 242 HB2 LEU 35 HB2 LEU 35 -6.554 -1.526 -2.265 243 HB3 LEU 35 HB3 LEU 35 -5.046 -2.285 -1.795 244 HG LEU 35 HG LEU 35 -6.800 -2.941 -4.150 245 HD11 LEU 35 HD11 LEU 35 -3.900 -2.175 -3.889 246 HD12 LEU 35 HD12 LEU 35 -4.731 -2.553 -5.398 247 HD13 LEU 35 HD13 LEU 35 -5.212 -1.140 -4.457 248 HD21 LEU 35 HD21 LEU 35 -6.174 -5.074 -3.166 249 HD22 LEU 35 HD22 LEU 35 -5.280 -4.800 -4.662 250 HD23 LEU 35 HD23 LEU 35 -4.485 -4.572 -3.103 251 H ASP 36 H ASP 36 -6.765 -5.887 -1.194 252 HA ASP 36 HA ASP 36 -5.066 -6.291 1.022 253 HB2 ASP 36 HB2 ASP 36 -6.169 -8.063 -1.136 254 HB3 ASP 36 HB3 ASP 36 -4.994 -8.667 0.015 255 H LEU 37 H LEU 37 -3.042 -5.735 1.008 256 HA LEU 37 HA LEU 37 -1.423 -5.305 -1.243 257 HB2 LEU 37 HB2 LEU 37 -0.583 -5.981 1.571 258 HB3 LEU 37 HB3 LEU 37 0.409 -5.198 0.342 259 HG LEU 37 HG LEU 37 -2.155 -4.001 1.267 260 HD11 LEU 37 HD11 LEU 37 0.546 -3.559 2.461 261 HD12 LEU 37 HD12 LEU 37 -0.977 -2.803 2.944 262 HD13 LEU 37 HD13 LEU 37 -0.738 -4.535 3.180 263 HD21 LEU 37 HD21 LEU 37 -1.146 -3.131 -0.783 264 HD22 LEU 37 HD22 LEU 37 -1.121 -1.940 0.518 265 HD23 LEU 37 HD23 LEU 37 0.350 -2.818 0.099 266 H ASP 38 H ASP 38 -1.803 -8.006 0.957 267 HA ASP 38 HA ASP 38 0.249 -9.612 -0.129 268 HB2 ASP 38 HB2 ASP 38 -0.423 -11.250 1.318 269 HB3 ASP 38 HB3 ASP 38 -1.184 -9.864 2.093 270 H THR 39 H THR 39 -2.527 -8.531 -1.578 271 HA THR 39 HA THR 39 -2.767 -10.991 -3.171 272 HB THR 39 HB THR 39 -4.778 -9.595 -2.027 273 HG1 THR 39 HG1 THR 39 -5.187 -11.577 -2.844 274 HG21 THR 39 HG21 THR 39 -4.466 -7.649 -3.487 275 HG22 THR 39 HG22 THR 39 -6.029 -8.422 -3.757 276 HG23 THR 39 HG23 THR 39 -4.709 -8.680 -4.899 277 H ILE 40 H ILE 40 -1.443 -7.861 -3.292 278 HA ILE 40 HA ILE 40 -0.967 -8.201 -6.166 279 HB ILE 40 HB ILE 40 -1.305 -5.715 -6.479 280 HG12 ILE 40 HG13 ILE 40 -3.207 -4.966 -4.758 281 HG13 ILE 40 3HG1 ILE 40 -2.308 -6.043 -3.701 282 HG21 ILE 40 HG21 ILE 40 -2.862 -7.352 -7.362 283 HG22 ILE 40 HG22 ILE 40 -3.719 -7.388 -5.822 284 HG23 ILE 40 HG23 ILE 40 -3.722 -5.919 -6.796 285 HD11 ILE 40 HD11 ILE 40 -1.590 -3.756 -3.427 286 HD12 ILE 40 HD12 ILE 40 -0.287 -4.741 -4.095 287 HD13 ILE 40 HD13 ILE 40 -1.200 -3.656 -5.144 288 H ILE 41 H ILE 41 0.483 -8.063 -3.363 289 HA ILE 41 HA ILE 41 2.757 -6.483 -4.384 290 HB ILE 41 HB ILE 41 1.801 -6.653 -1.524 291 HG12 ILE 41 HG13 ILE 41 1.674 -4.582 -3.656 292 HG13 ILE 41 3HG1 ILE 41 0.505 -4.988 -2.407 293 HG21 ILE 41 HG21 ILE 41 4.221 -6.736 -1.574 294 HG22 ILE 41 HG22 ILE 41 4.264 -5.299 -2.597 295 HG23 ILE 41 HG23 ILE 41 3.649 -5.189 -0.944 296 HD11 ILE 41 HD11 ILE 41 1.883 -3.873 -0.744 297 HD12 ILE 41 HD12 ILE 41 3.063 -3.473 -1.993 298 HD13 ILE 41 HD13 ILE 41 1.441 -2.781 -2.058 299 H GLY 42 H GLY 42 4.675 -7.519 -4.395 300 HA2 GLY 42 HA3 GLY 42 4.842 -10.057 -2.894 301 HA3 GLY 42 HA2 GLY 42 5.358 -9.953 -4.570 302 H ASN 43 H ASN 43 7.025 -10.804 -2.471 303 HA ASN 43 HA ASN 43 8.898 -8.543 -2.264 304 HB2 ASN 43 HB2 ASN 43 8.344 -9.217 -0.057 305 HB3 ASN 43 HB3 ASN 43 8.467 -10.921 -0.464 306 HD21 ASN 43 HD21 ASN 43 9.874 -11.276 1.232 307 HD22 ASN 43 HD22 ASN 43 11.542 -10.785 1.166 308 H ASN 44 H ASN 44 10.495 -8.636 -3.628 309 HA ASN 44 HA ASN 44 11.411 -11.249 -4.623 310 HB2 ASN 44 HB2 ASN 44 10.634 -9.197 -6.112 311 HB3 ASN 44 HB3 ASN 44 12.270 -8.629 -5.810 312 HD21 ASN 44 HD21 ASN 44 13.504 -11.248 -5.816 313 HD22 ASN 44 HD22 ASN 44 13.465 -11.807 -7.453 314 H ASP 45 H ASP 45 12.627 -11.725 -2.780 315 HA ASP 45 HA ASP 45 14.316 -11.643 -1.249 316 HB2 ASP 45 HB2 ASP 45 16.543 -11.741 -2.259 317 HB3 ASP 45 HB3 ASP 45 15.380 -12.725 -3.129 318 H GLY 46 H GLY 46 13.209 -9.451 -0.615 319 HA2 GLY 46 HA3 GLY 46 13.857 -7.616 0.665 320 HA3 GLY 46 HA2 GLY 46 15.455 -7.701 -0.058 321 H HIS 47 H HIS 47 12.377 -7.528 -1.782 322 HA HIS 47 HA HIS 47 12.603 -4.710 -2.265 323 HB2 HIS 47 HB2 HIS 47 14.312 -5.647 -3.844 324 HB3 HIS 47 HB3 HIS 47 13.024 -6.555 -4.629 325 HD1 HIS 47 HD1 HIS 47 11.714 -5.362 -6.409 326 HD2 HIS 47 HD2 HIS 47 14.011 -2.769 -4.107 327 HE1 HIS 47 HE1 HIS 47 11.522 -3.118 -7.525 328 HE2 HIS 47 HE2 HIS 47 12.780 -1.530 -6.018 329 H PHE 48 H PHE 48 10.588 -3.975 -2.425 330 HA PHE 48 HA PHE 48 8.381 -5.745 -2.615 331 HB2 PHE 48 HB2 PHE 48 8.596 -2.747 -2.725 332 HB3 PHE 48 HB3 PHE 48 7.056 -3.575 -2.933 333 HD1 PHE 48 HD1 PHE 48 6.345 -5.184 -1.055 334 HD2 PHE 48 HD2 PHE 48 9.361 -2.216 -0.606 335 HE1 PHE 48 HE1 PHE 48 6.054 -5.261 1.388 336 HE2 PHE 48 HE2 PHE 48 9.082 -2.298 1.838 337 HZ PHE 48 HZ PHE 48 7.426 -3.817 2.836 338 H GLN 49 H GLN 49 7.063 -6.263 -4.262 339 HA GLN 49 HA GLN 49 7.687 -5.139 -6.894 340 HB2 GLN 49 HB2 GLN 49 8.746 -7.215 -7.023 341 HB3 GLN 49 HB3 GLN 49 7.511 -8.014 -6.058 342 HG2 GLN 49 HG2 GLN 49 6.004 -8.089 -7.840 343 HG3 GLN 49 HG3 GLN 49 6.906 -6.904 -8.775 344 HE21 GLN 49 HE21 GLN 49 9.475 -8.197 -8.120 345 HE22 GLN 49 HE22 GLN 49 9.541 -9.620 -9.102 346 H TRP 50 H TRP 50 5.968 -4.158 -7.636 347 HA TRP 50 HA TRP 50 3.358 -4.598 -6.629 348 HB2 TRP 50 HB2 TRP 50 4.408 -3.055 -9.003 349 HB3 TRP 50 HB3 TRP 50 2.690 -3.144 -8.626 350 HD1 TRP 50 HD1 TRP 50 5.713 -1.140 -7.847 351 HE1 TRP 50 HE1 TRP 50 5.223 0.496 -5.907 352 HE3 TRP 50 HE3 TRP 50 1.283 -3.107 -6.234 353 HZ2 TRP 50 HZ2 TRP 50 3.227 0.890 -3.966 354 HZ3 TRP 50 HZ3 TRP 50 0.147 -2.045 -4.331 355 HH2 TRP 50 HH2 TRP 50 1.092 -0.089 -3.223 356 H GLY 51 H GLY 51 2.165 -6.296 -7.033 357 HA2 GLY 51 HA3 GLY 51 0.820 -7.576 -8.541 358 HA3 GLY 51 HA2 GLY 51 2.049 -7.359 -9.778 359 H GLY 52 H GLY 52 2.824 -8.268 -6.491 360 HA2 GLY 52 HA3 GLY 52 3.859 -10.804 -7.536 361 HA3 GLY 52 HA2 GLY 52 4.370 -10.028 -6.048 362 H GLN 53 H GLN 53 2.159 -9.628 -4.637 363 HA GLN 53 HA GLN 53 0.542 -10.529 -3.339 364 HB2 GLN 53 HB2 GLN 53 -0.807 -11.200 -5.094 365 HB3 GLN 53 HB3 GLN 53 0.362 -12.364 -5.691 366 HG2 GLN 53 HG2 GLN 53 -0.153 -13.851 -3.839 367 HG3 GLN 53 HG3 GLN 53 -1.280 -12.662 -3.187 368 HE21 GLN 53 HE21 GLN 53 -3.028 -14.039 -3.332 369 HE22 GLN 53 HE22 GLN 53 -3.746 -14.481 -4.841 370 H ASN 54 H ASN 54 0.518 -11.713 -1.561 371 HA ASN 54 HA ASN 54 1.131 -13.077 0.110 372 HB2 ASN 54 HB2 ASN 54 0.887 -14.826 -1.756 373 HB3 ASN 54 HB3 ASN 54 2.645 -14.822 -1.812 374 HD21 ASN 54 HD21 ASN 54 2.634 -16.995 -1.184 375 HD22 ASN 54 HD22 ASN 54 2.358 -17.459 0.455 376 H PHE 55 H PHE 55 2.663 -10.826 -0.548 377 HA PHE 55 HA PHE 55 5.461 -11.427 -0.307 378 HB2 PHE 55 HB2 PHE 55 5.821 -9.112 -0.393 379 HB3 PHE 55 HB3 PHE 55 4.332 -9.292 -1.305 380 HD1 PHE 55 HD1 PHE 55 2.134 -8.823 -0.119 381 HD2 PHE 55 HD2 PHE 55 5.924 -7.717 1.467 382 HE1 PHE 55 HE1 PHE 55 1.040 -7.164 1.334 383 HE2 PHE 55 HE2 PHE 55 4.837 -6.063 2.924 384 HZ PHE 55 HZ PHE 55 2.395 -5.783 2.857 385 H THR 56 H THR 56 2.819 -10.904 1.849 386 HA THR 56 HA THR 56 4.222 -10.135 4.157 387 HB THR 56 HB THR 56 2.192 -10.987 5.363 388 HG1 THR 56 HG1 THR 56 1.264 -12.545 4.237 389 HG21 THR 56 HG21 THR 56 1.866 -9.158 2.990 390 HG22 THR 56 HG22 THR 56 2.202 -8.706 4.662 391 HG23 THR 56 HG23 THR 56 0.629 -9.370 4.224 392 H GLU 57 H GLU 57 3.805 -13.210 2.610 393 HA GLU 57 HA GLU 57 4.404 -14.822 4.876 394 HB2 GLU 57 HB2 GLU 57 4.169 -16.594 3.482 395 HB3 GLU 57 HB3 GLU 57 3.475 -15.393 2.406 396 HG2 GLU 57 HG2 GLU 57 5.427 -15.253 1.126 397 HG3 GLU 57 HG3 GLU 57 6.384 -16.081 2.355 398 H THR 58 H THR 58 6.297 -12.807 2.897 399 HA THR 58 HA THR 58 8.756 -13.993 3.997 400 HB THR 58 HB THR 58 9.949 -13.293 1.959 401 HG1 THR 58 HG1 THR 58 7.572 -12.883 0.555 402 HG21 THR 58 HG21 THR 58 7.517 -14.973 1.340 403 HG22 THR 58 HG22 THR 58 9.013 -15.567 2.068 404 HG23 THR 58 HG23 THR 58 9.021 -14.942 0.416 405 H ALA 59 H ALA 59 6.804 -11.714 4.620 406 HA ALA 59 HA ALA 59 8.862 -9.662 5.032 407 HB1 ALA 59 HB1 ALA 59 5.989 -9.070 4.345 408 HB2 ALA 59 HB2 ALA 59 7.295 -7.907 4.572 409 HB3 ALA 59 HB3 ALA 59 7.323 -9.010 3.193 410 H GLU 60 H GLU 60 8.646 -8.426 6.905 411 HA GLU 60 HA GLU 60 6.606 -9.183 8.851 412 HB2 GLU 60 HB2 GLU 60 8.992 -9.028 10.326 413 HB3 GLU 60 HB3 GLU 60 8.009 -10.456 10.046 414 HG2 GLU 60 HG2 GLU 60 9.297 -10.961 8.040 415 HG3 GLU 60 HG3 GLU 60 10.276 -9.516 8.296 416 H ASP 61 H ASP 61 6.936 -7.738 10.881 417 HA ASP 61 HA ASP 61 6.744 -5.591 11.691 418 HB2 ASP 61 HB2 ASP 61 9.372 -6.107 11.260 419 HB3 ASP 61 HB3 ASP 61 9.156 -4.708 10.220 420 H ILE 62 H ILE 62 5.030 -5.717 9.785 421 HA ILE 62 HA ILE 62 5.579 -3.799 7.687 422 HB ILE 62 HB ILE 62 2.952 -5.206 8.054 423 HG12 ILE 62 HG13 ILE 62 5.554 -6.333 7.014 424 HG13 ILE 62 3HG1 ILE 62 4.501 -7.006 8.248 425 HG21 ILE 62 HG21 ILE 62 3.084 -3.485 6.346 426 HG22 ILE 62 HG22 ILE 62 4.517 -4.247 5.653 427 HG23 ILE 62 HG23 ILE 62 2.959 -5.072 5.585 428 HD11 ILE 62 HD11 ILE 62 3.891 -6.825 5.309 429 HD12 ILE 62 HD12 ILE 62 4.340 -8.278 6.202 430 HD13 ILE 62 HD13 ILE 62 2.808 -7.471 6.543 431 H ARG 63 H ARG 63 5.272 -1.737 8.055 432 HA ARG 63 HA ARG 63 2.813 -0.896 9.417 433 HB2 ARG 63 HB2 ARG 63 4.046 1.022 10.430 434 HB3 ARG 63 HB3 ARG 63 4.457 -0.544 11.098 435 HG2 ARG 63 HG2 ARG 63 6.133 0.757 8.982 436 HG3 ARG 63 HG3 ARG 63 6.339 1.111 10.696 437 HD2 ARG 63 HD2 ARG 63 6.766 -1.479 9.248 438 HD3 ARG 63 HD3 ARG 63 7.898 -0.577 10.257 439 HE ARG 63 HE ARG 63 5.900 -2.466 11.131 440 HH11 ARG 63 HH12 ARG 63 7.894 0.257 12.073 441 HH12 ARG 63 HH11 ARG 63 7.844 -0.123 13.767 442 HH21 ARG 63 HH22 ARG 63 5.794 -2.952 13.371 443 HH22 ARG 63 HH21 ARG 63 6.654 -1.953 14.503 444 H PHE 64 H PHE 64 1.686 0.609 8.346 445 HA PHE 64 HA PHE 64 2.806 1.507 5.816 446 HB2 PHE 64 HB2 PHE 64 0.657 0.454 5.691 447 HB3 PHE 64 HB3 PHE 64 -0.002 1.519 6.930 448 HD1 PHE 64 HD2 PHE 64 2.007 2.242 3.872 449 HD2 PHE 64 HD1 PHE 64 -1.657 2.768 5.962 450 HE1 PHE 64 HE2 PHE 64 1.252 3.814 2.144 451 HE2 PHE 64 HE1 PHE 64 -2.410 4.346 4.238 452 HZ PHE 64 HZ PHE 64 -0.963 4.861 2.321 453 H HIS 65 H HIS 65 3.122 3.543 5.219 454 HA HIS 65 HA HIS 65 2.627 5.695 7.190 455 HB2 HIS 65 HB2 HIS 65 5.078 4.886 6.596 456 HB3 HIS 65 HB3 HIS 65 4.824 5.857 5.152 457 HD1 HIS 65 HD1 HIS 65 6.816 7.363 6.066 458 HD2 HIS 65 HD2 HIS 65 3.334 7.398 8.354 459 HE1 HIS 65 HE1 HIS 65 7.065 9.288 7.667 460 HE2 HIS 65 HE2 HIS 65 4.875 9.405 8.901 461 HA PRO 66 HA PRO 66 -0.044 6.396 3.441 462 HB2 PRO 66 HB2 PRO 66 -1.651 8.132 4.908 463 HB3 PRO 66 HB3 PRO 66 -1.957 6.427 4.623 464 HG2 PRO 66 HG2 PRO 66 -0.795 7.763 6.998 465 HG3 PRO 66 HG3 PRO 66 -1.848 6.337 6.909 466 HD2 PRO 66 HD2 PRO 66 0.785 6.136 7.400 467 HD3 PRO 66 HD3 PRO 66 -0.084 4.914 6.451 468 H LYS 67 H LYS 67 0.854 8.795 5.774 469 HA LYS 67 HA LYS 67 1.439 10.647 3.566 470 HB2 LYS 67 HB2 LYS 67 0.888 12.461 5.403 471 HB3 LYS 67 HB3 LYS 67 -0.383 11.768 4.409 472 HG2 LYS 67 HG2 LYS 67 0.237 10.495 7.027 473 HG3 LYS 67 HG3 LYS 67 -0.655 12.017 7.006 474 HD2 LYS 67 HD2 LYS 67 -1.432 9.513 5.515 475 HD3 LYS 67 HD3 LYS 67 -2.131 10.043 7.044 476 HE2 LYS 67 HE2 LYS 67 -2.198 11.625 4.478 477 HE3 LYS 67 HE3 LYS 67 -3.516 10.612 5.065 478 HZ1 LYS 67 HZ1 LYS 67 -2.424 13.064 6.334 479 HZ2 LYS 67 HZ2 LYS 67 -3.525 12.030 7.097 480 HZ3 LYS 67 HZ3 LYS 67 -3.975 12.839 5.681 481 H GLU 68 H GLU 68 3.550 9.951 3.600 482 HA GLU 68 HA GLU 68 5.122 9.936 5.948 483 HB2 GLU 68 HB2 GLU 68 5.746 8.559 4.081 484 HB3 GLU 68 HB3 GLU 68 5.928 9.972 3.049 485 HG2 GLU 68 HG2 GLU 68 7.928 10.543 3.926 486 HG3 GLU 68 HG3 GLU 68 7.536 9.897 5.523 487 H GLY 69 H GLY 69 5.674 11.585 7.090 488 HA2 GLY 69 HA3 GLY 69 6.311 13.673 7.750 489 HA3 GLY 69 HA2 GLY 69 7.393 13.587 6.371 490 H ALA 70 H ALA 70 7.278 15.715 5.844 491 HA ALA 70 HA ALA 70 4.724 16.987 5.403 492 HB1 ALA 70 HB1 ALA 70 6.618 18.277 6.272 493 HB2 ALA 70 HB2 ALA 70 7.509 17.968 4.782 494 HB3 ALA 70 HB3 ALA 70 6.033 18.934 4.742 495 H ALA 71 H ALA 71 6.586 14.828 3.738 496 HA ALA 71 HA ALA 71 6.296 15.863 1.084 497 HB1 ALA 71 HB1 ALA 71 8.110 14.332 1.653 498 HB2 ALA 71 HB2 ALA 71 6.941 13.067 2.038 499 HB3 ALA 71 HB3 ALA 71 7.095 13.655 0.380 500 H GLU 72 H GLU 72 4.367 14.073 3.287 501 HA GLU 72 HA GLU 72 2.322 13.091 3.193 502 HB2 GLU 72 HB2 GLU 72 2.092 15.142 0.996 503 HB3 GLU 72 HB3 GLU 72 0.739 14.126 1.472 504 HG2 GLU 72 HG2 GLU 72 2.216 15.815 3.456 505 HG3 GLU 72 HG3 GLU 72 0.897 16.459 2.479 506 H GLN 73 H GLN 73 4.247 11.531 2.062 507 HA GLN 73 HA GLN 73 2.964 10.545 -0.393 508 HB2 GLN 73 HB2 GLN 73 5.827 10.183 0.491 509 HB3 GLN 73 HB3 GLN 73 5.124 9.519 -0.976 510 HG2 GLN 73 HG2 GLN 73 4.631 11.852 -1.704 511 HG3 GLN 73 HG3 GLN 73 5.543 12.419 -0.308 512 HE21 GLN 73 HE21 GLN 73 7.450 10.173 -0.537 513 HE22 GLN 73 HE22 GLN 73 8.481 10.576 -1.871 514 HA PRO 74 HA PRO 74 1.909 7.010 2.086 515 HB2 PRO 74 HB2 PRO 74 0.629 5.637 0.145 516 HB3 PRO 74 HB3 PRO 74 -0.102 7.027 0.957 517 HG2 PRO 74 HG2 PRO 74 1.278 6.901 -1.703 518 HG3 PRO 74 HG3 PRO 74 -0.230 7.727 -1.264 519 HD2 PRO 74 HD2 PRO 74 2.136 9.033 -1.466 520 HD3 PRO 74 HD3 PRO 74 0.875 9.516 -0.313 521 H ILE 75 H ILE 75 3.633 5.796 2.558 522 HA ILE 75 HA ILE 75 4.608 4.008 0.452 523 HB ILE 75 HB ILE 75 6.876 4.336 0.863 524 HG12 ILE 75 HG13 ILE 75 7.343 6.174 2.842 525 HG13 ILE 75 3HG1 ILE 75 6.006 5.241 3.513 526 HG21 ILE 75 HG21 ILE 75 5.980 6.189 -0.386 527 HG22 ILE 75 HG22 ILE 75 5.603 7.053 1.106 528 HG23 ILE 75 HG23 ILE 75 7.284 6.757 0.658 529 HD11 ILE 75 HD11 ILE 75 7.274 3.186 3.191 530 HD12 ILE 75 HD12 ILE 75 8.608 4.116 2.508 531 HD13 ILE 75 HD13 ILE 75 8.157 4.338 4.197 532 H LEU 76 H LEU 76 5.121 1.972 1.126 533 HA LEU 76 HA LEU 76 4.447 1.376 3.924 534 HB2 LEU 76 HB2 LEU 76 2.816 0.521 2.312 535 HB3 LEU 76 HB3 LEU 76 4.087 -0.310 1.444 536 HG LEU 76 HG LEU 76 2.488 -1.584 3.095 537 HD11 LEU 76 HD11 LEU 76 5.458 -2.093 3.034 538 HD12 LEU 76 HD12 LEU 76 4.207 -3.273 3.428 539 HD13 LEU 76 HD13 LEU 76 4.305 -2.600 1.800 540 HD21 LEU 76 HD21 LEU 76 3.013 -0.153 5.020 541 HD22 LEU 76 HD22 LEU 76 3.400 -1.852 5.309 542 HD23 LEU 76 HD23 LEU 76 4.688 -0.703 4.945 543 H ARG 77 H ARG 77 6.027 0.564 5.135 544 HA ARG 77 HA ARG 77 8.289 -0.700 3.748 545 HB2 ARG 77 HB2 ARG 77 9.861 0.255 5.217 546 HB3 ARG 77 HB3 ARG 77 8.795 1.578 4.776 547 HG2 ARG 77 HG2 ARG 77 8.381 0.011 7.297 548 HG3 ARG 77 HG3 ARG 77 9.507 1.364 7.216 549 HD2 ARG 77 HD2 ARG 77 6.584 1.491 6.521 550 HD3 ARG 77 HD3 ARG 77 7.274 2.009 8.060 551 HE ARG 77 HE ARG 77 7.346 3.417 5.543 552 HH11 ARG 77 HH12 ARG 77 8.906 3.035 8.664 553 HH12 ARG 77 HH11 ARG 77 9.637 4.616 8.625 554 HH21 ARG 77 HH22 ARG 77 8.314 5.524 5.518 555 HH22 ARG 77 HH21 ARG 77 9.296 6.015 6.868 556 H ALA 78 H ALA 78 9.184 -2.471 4.648 557 HA ALA 78 HA ALA 78 8.391 -3.529 7.191 558 HB1 ALA 78 HB1 ALA 78 7.293 -5.531 6.390 559 HB2 ALA 78 HB2 ALA 78 6.419 -4.110 5.822 560 HB3 ALA 78 HB3 ALA 78 7.473 -4.996 4.719 561 H ARG 79 H ARG 79 9.351 -5.829 7.413 562 HA ARG 79 HA ARG 79 12.056 -5.730 6.355 563 HB2 ARG 79 HB2 ARG 79 11.012 -7.989 8.040 564 HB3 ARG 79 HB3 ARG 79 12.637 -7.337 7.961 565 HG2 ARG 79 HG2 ARG 79 10.251 -6.166 9.361 566 HG3 ARG 79 HG3 ARG 79 11.743 -6.777 10.077 567 HD2 ARG 79 HD2 ARG 79 12.994 -4.966 8.994 568 HD3 ARG 79 HD3 ARG 79 11.485 -4.370 8.298 569 HE ARG 79 HE ARG 79 10.770 -4.131 10.732 570 HH11 ARG 79 HH12 ARG 79 14.094 -3.682 9.654 571 HH12 ARG 79 HH11 ARG 79 14.469 -2.573 10.937 572 HH21 ARG 79 HH22 ARG 79 11.264 -2.668 12.362 573 HH22 ARG 79 HH21 ARG 79 12.869 -1.992 12.468 574 H LEU 80 H LEU 80 12.450 -6.601 4.447 575 HA LEU 80 HA LEU 80 10.715 -8.741 3.466 576 HB2 LEU 80 HB2 LEU 80 12.319 -6.595 2.213 577 HB3 LEU 80 HB3 LEU 80 12.234 -8.111 1.338 578 HG LEU 80 HG LEU 80 9.915 -7.951 1.052 579 HD11 LEU 80 HD11 LEU 80 8.498 -6.307 2.133 580 HD12 LEU 80 HD12 LEU 80 9.303 -7.348 3.309 581 HD13 LEU 80 HD13 LEU 80 9.888 -5.705 3.039 582 HD21 LEU 80 HD21 LEU 80 11.094 -6.489 -0.430 583 HD22 LEU 80 HD22 LEU 80 9.574 -5.731 0.045 584 HD23 LEU 80 HD23 LEU 80 11.090 -5.203 0.779 585 H ARG 81 H ARG 81 11.388 -10.738 3.347 586 HA ARG 81 HA ARG 81 14.005 -11.447 4.235 587 HB2 ARG 81 HB2 ARG 81 12.162 -12.863 4.819 588 HB3 ARG 81 HB3 ARG 81 11.717 -13.079 3.134 589 HG2 ARG 81 HG2 ARG 81 14.445 -13.917 3.745 590 HG3 ARG 81 HG3 ARG 81 13.212 -14.822 4.616 591 HD2 ARG 81 HD2 ARG 81 12.047 -15.016 2.327 592 HD3 ARG 81 HD3 ARG 81 13.608 -14.521 1.666 593 HE ARG 81 HE ARG 81 14.464 -16.583 2.155 594 HH11 ARG 81 HH12 ARG 81 11.399 -16.208 3.838 595 HH12 ARG 81 HH11 ARG 81 11.269 -17.896 4.237 596 HH21 ARG 81 HH22 ARG 81 14.307 -18.783 2.701 597 HH22 ARG 81 HH21 ARG 81 12.940 -19.356 3.619 598 H ASP 82 H ASP 82 15.725 -12.090 3.154 599 HA ASP 82 HA ASP 82 15.732 -11.728 0.251 600 HB2 ASP 82 HB2 ASP 82 17.920 -11.882 2.314 601 HB3 ASP 82 HB3 ASP 82 18.260 -12.011 0.596 602 H CYS 83 H CYS 83 17.347 -13.294 -0.909 603 HA CYS 83 HA CYS 83 16.254 -15.882 -0.765 604 HB2 CYS 83 HB2 CYS 83 18.834 -14.971 -2.058 605 HB3 CYS 83 HB3 CYS 83 18.057 -16.526 -2.338 606 HG CYS 83 HG CYS 83 17.729 -13.979 -4.145 607 H ASN 84 H ASN 84 18.808 -14.380 0.955 608 HA ASN 84 HA ASN 84 20.259 -16.715 1.704 609 HB2 ASN 84 HB2 ASN 84 21.190 -14.400 1.773 610 HB3 ASN 84 HB3 ASN 84 20.117 -14.043 3.121 611 HD21 ASN 84 HD21 ASN 84 21.766 -13.619 4.543 612 HD22 ASN 84 HD22 ASN 84 22.804 -14.864 5.172 613 H GLY 85 H GLY 85 17.320 -15.299 2.728 614 HA2 GLY 85 HA3 GLY 85 15.727 -16.365 4.091 615 HA3 GLY 85 HA2 GLY 85 17.002 -17.377 4.756 616 H GLU 86 H GLU 86 17.000 -13.914 4.398 617 HA GLU 86 HA GLU 86 17.018 -13.616 7.322 618 HB2 GLU 86 HB2 GLU 86 18.701 -11.889 7.105 619 HB3 GLU 86 HB3 GLU 86 19.268 -13.357 6.323 620 HG2 GLU 86 HG2 GLU 86 18.712 -12.452 4.148 621 HG3 GLU 86 HG3 GLU 86 18.094 -10.984 4.905 622 H PHE 87 H PHE 87 17.052 -10.764 7.265 623 HA PHE 87 HA PHE 87 14.680 -10.087 5.687 624 HB2 PHE 87 HB2 PHE 87 13.553 -9.086 7.615 625 HB3 PHE 87 HB3 PHE 87 13.836 -10.801 7.891 626 HD1 PHE 87 HD2 PHE 87 15.716 -11.498 9.389 627 HD2 PHE 87 HD1 PHE 87 14.426 -7.458 9.056 628 HE1 PHE 87 HE2 PHE 87 16.846 -10.966 11.508 629 HE2 PHE 87 HE1 PHE 87 15.554 -6.919 11.171 630 HZ PHE 87 HZ PHE 87 16.767 -8.676 12.400 631 H HIS 88 H HIS 88 14.541 -8.123 5.006 632 HA HIS 88 HA HIS 88 16.453 -6.106 5.927 633 HB2 HIS 88 HB2 HIS 88 16.281 -7.389 3.280 634 HB3 HIS 88 HB3 HIS 88 16.403 -5.644 3.266 635 HD1 HIS 88 HD1 HIS 88 18.631 -4.593 4.023 636 HD2 HIS 88 HD2 HIS 88 18.548 -8.751 4.193 637 HE1 HIS 88 HE1 HIS 88 21.015 -5.309 4.382 638 HE2 HIS 88 HE2 HIS 88 20.910 -7.810 4.667 639 H ASP 89 H ASP 89 15.203 -4.485 6.600 640 HA ASP 89 HA ASP 89 12.531 -4.127 5.797 641 HB2 ASP 89 HB2 ASP 89 12.860 -1.820 6.909 642 HB3 ASP 89 HB3 ASP 89 13.009 -3.266 7.901 643 H ARG 90 H ARG 90 11.872 -3.585 3.895 644 HA ARG 90 HA ARG 90 13.344 -1.503 2.416 645 HB2 ARG 90 HB2 ARG 90 11.560 -3.713 1.370 646 HB3 ARG 90 HB3 ARG 90 12.316 -2.472 0.381 647 HG2 ARG 90 HG2 ARG 90 13.761 -4.556 2.003 648 HG3 ARG 90 HG3 ARG 90 13.519 -4.577 0.253 649 HD2 ARG 90 HD2 ARG 90 14.788 -2.474 0.079 650 HD3 ARG 90 HD3 ARG 90 15.064 -2.510 1.822 651 HE ARG 90 HE ARG 90 15.974 -4.926 0.892 652 HH11 ARG 90 HH12 ARG 90 16.697 -1.567 0.179 653 HH12 ARG 90 HH11 ARG 90 18.362 -1.884 -0.192 654 HH21 ARG 90 HH22 ARG 90 18.137 -5.346 0.396 655 HH22 ARG 90 HH21 ARG 90 19.180 -4.047 -0.111 656 H ASP 91 H ASP 91 11.666 -0.436 0.785 657 HA ASP 91 HA ASP 91 9.098 -0.040 2.077 658 HB2 ASP 91 HB2 ASP 91 9.329 2.433 2.001 659 HB3 ASP 91 HB3 ASP 91 10.428 1.681 3.149 660 H VAL 92 H VAL 92 7.531 0.718 0.696 661 HA VAL 92 HA VAL 92 8.373 0.938 -2.106 662 HB VAL 92 HB VAL 92 7.494 -1.315 -1.682 663 HG11 VAL 92 HG11 VAL 92 4.922 0.095 -1.009 664 HG12 VAL 92 HG12 VAL 92 5.094 -1.641 -1.267 665 HG13 VAL 92 HG13 VAL 92 5.914 -0.868 0.088 666 HG21 VAL 92 HG21 VAL 92 5.806 0.400 -3.468 667 HG22 VAL 92 HG22 VAL 92 7.343 -0.371 -3.872 668 HG23 VAL 92 HG23 VAL 92 5.920 -1.359 -3.544 669 H ASN 93 H ASN 93 7.232 2.244 -3.387 670 HA ASN 93 HA ASN 93 5.856 4.402 -2.078 671 HB2 ASN 93 HB2 ASN 93 6.961 3.857 -4.787 672 HB3 ASN 93 HB3 ASN 93 5.702 5.077 -4.657 673 HD21 ASN 93 HD21 ASN 93 8.593 5.277 -5.303 674 HD22 ASN 93 HD22 ASN 93 9.227 6.427 -4.166 675 H LEU 94 H LEU 94 3.790 4.057 -1.503 676 HA LEU 94 HA LEU 94 2.074 2.345 -3.063 677 HB2 LEU 94 HB2 LEU 94 1.419 4.104 -0.699 678 HB3 LEU 94 HB3 LEU 94 0.311 2.970 -1.440 679 HG LEU 94 HG LEU 94 2.551 2.490 0.426 680 HD11 LEU 94 HD11 LEU 94 1.034 0.743 1.215 681 HD12 LEU 94 HD12 LEU 94 0.242 2.319 1.135 682 HD13 LEU 94 HD13 LEU 94 -0.068 1.108 -0.111 683 HD21 LEU 94 HD21 LEU 94 2.892 0.202 -0.311 684 HD22 LEU 94 HD22 LEU 94 1.815 0.464 -1.682 685 HD23 LEU 94 HD23 LEU 94 3.348 1.330 -1.587 686 H ASN 95 H ASN 95 3.153 5.343 -3.569 687 HA ASN 95 HA ASN 95 0.929 6.889 -4.247 688 HB2 ASN 95 HB2 ASN 95 3.562 6.893 -5.742 689 HB3 ASN 95 HB3 ASN 95 2.406 8.215 -5.623 690 HD21 ASN 95 HD21 ASN 95 5.004 6.568 -4.151 691 HD22 ASN 95 HD22 ASN 95 5.201 7.600 -2.792 692 H ARG 96 H ARG 96 2.266 4.097 -5.667 693 HA ARG 96 HA ARG 96 1.469 4.387 -8.342 694 HB2 ARG 96 HB2 ARG 96 2.087 2.060 -6.570 695 HB3 ARG 96 HB3 ARG 96 1.372 1.767 -8.146 696 HG2 ARG 96 HG2 ARG 96 3.796 1.552 -8.188 697 HG3 ARG 96 HG3 ARG 96 3.244 2.859 -9.230 698 HD2 ARG 96 HD2 ARG 96 4.071 3.460 -6.422 699 HD3 ARG 96 HD3 ARG 96 5.302 3.182 -7.652 700 HE ARG 96 HE ARG 96 3.230 5.180 -8.171 701 HH11 ARG 96 HH12 ARG 96 6.577 4.398 -7.492 702 HH12 ARG 96 HH11 ARG 96 7.151 6.010 -7.821 703 HH21 ARG 96 HH22 ARG 96 3.967 7.291 -8.587 704 HH22 ARG 96 HH21 ARG 96 5.661 7.669 -8.403 705 H ILE 97 H ILE 97 -0.261 3.752 -5.444 706 HA ILE 97 HA ILE 97 -2.572 2.591 -6.728 707 HB ILE 97 HB ILE 97 -2.236 3.589 -3.898 708 HG12 ILE 97 HG13 ILE 97 -2.140 0.702 -4.682 709 HG13 ILE 97 3HG1 ILE 97 -0.699 1.689 -4.908 710 HG21 ILE 97 HG21 ILE 97 -4.252 1.694 -5.108 711 HG22 ILE 97 HG22 ILE 97 -4.120 2.101 -3.397 712 HG23 ILE 97 HG23 ILE 97 -4.573 3.341 -4.566 713 HD11 ILE 97 HD11 ILE 97 -0.668 2.237 -2.567 714 HD12 ILE 97 HD12 ILE 97 -2.161 1.330 -2.311 715 HD13 ILE 97 HD13 ILE 97 -0.689 0.486 -2.788 716 H GLN 98 H GLN 98 -4.230 3.649 -7.495 717 HA GLN 98 HA GLN 98 -4.604 6.479 -6.774 718 HB2 GLN 98 HB2 GLN 98 -3.763 6.103 -9.118 719 HB3 GLN 98 HB3 GLN 98 -5.238 5.207 -9.440 720 HG2 GLN 98 HG2 GLN 98 -6.493 7.296 -8.766 721 HG3 GLN 98 HG3 GLN 98 -4.939 8.125 -8.831 722 HE21 GLN 98 HE21 GLN 98 -7.331 8.538 -10.428 723 HE22 GLN 98 HE22 GLN 98 -6.857 8.325 -12.077 724 H ASN 99 H ASN 99 -6.863 7.181 -7.052 725 HA ASN 99 HA ASN 99 -8.701 5.065 -6.187 726 HB2 ASN 99 HB2 ASN 99 -8.613 6.798 -4.578 727 HB3 ASN 99 HB3 ASN 99 -8.648 8.056 -5.807 728 HD21 ASN 99 HD21 ASN 99 -10.574 8.721 -6.636 729 HD22 ASN 99 HD22 ASN 99 -12.098 8.228 -5.990 730 H VAL 100 H VAL 100 -10.033 4.307 -7.663 731 HA VAL 100 HA VAL 100 -10.837 6.071 -9.881 732 HB VAL 100 HB VAL 100 -10.753 3.048 -9.868 733 HG11 VAL 100 HG11 VAL 100 -11.309 4.993 -12.106 734 HG12 VAL 100 HG12 VAL 100 -11.166 3.244 -12.275 735 HG13 VAL 100 HG13 VAL 100 -12.488 3.934 -11.332 736 HG21 VAL 100 HG21 VAL 100 -8.865 3.290 -11.423 737 HG22 VAL 100 HG22 VAL 100 -8.906 5.038 -11.181 738 HG23 VAL 100 HG23 VAL 100 -8.508 3.971 -9.834 739 H ASN 101 H ASN 101 -12.640 6.966 -9.059 740 HA ASN 101 HA ASN 101 -14.814 7.204 -8.495 741 HB2 ASN 101 HB2 ASN 101 -14.974 5.568 -10.505 742 HB3 ASN 101 HB3 ASN 101 -15.348 4.357 -9.283 743 HD21 ASN 101 HD21 ASN 101 -16.394 7.301 -10.821 744 HD22 ASN 101 HD22 ASN 101 -18.053 7.220 -10.304 745 H GLY 102 H GLY 102 -12.831 5.954 -6.596 746 HA2 GLY 102 HA3 GLY 102 -13.336 5.841 -4.246 747 HA3 GLY 102 HA2 GLY 102 -14.868 5.090 -4.656 748 H ARG 103 H ARG 103 -12.001 4.009 -6.270 749 HA ARG 103 HA ARG 103 -11.852 1.703 -4.461 750 HB2 ARG 103 HB2 ARG 103 -11.854 0.140 -6.206 751 HB3 ARG 103 HB3 ARG 103 -13.120 1.272 -6.657 752 HG2 ARG 103 HG2 ARG 103 -11.462 2.419 -8.135 753 HG3 ARG 103 HG3 ARG 103 -10.336 1.105 -7.786 754 HD2 ARG 103 HD2 ARG 103 -11.435 0.629 -9.858 755 HD3 ARG 103 HD3 ARG 103 -12.037 -0.493 -8.636 756 HE ARG 103 HE ARG 103 -13.639 1.879 -8.937 757 HH11 ARG 103 HH12 ARG 103 -13.078 -1.395 -10.021 758 HH12 ARG 103 HH11 ARG 103 -14.660 -1.581 -10.723 759 HH21 ARG 103 HH22 ARG 103 -15.740 1.647 -9.825 760 HH22 ARG 103 HH21 ARG 103 -16.187 0.158 -10.601 761 H LEU 104 H LEU 104 -9.822 0.905 -4.082 762 HA LEU 104 HA LEU 104 -7.614 2.602 -4.865 763 HB2 LEU 104 HB2 LEU 104 -7.708 0.155 -3.087 764 HB3 LEU 104 HB3 LEU 104 -6.297 1.167 -3.332 765 HG LEU 104 HG LEU 104 -8.884 1.975 -2.005 766 HD11 LEU 104 HD11 LEU 104 -7.472 2.232 -0.019 767 HD12 LEU 104 HD12 LEU 104 -7.475 0.572 -0.614 768 HD13 LEU 104 HD13 LEU 104 -6.091 1.619 -0.928 769 HD21 LEU 104 HD21 LEU 104 -7.800 4.114 -1.567 770 HD22 LEU 104 HD22 LEU 104 -6.401 3.609 -2.513 771 HD23 LEU 104 HD23 LEU 104 -7.964 3.830 -3.299 772 H VAL 105 H VAL 105 -6.553 2.257 -6.702 773 HA VAL 105 HA VAL 105 -6.252 -0.528 -7.638 774 HB VAL 105 HB VAL 105 -6.314 1.966 -9.354 775 HG11 VAL 105 HG11 VAL 105 -6.368 0.385 -11.235 776 HG12 VAL 105 HG12 VAL 105 -4.890 0.233 -10.285 777 HG13 VAL 105 HG13 VAL 105 -6.182 -0.954 -10.103 778 HG21 VAL 105 HG21 VAL 105 -8.389 -0.197 -9.011 779 HG22 VAL 105 HG22 VAL 105 -8.523 1.473 -8.461 780 HG23 VAL 105 HG23 VAL 105 -8.460 1.115 -10.187 781 H PHE 106 H PHE 106 -4.255 -1.246 -7.614 782 HA PHE 106 HA PHE 106 -2.053 0.513 -7.008 783 HB2 PHE 106 HB2 PHE 106 -0.808 -1.444 -6.549 784 HB3 PHE 106 HB3 PHE 106 -2.443 -1.822 -6.020 785 HD1 PHE 106 HD2 PHE 106 -3.947 -2.976 -7.885 786 HD2 PHE 106 HD1 PHE 106 0.310 -2.982 -7.828 787 HE1 PHE 106 HE2 PHE 106 -3.932 -4.959 -9.341 788 HE2 PHE 106 HE1 PHE 106 0.331 -4.961 -9.285 789 HZ PHE 106 HZ PHE 106 -1.790 -5.953 -10.046 790 H GLN 107 H GLN 107 -0.241 0.879 -8.261 791 HA GLN 107 HA GLN 107 1.094 1.067 -10.079 792 HB2 GLN 107 HB2 GLN 107 0.967 -1.357 -10.279 793 HB3 GLN 107 HB3 GLN 107 -0.553 -1.228 -11.148 794 HG2 GLN 107 HG2 GLN 107 0.578 -0.126 -12.994 795 HG3 GLN 107 HG3 GLN 107 2.107 -0.214 -12.117 796 HE21 GLN 107 HE21 GLN 107 3.145 -2.178 -11.903 797 HE22 GLN 107 HE22 GLN 107 2.713 -3.568 -12.847 Start of MODEL 13 1 H MET 1 H MET 1 -1.426 11.530 -9.741 2 HA MET 1 HA MET 1 0.397 11.778 -8.235 3 HB2 MET 1 HB2 MET 1 -0.371 13.649 -6.924 4 HB3 MET 1 HB3 MET 1 -1.742 12.732 -6.323 5 HG2 MET 1 HG2 MET 1 0.008 12.972 -4.642 6 HG3 MET 1 HG3 MET 1 -0.269 11.284 -5.063 7 HE1 MET 1 HE1 MET 1 2.115 14.352 -5.295 8 HE2 MET 1 HE2 MET 1 3.393 13.773 -6.365 9 HE3 MET 1 HE3 MET 1 1.778 14.080 -7.004 10 H SER 2 H SER 2 -2.502 10.852 -6.392 11 HA SER 2 HA SER 2 -2.369 8.100 -6.969 12 HB2 SER 2 HB2 SER 2 -1.560 7.344 -4.705 13 HB3 SER 2 HB3 SER 2 -0.309 8.059 -5.713 14 HG SER 2 HG SER 2 0.016 9.307 -4.057 15 H TYR 3 H TYR 3 -3.520 6.873 -4.987 16 HA TYR 3 HA TYR 3 -6.071 8.022 -4.725 17 HB2 TYR 3 HB2 TYR 3 -6.619 6.151 -3.360 18 HB3 TYR 3 HB3 TYR 3 -5.424 5.552 -4.503 19 HD1 TYR 3 HD1 TYR 3 -2.933 5.576 -3.652 20 HD2 TYR 3 HD2 TYR 3 -6.334 5.745 -1.104 21 HE1 TYR 3 HE1 TYR 3 -1.554 4.809 -1.770 22 HE2 TYR 3 HE2 TYR 3 -4.975 4.983 0.786 23 HH TYR 3 HH TYR 3 -2.877 3.702 1.137 24 H ALA 4 H ALA 4 -3.182 8.142 -2.784 25 HA ALA 4 HA ALA 4 -4.170 9.000 -0.326 26 HB1 ALA 4 HB1 ALA 4 -1.879 8.264 -0.682 27 HB2 ALA 4 HB2 ALA 4 -1.547 9.727 -1.608 28 HB3 ALA 4 HB3 ALA 4 -1.934 9.838 0.110 29 H ASP 5 H ASP 5 -3.819 10.761 -3.283 30 HA ASP 5 HA ASP 5 -3.642 13.383 -2.379 31 HB2 ASP 5 HB2 ASP 5 -3.404 12.872 -4.721 32 HB3 ASP 5 HB3 ASP 5 -5.045 12.242 -4.803 33 H SER 6 H SER 6 -6.378 11.214 -2.513 34 HA SER 6 HA SER 6 -7.975 13.232 -1.094 35 HB2 SER 6 HB2 SER 6 -9.050 11.406 -3.260 36 HB3 SER 6 HB3 SER 6 -9.964 12.610 -2.352 37 HG SER 6 HG SER 6 -7.698 13.277 -3.926 38 H SER 7 H SER 7 -6.420 10.990 -0.088 39 HA SER 7 HA SER 7 -8.599 9.289 0.936 40 HB2 SER 7 HB2 SER 7 -5.695 8.607 0.492 41 HB3 SER 7 HB3 SER 7 -6.813 7.587 1.398 42 HG SER 7 HG SER 7 -7.092 8.399 -1.310 43 H ARG 8 H ARG 8 -8.437 8.555 3.083 44 HA ARG 8 HA ARG 8 -6.584 9.828 4.904 45 HB2 ARG 8 HB2 ARG 8 -8.186 10.990 6.212 46 HB3 ARG 8 HB3 ARG 8 -8.517 11.453 4.549 47 HG2 ARG 8 HG2 ARG 8 -10.118 9.243 4.929 48 HG3 ARG 8 HG3 ARG 8 -10.204 10.091 6.472 49 HD2 ARG 8 HD2 ARG 8 -11.959 10.896 5.033 50 HD3 ARG 8 HD3 ARG 8 -10.761 12.173 5.255 51 HE ARG 8 HE ARG 8 -10.763 10.459 2.856 52 HH11 ARG 8 HH12 ARG 8 -10.706 13.615 4.365 53 HH12 ARG 8 HH11 ARG 8 -10.625 14.482 2.858 54 HH21 ARG 8 HH22 ARG 8 -10.609 11.598 0.865 55 HH22 ARG 8 HH21 ARG 8 -10.569 13.337 0.872 56 H ASN 9 H ASN 9 -7.101 9.041 7.181 57 HA ASN 9 HA ASN 9 -7.234 7.274 8.617 58 HB2 ASN 9 HB2 ASN 9 -9.693 7.766 7.986 59 HB3 ASN 9 HB3 ASN 9 -9.591 6.310 7.015 60 HD21 ASN 9 HD21 ASN 9 -11.189 5.346 8.294 61 HD22 ASN 9 HD22 ASN 9 -10.841 4.733 9.875 62 H ALA 10 H ALA 10 -5.633 6.967 6.233 63 HA ALA 10 HA ALA 10 -5.973 4.284 5.272 64 HB1 ALA 10 HB1 ALA 10 -4.041 4.695 3.934 65 HB2 ALA 10 HB2 ALA 10 -5.028 6.154 3.914 66 HB3 ALA 10 HB3 ALA 10 -3.586 6.081 4.925 67 H VAL 11 H VAL 11 -5.453 2.563 6.411 68 HA VAL 11 HA VAL 11 -2.978 2.520 7.989 69 HB VAL 11 HB VAL 11 -5.609 1.520 9.122 70 HG11 VAL 11 HG11 VAL 11 -3.672 0.314 9.947 71 HG12 VAL 11 HG12 VAL 11 -2.889 1.831 10.386 72 HG13 VAL 11 HG13 VAL 11 -4.356 1.322 11.222 73 HG21 VAL 11 HG21 VAL 11 -5.512 3.390 10.697 74 HG22 VAL 11 HG22 VAL 11 -4.111 4.035 9.844 75 HG23 VAL 11 HG23 VAL 11 -5.675 3.948 9.033 76 H LEU 12 H LEU 12 -2.191 0.339 8.336 77 HA LEU 12 HA LEU 12 -3.106 -1.492 6.271 78 HB2 LEU 12 HB2 LEU 12 -0.597 -0.929 7.486 79 HB3 LEU 12 HB3 LEU 12 -0.995 -2.599 7.840 80 HG LEU 12 HG LEU 12 -1.138 -3.153 5.521 81 HD11 LEU 12 HD11 LEU 12 -0.777 -0.209 4.965 82 HD12 LEU 12 HD12 LEU 12 -0.813 -1.489 3.753 83 HD13 LEU 12 HD13 LEU 12 -2.250 -1.145 4.714 84 HD21 LEU 12 HD21 LEU 12 1.250 -1.376 6.001 85 HD22 LEU 12 HD22 LEU 12 1.110 -3.072 6.461 86 HD23 LEU 12 HD23 LEU 12 1.121 -2.618 4.757 87 H THR 13 H THR 13 -3.828 -3.591 6.676 88 HA THR 13 HA THR 13 -4.480 -4.241 9.469 89 HB THR 13 HB THR 13 -6.368 -4.739 7.156 90 HG1 THR 13 HG1 THR 13 -5.836 -2.403 8.523 91 HG21 THR 13 HG21 THR 13 -6.785 -4.638 10.153 92 HG22 THR 13 HG22 THR 13 -6.727 -6.100 9.169 93 HG23 THR 13 HG23 THR 13 -8.039 -4.941 8.950 94 H ASN 14 H ASN 14 -5.042 -6.569 9.723 95 HA ASN 14 HA ASN 14 -4.731 -8.802 9.438 96 HB2 ASN 14 HB2 ASN 14 -5.240 -7.973 6.911 97 HB3 ASN 14 HB3 ASN 14 -3.623 -8.642 6.708 98 HD21 ASN 14 HD21 ASN 14 -5.985 -9.681 5.548 99 HD22 ASN 14 HD22 ASN 14 -6.230 -11.272 6.184 100 H GLY 15 H GLY 15 -2.473 -6.610 9.702 101 HA2 GLY 15 HA3 GLY 15 -0.351 -6.993 10.669 102 HA3 GLY 15 HA2 GLY 15 -0.329 -8.589 9.930 103 H GLY 16 H GLY 16 -1.287 -5.849 8.069 104 HA2 GLY 16 HA3 GLY 16 0.020 -4.496 6.637 105 HA3 GLY 16 HA2 GLY 16 1.381 -5.577 6.896 106 H ARG 17 H ARG 17 -1.793 -6.775 6.166 107 HA ARG 17 HA ARG 17 -0.797 -7.643 3.540 108 HB2 ARG 17 HB2 ARG 17 -3.061 -8.990 4.977 109 HB3 ARG 17 HB3 ARG 17 -1.957 -9.652 3.780 110 HG2 ARG 17 HG2 ARG 17 -0.135 -9.458 5.501 111 HG3 ARG 17 HG3 ARG 17 -1.382 -9.043 6.665 112 HD2 ARG 17 HD2 ARG 17 -0.817 -11.409 6.781 113 HD3 ARG 17 HD3 ARG 17 -2.489 -11.161 6.287 114 HE ARG 17 HE ARG 17 -0.661 -11.510 4.081 115 HH11 ARG 17 HH12 ARG 17 -2.626 -13.125 6.485 116 HH12 ARG 17 HH11 ARG 17 -2.878 -14.546 5.520 117 HH21 ARG 17 HH22 ARG 17 -0.992 -13.399 2.794 118 HH22 ARG 17 HH21 ARG 17 -1.942 -14.706 3.437 119 H THR 18 H THR 18 -3.098 -5.744 5.165 120 HA THR 18 HA THR 18 -4.623 -5.446 2.670 121 HB THR 18 HB THR 18 -5.786 -5.402 5.460 122 HG1 THR 18 HG1 THR 18 -6.324 -7.240 3.338 123 HG21 THR 18 HG21 THR 18 -7.137 -5.115 2.771 124 HG22 THR 18 HG22 THR 18 -6.904 -3.823 3.950 125 HG23 THR 18 HG23 THR 18 -7.952 -5.191 4.334 126 H LEU 19 H LEU 19 -4.775 -3.462 1.957 127 HA LEU 19 HA LEU 19 -3.925 -1.224 3.638 128 HB2 LEU 19 HB2 LEU 19 -2.795 -1.472 1.512 129 HB3 LEU 19 HB3 LEU 19 -4.326 -1.528 0.662 130 HG LEU 19 HG LEU 19 -4.740 0.820 1.250 131 HD11 LEU 19 HD11 LEU 19 -2.911 2.158 2.209 132 HD12 LEU 19 HD12 LEU 19 -3.526 0.952 3.340 133 HD13 LEU 19 HD13 LEU 19 -2.000 0.676 2.499 134 HD21 LEU 19 HD21 LEU 19 -2.999 1.779 -0.203 135 HD22 LEU 19 HD22 LEU 19 -2.083 0.274 -0.070 136 HD23 LEU 19 HD23 LEU 19 -3.663 0.278 -0.854 137 H ARG 20 H ARG 20 -5.545 -0.256 4.694 138 HA ARG 20 HA ARG 20 -8.162 -0.011 3.353 139 HB2 ARG 20 HB2 ARG 20 -7.900 -1.334 5.550 140 HB3 ARG 20 HB3 ARG 20 -7.634 0.222 6.316 141 HG2 ARG 20 HG2 ARG 20 -10.120 -0.459 4.766 142 HG3 ARG 20 HG3 ARG 20 -9.949 -0.712 6.501 143 HD2 ARG 20 HD2 ARG 20 -9.980 1.876 4.976 144 HD3 ARG 20 HD3 ARG 20 -11.066 1.347 6.258 145 HE ARG 20 HE ARG 20 -8.421 2.502 6.555 146 HH11 ARG 20 HH12 ARG 20 -11.059 0.802 8.132 147 HH12 ARG 20 HH11 ARG 20 -10.600 1.328 9.725 148 HH21 ARG 20 HH22 ARG 20 -7.845 3.202 8.639 149 HH22 ARG 20 HH21 ARG 20 -8.777 2.694 10.015 150 H ALA 21 H ALA 21 -8.734 1.987 2.752 151 HA ALA 21 HA ALA 21 -7.976 4.296 4.356 152 HB1 ALA 21 HB1 ALA 21 -6.972 5.495 2.472 153 HB2 ALA 21 HB2 ALA 21 -6.062 4.030 2.840 154 HB3 ALA 21 HB3 ALA 21 -7.152 4.065 1.455 155 H GLU 22 H GLU 22 -9.210 6.176 3.829 156 HA GLU 22 HA GLU 22 -11.662 5.514 2.338 157 HB2 GLU 22 HB2 GLU 22 -11.377 7.862 4.189 158 HB3 GLU 22 HB3 GLU 22 -12.837 7.010 3.706 159 HG2 GLU 22 HG2 GLU 22 -11.888 5.012 4.968 160 HG3 GLU 22 HG3 GLU 22 -10.735 6.157 5.657 161 H CYS 23 H CYS 23 -11.595 6.245 0.317 162 HA CYS 23 HA CYS 23 -10.398 8.897 -0.140 163 HB2 CYS 23 HB2 CYS 23 -9.134 7.008 -1.175 164 HB3 CYS 23 HB3 CYS 23 -10.563 6.629 -2.131 165 HG CYS 23 HG CYS 23 -10.501 8.783 -3.738 166 H ARG 24 H ARG 24 -11.471 10.311 -1.426 167 HA ARG 24 HA ARG 24 -14.299 9.966 -1.593 168 HB2 ARG 24 HB2 ARG 24 -14.204 12.190 -1.408 169 HB3 ARG 24 HB3 ARG 24 -12.458 12.148 -1.595 170 HG2 ARG 24 HG2 ARG 24 -14.257 12.086 -3.983 171 HG3 ARG 24 HG3 ARG 24 -13.850 13.607 -3.186 172 HD2 ARG 24 HD2 ARG 24 -11.644 13.493 -3.800 173 HD3 ARG 24 HD3 ARG 24 -11.650 11.730 -3.886 174 HE ARG 24 HE ARG 24 -13.007 12.022 -5.967 175 HH11 ARG 24 HH12 ARG 24 -10.878 14.561 -4.825 176 HH12 ARG 24 HH11 ARG 24 -10.580 15.207 -6.412 177 HH21 ARG 24 HH22 ARG 24 -12.579 12.864 -8.078 178 HH22 ARG 24 HH21 ARG 24 -11.548 14.252 -8.246 179 H ASN 25 H ASN 25 -15.565 9.785 -3.438 180 HA ASN 25 HA ASN 25 -14.210 8.527 -5.683 181 HB2 ASN 25 HB2 ASN 25 -16.350 7.728 -6.354 182 HB3 ASN 25 HB3 ASN 25 -16.271 7.577 -4.608 183 HD21 ASN 25 HD21 ASN 25 -18.596 7.667 -6.311 184 HD22 ASN 25 HD22 ASN 25 -19.534 9.023 -5.778 185 H ALA 26 H ALA 26 -15.684 9.060 -7.853 186 HA ALA 26 HA ALA 26 -14.732 11.529 -8.743 187 HB1 ALA 26 HB1 ALA 26 -15.295 9.706 -10.246 188 HB2 ALA 26 HB2 ALA 26 -17.005 9.902 -9.867 189 HB3 ALA 26 HB3 ALA 26 -16.137 11.185 -10.711 190 H ASP 27 H ASP 27 -17.763 10.712 -7.204 191 HA ASP 27 HA ASP 27 -19.088 13.174 -7.841 192 HB2 ASP 27 HB2 ASP 27 -20.303 11.071 -7.327 193 HB3 ASP 27 HB3 ASP 27 -19.722 11.165 -5.673 194 H GLY 28 H GLY 28 -16.911 12.112 -5.378 195 HA2 GLY 28 HA3 GLY 28 -15.692 13.790 -4.134 196 HA3 GLY 28 HA2 GLY 28 -17.165 14.746 -4.077 197 H ASN 29 H ASN 29 -18.081 11.625 -3.594 198 HA ASN 29 HA ASN 29 -18.433 12.065 -0.746 199 HB2 ASN 29 HB2 ASN 29 -20.100 10.929 -2.411 200 HB3 ASN 29 HB3 ASN 29 -19.087 9.514 -2.169 201 HD21 ASN 29 HD21 ASN 29 -19.101 8.443 -0.211 202 HD22 ASN 29 HD22 ASN 29 -20.292 8.754 1.001 203 H TRP 30 H TRP 30 -17.503 10.857 0.878 204 HA TRP 30 HA TRP 30 -14.936 9.708 0.266 205 HB2 TRP 30 HB2 TRP 30 -16.434 9.992 2.878 206 HB3 TRP 30 HB3 TRP 30 -14.816 9.310 2.742 207 HD1 TRP 30 HD1 TRP 30 -14.626 11.883 0.314 208 HE1 TRP 30 HE1 TRP 30 -13.730 14.101 1.267 209 HE3 TRP 30 HE3 TRP 30 -15.244 10.918 5.292 210 HZ2 TRP 30 HZ2 TRP 30 -13.326 15.269 3.804 211 HZ3 TRP 30 HZ3 TRP 30 -14.572 12.634 6.920 212 HH2 TRP 30 HH2 TRP 30 -13.633 14.767 6.189 213 H VAL 31 H VAL 31 -14.462 7.658 -0.015 214 HA VAL 31 HA VAL 31 -16.485 5.633 0.690 215 HB VAL 31 HB VAL 31 -14.626 5.390 -1.665 216 HG11 VAL 31 HG11 VAL 31 -16.271 3.752 -2.437 217 HG12 VAL 31 HG12 VAL 31 -15.621 3.331 -0.852 218 HG13 VAL 31 HG13 VAL 31 -17.233 4.038 -0.986 219 HG21 VAL 31 HG21 VAL 31 -17.410 6.547 -1.687 220 HG22 VAL 31 HG22 VAL 31 -15.911 7.394 -2.076 221 HG23 VAL 31 HG23 VAL 31 -16.490 6.093 -3.120 222 H THR 32 H THR 32 -15.723 4.155 2.078 223 HA THR 32 HA THR 32 -12.922 4.030 2.685 224 HB THR 32 HB THR 32 -15.068 2.122 3.625 225 HG1 THR 32 HG1 THR 32 -14.275 4.387 5.119 226 HG21 THR 32 HG21 THR 32 -12.771 1.443 4.107 227 HG22 THR 32 HG22 THR 32 -13.598 1.917 5.592 228 HG23 THR 32 HG23 THR 32 -12.446 3.017 4.834 229 H SER 33 H SER 33 -11.609 3.084 1.267 230 HA SER 33 HA SER 33 -12.554 0.693 -0.163 231 HB2 SER 33 HB2 SER 33 -10.270 2.498 -0.967 232 HB3 SER 33 HB3 SER 33 -11.094 1.288 -1.953 233 HG SER 33 HG SER 33 -12.575 2.705 -2.411 234 H GLU 34 H GLU 34 -11.311 -1.122 -0.230 235 HA GLU 34 HA GLU 34 -8.869 -1.152 1.402 236 HB2 GLU 34 HB2 GLU 34 -10.794 -3.464 1.270 237 HB3 GLU 34 HB3 GLU 34 -9.501 -3.184 2.428 238 HG2 GLU 34 HG2 GLU 34 -10.791 -1.218 3.263 239 HG3 GLU 34 HG3 GLU 34 -12.117 -1.724 2.225 240 H LEU 35 H LEU 35 -7.208 -2.415 0.647 241 HA LEU 35 HA LEU 35 -7.662 -4.074 -1.727 242 HB2 LEU 35 HB2 LEU 35 -6.792 -1.612 -2.191 243 HB3 LEU 35 HB3 LEU 35 -5.263 -2.282 -1.670 244 HG LEU 35 HG LEU 35 -6.902 -3.126 -4.062 245 HD11 LEU 35 HD11 LEU 35 -4.914 -2.430 -5.304 246 HD12 LEU 35 HD12 LEU 35 -5.598 -1.103 -4.364 247 HD13 LEU 35 HD13 LEU 35 -4.150 -1.932 -3.794 248 HD21 LEU 35 HD21 LEU 35 -5.165 -4.760 -4.557 249 HD22 LEU 35 HD22 LEU 35 -4.334 -4.355 -3.054 250 HD23 LEU 35 HD23 LEU 35 -5.922 -5.119 -3.005 251 H ASP 36 H ASP 36 -6.837 -5.992 -1.307 252 HA ASP 36 HA ASP 36 -5.107 -6.463 0.898 253 HB2 ASP 36 HB2 ASP 36 -6.384 -8.089 -1.227 254 HB3 ASP 36 HB3 ASP 36 -4.935 -8.756 -0.495 255 H LEU 37 H LEU 37 -3.104 -5.754 0.858 256 HA LEU 37 HA LEU 37 -1.536 -5.207 -1.404 257 HB2 LEU 37 HB2 LEU 37 -0.632 -5.933 1.379 258 HB3 LEU 37 HB3 LEU 37 0.332 -5.117 0.156 259 HG LEU 37 HG LEU 37 -2.184 -4.008 1.315 260 HD11 LEU 37 HD11 LEU 37 -0.814 -2.696 2.740 261 HD12 LEU 37 HD12 LEU 37 -0.422 -4.407 2.959 262 HD13 LEU 37 HD13 LEU 37 0.648 -3.373 2.011 263 HD21 LEU 37 HD21 LEU 37 0.011 -2.710 -0.277 264 HD22 LEU 37 HD22 LEU 37 -1.572 -3.172 -0.909 265 HD23 LEU 37 HD23 LEU 37 -1.446 -1.926 0.334 266 H ASP 38 H ASP 38 -1.814 -7.945 0.730 267 HA ASP 38 HA ASP 38 0.311 -9.474 -0.291 268 HB2 ASP 38 HB2 ASP 38 -0.560 -11.309 0.930 269 HB3 ASP 38 HB3 ASP 38 -0.895 -9.875 1.893 270 H THR 39 H THR 39 -2.440 -8.500 -1.858 271 HA THR 39 HA THR 39 -2.487 -10.963 -3.473 272 HB THR 39 HB THR 39 -4.649 -9.830 -2.413 273 HG1 THR 39 HG1 THR 39 -4.147 -11.410 -4.629 274 HG21 THR 39 HG21 THR 39 -4.461 -8.575 -5.155 275 HG22 THR 39 HG22 THR 39 -4.392 -7.707 -3.622 276 HG23 THR 39 HG23 THR 39 -5.870 -8.543 -4.097 277 H ILE 40 H ILE 40 -1.298 -7.804 -3.531 278 HA ILE 40 HA ILE 40 -0.738 -8.085 -6.396 279 HB ILE 40 HB ILE 40 -1.142 -5.598 -6.681 280 HG12 ILE 40 HG13 ILE 40 -3.147 -4.968 -5.023 281 HG13 ILE 40 3HG1 ILE 40 -2.234 -6.025 -3.954 282 HG21 ILE 40 HG21 ILE 40 -3.516 -7.377 -6.163 283 HG22 ILE 40 HG22 ILE 40 -3.532 -5.893 -7.113 284 HG23 ILE 40 HG23 ILE 40 -2.593 -7.281 -7.662 285 HD11 ILE 40 HD11 ILE 40 -1.177 -3.567 -5.321 286 HD12 ILE 40 HD12 ILE 40 -1.642 -3.701 -3.625 287 HD13 ILE 40 HD13 ILE 40 -0.270 -4.625 -4.238 288 H ILE 41 H ILE 41 0.605 -7.957 -3.554 289 HA ILE 41 HA ILE 41 2.878 -6.314 -4.470 290 HB ILE 41 HB ILE 41 1.818 -6.547 -1.653 291 HG12 ILE 41 HG13 ILE 41 1.708 -4.448 -3.758 292 HG13 ILE 41 3HG1 ILE 41 0.517 -4.887 -2.539 293 HG21 ILE 41 HG21 ILE 41 4.253 -6.573 -1.649 294 HG22 ILE 41 HG22 ILE 41 4.275 -5.088 -2.601 295 HG23 ILE 41 HG23 ILE 41 3.611 -5.077 -0.964 296 HD11 ILE 41 HD11 ILE 41 3.039 -3.328 -2.053 297 HD12 ILE 41 HD12 ILE 41 1.406 -2.664 -2.148 298 HD13 ILE 41 HD13 ILE 41 1.838 -3.759 -0.834 299 H GLY 42 H GLY 42 4.774 -7.364 -4.494 300 HA2 GLY 42 HA3 GLY 42 4.903 -9.918 -3.012 301 HA3 GLY 42 HA2 GLY 42 5.451 -9.796 -4.675 302 H ASN 43 H ASN 43 7.036 -10.660 -2.511 303 HA ASN 43 HA ASN 43 8.955 -8.446 -2.296 304 HB2 ASN 43 HB2 ASN 43 8.345 -9.069 -0.090 305 HB3 ASN 43 HB3 ASN 43 8.443 -10.783 -0.460 306 HD21 ASN 43 HD21 ASN 43 9.848 -11.184 1.223 307 HD22 ASN 43 HD22 ASN 43 11.517 -10.691 1.186 308 H ASN 44 H ASN 44 10.533 -8.603 -3.663 309 HA ASN 44 HA ASN 44 11.422 -11.250 -4.573 310 HB2 ASN 44 HB2 ASN 44 10.709 -9.589 -6.303 311 HB3 ASN 44 HB3 ASN 44 12.004 -8.524 -5.764 312 HD21 ASN 44 HD21 ASN 44 13.040 -8.543 -7.741 313 HD22 ASN 44 HD22 ASN 44 13.888 -9.934 -8.328 314 H ASP 45 H ASP 45 12.668 -11.724 -2.749 315 HA ASP 45 HA ASP 45 14.406 -11.677 -1.282 316 HB2 ASP 45 HB2 ASP 45 16.656 -11.412 -2.379 317 HB3 ASP 45 HB3 ASP 45 15.598 -12.614 -3.094 318 H GLY 46 H GLY 46 13.133 -9.570 -0.558 319 HA2 GLY 46 HA3 GLY 46 13.569 -7.707 0.746 320 HA3 GLY 46 HA2 GLY 46 15.242 -7.765 0.217 321 H HIS 47 H HIS 47 12.421 -7.660 -1.872 322 HA HIS 47 HA HIS 47 12.828 -4.844 -2.475 323 HB2 HIS 47 HB2 HIS 47 13.160 -6.981 -4.601 324 HB3 HIS 47 HB3 HIS 47 13.063 -5.252 -4.913 325 HD1 HIS 47 HD1 HIS 47 15.415 -7.940 -4.049 326 HD2 HIS 47 HD2 HIS 47 15.353 -3.781 -3.932 327 HE1 HIS 47 HE1 HIS 47 17.814 -7.230 -3.799 328 HE2 HIS 47 HE2 HIS 47 17.733 -4.720 -3.547 329 H PHE 48 H PHE 48 10.816 -4.054 -2.408 330 HA PHE 48 HA PHE 48 8.484 -5.615 -2.658 331 HB2 PHE 48 HB2 PHE 48 8.965 -2.649 -2.771 332 HB3 PHE 48 HB3 PHE 48 7.359 -3.324 -3.029 333 HD1 PHE 48 HD1 PHE 48 6.584 -5.024 -1.172 334 HD2 PHE 48 HD2 PHE 48 9.566 -2.035 -0.649 335 HE1 PHE 48 HE1 PHE 48 6.209 -5.085 1.257 336 HE2 PHE 48 HE2 PHE 48 9.200 -2.094 1.783 337 HZ PHE 48 HZ PHE 48 7.520 -3.617 2.739 338 H GLN 49 H GLN 49 7.199 -6.131 -4.325 339 HA GLN 49 HA GLN 49 7.867 -5.037 -6.964 340 HB2 GLN 49 HB2 GLN 49 8.853 -7.151 -7.087 341 HB3 GLN 49 HB3 GLN 49 7.603 -7.902 -6.108 342 HG2 GLN 49 HG2 GLN 49 6.068 -7.920 -7.896 343 HG3 GLN 49 HG3 GLN 49 7.056 -6.825 -8.856 344 HE21 GLN 49 HE21 GLN 49 6.021 -9.488 -9.504 345 HE22 GLN 49 HE22 GLN 49 7.399 -10.460 -9.882 346 H TRP 50 H TRP 50 6.169 -3.964 -7.670 347 HA TRP 50 HA TRP 50 3.539 -4.384 -6.687 348 HB2 TRP 50 HB2 TRP 50 4.637 -2.780 -9.000 349 HB3 TRP 50 HB3 TRP 50 2.911 -2.864 -8.656 350 HD1 TRP 50 HD1 TRP 50 5.931 -0.901 -7.773 351 HE1 TRP 50 HE1 TRP 50 5.419 0.678 -5.794 352 HE3 TRP 50 HE3 TRP 50 1.467 -2.894 -6.277 353 HZ2 TRP 50 HZ2 TRP 50 3.394 1.018 -3.868 354 HZ3 TRP 50 HZ3 TRP 50 0.311 -1.887 -4.359 355 HH2 TRP 50 HH2 TRP 50 1.255 0.029 -3.183 356 H GLY 51 H GLY 51 2.341 -6.064 -7.147 357 HA2 GLY 51 HA3 GLY 51 1.004 -7.308 -8.688 358 HA3 GLY 51 HA2 GLY 51 2.222 -7.030 -9.926 359 H GLY 52 H GLY 52 2.977 -8.061 -6.662 360 HA2 GLY 52 HA3 GLY 52 4.042 -10.552 -7.800 361 HA3 GLY 52 HA2 GLY 52 4.572 -9.808 -6.300 362 H GLN 53 H GLN 53 2.380 -9.439 -4.854 363 HA GLN 53 HA GLN 53 0.770 -10.372 -3.565 364 HB2 GLN 53 HB2 GLN 53 -0.538 -11.080 -5.359 365 HB3 GLN 53 HB3 GLN 53 0.643 -12.267 -5.887 366 HG2 GLN 53 HG2 GLN 53 0.125 -13.609 -3.876 367 HG3 GLN 53 HG3 GLN 53 -1.120 -12.434 -3.458 368 HE21 GLN 53 HE21 GLN 53 -0.168 -14.947 -5.638 369 HE22 GLN 53 HE22 GLN 53 -1.728 -15.206 -6.346 370 H ASN 54 H ASN 54 0.698 -11.734 -1.827 371 HA ASN 54 HA ASN 54 1.435 -13.111 -0.207 372 HB2 ASN 54 HB2 ASN 54 2.590 -14.539 -2.581 373 HB3 ASN 54 HB3 ASN 54 2.983 -15.067 -0.948 374 HD21 ASN 54 HD21 ASN 54 1.944 -16.996 -1.083 375 HD22 ASN 54 HD22 ASN 54 0.219 -17.153 -1.181 376 H PHE 55 H PHE 55 2.791 -10.705 -0.707 377 HA PHE 55 HA PHE 55 5.616 -11.185 -0.445 378 HB2 PHE 55 HB2 PHE 55 5.891 -8.866 -0.478 379 HB3 PHE 55 HB3 PHE 55 4.424 -9.070 -1.418 380 HD1 PHE 55 HD2 PHE 55 2.199 -8.683 -0.272 381 HD2 PHE 55 HD1 PHE 55 5.923 -7.514 1.427 382 HE1 PHE 55 HE2 PHE 55 1.028 -7.095 1.192 383 HE2 PHE 55 HE1 PHE 55 4.755 -5.921 2.895 384 HZ PHE 55 HZ PHE 55 2.306 -5.709 2.776 385 H THR 56 H THR 56 2.870 -10.763 1.583 386 HA THR 56 HA THR 56 4.119 -10.103 4.000 387 HB THR 56 HB THR 56 1.973 -11.085 4.990 388 HG1 THR 56 HG1 THR 56 1.411 -12.511 3.302 389 HG21 THR 56 HG21 THR 56 0.597 -9.235 3.940 390 HG22 THR 56 HG22 THR 56 1.981 -8.918 2.898 391 HG23 THR 56 HG23 THR 56 2.134 -8.737 4.646 392 H GLU 57 H GLU 57 3.838 -13.121 2.317 393 HA GLU 57 HA GLU 57 4.281 -14.813 4.561 394 HB2 GLU 57 HB2 GLU 57 4.492 -16.579 3.027 395 HB3 GLU 57 HB3 GLU 57 3.385 -15.462 2.239 396 HG2 GLU 57 HG2 GLU 57 5.071 -14.692 0.776 397 HG3 GLU 57 HG3 GLU 57 6.323 -15.524 1.693 398 H THR 58 H THR 58 6.250 -12.700 2.806 399 HA THR 58 HA THR 58 8.669 -13.893 3.989 400 HB THR 58 HB THR 58 9.953 -13.037 2.065 401 HG1 THR 58 HG1 THR 58 7.487 -11.922 1.472 402 HG21 THR 58 HG21 THR 58 7.656 -14.696 1.047 403 HG22 THR 58 HG22 THR 58 8.929 -15.355 2.074 404 HG23 THR 58 HG23 THR 58 9.327 -14.701 0.482 405 H ALA 59 H ALA 59 6.608 -11.542 4.427 406 HA ALA 59 HA ALA 59 8.667 -9.519 4.973 407 HB1 ALA 59 HB1 ALA 59 5.768 -8.973 4.370 408 HB2 ALA 59 HB2 ALA 59 7.044 -7.784 4.632 409 HB3 ALA 59 HB3 ALA 59 7.085 -8.823 3.206 410 H GLU 60 H GLU 60 8.665 -8.521 6.896 411 HA GLU 60 HA GLU 60 6.682 -9.325 8.913 412 HB2 GLU 60 HB2 GLU 60 9.426 -9.000 9.922 413 HB3 GLU 60 HB3 GLU 60 8.230 -10.228 10.311 414 HG2 GLU 60 HG2 GLU 60 8.794 -11.380 8.190 415 HG3 GLU 60 HG3 GLU 60 10.072 -10.188 7.924 416 H ASP 61 H ASP 61 6.953 -7.837 10.909 417 HA ASP 61 HA ASP 61 6.709 -5.692 11.713 418 HB2 ASP 61 HB2 ASP 61 9.302 -6.194 11.442 419 HB3 ASP 61 HB3 ASP 61 9.190 -4.937 10.227 420 H ILE 62 H ILE 62 5.023 -5.826 9.693 421 HA ILE 62 HA ILE 62 5.644 -3.842 7.673 422 HB ILE 62 HB ILE 62 2.978 -5.195 7.956 423 HG12 ILE 62 HG13 ILE 62 5.583 -6.345 6.934 424 HG13 ILE 62 3HG1 ILE 62 4.482 -7.038 8.116 425 HG21 ILE 62 HG21 ILE 62 4.591 -4.211 5.597 426 HG22 ILE 62 HG22 ILE 62 3.010 -4.988 5.500 427 HG23 ILE 62 HG23 ILE 62 3.176 -3.427 6.302 428 HD11 ILE 62 HD11 ILE 62 2.840 -7.434 6.356 429 HD12 ILE 62 HD12 ILE 62 3.946 -6.732 5.173 430 HD13 ILE 62 HD13 ILE 62 4.378 -8.225 6.006 431 H ARG 63 H ARG 63 5.462 -1.796 8.210 432 HA ARG 63 HA ARG 63 3.012 -0.916 9.588 433 HB2 ARG 63 HB2 ARG 63 4.632 1.066 10.300 434 HB3 ARG 63 HB3 ARG 63 4.492 -0.403 11.256 435 HG2 ARG 63 HG2 ARG 63 6.506 -0.734 9.238 436 HG3 ARG 63 HG3 ARG 63 6.815 0.723 10.188 437 HD2 ARG 63 HD2 ARG 63 7.839 -1.395 11.075 438 HD3 ARG 63 HD3 ARG 63 6.839 -0.499 12.220 439 HE ARG 63 HE ARG 63 5.797 -2.812 10.723 440 HH11 ARG 63 HH12 ARG 63 6.389 -1.152 13.739 441 HH12 ARG 63 HH11 ARG 63 5.486 -2.284 14.696 442 HH21 ARG 63 HH22 ARG 63 4.575 -4.298 11.962 443 HH22 ARG 63 HH21 ARG 63 4.419 -4.059 13.676 444 H PHE 64 H PHE 64 1.838 0.460 8.454 445 HA PHE 64 HA PHE 64 2.917 1.503 5.955 446 HB2 PHE 64 HB2 PHE 64 0.814 0.358 5.757 447 HB3 PHE 64 HB3 PHE 64 0.112 1.310 7.060 448 HD1 PHE 64 HD1 PHE 64 2.073 2.371 4.062 449 HD2 PHE 64 HD2 PHE 64 -1.624 2.491 6.161 450 HE1 PHE 64 HE1 PHE 64 1.213 4.019 2.451 451 HE2 PHE 64 HE2 PHE 64 -2.482 4.124 4.545 452 HZ PHE 64 HZ PHE 64 -1.072 4.887 2.684 453 H HIS 65 H HIS 65 3.201 3.576 5.477 454 HA HIS 65 HA HIS 65 2.412 5.585 7.486 455 HB2 HIS 65 HB2 HIS 65 4.963 4.972 7.218 456 HB3 HIS 65 HB3 HIS 65 4.849 6.007 5.796 457 HD1 HIS 65 HD1 HIS 65 4.248 6.135 9.535 458 HD2 HIS 65 HD2 HIS 65 4.993 8.683 6.333 459 HE1 HIS 65 HE1 HIS 65 4.589 8.412 10.545 460 HE2 HIS 65 HE2 HIS 65 4.900 9.965 8.583 461 HA PRO 66 HA PRO 66 0.044 6.410 3.630 462 HB2 PRO 66 HB2 PRO 66 -1.501 8.242 5.096 463 HB3 PRO 66 HB3 PRO 66 -1.915 6.591 4.687 464 HG2 PRO 66 HG2 PRO 66 -0.860 7.693 7.209 465 HG3 PRO 66 HG3 PRO 66 -1.908 6.288 6.946 466 HD2 PRO 66 HD2 PRO 66 0.698 6.060 7.596 467 HD3 PRO 66 HD3 PRO 66 -0.127 4.877 6.560 468 H LYS 67 H LYS 67 1.112 8.771 5.930 469 HA LYS 67 HA LYS 67 1.634 10.603 3.694 470 HB2 LYS 67 HB2 LYS 67 1.214 12.452 5.491 471 HB3 LYS 67 HB3 LYS 67 -0.138 11.714 4.647 472 HG2 LYS 67 HG2 LYS 67 0.635 10.375 7.138 473 HG3 LYS 67 HG3 LYS 67 0.030 12.021 7.333 474 HD2 LYS 67 HD2 LYS 67 -1.433 9.981 5.679 475 HD3 LYS 67 HD3 LYS 67 -1.652 10.081 7.425 476 HE2 LYS 67 HE2 LYS 67 -3.393 11.360 6.447 477 HE3 LYS 67 HE3 LYS 67 -2.235 12.507 7.109 478 HZ1 LYS 67 HZ1 LYS 67 -2.377 11.711 4.249 479 HZ2 LYS 67 HZ2 LYS 67 -1.370 12.908 4.914 480 HZ3 LYS 67 HZ3 LYS 67 -3.050 13.125 4.893 481 H GLU 68 H GLU 68 3.767 9.889 3.612 482 HA GLU 68 HA GLU 68 5.498 9.952 5.834 483 HB2 GLU 68 HB2 GLU 68 6.181 8.632 3.977 484 HB3 GLU 68 HB3 GLU 68 6.064 10.002 2.879 485 HG2 GLU 68 HG2 GLU 68 7.992 11.010 3.752 486 HG3 GLU 68 HG3 GLU 68 7.992 9.968 5.175 487 H GLY 69 H GLY 69 6.109 11.591 6.951 488 HA2 GLY 69 HA3 GLY 69 6.606 13.720 7.607 489 HA3 GLY 69 HA2 GLY 69 7.541 13.766 6.122 490 H ALA 70 H ALA 70 7.155 15.948 5.854 491 HA ALA 70 HA ALA 70 4.461 16.949 5.624 492 HB1 ALA 70 HB1 ALA 70 6.252 18.391 6.457 493 HB2 ALA 70 HB2 ALA 70 7.095 18.246 4.914 494 HB3 ALA 70 HB3 ALA 70 5.534 19.060 4.991 495 H ALA 71 H ALA 71 6.412 15.111 3.704 496 HA ALA 71 HA ALA 71 5.856 16.230 1.138 497 HB1 ALA 71 HB1 ALA 71 7.818 14.831 1.507 498 HB2 ALA 71 HB2 ALA 71 6.782 13.456 1.892 499 HB3 ALA 71 HB3 ALA 71 6.781 14.135 0.263 500 H GLU 72 H GLU 72 4.214 14.211 3.346 501 HA GLU 72 HA GLU 72 2.218 13.148 3.369 502 HB2 GLU 72 HB2 GLU 72 1.714 15.104 1.130 503 HB3 GLU 72 HB3 GLU 72 0.465 14.062 1.797 504 HG2 GLU 72 HG2 GLU 72 2.061 16.000 3.439 505 HG3 GLU 72 HG3 GLU 72 0.515 16.393 2.687 506 H GLN 73 H GLN 73 4.188 11.713 2.078 507 HA GLN 73 HA GLN 73 2.757 10.629 -0.250 508 HB2 GLN 73 HB2 GLN 73 5.698 10.657 0.379 509 HB3 GLN 73 HB3 GLN 73 5.006 9.613 -0.859 510 HG2 GLN 73 HG2 GLN 73 4.051 11.674 -1.924 511 HG3 GLN 73 HG3 GLN 73 5.006 12.617 -0.784 512 HE21 GLN 73 HE21 GLN 73 5.096 10.490 -3.526 513 HE22 GLN 73 HE22 GLN 73 6.743 10.788 -3.969 514 HA PRO 74 HA PRO 74 2.038 7.053 2.238 515 HB2 PRO 74 HB2 PRO 74 0.801 5.591 0.328 516 HB3 PRO 74 HB3 PRO 74 0.006 6.938 1.152 517 HG2 PRO 74 HG2 PRO 74 1.324 6.868 -1.537 518 HG3 PRO 74 HG3 PRO 74 -0.210 7.621 -1.062 519 HD2 PRO 74 HD2 PRO 74 2.084 9.037 -1.341 520 HD3 PRO 74 HD3 PRO 74 0.827 9.475 -0.167 521 H ILE 75 H ILE 75 3.805 5.876 2.692 522 HA ILE 75 HA ILE 75 4.778 4.127 0.565 523 HB ILE 75 HB ILE 75 7.057 4.474 0.990 524 HG12 ILE 75 HG13 ILE 75 7.562 6.346 2.875 525 HG13 ILE 75 3HG1 ILE 75 6.153 5.562 3.585 526 HG21 ILE 75 HG21 ILE 75 6.199 6.243 -0.350 527 HG22 ILE 75 HG22 ILE 75 5.687 7.148 1.077 528 HG23 ILE 75 HG23 ILE 75 7.406 6.919 0.746 529 HD11 ILE 75 HD11 ILE 75 8.299 4.606 4.329 530 HD12 ILE 75 HD12 ILE 75 7.251 3.428 3.529 531 HD13 ILE 75 HD13 ILE 75 8.625 4.118 2.668 532 H LEU 76 H LEU 76 5.277 2.102 1.233 533 HA LEU 76 HA LEU 76 4.584 1.496 4.022 534 HB2 LEU 76 HB2 LEU 76 3.024 0.624 2.342 535 HB3 LEU 76 HB3 LEU 76 4.338 -0.203 1.540 536 HG LEU 76 HG LEU 76 2.679 -1.477 3.126 537 HD11 LEU 76 HD11 LEU 76 4.412 -3.140 3.562 538 HD12 LEU 76 HD12 LEU 76 4.545 -2.498 1.924 539 HD13 LEU 76 HD13 LEU 76 5.656 -1.952 3.179 540 HD21 LEU 76 HD21 LEU 76 3.046 -0.078 5.073 541 HD22 LEU 76 HD22 LEU 76 3.562 -1.736 5.382 542 HD23 LEU 76 HD23 LEU 76 4.762 -0.486 5.055 543 H ARG 77 H ARG 77 6.126 0.706 5.270 544 HA ARG 77 HA ARG 77 8.484 -0.469 3.974 545 HB2 ARG 77 HB2 ARG 77 9.950 0.480 5.580 546 HB3 ARG 77 HB3 ARG 77 8.909 1.789 5.049 547 HG2 ARG 77 HG2 ARG 77 8.323 0.243 7.549 548 HG3 ARG 77 HG3 ARG 77 9.440 1.607 7.540 549 HD2 ARG 77 HD2 ARG 77 6.596 1.721 6.579 550 HD3 ARG 77 HD3 ARG 77 7.111 2.191 8.196 551 HE ARG 77 HE ARG 77 7.948 3.544 5.709 552 HH11 ARG 77 HH12 ARG 77 7.156 3.613 9.129 553 HH12 ARG 77 HH11 ARG 77 7.550 5.297 9.306 554 HH21 ARG 77 HH22 ARG 77 8.501 5.772 5.974 555 HH22 ARG 77 HH21 ARG 77 8.307 6.509 7.538 556 H ALA 78 H ALA 78 9.266 -2.305 4.800 557 HA ALA 78 HA ALA 78 8.405 -3.437 7.299 558 HB1 ALA 78 HB1 ALA 78 6.433 -3.916 5.929 559 HB2 ALA 78 HB2 ALA 78 7.451 -4.711 4.729 560 HB3 ALA 78 HB3 ALA 78 7.289 -5.402 6.344 561 H ARG 79 H ARG 79 9.317 -5.718 7.513 562 HA ARG 79 HA ARG 79 12.017 -5.701 6.433 563 HB2 ARG 79 HB2 ARG 79 10.940 -7.946 8.110 564 HB3 ARG 79 HB3 ARG 79 12.576 -7.323 8.024 565 HG2 ARG 79 HG2 ARG 79 10.224 -6.168 9.482 566 HG3 ARG 79 HG3 ARG 79 11.742 -6.765 10.149 567 HD2 ARG 79 HD2 ARG 79 12.909 -4.911 8.947 568 HD3 ARG 79 HD3 ARG 79 11.318 -4.295 8.498 569 HE ARG 79 HE ARG 79 10.870 -3.960 10.875 570 HH11 ARG 79 HH12 ARG 79 14.216 -4.452 9.928 571 HH12 ARG 79 HH11 ARG 79 14.856 -3.581 11.298 572 HH21 ARG 79 HH22 ARG 79 11.716 -2.837 12.666 573 HH22 ARG 79 HH21 ARG 79 13.438 -2.673 12.841 574 H LEU 80 H LEU 80 12.368 -6.592 4.520 575 HA LEU 80 HA LEU 80 10.589 -8.714 3.586 576 HB2 LEU 80 HB2 LEU 80 12.304 -6.684 2.252 577 HB3 LEU 80 HB3 LEU 80 12.081 -8.219 1.438 578 HG LEU 80 HG LEU 80 9.797 -7.882 1.160 579 HD11 LEU 80 HD11 LEU 80 8.523 -6.098 2.214 580 HD12 LEU 80 HD12 LEU 80 9.209 -7.235 3.377 581 HD13 LEU 80 HD13 LEU 80 9.954 -5.653 3.143 582 HD21 LEU 80 HD21 LEU 80 11.036 -6.542 -0.368 583 HD22 LEU 80 HD22 LEU 80 9.602 -5.646 0.135 584 HD23 LEU 80 HD23 LEU 80 11.176 -5.245 0.822 585 H ARG 81 H ARG 81 11.239 -10.727 3.353 586 HA ARG 81 HA ARG 81 13.816 -11.481 4.343 587 HB2 ARG 81 HB2 ARG 81 11.941 -12.865 4.894 588 HB3 ARG 81 HB3 ARG 81 11.510 -13.063 3.203 589 HG2 ARG 81 HG2 ARG 81 14.207 -13.966 3.948 590 HG3 ARG 81 HG3 ARG 81 12.872 -14.880 4.639 591 HD2 ARG 81 HD2 ARG 81 11.927 -15.047 2.313 592 HD3 ARG 81 HD3 ARG 81 13.446 -14.355 1.738 593 HE ARG 81 HE ARG 81 14.586 -16.298 2.470 594 HH11 ARG 81 HH12 ARG 81 11.102 -16.552 2.677 595 HH12 ARG 81 HH11 ARG 81 11.100 -18.287 2.670 596 HH21 ARG 81 HH22 ARG 81 14.595 -18.582 2.494 597 HH22 ARG 81 HH21 ARG 81 13.089 -19.445 2.556 598 H ASP 82 H ASP 82 15.535 -12.196 3.284 599 HA ASP 82 HA ASP 82 15.585 -11.793 0.388 600 HB2 ASP 82 HB2 ASP 82 17.679 -11.822 2.522 601 HB3 ASP 82 HB3 ASP 82 18.136 -12.195 0.867 602 H CYS 83 H CYS 83 17.078 -13.387 -0.821 603 HA CYS 83 HA CYS 83 15.966 -15.927 -0.739 604 HB2 CYS 83 HB2 CYS 83 18.666 -15.092 -1.812 605 HB3 CYS 83 HB3 CYS 83 17.876 -16.622 -2.170 606 HG CYS 83 HG CYS 83 17.675 -13.901 -3.847 607 H ASN 84 H ASN 84 18.630 -14.633 1.072 608 HA ASN 84 HA ASN 84 19.817 -17.068 1.903 609 HB2 ASN 84 HB2 ASN 84 21.012 -14.968 2.046 610 HB3 ASN 84 HB3 ASN 84 19.810 -14.311 3.149 611 HD21 ASN 84 HD21 ASN 84 21.311 -13.867 4.715 612 HD22 ASN 84 HD22 ASN 84 22.060 -15.116 5.673 613 H GLY 85 H GLY 85 17.002 -15.360 2.961 614 HA2 GLY 85 HA3 GLY 85 15.294 -16.414 4.236 615 HA3 GLY 85 HA2 GLY 85 16.514 -17.464 4.954 616 H GLU 86 H GLU 86 16.795 -14.023 4.558 617 HA GLU 86 HA GLU 86 16.743 -13.706 7.481 618 HB2 GLU 86 HB2 GLU 86 18.455 -11.981 7.221 619 HB3 GLU 86 HB3 GLU 86 18.998 -13.509 6.538 620 HG2 GLU 86 HG2 GLU 86 18.429 -12.684 4.297 621 HG3 GLU 86 HG3 GLU 86 17.966 -11.134 5.005 622 H PHE 87 H PHE 87 16.904 -10.827 7.373 623 HA PHE 87 HA PHE 87 14.551 -10.054 5.827 624 HB2 PHE 87 HB2 PHE 87 13.444 -9.049 7.782 625 HB3 PHE 87 HB3 PHE 87 13.612 -10.790 7.970 626 HD1 PHE 87 HD1 PHE 87 15.740 -11.564 9.313 627 HD2 PHE 87 HD2 PHE 87 14.036 -7.671 9.520 628 HE1 PHE 87 HE1 PHE 87 16.808 -11.217 11.500 629 HE2 PHE 87 HE2 PHE 87 15.106 -7.317 11.708 630 HZ PHE 87 HZ PHE 87 16.495 -9.089 12.701 631 H HIS 88 H HIS 88 14.491 -8.106 5.174 632 HA HIS 88 HA HIS 88 16.445 -6.154 6.151 633 HB2 HIS 88 HB2 HIS 88 16.128 -7.221 3.366 634 HB3 HIS 88 HB3 HIS 88 16.671 -5.582 3.620 635 HD1 HIS 88 HD1 HIS 88 19.055 -5.238 4.531 636 HD2 HIS 88 HD2 HIS 88 17.944 -9.219 4.091 637 HE1 HIS 88 HE1 HIS 88 21.175 -6.569 4.795 638 HE2 HIS 88 HE2 HIS 88 20.412 -8.978 4.810 639 H ASP 89 H ASP 89 15.338 -4.393 6.693 640 HA ASP 89 HA ASP 89 12.619 -4.046 5.983 641 HB2 ASP 89 HB2 ASP 89 12.725 -1.936 7.189 642 HB3 ASP 89 HB3 ASP 89 13.554 -3.192 8.099 643 H ARG 90 H ARG 90 11.900 -3.527 4.063 644 HA ARG 90 HA ARG 90 13.415 -1.532 2.500 645 HB2 ARG 90 HB2 ARG 90 11.531 -3.687 1.514 646 HB3 ARG 90 HB3 ARG 90 12.378 -2.527 0.499 647 HG2 ARG 90 HG2 ARG 90 13.646 -4.654 2.205 648 HG3 ARG 90 HG3 ARG 90 13.476 -4.684 0.450 649 HD2 ARG 90 HD2 ARG 90 14.886 -2.678 0.296 650 HD3 ARG 90 HD3 ARG 90 15.076 -2.687 2.049 651 HE ARG 90 HE ARG 90 15.867 -5.123 0.698 652 HH11 ARG 90 HH12 ARG 90 16.904 -1.994 1.884 653 HH12 ARG 90 HH11 ARG 90 18.569 -2.472 2.056 654 HH21 ARG 90 HH22 ARG 90 18.028 -5.762 0.922 655 HH22 ARG 90 HH21 ARG 90 19.211 -4.629 1.522 656 H ASP 91 H ASP 91 11.835 -0.384 0.907 657 HA ASP 91 HA ASP 91 9.282 0.178 2.197 658 HB2 ASP 91 HB2 ASP 91 9.631 2.601 2.000 659 HB3 ASP 91 HB3 ASP 91 10.820 1.877 3.074 660 H VAL 92 H VAL 92 7.748 1.072 0.778 661 HA VAL 92 HA VAL 92 8.535 1.189 -2.033 662 HB VAL 92 HB VAL 92 7.715 -1.096 -1.583 663 HG11 VAL 92 HG11 VAL 92 5.089 0.246 -0.982 664 HG12 VAL 92 HG12 VAL 92 5.347 -1.491 -1.146 665 HG13 VAL 92 HG13 VAL 92 6.106 -0.606 0.180 666 HG21 VAL 92 HG21 VAL 92 7.564 -0.234 -3.786 667 HG22 VAL 92 HG22 VAL 92 6.103 -1.162 -3.446 668 HG23 VAL 92 HG23 VAL 92 6.057 0.600 -3.409 669 H ASN 93 H ASN 93 7.322 2.482 -3.292 670 HA ASN 93 HA ASN 93 5.858 4.551 -1.902 671 HB2 ASN 93 HB2 ASN 93 6.857 4.171 -4.702 672 HB3 ASN 93 HB3 ASN 93 5.667 5.414 -4.361 673 HD21 ASN 93 HD21 ASN 93 8.932 4.378 -3.925 674 HD22 ASN 93 HD22 ASN 93 9.538 5.857 -3.259 675 H LEU 94 H LEU 94 3.794 4.233 -1.407 676 HA LEU 94 HA LEU 94 2.154 2.405 -2.916 677 HB2 LEU 94 HB2 LEU 94 1.493 4.205 -0.585 678 HB3 LEU 94 HB3 LEU 94 0.367 3.070 -1.305 679 HG LEU 94 HG LEU 94 2.662 2.589 0.508 680 HD11 LEU 94 HD11 LEU 94 -0.010 1.260 0.110 681 HD12 LEU 94 HD12 LEU 94 1.138 0.908 1.403 682 HD13 LEU 94 HD13 LEU 94 0.375 2.496 1.308 683 HD21 LEU 94 HD21 LEU 94 1.788 0.551 -1.542 684 HD22 LEU 94 HD22 LEU 94 3.357 1.357 -1.495 685 HD23 LEU 94 HD23 LEU 94 2.888 0.263 -0.193 686 H ASN 95 H ASN 95 3.103 5.419 -3.583 687 HA ASN 95 HA ASN 95 0.762 6.817 -4.271 688 HB2 ASN 95 HB2 ASN 95 3.406 6.988 -5.731 689 HB3 ASN 95 HB3 ASN 95 2.141 8.210 -5.689 690 HD21 ASN 95 HD21 ASN 95 4.825 6.845 -4.114 691 HD22 ASN 95 HD22 ASN 95 4.900 7.922 -2.781 692 H ARG 96 H ARG 96 2.245 4.083 -5.663 693 HA ARG 96 HA ARG 96 1.440 4.345 -8.343 694 HB2 ARG 96 HB2 ARG 96 2.091 1.993 -6.602 695 HB3 ARG 96 HB3 ARG 96 1.488 1.752 -8.233 696 HG2 ARG 96 HG2 ARG 96 3.924 1.634 -8.125 697 HG3 ARG 96 HG3 ARG 96 3.376 2.961 -9.147 698 HD2 ARG 96 HD2 ARG 96 3.904 3.561 -6.287 699 HD3 ARG 96 HD3 ARG 96 5.293 3.246 -7.325 700 HE ARG 96 HE ARG 96 3.335 5.236 -8.188 701 HH11 ARG 96 HH12 ARG 96 6.543 4.499 -6.962 702 HH12 ARG 96 HH11 ARG 96 7.157 6.103 -7.267 703 HH21 ARG 96 HH22 ARG 96 4.131 7.331 -8.570 704 HH22 ARG 96 HH21 ARG 96 5.796 7.699 -8.209 705 H ILE 97 H ILE 97 -0.215 3.462 -5.443 706 HA ILE 97 HA ILE 97 -2.504 2.261 -6.702 707 HB ILE 97 HB ILE 97 -2.198 3.314 -3.882 708 HG12 ILE 97 HG13 ILE 97 -1.974 0.419 -4.593 709 HG13 ILE 97 3HG1 ILE 97 -0.583 1.461 -4.872 710 HG21 ILE 97 HG21 ILE 97 -4.010 1.749 -3.352 711 HG22 ILE 97 HG22 ILE 97 -4.520 2.951 -4.537 712 HG23 ILE 97 HG23 ILE 97 -4.128 1.311 -5.057 713 HD11 ILE 97 HD11 ILE 97 -0.500 0.315 -2.709 714 HD12 ILE 97 HD12 ILE 97 -0.524 2.073 -2.550 715 HD13 ILE 97 HD13 ILE 97 -1.988 1.138 -2.235 716 H GLN 98 H GLN 98 -4.274 3.256 -7.422 717 HA GLN 98 HA GLN 98 -4.682 6.061 -6.684 718 HB2 GLN 98 HB2 GLN 98 -5.738 6.174 -9.062 719 HB3 GLN 98 HB3 GLN 98 -4.007 6.359 -8.852 720 HG2 GLN 98 HG2 GLN 98 -3.658 4.062 -9.533 721 HG3 GLN 98 HG3 GLN 98 -5.402 3.820 -9.664 722 HE21 GLN 98 HE21 GLN 98 -3.211 3.646 -11.670 723 HE22 GLN 98 HE22 GLN 98 -3.698 4.711 -12.948 724 H ASN 99 H ASN 99 -6.925 6.784 -7.155 725 HA ASN 99 HA ASN 99 -8.800 4.686 -6.330 726 HB2 ASN 99 HB2 ASN 99 -8.711 6.288 -4.617 727 HB3 ASN 99 HB3 ASN 99 -8.648 7.632 -5.751 728 HD21 ASN 99 HD21 ASN 99 -10.515 8.475 -6.547 729 HD22 ASN 99 HD22 ASN 99 -12.082 8.014 -5.981 730 H VAL 100 H VAL 100 -10.312 4.102 -7.703 731 HA VAL 100 HA VAL 100 -10.998 5.929 -9.905 732 HB VAL 100 HB VAL 100 -11.222 2.915 -9.896 733 HG11 VAL 100 HG11 VAL 100 -11.590 4.917 -12.120 734 HG12 VAL 100 HG12 VAL 100 -11.649 3.162 -12.292 735 HG13 VAL 100 HG13 VAL 100 -12.866 3.995 -11.326 736 HG21 VAL 100 HG21 VAL 100 -8.891 3.640 -9.880 737 HG22 VAL 100 HG22 VAL 100 -9.331 2.925 -11.431 738 HG23 VAL 100 HG23 VAL 100 -9.201 4.677 -11.271 739 H ASN 101 H ASN 101 -12.680 6.987 -8.970 740 HA ASN 101 HA ASN 101 -14.784 7.417 -8.283 741 HB2 ASN 101 HB2 ASN 101 -15.174 6.010 -10.415 742 HB3 ASN 101 HB3 ASN 101 -15.635 4.727 -9.293 743 HD21 ASN 101 HD21 ASN 101 -17.783 4.746 -10.017 744 HD22 ASN 101 HD22 ASN 101 -18.871 6.038 -9.621 745 H GLY 102 H GLY 102 -12.970 5.888 -6.497 746 HA2 GLY 102 HA3 GLY 102 -13.576 5.689 -4.150 747 HA3 GLY 102 HA2 GLY 102 -15.093 4.972 -4.660 748 H ARG 103 H ARG 103 -12.212 3.915 -6.268 749 HA ARG 103 HA ARG 103 -12.108 1.559 -4.523 750 HB2 ARG 103 HB2 ARG 103 -12.107 0.046 -6.319 751 HB3 ARG 103 HB3 ARG 103 -13.411 1.175 -6.663 752 HG2 ARG 103 HG2 ARG 103 -11.750 2.414 -8.125 753 HG3 ARG 103 HG3 ARG 103 -10.719 0.986 -7.965 754 HD2 ARG 103 HD2 ARG 103 -12.047 0.838 -9.987 755 HD3 ARG 103 HD3 ARG 103 -12.544 -0.405 -8.836 756 HE ARG 103 HE ARG 103 -14.025 2.126 -9.002 757 HH11 ARG 103 HH12 ARG 103 -13.921 -1.362 -9.203 758 HH12 ARG 103 HH11 ARG 103 -15.632 -1.531 -9.437 759 HH21 ARG 103 HH22 ARG 103 -16.286 1.913 -9.322 760 HH22 ARG 103 HH21 ARG 103 -16.979 0.332 -9.529 761 H LEU 104 H LEU 104 -10.100 0.743 -4.109 762 HA LEU 104 HA LEU 104 -7.846 2.385 -4.966 763 HB2 LEU 104 HB2 LEU 104 -8.477 0.644 -2.712 764 HB3 LEU 104 HB3 LEU 104 -6.861 0.377 -3.335 765 HG LEU 104 HG LEU 104 -6.205 2.611 -2.868 766 HD11 LEU 104 HD11 LEU 104 -8.197 3.775 -3.622 767 HD12 LEU 104 HD12 LEU 104 -9.093 3.185 -2.222 768 HD13 LEU 104 HD13 LEU 104 -7.748 4.304 -2.000 769 HD21 LEU 104 HD21 LEU 104 -6.651 2.792 -0.450 770 HD22 LEU 104 HD22 LEU 104 -7.887 1.541 -0.604 771 HD23 LEU 104 HD23 LEU 104 -6.197 1.159 -0.937 772 H VAL 105 H VAL 105 -6.513 1.836 -6.565 773 HA VAL 105 HA VAL 105 -6.147 -1.015 -7.176 774 HB VAL 105 HB VAL 105 -7.830 -0.252 -8.761 775 HG11 VAL 105 HG11 VAL 105 -7.398 2.121 -8.773 776 HG12 VAL 105 HG12 VAL 105 -5.836 1.864 -9.550 777 HG13 VAL 105 HG13 VAL 105 -7.324 1.496 -10.420 778 HG21 VAL 105 HG21 VAL 105 -5.133 -0.596 -10.067 779 HG22 VAL 105 HG22 VAL 105 -6.205 -1.889 -9.534 780 HG23 VAL 105 HG23 VAL 105 -6.695 -0.826 -10.852 781 H PHE 106 H PHE 106 -4.076 -1.554 -7.501 782 HA PHE 106 HA PHE 106 -2.065 0.502 -7.244 783 HB2 PHE 106 HB2 PHE 106 -0.562 -1.196 -6.778 784 HB3 PHE 106 HB3 PHE 106 -2.070 -1.947 -6.272 785 HD1 PHE 106 HD1 PHE 106 -3.262 -3.428 -8.035 786 HD2 PHE 106 HD2 PHE 106 0.826 -2.277 -8.274 787 HE1 PHE 106 HE1 PHE 106 -2.827 -5.301 -9.567 788 HE2 PHE 106 HE2 PHE 106 1.269 -4.149 -9.804 789 HZ PHE 106 HZ PHE 106 -0.560 -5.663 -10.455 790 H GLN 107 H GLN 107 -0.513 1.085 -8.750 791 HA GLN 107 HA GLN 107 0.304 1.633 -10.790 792 HB2 GLN 107 HB2 GLN 107 0.957 -0.780 -10.682 793 HB3 GLN 107 HB3 GLN 107 -0.499 -1.170 -11.584 794 HG2 GLN 107 HG2 GLN 107 0.307 0.222 -13.446 795 HG3 GLN 107 HG3 GLN 107 1.791 0.529 -12.544 796 HE21 GLN 107 HE21 GLN 107 -0.066 -1.806 -14.310 797 HE22 GLN 107 HE22 GLN 107 1.198 -2.980 -14.482 Start of MODEL 14 1 H MET 1 H MET 1 -4.128 12.119 -8.619 2 HA MET 1 HA MET 1 -1.228 12.028 -9.188 3 HB2 MET 1 HB2 MET 1 -1.621 13.873 -7.690 4 HB3 MET 1 HB3 MET 1 -2.713 12.910 -6.707 5 HG2 MET 1 HG2 MET 1 -0.537 13.238 -5.644 6 HG3 MET 1 HG3 MET 1 -0.887 11.537 -5.941 7 HE1 MET 1 HE1 MET 1 3.012 11.748 -6.334 8 HE2 MET 1 HE2 MET 1 1.997 12.632 -5.196 9 HE3 MET 1 HE3 MET 1 1.678 10.927 -5.523 10 H SER 2 H SER 2 -3.136 11.038 -6.392 11 HA SER 2 HA SER 2 -2.979 8.236 -7.096 12 HB2 SER 2 HB2 SER 2 -1.609 9.253 -4.588 13 HB3 SER 2 HB3 SER 2 -1.702 7.579 -5.136 14 HG SER 2 HG SER 2 -0.252 7.973 -6.676 15 H TYR 3 H TYR 3 -3.759 7.004 -4.889 16 HA TYR 3 HA TYR 3 -6.386 7.936 -4.442 17 HB2 TYR 3 HB2 TYR 3 -6.662 6.083 -3.006 18 HB3 TYR 3 HB3 TYR 3 -5.474 5.541 -4.185 19 HD1 TYR 3 HD1 TYR 3 -2.974 5.770 -3.480 20 HD2 TYR 3 HD2 TYR 3 -6.230 5.856 -0.747 21 HE1 TYR 3 HE1 TYR 3 -1.442 5.196 -1.648 22 HE2 TYR 3 HE2 TYR 3 -4.714 5.284 1.098 23 HH TYR 3 HH TYR 3 -1.348 5.440 0.814 24 H ALA 4 H ALA 4 -3.372 8.333 -2.751 25 HA ALA 4 HA ALA 4 -4.209 9.323 -0.299 26 HB1 ALA 4 HB1 ALA 4 -1.986 10.220 -0.066 27 HB2 ALA 4 HB2 ALA 4 -1.915 8.637 -0.839 28 HB3 ALA 4 HB3 ALA 4 -1.724 10.099 -1.806 29 H ASP 5 H ASP 5 -4.221 10.885 -3.384 30 HA ASP 5 HA ASP 5 -4.095 13.569 -2.607 31 HB2 ASP 5 HB2 ASP 5 -3.927 12.908 -4.942 32 HB3 ASP 5 HB3 ASP 5 -5.580 12.300 -4.918 33 H SER 6 H SER 6 -6.612 11.243 -2.243 34 HA SER 6 HA SER 6 -8.215 13.214 -0.828 35 HB2 SER 6 HB2 SER 6 -9.350 11.536 -3.080 36 HB3 SER 6 HB3 SER 6 -10.282 12.579 -2.008 37 HG SER 6 HG SER 6 -8.279 14.003 -3.050 38 H SER 7 H SER 7 -6.644 11.045 0.106 39 HA SER 7 HA SER 7 -8.728 9.171 1.012 40 HB2 SER 7 HB2 SER 7 -7.027 7.478 1.267 41 HB3 SER 7 HB3 SER 7 -6.914 8.140 -0.364 42 HG SER 7 HG SER 7 -5.378 9.416 1.553 43 H ARG 8 H ARG 8 -8.647 8.464 3.174 44 HA ARG 8 HA ARG 8 -6.854 9.789 5.031 45 HB2 ARG 8 HB2 ARG 8 -8.403 11.052 6.165 46 HB3 ARG 8 HB3 ARG 8 -9.106 11.142 4.556 47 HG2 ARG 8 HG2 ARG 8 -10.247 8.866 5.573 48 HG3 ARG 8 HG3 ARG 8 -10.139 9.919 6.987 49 HD2 ARG 8 HD2 ARG 8 -12.206 10.455 6.071 50 HD3 ARG 8 HD3 ARG 8 -11.146 11.720 5.449 51 HE ARG 8 HE ARG 8 -11.070 10.487 3.351 52 HH11 ARG 8 HH12 ARG 8 -13.560 9.606 5.629 53 HH12 ARG 8 HH11 ARG 8 -14.601 8.908 4.421 54 HH21 ARG 8 HH22 ARG 8 -12.432 9.604 1.748 55 HH22 ARG 8 HH21 ARG 8 -13.967 8.940 2.206 56 H ASN 9 H ASN 9 -7.379 8.934 7.308 57 HA ASN 9 HA ASN 9 -7.395 7.129 8.699 58 HB2 ASN 9 HB2 ASN 9 -9.908 7.452 7.866 59 HB3 ASN 9 HB3 ASN 9 -9.616 5.867 7.164 60 HD21 ASN 9 HD21 ASN 9 -11.494 6.444 9.183 61 HD22 ASN 9 HD22 ASN 9 -11.033 5.566 10.605 62 H ALA 10 H ALA 10 -5.764 6.937 6.291 63 HA ALA 10 HA ALA 10 -5.965 4.271 5.284 64 HB1 ALA 10 HB1 ALA 10 -5.024 6.192 4.000 65 HB2 ALA 10 HB2 ALA 10 -3.623 6.161 5.068 66 HB3 ALA 10 HB3 ALA 10 -3.978 4.775 4.035 67 H VAL 11 H VAL 11 -5.480 2.554 6.451 68 HA VAL 11 HA VAL 11 -3.050 2.535 8.087 69 HB VAL 11 HB VAL 11 -5.704 1.549 9.174 70 HG11 VAL 11 HG11 VAL 11 -3.797 0.320 10.026 71 HG12 VAL 11 HG12 VAL 11 -2.998 1.828 10.473 72 HG13 VAL 11 HG13 VAL 11 -4.480 1.340 11.294 73 HG21 VAL 11 HG21 VAL 11 -4.191 4.049 9.927 74 HG22 VAL 11 HG22 VAL 11 -5.741 3.983 9.088 75 HG23 VAL 11 HG23 VAL 11 -5.616 3.422 10.756 76 H LEU 12 H LEU 12 -2.181 0.428 8.372 77 HA LEU 12 HA LEU 12 -3.046 -1.465 6.358 78 HB2 LEU 12 HB2 LEU 12 -0.578 -0.873 7.656 79 HB3 LEU 12 HB3 LEU 12 -0.988 -2.532 8.034 80 HG LEU 12 HG LEU 12 -1.012 -3.158 5.743 81 HD11 LEU 12 HD11 LEU 12 -0.768 -0.218 5.126 82 HD12 LEU 12 HD12 LEU 12 -0.641 -1.517 3.938 83 HD13 LEU 12 HD13 LEU 12 -2.156 -1.257 4.800 84 HD21 LEU 12 HD21 LEU 12 1.199 -3.026 6.698 85 HD22 LEU 12 HD22 LEU 12 1.258 -2.512 5.012 86 HD23 LEU 12 HD23 LEU 12 1.304 -1.312 6.302 87 H THR 13 H THR 13 -3.808 -3.520 6.753 88 HA THR 13 HA THR 13 -4.534 -4.171 9.522 89 HB THR 13 HB THR 13 -6.342 -4.614 7.133 90 HG1 THR 13 HG1 THR 13 -5.812 -2.310 8.334 91 HG21 THR 13 HG21 THR 13 -8.067 -4.979 8.827 92 HG22 THR 13 HG22 THR 13 -6.887 -4.685 10.105 93 HG23 THR 13 HG23 THR 13 -6.719 -6.094 9.060 94 H ASN 14 H ASN 14 -4.967 -6.478 9.828 95 HA ASN 14 HA ASN 14 -4.640 -8.715 9.531 96 HB2 ASN 14 HB2 ASN 14 -5.257 -7.917 7.023 97 HB3 ASN 14 HB3 ASN 14 -3.619 -8.505 6.768 98 HD21 ASN 14 HD21 ASN 14 -3.849 -10.520 8.904 99 HD22 ASN 14 HD22 ASN 14 -4.835 -11.787 8.249 100 H GLY 15 H GLY 15 -2.436 -6.480 9.755 101 HA2 GLY 15 HA3 GLY 15 -0.285 -6.815 10.668 102 HA3 GLY 15 HA2 GLY 15 -0.267 -8.428 9.968 103 H GLY 16 H GLY 16 -1.278 -5.755 8.055 104 HA2 GLY 16 HA3 GLY 16 0.019 -4.422 6.584 105 HA3 GLY 16 HA2 GLY 16 1.374 -5.517 6.828 106 H ARG 17 H ARG 17 -1.746 -6.857 6.259 107 HA ARG 17 HA ARG 17 -0.828 -7.738 3.618 108 HB2 ARG 17 HB2 ARG 17 -3.131 -8.968 5.106 109 HB3 ARG 17 HB3 ARG 17 -2.124 -9.679 3.853 110 HG2 ARG 17 HG2 ARG 17 -0.218 -9.544 5.550 111 HG3 ARG 17 HG3 ARG 17 -1.470 -9.218 6.737 112 HD2 ARG 17 HD2 ARG 17 -0.832 -11.609 6.607 113 HD3 ARG 17 HD3 ARG 17 -2.541 -11.308 6.309 114 HE ARG 17 HE ARG 17 -0.945 -11.445 3.907 115 HH11 ARG 17 HH12 ARG 17 -2.627 -13.359 6.310 116 HH12 ARG 17 HH11 ARG 17 -3.058 -14.624 5.197 117 HH21 ARG 17 HH22 ARG 17 -1.530 -13.106 2.422 118 HH22 ARG 17 HH21 ARG 17 -2.387 -14.506 3.006 119 H THR 18 H THR 18 -3.141 -5.799 5.224 120 HA THR 18 HA THR 18 -4.599 -5.471 2.690 121 HB THR 18 HB THR 18 -5.860 -5.427 5.436 122 HG1 THR 18 HG1 THR 18 -6.175 -7.380 3.361 123 HG21 THR 18 HG21 THR 18 -6.963 -3.938 3.841 124 HG22 THR 18 HG22 THR 18 -7.979 -5.336 4.203 125 HG23 THR 18 HG23 THR 18 -7.091 -5.263 2.681 126 H LEU 19 H LEU 19 -4.615 -3.466 1.992 127 HA LEU 19 HA LEU 19 -3.894 -1.263 3.765 128 HB2 LEU 19 HB2 LEU 19 -2.652 -1.452 1.699 129 HB3 LEU 19 HB3 LEU 19 -4.133 -1.503 0.765 130 HG LEU 19 HG LEU 19 -4.608 0.832 1.466 131 HD11 LEU 19 HD11 LEU 19 -3.345 0.894 3.537 132 HD12 LEU 19 HD12 LEU 19 -1.839 0.673 2.647 133 HD13 LEU 19 HD13 LEU 19 -2.777 2.151 2.438 134 HD21 LEU 19 HD21 LEU 19 -3.560 0.353 -0.670 135 HD22 LEU 19 HD22 LEU 19 -2.917 1.847 0.014 136 HD23 LEU 19 HD23 LEU 19 -1.970 0.361 0.092 137 H ARG 20 H ARG 20 -5.593 -0.378 4.776 138 HA ARG 20 HA ARG 20 -8.128 -0.107 3.297 139 HB2 ARG 20 HB2 ARG 20 -7.947 -1.393 5.542 140 HB3 ARG 20 HB3 ARG 20 -7.787 0.192 6.277 141 HG2 ARG 20 HG2 ARG 20 -10.132 -0.651 4.590 142 HG3 ARG 20 HG3 ARG 20 -10.081 -0.775 6.345 143 HD2 ARG 20 HD2 ARG 20 -10.023 1.714 4.656 144 HD3 ARG 20 HD3 ARG 20 -11.253 1.220 5.816 145 HE ARG 20 HE ARG 20 -8.683 2.448 6.391 146 HH11 ARG 20 HH12 ARG 20 -11.524 0.834 7.674 147 HH12 ARG 20 HH11 ARG 20 -11.283 1.445 9.286 148 HH21 ARG 20 HH22 ARG 20 -8.395 3.258 8.500 149 HH22 ARG 20 HH21 ARG 20 -9.525 2.820 9.752 150 H ALA 21 H ALA 21 -8.690 1.870 2.652 151 HA ALA 21 HA ALA 21 -7.931 4.208 4.230 152 HB1 ALA 21 HB1 ALA 21 -7.025 5.392 2.287 153 HB2 ALA 21 HB2 ALA 21 -6.077 3.952 2.660 154 HB3 ALA 21 HB3 ALA 21 -7.211 3.936 1.309 155 H GLU 22 H GLU 22 -9.244 6.019 3.836 156 HA GLU 22 HA GLU 22 -11.717 5.378 2.385 157 HB2 GLU 22 HB2 GLU 22 -11.355 7.630 4.348 158 HB3 GLU 22 HB3 GLU 22 -12.856 6.891 3.805 159 HG2 GLU 22 HG2 GLU 22 -11.928 4.758 4.925 160 HG3 GLU 22 HG3 GLU 22 -10.840 5.877 5.751 161 H CYS 23 H CYS 23 -11.784 6.213 0.386 162 HA CYS 23 HA CYS 23 -10.620 8.891 -0.023 163 HB2 CYS 23 HB2 CYS 23 -10.174 8.058 -2.394 164 HB3 CYS 23 HB3 CYS 23 -9.139 7.426 -1.118 165 HG CYS 23 HG CYS 23 -10.856 5.778 -3.303 166 H ARG 24 H ARG 24 -11.668 10.273 -1.434 167 HA ARG 24 HA ARG 24 -14.505 9.842 -1.689 168 HB2 ARG 24 HB2 ARG 24 -14.522 12.072 -1.536 169 HB3 ARG 24 HB3 ARG 24 -12.767 12.093 -1.572 170 HG2 ARG 24 HG2 ARG 24 -14.354 11.978 -4.107 171 HG3 ARG 24 HG3 ARG 24 -14.071 13.508 -3.275 172 HD2 ARG 24 HD2 ARG 24 -11.893 13.564 -3.852 173 HD3 ARG 24 HD3 ARG 24 -11.692 11.822 -3.661 174 HE ARG 24 HE ARG 24 -13.229 12.085 -5.903 175 HH11 ARG 24 HH12 ARG 24 -10.101 13.310 -4.871 176 HH12 ARG 24 HH11 ARG 24 -9.443 13.353 -6.484 177 HH21 ARG 24 HH22 ARG 24 -12.346 12.165 -8.036 178 HH22 ARG 24 HH21 ARG 24 -10.714 12.700 -8.264 179 H ASN 25 H ASN 25 -15.675 9.628 -3.602 180 HA ASN 25 HA ASN 25 -14.167 8.413 -5.756 181 HB2 ASN 25 HB2 ASN 25 -16.210 7.539 -6.555 182 HB3 ASN 25 HB3 ASN 25 -16.290 7.452 -4.809 183 HD21 ASN 25 HD21 ASN 25 -17.803 8.588 -3.709 184 HD22 ASN 25 HD22 ASN 25 -19.094 9.433 -4.497 185 H ALA 26 H ALA 26 -15.492 8.911 -8.031 186 HA ALA 26 HA ALA 26 -14.427 11.324 -8.921 187 HB1 ALA 26 HB1 ALA 26 -15.720 10.957 -10.956 188 HB2 ALA 26 HB2 ALA 26 -14.964 9.465 -10.397 189 HB3 ALA 26 HB3 ALA 26 -16.686 9.735 -10.127 190 H ASP 27 H ASP 27 -17.644 10.598 -7.692 191 HA ASP 27 HA ASP 27 -18.790 13.114 -8.457 192 HB2 ASP 27 HB2 ASP 27 -20.020 10.923 -7.986 193 HB3 ASP 27 HB3 ASP 27 -19.804 11.293 -6.283 194 H GLY 28 H GLY 28 -16.903 11.995 -5.794 195 HA2 GLY 28 HA3 GLY 28 -15.766 13.668 -4.462 196 HA3 GLY 28 HA2 GLY 28 -17.227 14.639 -4.529 197 H ASN 29 H ASN 29 -18.151 11.478 -4.059 198 HA ASN 29 HA ASN 29 -18.715 12.030 -1.259 199 HB2 ASN 29 HB2 ASN 29 -20.310 10.900 -2.999 200 HB3 ASN 29 HB3 ASN 29 -19.388 9.454 -2.625 201 HD21 ASN 29 HD21 ASN 29 -19.695 8.404 -0.734 202 HD22 ASN 29 HD22 ASN 29 -20.889 8.858 0.430 203 H TRP 30 H TRP 30 -18.021 10.799 0.446 204 HA TRP 30 HA TRP 30 -15.395 9.701 0.186 205 HB2 TRP 30 HB2 TRP 30 -17.301 10.012 2.496 206 HB3 TRP 30 HB3 TRP 30 -15.736 9.220 2.668 207 HD1 TRP 30 HD1 TRP 30 -14.805 11.660 0.320 208 HE1 TRP 30 HE1 TRP 30 -13.942 13.834 1.391 209 HE3 TRP 30 HE3 TRP 30 -16.668 11.018 5.039 210 HZ2 TRP 30 HZ2 TRP 30 -14.047 15.104 3.907 211 HZ3 TRP 30 HZ3 TRP 30 -16.238 12.761 6.719 212 HH2 TRP 30 HH2 TRP 30 -14.954 14.762 6.163 213 H VAL 31 H VAL 31 -14.804 7.679 -0.152 214 HA VAL 31 HA VAL 31 -16.742 5.511 0.351 215 HB VAL 31 HB VAL 31 -14.708 5.389 -1.860 216 HG11 VAL 31 HG11 VAL 31 -15.727 3.302 -1.164 217 HG12 VAL 31 HG12 VAL 31 -17.333 3.980 -1.427 218 HG13 VAL 31 HG13 VAL 31 -16.242 3.734 -2.793 219 HG21 VAL 31 HG21 VAL 31 -17.500 6.494 -2.096 220 HG22 VAL 31 HG22 VAL 31 -15.989 7.372 -2.344 221 HG23 VAL 31 HG23 VAL 31 -16.451 6.079 -3.452 222 H THR 32 H THR 32 -15.957 3.915 1.623 223 HA THR 32 HA THR 32 -13.153 3.994 2.390 224 HB THR 32 HB THR 32 -15.284 2.052 3.317 225 HG1 THR 32 HG1 THR 32 -14.516 4.357 4.776 226 HG21 THR 32 HG21 THR 32 -13.859 1.827 5.295 227 HG22 THR 32 HG22 THR 32 -12.705 2.969 4.605 228 HG23 THR 32 HG23 THR 32 -12.969 1.405 3.831 229 H SER 33 H SER 33 -11.707 2.953 1.133 230 HA SER 33 HA SER 33 -12.611 0.532 -0.280 231 HB2 SER 33 HB2 SER 33 -11.828 2.618 -1.599 232 HB3 SER 33 HB3 SER 33 -10.208 2.152 -1.082 233 HG SER 33 HG SER 33 -12.040 0.534 -2.537 234 H GLU 34 H GLU 34 -11.174 -1.226 -0.427 235 HA GLU 34 HA GLU 34 -8.886 -1.227 1.394 236 HB2 GLU 34 HB2 GLU 34 -10.710 -3.602 1.381 237 HB3 GLU 34 HB3 GLU 34 -9.584 -3.074 2.623 238 HG2 GLU 34 HG2 GLU 34 -11.128 -1.149 3.060 239 HG3 GLU 34 HG3 GLU 34 -12.280 -1.922 1.978 240 H LEU 35 H LEU 35 -7.174 -2.252 0.550 241 HA LEU 35 HA LEU 35 -7.621 -4.217 -1.590 242 HB2 LEU 35 HB2 LEU 35 -7.006 -2.347 -2.866 243 HB3 LEU 35 HB3 LEU 35 -5.839 -1.805 -1.678 244 HG LEU 35 HG LEU 35 -4.326 -3.625 -2.287 245 HD11 LEU 35 HD11 LEU 35 -4.767 -5.096 -4.164 246 HD12 LEU 35 HD12 LEU 35 -6.000 -5.301 -2.923 247 HD13 LEU 35 HD13 LEU 35 -6.365 -4.376 -4.379 248 HD21 LEU 35 HD21 LEU 35 -3.763 -2.871 -4.547 249 HD22 LEU 35 HD22 LEU 35 -5.322 -2.054 -4.654 250 HD23 LEU 35 HD23 LEU 35 -4.130 -1.523 -3.468 251 H ASP 36 H ASP 36 -6.659 -6.038 -1.203 252 HA ASP 36 HA ASP 36 -4.953 -6.362 1.046 253 HB2 ASP 36 HB2 ASP 36 -5.802 -8.218 -1.178 254 HB3 ASP 36 HB3 ASP 36 -4.802 -8.714 0.170 255 H LEU 37 H LEU 37 -2.971 -5.623 0.989 256 HA LEU 37 HA LEU 37 -1.415 -5.076 -1.269 257 HB2 LEU 37 HB2 LEU 37 -0.534 -5.737 1.537 258 HB3 LEU 37 HB3 LEU 37 0.457 -4.960 0.305 259 HG LEU 37 HG LEU 37 -2.113 -3.783 1.238 260 HD11 LEU 37 HD11 LEU 37 -0.586 -4.278 3.104 261 HD12 LEU 37 HD12 LEU 37 0.600 -3.218 2.345 262 HD13 LEU 37 HD13 LEU 37 -0.948 -2.564 2.887 263 HD21 LEU 37 HD21 LEU 37 -1.124 -1.720 0.413 264 HD22 LEU 37 HD22 LEU 37 0.339 -2.598 -0.036 265 HD23 LEU 37 HD23 LEU 37 -1.184 -2.945 -0.856 266 H ASP 38 H ASP 38 -1.457 -7.802 0.957 267 HA ASP 38 HA ASP 38 0.648 -9.219 -0.262 268 HB2 ASP 38 HB2 ASP 38 0.168 -10.981 1.169 269 HB3 ASP 38 HB3 ASP 38 -0.456 -9.598 2.058 270 H THR 39 H THR 39 -2.307 -8.442 -1.556 271 HA THR 39 HA THR 39 -2.418 -10.970 -3.053 272 HB THR 39 HB THR 39 -4.473 -9.661 -1.889 273 HG1 THR 39 HG1 THR 39 -4.431 -11.794 -2.806 274 HG21 THR 39 HG21 THR 39 -5.865 -8.682 -3.659 275 HG22 THR 39 HG22 THR 39 -4.522 -8.846 -4.794 276 HG23 THR 39 HG23 THR 39 -4.379 -7.765 -3.407 277 H ILE 40 H ILE 40 -1.206 -7.861 -3.314 278 HA ILE 40 HA ILE 40 -0.811 -8.227 -6.190 279 HB ILE 40 HB ILE 40 -1.262 -5.767 -6.563 280 HG12 ILE 40 HG13 ILE 40 -3.154 -5.027 -4.839 281 HG13 ILE 40 3HG1 ILE 40 -2.221 -6.057 -3.762 282 HG21 ILE 40 HG21 ILE 40 -3.601 -7.512 -5.813 283 HG22 ILE 40 HG22 ILE 40 -3.672 -6.075 -6.834 284 HG23 ILE 40 HG23 ILE 40 -2.770 -7.494 -7.369 285 HD11 ILE 40 HD11 ILE 40 -1.175 -3.682 -5.276 286 HD12 ILE 40 HD12 ILE 40 -1.562 -3.739 -3.558 287 HD13 ILE 40 HD13 ILE 40 -0.240 -4.713 -4.195 288 H ILE 41 H ILE 41 0.657 -8.003 -3.433 289 HA ILE 41 HA ILE 41 2.873 -6.352 -4.470 290 HB ILE 41 HB ILE 41 1.898 -6.555 -1.623 291 HG12 ILE 41 HG13 ILE 41 1.750 -4.474 -3.746 292 HG13 ILE 41 3HG1 ILE 41 0.572 -4.921 -2.518 293 HG21 ILE 41 HG21 ILE 41 4.331 -5.112 -2.643 294 HG22 ILE 41 HG22 ILE 41 3.698 -5.062 -0.994 295 HG23 ILE 41 HG23 ILE 41 4.329 -6.574 -1.654 296 HD11 ILE 41 HD11 ILE 41 3.087 -3.351 -2.045 297 HD12 ILE 41 HD12 ILE 41 1.453 -2.689 -2.142 298 HD13 ILE 41 HD13 ILE 41 1.887 -3.781 -0.825 299 H GLY 42 H GLY 42 4.831 -7.354 -4.470 300 HA2 GLY 42 HA3 GLY 42 5.007 -9.909 -2.995 301 HA3 GLY 42 HA2 GLY 42 5.548 -9.775 -4.660 302 H ASN 43 H ASN 43 7.123 -10.644 -2.498 303 HA ASN 43 HA ASN 43 9.055 -8.440 -2.219 304 HB2 ASN 43 HB2 ASN 43 8.420 -9.156 -0.038 305 HB3 ASN 43 HB3 ASN 43 8.496 -10.852 -0.489 306 HD21 ASN 43 HD21 ASN 43 9.828 -11.241 1.286 307 HD22 ASN 43 HD22 ASN 43 11.519 -10.833 1.253 308 H ASN 44 H ASN 44 10.466 -8.582 -3.819 309 HA ASN 44 HA ASN 44 11.320 -11.214 -4.766 310 HB2 ASN 44 HB2 ASN 44 10.610 -9.377 -6.373 311 HB3 ASN 44 HB3 ASN 44 12.080 -8.522 -5.917 312 HD21 ASN 44 HD21 ASN 44 11.288 -9.545 -8.516 313 HD22 ASN 44 HD22 ASN 44 12.520 -10.661 -9.002 314 H ASP 45 H ASP 45 12.513 -11.670 -2.840 315 HA ASP 45 HA ASP 45 14.390 -11.823 -1.558 316 HB2 ASP 45 HB2 ASP 45 15.203 -12.513 -3.834 317 HB3 ASP 45 HB3 ASP 45 15.772 -10.866 -4.076 318 H GLY 46 H GLY 46 13.181 -9.639 -0.741 319 HA2 GLY 46 HA3 GLY 46 13.725 -7.791 0.540 320 HA3 GLY 46 HA2 GLY 46 15.374 -7.899 -0.054 321 H HIS 47 H HIS 47 12.428 -7.655 -2.002 322 HA HIS 47 HA HIS 47 12.861 -4.844 -2.532 323 HB2 HIS 47 HB2 HIS 47 14.475 -6.201 -4.013 324 HB3 HIS 47 HB3 HIS 47 13.040 -6.722 -4.883 325 HD1 HIS 47 HD1 HIS 47 15.571 -4.215 -4.934 326 HD2 HIS 47 HD2 HIS 47 11.525 -4.326 -5.885 327 HE1 HIS 47 HE1 HIS 47 15.166 -2.212 -6.404 328 HE2 HIS 47 HE2 HIS 47 12.679 -2.208 -6.823 329 H PHE 48 H PHE 48 10.855 -4.038 -2.527 330 HA PHE 48 HA PHE 48 8.527 -5.579 -2.785 331 HB2 PHE 48 HB2 PHE 48 8.999 -2.614 -2.919 332 HB3 PHE 48 HB3 PHE 48 7.394 -3.303 -3.149 333 HD1 PHE 48 HD2 PHE 48 6.760 -5.089 -1.257 334 HD2 PHE 48 HD1 PHE 48 9.538 -1.898 -0.826 335 HE1 PHE 48 HE2 PHE 48 6.446 -5.155 1.181 336 HE2 PHE 48 HE1 PHE 48 9.236 -1.962 1.616 337 HZ PHE 48 HZ PHE 48 7.684 -3.587 2.622 338 H GLN 49 H GLN 49 7.180 -6.039 -4.402 339 HA GLN 49 HA GLN 49 7.762 -4.950 -7.058 340 HB2 GLN 49 HB2 GLN 49 8.787 -7.039 -7.239 341 HB3 GLN 49 HB3 GLN 49 7.598 -7.821 -6.206 342 HG2 GLN 49 HG2 GLN 49 5.992 -7.876 -7.916 343 HG3 GLN 49 HG3 GLN 49 6.898 -6.746 -8.918 344 HE21 GLN 49 HE21 GLN 49 6.920 -8.144 -10.660 345 HE22 GLN 49 HE22 GLN 49 7.913 -9.570 -10.690 346 H TRP 50 H TRP 50 6.007 -3.975 -7.786 347 HA TRP 50 HA TRP 50 3.428 -4.443 -6.667 348 HB2 TRP 50 HB2 TRP 50 4.371 -2.842 -9.051 349 HB3 TRP 50 HB3 TRP 50 2.671 -2.964 -8.611 350 HD1 TRP 50 HD1 TRP 50 5.685 -0.924 -7.941 351 HE1 TRP 50 HE1 TRP 50 5.252 0.702 -5.979 352 HE3 TRP 50 HE3 TRP 50 1.356 -2.967 -6.158 353 HZ2 TRP 50 HZ2 TRP 50 3.325 1.045 -3.947 354 HZ3 TRP 50 HZ3 TRP 50 0.283 -1.934 -4.204 355 HH2 TRP 50 HH2 TRP 50 1.247 0.032 -3.120 356 H GLY 51 H GLY 51 2.248 -6.156 -7.073 357 HA2 GLY 51 HA3 GLY 51 0.892 -7.429 -8.583 358 HA3 GLY 51 HA2 GLY 51 2.098 -7.169 -9.836 359 H GLY 52 H GLY 52 2.981 -8.111 -6.587 360 HA2 GLY 52 HA3 GLY 52 4.020 -10.615 -7.710 361 HA3 GLY 52 HA2 GLY 52 4.559 -9.859 -6.220 362 H GLN 53 H GLN 53 2.376 -9.517 -4.759 363 HA GLN 53 HA GLN 53 0.845 -10.458 -3.406 364 HB2 GLN 53 HB2 GLN 53 -0.575 -11.086 -5.120 365 HB3 GLN 53 HB3 GLN 53 0.558 -12.259 -5.779 366 HG2 GLN 53 HG2 GLN 53 0.085 -13.782 -3.973 367 HG3 GLN 53 HG3 GLN 53 -0.926 -12.574 -3.180 368 HE21 GLN 53 HE21 GLN 53 -2.722 -13.918 -3.212 369 HE22 GLN 53 HE22 GLN 53 -3.601 -14.246 -4.667 370 H ASN 54 H ASN 54 0.859 -11.786 -1.668 371 HA ASN 54 HA ASN 54 1.544 -13.309 -0.137 372 HB2 ASN 54 HB2 ASN 54 2.921 -14.524 -2.519 373 HB3 ASN 54 HB3 ASN 54 3.200 -15.138 -0.895 374 HD21 ASN 54 HD21 ASN 54 1.924 -16.284 -3.314 375 HD22 ASN 54 HD22 ASN 54 0.375 -16.851 -2.771 376 H PHE 55 H PHE 55 2.860 -10.773 -0.669 377 HA PHE 55 HA PHE 55 5.670 -11.201 -0.249 378 HB2 PHE 55 HB2 PHE 55 5.938 -8.917 -0.458 379 HB3 PHE 55 HB3 PHE 55 4.434 -9.133 -1.339 380 HD1 PHE 55 HD2 PHE 55 2.263 -8.588 -0.183 381 HD2 PHE 55 HD1 PHE 55 6.062 -7.539 1.422 382 HE1 PHE 55 HE2 PHE 55 1.188 -6.907 1.257 383 HE2 PHE 55 HE1 PHE 55 4.996 -5.854 2.862 384 HZ PHE 55 HZ PHE 55 2.554 -5.538 2.780 385 H THR 56 H THR 56 2.864 -10.729 1.745 386 HA THR 56 HA THR 56 4.177 -9.933 4.113 387 HB THR 56 HB THR 56 2.105 -10.680 5.265 388 HG1 THR 56 HG1 THR 56 1.187 -12.304 4.217 389 HG21 THR 56 HG21 THR 56 2.155 -8.447 4.408 390 HG22 THR 56 HG22 THR 56 0.574 -9.127 4.023 391 HG23 THR 56 HG23 THR 56 1.811 -9.009 2.774 392 H GLU 57 H GLU 57 3.750 -13.015 2.588 393 HA GLU 57 HA GLU 57 4.226 -14.604 4.897 394 HB2 GLU 57 HB2 GLU 57 4.166 -16.440 3.499 395 HB3 GLU 57 HB3 GLU 57 3.255 -15.275 2.553 396 HG2 GLU 57 HG2 GLU 57 5.097 -14.870 1.122 397 HG3 GLU 57 HG3 GLU 57 6.181 -15.780 2.172 398 H THR 58 H THR 58 6.246 -12.711 2.886 399 HA THR 58 HA THR 58 8.631 -13.963 4.077 400 HB THR 58 HB THR 58 9.893 -13.297 2.069 401 HG1 THR 58 HG1 THR 58 7.934 -12.865 0.332 402 HG21 THR 58 HG21 THR 58 9.010 -14.946 0.543 403 HG22 THR 58 HG22 THR 58 7.429 -14.865 1.322 404 HG23 THR 58 HG23 THR 58 8.807 -15.536 2.195 405 H ALA 59 H ALA 59 6.761 -11.579 4.658 406 HA ALA 59 HA ALA 59 8.915 -9.629 5.064 407 HB1 ALA 59 HB1 ALA 59 7.424 -8.857 3.278 408 HB2 ALA 59 HB2 ALA 59 6.051 -8.976 4.379 409 HB3 ALA 59 HB3 ALA 59 7.339 -7.815 4.698 410 H GLU 60 H GLU 60 8.784 -8.373 6.902 411 HA GLU 60 HA GLU 60 6.793 -9.052 8.934 412 HB2 GLU 60 HB2 GLU 60 9.188 -8.865 10.359 413 HB3 GLU 60 HB3 GLU 60 8.234 -10.315 10.091 414 HG2 GLU 60 HG2 GLU 60 9.544 -10.894 8.171 415 HG3 GLU 60 HG3 GLU 60 10.412 -9.363 8.243 416 H ASP 61 H ASP 61 7.240 -7.560 10.921 417 HA ASP 61 HA ASP 61 7.032 -5.390 11.663 418 HB2 ASP 61 HB2 ASP 61 9.622 -5.872 11.266 419 HB3 ASP 61 HB3 ASP 61 9.423 -4.637 10.041 420 H ILE 62 H ILE 62 5.280 -5.659 9.676 421 HA ILE 62 HA ILE 62 5.794 -3.731 7.588 422 HB ILE 62 HB ILE 62 3.136 -5.065 8.040 423 HG12 ILE 62 HG13 ILE 62 5.691 -6.235 6.920 424 HG13 ILE 62 3HG1 ILE 62 4.638 -6.916 8.151 425 HG21 ILE 62 HG21 ILE 62 4.629 -4.137 5.583 426 HG22 ILE 62 HG22 ILE 62 3.044 -4.909 5.582 427 HG23 ILE 62 HG23 ILE 62 3.255 -3.331 6.340 428 HD11 ILE 62 HD11 ILE 62 4.439 -8.134 6.079 429 HD12 ILE 62 HD12 ILE 62 2.923 -7.307 6.451 430 HD13 ILE 62 HD13 ILE 62 4.010 -6.651 5.225 431 H ARG 63 H ARG 63 5.669 -1.680 8.060 432 HA ARG 63 HA ARG 63 3.328 -0.726 9.568 433 HB2 ARG 63 HB2 ARG 63 5.077 1.289 9.988 434 HB3 ARG 63 HB3 ARG 63 4.847 -0.048 11.107 435 HG2 ARG 63 HG2 ARG 63 6.777 -0.713 9.074 436 HG3 ARG 63 HG3 ARG 63 7.216 0.770 9.925 437 HD2 ARG 63 HD2 ARG 63 8.063 -1.406 10.919 438 HD3 ARG 63 HD3 ARG 63 7.221 -0.314 12.019 439 HE ARG 63 HE ARG 63 5.676 -2.442 10.755 440 HH11 ARG 63 HH12 ARG 63 7.337 -1.290 13.604 441 HH12 ARG 63 HH11 ARG 63 6.426 -2.287 14.702 442 HH21 ARG 63 HH22 ARG 63 4.480 -3.772 12.184 443 HH22 ARG 63 HH21 ARG 63 4.822 -3.721 13.884 444 H PHE 64 H PHE 64 2.081 0.554 8.473 445 HA PHE 64 HA PHE 64 2.952 1.517 5.863 446 HB2 PHE 64 HB2 PHE 64 0.867 0.361 5.835 447 HB3 PHE 64 HB3 PHE 64 0.266 1.275 7.211 448 HD1 PHE 64 HD1 PHE 64 1.901 2.463 4.071 449 HD2 PHE 64 HD2 PHE 64 -1.604 2.361 6.480 450 HE1 PHE 64 HE1 PHE 64 0.817 4.086 2.568 451 HE2 PHE 64 HE2 PHE 64 -2.681 3.973 4.984 452 HZ PHE 64 HZ PHE 64 -1.480 4.833 3.021 453 H HIS 65 H HIS 65 3.288 3.576 5.368 454 HA HIS 65 HA HIS 65 2.589 5.613 7.383 455 HB2 HIS 65 HB2 HIS 65 5.138 4.904 6.708 456 HB3 HIS 65 HB3 HIS 65 4.839 6.213 5.568 457 HD1 HIS 65 HD1 HIS 65 4.854 5.530 9.286 458 HD2 HIS 65 HD2 HIS 65 4.988 8.725 6.630 459 HE1 HIS 65 HE1 HIS 65 5.341 7.561 10.691 460 HE2 HIS 65 HE2 HIS 65 5.588 9.452 9.040 461 HA PRO 66 HA PRO 66 0.084 6.490 3.603 462 HB2 PRO 66 HB2 PRO 66 -1.522 8.211 5.121 463 HB3 PRO 66 HB3 PRO 66 -1.874 6.547 4.704 464 HG2 PRO 66 HG2 PRO 66 -0.847 7.671 7.228 465 HG3 PRO 66 HG3 PRO 66 -1.838 6.227 6.953 466 HD2 PRO 66 HD2 PRO 66 0.805 6.118 7.574 467 HD3 PRO 66 HD3 PRO 66 -0.008 4.889 6.584 468 H LYS 67 H LYS 67 1.179 8.695 6.028 469 HA LYS 67 HA LYS 67 1.789 10.636 3.915 470 HB2 LYS 67 HB2 LYS 67 1.282 12.428 5.763 471 HB3 LYS 67 HB3 LYS 67 0.002 11.782 4.754 472 HG2 LYS 67 HG2 LYS 67 0.472 10.337 7.271 473 HG3 LYS 67 HG3 LYS 67 -0.128 11.988 7.434 474 HD2 LYS 67 HD2 LYS 67 -1.394 9.796 5.793 475 HD3 LYS 67 HD3 LYS 67 -1.965 10.381 7.356 476 HE2 LYS 67 HE2 LYS 67 -1.753 12.029 4.840 477 HE3 LYS 67 HE3 LYS 67 -3.238 11.334 5.476 478 HZ1 LYS 67 HZ1 LYS 67 -3.069 12.716 7.408 479 HZ2 LYS 67 HZ2 LYS 67 -2.936 13.701 6.036 480 HZ3 LYS 67 HZ3 LYS 67 -1.551 13.302 6.927 481 H GLU 68 H GLU 68 3.890 9.994 3.910 482 HA GLU 68 HA GLU 68 5.520 9.927 6.218 483 HB2 GLU 68 HB2 GLU 68 6.234 8.649 4.359 484 HB3 GLU 68 HB3 GLU 68 6.151 10.035 3.279 485 HG2 GLU 68 HG2 GLU 68 8.082 11.000 4.172 486 HG3 GLU 68 HG3 GLU 68 8.041 9.960 5.601 487 H GLY 69 H GLY 69 6.096 11.545 7.413 488 HA2 GLY 69 HA3 GLY 69 6.716 13.620 8.132 489 HA3 GLY 69 HA2 GLY 69 7.636 13.698 6.642 490 H ALA 70 H ALA 70 7.326 15.856 6.318 491 HA ALA 70 HA ALA 70 4.686 17.006 6.264 492 HB1 ALA 70 HB1 ALA 70 6.626 18.347 6.922 493 HB2 ALA 70 HB2 ALA 70 7.320 18.138 5.314 494 HB3 ALA 70 HB3 ALA 70 5.818 19.040 5.517 495 H ALA 71 H ALA 71 6.595 15.203 4.168 496 HA ALA 71 HA ALA 71 5.727 16.269 1.669 497 HB1 ALA 71 HB1 ALA 71 7.780 14.988 1.805 498 HB2 ALA 71 HB2 ALA 71 6.898 13.574 2.391 499 HB3 ALA 71 HB3 ALA 71 6.643 14.157 0.742 500 H GLU 72 H GLU 72 4.490 14.045 3.997 501 HA GLU 72 HA GLU 72 2.674 12.707 4.128 502 HB2 GLU 72 HB2 GLU 72 1.564 14.903 2.378 503 HB3 GLU 72 HB3 GLU 72 0.576 13.649 3.121 504 HG2 GLU 72 HG2 GLU 72 1.508 14.389 5.334 505 HG3 GLU 72 HG3 GLU 72 2.200 15.770 4.489 506 H GLN 73 H GLN 73 4.471 11.699 2.478 507 HA GLN 73 HA GLN 73 3.072 10.850 0.058 508 HB2 GLN 73 HB2 GLN 73 5.379 11.696 -0.193 509 HB3 GLN 73 HB3 GLN 73 5.951 10.443 0.898 510 HG2 GLN 73 HG2 GLN 73 5.285 8.728 -0.675 511 HG3 GLN 73 HG3 GLN 73 4.623 9.953 -1.756 512 HE21 GLN 73 HE21 GLN 73 7.512 8.515 -0.480 513 HE22 GLN 73 HE22 GLN 73 8.604 9.204 -1.630 514 HA PRO 74 HA PRO 74 2.100 7.133 2.300 515 HB2 PRO 74 HB2 PRO 74 0.793 5.864 0.308 516 HB3 PRO 74 HB3 PRO 74 0.072 7.201 1.215 517 HG2 PRO 74 HG2 PRO 74 1.376 7.228 -1.482 518 HG3 PRO 74 HG3 PRO 74 -0.105 8.043 -0.947 519 HD2 PRO 74 HD2 PRO 74 2.296 9.312 -1.154 520 HD3 PRO 74 HD3 PRO 74 1.053 9.785 0.022 521 H ILE 75 H ILE 75 3.851 5.953 2.686 522 HA ILE 75 HA ILE 75 4.788 4.232 0.516 523 HB ILE 75 HB ILE 75 7.072 4.573 0.874 524 HG12 ILE 75 HG13 ILE 75 7.586 6.392 2.849 525 HG13 ILE 75 3HG1 ILE 75 6.255 5.476 3.552 526 HG21 ILE 75 HG21 ILE 75 6.151 6.419 -0.346 527 HG22 ILE 75 HG22 ILE 75 5.750 7.262 1.151 528 HG23 ILE 75 HG23 ILE 75 7.437 7.014 0.703 529 HD11 ILE 75 HD11 ILE 75 8.441 4.573 4.177 530 HD12 ILE 75 HD12 ILE 75 7.487 3.409 3.252 531 HD13 ILE 75 HD13 ILE 75 8.805 4.289 2.477 532 H LEU 76 H LEU 76 5.330 2.192 1.137 533 HA LEU 76 HA LEU 76 4.720 1.534 3.936 534 HB2 LEU 76 HB2 LEU 76 3.099 0.690 2.304 535 HB3 LEU 76 HB3 LEU 76 4.380 -0.116 1.432 536 HG LEU 76 HG LEU 76 2.800 -1.456 3.017 537 HD11 LEU 76 HD11 LEU 76 4.554 -3.091 3.405 538 HD12 LEU 76 HD12 LEU 76 4.705 -2.395 1.792 539 HD13 LEU 76 HD13 LEU 76 5.785 -1.870 3.084 540 HD21 LEU 76 HD21 LEU 76 3.168 -0.044 4.977 541 HD22 LEU 76 HD22 LEU 76 3.636 -1.717 5.268 542 HD23 LEU 76 HD23 LEU 76 4.874 -0.497 4.972 543 H ARG 77 H ARG 77 6.341 0.792 5.115 544 HA ARG 77 HA ARG 77 8.615 -0.452 3.729 545 HB2 ARG 77 HB2 ARG 77 10.169 0.542 5.186 546 HB3 ARG 77 HB3 ARG 77 9.064 1.842 4.776 547 HG2 ARG 77 HG2 ARG 77 8.788 0.237 7.300 548 HG3 ARG 77 HG3 ARG 77 9.809 1.668 7.192 549 HD2 ARG 77 HD2 ARG 77 6.856 1.584 6.609 550 HD3 ARG 77 HD3 ARG 77 7.575 2.154 8.113 551 HE ARG 77 HE ARG 77 7.905 3.455 5.490 552 HH11 ARG 77 HH12 ARG 77 7.859 3.589 8.990 553 HH12 ARG 77 HH11 ARG 77 8.031 5.319 9.047 554 HH21 ARG 77 HH22 ARG 77 8.155 5.742 5.574 555 HH22 ARG 77 HH21 ARG 77 8.206 6.532 7.125 556 H ALA 78 H ALA 78 9.375 -2.316 4.528 557 HA ALA 78 HA ALA 78 8.597 -3.356 7.103 558 HB1 ALA 78 HB1 ALA 78 7.604 -4.727 4.599 559 HB2 ALA 78 HB2 ALA 78 7.456 -5.342 6.246 560 HB3 ALA 78 HB3 ALA 78 6.599 -3.875 5.770 561 H ARG 79 H ARG 79 9.516 -5.644 7.356 562 HA ARG 79 HA ARG 79 12.206 -5.633 6.251 563 HB2 ARG 79 HB2 ARG 79 11.139 -7.811 8.031 564 HB3 ARG 79 HB3 ARG 79 12.783 -7.219 7.886 565 HG2 ARG 79 HG2 ARG 79 10.475 -5.960 9.332 566 HG3 ARG 79 HG3 ARG 79 12.004 -6.535 9.996 567 HD2 ARG 79 HD2 ARG 79 13.184 -4.765 8.768 568 HD3 ARG 79 HD3 ARG 79 11.635 -4.203 8.142 569 HE ARG 79 HE ARG 79 11.066 -3.857 10.601 570 HH11 ARG 79 HH12 ARG 79 14.325 -3.539 9.334 571 HH12 ARG 79 HH11 ARG 79 14.772 -2.299 10.463 572 HH21 ARG 79 HH22 ARG 79 11.647 -2.246 12.059 573 HH22 ARG 79 HH21 ARG 79 13.247 -1.565 12.019 574 H LEU 80 H LEU 80 12.564 -6.585 4.359 575 HA LEU 80 HA LEU 80 10.763 -8.717 3.495 576 HB2 LEU 80 HB2 LEU 80 12.478 -6.729 2.104 577 HB3 LEU 80 HB3 LEU 80 12.246 -8.279 1.322 578 HG LEU 80 HG LEU 80 9.964 -7.939 1.033 579 HD11 LEU 80 HD11 LEU 80 9.393 -7.272 3.271 580 HD12 LEU 80 HD12 LEU 80 10.088 -5.674 2.983 581 HD13 LEU 80 HD13 LEU 80 8.660 -6.190 2.085 582 HD21 LEU 80 HD21 LEU 80 11.212 -6.585 -0.489 583 HD22 LEU 80 HD22 LEU 80 9.744 -5.731 -0.014 584 HD23 LEU 80 HD23 LEU 80 11.294 -5.277 0.694 585 H ARG 81 H ARG 81 11.340 -10.724 3.536 586 HA ARG 81 HA ARG 81 13.992 -11.498 4.332 587 HB2 ARG 81 HB2 ARG 81 12.119 -12.676 5.277 588 HB3 ARG 81 HB3 ARG 81 11.488 -13.060 3.685 589 HG2 ARG 81 HG2 ARG 81 14.194 -14.058 4.188 590 HG3 ARG 81 HG3 ARG 81 12.956 -14.738 5.241 591 HD2 ARG 81 HD2 ARG 81 11.615 -15.154 3.119 592 HD3 ARG 81 HD3 ARG 81 13.102 -14.774 2.244 593 HE ARG 81 HE ARG 81 14.027 -16.765 2.930 594 HH11 ARG 81 HH12 ARG 81 10.990 -16.272 4.600 595 HH12 ARG 81 HH11 ARG 81 10.836 -17.936 5.082 596 HH21 ARG 81 HH22 ARG 81 13.833 -18.952 3.559 597 HH22 ARG 81 HH21 ARG 81 12.433 -19.467 4.465 598 H ASP 82 H ASP 82 15.500 -12.602 3.142 599 HA ASP 82 HA ASP 82 15.141 -12.433 0.240 600 HB2 ASP 82 HB2 ASP 82 17.469 -12.336 0.026 601 HB3 ASP 82 HB3 ASP 82 17.161 -11.419 1.497 602 H CYS 83 H CYS 83 16.497 -14.263 -0.935 603 HA CYS 83 HA CYS 83 15.083 -16.647 -0.505 604 HB2 CYS 83 HB2 CYS 83 17.704 -16.363 -1.974 605 HB3 CYS 83 HB3 CYS 83 16.490 -17.613 -2.213 606 HG CYS 83 HG CYS 83 16.202 -14.301 -3.003 607 H ASN 84 H ASN 84 17.981 -15.500 0.988 608 HA ASN 84 HA ASN 84 18.938 -18.111 1.758 609 HB2 ASN 84 HB2 ASN 84 20.470 -16.195 1.435 610 HB3 ASN 84 HB3 ASN 84 19.721 -15.384 2.803 611 HD21 ASN 84 HD21 ASN 84 21.554 -15.279 3.998 612 HD22 ASN 84 HD22 ASN 84 22.301 -16.675 4.707 613 H GLY 85 H GLY 85 16.842 -15.659 3.083 614 HA2 GLY 85 HA3 GLY 85 15.136 -16.442 4.641 615 HA3 GLY 85 HA2 GLY 85 16.356 -17.471 5.368 616 H GLU 86 H GLU 86 16.869 -14.092 4.496 617 HA GLU 86 HA GLU 86 17.145 -13.529 7.383 618 HB2 GLU 86 HB2 GLU 86 18.756 -11.844 6.869 619 HB3 GLU 86 HB3 GLU 86 19.212 -13.274 5.956 620 HG2 GLU 86 HG2 GLU 86 18.508 -12.340 3.928 621 HG3 GLU 86 HG3 GLU 86 17.595 -11.065 4.736 622 H PHE 87 H PHE 87 17.144 -10.699 7.129 623 HA PHE 87 HA PHE 87 14.635 -10.033 5.831 624 HB2 PHE 87 HB2 PHE 87 13.711 -9.003 7.907 625 HB3 PHE 87 HB3 PHE 87 13.850 -10.754 8.012 626 HD1 PHE 87 HD1 PHE 87 15.621 -11.772 9.406 627 HD2 PHE 87 HD2 PHE 87 14.935 -7.570 9.362 628 HE1 PHE 87 HE1 PHE 87 16.901 -11.543 11.492 629 HE2 PHE 87 HE2 PHE 87 16.222 -7.336 11.448 630 HZ PHE 87 HZ PHE 87 17.206 -9.326 12.511 631 H HIS 88 H HIS 88 14.697 -8.102 4.984 632 HA HIS 88 HA HIS 88 16.545 -6.092 6.051 633 HB2 HIS 88 HB2 HIS 88 16.971 -7.584 3.679 634 HB3 HIS 88 HB3 HIS 88 16.509 -5.963 3.184 635 HD1 HIS 88 HD1 HIS 88 19.326 -7.928 4.515 636 HD2 HIS 88 HD2 HIS 88 18.278 -3.904 4.196 637 HE1 HIS 88 HE1 HIS 88 21.453 -6.628 4.882 638 HE2 HIS 88 HE2 HIS 88 20.763 -4.205 4.848 639 H ASP 89 H ASP 89 15.396 -4.320 6.443 640 HA ASP 89 HA ASP 89 12.718 -4.051 5.570 641 HB2 ASP 89 HB2 ASP 89 12.758 -1.864 6.686 642 HB3 ASP 89 HB3 ASP 89 13.437 -3.129 7.703 643 H ARG 90 H ARG 90 11.977 -3.421 3.720 644 HA ARG 90 HA ARG 90 13.551 -1.481 2.144 645 HB2 ARG 90 HB2 ARG 90 11.581 -3.557 1.160 646 HB3 ARG 90 HB3 ARG 90 12.461 -2.419 0.151 647 HG2 ARG 90 HG2 ARG 90 13.646 -4.633 1.803 648 HG3 ARG 90 HG3 ARG 90 13.487 -4.594 0.047 649 HD2 ARG 90 HD2 ARG 90 14.958 -2.602 0.002 650 HD3 ARG 90 HD3 ARG 90 15.178 -2.763 1.744 651 HE ARG 90 HE ARG 90 15.836 -5.096 0.145 652 HH11 ARG 90 HH12 ARG 90 17.012 -2.210 1.737 653 HH12 ARG 90 HH11 ARG 90 18.657 -2.767 1.830 654 HH21 ARG 90 HH22 ARG 90 17.985 -5.845 0.242 655 HH22 ARG 90 HH21 ARG 90 19.221 -4.835 0.949 656 H ASP 91 H ASP 91 11.847 -0.381 0.498 657 HA ASP 91 HA ASP 91 9.378 0.249 1.888 658 HB2 ASP 91 HB2 ASP 91 9.704 2.654 1.785 659 HB3 ASP 91 HB3 ASP 91 10.986 1.926 2.739 660 H VAL 92 H VAL 92 7.798 1.074 0.553 661 HA VAL 92 HA VAL 92 8.489 1.236 -2.289 662 HB VAL 92 HB VAL 92 7.653 -1.034 -1.815 663 HG11 VAL 92 HG11 VAL 92 5.069 0.332 -1.110 664 HG12 VAL 92 HG12 VAL 92 5.313 -1.408 -1.275 665 HG13 VAL 92 HG13 VAL 92 6.130 -0.522 0.015 666 HG21 VAL 92 HG21 VAL 92 7.422 -0.130 -4.006 667 HG22 VAL 92 HG22 VAL 92 5.997 -1.093 -3.618 668 HG23 VAL 92 HG23 VAL 92 5.914 0.669 -3.561 669 H ASN 93 H ASN 93 7.245 2.565 -3.497 670 HA ASN 93 HA ASN 93 5.869 4.636 -2.028 671 HB2 ASN 93 HB2 ASN 93 6.814 4.296 -4.844 672 HB3 ASN 93 HB3 ASN 93 5.595 5.512 -4.493 673 HD21 ASN 93 HD21 ASN 93 8.305 5.901 -5.424 674 HD22 ASN 93 HD22 ASN 93 9.106 6.869 -4.227 675 H LEU 94 H LEU 94 3.836 4.343 -1.457 676 HA LEU 94 HA LEU 94 2.121 2.556 -2.917 677 HB2 LEU 94 HB2 LEU 94 1.532 4.358 -0.570 678 HB3 LEU 94 HB3 LEU 94 0.400 3.207 -1.252 679 HG LEU 94 HG LEU 94 2.783 2.743 0.465 680 HD11 LEU 94 HD11 LEU 94 0.063 1.475 0.244 681 HD12 LEU 94 HD12 LEU 94 1.282 1.085 1.457 682 HD13 LEU 94 HD13 LEU 94 0.563 2.695 1.415 683 HD21 LEU 94 HD21 LEU 94 2.959 0.419 -0.224 684 HD22 LEU 94 HD22 LEU 94 1.752 0.680 -1.485 685 HD23 LEU 94 HD23 LEU 94 3.318 1.484 -1.582 686 H ASN 95 H ASN 95 3.090 5.575 -3.589 687 HA ASN 95 HA ASN 95 0.723 6.946 -4.251 688 HB2 ASN 95 HB2 ASN 95 3.314 7.166 -5.795 689 HB3 ASN 95 HB3 ASN 95 2.059 8.388 -5.625 690 HD21 ASN 95 HD21 ASN 95 4.910 7.096 -4.385 691 HD22 ASN 95 HD22 ASN 95 5.038 8.073 -2.969 692 H ARG 96 H ARG 96 2.189 4.195 -5.572 693 HA ARG 96 HA ARG 96 1.339 4.364 -8.263 694 HB2 ARG 96 HB2 ARG 96 2.140 2.129 -6.433 695 HB3 ARG 96 HB3 ARG 96 1.424 1.751 -7.990 696 HG2 ARG 96 HG2 ARG 96 3.901 1.710 -7.963 697 HG3 ARG 96 HG3 ARG 96 3.208 2.800 -9.158 698 HD2 ARG 96 HD2 ARG 96 4.051 3.799 -6.455 699 HD3 ARG 96 HD3 ARG 96 5.222 3.607 -7.760 700 HE ARG 96 HE ARG 96 3.032 5.528 -7.630 701 HH11 ARG 96 HH12 ARG 96 5.701 4.160 -9.422 702 HH12 ARG 96 HH11 ARG 96 5.761 5.464 -10.575 703 HH21 ARG 96 HH22 ARG 96 3.113 7.269 -9.129 704 HH22 ARG 96 HH21 ARG 96 4.300 7.225 -10.400 705 H ILE 97 H ILE 97 -0.250 3.665 -5.290 706 HA ILE 97 HA ILE 97 -2.539 2.384 -6.481 707 HB ILE 97 HB ILE 97 -2.212 3.531 -3.707 708 HG12 ILE 97 HG13 ILE 97 -2.042 0.612 -4.320 709 HG13 ILE 97 3HG1 ILE 97 -0.635 1.615 -4.665 710 HG21 ILE 97 HG21 ILE 97 -4.176 1.525 -4.815 711 HG22 ILE 97 HG22 ILE 97 -4.052 2.023 -3.126 712 HG23 ILE 97 HG23 ILE 97 -4.537 3.190 -4.356 713 HD11 ILE 97 HD11 ILE 97 -0.504 0.566 -2.472 714 HD12 ILE 97 HD12 ILE 97 -0.555 2.327 -2.356 715 HD13 ILE 97 HD13 ILE 97 -1.997 1.377 -1.998 716 H GLN 98 H GLN 98 -4.112 3.414 -7.429 717 HA GLN 98 HA GLN 98 -4.497 6.274 -6.909 718 HB2 GLN 98 HB2 GLN 98 -5.341 6.404 -9.197 719 HB3 GLN 98 HB3 GLN 98 -3.712 5.746 -9.177 720 HG2 GLN 98 HG2 GLN 98 -4.833 3.453 -9.225 721 HG3 GLN 98 HG3 GLN 98 -6.302 4.324 -9.666 722 HE21 GLN 98 HE21 GLN 98 -3.141 3.336 -10.669 723 HE22 GLN 98 HE22 GLN 98 -3.318 3.750 -12.338 724 H ASN 99 H ASN 99 -6.728 6.998 -7.258 725 HA ASN 99 HA ASN 99 -8.633 5.024 -6.205 726 HB2 ASN 99 HB2 ASN 99 -8.485 6.798 -4.659 727 HB3 ASN 99 HB3 ASN 99 -8.410 8.017 -5.926 728 HD21 ASN 99 HD21 ASN 99 -10.278 8.812 -6.792 729 HD22 ASN 99 HD22 ASN 99 -11.843 8.435 -6.159 730 H VAL 100 H VAL 100 -9.992 4.250 -7.665 731 HA VAL 100 HA VAL 100 -10.737 5.982 -9.932 732 HB VAL 100 HB VAL 100 -10.766 2.955 -9.825 733 HG11 VAL 100 HG11 VAL 100 -12.508 3.875 -11.278 734 HG12 VAL 100 HG12 VAL 100 -11.295 4.832 -12.129 735 HG13 VAL 100 HG13 VAL 100 -11.248 3.070 -12.217 736 HG21 VAL 100 HG21 VAL 100 -8.903 4.830 -11.278 737 HG22 VAL 100 HG22 VAL 100 -8.498 3.861 -9.862 738 HG23 VAL 100 HG23 VAL 100 -8.893 3.070 -11.388 739 H ASN 101 H ASN 101 -12.474 6.980 -9.072 740 HA ASN 101 HA ASN 101 -14.625 7.338 -8.484 741 HB2 ASN 101 HB2 ASN 101 -14.926 5.815 -10.521 742 HB3 ASN 101 HB3 ASN 101 -15.265 4.533 -9.361 743 HD21 ASN 101 HD21 ASN 101 -17.391 4.276 -9.980 744 HD22 ASN 101 HD22 ASN 101 -18.607 5.464 -9.663 745 H GLY 102 H GLY 102 -12.737 5.956 -6.582 746 HA2 GLY 102 HA3 GLY 102 -13.338 5.904 -4.231 747 HA3 GLY 102 HA2 GLY 102 -14.850 5.142 -4.694 748 H ARG 103 H ARG 103 -12.020 4.003 -6.287 749 HA ARG 103 HA ARG 103 -11.851 1.757 -4.402 750 HB2 ARG 103 HB2 ARG 103 -11.848 0.154 -6.145 751 HB3 ARG 103 HB3 ARG 103 -13.191 1.235 -6.490 752 HG2 ARG 103 HG2 ARG 103 -11.774 2.428 -8.112 753 HG3 ARG 103 HG3 ARG 103 -10.490 1.256 -7.810 754 HD2 ARG 103 HD2 ARG 103 -11.666 0.619 -9.798 755 HD3 ARG 103 HD3 ARG 103 -12.034 -0.541 -8.524 756 HE ARG 103 HE ARG 103 -13.966 1.573 -8.708 757 HH11 ARG 103 HH12 ARG 103 -12.985 -1.537 -9.979 758 HH12 ARG 103 HH11 ARG 103 -14.566 -1.932 -10.591 759 HH21 ARG 103 HH22 ARG 103 -16.070 1.045 -9.474 760 HH22 ARG 103 HH21 ARG 103 -16.322 -0.481 -10.284 761 H LEU 104 H LEU 104 -9.836 0.922 -4.061 762 HA LEU 104 HA LEU 104 -7.595 2.546 -4.896 763 HB2 LEU 104 HB2 LEU 104 -8.167 0.588 -2.791 764 HB3 LEU 104 HB3 LEU 104 -6.553 0.444 -3.457 765 HG LEU 104 HG LEU 104 -5.950 2.624 -2.779 766 HD11 LEU 104 HD11 LEU 104 -7.530 4.219 -1.811 767 HD12 LEU 104 HD12 LEU 104 -7.951 3.800 -3.472 768 HD13 LEU 104 HD13 LEU 104 -8.854 3.097 -2.129 769 HD21 LEU 104 HD21 LEU 104 -5.948 1.018 -0.967 770 HD22 LEU 104 HD22 LEU 104 -6.410 2.608 -0.361 771 HD23 LEU 104 HD23 LEU 104 -7.639 1.369 -0.615 772 H VAL 105 H VAL 105 -6.454 2.164 -6.656 773 HA VAL 105 HA VAL 105 -6.245 -0.615 -7.640 774 HB VAL 105 HB VAL 105 -6.274 1.898 -9.330 775 HG11 VAL 105 HG11 VAL 105 -6.199 -1.006 -10.153 776 HG12 VAL 105 HG12 VAL 105 -6.309 0.377 -11.242 777 HG13 VAL 105 HG13 VAL 105 -4.859 0.137 -10.265 778 HG21 VAL 105 HG21 VAL 105 -8.424 1.096 -10.172 779 HG22 VAL 105 HG22 VAL 105 -8.366 -0.253 -9.037 780 HG23 VAL 105 HG23 VAL 105 -8.485 1.399 -8.435 781 H PHE 106 H PHE 106 -4.242 -1.378 -7.679 782 HA PHE 106 HA PHE 106 -2.035 0.371 -7.037 783 HB2 PHE 106 HB2 PHE 106 -0.773 -1.584 -6.643 784 HB3 PHE 106 HB3 PHE 106 -2.401 -1.987 -6.109 785 HD1 PHE 106 HD1 PHE 106 -3.909 -3.141 -7.934 786 HD2 PHE 106 HD2 PHE 106 0.345 -3.045 -8.013 787 HE1 PHE 106 HE1 PHE 106 -3.898 -5.095 -9.429 788 HE2 PHE 106 HE2 PHE 106 0.366 -4.997 -9.509 789 HZ PHE 106 HZ PHE 106 -1.756 -6.022 -10.221 790 H GLN 107 H GLN 107 -0.257 0.820 -8.290 791 HA GLN 107 HA GLN 107 1.076 1.098 -10.099 792 HB2 GLN 107 HB2 GLN 107 0.813 -1.412 -10.311 793 HB3 GLN 107 HB3 GLN 107 -0.466 -1.101 -11.473 794 HG2 GLN 107 HG2 GLN 107 1.486 -1.539 -12.714 795 HG3 GLN 107 HG3 GLN 107 1.209 0.200 -12.815 796 HE21 GLN 107 HE21 GLN 107 3.188 -2.317 -11.467 797 HE22 GLN 107 HE22 GLN 107 4.502 -1.299 -10.983 Start of MODEL 15 1 H MET 1 H MET 1 -2.882 13.492 -7.000 2 HA MET 1 HA MET 1 -0.383 12.758 -8.374 3 HB2 MET 1 HB2 MET 1 0.187 11.898 -5.956 4 HB3 MET 1 HB3 MET 1 0.550 13.544 -6.445 5 HG2 MET 1 HG2 MET 1 -1.282 14.408 -5.240 6 HG3 MET 1 HG3 MET 1 -1.967 12.808 -4.987 7 HE1 MET 1 HE1 MET 1 -0.872 14.011 -1.381 8 HE2 MET 1 HE2 MET 1 -1.497 15.015 -2.689 9 HE3 MET 1 HE3 MET 1 -2.222 13.439 -2.360 10 H SER 2 H SER 2 -2.050 11.230 -5.651 11 HA SER 2 HA SER 2 -2.835 9.022 -7.400 12 HB2 SER 2 HB2 SER 2 -1.477 8.570 -4.745 13 HB3 SER 2 HB3 SER 2 -1.767 7.402 -6.036 14 HG SER 2 HG SER 2 0.048 7.977 -6.897 15 H TYR 3 H TYR 3 -3.776 7.303 -5.416 16 HA TYR 3 HA TYR 3 -6.301 8.300 -4.837 17 HB2 TYR 3 HB2 TYR 3 -6.679 6.329 -3.599 18 HB3 TYR 3 HB3 TYR 3 -5.452 5.863 -4.767 19 HD1 TYR 3 HD1 TYR 3 -2.959 6.026 -3.895 20 HD2 TYR 3 HD2 TYR 3 -6.375 5.804 -1.374 21 HE1 TYR 3 HE1 TYR 3 -1.536 5.246 -2.046 22 HE2 TYR 3 HE2 TYR 3 -4.974 5.036 0.484 23 HH TYR 3 HH TYR 3 -1.582 5.189 0.419 24 H ALA 4 H ALA 4 -3.358 8.424 -2.959 25 HA ALA 4 HA ALA 4 -4.288 9.163 -0.467 26 HB1 ALA 4 HB1 ALA 4 -1.734 10.062 -1.789 27 HB2 ALA 4 HB2 ALA 4 -2.071 10.060 -0.057 28 HB3 ALA 4 HB3 ALA 4 -1.975 8.535 -0.938 29 H ASP 5 H ASP 5 -4.101 11.094 -3.359 30 HA ASP 5 HA ASP 5 -4.024 13.660 -2.251 31 HB2 ASP 5 HB2 ASP 5 -3.793 13.277 -4.653 32 HB3 ASP 5 HB3 ASP 5 -5.463 12.726 -4.745 33 H SER 6 H SER 6 -6.623 11.368 -2.546 34 HA SER 6 HA SER 6 -8.351 13.213 -1.042 35 HB2 SER 6 HB2 SER 6 -9.272 11.336 -3.230 36 HB3 SER 6 HB3 SER 6 -10.285 12.443 -2.305 37 HG SER 6 HG SER 6 -8.269 13.825 -3.373 38 H SER 7 H SER 7 -6.636 11.122 -0.017 39 HA SER 7 HA SER 7 -8.683 9.227 0.931 40 HB2 SER 7 HB2 SER 7 -5.723 8.794 0.546 41 HB3 SER 7 HB3 SER 7 -6.787 7.657 1.380 42 HG SER 7 HG SER 7 -7.051 8.555 -1.300 43 H ARG 8 H ARG 8 -8.446 8.420 3.079 44 HA ARG 8 HA ARG 8 -6.779 9.830 4.961 45 HB2 ARG 8 HB2 ARG 8 -8.351 11.098 6.035 46 HB3 ARG 8 HB3 ARG 8 -9.069 11.123 4.432 47 HG2 ARG 8 HG2 ARG 8 -10.174 8.872 5.489 48 HG3 ARG 8 HG3 ARG 8 -10.030 9.906 6.910 49 HD2 ARG 8 HD2 ARG 8 -12.103 10.516 6.113 50 HD3 ARG 8 HD3 ARG 8 -11.066 11.716 5.341 51 HE ARG 8 HE ARG 8 -11.190 10.397 3.306 52 HH11 ARG 8 HH12 ARG 8 -13.522 9.657 5.819 53 HH12 ARG 8 HH11 ARG 8 -14.618 8.853 4.735 54 HH21 ARG 8 HH22 ARG 8 -12.622 9.373 1.892 55 HH22 ARG 8 HH21 ARG 8 -14.097 8.685 2.502 56 H ASN 9 H ASN 9 -7.196 8.946 7.197 57 HA ASN 9 HA ASN 9 -7.207 7.164 8.608 58 HB2 ASN 9 HB2 ASN 9 -9.743 7.509 7.800 59 HB3 ASN 9 HB3 ASN 9 -9.482 5.880 7.195 60 HD21 ASN 9 HD21 ASN 9 -11.266 6.749 9.282 61 HD22 ASN 9 HD22 ASN 9 -10.796 5.901 10.717 62 H ALA 10 H ALA 10 -5.593 6.917 6.237 63 HA ALA 10 HA ALA 10 -5.875 4.240 5.256 64 HB1 ALA 10 HB1 ALA 10 -3.924 4.692 3.947 65 HB2 ALA 10 HB2 ALA 10 -4.962 6.114 3.905 66 HB3 ALA 10 HB3 ALA 10 -3.532 6.099 4.936 67 H VAL 11 H VAL 11 -5.391 2.538 6.389 68 HA VAL 11 HA VAL 11 -2.965 2.484 8.040 69 HB VAL 11 HB VAL 11 -5.624 1.439 9.053 70 HG11 VAL 11 HG11 VAL 11 -2.982 1.794 10.460 71 HG12 VAL 11 HG12 VAL 11 -4.472 1.194 11.186 72 HG13 VAL 11 HG13 VAL 11 -3.669 0.261 9.922 73 HG21 VAL 11 HG21 VAL 11 -4.192 3.965 9.869 74 HG22 VAL 11 HG22 VAL 11 -5.717 3.870 8.989 75 HG23 VAL 11 HG23 VAL 11 -5.623 3.294 10.653 76 H LEU 12 H LEU 12 -2.219 0.290 8.451 77 HA LEU 12 HA LEU 12 -3.046 -1.539 6.328 78 HB2 LEU 12 HB2 LEU 12 -0.547 -0.875 7.452 79 HB3 LEU 12 HB3 LEU 12 -0.872 -2.527 7.928 80 HG LEU 12 HG LEU 12 -1.081 -3.224 5.636 81 HD11 LEU 12 HD11 LEU 12 -2.188 -1.230 4.753 82 HD12 LEU 12 HD12 LEU 12 -0.678 -0.328 4.901 83 HD13 LEU 12 HD13 LEU 12 -0.791 -1.681 3.774 84 HD21 LEU 12 HD21 LEU 12 1.316 -1.433 5.997 85 HD22 LEU 12 HD22 LEU 12 1.172 -3.098 6.560 86 HD23 LEU 12 HD23 LEU 12 1.171 -2.749 4.831 87 H THR 13 H THR 13 -3.974 -3.451 6.702 88 HA THR 13 HA THR 13 -4.554 -4.213 9.483 89 HB THR 13 HB THR 13 -6.332 -4.702 7.080 90 HG1 THR 13 HG1 THR 13 -6.157 -2.490 8.844 91 HG21 THR 13 HG21 THR 13 -8.070 -5.093 8.754 92 HG22 THR 13 HG22 THR 13 -6.915 -4.768 10.047 93 HG23 THR 13 HG23 THR 13 -6.704 -6.179 9.011 94 H ASN 14 H ASN 14 -5.019 -6.571 9.718 95 HA ASN 14 HA ASN 14 -4.688 -8.802 9.343 96 HB2 ASN 14 HB2 ASN 14 -5.132 -7.901 6.842 97 HB3 ASN 14 HB3 ASN 14 -3.469 -8.446 6.664 98 HD21 ASN 14 HD21 ASN 14 -5.839 -9.486 5.422 99 HD22 ASN 14 HD22 ASN 14 -5.959 -11.153 5.881 100 H GLY 15 H GLY 15 -2.484 -6.516 9.703 101 HA2 GLY 15 HA3 GLY 15 -0.403 -6.859 10.796 102 HA3 GLY 15 HA2 GLY 15 -0.307 -8.450 10.051 103 H GLY 16 H GLY 16 -1.323 -5.956 8.013 104 HA2 GLY 16 HA3 GLY 16 0.030 -4.504 6.669 105 HA3 GLY 16 HA2 GLY 16 1.392 -5.577 6.952 106 H ARG 17 H ARG 17 -1.755 -6.808 6.211 107 HA ARG 17 HA ARG 17 -0.724 -7.704 3.607 108 HB2 ARG 17 HB2 ARG 17 -3.029 -9.018 5.012 109 HB3 ARG 17 HB3 ARG 17 -1.924 -9.697 3.825 110 HG2 ARG 17 HG2 ARG 17 -0.120 -9.501 5.600 111 HG3 ARG 17 HG3 ARG 17 -1.417 -9.148 6.731 112 HD2 ARG 17 HD2 ARG 17 -0.808 -11.508 6.785 113 HD3 ARG 17 HD3 ARG 17 -2.469 -11.275 6.244 114 HE ARG 17 HE ARG 17 -0.463 -11.543 4.148 115 HH11 ARG 17 HH12 ARG 17 -2.793 -13.166 6.197 116 HH12 ARG 17 HH11 ARG 17 -3.069 -14.468 5.073 117 HH21 ARG 17 HH22 ARG 17 -0.810 -13.272 2.680 118 HH22 ARG 17 HH21 ARG 17 -1.935 -14.525 3.083 119 H THR 18 H THR 18 -3.097 -5.830 5.184 120 HA THR 18 HA THR 18 -4.514 -5.510 2.628 121 HB THR 18 HB THR 18 -5.812 -5.515 5.361 122 HG1 THR 18 HG1 THR 18 -6.098 -7.375 3.196 123 HG21 THR 18 HG21 THR 18 -7.920 -5.328 4.134 124 HG22 THR 18 HG22 THR 18 -7.036 -5.256 2.610 125 HG23 THR 18 HG23 THR 18 -6.871 -3.950 3.788 126 H LEU 19 H LEU 19 -4.609 -3.495 1.937 127 HA LEU 19 HA LEU 19 -3.834 -1.310 3.715 128 HB2 LEU 19 HB2 LEU 19 -2.601 -1.476 1.651 129 HB3 LEU 19 HB3 LEU 19 -4.081 -1.540 0.716 130 HG LEU 19 HG LEU 19 -4.573 0.796 1.411 131 HD11 LEU 19 HD11 LEU 19 -2.794 2.135 2.402 132 HD12 LEU 19 HD12 LEU 19 -3.277 0.828 3.485 133 HD13 LEU 19 HD13 LEU 19 -1.784 0.696 2.554 134 HD21 LEU 19 HD21 LEU 19 -2.898 1.806 -0.061 135 HD22 LEU 19 HD22 LEU 19 -1.938 0.327 0.029 136 HD23 LEU 19 HD23 LEU 19 -3.531 0.297 -0.724 137 H ARG 20 H ARG 20 -5.508 -0.397 4.737 138 HA ARG 20 HA ARG 20 -8.061 -0.125 3.294 139 HB2 ARG 20 HB2 ARG 20 -7.796 -1.369 5.580 140 HB3 ARG 20 HB3 ARG 20 -7.695 0.244 6.259 141 HG2 ARG 20 HG2 ARG 20 -10.010 -0.807 4.651 142 HG3 ARG 20 HG3 ARG 20 -9.941 -0.735 6.409 143 HD2 ARG 20 HD2 ARG 20 -9.893 1.587 4.489 144 HD3 ARG 20 HD3 ARG 20 -11.204 1.138 5.579 145 HE ARG 20 HE ARG 20 -8.675 2.413 6.300 146 HH11 ARG 20 HH12 ARG 20 -11.737 1.043 7.333 147 HH12 ARG 20 HH11 ARG 20 -11.697 1.841 8.879 148 HH21 ARG 20 HH22 ARG 20 -8.641 3.447 8.330 149 HH22 ARG 20 HH21 ARG 20 -9.961 3.198 9.438 150 H ALA 21 H ALA 21 -8.613 1.851 2.631 151 HA ALA 21 HA ALA 21 -7.802 4.201 4.170 152 HB1 ALA 21 HB1 ALA 21 -7.200 3.932 1.222 153 HB2 ALA 21 HB2 ALA 21 -6.912 5.354 2.224 154 HB3 ALA 21 HB3 ALA 21 -6.002 3.868 2.516 155 H GLU 22 H GLU 22 -9.098 6.028 3.743 156 HA GLU 22 HA GLU 22 -11.617 5.355 2.375 157 HB2 GLU 22 HB2 GLU 22 -11.200 7.593 4.350 158 HB3 GLU 22 HB3 GLU 22 -12.718 6.888 3.815 159 HG2 GLU 22 HG2 GLU 22 -11.772 4.717 4.879 160 HG3 GLU 22 HG3 GLU 22 -10.707 5.833 5.738 161 H CYS 23 H CYS 23 -11.755 6.184 0.411 162 HA CYS 23 HA CYS 23 -10.579 8.833 -0.093 163 HB2 CYS 23 HB2 CYS 23 -10.200 7.980 -2.440 164 HB3 CYS 23 HB3 CYS 23 -9.184 7.265 -1.193 165 HG CYS 23 HG CYS 23 -11.131 5.784 -3.353 166 H ARG 24 H ARG 24 -11.671 10.213 -1.451 167 HA ARG 24 HA ARG 24 -14.513 9.834 -1.614 168 HB2 ARG 24 HB2 ARG 24 -14.465 12.062 -1.529 169 HB3 ARG 24 HB3 ARG 24 -12.714 12.035 -1.637 170 HG2 ARG 24 HG2 ARG 24 -14.421 11.899 -4.095 171 HG3 ARG 24 HG3 ARG 24 -14.030 13.439 -3.327 172 HD2 ARG 24 HD2 ARG 24 -11.862 13.361 -3.972 173 HD3 ARG 24 HD3 ARG 24 -11.766 11.609 -3.802 174 HE ARG 24 HE ARG 24 -13.354 11.887 -5.956 175 HH11 ARG 24 HH12 ARG 24 -10.236 13.246 -5.085 176 HH12 ARG 24 HH11 ARG 24 -9.691 13.391 -6.728 177 HH21 ARG 24 HH22 ARG 24 -12.618 12.060 -8.140 178 HH22 ARG 24 HH21 ARG 24 -11.032 12.701 -8.461 179 H ASN 25 H ASN 25 -15.769 9.611 -3.468 180 HA ASN 25 HA ASN 25 -14.425 8.292 -5.674 181 HB2 ASN 25 HB2 ASN 25 -16.720 7.757 -6.443 182 HB3 ASN 25 HB3 ASN 25 -16.399 7.243 -4.800 183 HD21 ASN 25 HD21 ASN 25 -18.604 7.130 -4.361 184 HD22 ASN 25 HD22 ASN 25 -19.547 8.560 -4.109 185 H ALA 26 H ALA 26 -15.892 8.794 -7.879 186 HA ALA 26 HA ALA 26 -14.853 11.214 -8.846 187 HB1 ALA 26 HB1 ALA 26 -15.422 9.326 -10.295 188 HB2 ALA 26 HB2 ALA 26 -17.135 9.588 -9.964 189 HB3 ALA 26 HB3 ALA 26 -16.208 10.810 -10.835 190 H ASP 27 H ASP 27 -17.946 10.423 -7.433 191 HA ASP 27 HA ASP 27 -19.314 12.813 -8.137 192 HB2 ASP 27 HB2 ASP 27 -20.488 10.755 -7.502 193 HB3 ASP 27 HB3 ASP 27 -19.793 10.841 -5.892 194 H GLY 28 H GLY 28 -17.053 11.961 -5.685 195 HA2 GLY 28 HA3 GLY 28 -15.844 13.670 -4.512 196 HA3 GLY 28 HA2 GLY 28 -17.294 14.667 -4.552 197 H ASN 29 H ASN 29 -18.171 11.544 -3.911 198 HA ASN 29 HA ASN 29 -18.725 12.167 -1.133 199 HB2 ASN 29 HB2 ASN 29 -20.220 10.874 -2.905 200 HB3 ASN 29 HB3 ASN 29 -19.291 9.496 -2.336 201 HD21 ASN 29 HD21 ASN 29 -22.137 10.080 -2.044 202 HD22 ASN 29 HD22 ASN 29 -22.448 10.051 -0.338 203 H TRP 30 H TRP 30 -17.957 11.037 0.611 204 HA TRP 30 HA TRP 30 -15.321 9.952 0.350 205 HB2 TRP 30 HB2 TRP 30 -17.159 10.503 2.663 206 HB3 TRP 30 HB3 TRP 30 -15.661 9.605 2.892 207 HD1 TRP 30 HD1 TRP 30 -14.760 11.935 0.324 208 HE1 TRP 30 HE1 TRP 30 -13.657 14.056 1.274 209 HE3 TRP 30 HE3 TRP 30 -16.154 11.443 5.219 210 HZ2 TRP 30 HZ2 TRP 30 -13.413 15.345 3.771 211 HZ3 TRP 30 HZ3 TRP 30 -15.444 13.165 6.823 212 HH2 TRP 30 HH2 TRP 30 -14.101 15.076 6.113 213 H VAL 31 H VAL 31 -14.830 7.914 -0.019 214 HA VAL 31 HA VAL 31 -16.778 5.808 0.682 215 HB VAL 31 HB VAL 31 -14.752 5.637 -1.550 216 HG11 VAL 31 HG11 VAL 31 -16.213 3.871 -2.398 217 HG12 VAL 31 HG12 VAL 31 -15.620 3.516 -0.775 218 HG13 VAL 31 HG13 VAL 31 -17.275 4.083 -1.004 219 HG21 VAL 31 HG21 VAL 31 -17.611 6.564 -1.774 220 HG22 VAL 31 HG22 VAL 31 -16.161 7.526 -2.067 221 HG23 VAL 31 HG23 VAL 31 -16.550 6.173 -3.129 222 H THR 32 H THR 32 -15.854 3.774 1.343 223 HA THR 32 HA THR 32 -13.126 4.021 2.409 224 HB THR 32 HB THR 32 -15.276 2.054 3.238 225 HG1 THR 32 HG1 THR 32 -14.489 4.502 4.499 226 HG21 THR 32 HG21 THR 32 -13.867 1.762 5.229 227 HG22 THR 32 HG22 THR 32 -12.683 2.883 4.553 228 HG23 THR 32 HG23 THR 32 -12.993 1.340 3.756 229 H SER 33 H SER 33 -11.648 3.037 1.148 230 HA SER 33 HA SER 33 -12.490 0.647 -0.355 231 HB2 SER 33 HB2 SER 33 -10.203 2.493 -1.045 232 HB3 SER 33 HB3 SER 33 -10.882 1.211 -2.044 233 HG SER 33 HG SER 33 -11.640 3.766 -1.868 234 H GLU 34 H GLU 34 -11.214 -1.155 -0.364 235 HA GLU 34 HA GLU 34 -8.840 -1.143 1.368 236 HB2 GLU 34 HB2 GLU 34 -10.759 -3.456 1.333 237 HB3 GLU 34 HB3 GLU 34 -9.531 -3.061 2.528 238 HG2 GLU 34 HG2 GLU 34 -10.885 -1.053 3.125 239 HG3 GLU 34 HG3 GLU 34 -12.145 -1.661 2.064 240 H LEU 35 H LEU 35 -7.134 -2.144 0.507 241 HA LEU 35 HA LEU 35 -7.559 -4.029 -1.708 242 HB2 LEU 35 HB2 LEU 35 -6.905 -2.115 -2.898 243 HB3 LEU 35 HB3 LEU 35 -5.770 -1.619 -1.658 244 HG LEU 35 HG LEU 35 -4.236 -3.409 -2.303 245 HD11 LEU 35 HD11 LEU 35 -6.219 -4.077 -4.475 246 HD12 LEU 35 HD12 LEU 35 -4.619 -4.791 -4.256 247 HD13 LEU 35 HD13 LEU 35 -5.877 -5.066 -3.052 248 HD21 LEU 35 HD21 LEU 35 -3.617 -2.557 -4.515 249 HD22 LEU 35 HD22 LEU 35 -5.176 -1.741 -4.628 250 HD23 LEU 35 HD23 LEU 35 -4.017 -1.259 -3.390 251 H ASP 36 H ASP 36 -6.703 -5.873 -1.287 252 HA ASP 36 HA ASP 36 -5.020 -6.305 0.953 253 HB2 ASP 36 HB2 ASP 36 -5.928 -8.051 -1.334 254 HB3 ASP 36 HB3 ASP 36 -4.902 -8.634 -0.039 255 H LEU 37 H LEU 37 -2.985 -5.666 0.957 256 HA LEU 37 HA LEU 37 -1.405 -5.163 -1.316 257 HB2 LEU 37 HB2 LEU 37 -0.547 -5.832 1.496 258 HB3 LEU 37 HB3 LEU 37 0.486 -5.149 0.247 259 HG LEU 37 HG LEU 37 -1.815 -3.861 1.644 260 HD11 LEU 37 HD11 LEU 37 -0.106 -2.277 2.284 261 HD12 LEU 37 HD12 LEU 37 0.311 -3.926 2.759 262 HD13 LEU 37 HD13 LEU 37 1.080 -3.200 1.354 263 HD21 LEU 37 HD21 LEU 37 -1.504 -1.938 0.187 264 HD22 LEU 37 HD22 LEU 37 -0.293 -2.824 -0.743 265 HD23 LEU 37 HD23 LEU 37 -1.974 -3.359 -0.746 266 H ASP 38 H ASP 38 -1.720 -7.852 0.872 267 HA ASP 38 HA ASP 38 0.311 -9.472 -0.209 268 HB2 ASP 38 HB2 ASP 38 -0.407 -11.150 1.192 269 HB3 ASP 38 HB3 ASP 38 -1.060 -9.737 2.014 270 H THR 39 H THR 39 -2.405 -8.376 -1.731 271 HA THR 39 HA THR 39 -2.624 -10.860 -3.294 272 HB THR 39 HB THR 39 -4.685 -9.557 -2.206 273 HG1 THR 39 HG1 THR 39 -4.984 -11.509 -3.186 274 HG21 THR 39 HG21 THR 39 -4.388 -7.514 -3.509 275 HG22 THR 39 HG22 THR 39 -5.897 -8.317 -3.941 276 HG23 THR 39 HG23 THR 39 -4.498 -8.444 -5.004 277 H ILE 40 H ILE 40 -1.336 -7.718 -3.410 278 HA ILE 40 HA ILE 40 -0.760 -8.095 -6.258 279 HB ILE 40 HB ILE 40 -1.126 -5.615 -6.631 280 HG12 ILE 40 HG13 ILE 40 -3.099 -4.840 -5.041 281 HG13 ILE 40 3HG1 ILE 40 -2.316 -5.935 -3.913 282 HG21 ILE 40 HG21 ILE 40 -2.593 -7.332 -7.546 283 HG22 ILE 40 HG22 ILE 40 -3.543 -7.320 -6.062 284 HG23 ILE 40 HG23 ILE 40 -3.502 -5.890 -7.092 285 HD11 ILE 40 HD11 ILE 40 -1.024 -3.582 -5.263 286 HD12 ILE 40 HD12 ILE 40 -1.588 -3.644 -3.593 287 HD13 ILE 40 HD13 ILE 40 -0.251 -4.672 -4.110 288 H ILE 41 H ILE 41 0.632 -7.959 -3.463 289 HA ILE 41 HA ILE 41 2.885 -6.307 -4.414 290 HB ILE 41 HB ILE 41 1.902 -6.562 -1.571 291 HG12 ILE 41 HG13 ILE 41 1.749 -4.443 -3.657 292 HG13 ILE 41 3HG1 ILE 41 0.574 -4.908 -2.437 293 HG21 ILE 41 HG21 ILE 41 3.719 -5.087 -0.932 294 HG22 ILE 41 HG22 ILE 41 4.329 -6.592 -1.624 295 HG23 ILE 41 HG23 ILE 41 4.337 -5.113 -2.587 296 HD11 ILE 41 HD11 ILE 41 1.467 -2.682 -2.024 297 HD12 ILE 41 HD12 ILE 41 1.876 -3.801 -0.720 298 HD13 ILE 41 HD13 ILE 41 3.094 -3.362 -1.919 299 H GLY 42 H GLY 42 4.813 -7.319 -4.423 300 HA2 GLY 42 HA3 GLY 42 4.971 -9.890 -2.980 301 HA3 GLY 42 HA2 GLY 42 5.518 -9.741 -4.643 302 H ASN 43 H ASN 43 7.093 -10.630 -2.489 303 HA ASN 43 HA ASN 43 9.016 -8.417 -2.203 304 HB2 ASN 43 HB2 ASN 43 8.399 -9.146 -0.023 305 HB3 ASN 43 HB3 ASN 43 8.517 -10.842 -0.474 306 HD21 ASN 43 HD21 ASN 43 9.898 -11.195 1.288 307 HD22 ASN 43 HD22 ASN 43 11.570 -10.724 1.238 308 H ASN 44 H ASN 44 10.426 -8.536 -3.775 309 HA ASN 44 HA ASN 44 11.295 -11.180 -4.683 310 HB2 ASN 44 HB2 ASN 44 10.467 -9.441 -6.350 311 HB3 ASN 44 HB3 ASN 44 11.935 -8.535 -5.995 312 HD21 ASN 44 HD21 ASN 44 13.875 -9.228 -6.811 313 HD22 ASN 44 HD22 ASN 44 14.024 -10.544 -7.929 314 H ASP 45 H ASP 45 12.572 -11.587 -2.874 315 HA ASP 45 HA ASP 45 14.488 -11.713 -1.669 316 HB2 ASP 45 HB2 ASP 45 15.734 -10.572 -4.177 317 HB3 ASP 45 HB3 ASP 45 16.573 -11.458 -2.907 318 H GLY 46 H GLY 46 13.252 -9.652 -0.632 319 HA2 GLY 46 HA3 GLY 46 13.764 -7.836 0.691 320 HA3 GLY 46 HA2 GLY 46 15.417 -7.924 0.097 321 H HIS 47 H HIS 47 12.471 -7.593 -1.824 322 HA HIS 47 HA HIS 47 12.816 -4.760 -2.211 323 HB2 HIS 47 HB2 HIS 47 14.531 -5.481 -3.733 324 HB3 HIS 47 HB3 HIS 47 13.482 -6.711 -4.424 325 HD1 HIS 47 HD1 HIS 47 12.781 -6.073 -6.679 326 HD2 HIS 47 HD2 HIS 47 13.134 -2.753 -4.202 327 HE1 HIS 47 HE1 HIS 47 12.101 -4.103 -8.088 328 HE2 HIS 47 HE2 HIS 47 12.234 -2.113 -6.545 329 H PHE 48 H PHE 48 10.812 -3.970 -2.325 330 HA PHE 48 HA PHE 48 8.525 -5.598 -2.622 331 HB2 PHE 48 HB2 PHE 48 8.908 -2.614 -2.713 332 HB3 PHE 48 HB3 PHE 48 7.329 -3.356 -2.951 333 HD1 PHE 48 HD2 PHE 48 6.687 -5.120 -1.076 334 HD2 PHE 48 HD1 PHE 48 9.469 -1.937 -0.602 335 HE1 PHE 48 HE2 PHE 48 6.349 -5.197 1.358 336 HE2 PHE 48 HE1 PHE 48 9.141 -2.012 1.835 337 HZ PHE 48 HZ PHE 48 7.578 -3.641 2.818 338 H GLN 49 H GLN 49 7.205 -6.033 -4.295 339 HA GLN 49 HA GLN 49 7.836 -4.860 -6.902 340 HB2 GLN 49 HB2 GLN 49 8.945 -6.912 -7.080 341 HB3 GLN 49 HB3 GLN 49 7.718 -7.768 -6.159 342 HG2 GLN 49 HG2 GLN 49 6.280 -7.909 -7.953 343 HG3 GLN 49 HG3 GLN 49 7.032 -6.561 -8.799 344 HE21 GLN 49 HE21 GLN 49 7.260 -9.937 -7.997 345 HE22 GLN 49 HE22 GLN 49 8.450 -10.346 -9.184 346 H TRP 50 H TRP 50 6.076 -3.899 -7.611 347 HA TRP 50 HA TRP 50 3.486 -4.450 -6.580 348 HB2 TRP 50 HB2 TRP 50 4.451 -2.814 -8.928 349 HB3 TRP 50 HB3 TRP 50 2.745 -2.963 -8.520 350 HD1 TRP 50 HD1 TRP 50 5.755 -0.939 -7.709 351 HE1 TRP 50 HE1 TRP 50 5.244 0.653 -5.742 352 HE3 TRP 50 HE3 TRP 50 1.334 -2.975 -6.173 353 HZ2 TRP 50 HZ2 TRP 50 3.224 0.986 -3.804 354 HZ3 TRP 50 HZ3 TRP 50 0.170 -1.961 -4.259 355 HH2 TRP 50 HH2 TRP 50 1.091 -0.022 -3.101 356 H GLY 51 H GLY 51 2.317 -6.157 -7.038 357 HA2 GLY 51 HA3 GLY 51 1.022 -7.445 -8.577 358 HA3 GLY 51 HA2 GLY 51 2.248 -7.157 -9.806 359 H GLY 52 H GLY 52 2.838 -8.207 -6.498 360 HA2 GLY 52 HA3 GLY 52 3.996 -10.685 -7.595 361 HA3 GLY 52 HA2 GLY 52 4.513 -9.908 -6.106 362 H GLN 53 H GLN 53 2.283 -9.511 -4.711 363 HA GLN 53 HA GLN 53 0.661 -10.407 -3.419 364 HB2 GLN 53 HB2 GLN 53 -0.632 -11.103 -5.217 365 HB3 GLN 53 HB3 GLN 53 0.533 -12.317 -5.720 366 HG2 GLN 53 HG2 GLN 53 -0.062 -13.587 -3.636 367 HG3 GLN 53 HG3 GLN 53 -1.363 -12.424 -3.391 368 HE21 GLN 53 HE21 GLN 53 -3.081 -12.372 -4.891 369 HE22 GLN 53 HE22 GLN 53 -3.426 -13.729 -5.910 370 H ASN 54 H ASN 54 0.542 -11.662 -1.669 371 HA ASN 54 HA ASN 54 1.146 -12.979 0.038 372 HB2 ASN 54 HB2 ASN 54 0.961 -14.741 -1.845 373 HB3 ASN 54 HB3 ASN 54 2.722 -14.752 -1.808 374 HD21 ASN 54 HD21 ASN 54 2.745 -16.891 -1.107 375 HD22 ASN 54 HD22 ASN 54 2.343 -17.334 0.517 376 H PHE 55 H PHE 55 2.768 -10.747 -0.743 377 HA PHE 55 HA PHE 55 5.530 -11.357 -0.404 378 HB2 PHE 55 HB2 PHE 55 5.903 -9.043 -0.455 379 HB3 PHE 55 HB3 PHE 55 4.417 -9.196 -1.373 380 HD1 PHE 55 HD2 PHE 55 2.221 -8.731 -0.189 381 HD2 PHE 55 HD1 PHE 55 6.012 -7.666 1.422 382 HE1 PHE 55 HE2 PHE 55 1.132 -7.086 1.279 383 HE2 PHE 55 HE1 PHE 55 4.928 -6.017 2.891 384 HZ PHE 55 HZ PHE 55 2.488 -5.724 2.821 385 H THR 56 H THR 56 2.857 -10.851 1.688 386 HA THR 56 HA THR 56 4.205 -10.192 4.057 387 HB THR 56 HB THR 56 2.072 -11.088 5.134 388 HG1 THR 56 HG1 THR 56 1.453 -12.535 3.454 389 HG21 THR 56 HG21 THR 56 2.283 -8.753 4.725 390 HG22 THR 56 HG22 THR 56 0.706 -9.228 4.089 391 HG23 THR 56 HG23 THR 56 2.061 -8.972 2.993 392 H GLU 57 H GLU 57 3.985 -13.166 2.356 393 HA GLU 57 HA GLU 57 4.325 -14.893 4.603 394 HB2 GLU 57 HB2 GLU 57 4.428 -16.634 3.088 395 HB3 GLU 57 HB3 GLU 57 3.574 -15.432 2.129 396 HG2 GLU 57 HG2 GLU 57 5.550 -14.878 0.932 397 HG3 GLU 57 HG3 GLU 57 6.539 -15.857 2.013 398 H THR 58 H THR 58 6.382 -12.842 2.786 399 HA THR 58 HA THR 58 8.749 -14.008 4.098 400 HB THR 58 HB THR 58 10.093 -13.261 2.185 401 HG1 THR 58 HG1 THR 58 7.727 -12.718 0.742 402 HG21 THR 58 HG21 THR 58 9.410 -14.888 0.587 403 HG22 THR 58 HG22 THR 58 7.736 -14.813 1.136 404 HG23 THR 58 HG23 THR 58 8.975 -15.526 2.176 405 H ALA 59 H ALA 59 6.721 -11.677 4.538 406 HA ALA 59 HA ALA 59 8.766 -9.624 5.011 407 HB1 ALA 59 HB1 ALA 59 7.195 -8.990 3.217 408 HB2 ALA 59 HB2 ALA 59 5.866 -9.119 4.368 409 HB3 ALA 59 HB3 ALA 59 7.126 -7.907 4.609 410 H GLU 60 H GLU 60 8.692 -8.498 6.892 411 HA GLU 60 HA GLU 60 6.702 -9.241 8.913 412 HB2 GLU 60 HB2 GLU 60 9.130 -9.000 10.302 413 HB3 GLU 60 HB3 GLU 60 8.191 -10.464 10.059 414 HG2 GLU 60 HG2 GLU 60 9.457 -11.019 8.096 415 HG3 GLU 60 HG3 GLU 60 10.306 -9.475 8.150 416 H ASP 61 H ASP 61 7.055 -7.766 10.908 417 HA ASP 61 HA ASP 61 6.765 -5.615 11.667 418 HB2 ASP 61 HB2 ASP 61 9.389 -6.099 11.375 419 HB3 ASP 61 HB3 ASP 61 9.231 -4.770 10.242 420 H ILE 62 H ILE 62 5.092 -5.758 9.668 421 HA ILE 62 HA ILE 62 5.723 -3.811 7.616 422 HB ILE 62 HB ILE 62 3.044 -5.135 7.947 423 HG12 ILE 62 HG13 ILE 62 5.626 -6.332 6.916 424 HG13 ILE 62 3HG1 ILE 62 4.556 -6.975 8.153 425 HG21 ILE 62 HG21 ILE 62 4.659 -4.186 5.577 426 HG22 ILE 62 HG22 ILE 62 3.103 -5.009 5.470 427 HG23 ILE 62 HG23 ILE 62 3.214 -3.430 6.247 428 HD11 ILE 62 HD11 ILE 62 3.956 -6.785 5.215 429 HD12 ILE 62 HD12 ILE 62 4.365 -8.248 6.113 430 HD13 ILE 62 HD13 ILE 62 2.855 -7.400 6.450 431 H ARG 63 H ARG 63 5.532 -1.737 8.073 432 HA ARG 63 HA ARG 63 3.117 -0.835 9.494 433 HB2 ARG 63 HB2 ARG 63 4.709 1.175 10.137 434 HB3 ARG 63 HB3 ARG 63 4.630 -0.280 11.120 435 HG2 ARG 63 HG2 ARG 63 6.606 -0.563 9.049 436 HG3 ARG 63 HG3 ARG 63 6.897 0.892 10.006 437 HD2 ARG 63 HD2 ARG 63 7.984 -1.229 10.848 438 HD3 ARG 63 HD3 ARG 63 7.009 -0.342 12.021 439 HE ARG 63 HE ARG 63 6.044 -2.725 10.578 440 HH11 ARG 63 HH12 ARG 63 6.347 -0.840 13.516 441 HH12 ARG 63 HH11 ARG 63 5.347 -1.915 14.455 442 HH21 ARG 63 HH22 ARG 63 4.697 -4.111 11.805 443 HH22 ARG 63 HH21 ARG 63 4.389 -3.754 13.473 444 H PHE 64 H PHE 64 1.919 0.520 8.380 445 HA PHE 64 HA PHE 64 2.912 1.512 5.836 446 HB2 PHE 64 HB2 PHE 64 0.790 0.404 5.737 447 HB3 PHE 64 HB3 PHE 64 0.161 1.382 7.060 448 HD1 PHE 64 HD2 PHE 64 1.900 2.157 3.840 449 HD2 PHE 64 HD1 PHE 64 -1.450 2.809 6.371 450 HE1 PHE 64 HE2 PHE 64 1.024 3.814 2.246 451 HE2 PHE 64 HE1 PHE 64 -2.319 4.469 4.792 452 HZ PHE 64 HZ PHE 64 -1.098 4.966 2.718 453 H HIS 65 H HIS 65 3.210 3.569 5.311 454 HA HIS 65 HA HIS 65 2.666 5.622 7.364 455 HB2 HIS 65 HB2 HIS 65 5.133 4.880 6.796 456 HB3 HIS 65 HB3 HIS 65 4.898 5.887 5.374 457 HD1 HIS 65 HD1 HIS 65 6.895 7.322 6.477 458 HD2 HIS 65 HD2 HIS 65 3.241 7.371 8.478 459 HE1 HIS 65 HE1 HIS 65 7.033 9.234 8.110 460 HE2 HIS 65 HE2 HIS 65 4.736 9.378 9.142 461 HA PRO 66 HA PRO 66 0.066 6.591 3.658 462 HB2 PRO 66 HB2 PRO 66 -1.475 8.337 5.195 463 HB3 PRO 66 HB3 PRO 66 -1.865 6.678 4.776 464 HG2 PRO 66 HG2 PRO 66 -0.803 7.778 7.294 465 HG3 PRO 66 HG3 PRO 66 -1.802 6.342 7.016 466 HD2 PRO 66 HD2 PRO 66 0.860 6.245 7.614 467 HD3 PRO 66 HD3 PRO 66 0.026 4.991 6.676 468 H LYS 67 H LYS 67 1.074 8.850 6.090 469 HA LYS 67 HA LYS 67 1.704 10.764 3.937 470 HB2 LYS 67 HB2 LYS 67 0.778 11.493 6.725 471 HB3 LYS 67 HB3 LYS 67 1.111 12.606 5.405 472 HG2 LYS 67 HG2 LYS 67 -1.082 12.521 5.016 473 HG3 LYS 67 HG3 LYS 67 -0.755 10.941 4.301 474 HD2 LYS 67 HD2 LYS 67 -2.589 10.784 5.878 475 HD3 LYS 67 HD3 LYS 67 -1.193 9.881 6.471 476 HE2 LYS 67 HE2 LYS 67 -0.644 11.606 8.026 477 HE3 LYS 67 HE3 LYS 67 -1.810 12.711 7.301 478 HZ1 LYS 67 HZ1 LYS 67 -2.615 11.754 9.375 479 HZ2 LYS 67 HZ2 LYS 67 -2.500 10.194 8.725 480 HZ3 LYS 67 HZ3 LYS 67 -3.602 11.309 8.072 481 H GLU 68 H GLU 68 3.803 9.916 3.889 482 HA GLU 68 HA GLU 68 5.458 9.742 6.160 483 HB2 GLU 68 HB2 GLU 68 5.976 8.477 4.192 484 HB3 GLU 68 HB3 GLU 68 6.150 9.946 3.239 485 HG2 GLU 68 HG2 GLU 68 8.239 10.301 3.934 486 HG3 GLU 68 HG3 GLU 68 7.860 9.856 5.601 487 H GLY 69 H GLY 69 6.311 11.227 7.345 488 HA2 GLY 69 HA3 GLY 69 6.994 13.263 8.122 489 HA3 GLY 69 HA2 GLY 69 8.011 13.222 6.695 490 H ALA 70 H ALA 70 8.012 15.297 6.154 491 HA ALA 70 HA ALA 70 5.568 16.843 6.069 492 HB1 ALA 70 HB1 ALA 70 7.657 17.902 6.772 493 HB2 ALA 70 HB2 ALA 70 8.373 17.547 5.201 494 HB3 ALA 70 HB3 ALA 70 7.017 18.671 5.319 495 H ALA 71 H ALA 71 7.200 14.684 4.096 496 HA ALA 71 HA ALA 71 6.670 15.822 1.543 497 HB1 ALA 71 HB1 ALA 71 7.163 12.947 2.323 498 HB2 ALA 71 HB2 ALA 71 7.211 13.593 0.682 499 HB3 ALA 71 HB3 ALA 71 8.397 14.124 1.875 500 H GLU 72 H GLU 72 4.846 13.959 3.837 501 HA GLU 72 HA GLU 72 2.716 13.149 3.864 502 HB2 GLU 72 HB2 GLU 72 2.360 15.310 1.781 503 HB3 GLU 72 HB3 GLU 72 1.033 14.420 2.514 504 HG2 GLU 72 HG2 GLU 72 3.002 15.964 4.158 505 HG3 GLU 72 HG3 GLU 72 1.578 16.717 3.449 506 H GLN 73 H GLN 73 4.428 11.591 2.464 507 HA GLN 73 HA GLN 73 2.927 10.871 0.043 508 HB2 GLN 73 HB2 GLN 73 5.270 11.623 -0.356 509 HB3 GLN 73 HB3 GLN 73 5.832 10.282 0.632 510 HG2 GLN 73 HG2 GLN 73 4.801 8.711 -0.944 511 HG3 GLN 73 HG3 GLN 73 4.299 10.070 -1.946 512 HE21 GLN 73 HE21 GLN 73 5.853 11.212 -3.116 513 HE22 GLN 73 HE22 GLN 73 7.434 10.564 -3.404 514 HA PRO 74 HA PRO 74 1.967 7.135 2.230 515 HB2 PRO 74 HB2 PRO 74 0.724 5.861 0.192 516 HB3 PRO 74 HB3 PRO 74 -0.037 7.174 1.100 517 HG2 PRO 74 HG2 PRO 74 1.315 7.251 -1.568 518 HG3 PRO 74 HG3 PRO 74 -0.178 8.048 -1.048 519 HD2 PRO 74 HD2 PRO 74 2.211 9.332 -1.202 520 HD3 PRO 74 HD3 PRO 74 0.953 9.779 -0.032 521 H ILE 75 H ILE 75 3.700 5.930 2.654 522 HA ILE 75 HA ILE 75 4.667 4.193 0.509 523 HB ILE 75 HB ILE 75 6.951 4.511 0.929 524 HG12 ILE 75 HG13 ILE 75 7.418 6.401 2.849 525 HG13 ILE 75 3HG1 ILE 75 6.063 5.513 3.544 526 HG21 ILE 75 HG21 ILE 75 7.320 6.972 0.721 527 HG22 ILE 75 HG22 ILE 75 6.130 6.304 -0.400 528 HG23 ILE 75 HG23 ILE 75 5.596 7.193 1.029 529 HD11 ILE 75 HD11 ILE 75 8.230 4.628 4.261 530 HD12 ILE 75 HD12 ILE 75 7.290 3.436 3.354 531 HD13 ILE 75 HD13 ILE 75 8.633 4.279 2.580 532 H LEU 76 H LEU 76 5.201 2.160 1.155 533 HA LEU 76 HA LEU 76 4.553 1.520 3.956 534 HB2 LEU 76 HB2 LEU 76 2.914 0.678 2.362 535 HB3 LEU 76 HB3 LEU 76 4.174 -0.104 1.437 536 HG LEU 76 HG LEU 76 2.635 -1.481 3.036 537 HD11 LEU 76 HD11 LEU 76 4.476 -2.420 1.743 538 HD12 LEU 76 HD12 LEU 76 5.620 -1.884 2.973 539 HD13 LEU 76 HD13 LEU 76 4.421 -3.114 3.363 540 HD21 LEU 76 HD21 LEU 76 3.058 -0.118 5.018 541 HD22 LEU 76 HD22 LEU 76 3.551 -1.795 5.254 542 HD23 LEU 76 HD23 LEU 76 4.766 -0.556 4.946 543 H ARG 77 H ARG 77 6.153 0.697 5.156 544 HA ARG 77 HA ARG 77 8.392 -0.572 3.735 545 HB2 ARG 77 HB2 ARG 77 9.984 0.343 5.205 546 HB3 ARG 77 HB3 ARG 77 8.931 1.686 4.797 547 HG2 ARG 77 HG2 ARG 77 8.476 0.085 7.281 548 HG3 ARG 77 HG3 ARG 77 9.670 1.378 7.233 549 HD2 ARG 77 HD2 ARG 77 6.784 1.699 6.490 550 HD3 ARG 77 HD3 ARG 77 7.446 2.087 8.080 551 HE ARG 77 HE ARG 77 7.709 3.627 5.657 552 HH11 ARG 77 HH12 ARG 77 9.076 2.963 8.818 553 HH12 ARG 77 HH11 ARG 77 9.884 4.503 8.933 554 HH21 ARG 77 HH22 ARG 77 8.785 5.682 5.820 555 HH22 ARG 77 HH21 ARG 77 9.747 6.015 7.232 556 H ALA 78 H ALA 78 9.279 -2.371 4.639 557 HA ALA 78 HA ALA 78 8.432 -3.455 7.159 558 HB1 ALA 78 HB1 ALA 78 7.344 -5.454 6.275 559 HB2 ALA 78 HB2 ALA 78 6.473 -4.003 5.782 560 HB3 ALA 78 HB3 ALA 78 7.519 -4.835 4.632 561 H ARG 79 H ARG 79 9.382 -5.755 7.393 562 HA ARG 79 HA ARG 79 12.086 -5.695 6.320 563 HB2 ARG 79 HB2 ARG 79 11.079 -7.935 8.027 564 HB3 ARG 79 HB3 ARG 79 12.682 -7.230 7.964 565 HG2 ARG 79 HG2 ARG 79 10.241 -6.123 9.323 566 HG3 ARG 79 HG3 ARG 79 11.728 -6.705 10.067 567 HD2 ARG 79 HD2 ARG 79 12.947 -4.851 8.947 568 HD3 ARG 79 HD3 ARG 79 11.394 -4.261 8.352 569 HE ARG 79 HE ARG 79 10.764 -4.036 10.765 570 HH11 ARG 79 HH12 ARG 79 14.122 -3.857 9.755 571 HH12 ARG 79 HH11 ARG 79 14.606 -2.881 11.109 572 HH21 ARG 79 HH22 ARG 79 11.386 -2.769 12.524 573 HH22 ARG 79 HH21 ARG 79 13.048 -2.282 12.702 574 H LEU 80 H LEU 80 12.473 -6.623 4.422 575 HA LEU 80 HA LEU 80 10.721 -8.781 3.514 576 HB2 LEU 80 HB2 LEU 80 12.414 -6.740 2.177 577 HB3 LEU 80 HB3 LEU 80 12.201 -8.276 1.361 578 HG LEU 80 HG LEU 80 9.905 -7.958 1.093 579 HD11 LEU 80 HD11 LEU 80 9.362 -7.319 3.341 580 HD12 LEU 80 HD12 LEU 80 10.043 -5.714 3.061 581 HD13 LEU 80 HD13 LEU 80 8.607 -6.228 2.175 582 HD21 LEU 80 HD21 LEU 80 11.141 -6.577 -0.421 583 HD22 LEU 80 HD22 LEU 80 9.669 -5.737 0.071 584 HD23 LEU 80 HD23 LEU 80 11.221 -5.284 0.779 585 H ARG 81 H ARG 81 11.357 -10.786 3.579 586 HA ARG 81 HA ARG 81 14.002 -11.477 4.430 587 HB2 ARG 81 HB2 ARG 81 12.163 -12.742 5.290 588 HB3 ARG 81 HB3 ARG 81 11.595 -13.133 3.674 589 HG2 ARG 81 HG2 ARG 81 14.328 -14.014 4.250 590 HG3 ARG 81 HG3 ARG 81 13.087 -14.768 5.243 591 HD2 ARG 81 HD2 ARG 81 11.843 -15.183 3.048 592 HD3 ARG 81 HD3 ARG 81 13.369 -14.774 2.262 593 HE ARG 81 HE ARG 81 14.330 -16.731 3.105 594 HH11 ARG 81 HH12 ARG 81 11.012 -16.389 4.153 595 HH12 ARG 81 HH11 ARG 81 10.828 -18.058 4.581 596 HH21 ARG 81 HH22 ARG 81 14.107 -18.940 3.640 597 HH22 ARG 81 HH21 ARG 81 12.586 -19.522 4.264 598 H ASP 82 H ASP 82 15.630 -12.347 3.326 599 HA ASP 82 HA ASP 82 15.454 -12.296 0.403 600 HB2 ASP 82 HB2 ASP 82 17.834 -12.403 2.263 601 HB3 ASP 82 HB3 ASP 82 17.957 -12.468 0.513 602 H CYS 83 H CYS 83 16.864 -14.062 -0.704 603 HA CYS 83 HA CYS 83 15.725 -16.551 -0.167 604 HB2 CYS 83 HB2 CYS 83 18.079 -15.694 -1.806 605 HB3 CYS 83 HB3 CYS 83 17.732 -17.406 -1.593 606 HG CYS 83 HG CYS 83 15.875 -15.057 -3.217 607 H ASN 84 H ASN 84 18.548 -15.069 1.216 608 HA ASN 84 HA ASN 84 19.743 -17.481 2.162 609 HB2 ASN 84 HB2 ASN 84 20.887 -15.218 1.894 610 HB3 ASN 84 HB3 ASN 84 20.108 -14.761 3.407 611 HD21 ASN 84 HD21 ASN 84 22.023 -14.561 4.535 612 HD22 ASN 84 HD22 ASN 84 23.003 -15.925 4.957 613 H GLY 85 H GLY 85 17.068 -15.612 3.205 614 HA2 GLY 85 HA3 GLY 85 15.493 -16.419 4.776 615 HA3 GLY 85 HA2 GLY 85 16.756 -17.399 5.507 616 H GLU 86 H GLU 86 16.937 -13.997 4.713 617 HA GLU 86 HA GLU 86 17.158 -13.399 7.585 618 HB2 GLU 86 HB2 GLU 86 18.815 -11.733 7.079 619 HB3 GLU 86 HB3 GLU 86 19.298 -13.237 6.306 620 HG2 GLU 86 HG2 GLU 86 18.667 -12.450 4.167 621 HG3 GLU 86 HG3 GLU 86 17.851 -11.044 4.853 622 H PHE 87 H PHE 87 17.203 -10.567 7.253 623 HA PHE 87 HA PHE 87 14.718 -9.977 5.825 624 HB2 PHE 87 HB2 PHE 87 13.692 -8.878 7.730 625 HB3 PHE 87 HB3 PHE 87 14.058 -10.544 8.154 626 HD1 PHE 87 HD2 PHE 87 16.074 -11.011 9.594 627 HD2 PHE 87 HD1 PHE 87 14.550 -7.087 8.966 628 HE1 PHE 87 HE2 PHE 87 17.277 -10.227 11.589 629 HE2 PHE 87 HE1 PHE 87 15.754 -6.297 10.961 630 HZ PHE 87 HZ PHE 87 17.118 -7.867 12.276 631 H HIS 88 H HIS 88 14.627 -8.136 4.932 632 HA HIS 88 HA HIS 88 16.635 -6.080 5.552 633 HB2 HIS 88 HB2 HIS 88 16.061 -7.506 3.029 634 HB3 HIS 88 HB3 HIS 88 16.214 -5.771 2.891 635 HD1 HIS 88 HD1 HIS 88 18.147 -8.754 2.773 636 HD2 HIS 88 HD2 HIS 88 18.815 -4.868 4.109 637 HE1 HIS 88 HE1 HIS 88 20.653 -8.472 2.838 638 HE2 HIS 88 HE2 HIS 88 21.019 -6.051 3.452 639 H ASP 89 H ASP 89 15.429 -4.457 6.371 640 HA ASP 89 HA ASP 89 12.683 -4.123 5.740 641 HB2 ASP 89 HB2 ASP 89 12.856 -1.988 7.005 642 HB3 ASP 89 HB3 ASP 89 13.466 -3.379 7.890 643 H ARG 90 H ARG 90 11.939 -3.511 3.870 644 HA ARG 90 HA ARG 90 13.433 -1.456 2.369 645 HB2 ARG 90 HB2 ARG 90 11.503 -3.549 1.349 646 HB3 ARG 90 HB3 ARG 90 12.328 -2.352 0.359 647 HG2 ARG 90 HG2 ARG 90 13.620 -4.564 1.932 648 HG3 ARG 90 HG3 ARG 90 13.404 -4.506 0.183 649 HD2 ARG 90 HD2 ARG 90 14.799 -2.460 0.126 650 HD3 ARG 90 HD3 ARG 90 15.084 -2.648 1.857 651 HE ARG 90 HE ARG 90 15.750 -4.963 0.274 652 HH11 ARG 90 HH12 ARG 90 16.928 -1.918 1.543 653 HH12 ARG 90 HH11 ARG 90 18.593 -2.417 1.541 654 HH21 ARG 90 HH22 ARG 90 17.935 -5.607 0.212 655 HH22 ARG 90 HH21 ARG 90 19.174 -4.492 0.725 656 H ASP 91 H ASP 91 11.772 -0.366 0.751 657 HA ASP 91 HA ASP 91 9.271 0.257 2.103 658 HB2 ASP 91 HB2 ASP 91 9.677 2.702 1.819 659 HB3 ASP 91 HB3 ASP 91 10.759 1.954 2.988 660 H VAL 92 H VAL 92 7.702 1.094 0.707 661 HA VAL 92 HA VAL 92 8.462 1.203 -2.116 662 HB VAL 92 HB VAL 92 7.623 -1.075 -1.618 663 HG11 VAL 92 HG11 VAL 92 5.224 -1.417 -1.239 664 HG12 VAL 92 HG12 VAL 92 6.010 -0.590 0.107 665 HG13 VAL 92 HG13 VAL 92 5.024 0.325 -1.037 666 HG21 VAL 92 HG21 VAL 92 6.075 -1.186 -3.512 667 HG22 VAL 92 HG22 VAL 92 5.954 0.573 -3.494 668 HG23 VAL 92 HG23 VAL 92 7.501 -0.202 -3.846 669 H ASN 93 H ASN 93 7.196 2.461 -3.395 670 HA ASN 93 HA ASN 93 5.824 4.593 -1.997 671 HB2 ASN 93 HB2 ASN 93 6.319 4.260 -4.963 672 HB3 ASN 93 HB3 ASN 93 5.819 5.731 -4.141 673 HD21 ASN 93 HD21 ASN 93 7.322 6.846 -2.856 674 HD22 ASN 93 HD22 ASN 93 9.024 6.580 -3.018 675 H LEU 94 H LEU 94 3.732 4.416 -1.527 676 HA LEU 94 HA LEU 94 2.088 2.539 -2.980 677 HB2 LEU 94 HB2 LEU 94 1.455 4.363 -0.668 678 HB3 LEU 94 HB3 LEU 94 0.298 3.259 -1.387 679 HG LEU 94 HG LEU 94 2.504 2.739 0.494 680 HD11 LEU 94 HD11 LEU 94 0.993 0.994 1.239 681 HD12 LEU 94 HD12 LEU 94 0.146 2.533 1.085 682 HD13 LEU 94 HD13 LEU 94 -0.055 1.287 -0.149 683 HD21 LEU 94 HD21 LEU 94 3.417 1.605 -1.461 684 HD22 LEU 94 HD22 LEU 94 2.849 0.437 -0.267 685 HD23 LEU 94 HD23 LEU 94 1.885 0.767 -1.703 686 H ASN 95 H ASN 95 3.045 5.571 -3.676 687 HA ASN 95 HA ASN 95 0.697 6.886 -4.477 688 HB2 ASN 95 HB2 ASN 95 3.356 7.100 -5.890 689 HB3 ASN 95 HB3 ASN 95 2.068 8.301 -5.856 690 HD21 ASN 95 HD21 ASN 95 4.870 7.151 -4.431 691 HD22 ASN 95 HD22 ASN 95 4.893 8.171 -3.041 692 H ARG 96 H ARG 96 2.059 4.056 -5.624 693 HA ARG 96 HA ARG 96 1.385 4.253 -8.372 694 HB2 ARG 96 HB2 ARG 96 2.065 1.992 -6.531 695 HB3 ARG 96 HB3 ARG 96 1.433 1.652 -8.136 696 HG2 ARG 96 HG2 ARG 96 3.858 1.589 -8.117 697 HG3 ARG 96 HG3 ARG 96 3.269 2.901 -9.136 698 HD2 ARG 96 HD2 ARG 96 3.574 3.997 -6.566 699 HD3 ARG 96 HD3 ARG 96 5.002 3.008 -6.853 700 HE ARG 96 HE ARG 96 4.109 5.232 -8.566 701 HH11 ARG 96 HH12 ARG 96 6.641 3.137 -7.321 702 HH12 ARG 96 HH11 ARG 96 7.917 3.976 -8.152 703 HH21 ARG 96 HH22 ARG 96 5.790 6.325 -9.656 704 HH22 ARG 96 HH21 ARG 96 7.427 5.779 -9.488 705 H ILE 97 H ILE 97 -0.396 3.740 -5.511 706 HA ILE 97 HA ILE 97 -2.626 2.403 -6.788 707 HB ILE 97 HB ILE 97 -2.424 3.580 -4.013 708 HG12 ILE 97 HG13 ILE 97 -2.171 0.655 -4.569 709 HG13 ILE 97 3HG1 ILE 97 -0.773 1.680 -4.884 710 HG21 ILE 97 HG21 ILE 97 -4.716 3.178 -4.721 711 HG22 ILE 97 HG22 ILE 97 -4.300 1.531 -5.195 712 HG23 ILE 97 HG23 ILE 97 -4.243 2.002 -3.495 713 HD11 ILE 97 HD11 ILE 97 -0.732 0.659 -2.657 714 HD12 ILE 97 HD12 ILE 97 -0.759 2.423 -2.596 715 HD13 ILE 97 HD13 ILE 97 -2.226 1.505 -2.260 716 H GLN 98 H GLN 98 -4.366 3.348 -7.585 717 HA GLN 98 HA GLN 98 -4.772 6.226 -7.129 718 HB2 GLN 98 HB2 GLN 98 -3.959 5.694 -9.431 719 HB3 GLN 98 HB3 GLN 98 -5.367 4.671 -9.652 720 HG2 GLN 98 HG2 GLN 98 -6.830 6.590 -9.440 721 HG3 GLN 98 HG3 GLN 98 -5.442 7.634 -9.146 722 HE21 GLN 98 HE21 GLN 98 -7.470 7.728 -11.254 723 HE22 GLN 98 HE22 GLN 98 -6.601 7.666 -12.745 724 H ASN 99 H ASN 99 -7.011 6.897 -7.348 725 HA ASN 99 HA ASN 99 -8.853 4.816 -6.374 726 HB2 ASN 99 HB2 ASN 99 -8.752 6.450 -4.707 727 HB3 ASN 99 HB3 ASN 99 -8.632 7.770 -5.864 728 HD21 ASN 99 HD21 ASN 99 -10.461 8.691 -6.657 729 HD22 ASN 99 HD22 ASN 99 -12.044 8.304 -6.086 730 H VAL 100 H VAL 100 -10.308 4.140 -7.780 731 HA VAL 100 HA VAL 100 -11.104 5.961 -9.955 732 HB VAL 100 HB VAL 100 -11.225 2.943 -9.982 733 HG11 VAL 100 HG11 VAL 100 -12.877 4.023 -11.417 734 HG12 VAL 100 HG12 VAL 100 -11.601 4.960 -12.191 735 HG13 VAL 100 HG13 VAL 100 -11.641 3.205 -12.372 736 HG21 VAL 100 HG21 VAL 100 -9.324 3.064 -11.543 737 HG22 VAL 100 HG22 VAL 100 -9.210 4.799 -11.248 738 HG23 VAL 100 HG23 VAL 100 -8.910 3.659 -9.936 739 H ASN 101 H ASN 101 -12.854 6.930 -9.056 740 HA ASN 101 HA ASN 101 -15.002 7.250 -8.430 741 HB2 ASN 101 HB2 ASN 101 -15.344 5.878 -10.528 742 HB3 ASN 101 HB3 ASN 101 -15.539 4.470 -9.487 743 HD21 ASN 101 HD21 ASN 101 -17.646 4.155 -10.199 744 HD22 ASN 101 HD22 ASN 101 -18.950 5.162 -9.661 745 H GLY 102 H GLY 102 -13.075 5.754 -6.607 746 HA2 GLY 102 HA3 GLY 102 -13.656 5.583 -4.254 747 HA3 GLY 102 HA2 GLY 102 -15.170 4.844 -4.742 748 H ARG 103 H ARG 103 -12.258 3.841 -6.339 749 HA ARG 103 HA ARG 103 -12.085 1.493 -4.585 750 HB2 ARG 103 HB2 ARG 103 -12.017 -0.026 -6.407 751 HB3 ARG 103 HB3 ARG 103 -13.387 1.033 -6.707 752 HG2 ARG 103 HG2 ARG 103 -11.991 2.339 -8.269 753 HG3 ARG 103 HG3 ARG 103 -10.685 1.179 -8.022 754 HD2 ARG 103 HD2 ARG 103 -11.861 0.624 -10.046 755 HD3 ARG 103 HD3 ARG 103 -12.177 -0.619 -8.836 756 HE ARG 103 HE ARG 103 -14.220 1.283 -8.663 757 HH11 ARG 103 HH12 ARG 103 -13.029 -1.110 -10.934 758 HH12 ARG 103 HH11 ARG 103 -14.587 -1.370 -11.662 759 HH21 ARG 103 HH22 ARG 103 -16.251 0.939 -9.617 760 HH22 ARG 103 HH21 ARG 103 -16.412 -0.200 -10.922 761 H LEU 104 H LEU 104 -10.044 0.710 -4.213 762 HA LEU 104 HA LEU 104 -7.834 2.416 -5.040 763 HB2 LEU 104 HB2 LEU 104 -8.419 0.616 -2.823 764 HB3 LEU 104 HB3 LEU 104 -6.811 0.371 -3.468 765 HG LEU 104 HG LEU 104 -6.141 2.578 -2.938 766 HD11 LEU 104 HD11 LEU 104 -8.117 3.764 -3.692 767 HD12 LEU 104 HD12 LEU 104 -9.023 3.172 -2.299 768 HD13 LEU 104 HD13 LEU 104 -7.666 4.271 -2.064 769 HD21 LEU 104 HD21 LEU 104 -6.187 1.068 -1.034 770 HD22 LEU 104 HD22 LEU 104 -6.570 2.711 -0.523 771 HD23 LEU 104 HD23 LEU 104 -7.857 1.516 -0.691 772 H VAL 105 H VAL 105 -6.662 1.952 -6.784 773 HA VAL 105 HA VAL 105 -6.297 -0.881 -7.532 774 HB VAL 105 HB VAL 105 -6.551 1.371 -9.533 775 HG11 VAL 105 HG11 VAL 105 -6.771 -0.424 -11.165 776 HG12 VAL 105 HG12 VAL 105 -5.258 -0.575 -10.268 777 HG13 VAL 105 HG13 VAL 105 -6.624 -1.625 -9.881 778 HG21 VAL 105 HG21 VAL 105 -8.784 0.509 -10.061 779 HG22 VAL 105 HG22 VAL 105 -8.660 -0.626 -8.718 780 HG23 VAL 105 HG23 VAL 105 -8.693 1.109 -8.407 781 H PHE 106 H PHE 106 -4.218 -1.458 -7.739 782 HA PHE 106 HA PHE 106 -2.167 0.560 -7.423 783 HB2 PHE 106 HB2 PHE 106 -0.691 -1.187 -6.925 784 HB3 PHE 106 HB3 PHE 106 -2.229 -1.782 -6.312 785 HD1 PHE 106 HD1 PHE 106 -3.627 -3.098 -8.239 786 HD2 PHE 106 HD2 PHE 106 0.605 -2.697 -8.029 787 HE1 PHE 106 HE1 PHE 106 -3.368 -5.121 -9.611 788 HE2 PHE 106 HE2 PHE 106 0.870 -4.719 -9.402 789 HZ PHE 106 HZ PHE 106 -1.119 -5.932 -10.195 790 H GLN 107 H GLN 107 -0.554 1.068 -8.887 791 HA GLN 107 HA GLN 107 0.366 1.524 -10.903 792 HB2 GLN 107 HB2 GLN 107 -0.443 -1.339 -11.367 793 HB3 GLN 107 HB3 GLN 107 0.432 -0.402 -12.568 794 HG2 GLN 107 HG2 GLN 107 2.269 -0.089 -10.995 795 HG3 GLN 107 HG3 GLN 107 1.386 -1.010 -9.778 796 HE21 GLN 107 HE21 GLN 107 3.992 -1.500 -11.063 797 HE22 GLN 107 HE22 GLN 107 3.876 -3.084 -11.743 Start of MODEL 16 1 H MET 1 H MET 1 -2.960 13.535 -9.391 2 HA MET 1 HA MET 1 -0.908 12.267 -8.977 3 HB2 MET 1 HB2 MET 1 -1.500 14.094 -7.498 4 HB3 MET 1 HB3 MET 1 -2.598 13.059 -6.596 5 HG2 MET 1 HG2 MET 1 -0.474 13.495 -5.431 6 HG3 MET 1 HG3 MET 1 -0.775 11.782 -5.719 7 HE1 MET 1 HE1 MET 1 1.774 11.272 -5.157 8 HE2 MET 1 HE2 MET 1 3.132 12.057 -5.963 9 HE3 MET 1 HE3 MET 1 2.083 12.988 -4.894 10 H SER 2 H SER 2 -2.902 11.209 -6.284 11 HA SER 2 HA SER 2 -2.753 8.423 -7.060 12 HB2 SER 2 HB2 SER 2 -1.472 9.338 -4.469 13 HB3 SER 2 HB3 SER 2 -1.522 7.697 -5.111 14 HG SER 2 HG SER 2 -0.005 8.182 -6.553 15 H TYR 3 H TYR 3 -3.615 7.133 -4.930 16 HA TYR 3 HA TYR 3 -6.245 8.068 -4.533 17 HB2 TYR 3 HB2 TYR 3 -6.574 6.161 -3.170 18 HB3 TYR 3 HB3 TYR 3 -5.361 5.664 -4.343 19 HD1 TYR 3 HD2 TYR 3 -2.908 5.678 -3.599 20 HD2 TYR 3 HD1 TYR 3 -6.159 6.001 -0.878 21 HE1 TYR 3 HE2 TYR 3 -1.423 5.023 -1.754 22 HE2 TYR 3 HE1 TYR 3 -4.692 5.351 0.976 23 HH TYR 3 HH TYR 3 -1.287 5.216 0.658 24 H ALA 4 H ALA 4 -3.315 8.302 -2.619 25 HA ALA 4 HA ALA 4 -4.272 9.207 -0.190 26 HB1 ALA 4 HB1 ALA 4 -1.700 10.016 -1.534 27 HB2 ALA 4 HB2 ALA 4 -2.057 10.121 0.189 28 HB3 ALA 4 HB3 ALA 4 -1.954 8.545 -0.594 29 H ASP 5 H ASP 5 -4.067 10.912 -3.192 30 HA ASP 5 HA ASP 5 -3.977 13.563 -2.363 31 HB2 ASP 5 HB2 ASP 5 -3.798 12.995 -4.701 32 HB3 ASP 5 HB3 ASP 5 -5.415 12.300 -4.706 33 H SER 6 H SER 6 -6.596 11.269 -2.256 34 HA SER 6 HA SER 6 -8.199 13.258 -0.822 35 HB2 SER 6 HB2 SER 6 -9.293 11.481 -3.017 36 HB3 SER 6 HB3 SER 6 -10.227 12.604 -2.029 37 HG SER 6 HG SER 6 -8.014 13.513 -3.528 38 H SER 7 H SER 7 -6.597 11.088 0.140 39 HA SER 7 HA SER 7 -8.690 9.275 1.139 40 HB2 SER 7 HB2 SER 7 -5.749 8.747 0.720 41 HB3 SER 7 HB3 SER 7 -6.833 7.652 1.577 42 HG SER 7 HG SER 7 -7.258 8.549 -1.080 43 H ARG 8 H ARG 8 -8.519 8.530 3.280 44 HA ARG 8 HA ARG 8 -6.768 9.917 5.125 45 HB2 ARG 8 HB2 ARG 8 -8.361 11.116 6.284 46 HB3 ARG 8 HB3 ARG 8 -9.018 11.238 4.660 47 HG2 ARG 8 HG2 ARG 8 -10.168 8.931 5.595 48 HG3 ARG 8 HG3 ARG 8 -10.113 9.951 7.033 49 HD2 ARG 8 HD2 ARG 8 -12.128 10.591 6.143 50 HD3 ARG 8 HD3 ARG 8 -11.057 11.764 5.374 51 HE ARG 8 HE ARG 8 -11.092 10.340 3.391 52 HH11 ARG 8 HH12 ARG 8 -13.578 9.823 5.808 53 HH12 ARG 8 HH11 ARG 8 -14.685 9.078 4.693 54 HH21 ARG 8 HH22 ARG 8 -12.545 9.336 1.930 55 HH22 ARG 8 HH21 ARG 8 -14.082 8.773 2.506 56 H ASN 9 H ASN 9 -7.095 9.014 7.350 57 HA ASN 9 HA ASN 9 -6.999 7.210 8.715 58 HB2 ASN 9 HB2 ASN 9 -9.612 6.739 7.292 59 HB3 ASN 9 HB3 ASN 9 -9.063 5.720 8.623 60 HD21 ASN 9 HD21 ASN 9 -11.392 7.433 8.460 61 HD22 ASN 9 HD22 ASN 9 -11.247 8.561 9.771 62 H ALA 10 H ALA 10 -5.522 6.974 6.326 63 HA ALA 10 HA ALA 10 -5.848 4.330 5.260 64 HB1 ALA 10 HB1 ALA 10 -4.897 6.270 3.995 65 HB2 ALA 10 HB2 ALA 10 -3.454 6.139 4.997 66 HB3 ALA 10 HB3 ALA 10 -3.918 4.807 3.938 67 H VAL 11 H VAL 11 -5.367 2.587 6.380 68 HA VAL 11 HA VAL 11 -2.912 2.494 7.978 69 HB VAL 11 HB VAL 11 -5.558 1.506 9.075 70 HG11 VAL 11 HG11 VAL 11 -4.336 1.251 11.174 71 HG12 VAL 11 HG12 VAL 11 -3.608 0.290 9.888 72 HG13 VAL 11 HG13 VAL 11 -2.859 1.806 10.387 73 HG21 VAL 11 HG21 VAL 11 -5.446 3.362 10.684 74 HG22 VAL 11 HG22 VAL 11 -4.054 4.012 9.818 75 HG23 VAL 11 HG23 VAL 11 -5.626 3.929 9.024 76 H LEU 12 H LEU 12 -2.100 0.358 8.238 77 HA LEU 12 HA LEU 12 -3.016 -1.480 6.188 78 HB2 LEU 12 HB2 LEU 12 -0.525 -0.914 7.422 79 HB3 LEU 12 HB3 LEU 12 -0.928 -2.573 7.817 80 HG LEU 12 HG LEU 12 -1.026 -3.197 5.519 81 HD11 LEU 12 HD11 LEU 12 -2.156 -1.257 4.612 82 HD12 LEU 12 HD12 LEU 12 -0.724 -0.264 4.888 83 HD13 LEU 12 HD13 LEU 12 -0.677 -1.571 3.704 84 HD21 LEU 12 HD21 LEU 12 1.235 -2.581 4.741 85 HD22 LEU 12 HD22 LEU 12 1.328 -1.392 6.038 86 HD23 LEU 12 HD23 LEU 12 1.203 -3.107 6.424 87 H THR 13 H THR 13 -3.816 -3.537 6.580 88 HA THR 13 HA THR 13 -4.501 -4.181 9.361 89 HB THR 13 HB THR 13 -6.348 -4.580 6.995 90 HG1 THR 13 HG1 THR 13 -5.762 -2.310 8.321 91 HG21 THR 13 HG21 THR 13 -6.881 -4.622 9.974 92 HG22 THR 13 HG22 THR 13 -6.720 -6.049 8.951 93 HG23 THR 13 HG23 THR 13 -8.060 -4.928 8.695 94 H ASN 14 H ASN 14 -5.016 -6.479 9.664 95 HA ASN 14 HA ASN 14 -4.753 -8.729 9.359 96 HB2 ASN 14 HB2 ASN 14 -5.310 -7.925 6.854 97 HB3 ASN 14 HB3 ASN 14 -3.663 -8.496 6.613 98 HD21 ASN 14 HD21 ASN 14 -6.141 -9.610 5.570 99 HD22 ASN 14 HD22 ASN 14 -6.212 -11.241 6.142 100 H GLY 15 H GLY 15 -2.494 -6.543 9.630 101 HA2 GLY 15 HA3 GLY 15 -0.374 -6.936 10.595 102 HA3 GLY 15 HA2 GLY 15 -0.356 -8.530 9.851 103 H GLY 16 H GLY 16 -1.333 -5.812 7.988 104 HA2 GLY 16 HA3 GLY 16 -0.030 -4.442 6.562 105 HA3 GLY 16 HA2 GLY 16 1.330 -5.531 6.803 106 H ARG 17 H ARG 17 -1.749 -6.909 6.166 107 HA ARG 17 HA ARG 17 -0.783 -7.730 3.521 108 HB2 ARG 17 HB2 ARG 17 -3.126 -8.967 4.936 109 HB3 ARG 17 HB3 ARG 17 -2.089 -9.669 3.705 110 HG2 ARG 17 HG2 ARG 17 -0.229 -9.534 5.462 111 HG3 ARG 17 HG3 ARG 17 -1.526 -9.261 6.616 112 HD2 ARG 17 HD2 ARG 17 -0.903 -11.631 6.494 113 HD3 ARG 17 HD3 ARG 17 -2.572 -11.356 5.998 114 HE ARG 17 HE ARG 17 -0.674 -11.407 3.820 115 HH11 ARG 17 HH12 ARG 17 -2.712 -13.358 5.891 116 HH12 ARG 17 HH11 ARG 17 -2.935 -14.614 4.716 117 HH21 ARG 17 HH22 ARG 17 -0.979 -13.056 2.259 118 HH22 ARG 17 HH21 ARG 17 -1.940 -14.448 2.648 119 H THR 18 H THR 18 -3.109 -5.790 5.080 120 HA THR 18 HA THR 18 -4.497 -5.439 2.516 121 HB THR 18 HB THR 18 -5.787 -5.518 5.246 122 HG1 THR 18 HG1 THR 18 -6.168 -7.215 2.970 123 HG21 THR 18 HG21 THR 18 -7.910 -5.234 4.026 124 HG22 THR 18 HG22 THR 18 -7.008 -5.004 2.528 125 HG23 THR 18 HG23 THR 18 -6.853 -3.834 3.839 126 H LEU 19 H LEU 19 -4.581 -3.438 1.833 127 HA LEU 19 HA LEU 19 -3.775 -1.251 3.582 128 HB2 LEU 19 HB2 LEU 19 -2.624 -1.398 1.470 129 HB3 LEU 19 HB3 LEU 19 -4.141 -1.481 0.599 130 HG LEU 19 HG LEU 19 -4.638 0.843 1.270 131 HD11 LEU 19 HD11 LEU 19 -3.392 0.962 3.335 132 HD12 LEU 19 HD12 LEU 19 -1.873 0.739 2.464 133 HD13 LEU 19 HD13 LEU 19 -2.823 2.207 2.224 134 HD21 LEU 19 HD21 LEU 19 -3.582 0.375 -0.864 135 HD22 LEU 19 HD22 LEU 19 -2.981 1.891 -0.192 136 HD23 LEU 19 HD23 LEU 19 -1.992 0.434 -0.106 137 H ARG 20 H ARG 20 -5.401 -0.322 4.658 138 HA ARG 20 HA ARG 20 -8.005 -0.075 3.307 139 HB2 ARG 20 HB2 ARG 20 -7.623 -1.290 5.613 140 HB3 ARG 20 HB3 ARG 20 -7.597 0.345 6.249 141 HG2 ARG 20 HG2 ARG 20 -9.862 -0.887 4.700 142 HG3 ARG 20 HG3 ARG 20 -9.795 -0.700 6.450 143 HD2 ARG 20 HD2 ARG 20 -9.841 1.502 4.396 144 HD3 ARG 20 HD3 ARG 20 -11.144 1.058 5.498 145 HE ARG 20 HE ARG 20 -8.642 2.420 6.210 146 HH11 ARG 20 HH12 ARG 20 -11.784 1.198 7.127 147 HH12 ARG 20 HH11 ARG 20 -11.866 2.137 8.586 148 HH21 ARG 20 HH22 ARG 20 -8.728 3.644 8.139 149 HH22 ARG 20 HH21 ARG 20 -10.108 3.486 9.195 150 H ALA 21 H ALA 21 -8.582 1.899 2.653 151 HA ALA 21 HA ALA 21 -7.720 4.246 4.151 152 HB1 ALA 21 HB1 ALA 21 -7.136 3.925 1.206 153 HB2 ALA 21 HB2 ALA 21 -6.878 5.387 2.160 154 HB3 ALA 21 HB3 ALA 21 -5.941 3.932 2.504 155 H GLU 22 H GLU 22 -9.106 5.995 3.911 156 HA GLU 22 HA GLU 22 -11.605 5.364 2.502 157 HB2 GLU 22 HB2 GLU 22 -11.220 7.606 4.473 158 HB3 GLU 22 HB3 GLU 22 -12.719 6.829 3.980 159 HG2 GLU 22 HG2 GLU 22 -11.643 4.711 5.046 160 HG3 GLU 22 HG3 GLU 22 -10.628 5.890 5.882 161 H CYS 23 H CYS 23 -11.700 6.198 0.515 162 HA CYS 23 HA CYS 23 -10.597 8.899 0.098 163 HB2 CYS 23 HB2 CYS 23 -9.137 7.182 -0.902 164 HB3 CYS 23 HB3 CYS 23 -10.496 6.590 -1.852 165 HG CYS 23 HG CYS 23 -10.710 8.753 -3.494 166 H ARG 24 H ARG 24 -11.664 10.222 -1.322 167 HA ARG 24 HA ARG 24 -14.477 9.742 -1.614 168 HB2 ARG 24 HB2 ARG 24 -14.514 11.977 -1.521 169 HB3 ARG 24 HB3 ARG 24 -12.759 12.010 -1.536 170 HG2 ARG 24 HG2 ARG 24 -14.364 11.853 -4.065 171 HG3 ARG 24 HG3 ARG 24 -13.984 13.390 -3.285 172 HD2 ARG 24 HD2 ARG 24 -11.745 13.224 -3.750 173 HD3 ARG 24 HD3 ARG 24 -11.776 11.461 -3.786 174 HE ARG 24 HE ARG 24 -13.211 11.975 -5.936 175 HH11 ARG 24 HH12 ARG 24 -10.242 13.444 -4.802 176 HH12 ARG 24 HH11 ARG 24 -9.667 13.852 -6.390 177 HH21 ARG 24 HH22 ARG 24 -12.470 12.550 -8.060 178 HH22 ARG 24 HH21 ARG 24 -10.946 13.361 -8.237 179 H ASN 25 H ASN 25 -15.616 9.503 -3.550 180 HA ASN 25 HA ASN 25 -14.102 8.211 -5.669 181 HB2 ASN 25 HB2 ASN 25 -16.201 7.398 -6.464 182 HB3 ASN 25 HB3 ASN 25 -16.211 7.267 -4.716 183 HD21 ASN 25 HD21 ASN 25 -18.504 7.238 -6.348 184 HD22 ASN 25 HD22 ASN 25 -19.447 8.635 -5.950 185 H ALA 26 H ALA 26 -15.458 8.674 -7.946 186 HA ALA 26 HA ALA 26 -14.491 11.190 -8.791 187 HB1 ALA 26 HB1 ALA 26 -15.497 10.649 -10.937 188 HB2 ALA 26 HB2 ALA 26 -14.653 9.251 -10.271 189 HB3 ALA 26 HB3 ALA 26 -16.413 9.339 -10.192 190 H ASP 27 H ASP 27 -17.375 10.327 -7.244 191 HA ASP 27 HA ASP 27 -18.946 12.513 -8.338 192 HB2 ASP 27 HB2 ASP 27 -19.939 10.275 -7.726 193 HB3 ASP 27 HB3 ASP 27 -19.635 10.672 -6.039 194 H GLY 28 H GLY 28 -16.745 11.955 -5.813 195 HA2 GLY 28 HA3 GLY 28 -15.841 13.715 -4.504 196 HA3 GLY 28 HA2 GLY 28 -17.353 14.595 -4.691 197 H ASN 29 H ASN 29 -17.970 11.396 -4.061 198 HA ASN 29 HA ASN 29 -18.766 11.992 -1.320 199 HB2 ASN 29 HB2 ASN 29 -20.235 10.779 -3.057 200 HB3 ASN 29 HB3 ASN 29 -19.169 9.410 -2.797 201 HD21 ASN 29 HD21 ASN 29 -20.939 8.205 -2.054 202 HD22 ASN 29 HD22 ASN 29 -21.550 8.423 -0.451 203 H TRP 30 H TRP 30 -18.068 10.818 0.430 204 HA TRP 30 HA TRP 30 -15.391 9.784 0.247 205 HB2 TRP 30 HB2 TRP 30 -17.271 10.350 2.526 206 HB3 TRP 30 HB3 TRP 30 -15.772 9.464 2.787 207 HD1 TRP 30 HD1 TRP 30 -14.758 11.707 0.236 208 HE1 TRP 30 HE1 TRP 30 -13.715 13.868 1.163 209 HE3 TRP 30 HE3 TRP 30 -16.437 11.406 5.051 210 HZ2 TRP 30 HZ2 TRP 30 -13.616 15.259 3.619 211 HZ3 TRP 30 HZ3 TRP 30 -15.824 13.193 6.628 212 HH2 TRP 30 HH2 TRP 30 -14.442 15.081 5.923 213 H VAL 31 H VAL 31 -14.808 7.726 0.081 214 HA VAL 31 HA VAL 31 -16.764 5.632 0.781 215 HB VAL 31 HB VAL 31 -14.855 5.316 -1.516 216 HG11 VAL 31 HG11 VAL 31 -16.509 3.670 -2.271 217 HG12 VAL 31 HG12 VAL 31 -15.896 3.309 -0.657 218 HG13 VAL 31 HG13 VAL 31 -17.495 4.026 -0.853 219 HG21 VAL 31 HG21 VAL 31 -17.613 6.520 -1.689 220 HG22 VAL 31 HG22 VAL 31 -16.083 7.311 -2.078 221 HG23 VAL 31 HG23 VAL 31 -16.662 5.968 -3.069 222 H THR 32 H THR 32 -15.917 3.857 1.825 223 HA THR 32 HA THR 32 -13.124 4.018 2.631 224 HB THR 32 HB THR 32 -15.183 1.980 3.504 225 HG1 THR 32 HG1 THR 32 -14.531 4.178 5.133 226 HG21 THR 32 HG21 THR 32 -12.614 2.957 4.757 227 HG22 THR 32 HG22 THR 32 -12.877 1.383 4.006 228 HG23 THR 32 HG23 THR 32 -13.733 1.807 5.488 229 H SER 33 H SER 33 -11.656 3.057 1.358 230 HA SER 33 HA SER 33 -12.498 0.710 -0.210 231 HB2 SER 33 HB2 SER 33 -10.102 2.436 -0.793 232 HB3 SER 33 HB3 SER 33 -10.974 1.363 -1.886 233 HG SER 33 HG SER 33 -12.539 2.830 -2.120 234 H GLU 34 H GLU 34 -11.293 -1.136 -0.199 235 HA GLU 34 HA GLU 34 -8.891 -1.213 1.487 236 HB2 GLU 34 HB2 GLU 34 -10.855 -3.491 1.396 237 HB3 GLU 34 HB3 GLU 34 -9.602 -3.166 2.586 238 HG2 GLU 34 HG2 GLU 34 -10.924 -1.151 3.276 239 HG3 GLU 34 HG3 GLU 34 -12.218 -1.733 2.236 240 H LEU 35 H LEU 35 -7.207 -2.224 0.566 241 HA LEU 35 HA LEU 35 -7.694 -4.063 -1.676 242 HB2 LEU 35 HB2 LEU 35 -7.062 -2.169 -2.887 243 HB3 LEU 35 HB3 LEU 35 -5.933 -1.637 -1.659 244 HG LEU 35 HG LEU 35 -4.378 -3.434 -2.293 245 HD11 LEU 35 HD11 LEU 35 -5.996 -5.087 -3.091 246 HD12 LEU 35 HD12 LEU 35 -6.352 -4.068 -4.487 247 HD13 LEU 35 HD13 LEU 35 -4.745 -4.774 -4.293 248 HD21 LEU 35 HD21 LEU 35 -3.730 -2.536 -4.477 249 HD22 LEU 35 HD22 LEU 35 -5.292 -1.726 -4.603 250 HD23 LEU 35 HD23 LEU 35 -4.154 -1.257 -3.339 251 H ASP 36 H ASP 36 -6.777 -5.916 -1.366 252 HA ASP 36 HA ASP 36 -5.063 -6.396 0.842 253 HB2 ASP 36 HB2 ASP 36 -6.083 -8.028 -1.457 254 HB3 ASP 36 HB3 ASP 36 -4.820 -8.662 -0.422 255 H LEU 37 H LEU 37 -3.052 -5.686 0.874 256 HA LEU 37 HA LEU 37 -1.481 -5.029 -1.368 257 HB2 LEU 37 HB2 LEU 37 -0.684 -5.744 1.448 258 HB3 LEU 37 HB3 LEU 37 0.429 -5.130 0.237 259 HG LEU 37 HG LEU 37 -1.821 -3.716 1.579 260 HD11 LEU 37 HD11 LEU 37 -0.053 -2.175 2.149 261 HD12 LEU 37 HD12 LEU 37 0.332 -3.824 2.654 262 HD13 LEU 37 HD13 LEU 37 1.087 -3.148 1.213 263 HD21 LEU 37 HD21 LEU 37 -1.464 -1.843 0.067 264 HD22 LEU 37 HD22 LEU 37 -0.309 -2.802 -0.860 265 HD23 LEU 37 HD23 LEU 37 -2.010 -3.270 -0.817 266 H ASP 38 H ASP 38 -1.654 -7.801 0.726 267 HA ASP 38 HA ASP 38 0.453 -9.280 -0.398 268 HB2 ASP 38 HB2 ASP 38 -0.194 -11.029 0.952 269 HB3 ASP 38 HB3 ASP 38 -0.947 -9.682 1.796 270 H THR 39 H THR 39 -2.330 -8.289 -1.889 271 HA THR 39 HA THR 39 -2.476 -10.747 -3.492 272 HB THR 39 HB THR 39 -4.516 -9.339 -2.406 273 HG1 THR 39 HG1 THR 39 -4.669 -11.425 -3.268 274 HG21 THR 39 HG21 THR 39 -4.360 -8.478 -5.291 275 HG22 THR 39 HG22 THR 39 -4.215 -7.428 -3.880 276 HG23 THR 39 HG23 THR 39 -5.741 -8.244 -4.220 277 H ILE 40 H ILE 40 -1.223 -7.589 -3.568 278 HA ILE 40 HA ILE 40 -0.594 -7.923 -6.410 279 HB ILE 40 HB ILE 40 -0.983 -5.441 -6.754 280 HG12 ILE 40 HG13 ILE 40 -2.991 -4.700 -5.205 281 HG13 ILE 40 3HG1 ILE 40 -2.250 -5.820 -4.073 282 HG21 ILE 40 HG21 ILE 40 -3.349 -7.247 -6.278 283 HG22 ILE 40 HG22 ILE 40 -3.391 -5.743 -7.199 284 HG23 ILE 40 HG23 ILE 40 -2.413 -7.098 -7.765 285 HD11 ILE 40 HD11 ILE 40 -1.524 -3.552 -3.667 286 HD12 ILE 40 HD12 ILE 40 -0.171 -4.553 -4.192 287 HD13 ILE 40 HD13 ILE 40 -0.926 -3.428 -5.321 288 H ILE 41 H ILE 41 0.728 -7.806 -3.587 289 HA ILE 41 HA ILE 41 3.003 -6.151 -4.467 290 HB ILE 41 HB ILE 41 1.948 -6.419 -1.649 291 HG12 ILE 41 HG13 ILE 41 1.842 -4.290 -3.727 292 HG13 ILE 41 3HG1 ILE 41 0.649 -4.748 -2.518 293 HG21 ILE 41 HG21 ILE 41 4.410 -4.966 -2.593 294 HG22 ILE 41 HG22 ILE 41 3.754 -4.962 -0.952 295 HG23 ILE 41 HG23 ILE 41 4.382 -6.458 -1.651 296 HD11 ILE 41 HD11 ILE 41 1.917 -3.632 -0.794 297 HD12 ILE 41 HD12 ILE 41 3.187 -3.241 -1.957 298 HD13 ILE 41 HD13 ILE 41 1.584 -2.520 -2.124 299 H GLY 42 H GLY 42 4.912 -7.210 -4.480 300 HA2 GLY 42 HA3 GLY 42 5.025 -9.783 -3.029 301 HA3 GLY 42 HA2 GLY 42 5.578 -9.649 -4.689 302 H ASN 43 H ASN 43 7.093 -10.523 -2.438 303 HA ASN 43 HA ASN 43 9.077 -8.365 -2.224 304 HB2 ASN 43 HB2 ASN 43 8.401 -8.934 -0.020 305 HB3 ASN 43 HB3 ASN 43 8.425 -10.656 -0.376 306 HD21 ASN 43 HD21 ASN 43 9.762 -11.072 1.364 307 HD22 ASN 43 HD22 ASN 43 11.454 -10.688 1.348 308 H ASN 44 H ASN 44 10.612 -8.614 -3.667 309 HA ASN 44 HA ASN 44 11.481 -11.344 -4.331 310 HB2 ASN 44 HB2 ASN 44 11.725 -8.734 -5.812 311 HB3 ASN 44 HB3 ASN 44 12.678 -10.147 -6.253 312 HD21 ASN 44 HD21 ASN 44 11.649 -11.955 -7.096 313 HD22 ASN 44 HD22 ASN 44 10.043 -11.874 -7.744 314 H ASP 45 H ASP 45 12.709 -11.652 -2.474 315 HA ASP 45 HA ASP 45 14.544 -11.627 -1.143 316 HB2 ASP 45 HB2 ASP 45 15.746 -11.015 -3.836 317 HB3 ASP 45 HB3 ASP 45 16.738 -11.263 -2.404 318 H GLY 46 H GLY 46 13.330 -9.445 -0.418 319 HA2 GLY 46 HA3 GLY 46 13.877 -7.550 0.802 320 HA3 GLY 46 HA2 GLY 46 15.509 -7.648 0.161 321 H HIS 47 H HIS 47 12.601 -7.580 -1.805 322 HA HIS 47 HA HIS 47 12.900 -4.759 -2.382 323 HB2 HIS 47 HB2 HIS 47 13.841 -6.861 -4.240 324 HB3 HIS 47 HB3 HIS 47 12.856 -5.590 -4.957 325 HD1 HIS 47 HD1 HIS 47 13.788 -3.117 -4.703 326 HD2 HIS 47 HD2 HIS 47 16.442 -6.155 -3.691 327 HE1 HIS 47 HE1 HIS 47 16.064 -2.043 -4.648 328 HE2 HIS 47 HE2 HIS 47 17.627 -3.865 -3.878 329 H PHE 48 H PHE 48 10.922 -3.974 -2.431 330 HA PHE 48 HA PHE 48 8.602 -5.579 -2.686 331 HB2 PHE 48 HB2 PHE 48 9.041 -2.597 -2.727 332 HB3 PHE 48 HB3 PHE 48 7.445 -3.302 -2.967 333 HD1 PHE 48 HD1 PHE 48 6.768 -5.069 -1.115 334 HD2 PHE 48 HD2 PHE 48 9.643 -1.974 -0.614 335 HE1 PHE 48 HE1 PHE 48 6.440 -5.166 1.320 336 HE2 PHE 48 HE2 PHE 48 9.326 -2.072 1.823 337 HZ PHE 48 HZ PHE 48 7.723 -3.668 2.793 338 H GLN 49 H GLN 49 7.325 -6.011 -4.383 339 HA GLN 49 HA GLN 49 7.960 -4.751 -6.947 340 HB2 GLN 49 HB2 GLN 49 9.050 -6.801 -7.203 341 HB3 GLN 49 HB3 GLN 49 7.834 -7.676 -6.287 342 HG2 GLN 49 HG2 GLN 49 6.390 -7.812 -8.068 343 HG3 GLN 49 HG3 GLN 49 7.072 -6.405 -8.873 344 HE21 GLN 49 HE21 GLN 49 9.816 -7.308 -8.556 345 HE22 GLN 49 HE22 GLN 49 10.036 -8.603 -9.678 346 H TRP 50 H TRP 50 6.218 -3.757 -7.646 347 HA TRP 50 HA TRP 50 3.618 -4.257 -6.630 348 HB2 TRP 50 HB2 TRP 50 4.633 -2.608 -8.951 349 HB3 TRP 50 HB3 TRP 50 2.916 -2.727 -8.568 350 HD1 TRP 50 HD1 TRP 50 5.957 -0.769 -7.690 351 HE1 TRP 50 HE1 TRP 50 5.456 0.800 -5.698 352 HE3 TRP 50 HE3 TRP 50 1.485 -2.754 -6.225 353 HZ2 TRP 50 HZ2 TRP 50 3.424 1.127 -3.769 354 HZ3 TRP 50 HZ3 TRP 50 0.328 -1.764 -4.298 355 HH2 TRP 50 HH2 TRP 50 1.275 0.139 -3.097 356 H GLY 51 H GLY 51 2.405 -5.922 -7.102 357 HA2 GLY 51 HA3 GLY 51 1.065 -7.157 -8.647 358 HA3 GLY 51 HA2 GLY 51 2.292 -6.893 -9.879 359 H GLY 52 H GLY 52 3.208 -7.857 -6.661 360 HA2 GLY 52 HA3 GLY 52 4.217 -10.370 -7.781 361 HA3 GLY 52 HA2 GLY 52 4.725 -9.636 -6.269 362 H GLN 53 H GLN 53 2.494 -9.292 -4.864 363 HA GLN 53 HA GLN 53 0.879 -10.241 -3.602 364 HB2 GLN 53 HB2 GLN 53 -0.450 -10.950 -5.341 365 HB3 GLN 53 HB3 GLN 53 0.770 -12.047 -5.976 366 HG2 GLN 53 HG2 GLN 53 0.359 -13.499 -3.978 367 HG3 GLN 53 HG3 GLN 53 -0.988 -12.438 -3.570 368 HE21 GLN 53 HE21 GLN 53 -1.656 -12.007 -6.400 369 HE22 GLN 53 HE22 GLN 53 -2.430 -13.460 -6.924 370 H ASN 54 H ASN 54 0.771 -11.542 -1.880 371 HA ASN 54 HA ASN 54 1.381 -12.918 -0.215 372 HB2 ASN 54 HB2 ASN 54 1.299 -14.632 -2.114 373 HB3 ASN 54 HB3 ASN 54 3.056 -14.519 -2.128 374 HD21 ASN 54 HD21 ASN 54 3.303 -16.639 -1.506 375 HD22 ASN 54 HD22 ASN 54 3.018 -17.154 0.128 376 H PHE 55 H PHE 55 2.870 -10.589 -0.763 377 HA PHE 55 HA PHE 55 5.663 -11.138 -0.367 378 HB2 PHE 55 HB2 PHE 55 5.980 -8.824 -0.464 379 HB3 PHE 55 HB3 PHE 55 4.514 -9.013 -1.409 380 HD1 PHE 55 HD1 PHE 55 2.280 -8.591 -0.250 381 HD2 PHE 55 HD2 PHE 55 6.029 -7.416 1.386 382 HE1 PHE 55 HE1 PHE 55 1.139 -6.951 1.184 383 HE2 PHE 55 HE2 PHE 55 4.892 -5.777 2.823 384 HZ PHE 55 HZ PHE 55 2.444 -5.544 2.724 385 H THR 56 H THR 56 2.877 -10.768 1.597 386 HA THR 56 HA THR 56 4.101 -9.973 4.012 387 HB THR 56 HB THR 56 1.946 -10.927 5.013 388 HG1 THR 56 HG1 THR 56 1.395 -12.389 3.349 389 HG21 THR 56 HG21 THR 56 1.944 -8.817 2.860 390 HG22 THR 56 HG22 THR 56 2.152 -8.583 4.598 391 HG23 THR 56 HG23 THR 56 0.590 -9.092 3.954 392 H GLU 57 H GLU 57 3.901 -13.011 2.397 393 HA GLU 57 HA GLU 57 4.282 -14.615 4.733 394 HB2 GLU 57 HB2 GLU 57 4.081 -16.402 3.350 395 HB3 GLU 57 HB3 GLU 57 3.474 -15.201 2.220 396 HG2 GLU 57 HG2 GLU 57 5.290 -15.315 0.903 397 HG3 GLU 57 HG3 GLU 57 6.378 -15.675 2.244 398 H THR 58 H THR 58 6.256 -12.615 2.861 399 HA THR 58 HA THR 58 8.662 -13.785 4.079 400 HB THR 58 HB THR 58 9.932 -13.040 2.086 401 HG1 THR 58 HG1 THR 58 7.873 -12.810 0.365 402 HG21 THR 58 HG21 THR 58 7.598 -14.777 1.307 403 HG22 THR 58 HG22 THR 58 8.975 -15.347 2.257 404 HG23 THR 58 HG23 THR 58 9.216 -14.785 0.600 405 H ALA 59 H ALA 59 6.645 -11.475 4.561 406 HA ALA 59 HA ALA 59 8.703 -9.428 5.018 407 HB1 ALA 59 HB1 ALA 59 5.812 -8.888 4.375 408 HB2 ALA 59 HB2 ALA 59 7.075 -7.690 4.669 409 HB3 ALA 59 HB3 ALA 59 7.156 -8.726 3.242 410 H GLU 60 H GLU 60 8.712 -8.422 6.932 411 HA GLU 60 HA GLU 60 6.701 -9.170 8.937 412 HB2 GLU 60 HB2 GLU 60 9.168 -9.017 10.283 413 HB3 GLU 60 HB3 GLU 60 8.185 -10.450 10.024 414 HG2 GLU 60 HG2 GLU 60 9.350 -10.901 7.942 415 HG3 GLU 60 HG3 GLU 60 10.302 -9.433 8.135 416 H ASP 61 H ASP 61 7.001 -7.765 10.941 417 HA ASP 61 HA ASP 61 6.813 -5.637 11.798 418 HB2 ASP 61 HB2 ASP 61 9.398 -6.118 11.549 419 HB3 ASP 61 HB3 ASP 61 9.297 -4.889 10.302 420 H ILE 62 H ILE 62 5.173 -5.809 9.706 421 HA ILE 62 HA ILE 62 5.765 -3.802 7.729 422 HB ILE 62 HB ILE 62 3.084 -5.127 8.053 423 HG12 ILE 62 HG13 ILE 62 5.648 -6.270 6.929 424 HG13 ILE 62 3HG1 ILE 62 4.596 -6.971 8.151 425 HG21 ILE 62 HG21 ILE 62 3.258 -3.333 6.428 426 HG22 ILE 62 HG22 ILE 62 4.647 -4.118 5.676 427 HG23 ILE 62 HG23 ILE 62 3.058 -4.880 5.606 428 HD11 ILE 62 HD11 ILE 62 4.414 -8.128 6.023 429 HD12 ILE 62 HD12 ILE 62 2.887 -7.364 6.473 430 HD13 ILE 62 HD13 ILE 62 3.915 -6.625 5.244 431 H ARG 63 H ARG 63 5.580 -1.748 8.176 432 HA ARG 63 HA ARG 63 3.200 -0.829 9.644 433 HB2 ARG 63 HB2 ARG 63 4.813 1.157 10.279 434 HB3 ARG 63 HB3 ARG 63 4.776 -0.318 11.236 435 HG2 ARG 63 HG2 ARG 63 6.663 -0.641 9.127 436 HG3 ARG 63 HG3 ARG 63 6.979 0.882 9.964 437 HD2 ARG 63 HD2 ARG 63 8.114 -1.198 10.881 438 HD3 ARG 63 HD3 ARG 63 7.246 -0.189 12.040 439 HE ARG 63 HE ARG 63 6.151 -2.674 10.888 440 HH11 ARG 63 HH12 ARG 63 6.589 -0.474 13.573 441 HH12 ARG 63 HH11 ARG 63 5.766 -1.502 14.714 442 HH21 ARG 63 HH22 ARG 63 5.030 -4.007 12.377 443 HH22 ARG 63 HH21 ARG 63 4.879 -3.512 14.035 444 H PHE 64 H PHE 64 1.983 0.470 8.497 445 HA PHE 64 HA PHE 64 2.980 1.505 5.973 446 HB2 PHE 64 HB2 PHE 64 0.908 0.332 5.819 447 HB3 PHE 64 HB3 PHE 64 0.221 1.242 7.155 448 HD1 PHE 64 HD1 PHE 64 2.096 2.572 4.228 449 HD2 PHE 64 HD2 PHE 64 -1.652 2.196 6.206 450 HE1 PHE 64 HE1 PHE 64 1.106 4.185 2.655 451 HE2 PHE 64 HE2 PHE 64 -2.641 3.792 4.632 452 HZ PHE 64 HZ PHE 64 -1.272 4.787 2.852 453 H HIS 65 H HIS 65 3.403 3.546 5.557 454 HA HIS 65 HA HIS 65 2.552 5.583 7.513 455 HB2 HIS 65 HB2 HIS 65 5.089 4.967 7.313 456 HB3 HIS 65 HB3 HIS 65 5.017 5.911 5.826 457 HD1 HIS 65 HD1 HIS 65 4.189 6.337 9.514 458 HD2 HIS 65 HD2 HIS 65 5.378 8.582 6.219 459 HE1 HIS 65 HE1 HIS 65 4.624 8.653 10.392 460 HE2 HIS 65 HE2 HIS 65 5.338 10.004 8.387 461 HA PRO 66 HA PRO 66 0.253 6.374 3.611 462 HB2 PRO 66 HB2 PRO 66 -1.377 8.173 4.966 463 HB3 PRO 66 HB3 PRO 66 -1.713 6.484 4.655 464 HG2 PRO 66 HG2 PRO 66 -0.678 7.776 7.109 465 HG3 PRO 66 HG3 PRO 66 -1.762 6.379 6.938 466 HD2 PRO 66 HD2 PRO 66 0.828 6.096 7.603 467 HD3 PRO 66 HD3 PRO 66 -0.005 4.907 6.580 468 H LYS 67 H LYS 67 1.460 8.670 5.882 469 HA LYS 67 HA LYS 67 1.876 10.526 3.654 470 HB2 LYS 67 HB2 LYS 67 0.832 11.306 6.375 471 HB3 LYS 67 HB3 LYS 67 1.258 12.428 5.087 472 HG2 LYS 67 HG2 LYS 67 -0.854 12.285 4.423 473 HG3 LYS 67 HG3 LYS 67 -0.475 10.652 3.872 474 HD2 LYS 67 HD2 LYS 67 -2.373 10.405 5.220 475 HD3 LYS 67 HD3 LYS 67 -1.022 9.905 6.242 476 HE2 LYS 67 HE2 LYS 67 -2.596 11.347 7.451 477 HE3 LYS 67 HE3 LYS 67 -1.001 12.087 7.314 478 HZ1 LYS 67 HZ1 LYS 67 -2.863 13.629 6.854 479 HZ2 LYS 67 HZ2 LYS 67 -3.279 12.694 5.506 480 HZ3 LYS 67 HZ3 LYS 67 -1.779 13.491 5.554 481 H GLU 68 H GLU 68 3.985 10.019 3.500 482 HA GLU 68 HA GLU 68 5.859 10.041 5.590 483 HB2 GLU 68 HB2 GLU 68 6.453 8.956 3.567 484 HB3 GLU 68 HB3 GLU 68 6.110 10.389 2.612 485 HG2 GLU 68 HG2 GLU 68 8.036 11.513 3.571 486 HG3 GLU 68 HG3 GLU 68 8.374 10.099 4.574 487 H GLY 69 H GLY 69 6.353 11.673 6.830 488 HA2 GLY 69 HA3 GLY 69 6.767 13.779 7.610 489 HA3 GLY 69 HA2 GLY 69 7.620 13.987 6.090 490 H ALA 70 H ALA 70 7.105 16.115 5.869 491 HA ALA 70 HA ALA 70 4.347 16.992 5.899 492 HB1 ALA 70 HB1 ALA 70 6.871 18.462 5.138 493 HB2 ALA 70 HB2 ALA 70 5.278 19.190 5.344 494 HB3 ALA 70 HB3 ALA 70 6.104 18.470 6.726 495 H ALA 71 H ALA 71 6.125 15.276 3.788 496 HA ALA 71 HA ALA 71 5.362 16.582 1.333 497 HB1 ALA 71 HB1 ALA 71 7.480 15.407 1.436 498 HB2 ALA 71 HB2 ALA 71 6.652 13.899 1.827 499 HB3 ALA 71 HB3 ALA 71 6.425 14.648 0.244 500 H GLU 72 H GLU 72 4.029 14.307 3.493 501 HA GLU 72 HA GLU 72 2.147 13.044 3.527 502 HB2 GLU 72 HB2 GLU 72 1.334 14.956 1.336 503 HB3 GLU 72 HB3 GLU 72 0.239 13.842 2.140 504 HG2 GLU 72 HG2 GLU 72 1.810 15.947 3.593 505 HG3 GLU 72 HG3 GLU 72 0.193 16.212 2.948 506 H GLN 73 H GLN 73 4.224 11.911 2.115 507 HA GLN 73 HA GLN 73 2.980 10.786 -0.295 508 HB2 GLN 73 HB2 GLN 73 5.858 10.714 0.630 509 HB3 GLN 73 HB3 GLN 73 5.255 9.969 -0.846 510 HG2 GLN 73 HG2 GLN 73 4.583 12.155 -1.687 511 HG3 GLN 73 HG3 GLN 73 5.161 12.910 -0.204 512 HE21 GLN 73 HE21 GLN 73 7.505 11.153 -0.042 513 HE22 GLN 73 HE22 GLN 73 8.595 11.718 -1.260 514 HA PRO 74 HA PRO 74 2.159 7.191 2.214 515 HB2 PRO 74 HB2 PRO 74 0.912 5.747 0.287 516 HB3 PRO 74 HB3 PRO 74 0.130 7.083 1.140 517 HG2 PRO 74 HG2 PRO 74 1.425 7.067 -1.559 518 HG3 PRO 74 HG3 PRO 74 -0.108 7.805 -1.059 519 HD2 PRO 74 HD2 PRO 74 2.178 9.236 -1.330 520 HD3 PRO 74 HD3 PRO 74 0.936 9.641 -0.129 521 H ILE 75 H ILE 75 3.876 5.981 2.702 522 HA ILE 75 HA ILE 75 4.898 4.226 0.599 523 HB ILE 75 HB ILE 75 7.164 4.569 1.047 524 HG12 ILE 75 HG13 ILE 75 7.605 6.424 3.007 525 HG13 ILE 75 3HG1 ILE 75 6.241 5.523 3.668 526 HG21 ILE 75 HG21 ILE 75 6.318 6.390 -0.254 527 HG22 ILE 75 HG22 ILE 75 5.843 7.268 1.202 528 HG23 ILE 75 HG23 ILE 75 7.552 7.006 0.845 529 HD11 ILE 75 HD11 ILE 75 8.860 4.352 2.754 530 HD12 ILE 75 HD12 ILE 75 8.347 4.590 4.424 531 HD13 ILE 75 HD13 ILE 75 7.493 3.439 3.393 532 H LEU 76 H LEU 76 5.416 2.190 1.275 533 HA LEU 76 HA LEU 76 4.713 1.570 4.068 534 HB2 LEU 76 HB2 LEU 76 3.116 0.716 2.434 535 HB3 LEU 76 HB3 LEU 76 4.402 -0.074 1.553 536 HG LEU 76 HG LEU 76 2.821 -1.444 3.105 537 HD11 LEU 76 HD11 LEU 76 4.597 -3.067 3.509 538 HD12 LEU 76 HD12 LEU 76 4.707 -2.381 1.888 539 HD13 LEU 76 HD13 LEU 76 5.807 -1.833 3.152 540 HD21 LEU 76 HD21 LEU 76 3.167 -0.063 5.090 541 HD22 LEU 76 HD22 LEU 76 3.642 -1.740 5.356 542 HD23 LEU 76 HD23 LEU 76 4.875 -0.508 5.090 543 H ARG 77 H ARG 77 6.240 0.663 5.309 544 HA ARG 77 HA ARG 77 8.556 -0.530 3.960 545 HB2 ARG 77 HB2 ARG 77 10.080 0.389 5.510 546 HB3 ARG 77 HB3 ARG 77 9.038 1.720 5.038 547 HG2 ARG 77 HG2 ARG 77 8.583 0.131 7.544 548 HG3 ARG 77 HG3 ARG 77 9.653 1.531 7.486 549 HD2 ARG 77 HD2 ARG 77 6.735 1.537 6.740 550 HD3 ARG 77 HD3 ARG 77 7.385 2.079 8.287 551 HE ARG 77 HE ARG 77 7.786 3.400 5.689 552 HH11 ARG 77 HH12 ARG 77 7.958 3.439 9.184 553 HH12 ARG 77 HH11 ARG 77 8.294 5.143 9.271 554 HH21 ARG 77 HH22 ARG 77 8.276 5.648 5.811 555 HH22 ARG 77 HH21 ARG 77 8.484 6.383 7.368 556 H ALA 78 H ALA 78 9.365 -2.369 4.781 557 HA ALA 78 HA ALA 78 8.507 -3.505 7.282 558 HB1 ALA 78 HB1 ALA 78 7.416 -5.473 6.338 559 HB2 ALA 78 HB2 ALA 78 6.556 -4.007 5.871 560 HB3 ALA 78 HB3 ALA 78 7.612 -4.817 4.713 561 H ARG 79 H ARG 79 9.460 -5.781 7.505 562 HA ARG 79 HA ARG 79 12.176 -5.718 6.467 563 HB2 ARG 79 HB2 ARG 79 11.113 -7.991 8.115 564 HB3 ARG 79 HB3 ARG 79 12.735 -7.327 8.070 565 HG2 ARG 79 HG2 ARG 79 10.320 -6.221 9.471 566 HG3 ARG 79 HG3 ARG 79 11.831 -6.797 10.178 567 HD2 ARG 79 HD2 ARG 79 13.010 -4.933 9.043 568 HD3 ARG 79 HD3 ARG 79 11.442 -4.353 8.481 569 HE ARG 79 HE ARG 79 10.842 -3.992 10.821 570 HH11 ARG 79 HH12 ARG 79 14.252 -4.398 10.088 571 HH12 ARG 79 HH11 ARG 79 14.776 -3.432 11.440 572 HH21 ARG 79 HH22 ARG 79 11.520 -2.735 12.566 573 HH22 ARG 79 HH21 ARG 79 13.216 -2.466 12.843 574 H LEU 80 H LEU 80 12.601 -6.612 4.548 575 HA LEU 80 HA LEU 80 10.789 -8.683 3.562 576 HB2 LEU 80 HB2 LEU 80 12.529 -6.647 2.302 577 HB3 LEU 80 HB3 LEU 80 12.341 -8.163 1.441 578 HG LEU 80 HG LEU 80 10.028 -7.853 1.168 579 HD11 LEU 80 HD11 LEU 80 9.421 -7.189 3.381 580 HD12 LEU 80 HD12 LEU 80 10.187 -5.613 3.149 581 HD13 LEU 80 HD13 LEU 80 8.756 -6.045 2.212 582 HD21 LEU 80 HD21 LEU 80 9.830 -5.624 0.132 583 HD22 LEU 80 HD22 LEU 80 11.403 -5.212 0.818 584 HD23 LEU 80 HD23 LEU 80 11.269 -6.517 -0.366 585 H ARG 81 H ARG 81 11.302 -10.685 3.634 586 HA ARG 81 HA ARG 81 13.972 -11.557 4.315 587 HB2 ARG 81 HB2 ARG 81 12.164 -12.608 5.479 588 HB3 ARG 81 HB3 ARG 81 11.328 -12.982 3.980 589 HG2 ARG 81 HG2 ARG 81 14.012 -14.155 4.260 590 HG3 ARG 81 HG3 ARG 81 12.797 -14.755 5.383 591 HD2 ARG 81 HD2 ARG 81 11.301 -15.111 3.379 592 HD3 ARG 81 HD3 ARG 81 12.713 -14.754 2.381 593 HE ARG 81 HE ARG 81 13.596 -16.799 2.882 594 HH11 ARG 81 HH12 ARG 81 10.859 -16.201 4.987 595 HH12 ARG 81 HH11 ARG 81 10.700 -17.869 5.461 596 HH21 ARG 81 HH22 ARG 81 13.400 -18.979 3.514 597 HH22 ARG 81 HH21 ARG 81 12.172 -19.446 4.652 598 H ASP 82 H ASP 82 15.328 -12.776 3.061 599 HA ASP 82 HA ASP 82 14.715 -12.759 0.190 600 HB2 ASP 82 HB2 ASP 82 16.985 -12.649 -0.247 601 HB3 ASP 82 HB3 ASP 82 16.883 -11.755 1.267 602 H CYS 83 H CYS 83 15.849 -14.704 -1.013 603 HA CYS 83 HA CYS 83 14.445 -17.005 -0.272 604 HB2 CYS 83 HB2 CYS 83 16.861 -16.757 -2.072 605 HB3 CYS 83 HB3 CYS 83 15.811 -18.167 -1.983 606 HG CYS 83 HG CYS 83 15.114 -15.089 -3.283 607 H ASN 84 H ASN 84 17.572 -15.895 0.781 608 HA ASN 84 HA ASN 84 18.500 -18.474 1.651 609 HB2 ASN 84 HB2 ASN 84 20.082 -16.671 1.120 610 HB3 ASN 84 HB3 ASN 84 19.432 -15.703 2.437 611 HD21 ASN 84 HD21 ASN 84 21.281 -15.557 3.586 612 HD22 ASN 84 HD22 ASN 84 22.029 -16.911 4.377 613 H GLY 85 H GLY 85 16.565 -15.924 2.996 614 HA2 GLY 85 HA3 GLY 85 14.986 -16.516 4.727 615 HA3 GLY 85 HA2 GLY 85 16.202 -17.588 5.403 616 H GLU 86 H GLU 86 16.666 -14.233 4.349 617 HA GLU 86 HA GLU 86 17.335 -13.597 7.155 618 HB2 GLU 86 HB2 GLU 86 18.867 -11.943 6.406 619 HB3 GLU 86 HB3 GLU 86 19.183 -13.364 5.426 620 HG2 GLU 86 HG2 GLU 86 18.171 -12.411 3.528 621 HG3 GLU 86 HG3 GLU 86 17.416 -11.132 4.480 622 H PHE 87 H PHE 87 17.250 -10.831 6.974 623 HA PHE 87 HA PHE 87 14.658 -10.133 5.877 624 HB2 PHE 87 HB2 PHE 87 13.742 -9.279 7.959 625 HB3 PHE 87 HB3 PHE 87 14.137 -10.979 8.160 626 HD1 PHE 87 HD1 PHE 87 16.409 -11.510 9.284 627 HD2 PHE 87 HD2 PHE 87 14.482 -7.723 9.487 628 HE1 PHE 87 HE1 PHE 87 17.714 -10.956 11.295 629 HE2 PHE 87 HE2 PHE 87 15.784 -7.160 11.496 630 HZ PHE 87 HZ PHE 87 17.404 -8.778 12.403 631 H HIS 88 H HIS 88 14.693 -8.193 5.056 632 HA HIS 88 HA HIS 88 16.569 -6.216 6.110 633 HB2 HIS 88 HB2 HIS 88 16.993 -7.658 3.727 634 HB3 HIS 88 HB3 HIS 88 16.482 -6.047 3.241 635 HD1 HIS 88 HD1 HIS 88 19.349 -7.937 4.569 636 HD2 HIS 88 HD2 HIS 88 18.199 -3.944 4.233 637 HE1 HIS 88 HE1 HIS 88 21.432 -6.583 4.991 638 HE2 HIS 88 HE2 HIS 88 20.689 -4.172 4.901 639 H ASP 89 H ASP 89 15.314 -4.624 6.711 640 HA ASP 89 HA ASP 89 12.703 -4.158 5.859 641 HB2 ASP 89 HB2 ASP 89 12.979 -1.917 6.969 642 HB3 ASP 89 HB3 ASP 89 13.401 -3.298 7.975 643 H ARG 90 H ARG 90 11.932 -3.454 4.052 644 HA ARG 90 HA ARG 90 13.493 -1.479 2.517 645 HB2 ARG 90 HB2 ARG 90 11.655 -3.652 1.494 646 HB3 ARG 90 HB3 ARG 90 12.353 -2.388 0.492 647 HG2 ARG 90 HG2 ARG 90 13.872 -4.485 2.021 648 HG3 ARG 90 HG3 ARG 90 13.616 -4.436 0.275 649 HD2 ARG 90 HD2 ARG 90 14.856 -2.351 0.134 650 HD3 ARG 90 HD3 ARG 90 15.067 -2.339 1.885 651 HE ARG 90 HE ARG 90 16.082 -4.720 0.658 652 HH11 ARG 90 HH12 ARG 90 16.785 -1.378 1.430 653 HH12 ARG 90 HH11 ARG 90 18.507 -1.592 1.380 654 HH21 ARG 90 HH22 ARG 90 18.354 -5.012 0.606 655 HH22 ARG 90 HH21 ARG 90 19.404 -3.652 0.919 656 H ASP 91 H ASP 91 11.890 -0.298 0.943 657 HA ASP 91 HA ASP 91 9.331 0.210 2.228 658 HB2 ASP 91 HB2 ASP 91 9.738 2.696 2.091 659 HB3 ASP 91 HB3 ASP 91 10.663 1.862 3.333 660 H VAL 92 H VAL 92 7.794 1.004 0.820 661 HA VAL 92 HA VAL 92 8.662 1.242 -1.978 662 HB VAL 92 HB VAL 92 7.801 -1.022 -1.553 663 HG11 VAL 92 HG11 VAL 92 6.206 -0.541 0.212 664 HG12 VAL 92 HG12 VAL 92 5.192 0.344 -0.929 665 HG13 VAL 92 HG13 VAL 92 5.428 -1.393 -1.122 666 HG21 VAL 92 HG21 VAL 92 7.642 -0.101 -3.755 667 HG22 VAL 92 HG22 VAL 92 6.225 -1.097 -3.418 668 HG23 VAL 92 HG23 VAL 92 6.101 0.661 -3.361 669 H ASN 93 H ASN 93 7.395 2.489 -3.306 670 HA ASN 93 HA ASN 93 6.026 4.656 -1.970 671 HB2 ASN 93 HB2 ASN 93 7.088 4.125 -4.694 672 HB3 ASN 93 HB3 ASN 93 5.751 5.256 -4.574 673 HD21 ASN 93 HD21 ASN 93 8.177 4.868 -2.071 674 HD22 ASN 93 HD22 ASN 93 8.926 6.406 -2.313 675 H LEU 94 H LEU 94 3.963 4.296 -1.373 676 HA LEU 94 HA LEU 94 2.273 2.520 -2.893 677 HB2 LEU 94 HB2 LEU 94 1.622 4.273 -0.524 678 HB3 LEU 94 HB3 LEU 94 0.535 3.096 -1.232 679 HG LEU 94 HG LEU 94 2.951 2.664 0.464 680 HD11 LEU 94 HD11 LEU 94 1.468 1.055 1.546 681 HD12 LEU 94 HD12 LEU 94 0.755 2.666 1.484 682 HD13 LEU 94 HD13 LEU 94 0.213 1.418 0.362 683 HD21 LEU 94 HD21 LEU 94 3.037 0.315 -0.189 684 HD22 LEU 94 HD22 LEU 94 1.826 0.608 -1.436 685 HD23 LEU 94 HD23 LEU 94 3.416 1.363 -1.556 686 H ASN 95 H ASN 95 3.270 5.474 -3.562 687 HA ASN 95 HA ASN 95 0.943 6.957 -4.144 688 HB2 ASN 95 HB2 ASN 95 3.539 7.118 -5.688 689 HB3 ASN 95 HB3 ASN 95 2.326 8.378 -5.493 690 HD21 ASN 95 HD21 ASN 95 5.039 6.803 -4.146 691 HD22 ASN 95 HD22 ASN 95 5.223 7.804 -2.762 692 H ARG 96 H ARG 96 2.316 4.202 -5.584 693 HA ARG 96 HA ARG 96 1.503 4.542 -8.260 694 HB2 ARG 96 HB2 ARG 96 2.187 2.168 -6.575 695 HB3 ARG 96 HB3 ARG 96 1.488 1.928 -8.168 696 HG2 ARG 96 HG2 ARG 96 3.901 1.780 -8.252 697 HG3 ARG 96 HG3 ARG 96 3.334 3.174 -9.169 698 HD2 ARG 96 HD2 ARG 96 4.072 3.574 -6.321 699 HD3 ARG 96 HD3 ARG 96 5.367 3.329 -7.488 700 HE ARG 96 HE ARG 96 3.363 5.421 -7.940 701 HH11 ARG 96 HH12 ARG 96 6.687 4.436 -7.467 702 HH12 ARG 96 HH11 ARG 96 7.330 6.042 -7.673 703 HH21 ARG 96 HH22 ARG 96 4.188 7.530 -8.218 704 HH22 ARG 96 HH21 ARG 96 5.905 7.810 -8.064 705 H ILE 97 H ILE 97 -0.174 3.720 -5.369 706 HA ILE 97 HA ILE 97 -2.447 2.502 -6.639 707 HB ILE 97 HB ILE 97 -2.176 3.554 -3.823 708 HG12 ILE 97 HG13 ILE 97 -1.904 0.666 -4.553 709 HG13 ILE 97 3HG1 ILE 97 -0.522 1.730 -4.800 710 HG21 ILE 97 HG21 ILE 97 -4.483 3.160 -4.523 711 HG22 ILE 97 HG22 ILE 97 -4.057 1.523 -5.024 712 HG23 ILE 97 HG23 ILE 97 -3.976 1.973 -3.321 713 HD11 ILE 97 HD11 ILE 97 -0.520 2.319 -2.464 714 HD12 ILE 97 HD12 ILE 97 -1.964 1.339 -2.193 715 HD13 ILE 97 HD13 ILE 97 -0.447 0.567 -2.655 716 H GLN 98 H GLN 98 -4.195 3.454 -7.372 717 HA GLN 98 HA GLN 98 -4.674 6.283 -6.725 718 HB2 GLN 98 HB2 GLN 98 -3.797 5.911 -9.053 719 HB3 GLN 98 HB3 GLN 98 -5.222 4.939 -9.377 720 HG2 GLN 98 HG2 GLN 98 -6.640 6.891 -8.945 721 HG3 GLN 98 HG3 GLN 98 -5.194 7.862 -8.670 722 HE21 GLN 98 HE21 GLN 98 -5.685 9.246 -10.366 723 HE22 GLN 98 HE22 GLN 98 -5.517 8.769 -12.026 724 H ASN 99 H ASN 99 -6.995 6.867 -7.060 725 HA ASN 99 HA ASN 99 -8.682 4.644 -6.167 726 HB2 ASN 99 HB2 ASN 99 -8.570 6.373 -4.509 727 HB3 ASN 99 HB3 ASN 99 -8.892 7.621 -5.706 728 HD21 ASN 99 HD21 ASN 99 -10.967 7.981 -6.390 729 HD22 ASN 99 HD22 ASN 99 -12.337 7.283 -5.615 730 H VAL 100 H VAL 100 -10.120 3.902 -7.523 731 HA VAL 100 HA VAL 100 -11.018 5.626 -9.742 732 HB VAL 100 HB VAL 100 -10.943 2.601 -9.634 733 HG11 VAL 100 HG11 VAL 100 -12.750 3.430 -11.040 734 HG12 VAL 100 HG12 VAL 100 -11.612 4.452 -11.917 735 HG13 VAL 100 HG13 VAL 100 -11.480 2.698 -12.018 736 HG21 VAL 100 HG21 VAL 100 -9.166 4.533 -11.119 737 HG22 VAL 100 HG22 VAL 100 -8.699 3.534 -9.744 738 HG23 VAL 100 HG23 VAL 100 -9.129 2.777 -11.278 739 H ASN 101 H ASN 101 -12.843 6.537 -8.935 740 HA ASN 101 HA ASN 101 -15.016 6.753 -8.310 741 HB2 ASN 101 HB2 ASN 101 -15.242 5.121 -10.263 742 HB3 ASN 101 HB3 ASN 101 -15.399 3.857 -9.050 743 HD21 ASN 101 HD21 ASN 101 -16.869 6.708 -10.418 744 HD22 ASN 101 HD22 ASN 101 -18.462 6.422 -9.792 745 H GLY 102 H GLY 102 -12.937 5.490 -6.439 746 HA2 GLY 102 HA3 GLY 102 -13.396 5.467 -4.060 747 HA3 GLY 102 HA2 GLY 102 -14.927 4.690 -4.421 748 H ARG 103 H ARG 103 -12.160 3.564 -6.145 749 HA ARG 103 HA ARG 103 -11.859 1.341 -4.252 750 HB2 ARG 103 HB2 ARG 103 -11.970 -0.298 -5.930 751 HB3 ARG 103 HB3 ARG 103 -13.294 0.796 -6.299 752 HG2 ARG 103 HG2 ARG 103 -11.623 1.914 -7.911 753 HG3 ARG 103 HG3 ARG 103 -10.699 0.420 -7.736 754 HD2 ARG 103 HD2 ARG 103 -12.081 0.156 -9.653 755 HD3 ARG 103 HD3 ARG 103 -12.794 -0.824 -8.371 756 HE ARG 103 HE ARG 103 -13.969 1.723 -8.330 757 HH11 ARG 103 HH12 ARG 103 -13.888 -1.146 -10.341 758 HH12 ARG 103 HH11 ARG 103 -15.465 -0.865 -11.026 759 HH21 ARG 103 HH22 ARG 103 -16.051 2.084 -9.213 760 HH22 ARG 103 HH21 ARG 103 -16.696 0.966 -10.379 761 H LEU 104 H LEU 104 -9.796 0.657 -3.912 762 HA LEU 104 HA LEU 104 -7.681 2.366 -4.896 763 HB2 LEU 104 HB2 LEU 104 -8.062 0.479 -2.680 764 HB3 LEU 104 HB3 LEU 104 -6.456 0.446 -3.377 765 HG LEU 104 HG LEU 104 -6.017 2.677 -2.775 766 HD11 LEU 104 HD11 LEU 104 -8.101 3.684 -3.525 767 HD12 LEU 104 HD12 LEU 104 -8.947 2.987 -2.143 768 HD13 LEU 104 HD13 LEU 104 -7.702 4.211 -1.889 769 HD21 LEU 104 HD21 LEU 104 -6.499 2.741 -0.362 770 HD22 LEU 104 HD22 LEU 104 -7.635 1.409 -0.568 771 HD23 LEU 104 HD23 LEU 104 -5.918 1.162 -0.890 772 H VAL 105 H VAL 105 -6.437 1.943 -6.569 773 HA VAL 105 HA VAL 105 -6.013 -0.857 -7.382 774 HB VAL 105 HB VAL 105 -6.474 1.427 -9.313 775 HG11 VAL 105 HG11 VAL 105 -6.195 -1.537 -9.798 776 HG12 VAL 105 HG12 VAL 105 -6.522 -0.313 -11.025 777 HG13 VAL 105 HG13 VAL 105 -4.984 -0.308 -10.162 778 HG21 VAL 105 HG21 VAL 105 -8.340 -0.819 -8.561 779 HG22 VAL 105 HG22 VAL 105 -8.560 0.893 -8.202 780 HG23 VAL 105 HG23 VAL 105 -8.599 0.330 -9.874 781 H PHE 106 H PHE 106 -3.916 -1.326 -7.623 782 HA PHE 106 HA PHE 106 -1.934 0.742 -7.316 783 HB2 PHE 106 HB2 PHE 106 -0.370 -0.985 -7.022 784 HB3 PHE 106 HB3 PHE 106 -1.854 -1.678 -6.377 785 HD1 PHE 106 HD1 PHE 106 -3.280 -3.046 -8.132 786 HD2 PHE 106 HD2 PHE 106 0.880 -2.226 -8.487 787 HE1 PHE 106 HE1 PHE 106 -3.036 -4.954 -9.666 788 HE2 PHE 106 HE2 PHE 106 1.131 -4.131 -10.020 789 HZ PHE 106 HZ PHE 106 -0.832 -5.497 -10.615 790 H GLN 107 H GLN 107 -0.378 1.370 -8.881 791 HA GLN 107 HA GLN 107 -0.445 0.251 -11.524 792 HB2 GLN 107 HB2 GLN 107 -2.460 1.756 -11.456 793 HB3 GLN 107 HB3 GLN 107 -1.371 3.108 -11.192 794 HG2 GLN 107 HG2 GLN 107 -1.993 3.027 -13.501 795 HG3 GLN 107 HG3 GLN 107 -0.285 2.616 -13.347 796 HE21 GLN 107 HE21 GLN 107 0.385 0.518 -13.784 797 HE22 GLN 107 HE22 GLN 107 -0.622 -0.616 -14.614 Start of MODEL 17 1 H MET 1 H MET 1 -1.841 13.626 -9.088 2 HA MET 1 HA MET 1 0.073 12.429 -8.245 3 HB2 MET 1 HB2 MET 1 -0.800 14.217 -6.878 4 HB3 MET 1 HB3 MET 1 -2.050 13.169 -6.223 5 HG2 MET 1 HG2 MET 1 -0.256 13.551 -4.624 6 HG3 MET 1 HG3 MET 1 -0.384 11.851 -5.064 7 HE1 MET 1 HE1 MET 1 1.994 11.317 -4.060 8 HE2 MET 1 HE2 MET 1 3.434 12.273 -4.410 9 HE3 MET 1 HE3 MET 1 2.084 12.998 -3.537 10 H SER 2 H SER 2 -2.564 11.255 -6.171 11 HA SER 2 HA SER 2 -2.204 8.500 -6.846 12 HB2 SER 2 HB2 SER 2 -1.255 9.335 -4.091 13 HB3 SER 2 HB3 SER 2 -1.240 7.712 -4.777 14 HG SER 2 HG SER 2 0.125 9.098 -6.462 15 H TYR 3 H TYR 3 -3.411 7.120 -5.083 16 HA TYR 3 HA TYR 3 -6.011 8.088 -4.772 17 HB2 TYR 3 HB2 TYR 3 -6.456 6.124 -3.529 18 HB3 TYR 3 HB3 TYR 3 -5.140 5.665 -4.604 19 HD1 TYR 3 HD2 TYR 3 -2.758 5.674 -3.639 20 HD2 TYR 3 HD1 TYR 3 -6.246 5.883 -1.213 21 HE1 TYR 3 HE2 TYR 3 -1.438 4.963 -1.691 22 HE2 TYR 3 HE1 TYR 3 -4.945 5.179 0.745 23 HH TYR 3 HH TYR 3 -2.853 3.934 1.208 24 H ALA 4 H ALA 4 -3.225 8.234 -2.668 25 HA ALA 4 HA ALA 4 -4.351 8.992 -0.259 26 HB1 ALA 4 HB1 ALA 4 -2.159 9.781 0.364 27 HB2 ALA 4 HB2 ALA 4 -2.016 8.286 -0.561 28 HB3 ALA 4 HB3 ALA 4 -1.665 9.834 -1.328 29 H ASP 5 H ASP 5 -3.894 10.869 -3.115 30 HA ASP 5 HA ASP 5 -3.830 13.449 -2.074 31 HB2 ASP 5 HB2 ASP 5 -3.436 13.019 -4.427 32 HB3 ASP 5 HB3 ASP 5 -5.083 12.432 -4.630 33 H SER 6 H SER 6 -6.477 11.222 -2.516 34 HA SER 6 HA SER 6 -8.252 13.140 -1.169 35 HB2 SER 6 HB2 SER 6 -9.041 11.267 -3.416 36 HB3 SER 6 HB3 SER 6 -10.117 12.370 -2.558 37 HG SER 6 HG SER 6 -7.876 13.572 -3.622 38 H SER 7 H SER 7 -6.632 10.971 -0.077 39 HA SER 7 HA SER 7 -8.798 9.218 0.884 40 HB2 SER 7 HB2 SER 7 -7.304 7.383 1.030 41 HB3 SER 7 HB3 SER 7 -6.971 8.117 -0.540 42 HG SER 7 HG SER 7 -5.474 9.212 1.454 43 H ARG 8 H ARG 8 -8.632 8.496 3.067 44 HA ARG 8 HA ARG 8 -6.725 9.781 4.827 45 HB2 ARG 8 HB2 ARG 8 -8.306 10.897 6.207 46 HB3 ARG 8 HB3 ARG 8 -8.663 11.396 4.562 47 HG2 ARG 8 HG2 ARG 8 -10.254 9.164 4.954 48 HG3 ARG 8 HG3 ARG 8 -10.332 10.038 6.485 49 HD2 ARG 8 HD2 ARG 8 -12.093 10.823 5.045 50 HD3 ARG 8 HD3 ARG 8 -10.887 12.098 5.231 51 HE ARG 8 HE ARG 8 -10.954 10.335 2.874 52 HH11 ARG 8 HH12 ARG 8 -10.756 13.519 4.315 53 HH12 ARG 8 HH11 ARG 8 -10.563 14.339 2.791 54 HH21 ARG 8 HH22 ARG 8 -10.695 11.422 0.858 55 HH22 ARG 8 HH21 ARG 8 -10.545 13.153 0.833 56 H ASN 9 H ASN 9 -7.222 9.015 7.150 57 HA ASN 9 HA ASN 9 -7.255 7.249 8.580 58 HB2 ASN 9 HB2 ASN 9 -9.765 6.820 6.978 59 HB3 ASN 9 HB3 ASN 9 -9.323 5.726 8.289 60 HD21 ASN 9 HD21 ASN 9 -9.491 6.420 10.394 61 HD22 ASN 9 HD22 ASN 9 -10.233 7.919 10.842 62 H ALA 10 H ALA 10 -5.698 6.963 6.160 63 HA ALA 10 HA ALA 10 -5.953 4.269 5.237 64 HB1 ALA 10 HB1 ALA 10 -5.017 6.137 3.873 65 HB2 ALA 10 HB2 ALA 10 -3.591 6.116 4.908 66 HB3 ALA 10 HB3 ALA 10 -3.991 4.704 3.928 67 H VAL 11 H VAL 11 -5.449 2.568 6.407 68 HA VAL 11 HA VAL 11 -2.997 2.544 8.018 69 HB VAL 11 HB VAL 11 -5.657 1.580 9.110 70 HG11 VAL 11 HG11 VAL 11 -3.741 0.324 9.936 71 HG12 VAL 11 HG12 VAL 11 -2.958 1.825 10.430 72 HG13 VAL 11 HG13 VAL 11 -4.451 1.309 11.215 73 HG21 VAL 11 HG21 VAL 11 -5.670 4.002 9.040 74 HG22 VAL 11 HG22 VAL 11 -5.511 3.444 10.705 75 HG23 VAL 11 HG23 VAL 11 -4.100 4.056 9.842 76 H LEU 12 H LEU 12 -2.132 0.418 8.302 77 HA LEU 12 HA LEU 12 -3.048 -1.470 6.289 78 HB2 LEU 12 HB2 LEU 12 -0.550 -0.845 7.459 79 HB3 LEU 12 HB3 LEU 12 -0.919 -2.491 7.922 80 HG LEU 12 HG LEU 12 -1.063 -3.197 5.644 81 HD11 LEU 12 HD11 LEU 12 -0.744 -0.292 4.902 82 HD12 LEU 12 HD12 LEU 12 -0.756 -1.649 3.774 83 HD13 LEU 12 HD13 LEU 12 -2.200 -1.269 4.709 84 HD21 LEU 12 HD21 LEU 12 1.298 -1.378 6.070 85 HD22 LEU 12 HD22 LEU 12 1.172 -3.075 6.530 86 HD23 LEU 12 HD23 LEU 12 1.188 -2.622 4.825 87 H THR 13 H THR 13 -3.945 -3.414 6.688 88 HA THR 13 HA THR 13 -4.579 -4.089 9.478 89 HB THR 13 HB THR 13 -6.368 -4.590 7.085 90 HG1 THR 13 HG1 THR 13 -6.215 -2.387 8.871 91 HG21 THR 13 HG21 THR 13 -6.737 -6.049 9.040 92 HG22 THR 13 HG22 THR 13 -8.102 -4.968 8.759 93 HG23 THR 13 HG23 THR 13 -6.954 -4.620 10.052 94 H ASN 14 H ASN 14 -5.064 -6.424 9.765 95 HA ASN 14 HA ASN 14 -4.699 -8.655 9.498 96 HB2 ASN 14 HB2 ASN 14 -5.234 -7.843 6.960 97 HB3 ASN 14 HB3 ASN 14 -3.603 -8.478 6.765 98 HD21 ASN 14 HD21 ASN 14 -5.897 -9.576 5.572 99 HD22 ASN 14 HD22 ASN 14 -6.129 -11.173 6.210 100 H GLY 15 H GLY 15 -2.510 -6.404 9.760 101 HA2 GLY 15 HA3 GLY 15 -0.374 -6.697 10.709 102 HA3 GLY 15 HA2 GLY 15 -0.320 -8.317 10.026 103 H GLY 16 H GLY 16 -1.389 -5.869 7.926 104 HA2 GLY 16 HA3 GLY 16 -0.011 -4.467 6.531 105 HA3 GLY 16 HA2 GLY 16 1.304 -5.606 6.767 106 H ARG 17 H ARG 17 -1.821 -6.919 6.219 107 HA ARG 17 HA ARG 17 -0.936 -7.773 3.558 108 HB2 ARG 17 HB2 ARG 17 -3.304 -8.954 4.965 109 HB3 ARG 17 HB3 ARG 17 -2.245 -9.691 3.774 110 HG2 ARG 17 HG2 ARG 17 -0.441 -9.548 5.605 111 HG3 ARG 17 HG3 ARG 17 -1.793 -9.277 6.700 112 HD2 ARG 17 HD2 ARG 17 -1.230 -11.635 6.637 113 HD3 ARG 17 HD3 ARG 17 -2.828 -11.364 5.943 114 HE ARG 17 HE ARG 17 -0.645 -11.434 4.042 115 HH11 ARG 17 HH12 ARG 17 -3.134 -13.277 5.683 116 HH12 ARG 17 HH11 ARG 17 -3.160 -14.533 4.485 117 HH21 ARG 17 HH22 ARG 17 -0.690 -13.071 2.473 118 HH22 ARG 17 HH21 ARG 17 -1.767 -14.419 2.645 119 H THR 18 H THR 18 -3.224 -5.808 5.176 120 HA THR 18 HA THR 18 -4.708 -5.464 2.656 121 HB THR 18 HB THR 18 -5.919 -5.345 5.426 122 HG1 THR 18 HG1 THR 18 -6.256 -7.357 3.410 123 HG21 THR 18 HG21 THR 18 -7.213 -5.293 2.696 124 HG22 THR 18 HG22 THR 18 -7.030 -3.908 3.774 125 HG23 THR 18 HG23 THR 18 -8.056 -5.264 4.245 126 H LEU 19 H LEU 19 -4.687 -3.448 1.931 127 HA LEU 19 HA LEU 19 -3.889 -1.270 3.701 128 HB2 LEU 19 HB2 LEU 19 -2.682 -1.458 1.628 129 HB3 LEU 19 HB3 LEU 19 -4.171 -1.516 0.710 130 HG LEU 19 HG LEU 19 -4.630 0.825 1.340 131 HD11 LEU 19 HD11 LEU 19 -3.405 0.893 3.443 132 HD12 LEU 19 HD12 LEU 19 -1.881 0.709 2.572 133 HD13 LEU 19 HD13 LEU 19 -2.856 2.163 2.348 134 HD21 LEU 19 HD21 LEU 19 -1.971 0.295 0.026 135 HD22 LEU 19 HD22 LEU 19 -3.549 0.319 -0.761 136 HD23 LEU 19 HD23 LEU 19 -2.881 1.806 -0.085 137 H ARG 20 H ARG 20 -5.591 -0.449 4.795 138 HA ARG 20 HA ARG 20 -8.156 -0.107 3.399 139 HB2 ARG 20 HB2 ARG 20 -7.827 -1.264 5.723 140 HB3 ARG 20 HB3 ARG 20 -7.698 0.374 6.333 141 HG2 ARG 20 HG2 ARG 20 -10.066 -0.709 4.823 142 HG3 ARG 20 HG3 ARG 20 -9.947 -0.612 6.576 143 HD2 ARG 20 HD2 ARG 20 -9.984 1.671 4.613 144 HD3 ARG 20 HD3 ARG 20 -11.226 1.251 5.789 145 HE ARG 20 HE ARG 20 -8.669 2.556 6.327 146 HH11 ARG 20 HH12 ARG 20 -11.641 1.187 7.600 147 HH12 ARG 20 HH11 ARG 20 -11.528 2.049 9.108 148 HH21 ARG 20 HH22 ARG 20 -8.539 3.701 8.285 149 HH22 ARG 20 HH21 ARG 20 -9.772 3.487 9.496 150 H ALA 21 H ALA 21 -8.688 1.863 2.664 151 HA ALA 21 HA ALA 21 -7.844 4.242 4.113 152 HB1 ALA 21 HB1 ALA 21 -5.979 3.863 2.578 153 HB2 ALA 21 HB2 ALA 21 -7.099 3.832 1.216 154 HB3 ALA 21 HB3 ALA 21 -6.878 5.316 2.141 155 H GLU 22 H GLU 22 -9.254 5.952 3.842 156 HA GLU 22 HA GLU 22 -11.655 5.324 2.272 157 HB2 GLU 22 HB2 GLU 22 -11.401 7.634 4.180 158 HB3 GLU 22 HB3 GLU 22 -12.852 6.779 3.674 159 HG2 GLU 22 HG2 GLU 22 -11.608 4.758 4.854 160 HG3 GLU 22 HG3 GLU 22 -10.857 6.084 5.744 161 H CYS 23 H CYS 23 -11.591 6.076 0.276 162 HA CYS 23 HA CYS 23 -10.403 8.731 -0.182 163 HB2 CYS 23 HB2 CYS 23 -10.074 7.809 -2.561 164 HB3 CYS 23 HB3 CYS 23 -9.000 7.218 -1.297 165 HG CYS 23 HG CYS 23 -10.907 5.523 -3.319 166 H ARG 24 H ARG 24 -11.480 10.170 -1.438 167 HA ARG 24 HA ARG 24 -14.302 9.836 -1.648 168 HB2 ARG 24 HB2 ARG 24 -14.092 12.041 -1.361 169 HB3 ARG 24 HB3 ARG 24 -12.389 12.007 -1.791 170 HG2 ARG 24 HG2 ARG 24 -14.478 11.922 -3.924 171 HG3 ARG 24 HG3 ARG 24 -14.048 13.450 -3.153 172 HD2 ARG 24 HD2 ARG 24 -11.876 13.396 -3.964 173 HD3 ARG 24 HD3 ARG 24 -11.913 11.652 -4.225 174 HE ARG 24 HE ARG 24 -13.423 12.079 -6.107 175 HH11 ARG 24 HH12 ARG 24 -11.520 14.762 -4.875 176 HH12 ARG 24 HH11 ARG 24 -11.484 15.610 -6.394 177 HH21 ARG 24 HH22 ARG 24 -13.354 13.184 -8.127 178 HH22 ARG 24 HH21 ARG 24 -12.541 14.717 -8.248 179 H ASN 25 H ASN 25 -15.554 9.626 -3.473 180 HA ASN 25 HA ASN 25 -14.183 8.386 -5.727 181 HB2 ASN 25 HB2 ASN 25 -16.277 7.454 -6.331 182 HB3 ASN 25 HB3 ASN 25 -16.183 7.365 -4.581 183 HD21 ASN 25 HD21 ASN 25 -18.488 7.347 -6.384 184 HD22 ASN 25 HD22 ASN 25 -19.505 8.638 -5.842 185 H ALA 26 H ALA 26 -15.720 8.808 -7.868 186 HA ALA 26 HA ALA 26 -14.912 11.294 -8.829 187 HB1 ALA 26 HB1 ALA 26 -17.148 9.563 -9.868 188 HB2 ALA 26 HB2 ALA 26 -16.296 10.820 -10.764 189 HB3 ALA 26 HB3 ALA 26 -15.438 9.367 -10.248 190 H ASP 27 H ASP 27 -17.783 10.414 -7.080 191 HA ASP 27 HA ASP 27 -19.298 12.748 -7.803 192 HB2 ASP 27 HB2 ASP 27 -20.374 10.627 -7.141 193 HB3 ASP 27 HB3 ASP 27 -19.694 10.795 -5.531 194 H GLY 28 H GLY 28 -16.932 11.956 -5.423 195 HA2 GLY 28 HA3 GLY 28 -15.770 13.708 -4.265 196 HA3 GLY 28 HA2 GLY 28 -17.265 14.637 -4.253 197 H ASN 29 H ASN 29 -17.975 11.476 -3.610 198 HA ASN 29 HA ASN 29 -18.359 12.027 -0.766 199 HB2 ASN 29 HB2 ASN 29 -19.989 10.854 -2.558 200 HB3 ASN 29 HB3 ASN 29 -19.133 9.429 -1.988 201 HD21 ASN 29 HD21 ASN 29 -21.922 10.242 -1.706 202 HD22 ASN 29 HD22 ASN 29 -22.253 10.223 -0.004 203 H TRP 30 H TRP 30 -17.440 10.763 0.867 204 HA TRP 30 HA TRP 30 -14.914 9.560 0.203 205 HB2 TRP 30 HB2 TRP 30 -16.359 9.824 2.843 206 HB3 TRP 30 HB3 TRP 30 -14.738 9.162 2.663 207 HD1 TRP 30 HD1 TRP 30 -14.251 11.618 0.308 208 HE1 TRP 30 HE1 TRP 30 -13.496 13.888 1.256 209 HE3 TRP 30 HE3 TRP 30 -15.648 10.957 5.175 210 HZ2 TRP 30 HZ2 TRP 30 -13.483 15.208 3.746 211 HZ3 TRP 30 HZ3 TRP 30 -15.225 12.772 6.778 212 HH2 TRP 30 HH2 TRP 30 -14.166 14.856 6.080 213 H VAL 31 H VAL 31 -14.502 7.521 -0.182 214 HA VAL 31 HA VAL 31 -16.526 5.501 0.544 215 HB VAL 31 HB VAL 31 -14.613 5.233 -1.764 216 HG11 VAL 31 HG11 VAL 31 -16.258 3.611 -2.570 217 HG12 VAL 31 HG12 VAL 31 -15.639 3.189 -0.974 218 HG13 VAL 31 HG13 VAL 31 -17.242 3.906 -1.135 219 HG21 VAL 31 HG21 VAL 31 -16.444 5.940 -3.264 220 HG22 VAL 31 HG22 VAL 31 -17.376 6.434 -1.849 221 HG23 VAL 31 HG23 VAL 31 -15.852 7.243 -2.228 222 H THR 32 H THR 32 -15.816 3.972 1.895 223 HA THR 32 HA THR 32 -13.064 3.822 2.672 224 HB THR 32 HB THR 32 -15.261 1.848 3.313 225 HG1 THR 32 HG1 THR 32 -14.525 4.034 4.983 226 HG21 THR 32 HG21 THR 32 -12.993 1.113 3.870 227 HG22 THR 32 HG22 THR 32 -13.932 1.431 5.329 228 HG23 THR 32 HG23 THR 32 -12.729 2.600 4.780 229 H SER 33 H SER 33 -11.639 2.982 1.265 230 HA SER 33 HA SER 33 -12.455 0.616 -0.276 231 HB2 SER 33 HB2 SER 33 -10.226 2.549 -0.931 232 HB3 SER 33 HB3 SER 33 -10.872 1.273 -1.963 233 HG SER 33 HG SER 33 -11.842 3.796 -1.462 234 H GLU 34 H GLU 34 -11.175 -1.168 -0.335 235 HA GLU 34 HA GLU 34 -8.780 -1.174 1.363 236 HB2 GLU 34 HB2 GLU 34 -10.606 -3.550 1.170 237 HB3 GLU 34 HB3 GLU 34 -9.424 -3.166 2.415 238 HG2 GLU 34 HG2 GLU 34 -10.852 -1.350 3.200 239 HG3 GLU 34 HG3 GLU 34 -12.034 -1.749 1.963 240 H LEU 35 H LEU 35 -7.046 -2.063 0.462 241 HA LEU 35 HA LEU 35 -7.425 -3.851 -1.845 242 HB2 LEU 35 HB2 LEU 35 -6.545 -1.361 -2.254 243 HB3 LEU 35 HB3 LEU 35 -5.027 -2.077 -1.754 244 HG LEU 35 HG LEU 35 -6.693 -2.757 -4.170 245 HD11 LEU 35 HD11 LEU 35 -5.174 -0.879 -4.391 246 HD12 LEU 35 HD12 LEU 35 -3.833 -1.881 -3.838 247 HD13 LEU 35 HD13 LEU 35 -4.633 -2.244 -5.367 248 HD21 LEU 35 HD21 LEU 35 -4.311 -4.293 -3.133 249 HD22 LEU 35 HD22 LEU 35 -5.976 -4.871 -3.181 250 HD23 LEU 35 HD23 LEU 35 -5.114 -4.542 -4.683 251 H ASP 36 H ASP 36 -6.732 -5.745 -1.271 252 HA ASP 36 HA ASP 36 -5.046 -6.194 0.953 253 HB2 ASP 36 HB2 ASP 36 -6.098 -7.934 -1.265 254 HB3 ASP 36 HB3 ASP 36 -4.983 -8.552 -0.065 255 H LEU 37 H LEU 37 -3.011 -5.595 0.944 256 HA LEU 37 HA LEU 37 -1.401 -5.137 -1.306 257 HB2 LEU 37 HB2 LEU 37 -0.588 -5.820 1.513 258 HB3 LEU 37 HB3 LEU 37 0.467 -5.142 0.279 259 HG LEU 37 HG LEU 37 -1.826 -3.847 1.675 260 HD11 LEU 37 HD11 LEU 37 0.314 -3.866 2.757 261 HD12 LEU 37 HD12 LEU 37 1.055 -3.163 1.320 262 HD13 LEU 37 HD13 LEU 37 -0.121 -2.232 2.250 263 HD21 LEU 37 HD21 LEU 37 -1.556 -1.934 0.197 264 HD22 LEU 37 HD22 LEU 37 -0.361 -2.826 -0.749 265 HD23 LEU 37 HD23 LEU 37 -2.038 -3.369 -0.710 266 H ASP 38 H ASP 38 -1.827 -7.848 0.821 267 HA ASP 38 HA ASP 38 0.252 -9.451 -0.202 268 HB2 ASP 38 HB2 ASP 38 -0.596 -11.212 1.079 269 HB3 ASP 38 HB3 ASP 38 -1.080 -9.781 1.981 270 H THR 39 H THR 39 -2.419 -8.330 -1.782 271 HA THR 39 HA THR 39 -2.584 -10.775 -3.420 272 HB THR 39 HB THR 39 -4.713 -9.603 -2.371 273 HG1 THR 39 HG1 THR 39 -4.304 -11.382 -4.166 274 HG21 THR 39 HG21 THR 39 -5.859 -8.189 -4.003 275 HG22 THR 39 HG22 THR 39 -4.430 -8.210 -5.034 276 HG23 THR 39 HG23 THR 39 -4.364 -7.429 -3.455 277 H ILE 40 H ILE 40 -1.322 -7.630 -3.409 278 HA ILE 40 HA ILE 40 -0.691 -7.906 -6.259 279 HB ILE 40 HB ILE 40 -1.031 -5.402 -6.532 280 HG12 ILE 40 HG13 ILE 40 -3.065 -4.711 -4.973 281 HG13 ILE 40 3HG1 ILE 40 -2.299 -5.843 -3.868 282 HG21 ILE 40 HG21 ILE 40 -3.460 -7.131 -6.115 283 HG22 ILE 40 HG22 ILE 40 -3.396 -5.649 -7.067 284 HG23 ILE 40 HG23 ILE 40 -2.472 -7.063 -7.572 285 HD11 ILE 40 HD11 ILE 40 -0.998 -3.427 -5.093 286 HD12 ILE 40 HD12 ILE 40 -1.605 -3.559 -3.442 287 HD13 ILE 40 HD13 ILE 40 -0.246 -4.553 -3.963 288 H ILE 41 H ILE 41 0.654 -7.906 -3.454 289 HA ILE 41 HA ILE 41 2.948 -6.277 -4.326 290 HB ILE 41 HB ILE 41 1.915 -6.528 -1.503 291 HG12 ILE 41 HG13 ILE 41 1.788 -4.418 -3.592 292 HG13 ILE 41 3HG1 ILE 41 0.625 -4.842 -2.342 293 HG21 ILE 41 HG21 ILE 41 3.746 -5.053 -0.858 294 HG22 ILE 41 HG22 ILE 41 4.333 -6.593 -1.491 295 HG23 ILE 41 HG23 ILE 41 4.395 -5.145 -2.499 296 HD11 ILE 41 HD11 ILE 41 1.552 -2.636 -1.968 297 HD12 ILE 41 HD12 ILE 41 2.010 -3.742 -0.671 298 HD13 ILE 41 HD13 ILE 41 3.178 -3.319 -1.923 299 H GLY 42 H GLY 42 4.857 -7.331 -4.322 300 HA2 GLY 42 HA3 GLY 42 4.973 -9.920 -2.901 301 HA3 GLY 42 HA2 GLY 42 5.504 -9.778 -4.570 302 H ASN 43 H ASN 43 7.102 -10.681 -2.421 303 HA ASN 43 HA ASN 43 9.054 -8.495 -2.184 304 HB2 ASN 43 HB2 ASN 43 8.453 -9.130 0.013 305 HB3 ASN 43 HB3 ASN 43 8.468 -10.842 -0.387 306 HD21 ASN 43 HD21 ASN 43 9.841 -11.295 1.313 307 HD22 ASN 43 HD22 ASN 43 11.533 -10.906 1.270 308 H ASN 44 H ASN 44 10.602 -8.667 -3.637 309 HA ASN 44 HA ASN 44 11.501 -11.358 -4.423 310 HB2 ASN 44 HB2 ASN 44 10.675 -9.884 -6.251 311 HB3 ASN 44 HB3 ASN 44 11.953 -8.734 -5.868 312 HD21 ASN 44 HD21 ASN 44 14.062 -9.202 -6.442 313 HD22 ASN 44 HD22 ASN 44 14.477 -10.498 -7.509 314 H ASP 45 H ASP 45 12.832 -11.669 -2.628 315 HA ASP 45 HA ASP 45 14.746 -11.644 -1.400 316 HB2 ASP 45 HB2 ASP 45 15.869 -10.570 -3.993 317 HB3 ASP 45 HB3 ASP 45 16.850 -11.099 -2.632 318 H GLY 46 H GLY 46 13.262 -9.557 -0.605 319 HA2 GLY 46 HA3 GLY 46 13.638 -7.678 0.708 320 HA3 GLY 46 HA2 GLY 46 15.312 -7.684 0.183 321 H HIS 47 H HIS 47 12.470 -7.649 -1.892 322 HA HIS 47 HA HIS 47 12.802 -4.819 -2.463 323 HB2 HIS 47 HB2 HIS 47 13.270 -6.953 -4.557 324 HB3 HIS 47 HB3 HIS 47 12.907 -5.279 -4.955 325 HD1 HIS 47 HD1 HIS 47 14.735 -3.486 -4.185 326 HD2 HIS 47 HD2 HIS 47 15.896 -7.478 -4.009 327 HE1 HIS 47 HE1 HIS 47 17.243 -3.459 -3.977 328 HE2 HIS 47 HE2 HIS 47 17.905 -5.874 -3.696 329 H PHE 48 H PHE 48 10.816 -3.996 -2.533 330 HA PHE 48 HA PHE 48 8.503 -5.628 -2.680 331 HB2 PHE 48 HB2 PHE 48 8.927 -2.655 -2.789 332 HB3 PHE 48 HB3 PHE 48 7.329 -3.359 -3.031 333 HD1 PHE 48 HD1 PHE 48 6.600 -5.072 -1.167 334 HD2 PHE 48 HD2 PHE 48 9.559 -2.057 -0.675 335 HE1 PHE 48 HE1 PHE 48 6.275 -5.157 1.270 336 HE2 PHE 48 HE2 PHE 48 9.241 -2.137 1.762 337 HZ PHE 48 HZ PHE 48 7.598 -3.689 2.739 338 H GLN 49 H GLN 49 7.261 -6.222 -4.302 339 HA GLN 49 HA GLN 49 7.822 -5.125 -6.964 340 HB2 GLN 49 HB2 GLN 49 8.779 -7.231 -7.132 341 HB3 GLN 49 HB3 GLN 49 7.617 -7.965 -6.036 342 HG2 GLN 49 HG2 GLN 49 5.934 -7.990 -7.712 343 HG3 GLN 49 HG3 GLN 49 6.899 -6.985 -8.786 344 HE21 GLN 49 HE21 GLN 49 8.593 -7.895 -9.913 345 HE22 GLN 49 HE22 GLN 49 8.785 -9.606 -10.083 346 H TRP 50 H TRP 50 6.113 -4.115 -7.705 347 HA TRP 50 HA TRP 50 3.516 -4.450 -6.578 348 HB2 TRP 50 HB2 TRP 50 4.565 -2.912 -8.953 349 HB3 TRP 50 HB3 TRP 50 2.843 -3.001 -8.605 350 HD1 TRP 50 HD1 TRP 50 5.842 -0.990 -7.788 351 HE1 TRP 50 HE1 TRP 50 5.332 0.643 -5.852 352 HE3 TRP 50 HE3 TRP 50 1.402 -2.973 -6.212 353 HZ2 TRP 50 HZ2 TRP 50 3.309 1.021 -3.924 354 HZ3 TRP 50 HZ3 TRP 50 0.247 -1.920 -4.319 355 HH2 TRP 50 HH2 TRP 50 1.177 0.039 -3.199 356 H GLY 51 H GLY 51 2.274 -6.109 -6.951 357 HA2 GLY 51 HA3 GLY 51 0.837 -7.342 -8.413 358 HA3 GLY 51 HA2 GLY 51 2.028 -7.158 -9.693 359 H GLY 52 H GLY 52 3.121 -8.022 -6.534 360 HA2 GLY 52 HA3 GLY 52 4.018 -10.589 -7.581 361 HA3 GLY 52 HA2 GLY 52 4.534 -9.841 -6.078 362 H GLN 53 H GLN 53 2.272 -9.437 -4.705 363 HA GLN 53 HA GLN 53 0.651 -10.354 -3.436 364 HB2 GLN 53 HB2 GLN 53 -0.630 -11.004 -5.272 365 HB3 GLN 53 HB3 GLN 53 0.517 -12.237 -5.763 366 HG2 GLN 53 HG2 GLN 53 -0.175 -13.698 -4.037 367 HG3 GLN 53 HG3 GLN 53 -1.072 -12.417 -3.222 368 HE21 GLN 53 HE21 GLN 53 -1.040 -14.659 -5.877 369 HE22 GLN 53 HE22 GLN 53 -2.721 -14.502 -6.288 370 H ASN 54 H ASN 54 0.519 -11.629 -1.708 371 HA ASN 54 HA ASN 54 1.116 -12.980 -0.022 372 HB2 ASN 54 HB2 ASN 54 1.078 -14.661 -2.099 373 HB3 ASN 54 HB3 ASN 54 2.789 -14.773 -1.699 374 HD21 ASN 54 HD21 ASN 54 0.694 -16.780 -1.464 375 HD22 ASN 54 HD22 ASN 54 0.657 -17.246 0.201 376 H PHE 55 H PHE 55 2.645 -10.724 -0.538 377 HA PHE 55 HA PHE 55 5.439 -11.370 -0.304 378 HB2 PHE 55 HB2 PHE 55 5.848 -9.065 -0.355 379 HB3 PHE 55 HB3 PHE 55 4.374 -9.203 -1.297 380 HD1 PHE 55 HD2 PHE 55 2.162 -8.733 -0.117 381 HD2 PHE 55 HD1 PHE 55 5.955 -7.656 1.486 382 HE1 PHE 55 HE2 PHE 55 1.076 -7.067 1.331 383 HE2 PHE 55 HE1 PHE 55 4.875 -5.994 2.940 384 HZ PHE 55 HZ PHE 55 2.434 -5.695 2.863 385 H THR 56 H THR 56 2.762 -10.827 1.811 386 HA THR 56 HA THR 56 4.146 -10.146 4.155 387 HB THR 56 HB THR 56 2.086 -10.944 5.324 388 HG1 THR 56 HG1 THR 56 1.173 -12.517 4.173 389 HG21 THR 56 HG21 THR 56 1.772 -9.138 2.930 390 HG22 THR 56 HG22 THR 56 2.179 -8.665 4.580 391 HG23 THR 56 HG23 THR 56 0.575 -9.293 4.210 392 H GLU 57 H GLU 57 3.787 -13.176 2.508 393 HA GLU 57 HA GLU 57 4.306 -14.813 4.802 394 HB2 GLU 57 HB2 GLU 57 4.171 -16.625 3.388 395 HB3 GLU 57 HB3 GLU 57 3.253 -15.437 2.473 396 HG2 GLU 57 HG2 GLU 57 4.994 -15.103 0.953 397 HG3 GLU 57 HG3 GLU 57 6.165 -15.905 1.999 398 H THR 58 H THR 58 6.196 -12.785 2.879 399 HA THR 58 HA THR 58 8.649 -14.018 3.923 400 HB THR 58 HB THR 58 9.828 -13.290 1.871 401 HG1 THR 58 HG1 THR 58 7.704 -12.987 0.252 402 HG21 THR 58 HG21 THR 58 8.866 -15.582 2.050 403 HG22 THR 58 HG22 THR 58 8.984 -14.995 0.390 404 HG23 THR 58 HG23 THR 58 7.426 -14.991 1.218 405 H ALA 59 H ALA 59 6.722 -11.714 4.579 406 HA ALA 59 HA ALA 59 8.812 -9.689 4.966 407 HB1 ALA 59 HB1 ALA 59 7.330 -8.947 3.166 408 HB2 ALA 59 HB2 ALA 59 5.942 -9.110 4.243 409 HB3 ALA 59 HB3 ALA 59 7.193 -7.915 4.591 410 H GLU 60 H GLU 60 8.664 -8.472 6.836 411 HA GLU 60 HA GLU 60 6.636 -9.198 8.815 412 HB2 GLU 60 HB2 GLU 60 9.041 -9.112 10.255 413 HB3 GLU 60 HB3 GLU 60 8.045 -10.526 9.940 414 HG2 GLU 60 HG2 GLU 60 9.298 -10.954 7.891 415 HG3 GLU 60 HG3 GLU 60 10.298 -9.538 8.200 416 H ASP 61 H ASP 61 7.054 -7.796 10.864 417 HA ASP 61 HA ASP 61 6.847 -5.656 11.691 418 HB2 ASP 61 HB2 ASP 61 9.459 -6.197 11.300 419 HB3 ASP 61 HB3 ASP 61 9.292 -4.816 10.235 420 H ILE 62 H ILE 62 5.166 -5.762 9.669 421 HA ILE 62 HA ILE 62 5.776 -3.783 7.658 422 HB ILE 62 HB ILE 62 3.082 -5.067 8.019 423 HG12 ILE 62 HG13 ILE 62 5.622 -6.271 6.905 424 HG13 ILE 62 3HG1 ILE 62 4.550 -6.944 8.123 425 HG21 ILE 62 HG21 ILE 62 3.031 -4.848 5.572 426 HG22 ILE 62 HG22 ILE 62 3.272 -3.295 6.371 427 HG23 ILE 62 HG23 ILE 62 4.636 -4.117 5.613 428 HD11 ILE 62 HD11 ILE 62 2.836 -7.297 6.426 429 HD12 ILE 62 HD12 ILE 62 3.919 -6.624 5.204 430 HD13 ILE 62 HD13 ILE 62 4.343 -8.125 6.026 431 H ARG 63 H ARG 63 5.584 -1.732 8.050 432 HA ARG 63 HA ARG 63 3.302 -0.765 9.640 433 HB2 ARG 63 HB2 ARG 63 5.005 1.187 10.166 434 HB3 ARG 63 HB3 ARG 63 4.967 -0.276 11.141 435 HG2 ARG 63 HG2 ARG 63 6.728 -0.711 8.956 436 HG3 ARG 63 HG3 ARG 63 7.140 0.829 9.711 437 HD2 ARG 63 HD2 ARG 63 8.258 -1.274 10.625 438 HD3 ARG 63 HD3 ARG 63 7.536 -0.163 11.791 439 HE ARG 63 HE ARG 63 6.123 -2.579 10.860 440 HH11 ARG 63 HH12 ARG 63 7.384 -0.564 13.425 441 HH12 ARG 63 HH11 ARG 63 6.602 -1.468 14.688 442 HH21 ARG 63 HH22 ARG 63 5.063 -3.767 12.527 443 HH22 ARG 63 HH21 ARG 63 5.291 -3.276 14.186 444 H PHE 64 H PHE 64 2.020 0.482 8.488 445 HA PHE 64 HA PHE 64 2.966 1.561 5.955 446 HB2 PHE 64 HB2 PHE 64 0.899 0.353 5.819 447 HB3 PHE 64 HB3 PHE 64 0.218 1.265 7.159 448 HD1 PHE 64 HD1 PHE 64 2.038 2.468 4.135 449 HD2 PHE 64 HD2 PHE 64 -1.611 2.350 6.316 450 HE1 PHE 64 HE1 PHE 64 1.056 4.103 2.580 451 HE2 PHE 64 HE2 PHE 64 -2.592 3.971 4.762 452 HZ PHE 64 HZ PHE 64 -1.268 4.846 2.886 453 H HIS 65 H HIS 65 3.318 3.619 5.532 454 HA HIS 65 HA HIS 65 2.413 5.621 7.501 455 HB2 HIS 65 HB2 HIS 65 4.978 5.073 7.364 456 HB3 HIS 65 HB3 HIS 65 4.915 6.038 5.890 457 HD1 HIS 65 HD1 HIS 65 5.407 6.353 9.436 458 HD2 HIS 65 HD2 HIS 65 3.756 8.722 6.451 459 HE1 HIS 65 HE1 HIS 65 5.348 8.681 10.378 460 HE2 HIS 65 HE2 HIS 65 4.105 10.037 8.649 461 HA PRO 66 HA PRO 66 0.259 6.479 3.535 462 HB2 PRO 66 HB2 PRO 66 -1.534 8.145 4.829 463 HB3 PRO 66 HB3 PRO 66 -1.751 6.431 4.531 464 HG2 PRO 66 HG2 PRO 66 -0.869 7.813 7.006 465 HG3 PRO 66 HG3 PRO 66 -1.885 6.370 6.823 466 HD2 PRO 66 HD2 PRO 66 0.701 6.227 7.568 467 HD3 PRO 66 HD3 PRO 66 -0.061 4.969 6.570 468 H LYS 67 H LYS 67 1.104 8.798 5.969 469 HA LYS 67 HA LYS 67 1.566 10.766 3.826 470 HB2 LYS 67 HB2 LYS 67 1.263 12.304 6.116 471 HB3 LYS 67 HB3 LYS 67 0.084 12.098 4.832 472 HG2 LYS 67 HG2 LYS 67 0.116 10.065 6.986 473 HG3 LYS 67 HG3 LYS 67 -0.488 11.676 7.386 474 HD2 LYS 67 HD2 LYS 67 -1.466 10.042 5.045 475 HD3 LYS 67 HD3 LYS 67 -2.243 10.054 6.630 476 HE2 LYS 67 HE2 LYS 67 -2.610 12.462 6.435 477 HE3 LYS 67 HE3 LYS 67 -1.814 12.459 4.862 478 HZ1 LYS 67 HZ1 LYS 67 -4.354 12.389 4.931 479 HZ2 LYS 67 HZ2 LYS 67 -4.177 10.756 5.366 480 HZ3 LYS 67 HZ3 LYS 67 -3.560 11.319 3.888 481 H GLU 68 H GLU 68 3.722 10.037 3.665 482 HA GLU 68 HA GLU 68 5.584 10.048 5.761 483 HB2 GLU 68 HB2 GLU 68 6.190 8.962 3.735 484 HB3 GLU 68 HB3 GLU 68 5.902 10.415 2.786 485 HG2 GLU 68 HG2 GLU 68 7.795 11.495 3.950 486 HG3 GLU 68 HG3 GLU 68 8.115 9.967 4.773 487 H GLY 69 H GLY 69 5.974 11.703 7.026 488 HA2 GLY 69 HA3 GLY 69 6.408 13.807 7.803 489 HA3 GLY 69 HA2 GLY 69 7.359 13.969 6.340 490 H ALA 70 H ALA 70 6.948 16.040 5.866 491 HA ALA 70 HA ALA 70 4.243 17.088 5.857 492 HB1 ALA 70 HB1 ALA 70 6.088 18.508 6.608 493 HB2 ALA 70 HB2 ALA 70 6.842 18.378 5.019 494 HB3 ALA 70 HB3 ALA 70 5.290 19.197 5.195 495 H ALA 71 H ALA 71 6.078 15.260 3.831 496 HA ALA 71 HA ALA 71 5.272 16.424 1.316 497 HB1 ALA 71 HB1 ALA 71 6.354 14.449 0.324 498 HB2 ALA 71 HB2 ALA 71 7.409 15.276 1.471 499 HB3 ALA 71 HB3 ALA 71 6.595 13.782 1.941 500 H GLU 72 H GLU 72 4.053 14.236 3.607 501 HA GLU 72 HA GLU 72 2.292 12.834 3.749 502 HB2 GLU 72 HB2 GLU 72 1.181 14.764 1.707 503 HB3 GLU 72 HB3 GLU 72 0.223 13.567 2.569 504 HG2 GLU 72 HG2 GLU 72 0.946 14.643 4.702 505 HG3 GLU 72 HG3 GLU 72 1.689 15.917 3.735 506 H GLN 73 H GLN 73 4.279 11.849 2.177 507 HA GLN 73 HA GLN 73 3.019 10.744 -0.209 508 HB2 GLN 73 HB2 GLN 73 5.303 11.622 -0.409 509 HB3 GLN 73 HB3 GLN 73 5.853 10.483 0.814 510 HG2 GLN 73 HG2 GLN 73 5.274 8.622 -0.634 511 HG3 GLN 73 HG3 GLN 73 4.679 9.744 -1.855 512 HE21 GLN 73 HE21 GLN 73 7.555 10.302 0.082 513 HE22 GLN 73 HE22 GLN 73 8.676 10.146 -1.226 514 HA PRO 74 HA PRO 74 2.038 7.117 2.207 515 HB2 PRO 74 HB2 PRO 74 0.802 5.749 0.229 516 HB3 PRO 74 HB3 PRO 74 0.027 7.080 1.096 517 HG2 PRO 74 HG2 PRO 74 1.376 7.100 -1.581 518 HG3 PRO 74 HG3 PRO 74 -0.150 7.858 -1.093 519 HD2 PRO 74 HD2 PRO 74 2.165 9.247 -1.280 520 HD3 PRO 74 HD3 PRO 74 0.909 9.646 -0.092 521 H ILE 75 H ILE 75 3.800 5.949 2.664 522 HA ILE 75 HA ILE 75 4.803 4.195 0.547 523 HB ILE 75 HB ILE 75 7.068 4.551 0.968 524 HG12 ILE 75 HG13 ILE 75 7.506 6.375 2.971 525 HG13 ILE 75 3HG1 ILE 75 6.178 5.422 3.625 526 HG21 ILE 75 HG21 ILE 75 6.181 6.400 -0.276 527 HG22 ILE 75 HG22 ILE 75 5.751 7.247 1.212 528 HG23 ILE 75 HG23 ILE 75 7.449 6.985 0.803 529 HD11 ILE 75 HD11 ILE 75 7.478 3.377 3.258 530 HD12 ILE 75 HD12 ILE 75 8.814 4.350 2.645 531 HD13 ILE 75 HD13 ILE 75 8.307 4.513 4.327 532 H LEU 76 H LEU 76 5.306 2.163 1.208 533 HA LEU 76 HA LEU 76 4.659 1.557 4.014 534 HB2 LEU 76 HB2 LEU 76 3.017 0.712 2.411 535 HB3 LEU 76 HB3 LEU 76 4.277 -0.110 1.522 536 HG LEU 76 HG LEU 76 2.694 -1.413 3.151 537 HD11 LEU 76 HD11 LEU 76 5.672 -1.877 3.086 538 HD12 LEU 76 HD12 LEU 76 4.447 -3.076 3.500 539 HD13 LEU 76 HD13 LEU 76 4.513 -2.410 1.866 540 HD21 LEU 76 HD21 LEU 76 4.847 -0.453 5.022 541 HD22 LEU 76 HD22 LEU 76 3.132 -0.048 5.111 542 HD23 LEU 76 HD23 LEU 76 3.661 -1.710 5.368 543 H ARG 77 H ARG 77 6.240 0.727 5.216 544 HA ARG 77 HA ARG 77 8.506 -0.520 3.818 545 HB2 ARG 77 HB2 ARG 77 10.070 0.436 5.285 546 HB3 ARG 77 HB3 ARG 77 8.982 1.752 4.887 547 HG2 ARG 77 HG2 ARG 77 8.732 0.129 7.402 548 HG3 ARG 77 HG3 ARG 77 9.707 1.590 7.285 549 HD2 ARG 77 HD2 ARG 77 6.751 1.404 6.755 550 HD3 ARG 77 HD3 ARG 77 7.489 2.031 8.225 551 HE ARG 77 HE ARG 77 7.721 3.283 5.567 552 HH11 ARG 77 HH12 ARG 77 7.660 3.492 9.062 553 HH12 ARG 77 HH11 ARG 77 7.778 5.228 9.089 554 HH21 ARG 77 HH22 ARG 77 7.887 5.562 5.598 555 HH22 ARG 77 HH21 ARG 77 7.890 6.399 7.117 556 H ALA 78 H ALA 78 9.316 -2.377 4.628 557 HA ALA 78 HA ALA 78 8.497 -3.466 7.164 558 HB1 ALA 78 HB1 ALA 78 6.517 -3.974 5.809 559 HB2 ALA 78 HB2 ALA 78 7.537 -4.794 4.628 560 HB3 ALA 78 HB3 ALA 78 7.381 -5.444 6.259 561 H ARG 79 H ARG 79 9.416 -5.761 7.387 562 HA ARG 79 HA ARG 79 12.122 -5.720 6.314 563 HB2 ARG 79 HB2 ARG 79 11.080 -7.951 8.029 564 HB3 ARG 79 HB3 ARG 79 12.699 -7.283 7.949 565 HG2 ARG 79 HG2 ARG 79 10.299 -6.137 9.346 566 HG3 ARG 79 HG3 ARG 79 11.802 -6.717 10.063 567 HD2 ARG 79 HD2 ARG 79 13.011 -4.884 8.938 568 HD3 ARG 79 HD3 ARG 79 11.471 -4.313 8.297 569 HE ARG 79 HE ARG 79 10.840 -4.128 10.770 570 HH11 ARG 79 HH12 ARG 79 14.076 -3.567 9.535 571 HH12 ARG 79 HH11 ARG 79 14.469 -2.410 10.771 572 HH21 ARG 79 HH22 ARG 79 11.352 -2.616 12.358 573 HH22 ARG 79 HH21 ARG 79 12.929 -1.876 12.374 574 H LEU 80 H LEU 80 12.497 -6.644 4.400 575 HA LEU 80 HA LEU 80 10.710 -8.782 3.505 576 HB2 LEU 80 HB2 LEU 80 12.438 -6.773 2.156 577 HB3 LEU 80 HB3 LEU 80 12.181 -8.304 1.344 578 HG LEU 80 HG LEU 80 9.922 -7.913 1.029 579 HD11 LEU 80 HD11 LEU 80 8.631 -6.177 2.155 580 HD12 LEU 80 HD12 LEU 80 9.294 -7.376 3.270 581 HD13 LEU 80 HD13 LEU 80 10.050 -5.787 3.129 582 HD21 LEU 80 HD21 LEU 80 11.179 -6.487 -0.410 583 HD22 LEU 80 HD22 LEU 80 9.724 -5.638 0.112 584 HD23 LEU 80 HD23 LEU 80 11.280 -5.247 0.846 585 H ARG 81 H ARG 81 11.319 -10.804 3.453 586 HA ARG 81 HA ARG 81 13.991 -11.535 4.260 587 HB2 ARG 81 HB2 ARG 81 12.185 -12.767 5.229 588 HB3 ARG 81 HB3 ARG 81 11.497 -13.128 3.654 589 HG2 ARG 81 HG2 ARG 81 14.234 -14.109 4.090 590 HG3 ARG 81 HG3 ARG 81 12.995 -14.843 5.101 591 HD2 ARG 81 HD2 ARG 81 11.671 -15.204 2.964 592 HD3 ARG 81 HD3 ARG 81 13.147 -14.750 2.106 593 HE ARG 81 HE ARG 81 14.068 -16.772 2.616 594 HH11 ARG 81 HH12 ARG 81 11.165 -16.346 4.550 595 HH12 ARG 81 HH11 ARG 81 11.123 -18.007 5.065 596 HH21 ARG 81 HH22 ARG 81 14.001 -18.953 3.287 597 HH22 ARG 81 HH21 ARG 81 12.728 -19.484 4.354 598 H ASP 82 H ASP 82 15.526 -12.598 3.067 599 HA ASP 82 HA ASP 82 15.126 -12.493 0.158 600 HB2 ASP 82 HB2 ASP 82 17.407 -12.192 -0.103 601 HB3 ASP 82 HB3 ASP 82 17.129 -11.379 1.433 602 H CYS 83 H CYS 83 16.498 -14.293 -1.021 603 HA CYS 83 HA CYS 83 15.263 -16.732 -0.488 604 HB2 CYS 83 HB2 CYS 83 16.231 -16.048 -2.668 605 HB3 CYS 83 HB3 CYS 83 17.840 -16.295 -2.006 606 HG CYS 83 HG CYS 83 17.387 -19.073 -1.555 607 H ASN 84 H ASN 84 18.161 -15.408 0.918 608 HA ASN 84 HA ASN 84 19.230 -17.955 1.764 609 HB2 ASN 84 HB2 ASN 84 20.596 -15.852 1.371 610 HB3 ASN 84 HB3 ASN 84 19.925 -15.227 2.870 611 HD21 ASN 84 HD21 ASN 84 22.677 -15.851 2.062 612 HD22 ASN 84 HD22 ASN 84 23.279 -16.951 3.255 613 H GLY 85 H GLY 85 17.035 -15.571 3.015 614 HA2 GLY 85 HA3 GLY 85 15.370 -16.324 4.608 615 HA3 GLY 85 HA2 GLY 85 16.607 -17.326 5.348 616 H GLU 86 H GLU 86 16.863 -13.925 4.386 617 HA GLU 86 HA GLU 86 17.329 -13.294 7.237 618 HB2 GLU 86 HB2 GLU 86 18.766 -11.502 6.579 619 HB3 GLU 86 HB3 GLU 86 19.262 -12.903 5.642 620 HG2 GLU 86 HG2 GLU 86 18.208 -12.063 3.678 621 HG3 GLU 86 HG3 GLU 86 17.422 -10.772 4.585 622 H PHE 87 H PHE 87 17.099 -10.564 7.094 623 HA PHE 87 HA PHE 87 14.519 -9.994 5.892 624 HB2 PHE 87 HB2 PHE 87 13.582 -9.071 7.956 625 HB3 PHE 87 HB3 PHE 87 13.961 -10.773 8.169 626 HD1 PHE 87 HD1 PHE 87 16.177 -11.338 9.353 627 HD2 PHE 87 HD2 PHE 87 14.357 -7.491 9.454 628 HE1 PHE 87 HE1 PHE 87 17.466 -10.785 11.373 629 HE2 PHE 87 HE2 PHE 87 15.649 -6.930 11.472 630 HZ PHE 87 HZ PHE 87 17.206 -8.577 12.434 631 H HIS 88 H HIS 88 14.558 -8.075 4.987 632 HA HIS 88 HA HIS 88 16.472 -6.065 5.956 633 HB2 HIS 88 HB2 HIS 88 16.871 -7.543 3.652 634 HB3 HIS 88 HB3 HIS 88 16.095 -6.085 3.045 635 HD1 HIS 88 HD1 HIS 88 19.308 -7.420 4.073 636 HD2 HIS 88 HD2 HIS 88 17.553 -3.654 3.812 637 HE1 HIS 88 HE1 HIS 88 21.215 -5.773 4.102 638 HE2 HIS 88 HE2 HIS 88 20.118 -3.499 4.098 639 H ASP 89 H ASP 89 15.299 -4.358 6.535 640 HA ASP 89 HA ASP 89 12.604 -4.040 5.737 641 HB2 ASP 89 HB2 ASP 89 12.724 -1.843 6.902 642 HB3 ASP 89 HB3 ASP 89 13.261 -3.198 7.883 643 H ARG 90 H ARG 90 11.917 -3.464 3.845 644 HA ARG 90 HA ARG 90 13.450 -1.439 2.340 645 HB2 ARG 90 HB2 ARG 90 11.561 -3.583 1.345 646 HB3 ARG 90 HB3 ARG 90 12.330 -2.370 0.330 647 HG2 ARG 90 HG2 ARG 90 13.740 -4.478 1.939 648 HG3 ARG 90 HG3 ARG 90 13.474 -4.502 0.195 649 HD2 ARG 90 HD2 ARG 90 14.784 -2.414 0.009 650 HD3 ARG 90 HD3 ARG 90 15.110 -2.492 1.741 651 HE ARG 90 HE ARG 90 15.850 -4.872 0.302 652 HH11 ARG 90 HH12 ARG 90 16.906 -1.695 1.346 653 HH12 ARG 90 HH11 ARG 90 18.598 -2.078 1.211 654 HH21 ARG 90 HH22 ARG 90 18.066 -5.381 0.127 655 HH22 ARG 90 HH21 ARG 90 19.261 -4.173 0.524 656 H ASP 91 H ASP 91 11.748 -0.426 0.657 657 HA ASP 91 HA ASP 91 9.279 0.222 2.047 658 HB2 ASP 91 HB2 ASP 91 9.633 2.644 1.721 659 HB3 ASP 91 HB3 ASP 91 10.825 1.953 2.816 660 H VAL 92 H VAL 92 7.687 0.979 0.679 661 HA VAL 92 HA VAL 92 8.368 0.980 -2.166 662 HB VAL 92 HB VAL 92 7.450 -1.227 -1.586 663 HG11 VAL 92 HG11 VAL 92 4.938 0.269 -0.888 664 HG12 VAL 92 HG12 VAL 92 5.091 -1.483 -1.017 665 HG13 VAL 92 HG13 VAL 92 5.972 -0.610 0.238 666 HG21 VAL 92 HG21 VAL 92 5.799 -1.321 -3.372 667 HG22 VAL 92 HG22 VAL 92 5.720 0.442 -3.370 668 HG23 VAL 92 HG23 VAL 92 7.220 -0.372 -3.808 669 H ASN 93 H ASN 93 7.268 2.365 -3.387 670 HA ASN 93 HA ASN 93 5.940 4.506 -1.965 671 HB2 ASN 93 HB2 ASN 93 6.949 4.139 -4.774 672 HB3 ASN 93 HB3 ASN 93 5.895 5.484 -4.371 673 HD21 ASN 93 HD21 ASN 93 7.497 7.008 -4.789 674 HD22 ASN 93 HD22 ASN 93 8.841 7.246 -3.716 675 H LEU 94 H LEU 94 3.899 4.153 -1.439 676 HA LEU 94 HA LEU 94 2.169 2.480 -2.981 677 HB2 LEU 94 HB2 LEU 94 1.574 4.297 -0.649 678 HB3 LEU 94 HB3 LEU 94 0.420 3.188 -1.363 679 HG LEU 94 HG LEU 94 2.764 2.633 0.393 680 HD11 LEU 94 HD11 LEU 94 0.510 2.723 1.305 681 HD12 LEU 94 HD12 LEU 94 -0.005 1.471 0.174 682 HD13 LEU 94 HD13 LEU 94 1.182 1.096 1.423 683 HD21 LEU 94 HD21 LEU 94 2.798 0.292 -0.264 684 HD22 LEU 94 HD22 LEU 94 1.625 0.617 -1.541 685 HD23 LEU 94 HD23 LEU 94 3.239 1.321 -1.627 686 H ASN 95 H ASN 95 3.210 5.495 -3.595 687 HA ASN 95 HA ASN 95 0.922 6.942 -4.312 688 HB2 ASN 95 HB2 ASN 95 3.563 7.030 -5.789 689 HB3 ASN 95 HB3 ASN 95 2.340 8.294 -5.725 690 HD21 ASN 95 HD21 ASN 95 5.066 6.945 -4.295 691 HD22 ASN 95 HD22 ASN 95 5.178 7.975 -2.923 692 H ARG 96 H ARG 96 2.322 4.158 -5.632 693 HA ARG 96 HA ARG 96 1.525 4.325 -8.330 694 HB2 ARG 96 HB2 ARG 96 2.196 2.085 -6.453 695 HB3 ARG 96 HB3 ARG 96 1.513 1.715 -8.025 696 HG2 ARG 96 HG2 ARG 96 3.991 1.588 -7.911 697 HG3 ARG 96 HG3 ARG 96 3.368 2.664 -9.157 698 HD2 ARG 96 HD2 ARG 96 4.109 3.756 -6.473 699 HD3 ARG 96 HD3 ARG 96 5.366 3.413 -7.666 700 HE ARG 96 HE ARG 96 3.092 5.155 -8.312 701 HH11 ARG 96 HH12 ARG 96 6.545 4.633 -8.062 702 HH12 ARG 96 HH11 ARG 96 6.944 6.110 -8.888 703 HH21 ARG 96 HH22 ARG 96 3.631 7.115 -9.370 704 HH22 ARG 96 HH21 ARG 96 5.306 7.512 -9.621 705 H ILE 97 H ILE 97 -0.180 3.687 -5.403 706 HA ILE 97 HA ILE 97 -2.447 2.437 -6.665 707 HB ILE 97 HB ILE 97 -2.153 3.525 -3.863 708 HG12 ILE 97 HG13 ILE 97 -2.044 0.619 -4.526 709 HG13 ILE 97 3HG1 ILE 97 -0.611 1.593 -4.847 710 HG21 ILE 97 HG21 ILE 97 -4.144 1.581 -5.032 711 HG22 ILE 97 HG22 ILE 97 -4.024 2.029 -3.330 712 HG23 ILE 97 HG23 ILE 97 -4.484 3.237 -4.531 713 HD11 ILE 97 HD11 ILE 97 -1.996 1.351 -2.191 714 HD12 ILE 97 HD12 ILE 97 -0.522 0.508 -2.671 715 HD13 ILE 97 HD13 ILE 97 -0.524 2.266 -2.532 716 H GLN 98 H GLN 98 -4.117 3.421 -7.518 717 HA GLN 98 HA GLN 98 -4.527 6.293 -7.019 718 HB2 GLN 98 HB2 GLN 98 -5.035 4.642 -9.489 719 HB3 GLN 98 HB3 GLN 98 -5.549 6.304 -9.305 720 HG2 GLN 98 HG2 GLN 98 -2.681 5.439 -9.125 721 HG3 GLN 98 HG3 GLN 98 -3.451 5.934 -10.629 722 HE21 GLN 98 HE21 GLN 98 -5.100 7.953 -9.296 723 HE22 GLN 98 HE22 GLN 98 -4.030 9.265 -8.942 724 H ASN 99 H ASN 99 -6.793 6.979 -7.285 725 HA ASN 99 HA ASN 99 -8.643 4.905 -6.303 726 HB2 ASN 99 HB2 ASN 99 -8.530 6.617 -4.683 727 HB3 ASN 99 HB3 ASN 99 -8.514 7.893 -5.895 728 HD21 ASN 99 HD21 ASN 99 -10.413 8.684 -6.667 729 HD22 ASN 99 HD22 ASN 99 -11.957 8.206 -6.052 730 H VAL 100 H VAL 100 -10.107 4.209 -7.697 731 HA VAL 100 HA VAL 100 -10.877 5.970 -9.925 732 HB VAL 100 HB VAL 100 -10.949 2.949 -9.872 733 HG11 VAL 100 HG11 VAL 100 -12.658 3.928 -11.310 734 HG12 VAL 100 HG12 VAL 100 -11.431 4.893 -12.129 735 HG13 VAL 100 HG13 VAL 100 -11.407 3.134 -12.268 736 HG21 VAL 100 HG21 VAL 100 -9.017 4.813 -11.244 737 HG22 VAL 100 HG22 VAL 100 -8.658 3.755 -9.880 738 HG23 VAL 100 HG23 VAL 100 -9.074 3.061 -11.448 739 H ASN 101 H ASN 101 -12.619 6.958 -8.992 740 HA ASN 101 HA ASN 101 -14.760 7.267 -8.332 741 HB2 ASN 101 HB2 ASN 101 -14.993 5.719 -10.434 742 HB3 ASN 101 HB3 ASN 101 -15.491 4.517 -9.246 743 HD21 ASN 101 HD21 ASN 101 -17.103 5.587 -11.331 744 HD22 ASN 101 HD22 ASN 101 -18.421 6.438 -10.593 745 H GLY 102 H GLY 102 -12.841 5.902 -6.530 746 HA2 GLY 102 HA3 GLY 102 -13.332 5.659 -4.191 747 HA3 GLY 102 HA2 GLY 102 -14.883 4.965 -4.629 748 H ARG 103 H ARG 103 -11.980 3.933 -6.254 749 HA ARG 103 HA ARG 103 -11.885 1.550 -4.553 750 HB2 ARG 103 HB2 ARG 103 -11.880 0.055 -6.373 751 HB3 ARG 103 HB3 ARG 103 -13.185 1.182 -6.708 752 HG2 ARG 103 HG2 ARG 103 -11.634 2.422 -8.210 753 HG3 ARG 103 HG3 ARG 103 -10.461 1.124 -7.976 754 HD2 ARG 103 HD2 ARG 103 -11.700 0.763 -10.024 755 HD3 ARG 103 HD3 ARG 103 -12.095 -0.487 -8.846 756 HE ARG 103 HE ARG 103 -14.003 1.454 -8.493 757 HH11 ARG 103 HH12 ARG 103 -12.911 -0.522 -11.174 758 HH12 ARG 103 HH11 ARG 103 -14.477 -0.571 -11.936 759 HH21 ARG 103 HH22 ARG 103 -16.040 1.420 -9.488 760 HH22 ARG 103 HH21 ARG 103 -16.262 0.563 -10.986 761 H LEU 104 H LEU 104 -9.862 0.830 -4.086 762 HA LEU 104 HA LEU 104 -7.629 2.476 -4.927 763 HB2 LEU 104 HB2 LEU 104 -7.766 0.114 -3.029 764 HB3 LEU 104 HB3 LEU 104 -6.341 1.098 -3.310 765 HG LEU 104 HG LEU 104 -8.925 1.990 -2.041 766 HD11 LEU 104 HD11 LEU 104 -7.523 2.332 -0.065 767 HD12 LEU 104 HD12 LEU 104 -7.520 0.647 -0.587 768 HD13 LEU 104 HD13 LEU 104 -6.137 1.683 -0.941 769 HD21 LEU 104 HD21 LEU 104 -6.437 3.579 -2.646 770 HD22 LEU 104 HD22 LEU 104 -8.010 3.773 -3.420 771 HD23 LEU 104 HD23 LEU 104 -7.818 4.144 -1.706 772 H VAL 105 H VAL 105 -6.368 2.013 -6.590 773 HA VAL 105 HA VAL 105 -6.050 -0.800 -7.405 774 HB VAL 105 HB VAL 105 -6.343 1.493 -9.356 775 HG11 VAL 105 HG11 VAL 105 -4.958 -0.339 -10.155 776 HG12 VAL 105 HG12 VAL 105 -6.239 -1.492 -9.772 777 HG13 VAL 105 HG13 VAL 105 -6.487 -0.284 -11.033 778 HG21 VAL 105 HG21 VAL 105 -8.368 -0.613 -8.595 779 HG22 VAL 105 HG22 VAL 105 -8.484 1.119 -8.274 780 HG23 VAL 105 HG23 VAL 105 -8.529 0.522 -9.934 781 H PHE 106 H PHE 106 -3.976 -1.372 -7.629 782 HA PHE 106 HA PHE 106 -1.893 0.585 -7.267 783 HB2 PHE 106 HB2 PHE 106 -0.429 -1.239 -6.988 784 HB3 PHE 106 HB3 PHE 106 -1.955 -1.822 -6.332 785 HD1 PHE 106 HD1 PHE 106 -3.493 -3.039 -8.158 786 HD2 PHE 106 HD2 PHE 106 0.739 -2.634 -8.366 787 HE1 PHE 106 HE1 PHE 106 -3.385 -4.970 -9.681 788 HE2 PHE 106 HE2 PHE 106 0.854 -4.561 -9.888 789 HZ PHE 106 HZ PHE 106 -1.209 -5.731 -10.551 790 H GLN 107 H GLN 107 -0.278 1.152 -8.802 791 HA GLN 107 HA GLN 107 -0.569 0.092 -11.501 792 HB2 GLN 107 HB2 GLN 107 -2.065 2.146 -11.150 793 HB3 GLN 107 HB3 GLN 107 -0.573 3.070 -11.070 794 HG2 GLN 107 HG2 GLN 107 0.019 2.362 -13.305 795 HG3 GLN 107 HG3 GLN 107 -1.426 1.355 -13.387 796 HE21 GLN 107 HE21 GLN 107 -3.461 2.358 -13.476 797 HE22 GLN 107 HE22 GLN 107 -3.630 3.992 -14.026 Start of MODEL 18 1 H MET 1 H MET 1 -2.807 12.873 -7.881 2 HA MET 1 HA MET 1 0.123 12.618 -7.551 3 HB2 MET 1 HB2 MET 1 -0.828 14.309 -6.083 4 HB3 MET 1 HB3 MET 1 -2.098 13.202 -5.581 5 HG2 MET 1 HG2 MET 1 -0.403 13.396 -3.870 6 HG3 MET 1 HG3 MET 1 -0.433 11.762 -4.527 7 HE1 MET 1 HE1 MET 1 1.955 12.836 -2.754 8 HE2 MET 1 HE2 MET 1 1.930 11.220 -3.464 9 HE3 MET 1 HE3 MET 1 3.349 12.249 -3.662 10 H SER 2 H SER 2 -2.864 11.371 -6.059 11 HA SER 2 HA SER 2 -2.747 8.741 -6.898 12 HB2 SER 2 HB2 SER 2 -1.805 7.621 -4.855 13 HB3 SER 2 HB3 SER 2 -0.597 8.488 -5.794 14 HG SER 2 HG SER 2 -0.167 9.453 -3.985 15 H TYR 3 H TYR 3 -3.858 7.258 -5.063 16 HA TYR 3 HA TYR 3 -6.348 8.364 -4.488 17 HB2 TYR 3 HB2 TYR 3 -6.788 6.408 -3.216 18 HB3 TYR 3 HB3 TYR 3 -5.624 5.892 -4.431 19 HD1 TYR 3 HD2 TYR 3 -3.120 5.922 -3.699 20 HD2 TYR 3 HD1 TYR 3 -6.386 5.963 -0.979 21 HE1 TYR 3 HE2 TYR 3 -1.627 5.139 -1.912 22 HE2 TYR 3 HE1 TYR 3 -4.913 5.180 0.820 23 HH TYR 3 HH TYR 3 -2.753 3.910 1.005 24 H ALA 4 H ALA 4 -3.349 8.472 -2.744 25 HA ALA 4 HA ALA 4 -4.216 9.177 -0.180 26 HB1 ALA 4 HB1 ALA 4 -1.951 8.422 -0.687 27 HB2 ALA 4 HB2 ALA 4 -1.642 9.933 -1.543 28 HB3 ALA 4 HB3 ALA 4 -1.950 9.951 0.193 29 H ASP 5 H ASP 5 -4.098 11.061 -3.064 30 HA ASP 5 HA ASP 5 -3.793 13.635 -2.006 31 HB2 ASP 5 HB2 ASP 5 -3.703 13.232 -4.401 32 HB3 ASP 5 HB3 ASP 5 -5.389 12.725 -4.411 33 H SER 6 H SER 6 -6.535 11.492 -2.080 34 HA SER 6 HA SER 6 -8.006 13.402 -0.417 35 HB2 SER 6 HB2 SER 6 -9.205 11.938 -2.777 36 HB3 SER 6 HB3 SER 6 -10.082 12.980 -1.657 37 HG SER 6 HG SER 6 -7.891 14.206 -2.732 38 H SER 7 H SER 7 -6.548 11.129 0.390 39 HA SER 7 HA SER 7 -8.708 9.261 1.114 40 HB2 SER 7 HB2 SER 7 -7.010 7.548 1.401 41 HB3 SER 7 HB3 SER 7 -6.805 8.278 -0.194 42 HG SER 7 HG SER 7 -4.817 8.063 0.916 43 H ARG 8 H ARG 8 -8.642 8.393 3.273 44 HA ARG 8 HA ARG 8 -7.045 9.813 5.243 45 HB2 ARG 8 HB2 ARG 8 -8.745 10.911 6.315 46 HB3 ARG 8 HB3 ARG 8 -9.388 10.963 4.681 47 HG2 ARG 8 HG2 ARG 8 -10.378 8.589 5.597 48 HG3 ARG 8 HG3 ARG 8 -10.383 9.585 7.057 49 HD2 ARG 8 HD2 ARG 8 -12.444 10.073 6.174 50 HD3 ARG 8 HD3 ARG 8 -11.464 11.362 5.473 51 HE ARG 8 HE ARG 8 -11.372 10.021 3.425 52 HH11 ARG 8 HH12 ARG 8 -13.859 9.320 5.783 53 HH12 ARG 8 HH11 ARG 8 -14.856 8.448 4.653 54 HH21 ARG 8 HH22 ARG 8 -12.703 8.879 1.934 55 HH22 ARG 8 HH21 ARG 8 -14.196 8.189 2.482 56 H ASN 9 H ASN 9 -7.373 8.855 7.413 57 HA ASN 9 HA ASN 9 -7.181 7.034 8.750 58 HB2 ASN 9 HB2 ASN 9 -9.771 6.468 7.309 59 HB3 ASN 9 HB3 ASN 9 -9.197 5.485 8.654 60 HD21 ASN 9 HD21 ASN 9 -11.575 7.176 8.363 61 HD22 ASN 9 HD22 ASN 9 -11.503 8.302 9.685 62 H ALA 10 H ALA 10 -5.704 6.866 6.330 63 HA ALA 10 HA ALA 10 -5.977 4.227 5.241 64 HB1 ALA 10 HB1 ALA 10 -5.053 6.286 4.055 65 HB2 ALA 10 HB2 ALA 10 -3.565 6.002 4.956 66 HB3 ALA 10 HB3 ALA 10 -4.170 4.777 3.837 67 H VAL 11 H VAL 11 -5.468 2.486 6.356 68 HA VAL 11 HA VAL 11 -2.974 2.412 7.892 69 HB VAL 11 HB VAL 11 -5.553 1.365 9.090 70 HG11 VAL 11 HG11 VAL 11 -2.830 1.831 10.292 71 HG12 VAL 11 HG12 VAL 11 -4.253 1.250 11.156 72 HG13 VAL 11 HG13 VAL 11 -3.537 0.271 9.877 73 HG21 VAL 11 HG21 VAL 11 -5.492 3.270 10.650 74 HG22 VAL 11 HG22 VAL 11 -4.170 3.973 9.719 75 HG23 VAL 11 HG23 VAL 11 -5.761 3.779 8.984 76 H LEU 12 H LEU 12 -2.235 0.230 8.274 77 HA LEU 12 HA LEU 12 -3.107 -1.587 6.182 78 HB2 LEU 12 HB2 LEU 12 -0.643 -1.004 7.453 79 HB3 LEU 12 HB3 LEU 12 -1.028 -2.677 7.811 80 HG LEU 12 HG LEU 12 -1.062 -3.274 5.517 81 HD11 LEU 12 HD11 LEU 12 -0.768 -1.576 3.727 82 HD12 LEU 12 HD12 LEU 12 -2.293 -1.426 4.599 83 HD13 LEU 12 HD13 LEU 12 -0.967 -0.315 4.942 84 HD21 LEU 12 HD21 LEU 12 1.168 -3.017 6.474 85 HD22 LEU 12 HD22 LEU 12 1.161 -2.616 4.757 86 HD23 LEU 12 HD23 LEU 12 1.200 -1.328 5.962 87 H THR 13 H THR 13 -3.775 -3.726 6.573 88 HA THR 13 HA THR 13 -4.567 -4.336 9.335 89 HB THR 13 HB THR 13 -6.297 -4.957 6.942 90 HG1 THR 13 HG1 THR 13 -5.973 -2.550 8.317 91 HG21 THR 13 HG21 THR 13 -6.914 -4.689 9.887 92 HG22 THR 13 HG22 THR 13 -6.719 -6.207 9.011 93 HG23 THR 13 HG23 THR 13 -8.061 -5.130 8.623 94 H ASN 14 H ASN 14 -4.999 -6.629 9.677 95 HA ASN 14 HA ASN 14 -4.619 -8.862 9.496 96 HB2 ASN 14 HB2 ASN 14 -5.184 -8.137 6.921 97 HB3 ASN 14 HB3 ASN 14 -3.577 -8.843 6.746 98 HD21 ASN 14 HD21 ASN 14 -6.176 -9.826 5.817 99 HD22 ASN 14 HD22 ASN 14 -6.359 -11.410 6.500 100 H GLY 15 H GLY 15 -2.456 -6.627 9.717 101 HA2 GLY 15 HA3 GLY 15 -0.316 -6.947 10.683 102 HA3 GLY 15 HA2 GLY 15 -0.239 -8.533 9.928 103 H GLY 16 H GLY 16 -1.337 -5.950 7.993 104 HA2 GLY 16 HA3 GLY 16 -0.066 -4.510 6.577 105 HA3 GLY 16 HA2 GLY 16 1.330 -5.543 6.834 106 H ARG 17 H ARG 17 -1.748 -6.964 6.171 107 HA ARG 17 HA ARG 17 -0.726 -7.824 3.555 108 HB2 ARG 17 HB2 ARG 17 -3.051 -9.102 4.966 109 HB3 ARG 17 HB3 ARG 17 -1.975 -9.799 3.762 110 HG2 ARG 17 HG2 ARG 17 -0.153 -9.609 5.550 111 HG3 ARG 17 HG3 ARG 17 -1.475 -9.316 6.675 112 HD2 ARG 17 HD2 ARG 17 -0.823 -11.682 6.617 113 HD3 ARG 17 HD3 ARG 17 -2.491 -11.431 6.106 114 HE ARG 17 HE ARG 17 -0.769 -11.455 3.858 115 HH11 ARG 17 HH12 ARG 17 -2.169 -13.592 6.248 116 HH12 ARG 17 HH11 ARG 17 -2.192 -14.978 5.191 117 HH21 ARG 17 HH22 ARG 17 -0.801 -13.269 2.455 118 HH22 ARG 17 HH21 ARG 17 -1.381 -14.798 3.035 119 H THR 18 H THR 18 -3.138 -5.962 5.100 120 HA THR 18 HA THR 18 -4.527 -5.666 2.524 121 HB THR 18 HB THR 18 -5.832 -5.757 5.252 122 HG1 THR 18 HG1 THR 18 -6.393 -7.538 3.118 123 HG21 THR 18 HG21 THR 18 -6.950 -4.180 3.756 124 HG22 THR 18 HG22 THR 18 -7.944 -5.610 4.041 125 HG23 THR 18 HG23 THR 18 -7.071 -5.434 2.519 126 H LEU 19 H LEU 19 -4.569 -3.665 1.832 127 HA LEU 19 HA LEU 19 -3.850 -1.479 3.612 128 HB2 LEU 19 HB2 LEU 19 -2.623 -1.599 1.565 129 HB3 LEU 19 HB3 LEU 19 -4.092 -1.747 0.624 130 HG LEU 19 HG LEU 19 -4.682 0.576 1.195 131 HD11 LEU 19 HD11 LEU 19 -2.984 2.026 2.218 132 HD12 LEU 19 HD12 LEU 19 -3.544 0.777 3.328 133 HD13 LEU 19 HD13 LEU 19 -1.980 0.610 2.532 134 HD21 LEU 19 HD21 LEU 19 -2.954 1.624 -0.195 135 HD22 LEU 19 HD22 LEU 19 -1.955 0.180 -0.020 136 HD23 LEU 19 HD23 LEU 19 -3.502 0.083 -0.858 137 H ARG 20 H ARG 20 -5.530 -0.663 4.692 138 HA ARG 20 HA ARG 20 -8.108 -0.346 3.320 139 HB2 ARG 20 HB2 ARG 20 -7.713 -1.458 5.681 140 HB3 ARG 20 HB3 ARG 20 -7.660 0.206 6.236 141 HG2 ARG 20 HG2 ARG 20 -9.960 -1.057 4.761 142 HG3 ARG 20 HG3 ARG 20 -9.869 -0.835 6.506 143 HD2 ARG 20 HD2 ARG 20 -9.920 1.326 4.406 144 HD3 ARG 20 HD3 ARG 20 -11.219 0.907 5.521 145 HE ARG 20 HE ARG 20 -8.659 2.149 6.288 146 HH11 ARG 20 HH12 ARG 20 -12.023 1.424 6.925 147 HH12 ARG 20 HH11 ARG 20 -12.134 2.528 8.267 148 HH21 ARG 20 HH22 ARG 20 -8.796 3.580 8.059 149 HH22 ARG 20 HH21 ARG 20 -10.297 3.728 8.932 150 H ALA 21 H ALA 21 -8.629 1.624 2.559 151 HA ALA 21 HA ALA 21 -7.732 4.007 3.984 152 HB1 ALA 21 HB1 ALA 21 -5.939 3.607 2.375 153 HB2 ALA 21 HB2 ALA 21 -7.115 3.570 1.064 154 HB3 ALA 21 HB3 ALA 21 -6.845 5.062 1.964 155 H GLU 22 H GLU 22 -9.157 5.678 3.832 156 HA GLU 22 HA GLU 22 -11.579 5.149 2.252 157 HB2 GLU 22 HB2 GLU 22 -11.374 7.265 4.366 158 HB3 GLU 22 HB3 GLU 22 -12.779 6.342 3.850 159 HG2 GLU 22 HG2 GLU 22 -11.546 4.312 4.840 160 HG3 GLU 22 HG3 GLU 22 -10.540 5.514 5.653 161 H CYS 23 H CYS 23 -11.580 6.148 0.336 162 HA CYS 23 HA CYS 23 -10.476 8.876 0.176 163 HB2 CYS 23 HB2 CYS 23 -9.038 7.139 -0.915 164 HB3 CYS 23 HB3 CYS 23 -10.372 6.785 -2.006 165 HG CYS 23 HG CYS 23 -8.021 9.004 -2.329 166 H ARG 24 H ARG 24 -11.552 10.328 -1.146 167 HA ARG 24 HA ARG 24 -14.365 9.891 -1.466 168 HB2 ARG 24 HB2 ARG 24 -14.408 12.121 -1.317 169 HB3 ARG 24 HB3 ARG 24 -12.653 12.131 -1.250 170 HG2 ARG 24 HG2 ARG 24 -14.138 12.119 -3.858 171 HG3 ARG 24 HG3 ARG 24 -13.786 13.610 -2.983 172 HD2 ARG 24 HD2 ARG 24 -11.556 13.493 -3.409 173 HD3 ARG 24 HD3 ARG 24 -11.542 11.729 -3.426 174 HE ARG 24 HE ARG 24 -12.792 12.057 -5.658 175 HH11 ARG 24 HH12 ARG 24 -10.295 14.171 -4.394 176 HH12 ARG 24 HH11 ARG 24 -9.704 14.641 -5.957 177 HH21 ARG 24 HH22 ARG 24 -11.979 12.648 -7.750 178 HH22 ARG 24 HH21 ARG 24 -10.643 13.759 -7.860 179 H ASN 25 H ASN 25 -15.530 9.754 -3.392 180 HA ASN 25 HA ASN 25 -14.057 8.548 -5.563 181 HB2 ASN 25 HB2 ASN 25 -16.251 8.044 -6.526 182 HB3 ASN 25 HB3 ASN 25 -16.134 7.537 -4.855 183 HD21 ASN 25 HD21 ASN 25 -18.410 7.440 -4.851 184 HD22 ASN 25 HD22 ASN 25 -19.355 8.882 -4.662 185 H ALA 26 H ALA 26 -15.383 9.173 -7.809 186 HA ALA 26 HA ALA 26 -14.199 11.577 -8.614 187 HB1 ALA 26 HB1 ALA 26 -15.374 11.264 -10.711 188 HB2 ALA 26 HB2 ALA 26 -14.719 9.732 -10.132 189 HB3 ALA 26 HB3 ALA 26 -16.440 10.077 -9.957 190 H ASP 27 H ASP 27 -17.439 10.893 -7.434 191 HA ASP 27 HA ASP 27 -18.549 13.417 -8.224 192 HB2 ASP 27 HB2 ASP 27 -19.866 11.302 -7.782 193 HB3 ASP 27 HB3 ASP 27 -19.579 11.569 -6.068 194 H GLY 28 H GLY 28 -16.727 12.257 -5.549 195 HA2 GLY 28 HA3 GLY 28 -15.557 13.869 -4.182 196 HA3 GLY 28 HA2 GLY 28 -16.980 14.900 -4.271 197 H ASN 29 H ASN 29 -17.866 11.686 -3.911 198 HA ASN 29 HA ASN 29 -18.662 12.168 -1.152 199 HB2 ASN 29 HB2 ASN 29 -20.091 10.992 -2.984 200 HB3 ASN 29 HB3 ASN 29 -19.082 9.597 -2.634 201 HD21 ASN 29 HD21 ASN 29 -20.767 8.375 -1.828 202 HD22 ASN 29 HD22 ASN 29 -21.497 8.719 -0.295 203 H TRP 30 H TRP 30 -17.989 10.943 0.581 204 HA TRP 30 HA TRP 30 -15.329 9.893 0.390 205 HB2 TRP 30 HB2 TRP 30 -17.254 10.318 2.657 206 HB3 TRP 30 HB3 TRP 30 -15.763 9.412 2.895 207 HD1 TRP 30 HD1 TRP 30 -14.907 11.941 0.460 208 HE1 TRP 30 HE1 TRP 30 -13.798 13.984 1.558 209 HE3 TRP 30 HE3 TRP 30 -16.176 11.019 5.323 210 HZ2 TRP 30 HZ2 TRP 30 -13.501 15.059 4.153 211 HZ3 TRP 30 HZ3 TRP 30 -15.438 12.602 7.054 212 HH2 TRP 30 HH2 TRP 30 -14.127 14.581 6.480 213 H VAL 31 H VAL 31 -14.851 7.912 -0.156 214 HA VAL 31 HA VAL 31 -16.752 5.742 0.455 215 HB VAL 31 HB VAL 31 -14.746 5.628 -1.781 216 HG11 VAL 31 HG11 VAL 31 -17.373 4.219 -1.348 217 HG12 VAL 31 HG12 VAL 31 -16.279 3.974 -2.711 218 HG13 VAL 31 HG13 VAL 31 -15.769 3.535 -1.080 219 HG21 VAL 31 HG21 VAL 31 -16.502 6.335 -3.352 220 HG22 VAL 31 HG22 VAL 31 -17.545 6.726 -1.983 221 HG23 VAL 31 HG23 VAL 31 -16.041 7.618 -2.229 222 H THR 32 H THR 32 -15.791 3.722 1.045 223 HA THR 32 HA THR 32 -13.014 3.970 1.980 224 HB THR 32 HB THR 32 -15.209 2.224 3.120 225 HG1 THR 32 HG1 THR 32 -14.273 4.088 4.827 226 HG21 THR 32 HG21 THR 32 -13.635 1.858 4.968 227 HG22 THR 32 HG22 THR 32 -12.421 2.821 4.127 228 HG23 THR 32 HG23 THR 32 -12.963 1.290 3.439 229 H SER 33 H SER 33 -11.588 2.683 0.966 230 HA SER 33 HA SER 33 -12.625 0.239 -0.307 231 HB2 SER 33 HB2 SER 33 -12.011 2.160 -1.902 232 HB3 SER 33 HB3 SER 33 -10.339 1.846 -1.440 233 HG SER 33 HG SER 33 -12.135 -0.057 -2.558 234 H GLU 34 H GLU 34 -11.211 -1.513 -0.399 235 HA GLU 34 HA GLU 34 -8.798 -1.343 1.254 236 HB2 GLU 34 HB2 GLU 34 -10.672 -3.698 1.366 237 HB3 GLU 34 HB3 GLU 34 -9.366 -3.285 2.471 238 HG2 GLU 34 HG2 GLU 34 -10.689 -1.269 3.124 239 HG3 GLU 34 HG3 GLU 34 -12.018 -1.911 2.171 240 H LEU 35 H LEU 35 -7.085 -2.299 0.364 241 HA LEU 35 HA LEU 35 -7.537 -4.260 -1.784 242 HB2 LEU 35 HB2 LEU 35 -6.869 -2.354 -2.985 243 HB3 LEU 35 HB3 LEU 35 -5.690 -1.891 -1.773 244 HG LEU 35 HG LEU 35 -4.234 -3.735 -2.436 245 HD11 LEU 35 HD11 LEU 35 -5.923 -5.358 -3.110 246 HD12 LEU 35 HD12 LEU 35 -6.323 -4.371 -4.518 247 HD13 LEU 35 HD13 LEU 35 -4.728 -5.119 -4.383 248 HD21 LEU 35 HD21 LEU 35 -3.970 -1.607 -3.563 249 HD22 LEU 35 HD22 LEU 35 -3.640 -2.938 -4.673 250 HD23 LEU 35 HD23 LEU 35 -5.174 -2.073 -4.766 251 H ASP 36 H ASP 36 -6.705 -6.110 -1.328 252 HA ASP 36 HA ASP 36 -5.010 -6.552 0.880 253 HB2 ASP 36 HB2 ASP 36 -5.847 -8.305 -1.434 254 HB3 ASP 36 HB3 ASP 36 -4.923 -8.875 -0.060 255 H LEU 37 H LEU 37 -2.999 -5.836 0.861 256 HA LEU 37 HA LEU 37 -1.417 -5.318 -1.409 257 HB2 LEU 37 HB2 LEU 37 -0.554 -5.932 1.414 258 HB3 LEU 37 HB3 LEU 37 0.430 -5.158 0.175 259 HG LEU 37 HG LEU 37 -2.136 -4.002 1.166 260 HD11 LEU 37 HD11 LEU 37 0.640 -3.417 2.101 261 HD12 LEU 37 HD12 LEU 37 -0.859 -2.684 2.684 262 HD13 LEU 37 HD13 LEU 37 -0.544 -4.399 2.970 263 HD21 LEU 37 HD21 LEU 37 -1.328 -3.197 -1.001 264 HD22 LEU 37 HD22 LEU 37 -1.261 -1.941 0.239 265 HD23 LEU 37 HD23 LEU 37 0.214 -2.776 -0.254 266 H ASP 38 H ASP 38 -1.695 -7.990 0.816 267 HA ASP 38 HA ASP 38 0.434 -9.524 -0.209 268 HB2 ASP 38 HB2 ASP 38 -0.341 -11.320 1.096 269 HB3 ASP 38 HB3 ASP 38 -0.772 -9.879 2.010 270 H THR 39 H THR 39 -2.355 -8.592 -1.748 271 HA THR 39 HA THR 39 -2.415 -11.086 -3.312 272 HB THR 39 HB THR 39 -4.549 -9.897 -2.214 273 HG1 THR 39 HG1 THR 39 -4.475 -11.930 -3.305 274 HG21 THR 39 HG21 THR 39 -4.390 -7.863 -3.547 275 HG22 THR 39 HG22 THR 39 -5.844 -8.767 -3.973 276 HG23 THR 39 HG23 THR 39 -4.433 -8.815 -5.031 277 H ILE 40 H ILE 40 -1.257 -7.916 -3.430 278 HA ILE 40 HA ILE 40 -0.735 -8.229 -6.295 279 HB ILE 40 HB ILE 40 -1.183 -5.765 -6.639 280 HG12 ILE 40 HG13 ILE 40 -3.139 -5.065 -4.981 281 HG13 ILE 40 3HG1 ILE 40 -2.256 -6.118 -3.884 282 HG21 ILE 40 HG21 ILE 40 -2.643 -7.475 -7.541 283 HG22 ILE 40 HG22 ILE 40 -3.523 -7.553 -6.017 284 HG23 ILE 40 HG23 ILE 40 -3.584 -6.089 -6.996 285 HD11 ILE 40 HD11 ILE 40 -1.144 -3.713 -5.303 286 HD12 ILE 40 HD12 ILE 40 -1.608 -3.806 -3.603 287 HD13 ILE 40 HD13 ILE 40 -0.255 -4.767 -4.201 288 H ILE 41 H ILE 41 0.666 -8.067 -3.499 289 HA ILE 41 HA ILE 41 2.893 -6.393 -4.465 290 HB ILE 41 HB ILE 41 1.889 -6.614 -1.628 291 HG12 ILE 41 HG13 ILE 41 1.728 -4.544 -3.752 292 HG13 ILE 41 3HG1 ILE 41 0.572 -4.967 -2.496 293 HG21 ILE 41 HG21 ILE 41 4.318 -6.633 -1.645 294 HG22 ILE 41 HG22 ILE 41 4.331 -5.175 -2.639 295 HG23 ILE 41 HG23 ILE 41 3.691 -5.116 -0.996 296 HD11 ILE 41 HD11 ILE 41 1.924 -3.812 -0.841 297 HD12 ILE 41 HD12 ILE 41 3.103 -3.399 -2.087 298 HD13 ILE 41 HD13 ILE 41 1.471 -2.734 -2.164 299 H GLY 42 H GLY 42 4.835 -7.409 -4.473 300 HA2 GLY 42 HA3 GLY 42 4.997 -9.967 -2.997 301 HA3 GLY 42 HA2 GLY 42 5.553 -9.830 -4.657 302 H ASN 43 H ASN 43 7.114 -10.698 -2.482 303 HA ASN 43 HA ASN 43 9.033 -8.490 -2.225 304 HB2 ASN 43 HB2 ASN 43 8.381 -9.129 -0.034 305 HB3 ASN 43 HB3 ASN 43 8.475 -10.840 -0.418 306 HD21 ASN 43 HD21 ASN 43 9.833 -11.227 1.311 307 HD22 ASN 43 HD22 ASN 43 11.507 -10.766 1.296 308 H ASN 44 H ASN 44 10.497 -8.662 -3.741 309 HA ASN 44 HA ASN 44 11.413 -11.310 -4.598 310 HB2 ASN 44 HB2 ASN 44 10.753 -9.596 -6.313 311 HB3 ASN 44 HB3 ASN 44 12.102 -8.602 -5.772 312 HD21 ASN 44 HD21 ASN 44 14.213 -9.245 -6.250 313 HD22 ASN 44 HD22 ASN 44 14.555 -10.452 -7.443 314 H ASP 45 H ASP 45 12.484 -11.643 -2.563 315 HA ASP 45 HA ASP 45 14.251 -11.671 -1.135 316 HB2 ASP 45 HB2 ASP 45 15.705 -11.107 -3.719 317 HB3 ASP 45 HB3 ASP 45 16.492 -11.602 -2.224 318 H GLY 46 H GLY 46 13.181 -9.509 -0.416 319 HA2 GLY 46 HA3 GLY 46 13.760 -7.586 0.748 320 HA3 GLY 46 HA2 GLY 46 15.395 -7.746 0.124 321 H HIS 47 H HIS 47 12.504 -7.642 -1.868 322 HA HIS 47 HA HIS 47 12.860 -4.840 -2.506 323 HB2 HIS 47 HB2 HIS 47 14.558 -5.862 -3.934 324 HB3 HIS 47 HB3 HIS 47 13.374 -6.989 -4.579 325 HD1 HIS 47 HD1 HIS 47 12.843 -6.344 -6.894 326 HD2 HIS 47 HD2 HIS 47 13.362 -3.013 -4.463 327 HE1 HIS 47 HE1 HIS 47 12.391 -4.359 -8.366 328 HE2 HIS 47 HE2 HIS 47 12.829 -2.346 -6.910 329 H PHE 48 H PHE 48 10.832 -4.119 -2.474 330 HA PHE 48 HA PHE 48 8.537 -5.701 -2.736 331 HB2 PHE 48 HB2 PHE 48 8.969 -2.730 -2.911 332 HB3 PHE 48 HB3 PHE 48 7.377 -3.439 -3.155 333 HD1 PHE 48 HD2 PHE 48 6.702 -5.174 -1.246 334 HD2 PHE 48 HD1 PHE 48 9.485 -1.988 -0.813 335 HE1 PHE 48 HE2 PHE 48 6.342 -5.201 1.187 336 HE2 PHE 48 HE1 PHE 48 9.132 -2.008 1.623 337 HZ PHE 48 HZ PHE 48 7.559 -3.616 2.626 338 H GLN 49 H GLN 49 7.165 -6.135 -4.364 339 HA GLN 49 HA GLN 49 7.802 -5.119 -7.038 340 HB2 GLN 49 HB2 GLN 49 8.759 -7.255 -7.147 341 HB3 GLN 49 HB3 GLN 49 7.507 -7.969 -6.140 342 HG2 GLN 49 HG2 GLN 49 5.929 -7.915 -7.907 343 HG3 GLN 49 HG3 GLN 49 6.975 -6.913 -8.905 344 HE21 GLN 49 HE21 GLN 49 5.762 -9.489 -9.495 345 HE22 GLN 49 HE22 GLN 49 7.065 -10.570 -9.865 346 H TRP 50 H TRP 50 6.073 -4.083 -7.771 347 HA TRP 50 HA TRP 50 3.473 -4.493 -6.683 348 HB2 TRP 50 HB2 TRP 50 4.507 -2.900 -9.029 349 HB3 TRP 50 HB3 TRP 50 2.785 -3.018 -8.682 350 HD1 TRP 50 HD1 TRP 50 5.755 -0.969 -7.845 351 HE1 TRP 50 HE1 TRP 50 5.210 0.642 -5.900 352 HE3 TRP 50 HE3 TRP 50 1.349 -3.040 -6.289 353 HZ2 TRP 50 HZ2 TRP 50 3.196 0.970 -3.966 354 HZ3 TRP 50 HZ3 TRP 50 0.175 -2.022 -4.384 355 HH2 TRP 50 HH2 TRP 50 1.076 -0.057 -3.250 356 H GLY 51 H GLY 51 2.279 -6.187 -7.090 357 HA2 GLY 51 HA3 GLY 51 0.921 -7.472 -8.577 358 HA3 GLY 51 HA2 GLY 51 2.118 -7.219 -9.841 359 H GLY 52 H GLY 52 3.045 -8.116 -6.603 360 HA2 GLY 52 HA3 GLY 52 4.113 -10.618 -7.688 361 HA3 GLY 52 HA2 GLY 52 4.611 -9.850 -6.190 362 H GLN 53 H GLN 53 2.361 -9.551 -4.779 363 HA GLN 53 HA GLN 53 0.809 -10.537 -3.473 364 HB2 GLN 53 HB2 GLN 53 -0.508 -11.261 -5.239 365 HB3 GLN 53 HB3 GLN 53 0.698 -12.399 -5.815 366 HG2 GLN 53 HG2 GLN 53 0.220 -13.896 -3.986 367 HG3 GLN 53 HG3 GLN 53 -0.872 -12.714 -3.266 368 HE21 GLN 53 HE21 GLN 53 -1.349 -15.468 -4.160 369 HE22 GLN 53 HE22 GLN 53 -2.650 -15.375 -5.299 370 H ASN 54 H ASN 54 0.801 -11.821 -1.719 371 HA ASN 54 HA ASN 54 1.521 -13.205 -0.094 372 HB2 ASN 54 HB2 ASN 54 2.701 -14.617 -2.464 373 HB3 ASN 54 HB3 ASN 54 3.099 -15.143 -0.831 374 HD21 ASN 54 HD21 ASN 54 2.081 -17.124 -1.281 375 HD22 ASN 54 HD22 ASN 54 0.357 -17.264 -1.233 376 H PHE 55 H PHE 55 2.885 -10.779 -0.664 377 HA PHE 55 HA PHE 55 5.706 -11.232 -0.332 378 HB2 PHE 55 HB2 PHE 55 5.974 -8.922 -0.454 379 HB3 PHE 55 HB3 PHE 55 4.502 -9.155 -1.383 380 HD1 PHE 55 HD2 PHE 55 2.281 -8.715 -0.245 381 HD2 PHE 55 HD1 PHE 55 6.017 -7.517 1.411 382 HE1 PHE 55 HE2 PHE 55 1.125 -7.074 1.176 383 HE2 PHE 55 HE1 PHE 55 4.864 -5.876 2.833 384 HZ PHE 55 HZ PHE 55 2.415 -5.651 2.717 385 H THR 56 H THR 56 2.948 -10.701 1.691 386 HA THR 56 HA THR 56 4.207 -9.950 4.077 387 HB THR 56 HB THR 56 2.106 -10.847 5.150 388 HG1 THR 56 HG1 THR 56 1.192 -12.337 3.924 389 HG21 THR 56 HG21 THR 56 0.644 -9.168 4.039 390 HG22 THR 56 HG22 THR 56 1.883 -8.968 2.802 391 HG23 THR 56 HG23 THR 56 2.231 -8.541 4.477 392 H GLU 57 H GLU 57 3.838 -13.054 2.547 393 HA GLU 57 HA GLU 57 4.296 -14.635 4.868 394 HB2 GLU 57 HB2 GLU 57 4.353 -16.476 3.431 395 HB3 GLU 57 HB3 GLU 57 3.307 -15.339 2.591 396 HG2 GLU 57 HG2 GLU 57 5.180 -14.677 1.179 397 HG3 GLU 57 HG3 GLU 57 6.205 -15.841 2.013 398 H THR 58 H THR 58 6.267 -12.657 2.985 399 HA THR 58 HA THR 58 8.700 -13.859 4.128 400 HB THR 58 HB THR 58 9.915 -13.118 2.112 401 HG1 THR 58 HG1 THR 58 7.519 -11.893 1.610 402 HG21 THR 58 HG21 THR 58 9.089 -14.803 0.577 403 HG22 THR 58 HG22 THR 58 7.536 -14.835 1.415 404 HG23 THR 58 HG23 THR 58 8.991 -15.413 2.230 405 H ALA 59 H ALA 59 6.725 -11.516 4.663 406 HA ALA 59 HA ALA 59 8.819 -9.506 5.086 407 HB1 ALA 59 HB1 ALA 59 5.979 -8.893 4.291 408 HB2 ALA 59 HB2 ALA 59 7.266 -7.728 4.601 409 HB3 ALA 59 HB3 ALA 59 7.377 -8.816 3.217 410 H GLU 60 H GLU 60 8.714 -8.344 6.944 411 HA GLU 60 HA GLU 60 6.598 -8.978 8.872 412 HB2 GLU 60 HB2 GLU 60 8.982 -8.791 10.355 413 HB3 GLU 60 HB3 GLU 60 7.985 -10.219 10.116 414 HG2 GLU 60 HG2 GLU 60 9.268 -10.786 8.119 415 HG3 GLU 60 HG3 GLU 60 10.268 -9.350 8.344 416 H ASP 61 H ASP 61 6.935 -7.488 10.876 417 HA ASP 61 HA ASP 61 6.728 -5.332 11.635 418 HB2 ASP 61 HB2 ASP 61 9.343 -5.816 11.263 419 HB3 ASP 61 HB3 ASP 61 9.143 -4.527 10.096 420 H ILE 62 H ILE 62 5.094 -5.690 9.511 421 HA ILE 62 HA ILE 62 5.631 -3.707 7.483 422 HB ILE 62 HB ILE 62 3.010 -5.141 7.831 423 HG12 ILE 62 HG13 ILE 62 5.624 -6.194 6.742 424 HG13 ILE 62 3HG1 ILE 62 4.597 -6.915 7.970 425 HG21 ILE 62 HG21 ILE 62 3.115 -3.371 6.158 426 HG22 ILE 62 HG22 ILE 62 4.525 -4.133 5.420 427 HG23 ILE 62 HG23 ILE 62 2.962 -4.947 5.381 428 HD11 ILE 62 HD11 ILE 62 3.986 -6.692 5.039 429 HD12 ILE 62 HD12 ILE 62 4.419 -8.155 5.925 430 HD13 ILE 62 HD13 ILE 62 2.887 -7.342 6.258 431 H ARG 63 H ARG 63 5.427 -1.664 8.000 432 HA ARG 63 HA ARG 63 2.991 -0.794 9.403 433 HB2 ARG 63 HB2 ARG 63 4.649 1.205 10.054 434 HB3 ARG 63 HB3 ARG 63 4.449 -0.224 11.058 435 HG2 ARG 63 HG2 ARG 63 6.460 -0.713 9.084 436 HG3 ARG 63 HG3 ARG 63 6.813 0.786 9.945 437 HD2 ARG 63 HD2 ARG 63 7.730 -1.389 10.920 438 HD3 ARG 63 HD3 ARG 63 6.896 -0.287 12.021 439 HE ARG 63 HE ARG 63 5.343 -2.451 10.821 440 HH11 ARG 63 HH12 ARG 63 7.049 -1.227 13.626 441 HH12 ARG 63 HH11 ARG 63 6.209 -2.269 14.739 442 HH21 ARG 63 HH22 ARG 63 4.249 -3.828 12.304 443 HH22 ARG 63 HH21 ARG 63 4.642 -3.733 13.995 444 H PHE 64 H PHE 64 1.808 0.595 8.314 445 HA PHE 64 HA PHE 64 2.828 1.578 5.773 446 HB2 PHE 64 HB2 PHE 64 0.730 0.428 5.644 447 HB3 PHE 64 HB3 PHE 64 0.056 1.396 6.948 448 HD1 PHE 64 HD2 PHE 64 1.986 2.611 4.013 449 HD2 PHE 64 HD1 PHE 64 -1.790 2.353 5.952 450 HE1 PHE 64 HE2 PHE 64 1.051 4.220 2.402 451 HE2 PHE 64 HE1 PHE 64 -2.721 3.949 4.343 452 HZ PHE 64 HZ PHE 64 -1.311 4.880 2.561 453 H HIS 65 H HIS 65 3.179 3.627 5.273 454 HA HIS 65 HA HIS 65 2.461 5.690 7.256 455 HB2 HIS 65 HB2 HIS 65 5.003 4.966 6.774 456 HB3 HIS 65 HB3 HIS 65 4.802 6.126 5.468 457 HD1 HIS 65 HD1 HIS 65 5.536 5.886 9.019 458 HD2 HIS 65 HD2 HIS 65 4.035 8.781 6.443 459 HE1 HIS 65 HE1 HIS 65 5.768 8.071 10.242 460 HE2 HIS 65 HE2 HIS 65 4.591 9.749 8.774 461 HA PRO 66 HA PRO 66 0.046 6.504 3.388 462 HB2 PRO 66 HB2 PRO 66 -1.541 8.306 4.830 463 HB3 PRO 66 HB3 PRO 66 -1.917 6.637 4.456 464 HG2 PRO 66 HG2 PRO 66 -0.848 7.806 6.952 465 HG3 PRO 66 HG3 PRO 66 -1.926 6.412 6.731 466 HD2 PRO 66 HD2 PRO 66 0.676 6.126 7.362 467 HD3 PRO 66 HD3 PRO 66 -0.168 4.967 6.313 468 H LYS 67 H LYS 67 1.226 8.766 5.715 469 HA LYS 67 HA LYS 67 1.847 10.614 3.519 470 HB2 LYS 67 HB2 LYS 67 1.431 12.469 5.348 471 HB3 LYS 67 HB3 LYS 67 0.119 11.846 4.361 472 HG2 LYS 67 HG2 LYS 67 0.565 10.386 6.865 473 HG3 LYS 67 HG3 LYS 67 0.061 12.067 7.058 474 HD2 LYS 67 HD2 LYS 67 -1.355 10.055 5.310 475 HD3 LYS 67 HD3 LYS 67 -1.831 10.445 6.964 476 HE2 LYS 67 HE2 LYS 67 -2.222 12.753 6.339 477 HE3 LYS 67 HE3 LYS 67 -1.649 12.433 4.704 478 HZ1 LYS 67 HZ1 LYS 67 -4.116 12.492 4.995 479 HZ2 LYS 67 HZ2 LYS 67 -3.993 11.057 5.891 480 HZ3 LYS 67 HZ3 LYS 67 -3.519 11.086 4.262 481 H GLU 68 H GLU 68 3.953 9.841 3.525 482 HA GLU 68 HA GLU 68 5.622 9.779 5.786 483 HB2 GLU 68 HB2 GLU 68 6.331 8.562 3.879 484 HB3 GLU 68 HB3 GLU 68 6.223 9.979 2.841 485 HG2 GLU 68 HG2 GLU 68 8.145 10.953 3.815 486 HG3 GLU 68 HG3 GLU 68 8.163 9.774 5.125 487 H GLY 69 H GLY 69 6.234 11.361 7.014 488 HA2 GLY 69 HA3 GLY 69 6.809 13.430 7.792 489 HA3 GLY 69 HA2 GLY 69 7.750 13.540 6.318 490 H ALA 70 H ALA 70 7.462 15.663 5.940 491 HA ALA 70 HA ALA 70 4.831 16.867 5.936 492 HB1 ALA 70 HB1 ALA 70 6.770 18.167 6.666 493 HB2 ALA 70 HB2 ALA 70 7.503 17.982 5.073 494 HB3 ALA 70 HB3 ALA 70 6.010 18.906 5.256 495 H ALA 71 H ALA 71 6.812 15.147 3.833 496 HA ALA 71 HA ALA 71 6.061 16.251 1.333 497 HB1 ALA 71 HB1 ALA 71 6.931 14.135 0.404 498 HB2 ALA 71 HB2 ALA 71 8.041 14.861 1.568 499 HB3 ALA 71 HB3 ALA 71 7.045 13.484 2.041 500 H GLU 72 H GLU 72 4.537 14.118 3.570 501 HA GLU 72 HA GLU 72 2.609 12.928 3.578 502 HB2 GLU 72 HB2 GLU 72 1.810 15.082 1.618 503 HB3 GLU 72 HB3 GLU 72 0.689 13.959 2.377 504 HG2 GLU 72 HG2 GLU 72 1.388 14.839 4.588 505 HG3 GLU 72 HG3 GLU 72 2.377 16.036 3.750 506 H GLN 73 H GLN 73 4.373 11.600 2.190 507 HA GLN 73 HA GLN 73 3.029 10.804 -0.300 508 HB2 GLN 73 HB2 GLN 73 5.469 11.643 -0.310 509 HB3 GLN 73 HB3 GLN 73 5.859 10.103 0.444 510 HG2 GLN 73 HG2 GLN 73 4.909 8.926 -1.463 511 HG3 GLN 73 HG3 GLN 73 4.515 10.469 -2.217 512 HE21 GLN 73 HE21 GLN 73 6.200 11.795 -2.967 513 HE22 GLN 73 HE22 GLN 73 7.769 11.145 -3.299 514 HA PRO 74 HA PRO 74 2.015 7.161 2.066 515 HB2 PRO 74 HB2 PRO 74 0.693 5.832 0.115 516 HB3 PRO 74 HB3 PRO 74 -0.018 7.197 0.984 517 HG2 PRO 74 HG2 PRO 74 1.291 7.151 -1.710 518 HG3 PRO 74 HG3 PRO 74 -0.199 7.968 -1.204 519 HD2 PRO 74 HD2 PRO 74 2.171 9.262 -1.435 520 HD3 PRO 74 HD3 PRO 74 0.942 9.730 -0.244 521 H ILE 75 H ILE 75 3.721 5.954 2.496 522 HA ILE 75 HA ILE 75 4.673 4.174 0.384 523 HB ILE 75 HB ILE 75 6.962 4.482 0.811 524 HG12 ILE 75 HG13 ILE 75 7.490 6.380 2.668 525 HG13 ILE 75 3HG1 ILE 75 6.068 5.626 3.384 526 HG21 ILE 75 HG21 ILE 75 7.359 6.903 0.499 527 HG22 ILE 75 HG22 ILE 75 6.101 6.252 -0.554 528 HG23 ILE 75 HG23 ILE 75 5.657 7.191 0.872 529 HD11 ILE 75 HD11 ILE 75 8.607 4.227 2.577 530 HD12 ILE 75 HD12 ILE 75 8.086 4.595 4.222 531 HD13 ILE 75 HD13 ILE 75 7.175 3.443 3.242 532 H LEU 76 H LEU 76 5.169 2.145 1.055 533 HA LEU 76 HA LEU 76 4.527 1.551 3.864 534 HB2 LEU 76 HB2 LEU 76 2.916 0.669 2.246 535 HB3 LEU 76 HB3 LEU 76 4.201 -0.139 1.379 536 HG LEU 76 HG LEU 76 2.619 -1.450 3.006 537 HD11 LEU 76 HD11 LEU 76 5.600 -1.890 2.953 538 HD12 LEU 76 HD12 LEU 76 4.383 -3.097 3.366 539 HD13 LEU 76 HD13 LEU 76 4.451 -2.436 1.731 540 HD21 LEU 76 HD21 LEU 76 3.065 -0.036 4.950 541 HD22 LEU 76 HD22 LEU 76 3.527 -1.715 5.231 542 HD23 LEU 76 HD23 LEU 76 4.765 -0.506 4.888 543 H ARG 77 H ARG 77 6.132 0.780 5.086 544 HA ARG 77 HA ARG 77 8.411 -0.458 3.708 545 HB2 ARG 77 HB2 ARG 77 9.961 0.508 5.180 546 HB3 ARG 77 HB3 ARG 77 8.863 1.819 4.782 547 HG2 ARG 77 HG2 ARG 77 8.591 0.181 7.286 548 HG3 ARG 77 HG3 ARG 77 9.588 1.629 7.190 549 HD2 ARG 77 HD2 ARG 77 6.627 1.468 6.670 550 HD3 ARG 77 HD3 ARG 77 7.397 2.139 8.110 551 HE ARG 77 HE ARG 77 7.339 3.328 5.439 552 HH11 ARG 77 HH12 ARG 77 8.344 3.527 8.792 553 HH12 ARG 77 HH11 ARG 77 8.723 5.227 8.700 554 HH21 ARG 77 HH22 ARG 77 7.832 5.550 5.331 555 HH22 ARG 77 HH21 ARG 77 8.422 6.378 6.738 556 H ALA 78 H ALA 78 9.266 -2.282 4.564 557 HA ALA 78 HA ALA 78 8.408 -3.363 7.097 558 HB1 ALA 78 HB1 ALA 78 7.550 -4.747 4.552 559 HB2 ALA 78 HB2 ALA 78 7.331 -5.352 6.193 560 HB3 ALA 78 HB3 ALA 78 6.476 -3.903 5.667 561 H ARG 79 H ARG 79 9.374 -5.614 7.378 562 HA ARG 79 HA ARG 79 12.092 -5.562 6.338 563 HB2 ARG 79 HB2 ARG 79 11.026 -7.743 8.113 564 HB3 ARG 79 HB3 ARG 79 12.656 -7.099 8.023 565 HG2 ARG 79 HG2 ARG 79 10.254 -5.899 9.373 566 HG3 ARG 79 HG3 ARG 79 11.778 -6.418 10.097 567 HD2 ARG 79 HD2 ARG 79 12.952 -4.615 8.930 568 HD3 ARG 79 HD3 ARG 79 11.429 -4.128 8.184 569 HE ARG 79 HE ARG 79 10.671 -3.752 10.582 570 HH11 ARG 79 HH12 ARG 79 14.006 -3.344 9.571 571 HH12 ARG 79 HH11 ARG 79 14.319 -2.089 10.723 572 HH21 ARG 79 HH22 ARG 79 11.076 -2.112 12.060 573 HH22 ARG 79 HH21 ARG 79 12.650 -1.371 12.130 574 H LEU 80 H LEU 80 12.482 -6.520 4.450 575 HA LEU 80 HA LEU 80 10.729 -8.683 3.564 576 HB2 LEU 80 HB2 LEU 80 12.395 -6.636 2.219 577 HB3 LEU 80 HB3 LEU 80 12.230 -8.181 1.406 578 HG LEU 80 HG LEU 80 9.907 -7.922 1.154 579 HD11 LEU 80 HD11 LEU 80 8.607 -6.123 2.163 580 HD12 LEU 80 HD12 LEU 80 9.326 -7.201 3.360 581 HD13 LEU 80 HD13 LEU 80 10.041 -5.616 3.059 582 HD21 LEU 80 HD21 LEU 80 9.654 -5.730 0.053 583 HD22 LEU 80 HD22 LEU 80 11.223 -5.262 0.708 584 HD23 LEU 80 HD23 LEU 80 11.107 -6.604 -0.436 585 H ARG 81 H ARG 81 11.346 -10.691 3.500 586 HA ARG 81 HA ARG 81 14.007 -11.412 4.353 587 HB2 ARG 81 HB2 ARG 81 12.194 -12.625 5.324 588 HB3 ARG 81 HB3 ARG 81 11.524 -13.017 3.749 589 HG2 ARG 81 HG2 ARG 81 14.259 -13.997 4.262 590 HG3 ARG 81 HG3 ARG 81 12.985 -14.729 5.234 591 HD2 ARG 81 HD2 ARG 81 11.759 -14.969 2.941 592 HD3 ARG 81 HD3 ARG 81 13.379 -14.751 2.274 593 HE ARG 81 HE ARG 81 14.061 -16.759 3.365 594 HH11 ARG 81 HH12 ARG 81 10.621 -16.139 3.434 595 HH12 ARG 81 HH11 ARG 81 10.192 -17.779 3.813 596 HH21 ARG 81 HH22 ARG 81 13.515 -18.932 3.831 597 HH22 ARG 81 HH21 ARG 81 11.842 -19.364 4.039 598 H ASP 82 H ASP 82 15.536 -12.519 3.254 599 HA ASP 82 HA ASP 82 15.253 -12.629 0.327 600 HB2 ASP 82 HB2 ASP 82 17.086 -11.243 0.956 601 HB3 ASP 82 HB3 ASP 82 17.655 -12.406 2.135 602 H CYS 83 H CYS 83 16.530 -14.432 -0.706 603 HA CYS 83 HA CYS 83 15.544 -16.919 -0.035 604 HB2 CYS 83 HB2 CYS 83 18.035 -16.153 -1.543 605 HB3 CYS 83 HB3 CYS 83 17.449 -17.812 -1.445 606 HG CYS 83 HG CYS 83 15.589 -15.240 -2.723 607 H ASN 84 H ASN 84 18.421 -15.320 1.165 608 HA ASN 84 HA ASN 84 19.691 -17.597 2.283 609 HB2 ASN 84 HB2 ASN 84 20.927 -15.546 1.922 610 HB3 ASN 84 HB3 ASN 84 19.865 -14.664 3.012 611 HD21 ASN 84 HD21 ASN 84 22.453 -16.971 2.759 612 HD22 ASN 84 HD22 ASN 84 22.932 -16.909 4.423 613 H GLY 85 H GLY 85 17.085 -15.593 3.330 614 HA2 GLY 85 HA3 GLY 85 15.486 -16.325 4.924 615 HA3 GLY 85 HA2 GLY 85 16.727 -17.305 5.691 616 H GLU 86 H GLU 86 16.924 -13.956 4.716 617 HA GLU 86 HA GLU 86 17.225 -13.210 7.544 618 HB2 GLU 86 HB2 GLU 86 18.823 -11.518 6.892 619 HB3 GLU 86 HB3 GLU 86 19.345 -13.068 6.254 620 HG2 GLU 86 HG2 GLU 86 18.530 -12.467 4.057 621 HG3 GLU 86 HG3 GLU 86 17.938 -10.930 4.677 622 H PHE 87 H PHE 87 17.147 -10.482 7.249 623 HA PHE 87 HA PHE 87 14.702 -9.897 5.772 624 HB2 PHE 87 HB2 PHE 87 13.719 -8.745 7.778 625 HB3 PHE 87 HB3 PHE 87 13.778 -10.499 7.896 626 HD1 PHE 87 HD1 PHE 87 15.140 -7.348 9.175 627 HD2 PHE 87 HD2 PHE 87 15.197 -11.591 9.499 628 HE1 PHE 87 HE1 PHE 87 16.302 -7.163 11.337 629 HE2 PHE 87 HE2 PHE 87 16.361 -11.415 11.658 630 HZ PHE 87 HZ PHE 87 16.913 -9.199 12.580 631 H HIS 88 H HIS 88 14.550 -7.945 5.013 632 HA HIS 88 HA HIS 88 16.469 -5.910 5.875 633 HB2 HIS 88 HB2 HIS 88 16.526 -7.364 3.391 634 HB3 HIS 88 HB3 HIS 88 16.241 -5.660 3.091 635 HD1 HIS 88 HD1 HIS 88 18.093 -3.989 4.140 636 HD2 HIS 88 HD2 HIS 88 19.103 -8.023 3.972 637 HE1 HIS 88 HE1 HIS 88 20.597 -4.080 4.386 638 HE2 HIS 88 HE2 HIS 88 21.153 -6.537 4.485 639 H ASP 89 H ASP 89 15.281 -4.273 6.478 640 HA ASP 89 HA ASP 89 12.591 -3.872 5.773 641 HB2 ASP 89 HB2 ASP 89 13.092 -1.523 6.781 642 HB3 ASP 89 HB3 ASP 89 13.170 -2.945 7.816 643 H ARG 90 H ARG 90 11.914 -3.399 3.811 644 HA ARG 90 HA ARG 90 13.389 -1.338 2.284 645 HB2 ARG 90 HB2 ARG 90 11.565 -3.524 1.241 646 HB3 ARG 90 HB3 ARG 90 12.427 -2.348 0.258 647 HG2 ARG 90 HG2 ARG 90 13.679 -4.476 1.980 648 HG3 ARG 90 HG3 ARG 90 13.537 -4.505 0.221 649 HD2 ARG 90 HD2 ARG 90 14.918 -2.455 0.120 650 HD3 ARG 90 HD3 ARG 90 15.107 -2.529 1.872 651 HE ARG 90 HE ARG 90 15.903 -4.963 0.612 652 HH11 ARG 90 HH12 ARG 90 16.954 -1.694 1.307 653 HH12 ARG 90 HH11 ARG 90 18.651 -2.095 1.251 654 HH21 ARG 90 HH22 ARG 90 18.106 -5.502 0.542 655 HH22 ARG 90 HH21 ARG 90 19.302 -4.263 0.793 656 H ASP 91 H ASP 91 11.787 -0.166 0.725 657 HA ASP 91 HA ASP 91 9.191 0.210 2.007 658 HB2 ASP 91 HB2 ASP 91 9.343 2.592 2.013 659 HB3 ASP 91 HB3 ASP 91 10.781 1.995 2.828 660 H VAL 92 H VAL 92 7.627 1.122 0.597 661 HA VAL 92 HA VAL 92 8.415 1.214 -2.210 662 HB VAL 92 HB VAL 92 7.613 -1.073 -1.732 663 HG11 VAL 92 HG11 VAL 92 4.968 0.251 -1.169 664 HG12 VAL 92 HG12 VAL 92 5.244 -1.486 -1.306 665 HG13 VAL 92 HG13 VAL 92 5.986 -0.575 0.014 666 HG21 VAL 92 HG21 VAL 92 6.087 -1.210 -3.629 667 HG22 VAL 92 HG22 VAL 92 5.899 0.545 -3.582 668 HG23 VAL 92 HG23 VAL 92 7.474 -0.163 -3.945 669 H ASN 93 H ASN 93 7.181 2.467 -3.497 670 HA ASN 93 HA ASN 93 5.766 4.587 -2.144 671 HB2 ASN 93 HB2 ASN 93 6.764 4.105 -4.914 672 HB3 ASN 93 HB3 ASN 93 5.502 5.302 -4.680 673 HD21 ASN 93 HD21 ASN 93 8.055 4.587 -2.370 674 HD22 ASN 93 HD22 ASN 93 8.856 6.114 -2.506 675 H LEU 94 H LEU 94 3.700 4.331 -1.601 676 HA LEU 94 HA LEU 94 2.014 2.503 -3.074 677 HB2 LEU 94 HB2 LEU 94 1.396 4.285 -0.720 678 HB3 LEU 94 HB3 LEU 94 0.274 3.135 -1.419 679 HG LEU 94 HG LEU 94 2.650 2.664 0.310 680 HD11 LEU 94 HD11 LEU 94 0.426 2.633 1.262 681 HD12 LEU 94 HD12 LEU 94 -0.080 1.410 0.095 682 HD13 LEU 94 HD13 LEU 94 1.138 1.019 1.311 683 HD21 LEU 94 HD21 LEU 94 1.614 0.635 -1.671 684 HD22 LEU 94 HD22 LEU 94 3.209 1.386 -1.694 685 HD23 LEU 94 HD23 LEU 94 2.757 0.315 -0.368 686 H ASN 95 H ASN 95 3.026 5.474 -3.755 687 HA ASN 95 HA ASN 95 0.714 6.946 -4.387 688 HB2 ASN 95 HB2 ASN 95 3.321 7.032 -5.921 689 HB3 ASN 95 HB3 ASN 95 2.104 8.300 -5.823 690 HD21 ASN 95 HD21 ASN 95 4.810 6.839 -4.366 691 HD22 ASN 95 HD22 ASN 95 4.956 7.902 -3.023 692 H ARG 96 H ARG 96 2.106 4.168 -5.774 693 HA ARG 96 HA ARG 96 1.262 4.390 -8.443 694 HB2 ARG 96 HB2 ARG 96 1.874 2.075 -6.643 695 HB3 ARG 96 HB3 ARG 96 1.225 1.798 -8.250 696 HG2 ARG 96 HG2 ARG 96 3.642 1.598 -8.221 697 HG3 ARG 96 HG3 ARG 96 3.125 2.943 -9.235 698 HD2 ARG 96 HD2 ARG 96 3.747 3.567 -6.406 699 HD3 ARG 96 HD3 ARG 96 5.097 3.126 -7.445 700 HE ARG 96 HE ARG 96 3.249 5.292 -8.170 701 HH11 ARG 96 HH12 ARG 96 6.484 4.068 -7.618 702 HH12 ARG 96 HH11 ARG 96 7.266 5.518 -8.185 703 HH21 ARG 96 HH22 ARG 96 4.253 7.206 -8.867 704 HH22 ARG 96 HH21 ARG 96 5.996 7.315 -8.883 705 H ILE 97 H ILE 97 -0.403 3.739 -5.501 706 HA ILE 97 HA ILE 97 -2.703 2.499 -6.701 707 HB ILE 97 HB ILE 97 -2.378 3.640 -3.923 708 HG12 ILE 97 HG13 ILE 97 -2.207 0.724 -4.569 709 HG13 ILE 97 3HG1 ILE 97 -0.798 1.734 -4.871 710 HG21 ILE 97 HG21 ILE 97 -4.343 1.642 -5.050 711 HG22 ILE 97 HG22 ILE 97 -4.212 2.103 -3.352 712 HG23 ILE 97 HG23 ILE 97 -4.707 3.296 -4.555 713 HD11 ILE 97 HD11 ILE 97 -0.699 0.653 -2.697 714 HD12 ILE 97 HD12 ILE 97 -0.758 2.411 -2.556 715 HD13 ILE 97 HD13 ILE 97 -2.204 1.451 -2.235 716 H GLN 98 H GLN 98 -4.403 3.450 -7.493 717 HA GLN 98 HA GLN 98 -4.831 6.318 -7.007 718 HB2 GLN 98 HB2 GLN 98 -5.068 4.656 -9.485 719 HB3 GLN 98 HB3 GLN 98 -6.103 6.061 -9.296 720 HG2 GLN 98 HG2 GLN 98 -3.094 6.083 -9.231 721 HG3 GLN 98 HG3 GLN 98 -4.096 6.533 -10.610 722 HE21 GLN 98 HE21 GLN 98 -2.178 8.177 -9.292 723 HE22 GLN 98 HE22 GLN 98 -3.036 9.540 -8.660 724 H ASN 99 H ASN 99 -7.146 6.929 -7.350 725 HA ASN 99 HA ASN 99 -8.887 4.852 -6.206 726 HB2 ASN 99 HB2 ASN 99 -8.646 6.710 -4.687 727 HB3 ASN 99 HB3 ASN 99 -8.967 7.868 -5.974 728 HD21 ASN 99 HD21 ASN 99 -11.053 8.184 -6.683 729 HD22 ASN 99 HD22 ASN 99 -12.417 7.632 -5.787 730 H VAL 100 H VAL 100 -10.318 4.048 -7.591 731 HA VAL 100 HA VAL 100 -11.128 5.730 -9.860 732 HB VAL 100 HB VAL 100 -11.254 2.714 -9.652 733 HG11 VAL 100 HG11 VAL 100 -13.002 3.573 -11.090 734 HG12 VAL 100 HG12 VAL 100 -11.838 4.574 -11.959 735 HG13 VAL 100 HG13 VAL 100 -11.750 2.816 -12.075 736 HG21 VAL 100 HG21 VAL 100 -9.354 4.496 -11.172 737 HG22 VAL 100 HG22 VAL 100 -8.959 3.461 -9.798 738 HG23 VAL 100 HG23 VAL 100 -9.451 2.741 -11.333 739 H ASN 101 H ASN 101 -12.795 6.806 -9.000 740 HA ASN 101 HA ASN 101 -14.916 7.250 -8.341 741 HB2 ASN 101 HB2 ASN 101 -15.234 5.627 -10.342 742 HB3 ASN 101 HB3 ASN 101 -15.702 4.457 -9.113 743 HD21 ASN 101 HD21 ASN 101 -16.542 7.388 -10.767 744 HD22 ASN 101 HD22 ASN 101 -18.179 7.489 -10.198 745 H GLY 102 H GLY 102 -13.003 5.808 -6.489 746 HA2 GLY 102 HA3 GLY 102 -13.534 5.798 -4.119 747 HA3 GLY 102 HA2 GLY 102 -15.060 5.034 -4.528 748 H ARG 103 H ARG 103 -12.271 3.864 -6.190 749 HA ARG 103 HA ARG 103 -12.055 1.644 -4.278 750 HB2 ARG 103 HB2 ARG 103 -12.133 0.006 -5.980 751 HB3 ARG 103 HB3 ARG 103 -13.465 1.100 -6.323 752 HG2 ARG 103 HG2 ARG 103 -12.002 2.241 -7.990 753 HG3 ARG 103 HG3 ARG 103 -10.812 0.962 -7.732 754 HD2 ARG 103 HD2 ARG 103 -12.156 0.459 -9.682 755 HD3 ARG 103 HD3 ARG 103 -12.496 -0.704 -8.399 756 HE ARG 103 HE ARG 103 -14.350 1.350 -8.159 757 HH11 ARG 103 HH12 ARG 103 -13.486 -1.074 -10.528 758 HH12 ARG 103 HH11 ARG 103 -15.104 -1.234 -11.146 759 HH21 ARG 103 HH22 ARG 103 -16.498 1.136 -8.961 760 HH22 ARG 103 HH21 ARG 103 -16.807 0.002 -10.248 761 H LEU 104 H LEU 104 -10.031 0.834 -3.952 762 HA LEU 104 HA LEU 104 -7.828 2.469 -4.868 763 HB2 LEU 104 HB2 LEU 104 -7.903 0.062 -3.047 764 HB3 LEU 104 HB3 LEU 104 -6.484 1.047 -3.346 765 HG LEU 104 HG LEU 104 -9.024 1.920 -1.972 766 HD11 LEU 104 HD11 LEU 104 -7.562 0.479 -0.630 767 HD12 LEU 104 HD12 LEU 104 -6.214 1.577 -0.930 768 HD13 LEU 104 HD13 LEU 104 -7.614 2.129 -0.007 769 HD21 LEU 104 HD21 LEU 104 -7.906 4.047 -1.600 770 HD22 LEU 104 HD22 LEU 104 -6.516 3.499 -2.537 771 HD23 LEU 104 HD23 LEU 104 -8.077 3.730 -3.325 772 H VAL 105 H VAL 105 -6.687 2.062 -6.626 773 HA VAL 105 HA VAL 105 -6.439 -0.725 -7.557 774 HB VAL 105 HB VAL 105 -6.685 1.729 -9.312 775 HG11 VAL 105 HG11 VAL 105 -6.753 0.119 -11.164 776 HG12 VAL 105 HG12 VAL 105 -5.227 0.049 -10.284 777 HG13 VAL 105 HG13 VAL 105 -6.452 -1.191 -10.023 778 HG21 VAL 105 HG21 VAL 105 -8.823 0.732 -10.030 779 HG22 VAL 105 HG22 VAL 105 -8.631 -0.521 -8.803 780 HG23 VAL 105 HG23 VAL 105 -8.823 1.164 -8.319 781 H PHE 106 H PHE 106 -4.405 -1.408 -7.672 782 HA PHE 106 HA PHE 106 -2.237 0.454 -7.236 783 HB2 PHE 106 HB2 PHE 106 -0.874 -1.424 -6.849 784 HB3 PHE 106 HB3 PHE 106 -2.453 -1.922 -6.255 785 HD1 PHE 106 HD1 PHE 106 -3.953 -3.151 -8.077 786 HD2 PHE 106 HD2 PHE 106 0.294 -2.871 -8.178 787 HE1 PHE 106 HE1 PHE 106 -3.859 -5.131 -9.539 788 HE2 PHE 106 HE2 PHE 106 0.397 -4.844 -9.638 789 HZ PHE 106 HZ PHE 106 -1.681 -5.975 -10.323 790 H GLN 107 H GLN 107 -0.587 0.966 -8.641 791 HA GLN 107 HA GLN 107 0.328 1.568 -10.628 792 HB2 GLN 107 HB2 GLN 107 -0.326 -1.323 -11.182 793 HB3 GLN 107 HB3 GLN 107 0.598 -0.323 -12.291 794 HG2 GLN 107 HG2 GLN 107 1.443 -0.675 -9.440 795 HG3 GLN 107 HG3 GLN 107 1.858 -1.859 -10.674 796 HE21 GLN 107 HE21 GLN 107 1.662 1.606 -11.265 797 HE22 GLN 107 HE22 GLN 107 3.354 1.837 -11.537 Start of MODEL 19 1 H MET 1 H MET 1 -3.229 12.147 -8.791 2 HA MET 1 HA MET 1 -0.274 12.022 -8.813 3 HB2 MET 1 HB2 MET 1 -0.974 13.892 -7.465 4 HB3 MET 1 HB3 MET 1 -2.227 12.936 -6.690 5 HG2 MET 1 HG2 MET 1 -0.317 13.306 -5.221 6 HG3 MET 1 HG3 MET 1 -0.556 11.595 -5.568 7 HE1 MET 1 HE1 MET 1 2.086 12.695 -4.262 8 HE2 MET 1 HE2 MET 1 1.861 10.998 -4.678 9 HE3 MET 1 HE3 MET 1 3.323 11.844 -5.187 10 H SER 2 H SER 2 -2.758 11.036 -6.484 11 HA SER 2 HA SER 2 -2.468 8.237 -7.043 12 HB2 SER 2 HB2 SER 2 -1.490 9.147 -4.332 13 HB3 SER 2 HB3 SER 2 -1.354 7.548 -5.062 14 HG SER 2 HG SER 2 -0.041 8.813 -6.720 15 H TYR 3 H TYR 3 -3.565 6.997 -5.075 16 HA TYR 3 HA TYR 3 -6.173 8.012 -4.793 17 HB2 TYR 3 HB2 TYR 3 -6.610 6.114 -3.443 18 HB3 TYR 3 HB3 TYR 3 -5.368 5.587 -4.571 19 HD1 TYR 3 HD2 TYR 3 -2.921 5.629 -3.723 20 HD2 TYR 3 HD1 TYR 3 -6.305 5.850 -1.154 21 HE1 TYR 3 HE2 TYR 3 -1.520 4.933 -1.828 22 HE2 TYR 3 HE1 TYR 3 -4.919 5.157 0.751 23 HH TYR 3 HH TYR 3 -2.814 3.941 1.150 24 H ALA 4 H ALA 4 -3.311 8.189 -2.818 25 HA ALA 4 HA ALA 4 -4.310 9.139 -0.414 26 HB1 ALA 4 HB1 ALA 4 -2.029 8.363 -0.703 27 HB2 ALA 4 HB2 ALA 4 -1.662 9.773 -1.698 28 HB3 ALA 4 HB3 ALA 4 -2.062 9.978 0.008 29 H ASP 5 H ASP 5 -4.105 10.778 -3.424 30 HA ASP 5 HA ASP 5 -3.895 13.440 -2.503 31 HB2 ASP 5 HB2 ASP 5 -3.574 12.737 -4.878 32 HB3 ASP 5 HB3 ASP 5 -5.306 12.442 -4.995 33 H SER 6 H SER 6 -6.463 11.150 -2.542 34 HA SER 6 HA SER 6 -8.209 13.095 -1.243 35 HB2 SER 6 HB2 SER 6 -9.112 11.318 -3.526 36 HB3 SER 6 HB3 SER 6 -10.138 12.409 -2.594 37 HG SER 6 HG SER 6 -7.997 13.734 -3.559 38 H SER 7 H SER 7 -6.653 10.969 -0.128 39 HA SER 7 HA SER 7 -8.807 9.178 0.787 40 HB2 SER 7 HB2 SER 7 -7.285 7.338 0.908 41 HB3 SER 7 HB3 SER 7 -7.091 8.047 -0.694 42 HG SER 7 HG SER 7 -5.443 9.111 1.241 43 H ARG 8 H ARG 8 -8.651 8.473 2.977 44 HA ARG 8 HA ARG 8 -6.666 9.715 4.687 45 HB2 ARG 8 HB2 ARG 8 -8.200 10.866 6.101 46 HB3 ARG 8 HB3 ARG 8 -8.568 11.372 4.460 47 HG2 ARG 8 HG2 ARG 8 -10.202 9.165 4.908 48 HG3 ARG 8 HG3 ARG 8 -10.245 10.085 6.412 49 HD2 ARG 8 HD2 ARG 8 -12.003 10.874 4.986 50 HD3 ARG 8 HD3 ARG 8 -10.759 12.122 5.094 51 HE ARG 8 HE ARG 8 -10.912 10.267 2.811 52 HH11 ARG 8 HH12 ARG 8 -10.662 13.511 4.117 53 HH12 ARG 8 HH11 ARG 8 -10.508 14.265 2.554 54 HH21 ARG 8 HH22 ARG 8 -10.717 11.270 0.749 55 HH22 ARG 8 HH21 ARG 8 -10.561 12.996 0.643 56 H ASN 9 H ASN 9 -7.150 9.011 7.031 57 HA ASN 9 HA ASN 9 -7.191 7.288 8.504 58 HB2 ASN 9 HB2 ASN 9 -9.716 6.784 6.941 59 HB3 ASN 9 HB3 ASN 9 -9.266 5.795 8.331 60 HD21 ASN 9 HD21 ASN 9 -11.543 7.614 7.929 61 HD22 ASN 9 HD22 ASN 9 -11.446 8.767 9.221 62 H ALA 10 H ALA 10 -5.672 6.958 6.091 63 HA ALA 10 HA ALA 10 -5.901 4.268 5.181 64 HB1 ALA 10 HB1 ALA 10 -3.953 4.707 3.893 65 HB2 ALA 10 HB2 ALA 10 -4.941 6.163 3.868 66 HB3 ALA 10 HB3 ALA 10 -3.521 6.085 4.909 67 H VAL 11 H VAL 11 -5.412 2.557 6.326 68 HA VAL 11 HA VAL 11 -2.998 2.502 7.983 69 HB VAL 11 HB VAL 11 -5.672 1.566 9.064 70 HG11 VAL 11 HG11 VAL 11 -3.777 0.330 9.937 71 HG12 VAL 11 HG12 VAL 11 -2.977 1.838 10.384 72 HG13 VAL 11 HG13 VAL 11 -4.470 1.361 11.190 73 HG21 VAL 11 HG21 VAL 11 -5.614 3.449 10.605 74 HG22 VAL 11 HG22 VAL 11 -4.140 4.044 9.838 75 HG23 VAL 11 HG23 VAL 11 -5.652 4.008 8.933 76 H LEU 12 H LEU 12 -2.192 0.365 8.281 77 HA LEU 12 HA LEU 12 -3.100 -1.498 6.259 78 HB2 LEU 12 HB2 LEU 12 -0.625 -0.968 7.579 79 HB3 LEU 12 HB3 LEU 12 -1.053 -2.643 7.855 80 HG LEU 12 HG LEU 12 -1.076 -3.129 5.532 81 HD11 LEU 12 HD11 LEU 12 -0.802 -0.162 5.061 82 HD12 LEU 12 HD12 LEU 12 -0.730 -1.407 3.812 83 HD13 LEU 12 HD13 LEU 12 -2.222 -1.150 4.718 84 HD21 LEU 12 HD21 LEU 12 1.241 -1.303 6.150 85 HD22 LEU 12 HD22 LEU 12 1.140 -3.023 6.517 86 HD23 LEU 12 HD23 LEU 12 1.188 -2.482 4.840 87 H THR 13 H THR 13 -4.026 -3.442 6.602 88 HA THR 13 HA THR 13 -4.785 -4.139 9.360 89 HB THR 13 HB THR 13 -6.421 -4.770 6.898 90 HG1 THR 13 HG1 THR 13 -7.626 -2.912 7.304 91 HG21 THR 13 HG21 THR 13 -6.913 -6.079 8.901 92 HG22 THR 13 HG22 THR 13 -8.247 -4.988 8.528 93 HG23 THR 13 HG23 THR 13 -7.123 -4.597 9.831 94 H ASN 14 H ASN 14 -5.278 -6.502 9.594 95 HA ASN 14 HA ASN 14 -4.835 -8.719 9.347 96 HB2 ASN 14 HB2 ASN 14 -5.298 -7.910 6.812 97 HB3 ASN 14 HB3 ASN 14 -3.633 -8.460 6.658 98 HD21 ASN 14 HD21 ASN 14 -3.800 -10.572 8.610 99 HD22 ASN 14 HD22 ASN 14 -4.771 -11.825 7.913 100 H GLY 15 H GLY 15 -2.681 -6.416 9.692 101 HA2 GLY 15 HA3 GLY 15 -0.573 -6.669 10.718 102 HA3 GLY 15 HA2 GLY 15 -0.493 -8.307 10.081 103 H GLY 16 H GLY 16 -1.415 -5.746 7.971 104 HA2 GLY 16 HA3 GLY 16 0.023 -4.436 6.583 105 HA3 GLY 16 HA2 GLY 16 1.311 -5.586 6.895 106 H ARG 17 H ARG 17 -1.857 -6.757 6.175 107 HA ARG 17 HA ARG 17 -0.863 -7.656 3.559 108 HB2 ARG 17 HB2 ARG 17 -3.189 -8.931 4.956 109 HB3 ARG 17 HB3 ARG 17 -2.080 -9.629 3.783 110 HG2 ARG 17 HG2 ARG 17 -0.296 -9.415 5.589 111 HG3 ARG 17 HG3 ARG 17 -1.623 -9.101 6.697 112 HD2 ARG 17 HD2 ARG 17 -0.970 -11.461 6.700 113 HD3 ARG 17 HD3 ARG 17 -2.631 -11.230 6.165 114 HE ARG 17 HE ARG 17 -0.957 -11.303 3.908 115 HH11 ARG 17 HH12 ARG 17 -1.997 -13.442 6.475 116 HH12 ARG 17 HH11 ARG 17 -2.017 -14.861 5.463 117 HH21 ARG 17 HH22 ARG 17 -1.030 -13.153 2.552 118 HH22 ARG 17 HH21 ARG 17 -1.482 -14.692 3.220 119 H THR 18 H THR 18 -3.135 -5.683 5.116 120 HA THR 18 HA THR 18 -4.623 -5.392 2.595 121 HB THR 18 HB THR 18 -5.829 -5.225 5.364 122 HG1 THR 18 HG1 THR 18 -6.248 -7.240 3.379 123 HG21 THR 18 HG21 THR 18 -7.126 -5.185 2.634 124 HG22 THR 18 HG22 THR 18 -6.923 -3.790 3.695 125 HG23 THR 18 HG23 THR 18 -7.964 -5.127 4.185 126 H LEU 19 H LEU 19 -4.603 -3.387 1.842 127 HA LEU 19 HA LEU 19 -3.793 -1.192 3.591 128 HB2 LEU 19 HB2 LEU 19 -2.556 -1.402 1.535 129 HB3 LEU 19 HB3 LEU 19 -4.035 -1.452 0.597 130 HG LEU 19 HG LEU 19 -4.495 0.889 1.221 131 HD11 LEU 19 HD11 LEU 19 -3.330 0.986 3.346 132 HD12 LEU 19 HD12 LEU 19 -1.783 0.745 2.532 133 HD13 LEU 19 HD13 LEU 19 -2.705 2.222 2.252 134 HD21 LEU 19 HD21 LEU 19 -1.801 0.391 -0.025 135 HD22 LEU 19 HD22 LEU 19 -3.355 0.369 -0.855 136 HD23 LEU 19 HD23 LEU 19 -2.743 1.875 -0.171 137 H ARG 20 H ARG 20 -5.473 -0.316 4.626 138 HA ARG 20 HA ARG 20 -8.020 -0.008 3.190 139 HB2 ARG 20 HB2 ARG 20 -7.761 -1.186 5.496 140 HB3 ARG 20 HB3 ARG 20 -7.609 0.442 6.135 141 HG2 ARG 20 HG2 ARG 20 -9.957 -0.569 4.550 142 HG3 ARG 20 HG3 ARG 20 -9.884 -0.499 6.307 143 HD2 ARG 20 HD2 ARG 20 -9.781 1.825 4.391 144 HD3 ARG 20 HD3 ARG 20 -11.104 1.402 5.476 145 HE ARG 20 HE ARG 20 -8.669 2.791 6.150 146 HH11 ARG 20 HH12 ARG 20 -11.342 0.889 7.379 147 HH12 ARG 20 HH11 ARG 20 -11.196 1.509 9.000 148 HH21 ARG 20 HH22 ARG 20 -8.496 3.638 8.250 149 HH22 ARG 20 HH21 ARG 20 -9.587 3.096 9.495 150 H ALA 21 H ALA 21 -8.599 1.949 2.504 151 HA ALA 21 HA ALA 21 -7.765 4.330 3.952 152 HB1 ALA 21 HB1 ALA 21 -6.855 5.423 1.960 153 HB2 ALA 21 HB2 ALA 21 -5.923 3.986 2.390 154 HB3 ALA 21 HB3 ALA 21 -7.063 3.929 1.046 155 H GLU 22 H GLU 22 -9.253 5.956 3.784 156 HA GLU 22 HA GLU 22 -11.646 5.314 2.231 157 HB2 GLU 22 HB2 GLU 22 -11.381 7.627 4.133 158 HB3 GLU 22 HB3 GLU 22 -12.836 6.760 3.658 159 HG2 GLU 22 HG2 GLU 22 -11.716 4.736 4.813 160 HG3 GLU 22 HG3 GLU 22 -10.702 5.957 5.584 161 H CYS 23 H CYS 23 -11.627 6.050 0.233 162 HA CYS 23 HA CYS 23 -10.395 8.671 -0.290 163 HB2 CYS 23 HB2 CYS 23 -10.207 7.737 -2.663 164 HB3 CYS 23 HB3 CYS 23 -9.130 7.056 -1.448 165 HG CYS 23 HG CYS 23 -11.192 5.511 -3.419 166 H ARG 24 H ARG 24 -11.482 10.149 -1.507 167 HA ARG 24 HA ARG 24 -14.325 9.868 -1.596 168 HB2 ARG 24 HB2 ARG 24 -14.081 12.066 -1.282 169 HB3 ARG 24 HB3 ARG 24 -12.392 12.022 -1.762 170 HG2 ARG 24 HG2 ARG 24 -14.561 12.014 -3.822 171 HG3 ARG 24 HG3 ARG 24 -14.050 13.518 -3.055 172 HD2 ARG 24 HD2 ARG 24 -11.934 13.425 -3.986 173 HD3 ARG 24 HD3 ARG 24 -12.006 11.680 -4.225 174 HE ARG 24 HE ARG 24 -13.838 12.323 -5.928 175 HH11 ARG 24 HH12 ARG 24 -10.905 14.140 -5.283 176 HH12 ARG 24 HH11 ARG 24 -10.818 14.808 -6.887 177 HH21 ARG 24 HH22 ARG 24 -13.705 13.221 -8.043 178 HH22 ARG 24 HH21 ARG 24 -12.396 14.287 -8.444 179 H ASN 25 H ASN 25 -15.632 9.675 -3.361 180 HA ASN 25 HA ASN 25 -14.376 8.428 -5.667 181 HB2 ASN 25 HB2 ASN 25 -16.538 7.621 -6.236 182 HB3 ASN 25 HB3 ASN 25 -16.379 7.469 -4.496 183 HD21 ASN 25 HD21 ASN 25 -18.801 7.480 -5.960 184 HD22 ASN 25 HD22 ASN 25 -19.718 8.855 -5.434 185 H ALA 26 H ALA 26 -15.784 8.928 -7.808 186 HA ALA 26 HA ALA 26 -14.949 11.425 -8.706 187 HB1 ALA 26 HB1 ALA 26 -16.360 11.026 -10.655 188 HB2 ALA 26 HB2 ALA 26 -15.477 9.572 -10.190 189 HB3 ALA 26 HB3 ALA 26 -17.189 9.729 -9.795 190 H ASP 27 H ASP 27 -17.925 10.518 -7.117 191 HA ASP 27 HA ASP 27 -19.371 12.891 -7.774 192 HB2 ASP 27 HB2 ASP 27 -20.402 10.699 -7.097 193 HB3 ASP 27 HB3 ASP 27 -19.865 11.023 -5.455 194 H GLY 28 H GLY 28 -17.047 12.071 -5.359 195 HA2 GLY 28 HA3 GLY 28 -15.894 13.826 -4.191 196 HA3 GLY 28 HA2 GLY 28 -17.385 14.759 -4.206 197 H ASN 29 H ASN 29 -17.976 11.536 -3.540 198 HA ASN 29 HA ASN 29 -18.410 12.145 -0.705 199 HB2 ASN 29 HB2 ASN 29 -20.092 11.009 -2.424 200 HB3 ASN 29 HB3 ASN 29 -19.209 9.561 -1.955 201 HD21 ASN 29 HD21 ASN 29 -21.410 12.013 -0.955 202 HD22 ASN 29 HD22 ASN 29 -21.867 11.279 0.544 203 H TRP 30 H TRP 30 -17.514 10.901 0.934 204 HA TRP 30 HA TRP 30 -14.994 9.679 0.323 205 HB2 TRP 30 HB2 TRP 30 -16.498 9.998 2.922 206 HB3 TRP 30 HB3 TRP 30 -14.910 9.248 2.803 207 HD1 TRP 30 HD1 TRP 30 -14.388 11.740 0.406 208 HE1 TRP 30 HE1 TRP 30 -13.460 13.937 1.379 209 HE3 TRP 30 HE3 TRP 30 -15.560 11.000 5.327 210 HZ2 TRP 30 HZ2 TRP 30 -13.244 15.175 3.899 211 HZ3 TRP 30 HZ3 TRP 30 -14.955 12.741 6.955 212 HH2 TRP 30 HH2 TRP 30 -13.821 14.788 6.254 213 H VAL 31 H VAL 31 -14.622 7.652 -0.152 214 HA VAL 31 HA VAL 31 -16.619 5.610 0.593 215 HB VAL 31 HB VAL 31 -14.749 5.392 -1.756 216 HG11 VAL 31 HG11 VAL 31 -16.428 3.778 -2.555 217 HG12 VAL 31 HG12 VAL 31 -15.719 3.320 -1.005 218 HG13 VAL 31 HG13 VAL 31 -17.339 4.020 -1.064 219 HG21 VAL 31 HG21 VAL 31 -17.527 6.560 -1.766 220 HG22 VAL 31 HG22 VAL 31 -16.021 7.396 -2.155 221 HG23 VAL 31 HG23 VAL 31 -16.611 6.108 -3.204 222 H THR 32 H THR 32 -15.851 4.084 1.946 223 HA THR 32 HA THR 32 -13.053 3.993 2.578 224 HB THR 32 HB THR 32 -15.204 2.070 3.484 225 HG1 THR 32 HG1 THR 32 -14.406 4.243 5.085 226 HG21 THR 32 HG21 THR 32 -13.732 1.794 5.428 227 HG22 THR 32 HG22 THR 32 -12.583 2.930 4.719 228 HG23 THR 32 HG23 THR 32 -12.891 1.383 3.933 229 H SER 33 H SER 33 -11.704 3.056 1.140 230 HA SER 33 HA SER 33 -12.618 0.599 -0.199 231 HB2 SER 33 HB2 SER 33 -12.032 2.580 -1.660 232 HB3 SER 33 HB3 SER 33 -10.370 2.404 -1.099 233 HG SER 33 HG SER 33 -11.680 0.156 -2.133 234 H GLU 34 H GLU 34 -11.212 -1.134 -0.372 235 HA GLU 34 HA GLU 34 -8.815 -1.056 1.311 236 HB2 GLU 34 HB2 GLU 34 -10.594 -3.469 1.341 237 HB3 GLU 34 HB3 GLU 34 -9.386 -2.971 2.518 238 HG2 GLU 34 HG2 GLU 34 -10.891 -1.059 3.103 239 HG3 GLU 34 HG3 GLU 34 -12.114 -1.799 2.079 240 H LEU 35 H LEU 35 -7.105 -1.979 0.383 241 HA LEU 35 HA LEU 35 -7.546 -3.878 -1.827 242 HB2 LEU 35 HB2 LEU 35 -6.692 -1.415 -2.362 243 HB3 LEU 35 HB3 LEU 35 -5.157 -2.081 -1.841 244 HG LEU 35 HG LEU 35 -6.828 -2.907 -4.210 245 HD11 LEU 35 HD11 LEU 35 -3.992 -1.939 -3.939 246 HD12 LEU 35 HD12 LEU 35 -4.785 -2.402 -5.444 247 HD13 LEU 35 HD13 LEU 35 -5.364 -1.005 -4.537 248 HD21 LEU 35 HD21 LEU 35 -5.170 -4.665 -4.655 249 HD22 LEU 35 HD22 LEU 35 -4.414 -4.339 -3.095 250 HD23 LEU 35 HD23 LEU 35 -6.061 -4.965 -3.163 251 H ASP 36 H ASP 36 -6.818 -5.749 -1.214 252 HA ASP 36 HA ASP 36 -5.085 -6.115 0.981 253 HB2 ASP 36 HB2 ASP 36 -6.130 -7.940 -1.173 254 HB3 ASP 36 HB3 ASP 36 -5.062 -8.501 0.097 255 H LEU 37 H LEU 37 -3.049 -5.530 0.920 256 HA LEU 37 HA LEU 37 -1.477 -5.119 -1.363 257 HB2 LEU 37 HB2 LEU 37 -0.575 -5.789 1.434 258 HB3 LEU 37 HB3 LEU 37 0.390 -5.019 0.182 259 HG LEU 37 HG LEU 37 -2.125 -3.816 1.235 260 HD11 LEU 37 HD11 LEU 37 -0.541 -4.279 3.024 261 HD12 LEU 37 HD12 LEU 37 0.671 -3.326 2.165 262 HD13 LEU 37 HD13 LEU 37 -0.801 -2.550 2.761 263 HD21 LEU 37 HD21 LEU 37 -1.308 -3.010 -0.932 264 HD22 LEU 37 HD22 LEU 37 -1.206 -1.768 0.319 265 HD23 LEU 37 HD23 LEU 37 0.246 -2.632 -0.187 266 H ASP 38 H ASP 38 -1.837 -7.820 0.832 267 HA ASP 38 HA ASP 38 0.253 -9.399 -0.205 268 HB2 ASP 38 HB2 ASP 38 -0.459 -11.087 1.185 269 HB3 ASP 38 HB3 ASP 38 -1.135 -9.679 1.997 270 H THR 39 H THR 39 -2.492 -8.379 -1.738 271 HA THR 39 HA THR 39 -2.625 -10.862 -3.312 272 HB THR 39 HB THR 39 -4.749 -9.725 -2.263 273 HG1 THR 39 HG1 THR 39 -5.262 -11.455 -3.416 274 HG21 THR 39 HG21 THR 39 -5.935 -8.321 -3.874 275 HG22 THR 39 HG22 THR 39 -4.516 -8.320 -4.922 276 HG23 THR 39 HG23 THR 39 -4.443 -7.547 -3.339 277 H ILE 40 H ILE 40 -1.383 -7.709 -3.430 278 HA ILE 40 HA ILE 40 -0.802 -8.075 -6.278 279 HB ILE 40 HB ILE 40 -1.166 -5.596 -6.638 280 HG12 ILE 40 HG13 ILE 40 -3.147 -4.830 -5.048 281 HG13 ILE 40 3HG1 ILE 40 -2.349 -5.916 -3.919 282 HG21 ILE 40 HG21 ILE 40 -3.565 -5.856 -7.063 283 HG22 ILE 40 HG22 ILE 40 -2.636 -7.258 -7.593 284 HG23 ILE 40 HG23 ILE 40 -3.565 -7.331 -6.098 285 HD11 ILE 40 HD11 ILE 40 -0.295 -4.637 -4.135 286 HD12 ILE 40 HD12 ILE 40 -1.083 -3.560 -5.289 287 HD13 ILE 40 HD13 ILE 40 -1.635 -3.617 -3.614 288 H ILE 41 H ILE 41 0.571 -7.939 -3.465 289 HA ILE 41 HA ILE 41 2.844 -6.314 -4.413 290 HB ILE 41 HB ILE 41 1.834 -6.509 -1.572 291 HG12 ILE 41 HG13 ILE 41 1.710 -4.435 -3.703 292 HG13 ILE 41 3HG1 ILE 41 0.532 -4.851 -2.465 293 HG21 ILE 41 HG21 ILE 41 4.303 -5.124 -2.604 294 HG22 ILE 41 HG22 ILE 41 3.663 -5.019 -0.961 295 HG23 ILE 41 HG23 ILE 41 4.260 -6.560 -1.579 296 HD11 ILE 41 HD11 ILE 41 1.467 -2.626 -2.132 297 HD12 ILE 41 HD12 ILE 41 1.853 -3.708 -0.789 298 HD13 ILE 41 HD13 ILE 41 3.080 -3.333 -2.000 299 H GLY 42 H GLY 42 4.757 -7.353 -4.423 300 HA2 GLY 42 HA3 GLY 42 4.905 -9.900 -2.932 301 HA3 GLY 42 HA2 GLY 42 5.437 -9.787 -4.601 302 H ASN 43 H ASN 43 7.044 -10.646 -2.466 303 HA ASN 43 HA ASN 43 8.969 -8.437 -2.227 304 HB2 ASN 43 HB2 ASN 43 8.374 -9.081 -0.031 305 HB3 ASN 43 HB3 ASN 43 8.402 -10.792 -0.432 306 HD21 ASN 43 HD21 ASN 43 9.787 -11.248 1.266 307 HD22 ASN 43 HD22 ASN 43 11.475 -10.840 1.214 308 H ASN 44 H ASN 44 10.466 -8.595 -3.735 309 HA ASN 44 HA ASN 44 11.327 -11.253 -4.622 310 HB2 ASN 44 HB2 ASN 44 10.639 -9.571 -6.338 311 HB3 ASN 44 HB3 ASN 44 11.990 -8.560 -5.832 312 HD21 ASN 44 HD21 ASN 44 11.939 -12.076 -6.139 313 HD22 ASN 44 HD22 ASN 44 13.129 -12.150 -7.403 314 H ASP 45 H ASP 45 12.436 -11.572 -2.600 315 HA ASP 45 HA ASP 45 14.265 -11.668 -1.257 316 HB2 ASP 45 HB2 ASP 45 15.638 -10.955 -3.854 317 HB3 ASP 45 HB3 ASP 45 16.465 -11.539 -2.412 318 H GLY 46 H GLY 46 13.090 -9.503 -0.533 319 HA2 GLY 46 HA3 GLY 46 13.596 -7.587 0.669 320 HA3 GLY 46 HA2 GLY 46 15.255 -7.710 0.103 321 H HIS 47 H HIS 47 12.426 -7.661 -1.975 322 HA HIS 47 HA HIS 47 12.862 -4.866 -2.677 323 HB2 HIS 47 HB2 HIS 47 13.161 -7.102 -4.703 324 HB3 HIS 47 HB3 HIS 47 13.042 -5.394 -5.109 325 HD1 HIS 47 HD1 HIS 47 15.419 -7.991 -3.979 326 HD2 HIS 47 HD2 HIS 47 15.333 -3.855 -4.406 327 HE1 HIS 47 HE1 HIS 47 17.815 -7.240 -3.802 328 HE2 HIS 47 HE2 HIS 47 17.728 -4.725 -3.952 329 H PHE 48 H PHE 48 10.834 -4.102 -2.473 330 HA PHE 48 HA PHE 48 8.493 -5.622 -2.715 331 HB2 PHE 48 HB2 PHE 48 8.995 -2.664 -2.861 332 HB3 PHE 48 HB3 PHE 48 7.380 -3.331 -3.068 333 HD1 PHE 48 HD2 PHE 48 6.720 -5.082 -1.165 334 HD2 PHE 48 HD1 PHE 48 9.599 -1.978 -0.769 335 HE1 PHE 48 HE2 PHE 48 6.426 -5.132 1.276 336 HE2 PHE 48 HE1 PHE 48 9.317 -2.027 1.676 337 HZ PHE 48 HZ PHE 48 7.728 -3.603 2.701 338 H GLN 49 H GLN 49 7.139 -6.091 -4.332 339 HA GLN 49 HA GLN 49 7.742 -5.020 -6.989 340 HB2 GLN 49 HB2 GLN 49 8.745 -7.133 -7.111 341 HB3 GLN 49 HB3 GLN 49 7.486 -7.891 -6.145 342 HG2 GLN 49 HG2 GLN 49 5.973 -7.902 -7.925 343 HG3 GLN 49 HG3 GLN 49 6.922 -6.751 -8.855 344 HE21 GLN 49 HE21 GLN 49 9.448 -8.120 -8.244 345 HE22 GLN 49 HE22 GLN 49 9.450 -9.561 -9.209 346 H TRP 50 H TRP 50 6.027 -4.004 -7.708 347 HA TRP 50 HA TRP 50 3.424 -4.419 -6.649 348 HB2 TRP 50 HB2 TRP 50 4.445 -2.854 -9.027 349 HB3 TRP 50 HB3 TRP 50 2.735 -2.921 -8.612 350 HD1 TRP 50 HD1 TRP 50 5.791 -0.946 -7.906 351 HE1 TRP 50 HE1 TRP 50 5.364 0.686 -5.945 352 HE3 TRP 50 HE3 TRP 50 1.402 -2.901 -6.171 353 HZ2 TRP 50 HZ2 TRP 50 3.426 1.071 -3.941 354 HZ3 TRP 50 HZ3 TRP 50 0.327 -1.846 -4.232 355 HH2 TRP 50 HH2 TRP 50 1.314 0.095 -3.143 356 H GLY 51 H GLY 51 2.235 -6.117 -7.052 357 HA2 GLY 51 HA3 GLY 51 0.873 -7.390 -8.560 358 HA3 GLY 51 HA2 GLY 51 2.099 -7.178 -9.800 359 H GLY 52 H GLY 52 2.986 -8.058 -6.547 360 HA2 GLY 52 HA3 GLY 52 3.992 -10.601 -7.588 361 HA3 GLY 52 HA2 GLY 52 4.491 -9.828 -6.093 362 H GLN 53 H GLN 53 2.258 -9.452 -4.705 363 HA GLN 53 HA GLN 53 0.641 -10.363 -3.419 364 HB2 GLN 53 HB2 GLN 53 -0.660 -11.073 -5.214 365 HB3 GLN 53 HB3 GLN 53 0.516 -12.274 -5.725 366 HG2 GLN 53 HG2 GLN 53 -0.050 -13.648 -3.784 367 HG3 GLN 53 HG3 GLN 53 -1.219 -12.432 -3.269 368 HE21 GLN 53 HE21 GLN 53 -3.147 -12.202 -4.407 369 HE22 GLN 53 HE22 GLN 53 -3.700 -13.402 -5.524 370 H ASN 54 H ASN 54 0.547 -11.626 -1.675 371 HA ASN 54 HA ASN 54 1.198 -12.927 0.027 372 HB2 ASN 54 HB2 ASN 54 1.234 -14.626 -2.084 373 HB3 ASN 54 HB3 ASN 54 2.903 -14.755 -1.531 374 HD21 ASN 54 HD21 ASN 54 0.739 -16.702 -1.444 375 HD22 ASN 54 HD22 ASN 54 0.550 -17.138 0.219 376 H PHE 55 H PHE 55 2.687 -10.659 -0.553 377 HA PHE 55 HA PHE 55 5.494 -11.247 -0.298 378 HB2 PHE 55 HB2 PHE 55 5.855 -8.937 -0.407 379 HB3 PHE 55 HB3 PHE 55 4.370 -9.115 -1.322 380 HD1 PHE 55 HD1 PHE 55 2.175 -8.631 -0.157 381 HD2 PHE 55 HD2 PHE 55 5.960 -7.529 1.446 382 HE1 PHE 55 HE1 PHE 55 1.080 -6.949 1.262 383 HE2 PHE 55 HE2 PHE 55 4.871 -5.846 2.871 384 HZ PHE 55 HZ PHE 55 2.428 -5.553 2.780 385 H THR 56 H THR 56 2.794 -10.711 1.749 386 HA THR 56 HA THR 56 4.063 -9.947 4.125 387 HB THR 56 HB THR 56 1.967 -10.875 5.195 388 HG1 THR 56 HG1 THR 56 1.321 -12.465 3.801 389 HG21 THR 56 HG21 THR 56 0.487 -9.213 4.035 390 HG22 THR 56 HG22 THR 56 1.782 -8.972 2.865 391 HG23 THR 56 HG23 THR 56 2.042 -8.568 4.562 392 H GLU 57 H GLU 57 3.660 -13.068 2.612 393 HA GLU 57 HA GLU 57 4.236 -14.610 4.927 394 HB2 GLU 57 HB2 GLU 57 4.085 -16.450 3.572 395 HB3 GLU 57 HB3 GLU 57 3.217 -15.283 2.583 396 HG2 GLU 57 HG2 GLU 57 5.020 -15.032 1.110 397 HG3 GLU 57 HG3 GLU 57 6.137 -15.819 2.226 398 H THR 58 H THR 58 6.164 -12.707 2.858 399 HA THR 58 HA THR 58 8.597 -13.933 3.971 400 HB THR 58 HB THR 58 9.787 -13.232 1.923 401 HG1 THR 58 HG1 THR 58 7.531 -12.862 0.414 402 HG21 THR 58 HG21 THR 58 8.848 -14.892 0.406 403 HG22 THR 58 HG22 THR 58 7.339 -14.894 1.322 404 HG23 THR 58 HG23 THR 58 8.821 -15.498 2.063 405 H ALA 59 H ALA 59 6.694 -11.584 4.588 406 HA ALA 59 HA ALA 59 8.807 -9.568 4.921 407 HB1 ALA 59 HB1 ALA 59 7.150 -8.850 3.255 408 HB2 ALA 59 HB2 ALA 59 5.876 -9.027 4.462 409 HB3 ALA 59 HB3 ALA 59 7.143 -7.821 4.688 410 H GLU 60 H GLU 60 8.788 -8.389 6.817 411 HA GLU 60 HA GLU 60 7.000 -9.276 8.977 412 HB2 GLU 60 HB2 GLU 60 9.844 -8.687 9.651 413 HB3 GLU 60 HB3 GLU 60 8.723 -9.794 10.425 414 HG2 GLU 60 HG2 GLU 60 8.994 -11.333 8.498 415 HG3 GLU 60 HG3 GLU 60 10.230 -10.242 7.862 416 H ASP 61 H ASP 61 7.282 -7.703 10.889 417 HA ASP 61 HA ASP 61 6.869 -5.557 11.620 418 HB2 ASP 61 HB2 ASP 61 9.480 -5.890 11.368 419 HB3 ASP 61 HB3 ASP 61 9.295 -4.699 10.094 420 H ILE 62 H ILE 62 5.134 -5.774 9.675 421 HA ILE 62 HA ILE 62 5.654 -3.826 7.588 422 HB ILE 62 HB ILE 62 3.016 -5.208 7.974 423 HG12 ILE 62 HG13 ILE 62 5.614 -6.342 6.924 424 HG13 ILE 62 3HG1 ILE 62 4.526 -7.040 8.115 425 HG21 ILE 62 HG21 ILE 62 4.548 -4.271 5.543 426 HG22 ILE 62 HG22 ILE 62 2.955 -5.028 5.527 427 HG23 ILE 62 HG23 ILE 62 3.174 -3.452 6.286 428 HD11 ILE 62 HD11 ILE 62 4.410 -8.245 6.028 429 HD12 ILE 62 HD12 ILE 62 2.873 -7.438 6.355 430 HD13 ILE 62 HD13 ILE 62 3.993 -6.762 5.170 431 H ARG 63 H ARG 63 5.468 -1.783 8.089 432 HA ARG 63 HA ARG 63 3.035 -0.887 9.481 433 HB2 ARG 63 HB2 ARG 63 4.663 1.118 10.140 434 HB3 ARG 63 HB3 ARG 63 4.495 -0.313 11.144 435 HG2 ARG 63 HG2 ARG 63 6.535 -0.679 9.135 436 HG3 ARG 63 HG3 ARG 63 6.844 0.751 10.127 437 HD2 ARG 63 HD2 ARG 63 7.809 -1.420 10.978 438 HD3 ARG 63 HD3 ARG 63 6.821 -0.512 12.125 439 HE ARG 63 HE ARG 63 5.743 -2.783 10.592 440 HH11 ARG 63 HH12 ARG 63 6.272 -1.126 13.631 441 HH12 ARG 63 HH11 ARG 63 5.363 -2.284 14.557 442 HH21 ARG 63 HH22 ARG 63 4.533 -4.298 11.811 443 HH22 ARG 63 HH21 ARG 63 4.367 -4.075 13.527 444 H PHE 64 H PHE 64 1.878 0.523 8.372 445 HA PHE 64 HA PHE 64 2.942 1.441 5.823 446 HB2 PHE 64 HB2 PHE 64 0.799 0.383 5.691 447 HB3 PHE 64 HB3 PHE 64 0.162 1.372 6.997 448 HD1 PHE 64 HD1 PHE 64 1.998 2.197 3.850 449 HD2 PHE 64 HD2 PHE 64 -1.489 2.715 6.224 450 HE1 PHE 64 HE1 PHE 64 1.146 3.843 2.234 451 HE2 PHE 64 HE2 PHE 64 -2.342 4.356 4.615 452 HZ PHE 64 HZ PHE 64 -1.032 4.920 2.611 453 H HIS 65 H HIS 65 3.295 3.491 5.288 454 HA HIS 65 HA HIS 65 2.788 5.574 7.321 455 HB2 HIS 65 HB2 HIS 65 5.227 4.797 6.715 456 HB3 HIS 65 HB3 HIS 65 4.976 5.759 5.265 457 HD1 HIS 65 HD1 HIS 65 6.953 7.293 6.137 458 HD2 HIS 65 HD2 HIS 65 3.516 7.289 8.493 459 HE1 HIS 65 HE1 HIS 65 7.205 9.227 7.722 460 HE2 HIS 65 HE2 HIS 65 5.165 9.156 9.198 461 HA PRO 66 HA PRO 66 0.151 6.498 3.590 462 HB2 PRO 66 HB2 PRO 66 -1.457 8.173 5.138 463 HB3 PRO 66 HB3 PRO 66 -1.798 6.507 4.702 464 HG2 PRO 66 HG2 PRO 66 -0.755 7.616 7.230 465 HG3 PRO 66 HG3 PRO 66 -1.747 6.169 6.952 466 HD2 PRO 66 HD2 PRO 66 0.901 6.065 7.549 467 HD3 PRO 66 HD3 PRO 66 0.083 4.843 6.558 468 H LYS 67 H LYS 67 1.088 8.714 6.090 469 HA LYS 67 HA LYS 67 1.602 10.738 4.008 470 HB2 LYS 67 HB2 LYS 67 1.010 11.358 6.905 471 HB3 LYS 67 HB3 LYS 67 1.100 12.489 5.566 472 HG2 LYS 67 HG2 LYS 67 -1.145 12.360 5.732 473 HG3 LYS 67 HG3 LYS 67 -0.904 10.955 4.691 474 HD2 LYS 67 HD2 LYS 67 -1.061 9.456 6.517 475 HD3 LYS 67 HD3 LYS 67 -0.932 10.767 7.692 476 HE2 LYS 67 HE2 LYS 67 -3.104 11.655 6.723 477 HE3 LYS 67 HE3 LYS 67 -3.241 10.113 5.878 478 HZ1 LYS 67 HZ1 LYS 67 -4.453 10.177 8.000 479 HZ2 LYS 67 HZ2 LYS 67 -2.988 10.401 8.824 480 HZ3 LYS 67 HZ3 LYS 67 -3.270 8.964 7.967 481 H GLU 68 H GLU 68 3.724 9.821 3.791 482 HA GLU 68 HA GLU 68 5.521 9.631 5.934 483 HB2 GLU 68 HB2 GLU 68 6.036 8.518 3.872 484 HB3 GLU 68 HB3 GLU 68 6.075 10.048 3.002 485 HG2 GLU 68 HG2 GLU 68 8.185 10.431 3.569 486 HG3 GLU 68 HG3 GLU 68 7.871 10.054 5.264 487 H GLY 69 H GLY 69 6.000 11.205 7.236 488 HA2 GLY 69 HA3 GLY 69 6.610 13.245 8.055 489 HA3 GLY 69 HA2 GLY 69 7.658 13.297 6.649 490 H ALA 70 H ALA 70 7.522 15.372 6.136 491 HA ALA 70 HA ALA 70 4.993 16.758 6.012 492 HB1 ALA 70 HB1 ALA 70 6.311 18.677 5.320 493 HB2 ALA 70 HB2 ALA 70 7.053 17.902 6.718 494 HB3 ALA 70 HB3 ALA 70 7.731 17.652 5.110 495 H ALA 71 H ALA 71 6.709 14.687 3.989 496 HA ALA 71 HA ALA 71 6.024 15.909 1.480 497 HB1 ALA 71 HB1 ALA 71 6.970 13.120 2.139 498 HB2 ALA 71 HB2 ALA 71 6.788 13.771 0.509 499 HB3 ALA 71 HB3 ALA 71 7.964 14.480 1.614 500 H GLU 72 H GLU 72 4.501 13.851 3.747 501 HA GLU 72 HA GLU 72 2.514 12.766 3.857 502 HB2 GLU 72 HB2 GLU 72 1.697 14.699 1.679 503 HB3 GLU 72 HB3 GLU 72 0.610 13.790 2.717 504 HG2 GLU 72 HG2 GLU 72 1.425 15.011 4.660 505 HG3 GLU 72 HG3 GLU 72 2.541 15.911 3.630 506 H GLN 73 H GLN 73 4.433 11.556 2.285 507 HA GLN 73 HA GLN 73 3.000 10.593 -0.081 508 HB2 GLN 73 HB2 GLN 73 5.884 10.349 0.759 509 HB3 GLN 73 HB3 GLN 73 5.210 9.506 -0.629 510 HG2 GLN 73 HG2 GLN 73 4.682 11.595 -1.699 511 HG3 GLN 73 HG3 GLN 73 5.203 12.494 -0.275 512 HE21 GLN 73 HE21 GLN 73 6.907 9.679 -1.409 513 HE22 GLN 73 HE22 GLN 73 8.316 10.513 -1.967 514 HA PRO 74 HA PRO 74 1.977 6.960 2.284 515 HB2 PRO 74 HB2 PRO 74 0.696 5.664 0.271 516 HB3 PRO 74 HB3 PRO 74 -0.062 6.959 1.208 517 HG2 PRO 74 HG2 PRO 74 1.240 7.081 -1.486 518 HG3 PRO 74 HG3 PRO 74 -0.268 7.836 -0.939 519 HD2 PRO 74 HD2 PRO 74 2.043 9.214 -1.122 520 HD3 PRO 74 HD3 PRO 74 0.843 9.565 0.136 521 H ILE 75 H ILE 75 3.757 5.812 2.655 522 HA ILE 75 HA ILE 75 4.704 4.085 0.493 523 HB ILE 75 HB ILE 75 6.985 4.454 0.872 524 HG12 ILE 75 HG13 ILE 75 7.459 6.323 2.808 525 HG13 ILE 75 3HG1 ILE 75 6.129 5.413 3.519 526 HG21 ILE 75 HG21 ILE 75 5.593 7.112 1.043 527 HG22 ILE 75 HG22 ILE 75 7.307 6.908 0.671 528 HG23 ILE 75 HG23 ILE 75 6.085 6.244 -0.412 529 HD11 ILE 75 HD11 ILE 75 8.328 4.558 4.187 530 HD12 ILE 75 HD12 ILE 75 7.380 3.356 3.308 531 HD13 ILE 75 HD13 ILE 75 8.693 4.209 2.499 532 H LEU 76 H LEU 76 5.308 2.055 1.137 533 HA LEU 76 HA LEU 76 4.662 1.417 3.937 534 HB2 LEU 76 HB2 LEU 76 3.092 0.519 2.281 535 HB3 LEU 76 HB3 LEU 76 4.407 -0.275 1.449 536 HG LEU 76 HG LEU 76 2.817 -1.605 3.038 537 HD11 LEU 76 HD11 LEU 76 4.724 -2.555 1.843 538 HD12 LEU 76 HD12 LEU 76 5.806 -1.974 3.108 539 HD13 LEU 76 HD13 LEU 76 4.601 -3.206 3.478 540 HD21 LEU 76 HD21 LEU 76 3.151 -0.162 4.978 541 HD22 LEU 76 HD22 LEU 76 3.658 -1.820 5.298 542 HD23 LEU 76 HD23 LEU 76 4.867 -0.577 4.981 543 H ARG 77 H ARG 77 6.234 0.615 5.160 544 HA ARG 77 HA ARG 77 8.566 -0.566 3.821 545 HB2 ARG 77 HB2 ARG 77 10.069 0.389 5.377 546 HB3 ARG 77 HB3 ARG 77 9.015 1.703 4.883 547 HG2 ARG 77 HG2 ARG 77 8.478 0.139 7.380 548 HG3 ARG 77 HG3 ARG 77 9.620 1.481 7.358 549 HD2 ARG 77 HD2 ARG 77 6.759 1.670 6.469 550 HD3 ARG 77 HD3 ARG 77 7.326 2.111 8.081 551 HE ARG 77 HE ARG 77 7.844 3.542 5.585 552 HH11 ARG 77 HH12 ARG 77 8.328 3.267 9.046 553 HH12 ARG 77 HH11 ARG 77 8.962 4.879 9.216 554 HH21 ARG 77 HH22 ARG 77 8.707 5.681 5.810 555 HH22 ARG 77 HH21 ARG 77 9.202 6.227 7.381 556 H ALA 78 H ALA 78 9.382 -2.378 4.682 557 HA ALA 78 HA ALA 78 8.555 -3.466 7.209 558 HB1 ALA 78 HB1 ALA 78 7.576 -4.801 4.677 559 HB2 ALA 78 HB2 ALA 78 7.436 -5.456 6.308 560 HB3 ALA 78 HB3 ALA 78 6.564 -3.987 5.869 561 H ARG 79 H ARG 79 9.483 -5.757 7.427 562 HA ARG 79 HA ARG 79 12.177 -5.722 6.333 563 HB2 ARG 79 HB2 ARG 79 11.123 -7.925 8.077 564 HB3 ARG 79 HB3 ARG 79 12.754 -7.288 7.973 565 HG2 ARG 79 HG2 ARG 79 10.386 -6.078 9.368 566 HG3 ARG 79 HG3 ARG 79 11.891 -6.660 10.078 567 HD2 ARG 79 HD2 ARG 79 13.105 -4.865 8.915 568 HD3 ARG 79 HD3 ARG 79 11.571 -4.297 8.255 569 HE ARG 79 HE ARG 79 10.885 -3.892 10.608 570 HH11 ARG 79 HH12 ARG 79 14.293 -3.959 9.769 571 HH12 ARG 79 HH11 ARG 79 14.754 -2.905 11.075 572 HH21 ARG 79 HH22 ARG 79 11.473 -2.507 12.277 573 HH22 ARG 79 HH21 ARG 79 13.140 -2.047 12.487 574 H LEU 80 H LEU 80 12.536 -6.659 4.429 575 HA LEU 80 HA LEU 80 10.718 -8.779 3.552 576 HB2 LEU 80 HB2 LEU 80 12.418 -6.770 2.167 577 HB3 LEU 80 HB3 LEU 80 12.146 -8.299 1.361 578 HG LEU 80 HG LEU 80 9.857 -7.929 1.152 579 HD11 LEU 80 HD11 LEU 80 10.077 -5.682 3.119 580 HD12 LEU 80 HD12 LEU 80 8.616 -6.150 2.244 581 HD13 LEU 80 HD13 LEU 80 9.346 -7.268 3.398 582 HD21 LEU 80 HD21 LEU 80 11.052 -6.608 -0.415 583 HD22 LEU 80 HD22 LEU 80 9.658 -5.683 0.140 584 HD23 LEU 80 HD23 LEU 80 11.266 -5.315 0.767 585 H ARG 81 H ARG 81 11.331 -10.807 3.303 586 HA ARG 81 HA ARG 81 13.931 -11.605 4.214 587 HB2 ARG 81 HB2 ARG 81 12.053 -12.946 4.862 588 HB3 ARG 81 HB3 ARG 81 11.564 -13.176 3.190 589 HG2 ARG 81 HG2 ARG 81 14.267 -14.128 3.903 590 HG3 ARG 81 HG3 ARG 81 12.917 -15.004 4.616 591 HD2 ARG 81 HD2 ARG 81 11.962 -15.114 2.251 592 HD3 ARG 81 HD3 ARG 81 13.555 -14.575 1.713 593 HE ARG 81 HE ARG 81 14.478 -16.612 2.377 594 HH11 ARG 81 HH12 ARG 81 11.040 -16.518 3.064 595 HH12 ARG 81 HH11 ARG 81 10.869 -18.249 3.068 596 HH21 ARG 81 HH22 ARG 81 14.258 -18.884 2.432 597 HH22 ARG 81 HH21 ARG 81 12.702 -19.590 2.764 598 H ASP 82 H ASP 82 15.572 -12.454 3.121 599 HA ASP 82 HA ASP 82 15.506 -12.244 0.186 600 HB2 ASP 82 HB2 ASP 82 17.165 -10.794 1.227 601 HB3 ASP 82 HB3 ASP 82 17.819 -12.141 2.135 602 H CYS 83 H CYS 83 17.129 -13.855 -0.856 603 HA CYS 83 HA CYS 83 16.238 -16.452 -0.441 604 HB2 CYS 83 HB2 CYS 83 18.752 -15.411 -1.739 605 HB3 CYS 83 HB3 CYS 83 18.329 -17.121 -1.742 606 HG CYS 83 HG CYS 83 16.012 -14.942 -2.892 607 H ASN 84 H ASN 84 18.797 -14.697 1.137 608 HA ASN 84 HA ASN 84 20.193 -16.904 2.228 609 HB2 ASN 84 HB2 ASN 84 21.234 -14.724 2.160 610 HB3 ASN 84 HB3 ASN 84 19.951 -14.027 3.140 611 HD21 ASN 84 HD21 ASN 84 20.072 -14.159 5.323 612 HD22 ASN 84 HD22 ASN 84 21.397 -14.866 6.179 613 H GLY 85 H GLY 85 17.186 -15.457 2.973 614 HA2 GLY 85 HA3 GLY 85 15.527 -16.366 4.349 615 HA3 GLY 85 HA2 GLY 85 16.744 -17.384 5.119 616 H GLU 86 H GLU 86 16.795 -13.944 4.574 617 HA GLU 86 HA GLU 86 16.929 -13.501 7.479 618 HB2 GLU 86 HB2 GLU 86 18.418 -11.629 7.020 619 HB3 GLU 86 HB3 GLU 86 19.060 -13.078 6.254 620 HG2 GLU 86 HG2 GLU 86 18.252 -12.368 4.106 621 HG3 GLU 86 HG3 GLU 86 17.444 -10.981 4.827 622 H PHE 87 H PHE 87 16.779 -10.739 7.374 623 HA PHE 87 HA PHE 87 14.382 -10.054 5.886 624 HB2 PHE 87 HB2 PHE 87 13.239 -9.156 7.884 625 HB3 PHE 87 HB3 PHE 87 13.464 -10.896 7.997 626 HD1 PHE 87 HD1 PHE 87 15.239 -11.802 9.502 627 HD2 PHE 87 HD2 PHE 87 14.143 -7.688 9.489 628 HE1 PHE 87 HE1 PHE 87 16.287 -11.517 11.710 629 HE2 PHE 87 HE2 PHE 87 15.196 -7.395 11.692 630 HZ PHE 87 HZ PHE 87 16.268 -9.310 12.805 631 H HIS 88 H HIS 88 14.537 -8.106 5.099 632 HA HIS 88 HA HIS 88 16.331 -6.174 6.387 633 HB2 HIS 88 HB2 HIS 88 16.908 -7.567 4.001 634 HB3 HIS 88 HB3 HIS 88 16.471 -5.934 3.521 635 HD1 HIS 88 HD1 HIS 88 19.217 -7.922 4.912 636 HD2 HIS 88 HD2 HIS 88 18.152 -3.898 4.739 637 HE1 HIS 88 HE1 HIS 88 21.299 -6.633 5.491 638 HE2 HIS 88 HE2 HIS 88 20.684 -4.214 5.161 639 H ASP 89 H ASP 89 15.236 -4.405 6.780 640 HA ASP 89 HA ASP 89 12.626 -3.947 5.901 641 HB2 ASP 89 HB2 ASP 89 12.812 -1.756 6.956 642 HB3 ASP 89 HB3 ASP 89 13.517 -3.002 7.977 643 H ARG 90 H ARG 90 11.948 -3.486 3.949 644 HA ARG 90 HA ARG 90 13.524 -1.570 2.352 645 HB2 ARG 90 HB2 ARG 90 11.581 -3.687 1.400 646 HB3 ARG 90 HB3 ARG 90 12.446 -2.559 0.367 647 HG2 ARG 90 HG2 ARG 90 13.671 -4.707 2.079 648 HG3 ARG 90 HG3 ARG 90 13.491 -4.737 0.325 649 HD2 ARG 90 HD2 ARG 90 14.928 -2.689 0.226 650 HD3 ARG 90 HD3 ARG 90 15.218 -2.877 1.957 651 HE ARG 90 HE ARG 90 15.808 -5.165 0.254 652 HH11 ARG 90 HH12 ARG 90 17.081 -2.365 1.937 653 HH12 ARG 90 HH11 ARG 90 18.700 -3.005 2.029 654 HH21 ARG 90 HH22 ARG 90 17.912 -6.005 0.375 655 HH22 ARG 90 HH21 ARG 90 19.170 -5.078 1.150 656 H ASP 91 H ASP 91 11.870 -0.466 0.690 657 HA ASP 91 HA ASP 91 9.380 0.185 2.031 658 HB2 ASP 91 HB2 ASP 91 9.801 2.607 1.894 659 HB3 ASP 91 HB3 ASP 91 10.945 1.810 2.966 660 H VAL 92 H VAL 92 7.833 0.992 0.664 661 HA VAL 92 HA VAL 92 8.593 1.242 -2.155 662 HB VAL 92 HB VAL 92 7.801 -1.057 -1.798 663 HG11 VAL 92 HG11 VAL 92 6.261 -0.659 0.055 664 HG12 VAL 92 HG12 VAL 92 5.179 0.208 -1.036 665 HG13 VAL 92 HG13 VAL 92 5.470 -1.515 -1.271 666 HG21 VAL 92 HG21 VAL 92 7.539 -0.091 -3.952 667 HG22 VAL 92 HG22 VAL 92 6.119 -1.071 -3.590 668 HG23 VAL 92 HG23 VAL 92 6.030 0.686 -3.472 669 H ASN 93 H ASN 93 7.372 2.578 -3.353 670 HA ASN 93 HA ASN 93 5.884 4.567 -1.871 671 HB2 ASN 93 HB2 ASN 93 6.967 4.335 -4.647 672 HB3 ASN 93 HB3 ASN 93 5.690 5.500 -4.337 673 HD21 ASN 93 HD21 ASN 93 9.000 4.661 -3.795 674 HD22 ASN 93 HD22 ASN 93 9.473 6.155 -3.063 675 H LEU 94 H LEU 94 3.819 4.216 -1.412 676 HA LEU 94 HA LEU 94 2.219 2.404 -2.982 677 HB2 LEU 94 HB2 LEU 94 1.474 4.139 -0.629 678 HB3 LEU 94 HB3 LEU 94 0.421 2.949 -1.366 679 HG LEU 94 HG LEU 94 2.688 2.592 0.498 680 HD11 LEU 94 HD11 LEU 94 1.254 0.785 1.310 681 HD12 LEU 94 HD12 LEU 94 0.391 2.320 1.218 682 HD13 LEU 94 HD13 LEU 94 0.130 1.088 -0.016 683 HD21 LEU 94 HD21 LEU 94 3.509 1.452 -1.533 684 HD22 LEU 94 HD22 LEU 94 3.158 0.330 -0.216 685 HD23 LEU 94 HD23 LEU 94 2.029 0.492 -1.561 686 H ASN 95 H ASN 95 3.105 5.492 -3.485 687 HA ASN 95 HA ASN 95 0.759 6.855 -4.175 688 HB2 ASN 95 HB2 ASN 95 3.421 7.134 -5.588 689 HB3 ASN 95 HB3 ASN 95 2.139 8.335 -5.494 690 HD21 ASN 95 HD21 ASN 95 4.805 6.899 -3.953 691 HD22 ASN 95 HD22 ASN 95 4.856 7.911 -2.570 692 H ARG 96 H ARG 96 2.258 4.174 -5.623 693 HA ARG 96 HA ARG 96 1.520 4.520 -8.315 694 HB2 ARG 96 HB2 ARG 96 2.099 2.128 -6.602 695 HB3 ARG 96 HB3 ARG 96 1.514 1.915 -8.244 696 HG2 ARG 96 HG2 ARG 96 3.960 1.759 -8.054 697 HG3 ARG 96 HG3 ARG 96 3.434 3.045 -9.136 698 HD2 ARG 96 HD2 ARG 96 3.957 3.727 -6.281 699 HD3 ARG 96 HD3 ARG 96 5.336 3.416 -7.338 700 HE ARG 96 HE ARG 96 3.295 5.454 -7.952 701 HH11 ARG 96 HH12 ARG 96 6.623 4.389 -7.801 702 HH12 ARG 96 HH11 ARG 96 7.270 5.927 -8.307 703 HH21 ARG 96 HH22 ARG 96 4.129 7.462 -8.637 704 HH22 ARG 96 HH21 ARG 96 5.848 7.670 -8.781 705 H ILE 97 H ILE 97 -0.191 3.546 -5.476 706 HA ILE 97 HA ILE 97 -2.457 2.395 -6.786 707 HB ILE 97 HB ILE 97 -2.168 3.411 -3.952 708 HG12 ILE 97 HG13 ILE 97 -2.022 0.526 -4.714 709 HG13 ILE 97 3HG1 ILE 97 -0.599 1.532 -4.971 710 HG21 ILE 97 HG21 ILE 97 -4.494 3.111 -4.666 711 HG22 ILE 97 HG22 ILE 97 -4.130 1.455 -5.150 712 HG23 ILE 97 HG23 ILE 97 -4.032 1.919 -3.450 713 HD11 ILE 97 HD11 ILE 97 -2.026 1.203 -2.346 714 HD12 ILE 97 HD12 ILE 97 -0.567 0.339 -2.829 715 HD13 ILE 97 HD13 ILE 97 -0.528 2.093 -2.638 716 H GLN 98 H GLN 98 -4.223 3.369 -7.507 717 HA GLN 98 HA GLN 98 -4.627 6.202 -6.853 718 HB2 GLN 98 HB2 GLN 98 -5.706 6.276 -9.187 719 HB3 GLN 98 HB3 GLN 98 -3.955 6.308 -9.071 720 HG2 GLN 98 HG2 GLN 98 -3.856 3.954 -9.637 721 HG3 GLN 98 HG3 GLN 98 -5.618 3.875 -9.682 722 HE21 GLN 98 HE21 GLN 98 -3.592 3.358 -11.764 723 HE22 GLN 98 HE22 GLN 98 -4.037 4.387 -13.083 724 H ASN 99 H ASN 99 -6.900 6.896 -7.341 725 HA ASN 99 HA ASN 99 -8.756 4.834 -6.368 726 HB2 ASN 99 HB2 ASN 99 -8.671 6.433 -4.674 727 HB3 ASN 99 HB3 ASN 99 -8.525 7.771 -5.808 728 HD21 ASN 99 HD21 ASN 99 -10.335 8.742 -6.577 729 HD22 ASN 99 HD22 ASN 99 -11.931 8.344 -6.051 730 H VAL 100 H VAL 100 -10.266 4.204 -7.722 731 HA VAL 100 HA VAL 100 -11.049 6.025 -9.902 732 HB VAL 100 HB VAL 100 -11.261 3.008 -9.885 733 HG11 VAL 100 HG11 VAL 100 -12.940 4.121 -11.275 734 HG12 VAL 100 HG12 VAL 100 -11.664 4.999 -12.118 735 HG13 VAL 100 HG13 VAL 100 -11.767 3.245 -12.260 736 HG21 VAL 100 HG21 VAL 100 -9.252 4.802 -11.243 737 HG22 VAL 100 HG22 VAL 100 -8.933 3.666 -9.932 738 HG23 VAL 100 HG23 VAL 100 -9.415 3.068 -11.521 739 H ASN 101 H ASN 101 -12.714 7.060 -8.916 740 HA ASN 101 HA ASN 101 -14.799 7.469 -8.147 741 HB2 ASN 101 HB2 ASN 101 -15.284 6.201 -10.297 742 HB3 ASN 101 HB3 ASN 101 -15.584 4.794 -9.278 743 HD21 ASN 101 HD21 ASN 101 -17.748 4.681 -9.884 744 HD22 ASN 101 HD22 ASN 101 -18.924 5.825 -9.316 745 H GLY 102 H GLY 102 -12.936 5.881 -6.435 746 HA2 GLY 102 HA3 GLY 102 -13.508 5.645 -4.076 747 HA3 GLY 102 HA2 GLY 102 -15.019 4.911 -4.579 748 H ARG 103 H ARG 103 -12.188 3.917 -6.289 749 HA ARG 103 HA ARG 103 -11.986 1.552 -4.563 750 HB2 ARG 103 HB2 ARG 103 -12.003 0.052 -6.394 751 HB3 ARG 103 HB3 ARG 103 -13.352 1.148 -6.653 752 HG2 ARG 103 HG2 ARG 103 -11.952 2.429 -8.238 753 HG3 ARG 103 HG3 ARG 103 -10.685 1.218 -8.041 754 HD2 ARG 103 HD2 ARG 103 -12.021 0.799 -10.048 755 HD3 ARG 103 HD3 ARG 103 -12.187 -0.509 -8.875 756 HE ARG 103 HE ARG 103 -14.241 1.331 -8.424 757 HH11 ARG 103 HH12 ARG 103 -13.232 -0.907 -10.923 758 HH12 ARG 103 HH11 ARG 103 -14.855 -1.233 -11.450 759 HH21 ARG 103 HH22 ARG 103 -16.362 0.895 -9.086 760 HH22 ARG 103 HH21 ARG 103 -16.648 -0.204 -10.405 761 H LEU 104 H LEU 104 -9.988 0.890 -4.100 762 HA LEU 104 HA LEU 104 -7.749 2.472 -5.025 763 HB2 LEU 104 HB2 LEU 104 -8.367 0.734 -2.777 764 HB3 LEU 104 HB3 LEU 104 -6.770 0.423 -3.425 765 HG LEU 104 HG LEU 104 -6.073 2.675 -3.006 766 HD11 LEU 104 HD11 LEU 104 -8.153 3.796 -3.631 767 HD12 LEU 104 HD12 LEU 104 -8.904 3.230 -2.137 768 HD13 LEU 104 HD13 LEU 104 -7.549 4.360 -2.072 769 HD21 LEU 104 HD21 LEU 104 -6.363 2.806 -0.567 770 HD22 LEU 104 HD22 LEU 104 -7.626 1.580 -0.662 771 HD23 LEU 104 HD23 LEU 104 -5.968 1.173 -1.104 772 H VAL 105 H VAL 105 -6.441 1.931 -6.648 773 HA VAL 105 HA VAL 105 -6.101 -0.921 -7.272 774 HB VAL 105 HB VAL 105 -7.715 -0.137 -8.900 775 HG11 VAL 105 HG11 VAL 105 -7.267 2.248 -8.799 776 HG12 VAL 105 HG12 VAL 105 -5.722 2.005 -9.612 777 HG13 VAL 105 HG13 VAL 105 -7.228 1.668 -10.464 778 HG21 VAL 105 HG21 VAL 105 -6.093 -1.730 -9.707 779 HG22 VAL 105 HG22 VAL 105 -6.482 -0.581 -10.987 780 HG23 VAL 105 HG23 VAL 105 -4.966 -0.431 -10.099 781 H PHE 106 H PHE 106 -4.029 -1.492 -7.625 782 HA PHE 106 HA PHE 106 -2.008 0.502 -7.155 783 HB2 PHE 106 HB2 PHE 106 -0.480 -1.288 -6.911 784 HB3 PHE 106 HB3 PHE 106 -1.992 -1.875 -6.230 785 HD1 PHE 106 HD1 PHE 106 -3.543 -3.024 -8.185 786 HD2 PHE 106 HD2 PHE 106 0.706 -2.816 -8.105 787 HE1 PHE 106 HE1 PHE 106 -3.420 -4.990 -9.656 788 HE2 PHE 106 HE2 PHE 106 0.833 -4.782 -9.577 789 HZ PHE 106 HZ PHE 106 -1.230 -5.871 -10.356 790 H GLN 107 H GLN 107 -0.501 1.258 -8.528 791 HA GLN 107 HA GLN 107 -0.001 2.284 -10.503 792 HB2 GLN 107 HB2 GLN 107 1.318 0.795 -11.961 793 HB3 GLN 107 HB3 GLN 107 1.729 0.657 -10.262 794 HG2 GLN 107 HG2 GLN 107 0.506 -1.424 -10.106 795 HG3 GLN 107 HG3 GLN 107 -0.004 -1.272 -11.788 796 HE21 GLN 107 HE21 GLN 107 1.512 -3.400 -10.552 797 HE22 GLN 107 HE22 GLN 107 3.024 -3.481 -11.388 Start of MODEL 20 1 H MET 1 H MET 1 -3.096 11.444 -10.477 2 HA MET 1 HA MET 1 -1.029 11.949 -9.409 3 HB2 MET 1 HB2 MET 1 -1.698 13.843 -8.070 4 HB3 MET 1 HB3 MET 1 -2.812 12.855 -7.138 5 HG2 MET 1 HG2 MET 1 -0.796 13.368 -5.879 6 HG3 MET 1 HG3 MET 1 -0.956 11.637 -6.161 7 HE1 MET 1 HE1 MET 1 1.723 12.830 -5.136 8 HE2 MET 1 HE2 MET 1 1.542 11.128 -5.565 9 HE3 MET 1 HE3 MET 1 2.905 12.056 -6.191 10 H SER 2 H SER 2 -3.111 10.983 -6.727 11 HA SER 2 HA SER 2 -2.833 8.167 -7.289 12 HB2 SER 2 HB2 SER 2 -1.566 9.238 -4.756 13 HB3 SER 2 HB3 SER 2 -1.534 7.580 -5.355 14 HG SER 2 HG SER 2 -0.269 8.338 -7.118 15 H TYR 3 H TYR 3 -3.582 7.009 -5.022 16 HA TYR 3 HA TYR 3 -6.239 7.934 -4.633 17 HB2 TYR 3 HB2 TYR 3 -6.550 6.050 -3.257 18 HB3 TYR 3 HB3 TYR 3 -5.324 5.531 -4.405 19 HD1 TYR 3 HD2 TYR 3 -2.841 5.759 -3.600 20 HD2 TYR 3 HD1 TYR 3 -6.200 5.760 -0.997 21 HE1 TYR 3 HE2 TYR 3 -1.376 5.143 -1.722 22 HE2 TYR 3 HE1 TYR 3 -4.759 5.154 0.890 23 HH TYR 3 HH TYR 3 -2.545 4.017 1.224 24 H ALA 4 H ALA 4 -3.256 8.246 -2.847 25 HA ALA 4 HA ALA 4 -4.138 9.181 -0.395 26 HB1 ALA 4 HB1 ALA 4 -1.611 9.969 -1.837 27 HB2 ALA 4 HB2 ALA 4 -1.912 10.101 -0.104 28 HB3 ALA 4 HB3 ALA 4 -1.831 8.513 -0.866 29 H ASP 5 H ASP 5 -4.060 10.811 -3.439 30 HA ASP 5 HA ASP 5 -3.937 13.482 -2.678 31 HB2 ASP 5 HB2 ASP 5 -3.867 12.920 -5.011 32 HB3 ASP 5 HB3 ASP 5 -5.451 12.158 -4.934 33 H SER 6 H SER 6 -6.569 11.196 -2.505 34 HA SER 6 HA SER 6 -8.110 13.173 -0.990 35 HB2 SER 6 HB2 SER 6 -9.253 11.419 -3.176 36 HB3 SER 6 HB3 SER 6 -10.188 12.472 -2.115 37 HG SER 6 HG SER 6 -8.074 13.622 -3.540 38 H SER 7 H SER 7 -6.515 11.044 0.013 39 HA SER 7 HA SER 7 -8.606 9.224 1.010 40 HB2 SER 7 HB2 SER 7 -5.670 8.690 0.572 41 HB3 SER 7 HB3 SER 7 -6.738 7.609 1.467 42 HG SER 7 HG SER 7 -7.035 8.423 -1.238 43 H ARG 8 H ARG 8 -8.472 8.509 3.147 44 HA ARG 8 HA ARG 8 -6.733 9.900 5.009 45 HB2 ARG 8 HB2 ARG 8 -8.329 11.126 6.105 46 HB3 ARG 8 HB3 ARG 8 -9.063 11.141 4.508 47 HG2 ARG 8 HG2 ARG 8 -10.086 8.847 5.573 48 HG3 ARG 8 HG3 ARG 8 -9.972 9.891 6.989 49 HD2 ARG 8 HD2 ARG 8 -12.092 10.360 6.166 50 HD3 ARG 8 HD3 ARG 8 -11.114 11.656 5.479 51 HE ARG 8 HE ARG 8 -11.096 10.428 3.385 52 HH11 ARG 8 HH12 ARG 8 -13.425 9.385 5.787 53 HH12 ARG 8 HH11 ARG 8 -14.448 8.590 4.624 54 HH21 ARG 8 HH22 ARG 8 -12.438 9.418 1.873 55 HH22 ARG 8 HH21 ARG 8 -13.884 8.615 2.397 56 H ASN 9 H ASN 9 -7.049 8.984 7.229 57 HA ASN 9 HA ASN 9 -7.014 7.194 8.615 58 HB2 ASN 9 HB2 ASN 9 -9.574 6.725 7.111 59 HB3 ASN 9 HB3 ASN 9 -9.046 5.634 8.390 60 HD21 ASN 9 HD21 ASN 9 -11.372 7.402 8.221 61 HD22 ASN 9 HD22 ASN 9 -11.269 8.426 9.624 62 H ALA 10 H ALA 10 -5.510 6.971 6.176 63 HA ALA 10 HA ALA 10 -5.795 4.302 5.187 64 HB1 ALA 10 HB1 ALA 10 -4.833 6.226 3.890 65 HB2 ALA 10 HB2 ALA 10 -3.401 6.111 4.908 66 HB3 ALA 10 HB3 ALA 10 -3.857 4.760 3.870 67 H VAL 11 H VAL 11 -5.326 2.589 6.359 68 HA VAL 11 HA VAL 11 -2.903 2.557 8.013 69 HB VAL 11 HB VAL 11 -5.585 1.583 9.038 70 HG11 VAL 11 HG11 VAL 11 -4.408 1.339 11.185 71 HG12 VAL 11 HG12 VAL 11 -3.727 0.310 9.923 72 HG13 VAL 11 HG13 VAL 11 -2.900 1.797 10.392 73 HG21 VAL 11 HG21 VAL 11 -5.592 4.013 8.982 74 HG22 VAL 11 HG22 VAL 11 -5.494 3.436 10.644 75 HG23 VAL 11 HG23 VAL 11 -4.052 4.055 9.840 76 H LEU 12 H LEU 12 -2.020 0.468 8.261 77 HA LEU 12 HA LEU 12 -2.908 -1.427 6.255 78 HB2 LEU 12 HB2 LEU 12 -0.425 -0.777 7.406 79 HB3 LEU 12 HB3 LEU 12 -0.777 -2.413 7.919 80 HG LEU 12 HG LEU 12 -0.950 -3.171 5.654 81 HD11 LEU 12 HD11 LEU 12 -0.613 -0.278 4.872 82 HD12 LEU 12 HD12 LEU 12 -0.599 -1.642 3.755 83 HD13 LEU 12 HD13 LEU 12 -2.062 -1.261 4.663 84 HD21 LEU 12 HD21 LEU 12 1.296 -3.016 6.570 85 HD22 LEU 12 HD22 LEU 12 1.301 -2.696 4.837 86 HD23 LEU 12 HD23 LEU 12 1.433 -1.360 5.979 87 H THR 13 H THR 13 -3.930 -3.251 6.629 88 HA THR 13 HA THR 13 -4.569 -3.991 9.404 89 HB THR 13 HB THR 13 -6.323 -4.440 6.977 90 HG1 THR 13 HG1 THR 13 -5.823 -2.142 8.320 91 HG21 THR 13 HG21 THR 13 -8.096 -4.755 8.618 92 HG22 THR 13 HG22 THR 13 -6.965 -4.427 9.931 93 HG23 THR 13 HG23 THR 13 -6.766 -5.869 8.935 94 H ASN 14 H ASN 14 -5.133 -6.319 9.626 95 HA ASN 14 HA ASN 14 -4.796 -8.548 9.346 96 HB2 ASN 14 HB2 ASN 14 -5.154 -7.633 6.755 97 HB3 ASN 14 HB3 ASN 14 -3.653 -8.551 6.669 98 HD21 ASN 14 HD21 ASN 14 -6.225 -9.155 5.501 99 HD22 ASN 14 HD22 ASN 14 -6.708 -10.690 6.140 100 H GLY 15 H GLY 15 -2.550 -6.355 9.624 101 HA2 GLY 15 HA3 GLY 15 -0.467 -6.735 10.684 102 HA3 GLY 15 HA2 GLY 15 -0.417 -8.331 9.951 103 H GLY 16 H GLY 16 -1.392 -5.904 7.830 104 HA2 GLY 16 HA3 GLY 16 0.042 -4.446 6.527 105 HA3 GLY 16 HA2 GLY 16 1.348 -5.597 6.785 106 H ARG 17 H ARG 17 -1.758 -6.859 6.158 107 HA ARG 17 HA ARG 17 -0.859 -7.700 3.503 108 HB2 ARG 17 HB2 ARG 17 -3.135 -8.970 4.995 109 HB3 ARG 17 HB3 ARG 17 -2.094 -9.672 3.765 110 HG2 ARG 17 HG2 ARG 17 -0.216 -9.452 5.493 111 HG3 ARG 17 HG3 ARG 17 -1.494 -9.165 6.658 112 HD2 ARG 17 HD2 ARG 17 -0.689 -11.551 6.462 113 HD3 ARG 17 HD3 ARG 17 -2.429 -11.298 6.342 114 HE ARG 17 HE ARG 17 -1.043 -11.375 3.802 115 HH11 ARG 17 HH12 ARG 17 -2.461 -13.330 6.322 116 HH12 ARG 17 HH11 ARG 17 -3.067 -14.550 5.234 117 HH21 ARG 17 HH22 ARG 17 -1.853 -12.965 2.326 118 HH22 ARG 17 HH21 ARG 17 -2.702 -14.349 2.960 119 H THR 18 H THR 18 -3.123 -5.743 5.124 120 HA THR 18 HA THR 18 -4.660 -5.453 2.631 121 HB THR 18 HB THR 18 -5.838 -5.292 5.411 122 HG1 THR 18 HG1 THR 18 -6.052 -7.385 3.463 123 HG21 THR 18 HG21 THR 18 -7.134 -5.320 2.683 124 HG22 THR 18 HG22 THR 18 -6.997 -3.924 3.753 125 HG23 THR 18 HG23 THR 18 -7.988 -5.305 4.226 126 H LEU 19 H LEU 19 -4.489 -3.441 1.869 127 HA LEU 19 HA LEU 19 -3.769 -1.259 3.650 128 HB2 LEU 19 HB2 LEU 19 -2.542 -1.424 1.577 129 HB3 LEU 19 HB3 LEU 19 -4.028 -1.449 0.650 130 HG LEU 19 HG LEU 19 -4.482 0.876 1.366 131 HD11 LEU 19 HD11 LEU 19 -3.254 0.885 3.459 132 HD12 LEU 19 HD12 LEU 19 -1.734 0.688 2.586 133 HD13 LEU 19 HD13 LEU 19 -2.671 2.168 2.395 134 HD21 LEU 19 HD21 LEU 19 -3.418 0.445 -0.761 135 HD22 LEU 19 HD22 LEU 19 -2.736 1.901 -0.035 136 HD23 LEU 19 HD23 LEU 19 -1.834 0.384 0.012 137 H ARG 20 H ARG 20 -5.471 -0.462 4.723 138 HA ARG 20 HA ARG 20 -8.020 -0.112 3.311 139 HB2 ARG 20 HB2 ARG 20 -7.753 -1.280 5.621 140 HB3 ARG 20 HB3 ARG 20 -7.544 0.342 6.255 141 HG2 ARG 20 HG2 ARG 20 -9.967 -0.600 4.740 142 HG3 ARG 20 HG3 ARG 20 -9.834 -0.548 6.495 143 HD2 ARG 20 HD2 ARG 20 -9.732 1.791 4.596 144 HD3 ARG 20 HD3 ARG 20 -11.036 1.387 5.709 145 HE ARG 20 HE ARG 20 -8.468 2.593 6.375 146 HH11 ARG 20 HH12 ARG 20 -11.448 1.161 7.526 147 HH12 ARG 20 HH11 ARG 20 -11.363 1.921 9.086 148 HH21 ARG 20 HH22 ARG 20 -8.363 3.620 8.403 149 HH22 ARG 20 HH21 ARG 20 -9.615 3.345 9.580 150 H ALA 21 H ALA 21 -8.556 1.846 2.589 151 HA ALA 21 HA ALA 21 -7.653 4.224 4.016 152 HB1 ALA 21 HB1 ALA 21 -7.133 3.836 1.072 153 HB2 ALA 21 HB2 ALA 21 -6.805 5.295 2.005 154 HB3 ALA 21 HB3 ALA 21 -5.909 3.813 2.341 155 H GLU 22 H GLU 22 -9.086 5.897 3.896 156 HA GLU 22 HA GLU 22 -11.567 5.320 2.455 157 HB2 GLU 22 HB2 GLU 22 -11.173 7.564 4.411 158 HB3 GLU 22 HB3 GLU 22 -12.668 6.767 3.946 159 HG2 GLU 22 HG2 GLU 22 -11.547 4.675 5.025 160 HG3 GLU 22 HG3 GLU 22 -10.558 5.888 5.843 161 H CYS 23 H CYS 23 -11.713 6.188 0.491 162 HA CYS 23 HA CYS 23 -10.521 8.843 0.044 163 HB2 CYS 23 HB2 CYS 23 -10.186 7.994 -2.341 164 HB3 CYS 23 HB3 CYS 23 -9.115 7.352 -1.099 165 HG CYS 23 HG CYS 23 -10.968 5.720 -3.199 166 H ARG 24 H ARG 24 -11.610 10.267 -1.254 167 HA ARG 24 HA ARG 24 -14.449 9.884 -1.497 168 HB2 ARG 24 HB2 ARG 24 -14.375 12.113 -1.284 169 HB3 ARG 24 HB3 ARG 24 -12.627 12.104 -1.456 170 HG2 ARG 24 HG2 ARG 24 -14.412 12.024 -3.859 171 HG3 ARG 24 HG3 ARG 24 -14.040 13.545 -3.048 172 HD2 ARG 24 HD2 ARG 24 -11.870 13.532 -3.726 173 HD3 ARG 24 HD3 ARG 24 -11.758 11.773 -3.694 174 HE ARG 24 HE ARG 24 -13.444 12.268 -5.764 175 HH11 ARG 24 HH12 ARG 24 -10.197 13.318 -4.925 176 HH12 ARG 24 HH11 ARG 24 -9.707 13.546 -6.578 177 HH21 ARG 24 HH22 ARG 24 -12.798 12.618 -7.948 178 HH22 ARG 24 HH21 ARG 24 -11.190 13.178 -8.288 179 H ASN 25 H ASN 25 -15.641 9.672 -3.421 180 HA ASN 25 HA ASN 25 -14.060 8.573 -5.618 181 HB2 ASN 25 HB2 ASN 25 -16.044 7.538 -6.410 182 HB3 ASN 25 HB3 ASN 25 -16.011 7.332 -4.672 183 HD21 ASN 25 HD21 ASN 25 -17.521 8.445 -3.397 184 HD22 ASN 25 HD22 ASN 25 -18.950 9.123 -4.099 185 H ALA 26 H ALA 26 -15.616 8.991 -7.821 186 HA ALA 26 HA ALA 26 -14.763 11.514 -8.684 187 HB1 ALA 26 HB1 ALA 26 -16.925 9.792 -9.882 188 HB2 ALA 26 HB2 ALA 26 -16.060 11.097 -10.693 189 HB3 ALA 26 HB3 ALA 26 -15.196 9.643 -10.196 190 H ASP 27 H ASP 27 -17.771 10.465 -7.268 191 HA ASP 27 HA ASP 27 -19.321 12.764 -7.903 192 HB2 ASP 27 HB2 ASP 27 -20.391 10.676 -7.313 193 HB3 ASP 27 HB3 ASP 27 -19.592 10.659 -5.748 194 H GLY 28 H GLY 28 -16.949 12.078 -5.492 195 HA2 GLY 28 HA3 GLY 28 -15.906 13.815 -4.234 196 HA3 GLY 28 HA2 GLY 28 -17.409 14.731 -4.312 197 H ASN 29 H ASN 29 -18.146 11.577 -3.733 198 HA ASN 29 HA ASN 29 -18.700 12.119 -0.929 199 HB2 ASN 29 HB2 ASN 29 -19.834 10.415 -2.995 200 HB3 ASN 29 HB3 ASN 29 -19.535 9.516 -1.511 201 HD21 ASN 29 HD21 ASN 29 -21.397 11.991 -3.051 202 HD22 ASN 29 HD22 ASN 29 -22.518 12.247 -1.740 203 H TRP 30 H TRP 30 -17.865 10.962 0.761 204 HA TRP 30 HA TRP 30 -15.273 9.833 0.342 205 HB2 TRP 30 HB2 TRP 30 -16.995 10.276 2.771 206 HB3 TRP 30 HB3 TRP 30 -15.451 9.435 2.871 207 HD1 TRP 30 HD1 TRP 30 -14.947 11.951 0.319 208 HE1 TRP 30 HE1 TRP 30 -13.815 14.061 1.260 209 HE3 TRP 30 HE3 TRP 30 -15.672 11.090 5.315 210 HZ2 TRP 30 HZ2 TRP 30 -13.298 15.200 3.791 211 HZ3 TRP 30 HZ3 TRP 30 -14.824 12.744 6.926 212 HH2 TRP 30 HH2 TRP 30 -13.664 14.754 6.180 213 H VAL 31 H VAL 31 -14.742 7.799 0.016 214 HA VAL 31 HA VAL 31 -16.685 5.673 0.673 215 HB VAL 31 HB VAL 31 -14.719 5.482 -1.594 216 HG11 VAL 31 HG11 VAL 31 -17.314 4.073 -1.021 217 HG12 VAL 31 HG12 VAL 31 -16.295 3.808 -2.436 218 HG13 VAL 31 HG13 VAL 31 -15.692 3.410 -0.827 219 HG21 VAL 31 HG21 VAL 31 -16.020 7.449 -2.091 220 HG22 VAL 31 HG22 VAL 31 -16.513 6.126 -3.150 221 HG23 VAL 31 HG23 VAL 31 -17.520 6.574 -1.772 222 H THR 32 H THR 32 -15.861 3.923 1.757 223 HA THR 32 HA THR 32 -13.028 4.049 2.479 224 HB THR 32 HB THR 32 -15.168 2.195 3.550 225 HG1 THR 32 HG1 THR 32 -14.266 4.293 5.133 226 HG21 THR 32 HG21 THR 32 -12.465 2.985 4.650 227 HG22 THR 32 HG22 THR 32 -12.867 1.427 3.925 228 HG23 THR 32 HG23 THR 32 -13.631 1.919 5.436 229 H SER 33 H SER 33 -11.679 3.027 1.112 230 HA SER 33 HA SER 33 -12.606 0.530 -0.146 231 HB2 SER 33 HB2 SER 33 -12.034 2.477 -1.664 232 HB3 SER 33 HB3 SER 33 -10.368 2.301 -1.121 233 HG SER 33 HG SER 33 -11.726 0.052 -2.106 234 H GLU 34 H GLU 34 -11.147 -1.191 -0.313 235 HA GLU 34 HA GLU 34 -8.757 -1.071 1.378 236 HB2 GLU 34 HB2 GLU 34 -10.545 -3.483 1.417 237 HB3 GLU 34 HB3 GLU 34 -9.329 -2.991 2.589 238 HG2 GLU 34 HG2 GLU 34 -10.800 -1.087 3.210 239 HG3 GLU 34 HG3 GLU 34 -12.030 -1.754 2.146 240 H LEU 35 H LEU 35 -7.028 -2.039 0.469 241 HA LEU 35 HA LEU 35 -7.493 -3.956 -1.721 242 HB2 LEU 35 HB2 LEU 35 -6.685 -1.500 -2.335 243 HB3 LEU 35 HB3 LEU 35 -5.128 -2.123 -1.833 244 HG LEU 35 HG LEU 35 -6.834 -3.057 -4.137 245 HD11 LEU 35 HD11 LEU 35 -4.035 -1.969 -3.974 246 HD12 LEU 35 HD12 LEU 35 -4.863 -2.482 -5.444 247 HD13 LEU 35 HD13 LEU 35 -5.464 -1.097 -4.531 248 HD21 LEU 35 HD21 LEU 35 -5.169 -4.774 -4.593 249 HD22 LEU 35 HD22 LEU 35 -4.299 -4.348 -3.120 250 HD23 LEU 35 HD23 LEU 35 -5.918 -5.043 -3.021 251 H ASP 36 H ASP 36 -6.696 -5.816 -1.148 252 HA ASP 36 HA ASP 36 -4.915 -6.162 1.019 253 HB2 ASP 36 HB2 ASP 36 -6.021 -7.957 -1.118 254 HB3 ASP 36 HB3 ASP 36 -4.803 -8.536 0.002 255 H LEU 37 H LEU 37 -2.913 -5.491 0.935 256 HA LEU 37 HA LEU 37 -1.377 -4.997 -1.342 257 HB2 LEU 37 HB2 LEU 37 -0.491 -5.669 1.454 258 HB3 LEU 37 HB3 LEU 37 0.548 -5.010 0.199 259 HG LEU 37 HG LEU 37 -1.736 -3.680 1.575 260 HD11 LEU 37 HD11 LEU 37 0.395 -3.803 2.707 261 HD12 LEU 37 HD12 LEU 37 1.169 -3.042 1.319 262 HD13 LEU 37 HD13 LEU 37 -0.020 -2.143 2.267 263 HD21 LEU 37 HD21 LEU 37 -1.877 -3.156 -0.796 264 HD22 LEU 37 HD22 LEU 37 -1.337 -1.754 0.128 265 HD23 LEU 37 HD23 LEU 37 -0.172 -2.697 -0.803 266 H ASP 38 H ASP 38 -1.420 -7.713 0.874 267 HA ASP 38 HA ASP 38 0.649 -9.177 -0.330 268 HB2 ASP 38 HB2 ASP 38 0.127 -10.919 1.095 269 HB3 ASP 38 HB3 ASP 38 -0.531 -9.538 1.968 270 H THR 39 H THR 39 -2.249 -8.340 -1.661 271 HA THR 39 HA THR 39 -2.442 -10.853 -3.167 272 HB THR 39 HB THR 39 -4.461 -9.468 -2.044 273 HG1 THR 39 HG1 THR 39 -4.776 -11.505 -2.839 274 HG21 THR 39 HG21 THR 39 -4.222 -7.548 -3.540 275 HG22 THR 39 HG22 THR 39 -5.762 -8.370 -3.801 276 HG23 THR 39 HG23 THR 39 -4.432 -8.605 -4.936 277 H ILE 40 H ILE 40 -1.146 -7.758 -3.402 278 HA ILE 40 HA ILE 40 -0.679 -8.145 -6.264 279 HB ILE 40 HB ILE 40 -1.079 -5.677 -6.664 280 HG12 ILE 40 HG13 ILE 40 -3.019 -4.902 -5.006 281 HG13 ILE 40 3HG1 ILE 40 -2.136 -5.935 -3.892 282 HG21 ILE 40 HG21 ILE 40 -3.450 -7.412 -5.998 283 HG22 ILE 40 HG22 ILE 40 -3.491 -5.962 -7.000 284 HG23 ILE 40 HG23 ILE 40 -2.572 -7.372 -7.527 285 HD11 ILE 40 HD11 ILE 40 -1.441 -3.635 -3.672 286 HD12 ILE 40 HD12 ILE 40 -0.117 -4.622 -4.292 287 HD13 ILE 40 HD13 ILE 40 -1.023 -3.577 -5.386 288 H ILE 41 H ILE 41 0.748 -7.956 -3.493 289 HA ILE 41 HA ILE 41 2.982 -6.310 -4.489 290 HB ILE 41 HB ILE 41 1.987 -6.534 -1.651 291 HG12 ILE 41 HG13 ILE 41 1.868 -4.435 -3.766 292 HG13 ILE 41 3HG1 ILE 41 0.664 -4.900 -2.571 293 HG21 ILE 41 HG21 ILE 41 4.418 -6.553 -1.667 294 HG22 ILE 41 HG22 ILE 41 4.436 -5.096 -2.662 295 HG23 ILE 41 HG23 ILE 41 3.796 -5.034 -1.016 296 HD11 ILE 41 HD11 ILE 41 1.911 -3.763 -0.835 297 HD12 ILE 41 HD12 ILE 41 3.162 -3.335 -2.003 298 HD13 ILE 41 HD13 ILE 41 1.538 -2.663 -2.163 299 H GLY 42 H GLY 42 4.926 -7.306 -4.483 300 HA2 GLY 42 HA3 GLY 42 5.091 -9.904 -3.081 301 HA3 GLY 42 HA2 GLY 42 5.681 -9.702 -4.722 302 H ASN 43 H ASN 43 7.230 -10.645 -2.598 303 HA ASN 43 HA ASN 43 9.108 -8.424 -2.170 304 HB2 ASN 43 HB2 ASN 43 8.412 -9.141 -0.026 305 HB3 ASN 43 HB3 ASN 43 8.490 -10.838 -0.474 306 HD21 ASN 43 HD21 ASN 43 9.771 -11.297 1.288 307 HD22 ASN 43 HD22 ASN 43 11.458 -10.887 1.332 308 H ASN 44 H ASN 44 10.654 -8.527 -3.646 309 HA ASN 44 HA ASN 44 11.626 -11.153 -4.524 310 HB2 ASN 44 HB2 ASN 44 10.964 -9.480 -6.251 311 HB3 ASN 44 HB3 ASN 44 12.244 -8.420 -5.672 312 HD21 ASN 44 HD21 ASN 44 13.309 -8.431 -7.641 313 HD22 ASN 44 HD22 ASN 44 14.171 -9.818 -8.224 314 H ASP 45 H ASP 45 12.788 -11.629 -2.618 315 HA ASP 45 HA ASP 45 14.577 -11.699 -1.210 316 HB2 ASP 45 HB2 ASP 45 15.820 -10.879 -3.820 317 HB3 ASP 45 HB3 ASP 45 16.809 -11.110 -2.381 318 H GLY 46 H GLY 46 13.152 -9.444 -0.648 319 HA2 GLY 46 HA3 GLY 46 13.605 -7.635 0.759 320 HA3 GLY 46 HA2 GLY 46 15.293 -7.707 0.274 321 H HIS 47 H HIS 47 12.413 -7.494 -1.763 322 HA HIS 47 HA HIS 47 12.796 -4.695 -2.287 323 HB2 HIS 47 HB2 HIS 47 14.556 -5.789 -3.716 324 HB3 HIS 47 HB3 HIS 47 13.264 -6.629 -4.569 325 HD1 HIS 47 HD1 HIS 47 13.541 -5.504 -6.826 326 HD2 HIS 47 HD2 HIS 47 13.127 -2.794 -3.698 327 HE1 HIS 47 HE1 HIS 47 13.250 -3.253 -7.909 328 HE2 HIS 47 HE2 HIS 47 13.261 -1.613 -5.992 329 H PHE 48 H PHE 48 10.750 -4.022 -2.265 330 HA PHE 48 HA PHE 48 8.518 -5.662 -2.661 331 HB2 PHE 48 HB2 PHE 48 8.813 -2.665 -2.773 332 HB3 PHE 48 HB3 PHE 48 7.259 -3.476 -2.946 333 HD1 PHE 48 HD1 PHE 48 6.678 -5.167 -1.024 334 HD2 PHE 48 HD2 PHE 48 9.501 -2.000 -0.686 335 HE1 PHE 48 HE1 PHE 48 6.438 -5.218 1.424 336 HE2 PHE 48 HE2 PHE 48 9.270 -2.053 1.762 337 HZ PHE 48 HZ PHE 48 7.739 -3.661 2.819 338 H GLN 49 H GLN 49 7.254 -6.123 -4.344 339 HA GLN 49 HA GLN 49 7.929 -4.964 -6.947 340 HB2 GLN 49 HB2 GLN 49 8.977 -7.048 -7.086 341 HB3 GLN 49 HB3 GLN 49 7.723 -7.849 -6.152 342 HG2 GLN 49 HG2 GLN 49 6.285 -7.987 -7.956 343 HG3 GLN 49 HG3 GLN 49 7.101 -6.699 -8.838 344 HE21 GLN 49 HE21 GLN 49 7.206 -10.062 -7.909 345 HE22 GLN 49 HE22 GLN 49 8.369 -10.547 -9.098 346 H TRP 50 H TRP 50 6.213 -3.945 -7.688 347 HA TRP 50 HA TRP 50 3.592 -4.374 -6.674 348 HB2 TRP 50 HB2 TRP 50 4.655 -2.770 -9.004 349 HB3 TRP 50 HB3 TRP 50 2.934 -2.858 -8.638 350 HD1 TRP 50 HD1 TRP 50 5.952 -0.881 -7.816 351 HE1 TRP 50 HE1 TRP 50 5.463 0.713 -5.843 352 HE3 TRP 50 HE3 TRP 50 1.528 -2.888 -6.230 353 HZ2 TRP 50 HZ2 TRP 50 3.474 1.052 -3.880 354 HZ3 TRP 50 HZ3 TRP 50 0.399 -1.873 -4.300 355 HH2 TRP 50 HH2 TRP 50 1.348 0.056 -3.154 356 H GLY 51 H GLY 51 2.384 -6.046 -7.116 357 HA2 GLY 51 HA3 GLY 51 1.009 -7.275 -8.623 358 HA3 GLY 51 HA2 GLY 51 2.202 -7.009 -9.886 359 H GLY 52 H GLY 52 3.038 -8.067 -6.646 360 HA2 GLY 52 HA3 GLY 52 4.017 -10.573 -7.831 361 HA3 GLY 52 HA2 GLY 52 4.618 -9.842 -6.352 362 H GLN 53 H GLN 53 2.452 -9.436 -4.849 363 HA GLN 53 HA GLN 53 0.902 -10.347 -3.489 364 HB2 GLN 53 HB2 GLN 53 -0.517 -11.001 -5.206 365 HB3 GLN 53 HB3 GLN 53 0.605 -12.211 -5.822 366 HG2 GLN 53 HG2 GLN 53 0.150 -13.577 -3.809 367 HG3 GLN 53 HG3 GLN 53 -1.027 -12.370 -3.296 368 HE21 GLN 53 HE21 GLN 53 -1.398 -15.187 -3.911 369 HE22 GLN 53 HE22 GLN 53 -2.581 -15.259 -5.175 370 H ASN 54 H ASN 54 0.823 -11.766 -1.776 371 HA ASN 54 HA ASN 54 1.527 -13.275 -0.240 372 HB2 ASN 54 HB2 ASN 54 2.843 -14.482 -2.652 373 HB3 ASN 54 HB3 ASN 54 3.200 -15.097 -1.045 374 HD21 ASN 54 HD21 ASN 54 2.314 -17.072 -1.437 375 HD22 ASN 54 HD22 ASN 54 0.608 -17.339 -1.610 376 H PHE 55 H PHE 55 2.878 -10.761 -0.758 377 HA PHE 55 HA PHE 55 5.681 -11.213 -0.340 378 HB2 PHE 55 HB2 PHE 55 5.963 -8.923 -0.480 379 HB3 PHE 55 HB3 PHE 55 4.472 -9.118 -1.388 380 HD1 PHE 55 HD2 PHE 55 2.290 -8.596 -0.266 381 HD2 PHE 55 HD1 PHE 55 6.052 -7.599 1.454 382 HE1 PHE 55 HE2 PHE 55 1.183 -6.956 1.194 383 HE2 PHE 55 HE1 PHE 55 4.951 -5.959 2.921 384 HZ PHE 55 HZ PHE 55 2.514 -5.634 2.791 385 H THR 56 H THR 56 2.875 -10.711 1.630 386 HA THR 56 HA THR 56 4.098 -9.999 4.044 387 HB THR 56 HB THR 56 1.968 -10.938 5.060 388 HG1 THR 56 HG1 THR 56 1.298 -12.452 3.591 389 HG21 THR 56 HG21 THR 56 2.085 -8.613 4.562 390 HG22 THR 56 HG22 THR 56 0.548 -9.193 3.920 391 HG23 THR 56 HG23 THR 56 1.905 -8.912 2.834 392 H GLU 57 H GLU 57 3.615 -13.110 2.515 393 HA GLU 57 HA GLU 57 4.132 -14.689 4.806 394 HB2 GLU 57 HB2 GLU 57 4.073 -16.524 3.399 395 HB3 GLU 57 HB3 GLU 57 3.132 -15.350 2.493 396 HG2 GLU 57 HG2 GLU 57 4.919 -14.942 1.001 397 HG3 GLU 57 HG3 GLU 57 6.042 -15.855 2.010 398 H THR 58 H THR 58 6.129 -12.750 2.899 399 HA THR 58 HA THR 58 8.536 -14.021 4.020 400 HB THR 58 HB THR 58 9.766 -13.231 2.025 401 HG1 THR 58 HG1 THR 58 7.446 -11.888 1.609 402 HG21 THR 58 HG21 THR 58 8.849 -15.511 2.053 403 HG22 THR 58 HG22 THR 58 8.846 -14.836 0.422 404 HG23 THR 58 HG23 THR 58 7.347 -14.909 1.350 405 H ALA 59 H ALA 59 6.591 -11.619 4.566 406 HA ALA 59 HA ALA 59 8.739 -9.674 5.062 407 HB1 ALA 59 HB1 ALA 59 7.183 -7.863 4.713 408 HB2 ALA 59 HB2 ALA 59 7.226 -8.897 3.285 409 HB3 ALA 59 HB3 ALA 59 5.873 -9.007 4.411 410 H GLU 60 H GLU 60 8.673 -8.534 6.960 411 HA GLU 60 HA GLU 60 6.661 -9.306 8.949 412 HB2 GLU 60 HB2 GLU 60 9.212 -9.092 10.231 413 HB3 GLU 60 HB3 GLU 60 8.122 -10.472 10.186 414 HG2 GLU 60 HG2 GLU 60 9.116 -11.091 7.988 415 HG3 GLU 60 HG3 GLU 60 10.297 -9.802 8.214 416 H ASP 61 H ASP 61 6.838 -7.838 10.902 417 HA ASP 61 HA ASP 61 6.614 -5.705 11.712 418 HB2 ASP 61 HB2 ASP 61 9.243 -6.239 11.457 419 HB3 ASP 61 HB3 ASP 61 9.124 -4.866 10.374 420 H ILE 62 H ILE 62 5.004 -5.810 9.656 421 HA ILE 62 HA ILE 62 5.723 -3.843 7.647 422 HB ILE 62 HB ILE 62 3.021 -5.132 7.862 423 HG12 ILE 62 HG13 ILE 62 5.617 -6.359 6.916 424 HG13 ILE 62 3HG1 ILE 62 4.482 -7.005 8.090 425 HG21 ILE 62 HG21 ILE 62 3.163 -4.967 5.395 426 HG22 ILE 62 HG22 ILE 62 3.286 -3.403 6.198 427 HG23 ILE 62 HG23 ILE 62 4.733 -4.184 5.564 428 HD11 ILE 62 HD11 ILE 62 4.005 -6.739 5.134 429 HD12 ILE 62 HD12 ILE 62 4.378 -8.227 6.005 430 HD13 ILE 62 HD13 ILE 62 2.858 -7.385 6.309 431 H ARG 63 H ARG 63 5.574 -1.800 8.176 432 HA ARG 63 HA ARG 63 3.139 -0.873 9.549 433 HB2 ARG 63 HB2 ARG 63 4.827 1.095 10.214 434 HB3 ARG 63 HB3 ARG 63 4.595 -0.333 11.215 435 HG2 ARG 63 HG2 ARG 63 6.629 -0.795 9.230 436 HG3 ARG 63 HG3 ARG 63 6.991 0.637 10.197 437 HD2 ARG 63 HD2 ARG 63 7.862 -1.562 11.091 438 HD3 ARG 63 HD3 ARG 63 6.916 -0.585 12.217 439 HE ARG 63 HE ARG 63 5.552 -2.692 10.711 440 HH11 ARG 63 HH12 ARG 63 6.799 -1.503 13.753 441 HH12 ARG 63 HH11 ARG 63 6.008 -2.718 14.706 442 HH21 ARG 63 HH22 ARG 63 4.464 -4.286 11.962 443 HH22 ARG 63 HH21 ARG 63 4.656 -4.288 13.685 444 H PHE 64 H PHE 64 1.988 0.485 8.422 445 HA PHE 64 HA PHE 64 3.063 1.523 5.927 446 HB2 PHE 64 HB2 PHE 64 0.991 0.369 5.701 447 HB3 PHE 64 HB3 PHE 64 0.270 1.272 7.026 448 HD1 PHE 64 HD1 PHE 64 2.179 2.413 4.025 449 HD2 PHE 64 HD2 PHE 64 -1.481 2.458 6.192 450 HE1 PHE 64 HE1 PHE 64 1.266 4.072 2.451 451 HE2 PHE 64 HE2 PHE 64 -2.388 4.104 4.622 452 HZ PHE 64 HZ PHE 64 -1.024 4.909 2.745 453 H HIS 65 H HIS 65 3.398 3.593 5.481 454 HA HIS 65 HA HIS 65 2.575 5.604 7.480 455 HB2 HIS 65 HB2 HIS 65 5.121 4.971 7.240 456 HB3 HIS 65 HB3 HIS 65 5.032 5.975 5.798 457 HD1 HIS 65 HD1 HIS 65 4.401 6.217 9.531 458 HD2 HIS 65 HD2 HIS 65 5.294 8.644 6.276 459 HE1 HIS 65 HE1 HIS 65 4.857 8.497 10.491 460 HE2 HIS 65 HE2 HIS 65 5.616 9.882 8.530 461 HA PRO 66 HA PRO 66 0.335 6.451 3.549 462 HB2 PRO 66 HB2 PRO 66 -1.412 8.129 4.880 463 HB3 PRO 66 HB3 PRO 66 -1.652 6.418 4.580 464 HG2 PRO 66 HG2 PRO 66 -0.690 7.783 7.031 465 HG3 PRO 66 HG3 PRO 66 -1.744 6.367 6.869 466 HD2 PRO 66 HD2 PRO 66 0.842 6.137 7.559 467 HD3 PRO 66 HD3 PRO 66 0.045 4.920 6.537 468 H LYS 67 H LYS 67 1.272 8.726 5.970 469 HA LYS 67 HA LYS 67 1.784 10.659 3.822 470 HB2 LYS 67 HB2 LYS 67 0.542 11.259 6.508 471 HB3 LYS 67 HB3 LYS 67 1.055 12.479 5.348 472 HG2 LYS 67 HG2 LYS 67 -0.975 12.361 4.453 473 HG3 LYS 67 HG3 LYS 67 -0.556 10.743 3.888 474 HD2 LYS 67 HD2 LYS 67 -2.586 10.510 5.059 475 HD3 LYS 67 HD3 LYS 67 -1.330 9.893 6.135 476 HE2 LYS 67 HE2 LYS 67 -2.902 11.290 7.364 477 HE3 LYS 67 HE3 LYS 67 -1.307 12.041 7.325 478 HZ1 LYS 67 HZ1 LYS 67 -3.547 12.744 5.497 479 HZ2 LYS 67 HZ2 LYS 67 -2.045 13.530 5.596 480 HZ3 LYS 67 HZ3 LYS 67 -3.138 13.618 6.890 481 H GLU 68 H GLU 68 3.925 10.099 3.789 482 HA GLU 68 HA GLU 68 5.641 10.164 6.026 483 HB2 GLU 68 HB2 GLU 68 6.432 8.984 4.152 484 HB3 GLU 68 HB3 GLU 68 6.097 10.315 3.056 485 HG2 GLU 68 HG2 GLU 68 7.929 11.584 3.940 486 HG3 GLU 68 HG3 GLU 68 8.209 10.374 5.199 487 H GLY 69 H GLY 69 5.820 11.891 7.261 488 HA2 GLY 69 HA3 GLY 69 6.242 14.018 7.971 489 HA3 GLY 69 HA2 GLY 69 7.216 14.171 6.519 490 H ALA 70 H ALA 70 6.667 16.328 6.285 491 HA ALA 70 HA ALA 70 3.944 17.187 6.064 492 HB1 ALA 70 HB1 ALA 70 5.741 18.701 6.781 493 HB2 ALA 70 HB2 ALA 70 6.467 18.589 5.178 494 HB3 ALA 70 HB3 ALA 70 4.877 19.324 5.377 495 H ALA 71 H ALA 71 6.176 15.679 4.005 496 HA ALA 71 HA ALA 71 5.227 16.612 1.486 497 HB1 ALA 71 HB1 ALA 71 6.488 14.734 0.563 498 HB2 ALA 71 HB2 ALA 71 7.442 15.574 1.786 499 HB3 ALA 71 HB3 ALA 71 6.663 14.039 2.177 500 H GLU 72 H GLU 72 4.206 14.262 3.786 501 HA GLU 72 HA GLU 72 2.584 12.696 3.856 502 HB2 GLU 72 HB2 GLU 72 1.234 14.750 2.097 503 HB3 GLU 72 HB3 GLU 72 0.405 13.391 2.851 504 HG2 GLU 72 HG2 GLU 72 1.223 14.245 5.060 505 HG3 GLU 72 HG3 GLU 72 1.774 15.689 4.216 506 H GLN 73 H GLN 73 4.387 11.680 2.432 507 HA GLN 73 HA GLN 73 3.269 10.788 -0.123 508 HB2 GLN 73 HB2 GLN 73 5.763 11.666 0.417 509 HB3 GLN 73 HB3 GLN 73 5.987 9.958 0.753 510 HG2 GLN 73 HG2 GLN 73 6.627 10.339 -1.495 511 HG3 GLN 73 HG3 GLN 73 5.091 9.472 -1.527 512 HE21 GLN 73 HE21 GLN 73 3.276 10.492 -2.324 513 HE22 GLN 73 HE22 GLN 73 3.336 12.021 -3.126 514 HA PRO 74 HA PRO 74 2.187 7.116 2.213 515 HB2 PRO 74 HB2 PRO 74 0.962 5.785 0.204 516 HB3 PRO 74 HB3 PRO 74 0.187 7.107 1.083 517 HG2 PRO 74 HG2 PRO 74 1.536 7.140 -1.587 518 HG3 PRO 74 HG3 PRO 74 0.036 7.937 -1.080 519 HD2 PRO 74 HD2 PRO 74 2.420 9.235 -1.268 520 HD3 PRO 74 HD3 PRO 74 1.154 9.702 -0.114 521 H ILE 75 H ILE 75 3.931 5.945 2.679 522 HA ILE 75 HA ILE 75 4.967 4.209 0.564 523 HB ILE 75 HB ILE 75 7.226 4.561 1.040 524 HG12 ILE 75 HG13 ILE 75 7.672 6.350 3.035 525 HG13 ILE 75 3HG1 ILE 75 6.265 5.497 3.668 526 HG21 ILE 75 HG21 ILE 75 7.604 6.996 0.884 527 HG22 ILE 75 HG22 ILE 75 6.358 6.412 -0.220 528 HG23 ILE 75 HG23 ILE 75 5.900 7.255 1.262 529 HD11 ILE 75 HD11 ILE 75 7.434 3.379 3.459 530 HD12 ILE 75 HD12 ILE 75 8.832 4.204 2.768 531 HD13 ILE 75 HD13 ILE 75 8.363 4.515 4.439 532 H LEU 76 H LEU 76 5.457 2.170 1.218 533 HA LEU 76 HA LEU 76 4.745 1.527 4.000 534 HB2 LEU 76 HB2 LEU 76 3.154 0.702 2.324 535 HB3 LEU 76 HB3 LEU 76 4.446 -0.125 1.489 536 HG LEU 76 HG LEU 76 2.798 -1.417 3.063 537 HD11 LEU 76 HD11 LEU 76 4.532 -3.091 3.479 538 HD12 LEU 76 HD12 LEU 76 4.637 -2.440 1.842 539 HD13 LEU 76 HD13 LEU 76 5.771 -1.900 3.081 540 HD21 LEU 76 HD21 LEU 76 3.689 -1.717 5.313 541 HD22 LEU 76 HD22 LEU 76 4.888 -0.463 5.002 542 HD23 LEU 76 HD23 LEU 76 3.174 -0.054 5.032 543 H ARG 77 H ARG 77 6.286 0.663 5.226 544 HA ARG 77 HA ARG 77 8.586 -0.567 3.877 545 HB2 ARG 77 HB2 ARG 77 10.120 0.406 5.361 546 HB3 ARG 77 HB3 ARG 77 9.028 1.718 4.958 547 HG2 ARG 77 HG2 ARG 77 8.744 0.069 7.456 548 HG3 ARG 77 HG3 ARG 77 9.733 1.523 7.367 549 HD2 ARG 77 HD2 ARG 77 6.792 1.409 6.739 550 HD3 ARG 77 HD3 ARG 77 7.464 1.913 8.287 551 HE ARG 77 HE ARG 77 7.774 3.355 5.738 552 HH11 ARG 77 HH12 ARG 77 7.927 3.247 9.230 553 HH12 ARG 77 HH11 ARG 77 8.116 4.972 9.408 554 HH21 ARG 77 HH22 ARG 77 8.073 5.627 5.961 555 HH22 ARG 77 HH21 ARG 77 8.188 6.319 7.552 556 H ALA 78 H ALA 78 9.335 -2.444 4.703 557 HA ALA 78 HA ALA 78 8.487 -3.481 7.260 558 HB1 ALA 78 HB1 ALA 78 7.355 -5.452 6.381 559 HB2 ALA 78 HB2 ALA 78 6.525 -3.983 5.863 560 HB3 ALA 78 HB3 ALA 78 7.561 -4.855 4.735 561 H ARG 79 H ARG 79 9.404 -5.760 7.550 562 HA ARG 79 HA ARG 79 12.115 -5.775 6.491 563 HB2 ARG 79 HB2 ARG 79 11.082 -8.017 8.178 564 HB3 ARG 79 HB3 ARG 79 12.672 -7.278 8.167 565 HG2 ARG 79 HG2 ARG 79 10.169 -6.220 9.463 566 HG3 ARG 79 HG3 ARG 79 11.630 -6.813 10.252 567 HD2 ARG 79 HD2 ARG 79 12.892 -4.937 9.235 568 HD3 ARG 79 HD3 ARG 79 11.373 -4.346 8.558 569 HE ARG 79 HE ARG 79 10.602 -4.092 10.902 570 HH11 ARG 79 HH12 ARG 79 14.048 -4.126 10.232 571 HH12 ARG 79 HH11 ARG 79 14.437 -3.156 11.626 572 HH21 ARG 79 HH22 ARG 79 11.105 -2.843 12.700 573 HH22 ARG 79 HH21 ARG 79 12.763 -2.428 13.032 574 H LEU 80 H LEU 80 12.516 -6.726 4.611 575 HA LEU 80 HA LEU 80 10.698 -8.827 3.684 576 HB2 LEU 80 HB2 LEU 80 12.413 -6.802 2.361 577 HB3 LEU 80 HB3 LEU 80 12.203 -8.333 1.533 578 HG LEU 80 HG LEU 80 9.916 -7.998 1.230 579 HD11 LEU 80 HD11 LEU 80 9.278 -7.399 3.444 580 HD12 LEU 80 HD12 LEU 80 10.038 -5.814 3.268 581 HD13 LEU 80 HD13 LEU 80 8.621 -6.226 2.299 582 HD21 LEU 80 HD21 LEU 80 11.246 -5.325 0.965 583 HD22 LEU 80 HD22 LEU 80 11.174 -6.604 -0.250 584 HD23 LEU 80 HD23 LEU 80 9.700 -5.761 0.232 585 H ARG 81 H ARG 81 11.283 -10.851 3.622 586 HA ARG 81 HA ARG 81 13.980 -11.622 4.343 587 HB2 ARG 81 HB2 ARG 81 12.212 -12.825 5.422 588 HB3 ARG 81 HB3 ARG 81 11.436 -13.188 3.891 589 HG2 ARG 81 HG2 ARG 81 14.183 -14.203 4.193 590 HG3 ARG 81 HG3 ARG 81 12.983 -14.929 5.253 591 HD2 ARG 81 HD2 ARG 81 11.566 -15.220 3.132 592 HD3 ARG 81 HD3 ARG 81 13.057 -14.849 2.259 593 HE ARG 81 HE ARG 81 14.033 -16.833 3.175 594 HH11 ARG 81 HH12 ARG 81 10.585 -16.523 3.721 595 HH12 ARG 81 HH11 ARG 81 10.314 -18.239 3.818 596 HH21 ARG 81 HH22 ARG 81 13.693 -19.087 3.343 597 HH22 ARG 81 HH21 ARG 81 12.089 -19.693 3.658 598 H ASP 82 H ASP 82 15.432 -12.729 3.074 599 HA ASP 82 HA ASP 82 14.847 -12.661 0.192 600 HB2 ASP 82 HB2 ASP 82 17.147 -12.479 -0.219 601 HB3 ASP 82 HB3 ASP 82 16.885 -11.472 1.199 602 H CYS 83 H CYS 83 16.197 -14.469 -1.047 603 HA CYS 83 HA CYS 83 14.967 -16.901 -0.400 604 HB2 CYS 83 HB2 CYS 83 17.367 -16.377 -2.160 605 HB3 CYS 83 HB3 CYS 83 16.494 -17.902 -2.097 606 HG CYS 83 HG CYS 83 15.527 -14.938 -3.451 607 H ASN 84 H ASN 84 17.941 -15.536 0.759 608 HA ASN 84 HA ASN 84 19.115 -18.033 1.554 609 HB2 ASN 84 HB2 ASN 84 20.507 -16.055 1.118 610 HB3 ASN 84 HB3 ASN 84 19.743 -15.217 2.464 611 HD21 ASN 84 HD21 ASN 84 21.691 -14.925 3.508 612 HD22 ASN 84 HD22 ASN 84 22.527 -16.227 4.293 613 H GLY 85 H GLY 85 16.917 -15.732 2.968 614 HA2 GLY 85 HA3 GLY 85 15.374 -16.547 4.642 615 HA3 GLY 85 HA2 GLY 85 16.668 -17.544 5.286 616 H GLU 86 H GLU 86 16.883 -14.137 4.385 617 HA GLU 86 HA GLU 86 17.378 -13.543 7.237 618 HB2 GLU 86 HB2 GLU 86 18.887 -11.804 6.620 619 HB3 GLU 86 HB3 GLU 86 19.339 -13.201 5.658 620 HG2 GLU 86 HG2 GLU 86 18.415 -12.284 3.700 621 HG3 GLU 86 HG3 GLU 86 17.549 -11.042 4.600 622 H PHE 87 H PHE 87 17.178 -10.792 7.107 623 HA PHE 87 HA PHE 87 14.651 -10.178 5.837 624 HB2 PHE 87 HB2 PHE 87 13.493 -9.493 7.830 625 HB3 PHE 87 HB3 PHE 87 14.045 -11.142 8.078 626 HD1 PHE 87 HD1 PHE 87 16.168 -11.488 9.457 627 HD2 PHE 87 HD2 PHE 87 14.020 -7.815 9.340 628 HE1 PHE 87 HE1 PHE 87 17.234 -10.798 11.564 629 HE2 PHE 87 HE2 PHE 87 15.084 -7.120 11.445 630 HZ PHE 87 HZ PHE 87 16.693 -8.612 12.558 631 H HIS 88 H HIS 88 14.656 -8.171 5.105 632 HA HIS 88 HA HIS 88 16.383 -6.173 6.380 633 HB2 HIS 88 HB2 HIS 88 17.433 -7.387 4.283 634 HB3 HIS 88 HB3 HIS 88 16.357 -6.320 3.386 635 HD1 HIS 88 HD1 HIS 88 16.761 -3.672 3.819 636 HD2 HIS 88 HD2 HIS 88 19.751 -6.249 5.126 637 HE1 HIS 88 HE1 HIS 88 18.792 -2.233 4.171 638 HE2 HIS 88 HE2 HIS 88 20.536 -3.787 5.116 639 H ASP 89 H ASP 89 15.121 -4.505 6.836 640 HA ASP 89 HA ASP 89 12.524 -4.222 5.798 641 HB2 ASP 89 HB2 ASP 89 12.427 -2.100 6.983 642 HB3 ASP 89 HB3 ASP 89 13.171 -3.329 7.997 643 H ARG 90 H ARG 90 11.836 -3.496 3.966 644 HA ARG 90 HA ARG 90 13.517 -1.586 2.471 645 HB2 ARG 90 HB2 ARG 90 11.553 -3.652 1.457 646 HB3 ARG 90 HB3 ARG 90 12.333 -2.445 0.442 647 HG2 ARG 90 HG2 ARG 90 13.733 -4.590 2.018 648 HG3 ARG 90 HG3 ARG 90 13.444 -4.599 0.276 649 HD2 ARG 90 HD2 ARG 90 14.799 -2.589 0.032 650 HD3 ARG 90 HD3 ARG 90 15.061 -2.542 1.775 651 HE ARG 90 HE ARG 90 15.883 -5.011 0.568 652 HH11 ARG 90 HH12 ARG 90 16.859 -1.708 1.250 653 HH12 ARG 90 HH11 ARG 90 18.564 -2.090 1.231 654 HH21 ARG 90 HH22 ARG 90 18.102 -5.499 0.545 655 HH22 ARG 90 HH21 ARG 90 19.264 -4.234 0.827 656 H ASP 91 H ASP 91 11.886 -0.435 0.782 657 HA ASP 91 HA ASP 91 9.407 0.268 2.112 658 HB2 ASP 91 HB2 ASP 91 9.850 2.688 1.948 659 HB3 ASP 91 HB3 ASP 91 10.982 1.899 3.038 660 H VAL 92 H VAL 92 7.883 1.098 0.710 661 HA VAL 92 HA VAL 92 8.676 1.239 -2.108 662 HB VAL 92 HB VAL 92 7.822 -1.030 -1.658 663 HG11 VAL 92 HG11 VAL 92 6.254 -0.574 0.120 664 HG12 VAL 92 HG12 VAL 92 5.244 0.364 -0.982 665 HG13 VAL 92 HG13 VAL 92 5.431 -1.373 -1.221 666 HG21 VAL 92 HG21 VAL 92 6.129 0.661 -3.465 667 HG22 VAL 92 HG22 VAL 92 7.644 -0.146 -3.866 668 HG23 VAL 92 HG23 VAL 92 6.208 -1.102 -3.505 669 H ASN 93 H ASN 93 7.429 2.498 -3.402 670 HA ASN 93 HA ASN 93 6.022 4.633 -2.056 671 HB2 ASN 93 HB2 ASN 93 6.825 4.131 -4.915 672 HB3 ASN 93 HB3 ASN 93 5.819 5.496 -4.458 673 HD21 ASN 93 HD21 ASN 93 7.172 5.910 -1.915 674 HD22 ASN 93 HD22 ASN 93 8.697 6.631 -2.303 675 H LEU 94 H LEU 94 3.969 4.311 -1.491 676 HA LEU 94 HA LEU 94 2.310 2.460 -2.944 677 HB2 LEU 94 HB2 LEU 94 1.687 4.262 -0.609 678 HB3 LEU 94 HB3 LEU 94 0.552 3.120 -1.303 679 HG LEU 94 HG LEU 94 2.907 2.641 0.444 680 HD11 LEU 94 HD11 LEU 94 1.398 0.975 1.402 681 HD12 LEU 94 HD12 LEU 94 0.656 2.574 1.338 682 HD13 LEU 94 HD13 LEU 94 0.204 1.345 0.157 683 HD21 LEU 94 HD21 LEU 94 3.494 1.401 -1.592 684 HD22 LEU 94 HD22 LEU 94 3.094 0.321 -0.256 685 HD23 LEU 94 HD23 LEU 94 1.926 0.598 -1.545 686 H ASN 95 H ASN 95 3.222 5.453 -3.698 687 HA ASN 95 HA ASN 95 0.832 6.794 -4.345 688 HB2 ASN 95 HB2 ASN 95 3.410 7.041 -5.901 689 HB3 ASN 95 HB3 ASN 95 2.146 8.253 -5.713 690 HD21 ASN 95 HD21 ASN 95 5.043 7.038 -4.553 691 HD22 ASN 95 HD22 ASN 95 5.156 7.977 -3.115 692 H ARG 96 H ARG 96 2.167 3.985 -5.599 693 HA ARG 96 HA ARG 96 1.354 4.203 -8.315 694 HB2 ARG 96 HB2 ARG 96 2.132 1.922 -6.530 695 HB3 ARG 96 HB3 ARG 96 1.417 1.596 -8.099 696 HG2 ARG 96 HG2 ARG 96 3.868 1.515 -8.123 697 HG3 ARG 96 HG3 ARG 96 3.213 2.734 -9.215 698 HD2 ARG 96 HD2 ARG 96 3.869 3.632 -6.476 699 HD3 ARG 96 HD3 ARG 96 5.231 3.201 -7.510 700 HE ARG 96 HE ARG 96 3.235 5.069 -8.555 701 HH11 ARG 96 HH12 ARG 96 6.452 4.454 -7.325 702 HH12 ARG 96 HH11 ARG 96 7.086 5.993 -7.826 703 HH21 ARG 96 HH22 ARG 96 4.051 7.120 -9.218 704 HH22 ARG 96 HH21 ARG 96 5.716 7.516 -8.904 705 H ILE 97 H ILE 97 -0.271 3.691 -5.376 706 HA ILE 97 HA ILE 97 -2.541 2.342 -6.569 707 HB ILE 97 HB ILE 97 -2.182 3.427 -3.770 708 HG12 ILE 97 HG13 ILE 97 -2.053 0.519 -4.420 709 HG13 ILE 97 3HG1 ILE 97 -0.655 1.507 -4.828 710 HG21 ILE 97 HG21 ILE 97 -4.525 3.107 -4.378 711 HG22 ILE 97 HG22 ILE 97 -4.176 1.457 -4.896 712 HG23 ILE 97 HG23 ILE 97 -4.015 1.900 -3.197 713 HD11 ILE 97 HD11 ILE 97 -1.887 1.318 -2.093 714 HD12 ILE 97 HD12 ILE 97 -0.462 0.430 -2.638 715 HD13 ILE 97 HD13 ILE 97 -0.420 2.190 -2.540 716 H GLN 98 H GLN 98 -4.249 3.349 -7.383 717 HA GLN 98 HA GLN 98 -4.635 6.198 -6.753 718 HB2 GLN 98 HB2 GLN 98 -3.750 5.687 -9.076 719 HB3 GLN 98 HB3 GLN 98 -5.278 4.882 -9.393 720 HG2 GLN 98 HG2 GLN 98 -6.475 6.960 -9.033 721 HG3 GLN 98 HG3 GLN 98 -4.965 7.779 -8.641 722 HE21 GLN 98 HE21 GLN 98 -6.900 8.347 -10.746 723 HE22 GLN 98 HE22 GLN 98 -6.024 8.275 -12.237 724 H ASN 99 H ASN 99 -6.870 6.919 -7.075 725 HA ASN 99 HA ASN 99 -8.768 4.857 -6.212 726 HB2 ASN 99 HB2 ASN 99 -8.656 6.497 -4.533 727 HB3 ASN 99 HB3 ASN 99 -8.563 7.813 -5.699 728 HD21 ASN 99 HD21 ASN 99 -10.410 8.685 -6.508 729 HD22 ASN 99 HD22 ASN 99 -11.985 8.266 -5.944 730 H VAL 100 H VAL 100 -10.153 4.183 -7.699 731 HA VAL 100 HA VAL 100 -10.915 6.046 -9.855 732 HB VAL 100 HB VAL 100 -10.904 3.021 -9.956 733 HG11 VAL 100 HG11 VAL 100 -11.366 3.297 -12.331 734 HG12 VAL 100 HG12 VAL 100 -12.635 4.039 -11.358 735 HG13 VAL 100 HG13 VAL 100 -11.414 5.049 -12.131 736 HG21 VAL 100 HG21 VAL 100 -9.027 3.277 -11.509 737 HG22 VAL 100 HG22 VAL 100 -9.039 5.020 -11.231 738 HG23 VAL 100 HG23 VAL 100 -8.642 3.919 -9.911 739 H ASN 101 H ASN 101 -12.717 6.949 -8.985 740 HA ASN 101 HA ASN 101 -14.897 7.187 -8.441 741 HB2 ASN 101 HB2 ASN 101 -15.049 5.594 -10.497 742 HB3 ASN 101 HB3 ASN 101 -15.470 4.371 -9.303 743 HD21 ASN 101 HD21 ASN 101 -16.447 7.315 -10.869 744 HD22 ASN 101 HD22 ASN 101 -18.107 7.278 -10.362 745 H GLY 102 H GLY 102 -12.934 5.841 -6.576 746 HA2 GLY 102 HA3 GLY 102 -13.456 5.701 -4.227 747 HA3 GLY 102 HA2 GLY 102 -14.991 4.971 -4.661 748 H ARG 103 H ARG 103 -12.164 3.868 -6.323 749 HA ARG 103 HA ARG 103 -12.009 1.569 -4.516 750 HB2 ARG 103 HB2 ARG 103 -12.037 0.003 -6.269 751 HB3 ARG 103 HB3 ARG 103 -13.361 1.109 -6.600 752 HG2 ARG 103 HG2 ARG 103 -11.824 2.307 -8.185 753 HG3 ARG 103 HG3 ARG 103 -10.693 0.967 -7.971 754 HD2 ARG 103 HD2 ARG 103 -12.084 0.654 -9.956 755 HD3 ARG 103 HD3 ARG 103 -12.385 -0.600 -8.752 756 HE ARG 103 HE ARG 103 -14.141 1.748 -8.917 757 HH11 ARG 103 HH12 ARG 103 -13.669 -1.721 -9.044 758 HH12 ARG 103 HH11 ARG 103 -15.372 -2.079 -9.127 759 HH21 ARG 103 HH22 ARG 103 -16.381 1.293 -9.041 760 HH22 ARG 103 HH21 ARG 103 -16.917 -0.358 -9.143 761 H LEU 104 H LEU 104 -10.006 0.839 -4.065 762 HA LEU 104 HA LEU 104 -7.758 2.402 -4.988 763 HB2 LEU 104 HB2 LEU 104 -8.321 0.538 -2.798 764 HB3 LEU 104 HB3 LEU 104 -6.709 0.373 -3.462 765 HG LEU 104 HG LEU 104 -6.143 2.611 -2.906 766 HD11 LEU 104 HD11 LEU 104 -8.214 3.701 -3.530 767 HD12 LEU 104 HD12 LEU 104 -9.024 2.999 -2.127 768 HD13 LEU 104 HD13 LEU 104 -7.728 4.173 -1.900 769 HD21 LEU 104 HD21 LEU 104 -6.452 2.629 -0.483 770 HD22 LEU 104 HD22 LEU 104 -7.701 1.392 -0.628 771 HD23 LEU 104 HD23 LEU 104 -6.033 1.019 -1.067 772 H VAL 105 H VAL 105 -6.373 1.867 -6.533 773 HA VAL 105 HA VAL 105 -6.047 -0.935 -7.302 774 HB VAL 105 HB VAL 105 -7.769 -0.121 -8.814 775 HG11 VAL 105 HG11 VAL 105 -7.342 2.258 -8.724 776 HG12 VAL 105 HG12 VAL 105 -5.812 2.040 -9.573 777 HG13 VAL 105 HG13 VAL 105 -7.334 1.705 -10.400 778 HG21 VAL 105 HG21 VAL 105 -6.183 -1.707 -9.721 779 HG22 VAL 105 HG22 VAL 105 -6.663 -0.556 -10.968 780 HG23 VAL 105 HG23 VAL 105 -5.095 -0.395 -10.176 781 H PHE 106 H PHE 106 -3.977 -1.441 -7.715 782 HA PHE 106 HA PHE 106 -1.988 0.667 -7.521 783 HB2 PHE 106 HB2 PHE 106 -0.418 -0.994 -7.060 784 HB3 PHE 106 HB3 PHE 106 -1.893 -1.684 -6.391 785 HD1 PHE 106 HD1 PHE 106 -3.218 -3.276 -7.978 786 HD2 PHE 106 HD2 PHE 106 0.871 -2.226 -8.502 787 HE1 PHE 106 HE1 PHE 106 -2.882 -5.282 -9.362 788 HE2 PHE 106 HE2 PHE 106 1.215 -4.229 -9.882 789 HZ PHE 106 HZ PHE 106 -0.663 -5.760 -10.317 790 H GLN 107 H GLN 107 -0.434 1.168 -9.116 791 HA GLN 107 HA GLN 107 -1.361 0.636 -11.824 792 HB2 GLN 107 HB2 GLN 107 0.821 2.467 -10.804 793 HB3 GLN 107 HB3 GLN 107 0.356 2.311 -12.491 794 HG2 GLN 107 HG2 GLN 107 -1.404 3.283 -10.253 795 HG3 GLN 107 HG3 GLN 107 -0.629 4.287 -11.478 796 HE21 GLN 107 HE21 GLN 107 -3.458 3.914 -10.813 797 HE22 GLN 107 HE22 GLN 107 -4.233 3.417 -12.278 Start of MODEL 21 1 H MET 1 H MET 1 -1.779 11.576 -10.318 2 HA MET 1 HA MET 1 -0.325 12.253 -8.579 3 HB2 MET 1 HB2 MET 1 -1.857 14.038 -7.720 4 HB3 MET 1 HB3 MET 1 -2.821 12.793 -6.948 5 HG2 MET 1 HG2 MET 1 -1.393 13.798 -5.320 6 HG3 MET 1 HG3 MET 1 -0.838 12.151 -5.613 7 HE1 MET 1 HE1 MET 1 2.474 14.143 -4.862 8 HE2 MET 1 HE2 MET 1 0.890 14.457 -4.152 9 HE3 MET 1 HE3 MET 1 1.445 12.797 -4.372 10 H SER 2 H SER 2 -2.730 11.154 -6.366 11 HA SER 2 HA SER 2 -2.425 8.352 -6.949 12 HB2 SER 2 HB2 SER 2 -1.306 9.440 -4.348 13 HB3 SER 2 HB3 SER 2 -1.357 7.749 -4.844 14 HG SER 2 HG SER 2 0.117 8.216 -6.476 15 H TYR 3 H TYR 3 -3.391 7.151 -4.804 16 HA TYR 3 HA TYR 3 -6.056 8.104 -4.600 17 HB2 TYR 3 HB2 TYR 3 -6.487 6.201 -3.253 18 HB3 TYR 3 HB3 TYR 3 -5.238 5.685 -4.379 19 HD1 TYR 3 HD1 TYR 3 -2.817 5.667 -3.532 20 HD2 TYR 3 HD2 TYR 3 -6.183 5.982 -0.955 21 HE1 TYR 3 HE1 TYR 3 -1.426 4.955 -1.640 22 HE2 TYR 3 HE2 TYR 3 -4.806 5.275 0.948 23 HH TYR 3 HH TYR 3 -1.425 5.156 0.821 24 H ALA 4 H ALA 4 -3.239 8.283 -2.525 25 HA ALA 4 HA ALA 4 -4.303 9.177 -0.144 26 HB1 ALA 4 HB1 ALA 4 -1.667 9.976 -1.358 27 HB2 ALA 4 HB2 ALA 4 -2.107 10.084 0.346 28 HB3 ALA 4 HB3 ALA 4 -1.975 8.508 -0.430 29 H ASP 5 H ASP 5 -3.984 10.908 -3.110 30 HA ASP 5 HA ASP 5 -3.896 13.552 -2.268 31 HB2 ASP 5 HB2 ASP 5 -3.683 13.039 -4.602 32 HB3 ASP 5 HB3 ASP 5 -5.276 12.289 -4.641 33 H SER 6 H SER 6 -6.560 11.290 -2.384 34 HA SER 6 HA SER 6 -8.190 13.227 -0.898 35 HB2 SER 6 HB2 SER 6 -9.247 11.506 -3.157 36 HB3 SER 6 HB3 SER 6 -10.192 12.603 -2.155 37 HG SER 6 HG SER 6 -7.969 13.588 -3.579 38 H SER 7 H SER 7 -6.618 11.063 0.080 39 HA SER 7 HA SER 7 -8.745 9.257 1.022 40 HB2 SER 7 HB2 SER 7 -5.827 8.626 0.577 41 HB3 SER 7 HB3 SER 7 -6.971 7.547 1.374 42 HG SER 7 HG SER 7 -7.186 8.545 -1.278 43 H ARG 8 H ARG 8 -8.627 8.523 3.150 44 HA ARG 8 HA ARG 8 -6.774 9.784 4.997 45 HB2 ARG 8 HB2 ARG 8 -8.291 11.073 6.149 46 HB3 ARG 8 HB3 ARG 8 -9.008 11.185 4.548 47 HG2 ARG 8 HG2 ARG 8 -10.152 8.905 5.586 48 HG3 ARG 8 HG3 ARG 8 -10.051 9.986 6.981 49 HD2 ARG 8 HD2 ARG 8 -12.127 10.468 6.026 50 HD3 ARG 8 HD3 ARG 8 -11.071 11.753 5.436 51 HE ARG 8 HE ARG 8 -10.941 10.537 3.324 52 HH11 ARG 8 HH12 ARG 8 -13.458 9.553 5.551 53 HH12 ARG 8 HH11 ARG 8 -14.480 8.905 4.297 54 HH21 ARG 8 HH22 ARG 8 -12.281 9.734 1.685 55 HH22 ARG 8 HH21 ARG 8 -13.807 9.017 2.098 56 H ASN 9 H ASN 9 -7.268 8.911 7.271 57 HA ASN 9 HA ASN 9 -7.419 7.116 8.675 58 HB2 ASN 9 HB2 ASN 9 -9.896 7.474 7.610 59 HB3 ASN 9 HB3 ASN 9 -9.577 5.816 7.125 60 HD21 ASN 9 HD21 ASN 9 -11.617 6.563 8.834 61 HD22 ASN 9 HD22 ASN 9 -11.298 5.907 10.412 62 H ALA 10 H ALA 10 -5.758 6.924 6.243 63 HA ALA 10 HA ALA 10 -5.971 4.257 5.236 64 HB1 ALA 10 HB1 ALA 10 -4.021 4.752 3.964 65 HB2 ALA 10 HB2 ALA 10 -5.016 6.205 3.980 66 HB3 ALA 10 HB3 ALA 10 -3.596 6.099 5.023 67 H VAL 11 H VAL 11 -5.496 2.527 6.374 68 HA VAL 11 HA VAL 11 -3.052 2.464 7.994 69 HB VAL 11 HB VAL 11 -5.693 1.446 9.077 70 HG11 VAL 11 HG11 VAL 11 -4.479 1.188 11.178 71 HG12 VAL 11 HG12 VAL 11 -3.725 0.249 9.890 72 HG13 VAL 11 HG13 VAL 11 -3.005 1.773 10.408 73 HG21 VAL 11 HG21 VAL 11 -5.608 3.301 10.685 74 HG22 VAL 11 HG22 VAL 11 -4.210 3.958 9.834 75 HG23 VAL 11 HG23 VAL 11 -5.773 3.868 9.022 76 H LEU 12 H LEU 12 -2.286 0.294 8.358 77 HA LEU 12 HA LEU 12 -3.108 -1.534 6.250 78 HB2 LEU 12 HB2 LEU 12 -0.659 -0.942 7.547 79 HB3 LEU 12 HB3 LEU 12 -1.047 -2.609 7.922 80 HG LEU 12 HG LEU 12 -1.092 -3.213 5.613 81 HD11 LEU 12 HD11 LEU 12 -2.198 -1.213 4.733 82 HD12 LEU 12 HD12 LEU 12 -0.720 -0.285 4.985 83 HD13 LEU 12 HD13 LEU 12 -0.744 -1.604 3.815 84 HD21 LEU 12 HD21 LEU 12 1.244 -1.385 6.130 85 HD22 LEU 12 HD22 LEU 12 1.111 -3.061 6.650 86 HD23 LEU 12 HD23 LEU 12 1.181 -2.675 4.931 87 H THR 13 H THR 13 -4.090 -3.421 6.562 88 HA THR 13 HA THR 13 -4.893 -4.156 9.294 89 HB THR 13 HB THR 13 -6.397 -4.689 6.716 90 HG1 THR 13 HG1 THR 13 -7.767 -2.973 7.398 91 HG21 THR 13 HG21 THR 13 -6.875 -6.235 8.584 92 HG22 THR 13 HG22 THR 13 -8.269 -5.244 8.152 93 HG23 THR 13 HG23 THR 13 -7.318 -4.855 9.586 94 H ASN 14 H ASN 14 -5.298 -6.500 9.572 95 HA ASN 14 HA ASN 14 -4.848 -8.723 9.345 96 HB2 ASN 14 HB2 ASN 14 -5.193 -7.888 6.764 97 HB3 ASN 14 HB3 ASN 14 -3.568 -8.560 6.703 98 HD21 ASN 14 HD21 ASN 14 -6.032 -9.490 5.464 99 HD22 ASN 14 HD22 ASN 14 -6.269 -11.116 6.018 100 H GLY 15 H GLY 15 -2.705 -6.378 9.660 101 HA2 GLY 15 HA3 GLY 15 -0.625 -6.591 10.756 102 HA3 GLY 15 HA2 GLY 15 -0.512 -8.244 10.171 103 H GLY 16 H GLY 16 -1.425 -5.767 7.971 104 HA2 GLY 16 HA3 GLY 16 0.019 -4.475 6.574 105 HA3 GLY 16 HA2 GLY 16 1.315 -5.610 6.922 106 H ARG 17 H ARG 17 -1.804 -6.874 6.238 107 HA ARG 17 HA ARG 17 -0.799 -7.800 3.638 108 HB2 ARG 17 HB2 ARG 17 -3.145 -9.042 5.030 109 HB3 ARG 17 HB3 ARG 17 -2.015 -9.768 3.897 110 HG2 ARG 17 HG2 ARG 17 -0.265 -9.528 5.726 111 HG3 ARG 17 HG3 ARG 17 -1.605 -9.163 6.804 112 HD2 ARG 17 HD2 ARG 17 -0.997 -11.528 6.902 113 HD3 ARG 17 HD3 ARG 17 -2.636 -11.299 6.298 114 HE ARG 17 HE ARG 17 -0.571 -11.563 4.270 115 HH11 ARG 17 HH12 ARG 17 -2.943 -13.213 6.249 116 HH12 ARG 17 HH11 ARG 17 -3.144 -14.543 5.143 117 HH21 ARG 17 HH22 ARG 17 -0.854 -13.289 2.796 118 HH22 ARG 17 HH21 ARG 17 -1.965 -14.569 3.166 119 H THR 18 H THR 18 -3.111 -5.806 5.132 120 HA THR 18 HA THR 18 -4.546 -5.556 2.579 121 HB THR 18 HB THR 18 -5.831 -5.411 5.311 122 HG1 THR 18 HG1 THR 18 -6.235 -7.453 3.357 123 HG21 THR 18 HG21 THR 18 -7.938 -5.390 4.058 124 HG22 THR 18 HG22 THR 18 -7.039 -5.397 2.540 125 HG23 THR 18 HG23 THR 18 -6.925 -4.011 3.628 126 H LEU 19 H LEU 19 -4.657 -3.534 1.841 127 HA LEU 19 HA LEU 19 -3.903 -1.326 3.603 128 HB2 LEU 19 HB2 LEU 19 -2.643 -1.509 1.558 129 HB3 LEU 19 HB3 LEU 19 -4.112 -1.581 0.605 130 HG LEU 19 HG LEU 19 -4.614 0.749 1.201 131 HD11 LEU 19 HD11 LEU 19 -3.511 0.828 3.379 132 HD12 LEU 19 HD12 LEU 19 -1.938 0.681 2.593 133 HD13 LEU 19 HD13 LEU 19 -2.927 2.115 2.323 134 HD21 LEU 19 HD21 LEU 19 -3.399 0.282 -0.832 135 HD22 LEU 19 HD22 LEU 19 -2.787 1.767 -0.102 136 HD23 LEU 19 HD23 LEU 19 -1.873 0.265 0.049 137 H ARG 20 H ARG 20 -5.604 -0.448 4.613 138 HA ARG 20 HA ARG 20 -8.125 -0.143 3.117 139 HB2 ARG 20 HB2 ARG 20 -7.969 -1.506 5.326 140 HB3 ARG 20 HB3 ARG 20 -7.842 0.057 6.111 141 HG2 ARG 20 HG2 ARG 20 -10.134 -0.777 4.353 142 HG3 ARG 20 HG3 ARG 20 -10.124 -0.912 6.109 143 HD2 ARG 20 HD2 ARG 20 -9.927 1.622 4.485 144 HD3 ARG 20 HD3 ARG 20 -11.313 1.081 5.431 145 HE ARG 20 HE ARG 20 -8.727 1.712 6.689 146 HH11 ARG 20 HH12 ARG 20 -12.189 2.092 6.472 147 HH12 ARG 20 HH11 ARG 20 -12.318 3.050 7.913 148 HH21 ARG 20 HH22 ARG 20 -8.861 2.950 8.590 149 HH22 ARG 20 HH21 ARG 20 -10.403 3.540 9.123 150 H ALA 21 H ALA 21 -8.691 1.858 2.554 151 HA ALA 21 HA ALA 21 -7.925 4.126 4.220 152 HB1 ALA 21 HB1 ALA 21 -7.039 5.389 2.324 153 HB2 ALA 21 HB2 ALA 21 -6.087 3.938 2.633 154 HB3 ALA 21 HB3 ALA 21 -7.230 3.974 1.290 155 H GLU 22 H GLU 22 -9.167 6.038 3.771 156 HA GLU 22 HA GLU 22 -11.689 5.415 2.394 157 HB2 GLU 22 HB2 GLU 22 -11.289 7.642 4.376 158 HB3 GLU 22 HB3 GLU 22 -12.800 6.915 3.844 159 HG2 GLU 22 HG2 GLU 22 -11.807 4.759 4.911 160 HG3 GLU 22 HG3 GLU 22 -10.779 5.905 5.771 161 H CYS 23 H CYS 23 -11.799 6.256 0.427 162 HA CYS 23 HA CYS 23 -10.593 8.905 -0.023 163 HB2 CYS 23 HB2 CYS 23 -10.246 8.071 -2.407 164 HB3 CYS 23 HB3 CYS 23 -9.184 7.411 -1.168 165 HG CYS 23 HG CYS 23 -11.882 5.525 -1.567 166 H ARG 24 H ARG 24 -11.659 10.326 -1.352 167 HA ARG 24 HA ARG 24 -14.501 9.931 -1.597 168 HB2 ARG 24 HB2 ARG 24 -14.442 12.154 -1.335 169 HB3 ARG 24 HB3 ARG 24 -12.696 12.159 -1.506 170 HG2 ARG 24 HG2 ARG 24 -14.427 12.080 -3.937 171 HG3 ARG 24 HG3 ARG 24 -14.157 13.602 -3.084 172 HD2 ARG 24 HD2 ARG 24 -11.959 13.698 -3.672 173 HD3 ARG 24 HD3 ARG 24 -11.775 11.945 -3.680 174 HE ARG 24 HE ARG 24 -13.308 12.266 -5.818 175 HH11 ARG 24 HH12 ARG 24 -10.483 14.060 -4.760 176 HH12 ARG 24 HH11 ARG 24 -9.977 14.462 -6.374 177 HH21 ARG 24 HH22 ARG 24 -12.594 12.777 -7.959 178 HH22 ARG 24 HH21 ARG 24 -11.167 13.745 -8.170 179 H ASN 25 H ASN 25 -15.673 9.745 -3.510 180 HA ASN 25 HA ASN 25 -14.151 8.641 -5.735 181 HB2 ASN 25 HB2 ASN 25 -16.205 7.729 -6.517 182 HB3 ASN 25 HB3 ASN 25 -16.174 7.514 -4.778 183 HD21 ASN 25 HD21 ASN 25 -18.417 7.522 -6.574 184 HD22 ASN 25 HD22 ASN 25 -19.481 8.771 -6.019 185 H ALA 26 H ALA 26 -15.639 9.119 -7.935 186 HA ALA 26 HA ALA 26 -14.833 11.700 -8.721 187 HB1 ALA 26 HB1 ALA 26 -16.821 9.871 -10.057 188 HB2 ALA 26 HB2 ALA 26 -16.009 11.245 -10.804 189 HB3 ALA 26 HB3 ALA 26 -15.074 9.839 -10.292 190 H ASP 27 H ASP 27 -17.774 10.500 -7.340 191 HA ASP 27 HA ASP 27 -19.437 12.706 -8.052 192 HB2 ASP 27 HB2 ASP 27 -20.292 10.437 -7.448 193 HB3 ASP 27 HB3 ASP 27 -19.789 10.727 -5.788 194 H GLY 28 H GLY 28 -17.058 12.147 -5.660 195 HA2 GLY 28 HA3 GLY 28 -16.098 13.897 -4.380 196 HA3 GLY 28 HA2 GLY 28 -17.619 14.776 -4.490 197 H ASN 29 H ASN 29 -18.109 11.534 -3.841 198 HA ASN 29 HA ASN 29 -18.756 12.141 -1.051 199 HB2 ASN 29 HB2 ASN 29 -20.228 10.885 -2.930 200 HB3 ASN 29 HB3 ASN 29 -19.407 9.497 -2.227 201 HD21 ASN 29 HD21 ASN 29 -22.239 10.363 -2.159 202 HD22 ASN 29 HD22 ASN 29 -22.648 10.406 -0.477 203 H TRP 30 H TRP 30 -17.965 10.943 0.654 204 HA TRP 30 HA TRP 30 -15.353 9.826 0.282 205 HB2 TRP 30 HB2 TRP 30 -17.112 10.246 2.692 206 HB3 TRP 30 HB3 TRP 30 -15.552 9.437 2.798 207 HD1 TRP 30 HD1 TRP 30 -14.891 11.893 0.298 208 HE1 TRP 30 HE1 TRP 30 -13.882 14.048 1.279 209 HE3 TRP 30 HE3 TRP 30 -16.092 11.172 5.211 210 HZ2 TRP 30 HZ2 TRP 30 -13.640 15.277 3.812 211 HZ3 TRP 30 HZ3 TRP 30 -15.438 12.885 6.849 212 HH2 TRP 30 HH2 TRP 30 -14.236 14.895 6.162 213 H VAL 31 H VAL 31 -14.832 7.764 -0.032 214 HA VAL 31 HA VAL 31 -16.794 5.675 0.679 215 HB VAL 31 HB VAL 31 -14.902 5.323 -1.613 216 HG11 VAL 31 HG11 VAL 31 -17.644 4.239 -1.009 217 HG12 VAL 31 HG12 VAL 31 -16.681 3.844 -2.433 218 HG13 VAL 31 HG13 VAL 31 -16.109 3.390 -0.827 219 HG21 VAL 31 HG21 VAL 31 -16.583 6.169 -3.185 220 HG22 VAL 31 HG22 VAL 31 -17.563 6.722 -1.826 221 HG23 VAL 31 HG23 VAL 31 -15.973 7.436 -2.117 222 H THR 32 H THR 32 -15.958 3.837 1.647 223 HA THR 32 HA THR 32 -13.156 3.969 2.459 224 HB THR 32 HB THR 32 -15.255 1.954 3.302 225 HG1 THR 32 HG1 THR 32 -14.441 4.215 4.832 226 HG21 THR 32 HG21 THR 32 -12.620 2.768 4.546 227 HG22 THR 32 HG22 THR 32 -12.957 1.244 3.726 228 HG23 THR 32 HG23 THR 32 -13.771 1.627 5.242 229 H SER 33 H SER 33 -11.718 3.038 1.134 230 HA SER 33 HA SER 33 -12.581 0.702 -0.436 231 HB2 SER 33 HB2 SER 33 -10.258 2.528 -1.057 232 HB3 SER 33 HB3 SER 33 -11.035 1.358 -2.127 233 HG SER 33 HG SER 33 -12.502 2.791 -2.599 234 H GLU 34 H GLU 34 -11.243 -1.089 -0.585 235 HA GLU 34 HA GLU 34 -8.924 -1.170 1.216 236 HB2 GLU 34 HB2 GLU 34 -10.788 -3.513 0.976 237 HB3 GLU 34 HB3 GLU 34 -9.624 -3.154 2.242 238 HG2 GLU 34 HG2 GLU 34 -11.070 -1.233 2.909 239 HG3 GLU 34 HG3 GLU 34 -12.269 -1.819 1.763 240 H LEU 35 H LEU 35 -7.212 -2.317 0.472 241 HA LEU 35 HA LEU 35 -7.559 -4.075 -1.840 242 HB2 LEU 35 HB2 LEU 35 -6.756 -1.594 -2.391 243 HB3 LEU 35 HB3 LEU 35 -5.213 -2.222 -1.850 244 HG LEU 35 HG LEU 35 -6.840 -3.088 -4.232 245 HD11 LEU 35 HD11 LEU 35 -4.802 -2.547 -5.441 246 HD12 LEU 35 HD12 LEU 35 -5.374 -1.165 -4.506 247 HD13 LEU 35 HD13 LEU 35 -4.008 -2.119 -3.924 248 HD21 LEU 35 HD21 LEU 35 -6.062 -5.132 -3.150 249 HD22 LEU 35 HD22 LEU 35 -5.173 -4.836 -4.643 250 HD23 LEU 35 HD23 LEU 35 -4.422 -4.489 -3.086 251 H ASP 36 H ASP 36 -6.816 -5.928 -1.190 252 HA ASP 36 HA ASP 36 -5.085 -6.252 1.013 253 HB2 ASP 36 HB2 ASP 36 -6.060 -8.118 -1.144 254 HB3 ASP 36 HB3 ASP 36 -5.020 -8.639 0.168 255 H LEU 37 H LEU 37 -3.045 -5.693 0.985 256 HA LEU 37 HA LEU 37 -1.463 -5.241 -1.292 257 HB2 LEU 37 HB2 LEU 37 -0.585 -5.930 1.509 258 HB3 LEU 37 HB3 LEU 37 0.426 -5.222 0.261 259 HG LEU 37 HG LEU 37 -1.927 -3.952 1.597 260 HD11 LEU 37 HD11 LEU 37 1.001 -3.374 1.649 261 HD12 LEU 37 HD12 LEU 37 -0.250 -2.474 2.512 262 HD13 LEU 37 HD13 LEU 37 0.072 -4.162 2.922 263 HD21 LEU 37 HD21 LEU 37 -0.129 -2.859 -0.559 264 HD22 LEU 37 HD22 LEU 37 -1.823 -3.311 -0.759 265 HD23 LEU 37 HD23 LEU 37 -1.390 -1.965 0.294 266 H ASP 38 H ASP 38 -1.755 -7.911 0.938 267 HA ASP 38 HA ASP 38 0.291 -9.512 -0.147 268 HB2 ASP 38 HB2 ASP 38 -0.379 -11.192 1.289 269 HB3 ASP 38 HB3 ASP 38 -0.969 -9.757 2.117 270 H THR 39 H THR 39 -2.483 -8.513 -1.611 271 HA THR 39 HA THR 39 -2.664 -11.017 -3.156 272 HB THR 39 HB THR 39 -4.758 -9.792 -2.044 273 HG1 THR 39 HG1 THR 39 -4.352 -11.592 -3.985 274 HG21 THR 39 HG21 THR 39 -6.009 -8.534 -3.734 275 HG22 THR 39 HG22 THR 39 -4.624 -8.620 -4.824 276 HG23 THR 39 HG23 THR 39 -4.503 -7.716 -3.315 277 H ILE 40 H ILE 40 -1.337 -7.934 -3.305 278 HA ILE 40 HA ILE 40 -0.876 -8.261 -6.177 279 HB ILE 40 HB ILE 40 -1.240 -5.788 -6.528 280 HG12 ILE 40 HG13 ILE 40 -3.155 -5.034 -4.815 281 HG13 ILE 40 3HG1 ILE 40 -2.227 -6.073 -3.743 282 HG21 ILE 40 HG21 ILE 40 -2.783 -7.466 -7.369 283 HG22 ILE 40 HG22 ILE 40 -3.650 -7.454 -5.835 284 HG23 ILE 40 HG23 ILE 40 -3.646 -6.017 -6.856 285 HD11 ILE 40 HD11 ILE 40 -1.560 -3.755 -3.534 286 HD12 ILE 40 HD12 ILE 40 -0.241 -4.743 -4.162 287 HD13 ILE 40 HD13 ILE 40 -1.160 -3.705 -5.252 288 H ILE 41 H ILE 41 0.540 -8.101 -3.363 289 HA ILE 41 HA ILE 41 2.827 -6.529 -4.370 290 HB ILE 41 HB ILE 41 1.848 -6.695 -1.519 291 HG12 ILE 41 HG13 ILE 41 1.720 -4.613 -3.650 292 HG13 ILE 41 3HG1 ILE 41 0.529 -5.052 -2.434 293 HG21 ILE 41 HG21 ILE 41 3.676 -5.220 -0.921 294 HG22 ILE 41 HG22 ILE 41 4.281 -6.744 -1.578 295 HG23 ILE 41 HG23 ILE 41 4.290 -5.287 -2.576 296 HD11 ILE 41 HD11 ILE 41 3.043 -3.484 -1.966 297 HD12 ILE 41 HD12 ILE 41 1.401 -2.840 -2.018 298 HD13 ILE 41 HD13 ILE 41 1.878 -3.943 -0.724 299 H GLY 42 H GLY 42 4.746 -7.560 -4.323 300 HA2 GLY 42 HA3 GLY 42 4.860 -10.112 -2.845 301 HA3 GLY 42 HA2 GLY 42 5.408 -10.005 -4.512 302 H ASN 43 H ASN 43 7.022 -10.856 -2.354 303 HA ASN 43 HA ASN 43 8.914 -8.610 -2.150 304 HB2 ASN 43 HB2 ASN 43 8.330 -9.258 0.057 305 HB3 ASN 43 HB3 ASN 43 8.459 -10.969 -0.329 306 HD21 ASN 43 HD21 ASN 43 9.888 -11.336 1.350 307 HD22 ASN 43 HD22 ASN 43 11.549 -10.820 1.286 308 H ASN 44 H ASN 44 10.457 -8.738 -3.560 309 HA ASN 44 HA ASN 44 11.344 -11.344 -4.556 310 HB2 ASN 44 HB2 ASN 44 10.708 -9.491 -6.154 311 HB3 ASN 44 HB3 ASN 44 12.096 -8.587 -5.558 312 HD21 ASN 44 HD21 ASN 44 14.188 -9.355 -6.012 313 HD22 ASN 44 HD22 ASN 44 14.474 -10.458 -7.311 314 H ASP 45 H ASP 45 12.377 -11.791 -2.521 315 HA ASP 45 HA ASP 45 14.033 -11.754 -0.950 316 HB2 ASP 45 HB2 ASP 45 16.296 -12.063 -1.935 317 HB3 ASP 45 HB3 ASP 45 15.062 -13.113 -2.606 318 H GLY 46 H GLY 46 13.158 -9.525 -0.407 319 HA2 GLY 46 HA3 GLY 46 13.887 -7.626 0.722 320 HA3 GLY 46 HA2 GLY 46 15.483 -7.851 0.016 321 H HIS 47 H HIS 47 12.424 -7.668 -1.732 322 HA HIS 47 HA HIS 47 12.866 -4.927 -2.525 323 HB2 HIS 47 HB2 HIS 47 14.389 -6.475 -3.958 324 HB3 HIS 47 HB3 HIS 47 12.891 -6.965 -4.740 325 HD1 HIS 47 HD1 HIS 47 15.525 -5.048 -5.602 326 HD2 HIS 47 HD2 HIS 47 11.491 -4.098 -5.254 327 HE1 HIS 47 HE1 HIS 47 15.179 -3.010 -7.040 328 HE2 HIS 47 HE2 HIS 47 12.789 -2.334 -6.630 329 H PHE 48 H PHE 48 10.835 -4.135 -2.432 330 HA PHE 48 HA PHE 48 8.517 -5.719 -2.552 331 HB2 PHE 48 HB2 PHE 48 8.970 -2.762 -2.814 332 HB3 PHE 48 HB3 PHE 48 7.365 -3.451 -3.045 333 HD1 PHE 48 HD1 PHE 48 6.588 -5.072 -1.124 334 HD2 PHE 48 HD2 PHE 48 9.579 -2.077 -0.716 335 HE1 PHE 48 HE1 PHE 48 6.220 -5.044 1.308 336 HE2 PHE 48 HE2 PHE 48 9.226 -2.052 1.718 337 HZ PHE 48 HZ PHE 48 7.543 -3.534 2.734 338 H GLN 49 H GLN 49 7.141 -6.261 -4.136 339 HA GLN 49 HA GLN 49 7.815 -5.441 -6.872 340 HB2 GLN 49 HB2 GLN 49 8.646 -7.613 -6.821 341 HB3 GLN 49 HB3 GLN 49 7.412 -8.166 -5.700 342 HG2 GLN 49 HG2 GLN 49 5.751 -8.090 -7.484 343 HG3 GLN 49 HG3 GLN 49 6.983 -7.537 -8.615 344 HE21 GLN 49 HE21 GLN 49 8.606 -8.990 -9.269 345 HE22 GLN 49 HE22 GLN 49 8.431 -10.704 -9.061 346 H TRP 50 H TRP 50 6.156 -4.327 -7.655 347 HA TRP 50 HA TRP 50 3.508 -4.594 -6.577 348 HB2 TRP 50 HB2 TRP 50 4.657 -3.058 -8.913 349 HB3 TRP 50 HB3 TRP 50 2.924 -3.122 -8.621 350 HD1 TRP 50 HD1 TRP 50 5.880 -1.092 -7.790 351 HE1 TRP 50 HE1 TRP 50 5.342 0.559 -5.877 352 HE3 TRP 50 HE3 TRP 50 1.469 -3.120 -6.176 353 HZ2 TRP 50 HZ2 TRP 50 3.338 0.934 -3.947 354 HZ3 TRP 50 HZ3 TRP 50 0.307 -2.057 -4.287 355 HH2 TRP 50 HH2 TRP 50 1.220 -0.069 -3.197 356 H GLY 51 H GLY 51 2.306 -6.291 -6.999 357 HA2 GLY 51 HA3 GLY 51 0.962 -7.571 -8.488 358 HA3 GLY 51 HA2 GLY 51 2.150 -7.295 -9.757 359 H GLY 52 H GLY 52 2.710 -8.403 -6.440 360 HA2 GLY 52 HA3 GLY 52 3.848 -10.874 -7.581 361 HA3 GLY 52 HA2 GLY 52 4.418 -10.111 -6.104 362 H GLN 53 H GLN 53 2.204 -9.671 -4.669 363 HA GLN 53 HA GLN 53 0.606 -10.547 -3.345 364 HB2 GLN 53 HB2 GLN 53 -0.775 -11.264 -5.042 365 HB3 GLN 53 HB3 GLN 53 0.395 -12.417 -5.659 366 HG2 GLN 53 HG2 GLN 53 -0.112 -13.986 -3.994 367 HG3 GLN 53 HG3 GLN 53 -0.940 -12.787 -3.003 368 HE21 GLN 53 HE21 GLN 53 -1.820 -15.386 -4.071 369 HE22 GLN 53 HE22 GLN 53 -3.273 -15.047 -4.960 370 H ASN 54 H ASN 54 0.531 -11.748 -1.573 371 HA ASN 54 HA ASN 54 1.143 -13.072 0.129 372 HB2 ASN 54 HB2 ASN 54 1.087 -14.785 -1.924 373 HB3 ASN 54 HB3 ASN 54 2.796 -14.900 -1.524 374 HD21 ASN 54 HD21 ASN 54 0.640 -16.859 -1.275 375 HD22 ASN 54 HD22 ASN 54 0.621 -17.333 0.390 376 H PHE 55 H PHE 55 2.669 -10.818 -0.478 377 HA PHE 55 HA PHE 55 5.461 -11.447 -0.244 378 HB2 PHE 55 HB2 PHE 55 5.857 -9.138 -0.321 379 HB3 PHE 55 HB3 PHE 55 4.384 -9.303 -1.259 380 HD1 PHE 55 HD1 PHE 55 2.165 -8.835 -0.071 381 HD2 PHE 55 HD2 PHE 55 5.956 -7.680 1.486 382 HE1 PHE 55 HE1 PHE 55 1.068 -7.150 1.341 383 HE2 PHE 55 HE2 PHE 55 4.859 -5.998 2.909 384 HZ PHE 55 HZ PHE 55 2.413 -5.731 2.837 385 H THR 56 H THR 56 2.810 -10.900 1.875 386 HA THR 56 HA THR 56 4.188 -10.195 4.213 387 HB THR 56 HB THR 56 2.120 -11.012 5.376 388 HG1 THR 56 HG1 THR 56 1.531 -12.670 3.914 389 HG21 THR 56 HG21 THR 56 1.863 -9.167 3.006 390 HG22 THR 56 HG22 THR 56 2.188 -8.728 4.683 391 HG23 THR 56 HG23 THR 56 0.608 -9.360 4.224 392 H GLU 57 H GLU 57 3.907 -13.209 2.565 393 HA GLU 57 HA GLU 57 4.382 -14.864 4.858 394 HB2 GLU 57 HB2 GLU 57 4.329 -16.659 3.408 395 HB3 GLU 57 HB3 GLU 57 3.411 -15.479 2.485 396 HG2 GLU 57 HG2 GLU 57 5.289 -15.009 1.093 397 HG3 GLU 57 HG3 GLU 57 6.345 -15.991 2.108 398 H THR 58 H THR 58 6.307 -12.882 2.848 399 HA THR 58 HA THR 58 8.752 -14.051 3.995 400 HB THR 58 HB THR 58 9.948 -13.326 1.962 401 HG1 THR 58 HG1 THR 58 7.937 -12.995 0.267 402 HG21 THR 58 HG21 THR 58 9.155 -15.037 0.486 403 HG22 THR 58 HG22 THR 58 7.549 -14.990 1.216 404 HG23 THR 58 HG23 THR 58 8.918 -15.612 2.140 405 H ALA 59 H ALA 59 6.819 -11.804 4.691 406 HA ALA 59 HA ALA 59 8.861 -9.745 5.085 407 HB1 ALA 59 HB1 ALA 59 7.392 -9.035 3.246 408 HB2 ALA 59 HB2 ALA 59 5.996 -9.195 4.311 409 HB3 ALA 59 HB3 ALA 59 7.238 -7.989 4.658 410 H GLU 60 H GLU 60 8.635 -8.511 6.943 411 HA GLU 60 HA GLU 60 6.569 -9.269 8.863 412 HB2 GLU 60 HB2 GLU 60 8.799 -9.062 10.463 413 HB3 GLU 60 HB3 GLU 60 7.996 -10.554 10.005 414 HG2 GLU 60 HG2 GLU 60 9.534 -10.960 8.268 415 HG3 GLU 60 HG3 GLU 60 10.211 -9.335 8.375 416 H ASP 61 H ASP 61 6.855 -7.846 10.896 417 HA ASP 61 HA ASP 61 6.529 -5.717 11.700 418 HB2 ASP 61 HB2 ASP 61 9.167 -6.198 11.481 419 HB3 ASP 61 HB3 ASP 61 9.043 -4.820 10.402 420 H ILE 62 H ILE 62 4.957 -5.824 9.616 421 HA ILE 62 HA ILE 62 5.658 -3.873 7.615 422 HB ILE 62 HB ILE 62 2.956 -5.164 7.924 423 HG12 ILE 62 HG13 ILE 62 5.543 -6.311 6.866 424 HG13 ILE 62 3HG1 ILE 62 4.455 -7.006 8.057 425 HG21 ILE 62 HG21 ILE 62 3.117 -3.400 6.282 426 HG22 ILE 62 HG22 ILE 62 4.547 -4.146 5.569 427 HG23 ILE 62 HG23 ILE 62 2.981 -4.953 5.460 428 HD11 ILE 62 HD11 ILE 62 2.801 -7.410 6.327 429 HD12 ILE 62 HD12 ILE 62 3.876 -6.691 5.127 430 HD13 ILE 62 HD13 ILE 62 4.340 -8.185 5.942 431 H ARG 63 H ARG 63 5.581 -1.809 8.108 432 HA ARG 63 HA ARG 63 3.236 -0.790 9.576 433 HB2 ARG 63 HB2 ARG 63 5.120 1.191 9.866 434 HB3 ARG 63 HB3 ARG 63 4.681 0.009 11.090 435 HG2 ARG 63 HG2 ARG 63 6.675 -0.982 9.228 436 HG3 ARG 63 HG3 ARG 63 7.187 0.463 10.095 437 HD2 ARG 63 HD2 ARG 63 7.701 -1.776 11.189 438 HD3 ARG 63 HD3 ARG 63 6.905 -0.564 12.198 439 HE ARG 63 HE ARG 63 5.556 -2.871 10.947 440 HH11 ARG 63 HH12 ARG 63 5.849 -0.527 13.532 441 HH12 ARG 63 HH11 ARG 63 4.441 -1.101 14.378 442 HH21 ARG 63 HH22 ARG 63 3.723 -3.646 12.074 443 HH22 ARG 63 HH21 ARG 63 3.257 -2.890 13.568 444 H PHE 64 H PHE 64 2.023 0.516 8.499 445 HA PHE 64 HA PHE 64 2.883 1.479 5.886 446 HB2 PHE 64 HB2 PHE 64 0.807 0.299 5.853 447 HB3 PHE 64 HB3 PHE 64 0.177 1.240 7.196 448 HD1 PHE 64 HD2 PHE 64 1.899 2.380 4.096 449 HD2 PHE 64 HD1 PHE 64 -1.681 2.301 6.387 450 HE1 PHE 64 HE2 PHE 64 0.871 3.988 2.544 451 HE2 PHE 64 HE1 PHE 64 -2.707 3.898 4.837 452 HZ PHE 64 HZ PHE 64 -1.437 4.737 2.906 453 H HIS 65 H HIS 65 3.203 3.538 5.387 454 HA HIS 65 HA HIS 65 2.423 5.585 7.360 455 HB2 HIS 65 HB2 HIS 65 5.003 4.877 6.885 456 HB3 HIS 65 HB3 HIS 65 4.790 6.150 5.686 457 HD1 HIS 65 HD1 HIS 65 4.436 5.599 9.423 458 HD2 HIS 65 HD2 HIS 65 4.955 8.684 6.679 459 HE1 HIS 65 HE1 HIS 65 4.839 7.670 10.795 460 HE2 HIS 65 HE2 HIS 65 5.235 9.511 9.116 461 HA PRO 66 HA PRO 66 0.117 6.411 3.458 462 HB2 PRO 66 HB2 PRO 66 -1.544 8.168 4.854 463 HB3 PRO 66 HB3 PRO 66 -1.864 6.480 4.511 464 HG2 PRO 66 HG2 PRO 66 -0.852 7.735 6.996 465 HG3 PRO 66 HG3 PRO 66 -1.907 6.323 6.797 466 HD2 PRO 66 HD2 PRO 66 0.692 6.093 7.461 467 HD3 PRO 66 HD3 PRO 66 -0.127 4.890 6.443 468 H LYS 67 H LYS 67 1.242 8.635 5.831 469 HA LYS 67 HA LYS 67 1.835 10.569 3.696 470 HB2 LYS 67 HB2 LYS 67 1.487 12.305 5.688 471 HB3 LYS 67 HB3 LYS 67 0.179 11.816 4.625 472 HG2 LYS 67 HG2 LYS 67 0.559 10.161 7.032 473 HG3 LYS 67 HG3 LYS 67 0.018 11.819 7.304 474 HD2 LYS 67 HD2 LYS 67 -1.295 9.903 5.380 475 HD3 LYS 67 HD3 LYS 67 -1.833 10.159 7.041 476 HE2 LYS 67 HE2 LYS 67 -2.269 12.496 6.574 477 HE3 LYS 67 HE3 LYS 67 -1.625 12.316 4.943 478 HZ1 LYS 67 HZ1 LYS 67 -3.907 10.678 5.848 479 HZ2 LYS 67 HZ2 LYS 67 -3.455 11.097 4.264 480 HZ3 LYS 67 HZ3 LYS 67 -4.147 12.259 5.286 481 H GLU 68 H GLU 68 3.927 9.779 3.622 482 HA GLU 68 HA GLU 68 5.626 9.654 5.873 483 HB2 GLU 68 HB2 GLU 68 6.198 8.342 3.966 484 HB3 GLU 68 HB3 GLU 68 6.210 9.755 2.920 485 HG2 GLU 68 HG2 GLU 68 8.189 10.595 3.966 486 HG3 GLU 68 HG3 GLU 68 8.132 9.329 5.195 487 H GLY 69 H GLY 69 6.239 11.277 7.055 488 HA2 GLY 69 HA3 GLY 69 6.955 13.328 7.745 489 HA3 GLY 69 HA2 GLY 69 7.896 13.332 6.264 490 H ALA 70 H ALA 70 7.705 15.493 5.912 491 HA ALA 70 HA ALA 70 5.136 16.798 5.817 492 HB1 ALA 70 HB1 ALA 70 6.403 18.754 5.072 493 HB2 ALA 70 HB2 ALA 70 7.151 18.025 6.494 494 HB3 ALA 70 HB3 ALA 70 7.850 17.761 4.896 495 H ALA 71 H ALA 71 6.972 14.852 3.814 496 HA ALA 71 HA ALA 71 6.355 15.895 1.257 497 HB1 ALA 71 HB1 ALA 71 8.205 14.363 1.583 498 HB2 ALA 71 HB2 ALA 71 7.097 13.090 2.102 499 HB3 ALA 71 HB3 ALA 71 7.052 13.677 0.438 500 H GLU 72 H GLU 72 4.628 13.971 3.548 501 HA GLU 72 HA GLU 72 2.569 13.027 3.590 502 HB2 GLU 72 HB2 GLU 72 2.153 15.137 1.477 503 HB3 GLU 72 HB3 GLU 72 0.844 14.128 2.081 504 HG2 GLU 72 HG2 GLU 72 2.562 15.805 3.880 505 HG3 GLU 72 HG3 GLU 72 1.091 16.413 3.117 506 H GLN 73 H GLN 73 4.414 11.549 2.181 507 HA GLN 73 HA GLN 73 2.900 10.646 -0.170 508 HB2 GLN 73 HB2 GLN 73 5.831 10.443 0.466 509 HB3 GLN 73 HB3 GLN 73 5.075 9.439 -0.764 510 HG2 GLN 73 HG2 GLN 73 4.231 11.667 -1.740 511 HG3 GLN 73 HG3 GLN 73 5.483 12.396 -0.734 512 HE21 GLN 73 HE21 GLN 73 4.823 10.325 -3.435 513 HE22 GLN 73 HE22 GLN 73 6.431 10.305 -4.087 514 HA PRO 74 HA PRO 74 1.972 7.028 2.172 515 HB2 PRO 74 HB2 PRO 74 0.707 5.676 0.201 516 HB3 PRO 74 HB3 PRO 74 -0.043 7.034 1.049 517 HG2 PRO 74 HG2 PRO 74 1.305 6.980 -1.624 518 HG3 PRO 74 HG3 PRO 74 -0.189 7.805 -1.143 519 HD2 PRO 74 HD2 PRO 74 2.207 9.083 -1.354 520 HD3 PRO 74 HD3 PRO 74 0.947 9.581 -0.208 521 H ILE 75 H ILE 75 3.740 5.859 2.613 522 HA ILE 75 HA ILE 75 4.702 4.088 0.495 523 HB ILE 75 HB ILE 75 6.982 4.430 0.905 524 HG12 ILE 75 HG13 ILE 75 7.439 6.343 2.800 525 HG13 ILE 75 3HG1 ILE 75 6.086 5.462 3.510 526 HG21 ILE 75 HG21 ILE 75 7.333 6.878 0.642 527 HG22 ILE 75 HG22 ILE 75 6.113 6.200 -0.437 528 HG23 ILE 75 HG23 ILE 75 5.617 7.110 0.991 529 HD11 ILE 75 HD11 ILE 75 7.325 3.385 3.342 530 HD12 ILE 75 HD12 ILE 75 8.665 4.230 2.565 531 HD13 ILE 75 HD13 ILE 75 8.250 4.592 4.240 532 H LEU 76 H LEU 76 5.267 2.074 1.169 533 HA LEU 76 HA LEU 76 4.592 1.460 3.965 534 HB2 LEU 76 HB2 LEU 76 2.989 0.603 2.323 535 HB3 LEU 76 HB3 LEU 76 4.277 -0.217 1.474 536 HG LEU 76 HG LEU 76 2.665 -1.519 3.066 537 HD11 LEU 76 HD11 LEU 76 4.504 -2.540 1.856 538 HD12 LEU 76 HD12 LEU 76 5.648 -1.946 3.061 539 HD13 LEU 76 HD13 LEU 76 4.444 -3.154 3.509 540 HD21 LEU 76 HD21 LEU 76 3.041 -0.117 5.018 541 HD22 LEU 76 HD22 LEU 76 3.538 -1.782 5.314 542 HD23 LEU 76 HD23 LEU 76 4.752 -0.544 4.997 543 H ARG 77 H ARG 77 6.191 0.711 5.184 544 HA ARG 77 HA ARG 77 8.461 -0.582 3.832 545 HB2 ARG 77 HB2 ARG 77 10.024 0.409 5.279 546 HB3 ARG 77 HB3 ARG 77 8.943 1.719 4.837 547 HG2 ARG 77 HG2 ARG 77 8.616 0.166 7.384 548 HG3 ARG 77 HG3 ARG 77 9.670 1.571 7.257 549 HD2 ARG 77 HD2 ARG 77 6.720 1.528 6.669 550 HD3 ARG 77 HD3 ARG 77 7.456 2.144 8.149 551 HE ARG 77 HE ARG 77 7.758 3.338 5.471 552 HH11 ARG 77 HH12 ARG 77 7.879 3.598 8.961 553 HH12 ARG 77 HH11 ARG 77 8.124 5.317 8.953 554 HH21 ARG 77 HH22 ARG 77 8.111 5.619 5.467 555 HH22 ARG 77 HH21 ARG 77 8.266 6.454 6.983 556 H ALA 78 H ALA 78 9.226 -2.423 4.679 557 HA ALA 78 HA ALA 78 8.393 -3.434 7.253 558 HB1 ALA 78 HB1 ALA 78 7.272 -5.423 6.391 559 HB2 ALA 78 HB2 ALA 78 6.428 -3.966 5.865 560 HB3 ALA 78 HB3 ALA 78 7.468 -4.838 4.738 561 H ARG 79 H ARG 79 9.306 -5.742 7.518 562 HA ARG 79 HA ARG 79 12.020 -5.699 6.477 563 HB2 ARG 79 HB2 ARG 79 10.998 -7.977 8.123 564 HB3 ARG 79 HB3 ARG 79 12.587 -7.234 8.122 565 HG2 ARG 79 HG2 ARG 79 10.085 -6.189 9.421 566 HG3 ARG 79 HG3 ARG 79 11.532 -6.804 10.215 567 HD2 ARG 79 HD2 ARG 79 12.807 -4.915 9.211 568 HD3 ARG 79 HD3 ARG 79 11.278 -4.298 8.579 569 HE ARG 79 HE ARG 79 10.535 -4.009 10.874 570 HH11 ARG 79 HH12 ARG 79 13.986 -4.401 10.367 571 HH12 ARG 79 HH11 ARG 79 14.404 -3.669 11.892 572 HH21 ARG 79 HH22 ARG 79 11.075 -3.074 12.842 573 HH22 ARG 79 HH21 ARG 79 12.747 -2.926 13.305 574 H LEU 80 H LEU 80 12.422 -6.599 4.581 575 HA LEU 80 HA LEU 80 10.667 -8.731 3.617 576 HB2 LEU 80 HB2 LEU 80 12.263 -6.593 2.344 577 HB3 LEU 80 HB3 LEU 80 12.214 -8.123 1.493 578 HG LEU 80 HG LEU 80 9.884 -7.998 1.190 579 HD11 LEU 80 HD11 LEU 80 9.245 -7.301 3.410 580 HD12 LEU 80 HD12 LEU 80 9.842 -5.671 3.079 581 HD13 LEU 80 HD13 LEU 80 8.460 -6.305 2.182 582 HD21 LEU 80 HD21 LEU 80 11.069 -5.273 0.818 583 HD22 LEU 80 HD22 LEU 80 11.106 -6.613 -0.330 584 HD23 LEU 80 HD23 LEU 80 9.572 -5.838 0.071 585 H ARG 81 H ARG 81 11.366 -10.737 3.390 586 HA ARG 81 HA ARG 81 13.983 -11.423 4.318 587 HB2 ARG 81 HB2 ARG 81 12.218 -12.939 4.836 588 HB3 ARG 81 HB3 ARG 81 11.734 -13.058 3.151 589 HG2 ARG 81 HG2 ARG 81 14.497 -13.880 3.730 590 HG3 ARG 81 HG3 ARG 81 13.242 -14.890 4.434 591 HD2 ARG 81 HD2 ARG 81 12.197 -14.896 2.091 592 HD3 ARG 81 HD3 ARG 81 13.745 -14.246 1.545 593 HE ARG 81 HE ARG 81 14.793 -16.282 2.188 594 HH11 ARG 81 HH12 ARG 81 11.309 -16.354 2.465 595 HH12 ARG 81 HH11 ARG 81 11.201 -18.087 2.341 596 HH21 ARG 81 HH22 ARG 81 14.665 -18.559 2.003 597 HH22 ARG 81 HH21 ARG 81 13.106 -19.334 2.055 598 H ASP 82 H ASP 82 15.739 -11.980 3.209 599 HA ASP 82 HA ASP 82 15.687 -11.460 0.337 600 HB2 ASP 82 HB2 ASP 82 17.991 -11.649 2.268 601 HB3 ASP 82 HB3 ASP 82 18.172 -11.446 0.532 602 H CYS 83 H CYS 83 17.392 -12.825 -0.899 603 HA CYS 83 HA CYS 83 16.380 -15.410 -1.064 604 HB2 CYS 83 HB2 CYS 83 18.397 -15.849 -2.508 605 HB3 CYS 83 HB3 CYS 83 17.453 -14.434 -2.956 606 HG CYS 83 HG CYS 83 19.213 -12.574 -1.931 607 H ASN 84 H ASN 84 18.960 -14.169 0.906 608 HA ASN 84 HA ASN 84 20.155 -16.719 1.440 609 HB2 ASN 84 HB2 ASN 84 21.414 -14.601 1.650 610 HB3 ASN 84 HB3 ASN 84 20.401 -14.154 3.020 611 HD21 ASN 84 HD21 ASN 84 22.773 -16.440 1.852 612 HD22 ASN 84 HD22 ASN 84 23.333 -16.953 3.410 613 H GLY 85 H GLY 85 17.394 -15.104 2.627 614 HA2 GLY 85 HA3 GLY 85 15.750 -16.205 3.943 615 HA3 GLY 85 HA2 GLY 85 17.009 -17.249 4.596 616 H GLU 86 H GLU 86 17.115 -13.787 4.292 617 HA GLU 86 HA GLU 86 17.177 -13.549 7.225 618 HB2 GLU 86 HB2 GLU 86 18.788 -11.739 6.956 619 HB3 GLU 86 HB3 GLU 86 19.382 -13.191 6.161 620 HG2 GLU 86 HG2 GLU 86 18.532 -12.276 4.012 621 HG3 GLU 86 HG3 GLU 86 18.169 -10.776 4.859 622 H PHE 87 H PHE 87 17.071 -10.778 7.370 623 HA PHE 87 HA PHE 87 14.703 -10.028 5.819 624 HB2 PHE 87 HB2 PHE 87 13.591 -9.142 7.863 625 HB3 PHE 87 HB3 PHE 87 13.759 -10.893 7.884 626 HD1 PHE 87 HD1 PHE 87 15.433 -11.952 9.356 627 HD2 PHE 87 HD2 PHE 87 14.655 -7.771 9.479 628 HE1 PHE 87 HE1 PHE 87 16.535 -11.814 11.551 629 HE2 PHE 87 HE2 PHE 87 15.761 -7.624 11.669 630 HZ PHE 87 HZ PHE 87 16.704 -9.650 12.707 631 H HIS 88 H HIS 88 14.628 -8.094 5.167 632 HA HIS 88 HA HIS 88 16.411 -6.061 6.305 633 HB2 HIS 88 HB2 HIS 88 16.345 -7.112 3.501 634 HB3 HIS 88 HB3 HIS 88 16.768 -5.444 3.795 635 HD1 HIS 88 HD1 HIS 88 19.153 -4.969 4.419 636 HD2 HIS 88 HD2 HIS 88 18.162 -8.995 4.753 637 HE1 HIS 88 HE1 HIS 88 21.319 -6.173 4.880 638 HE2 HIS 88 HE2 HIS 88 20.683 -8.602 5.140 639 H ASP 89 H ASP 89 15.165 -4.345 6.771 640 HA ASP 89 HA ASP 89 12.512 -4.148 5.816 641 HB2 ASP 89 HB2 ASP 89 12.405 -1.990 6.974 642 HB3 ASP 89 HB3 ASP 89 13.088 -3.243 7.997 643 H ARG 90 H ARG 90 11.832 -3.536 3.947 644 HA ARG 90 HA ARG 90 13.441 -1.596 2.410 645 HB2 ARG 90 HB2 ARG 90 11.417 -3.557 1.309 646 HB3 ARG 90 HB3 ARG 90 12.557 -2.586 0.392 647 HG2 ARG 90 HG2 ARG 90 13.252 -4.859 2.241 648 HG3 ARG 90 HG3 ARG 90 13.233 -4.920 0.479 649 HD2 ARG 90 HD2 ARG 90 14.997 -3.174 0.453 650 HD3 ARG 90 HD3 ARG 90 15.056 -3.257 2.214 651 HE ARG 90 HE ARG 90 15.401 -5.841 1.207 652 HH11 ARG 90 HH12 ARG 90 17.122 -2.800 1.368 653 HH12 ARG 90 HH11 ARG 90 18.688 -3.537 1.157 654 HH21 ARG 90 HH22 ARG 90 17.459 -6.817 0.933 655 HH22 ARG 90 HH21 ARG 90 18.873 -5.807 0.899 656 H ASP 91 H ASP 91 11.821 -0.443 0.763 657 HA ASP 91 HA ASP 91 9.309 0.184 2.091 658 HB2 ASP 91 HB2 ASP 91 9.699 2.603 1.914 659 HB3 ASP 91 HB3 ASP 91 10.884 1.845 2.968 660 H VAL 92 H VAL 92 7.747 1.029 0.692 661 HA VAL 92 HA VAL 92 8.512 1.124 -2.130 662 HB VAL 92 HB VAL 92 7.670 -1.144 -1.643 663 HG11 VAL 92 HG11 VAL 92 5.056 0.226 -1.057 664 HG12 VAL 92 HG12 VAL 92 5.309 -1.514 -1.187 665 HG13 VAL 92 HG13 VAL 92 6.072 -0.608 0.120 666 HG21 VAL 92 HG21 VAL 92 5.949 0.499 -3.467 667 HG22 VAL 92 HG22 VAL 92 7.507 -0.234 -3.859 668 HG23 VAL 92 HG23 VAL 92 6.113 -1.257 -3.512 669 H ASN 93 H ASN 93 7.315 2.394 -3.407 670 HA ASN 93 HA ASN 93 5.918 4.555 -2.117 671 HB2 ASN 93 HB2 ASN 93 6.958 3.975 -4.843 672 HB3 ASN 93 HB3 ASN 93 5.607 5.092 -4.736 673 HD21 ASN 93 HD21 ASN 93 8.048 4.827 -2.223 674 HD22 ASN 93 HD22 ASN 93 8.767 6.372 -2.526 675 H LEU 94 H LEU 94 3.853 4.180 -1.486 676 HA LEU 94 HA LEU 94 2.156 2.392 -2.993 677 HB2 LEU 94 HB2 LEU 94 1.503 4.173 -0.642 678 HB3 LEU 94 HB3 LEU 94 0.412 2.999 -1.347 679 HG LEU 94 HG LEU 94 2.797 2.574 0.386 680 HD11 LEU 94 HD11 LEU 94 0.556 2.573 1.333 681 HD12 LEU 94 HD12 LEU 94 0.082 1.284 0.228 682 HD13 LEU 94 HD13 LEU 94 1.306 0.982 1.462 683 HD21 LEU 94 HD21 LEU 94 1.738 0.531 -1.569 684 HD22 LEU 94 HD22 LEU 94 3.344 1.257 -1.586 685 HD23 LEU 94 HD23 LEU 94 2.869 0.199 -0.257 686 H ASN 95 H ASN 95 3.186 5.364 -3.583 687 HA ASN 95 HA ASN 95 0.941 6.900 -4.238 688 HB2 ASN 95 HB2 ASN 95 3.584 6.889 -5.717 689 HB3 ASN 95 HB3 ASN 95 2.408 8.197 -5.677 690 HD21 ASN 95 HD21 ASN 95 4.942 6.582 -4.030 691 HD22 ASN 95 HD22 ASN 95 5.113 7.694 -2.733 692 H ARG 96 H ARG 96 2.262 4.096 -5.663 693 HA ARG 96 HA ARG 96 1.414 4.396 -8.324 694 HB2 ARG 96 HB2 ARG 96 2.078 2.044 -6.603 695 HB3 ARG 96 HB3 ARG 96 1.386 1.794 -8.198 696 HG2 ARG 96 HG2 ARG 96 3.801 1.628 -8.266 697 HG3 ARG 96 HG3 ARG 96 3.245 3.012 -9.203 698 HD2 ARG 96 HD2 ARG 96 3.970 3.489 -6.362 699 HD3 ARG 96 HD3 ARG 96 5.276 3.155 -7.492 700 HE ARG 96 HE ARG 96 3.349 5.276 -8.109 701 HH11 ARG 96 HH12 ARG 96 6.611 4.233 -7.432 702 HH12 ARG 96 HH11 ARG 96 7.319 5.800 -7.680 703 HH21 ARG 96 HH22 ARG 96 4.259 7.373 -8.421 704 HH22 ARG 96 HH21 ARG 96 5.982 7.589 -8.229 705 H ILE 97 H ILE 97 -0.266 3.739 -5.407 706 HA ILE 97 HA ILE 97 -2.577 2.564 -6.694 707 HB ILE 97 HB ILE 97 -2.260 3.502 -3.840 708 HG12 ILE 97 HG13 ILE 97 -2.072 0.632 -4.651 709 HG13 ILE 97 3HG1 ILE 97 -0.664 1.660 -4.904 710 HG21 ILE 97 HG21 ILE 97 -4.095 1.954 -3.387 711 HG22 ILE 97 HG22 ILE 97 -4.577 3.187 -4.551 712 HG23 ILE 97 HG23 ILE 97 -4.190 1.556 -5.101 713 HD11 ILE 97 HD11 ILE 97 -0.597 2.199 -2.562 714 HD12 ILE 97 HD12 ILE 97 -2.064 1.258 -2.276 715 HD13 ILE 97 HD13 ILE 97 -0.581 0.450 -2.786 716 H GLN 98 H GLN 98 -4.237 3.673 -7.455 717 HA GLN 98 HA GLN 98 -4.564 6.474 -6.647 718 HB2 GLN 98 HB2 GLN 98 -4.947 5.287 -9.401 719 HB3 GLN 98 HB3 GLN 98 -5.235 6.958 -8.956 720 HG2 GLN 98 HG2 GLN 98 -2.886 7.255 -8.431 721 HG3 GLN 98 HG3 GLN 98 -2.577 5.564 -8.812 722 HE21 GLN 98 HE21 GLN 98 -1.404 7.934 -9.957 723 HE22 GLN 98 HE22 GLN 98 -1.726 7.866 -11.659 724 H ASN 99 H ASN 99 -6.712 7.255 -6.662 725 HA ASN 99 HA ASN 99 -8.674 5.180 -6.096 726 HB2 ASN 99 HB2 ASN 99 -8.772 6.711 -4.371 727 HB3 ASN 99 HB3 ASN 99 -8.394 8.076 -5.416 728 HD21 ASN 99 HD21 ASN 99 -10.016 9.234 -6.305 729 HD22 ASN 99 HD22 ASN 99 -11.691 8.935 -6.007 730 H VAL 100 H VAL 100 -9.987 4.539 -7.621 731 HA VAL 100 HA VAL 100 -10.721 6.431 -9.758 732 HB VAL 100 HB VAL 100 -10.693 3.411 -9.906 733 HG11 VAL 100 HG11 VAL 100 -11.223 5.490 -12.027 734 HG12 VAL 100 HG12 VAL 100 -11.084 3.754 -12.307 735 HG13 VAL 100 HG13 VAL 100 -12.404 4.385 -11.323 736 HG21 VAL 100 HG21 VAL 100 -8.790 3.711 -11.433 737 HG22 VAL 100 HG22 VAL 100 -8.806 5.444 -11.094 738 HG23 VAL 100 HG23 VAL 100 -8.439 4.297 -9.807 739 H ASN 101 H ASN 101 -12.555 7.303 -8.952 740 HA ASN 101 HA ASN 101 -14.733 7.521 -8.372 741 HB2 ASN 101 HB2 ASN 101 -14.938 6.195 -10.531 742 HB3 ASN 101 HB3 ASN 101 -15.158 4.770 -9.520 743 HD21 ASN 101 HD21 ASN 101 -17.236 4.423 -10.314 744 HD22 ASN 101 HD22 ASN 101 -18.570 5.422 -9.847 745 H GLY 102 H GLY 102 -12.850 6.114 -6.508 746 HA2 GLY 102 HA3 GLY 102 -13.486 5.815 -4.198 747 HA3 GLY 102 HA2 GLY 102 -14.974 5.069 -4.754 748 H ARG 103 H ARG 103 -12.057 4.137 -6.344 749 HA ARG 103 HA ARG 103 -11.902 1.737 -4.662 750 HB2 ARG 103 HB2 ARG 103 -11.834 0.278 -6.512 751 HB3 ARG 103 HB3 ARG 103 -13.166 1.376 -6.840 752 HG2 ARG 103 HG2 ARG 103 -11.616 2.694 -8.289 753 HG3 ARG 103 HG3 ARG 103 -10.423 1.413 -8.070 754 HD2 ARG 103 HD2 ARG 103 -11.643 1.110 -10.152 755 HD3 ARG 103 HD3 ARG 103 -11.986 -0.207 -9.027 756 HE ARG 103 HE ARG 103 -13.887 1.927 -8.853 757 HH11 ARG 103 HH12 ARG 103 -13.007 -0.920 -10.679 758 HH12 ARG 103 HH11 ARG 103 -14.642 -1.272 -11.172 759 HH21 ARG 103 HH22 ARG 103 -16.028 1.493 -9.488 760 HH22 ARG 103 HH21 ARG 103 -16.371 0.104 -10.482 761 H LEU 104 H LEU 104 -9.876 0.953 -4.277 762 HA LEU 104 HA LEU 104 -7.668 2.699 -4.981 763 HB2 LEU 104 HB2 LEU 104 -8.241 0.707 -2.924 764 HB3 LEU 104 HB3 LEU 104 -6.625 0.546 -3.583 765 HG LEU 104 HG LEU 104 -6.013 2.736 -2.895 766 HD11 LEU 104 HD11 LEU 104 -7.570 4.305 -1.878 767 HD12 LEU 104 HD12 LEU 104 -8.070 3.886 -3.518 768 HD13 LEU 104 HD13 LEU 104 -8.895 3.171 -2.132 769 HD21 LEU 104 HD21 LEU 104 -5.952 1.084 -1.131 770 HD22 LEU 104 HD22 LEU 104 -6.422 2.650 -0.470 771 HD23 LEU 104 HD23 LEU 104 -7.641 1.404 -0.735 772 H VAL 105 H VAL 105 -6.584 2.409 -6.788 773 HA VAL 105 HA VAL 105 -6.362 -0.326 -7.868 774 HB VAL 105 HB VAL 105 -6.264 2.271 -9.417 775 HG11 VAL 105 HG11 VAL 105 -4.901 0.536 -10.435 776 HG12 VAL 105 HG12 VAL 105 -6.251 -0.597 -10.355 777 HG13 VAL 105 HG13 VAL 105 -6.350 0.821 -11.401 778 HG21 VAL 105 HG21 VAL 105 -8.426 1.575 -10.348 779 HG22 VAL 105 HG22 VAL 105 -8.444 0.193 -9.252 780 HG23 VAL 105 HG23 VAL 105 -8.514 1.832 -8.606 781 H PHE 106 H PHE 106 -4.441 -1.153 -7.828 782 HA PHE 106 HA PHE 106 -2.119 0.440 -7.193 783 HB2 PHE 106 HB2 PHE 106 -0.996 -1.685 -6.914 784 HB3 PHE 106 HB3 PHE 106 -2.586 -1.791 -6.163 785 HD1 PHE 106 HD2 PHE 106 -4.479 -2.806 -7.632 786 HD2 PHE 106 HD1 PHE 106 -0.326 -3.325 -8.407 787 HE1 PHE 106 HE2 PHE 106 -4.985 -4.786 -8.999 788 HE2 PHE 106 HE1 PHE 106 -0.828 -5.302 -9.781 789 HZ PHE 106 HZ PHE 106 -3.161 -6.035 -10.077 790 H GLN 107 H GLN 107 -0.329 0.750 -8.494 791 HA GLN 107 HA GLN 107 0.913 1.031 -10.365 792 HB2 GLN 107 HB2 GLN 107 -0.565 -1.456 -11.214 793 HB3 GLN 107 HB3 GLN 107 0.679 -0.698 -12.197 794 HG2 GLN 107 HG2 GLN 107 2.314 -1.058 -10.440 795 HG3 GLN 107 HG3 GLN 107 1.070 -1.771 -9.412 796 HE21 GLN 107 HE21 GLN 107 3.008 -2.191 -12.273 797 HE22 GLN 107 HE22 GLN 107 2.752 -3.894 -12.438 Start of MODEL 22 1 H MET 1 H MET 1 -3.799 12.311 -8.710 2 HA MET 1 HA MET 1 -0.851 12.404 -8.926 3 HB2 MET 1 HB2 MET 1 -1.601 14.184 -7.457 4 HB3 MET 1 HB3 MET 1 -2.664 13.078 -6.600 5 HG2 MET 1 HG2 MET 1 -0.651 13.578 -5.326 6 HG3 MET 1 HG3 MET 1 -0.758 11.867 -5.733 7 HE1 MET 1 HE1 MET 1 1.904 13.123 -4.669 8 HE2 MET 1 HE2 MET 1 1.788 11.440 -5.187 9 HE3 MET 1 HE3 MET 1 3.096 12.459 -5.788 10 H SER 2 H SER 2 -3.010 11.224 -6.399 11 HA SER 2 HA SER 2 -2.713 8.458 -7.110 12 HB2 SER 2 HB2 SER 2 -1.363 9.464 -4.581 13 HB3 SER 2 HB3 SER 2 -1.506 7.779 -5.081 14 HG SER 2 HG SER 2 -0.035 8.095 -6.642 15 H TYR 3 H TYR 3 -3.552 7.153 -4.970 16 HA TYR 3 HA TYR 3 -6.190 8.069 -4.570 17 HB2 TYR 3 HB2 TYR 3 -6.521 6.147 -3.257 18 HB3 TYR 3 HB3 TYR 3 -5.267 5.669 -4.394 19 HD1 TYR 3 HD1 TYR 3 -2.848 5.676 -3.574 20 HD2 TYR 3 HD2 TYR 3 -6.178 5.994 -0.950 21 HE1 TYR 3 HE1 TYR 3 -1.424 4.994 -1.691 22 HE2 TYR 3 HE2 TYR 3 -4.770 5.316 0.940 23 HH TYR 3 HH TYR 3 -1.389 5.220 0.762 24 H ALA 4 H ALA 4 -3.276 8.277 -2.616 25 HA ALA 4 HA ALA 4 -4.286 9.165 -0.201 26 HB1 ALA 4 HB1 ALA 4 -2.076 10.078 0.232 27 HB2 ALA 4 HB2 ALA 4 -1.969 8.492 -0.532 28 HB3 ALA 4 HB3 ALA 4 -1.678 9.952 -1.482 29 H ASP 5 H ASP 5 -3.980 10.913 -3.179 30 HA ASP 5 HA ASP 5 -3.888 13.545 -2.322 31 HB2 ASP 5 HB2 ASP 5 -3.708 13.086 -4.662 32 HB3 ASP 5 HB3 ASP 5 -5.283 12.299 -4.694 33 H SER 6 H SER 6 -6.556 11.290 -2.344 34 HA SER 6 HA SER 6 -8.172 13.279 -0.909 35 HB2 SER 6 HB2 SER 6 -9.210 11.461 -3.096 36 HB3 SER 6 HB3 SER 6 -10.173 12.586 -2.138 37 HG SER 6 HG SER 6 -7.947 13.506 -3.619 38 H SER 7 H SER 7 -6.571 11.078 0.093 39 HA SER 7 HA SER 7 -8.705 9.306 1.086 40 HB2 SER 7 HB2 SER 7 -5.779 8.714 0.671 41 HB3 SER 7 HB3 SER 7 -6.889 7.639 1.518 42 HG SER 7 HG SER 7 -7.193 8.535 -1.160 43 H ARG 8 H ARG 8 -8.555 8.535 3.211 44 HA ARG 8 HA ARG 8 -6.756 9.778 5.094 45 HB2 ARG 8 HB2 ARG 8 -8.377 10.911 6.404 46 HB3 ARG 8 HB3 ARG 8 -8.702 11.406 4.748 47 HG2 ARG 8 HG2 ARG 8 -10.294 9.187 5.061 48 HG3 ARG 8 HG3 ARG 8 -10.387 9.980 6.634 49 HD2 ARG 8 HD2 ARG 8 -12.144 10.835 5.245 50 HD3 ARG 8 HD3 ARG 8 -10.937 12.103 5.464 51 HE ARG 8 HE ARG 8 -10.936 10.417 3.056 52 HH11 ARG 8 HH12 ARG 8 -11.135 13.573 4.551 53 HH12 ARG 8 HH11 ARG 8 -11.020 14.437 3.050 54 HH21 ARG 8 HH22 ARG 8 -10.734 11.550 1.080 55 HH22 ARG 8 HH21 ARG 8 -10.778 13.288 1.076 56 H ASN 9 H ASN 9 -7.333 8.904 7.348 57 HA ASN 9 HA ASN 9 -7.478 7.082 8.707 58 HB2 ASN 9 HB2 ASN 9 -9.925 7.526 8.062 59 HB3 ASN 9 HB3 ASN 9 -9.761 6.165 6.973 60 HD21 ASN 9 HD21 ASN 9 -11.398 5.091 8.130 61 HD22 ASN 9 HD22 ASN 9 -11.068 4.331 9.649 62 H ALA 10 H ALA 10 -5.754 6.921 6.399 63 HA ALA 10 HA ALA 10 -6.003 4.272 5.310 64 HB1 ALA 10 HB1 ALA 10 -5.035 6.220 4.078 65 HB2 ALA 10 HB2 ALA 10 -3.630 6.119 5.137 66 HB3 ALA 10 HB3 ALA 10 -4.028 4.774 4.064 67 H VAL 11 H VAL 11 -5.525 2.522 6.446 68 HA VAL 11 HA VAL 11 -3.101 2.454 8.097 69 HB VAL 11 HB VAL 11 -5.767 1.447 9.132 70 HG11 VAL 11 HG11 VAL 11 -3.855 0.199 9.959 71 HG12 VAL 11 HG12 VAL 11 -3.082 1.696 10.483 72 HG13 VAL 11 HG13 VAL 11 -4.576 1.158 11.251 73 HG21 VAL 11 HG21 VAL 11 -5.707 3.278 10.755 74 HG22 VAL 11 HG22 VAL 11 -4.266 3.927 9.973 75 HG23 VAL 11 HG23 VAL 11 -5.797 3.883 9.101 76 H LEU 12 H LEU 12 -2.200 0.353 8.246 77 HA LEU 12 HA LEU 12 -3.098 -1.485 6.206 78 HB2 LEU 12 HB2 LEU 12 -0.637 -0.962 7.537 79 HB3 LEU 12 HB3 LEU 12 -1.071 -2.624 7.874 80 HG LEU 12 HG LEU 12 -1.082 -3.196 5.568 81 HD11 LEU 12 HD11 LEU 12 -0.746 -0.254 4.996 82 HD12 LEU 12 HD12 LEU 12 -0.691 -1.546 3.797 83 HD13 LEU 12 HD13 LEU 12 -2.185 -1.224 4.678 84 HD21 LEU 12 HD21 LEU 12 1.252 -1.389 6.172 85 HD22 LEU 12 HD22 LEU 12 1.116 -3.098 6.576 86 HD23 LEU 12 HD23 LEU 12 1.201 -2.597 4.888 87 H THR 13 H THR 13 -3.931 -3.524 6.532 88 HA THR 13 HA THR 13 -4.709 -4.216 9.281 89 HB THR 13 HB THR 13 -6.458 -4.665 6.851 90 HG1 THR 13 HG1 THR 13 -5.940 -2.351 8.069 91 HG21 THR 13 HG21 THR 13 -8.225 -5.001 8.506 92 HG22 THR 13 HG22 THR 13 -7.088 -4.659 9.812 93 HG23 THR 13 HG23 THR 13 -6.881 -6.102 8.819 94 H ASN 14 H ASN 14 -5.236 -6.537 9.505 95 HA ASN 14 HA ASN 14 -4.903 -8.769 9.205 96 HB2 ASN 14 HB2 ASN 14 -5.367 -7.906 6.684 97 HB3 ASN 14 HB3 ASN 14 -3.727 -8.518 6.503 98 HD21 ASN 14 HD21 ASN 14 -4.072 -10.594 8.526 99 HD22 ASN 14 HD22 ASN 14 -5.070 -11.811 7.799 100 H GLY 15 H GLY 15 -2.641 -6.523 9.482 101 HA2 GLY 15 HA3 GLY 15 -0.533 -6.894 10.500 102 HA3 GLY 15 HA2 GLY 15 -0.493 -8.502 9.790 103 H GLY 16 H GLY 16 -1.441 -5.828 7.851 104 HA2 GLY 16 HA3 GLY 16 -0.062 -4.478 6.460 105 HA3 GLY 16 HA2 GLY 16 1.246 -5.628 6.690 106 H ARG 17 H ARG 17 -1.799 -7.029 6.089 107 HA ARG 17 HA ARG 17 -0.883 -7.773 3.412 108 HB2 ARG 17 HB2 ARG 17 -3.270 -9.026 4.711 109 HB3 ARG 17 HB3 ARG 17 -2.132 -9.723 3.570 110 HG2 ARG 17 HG2 ARG 17 -0.424 -9.655 5.441 111 HG3 ARG 17 HG3 ARG 17 -1.766 -9.278 6.512 112 HD2 ARG 17 HD2 ARG 17 -1.326 -11.659 6.545 113 HD3 ARG 17 HD3 ARG 17 -2.896 -11.344 5.807 114 HE ARG 17 HE ARG 17 -0.647 -11.619 3.982 115 HH11 ARG 17 HH12 ARG 17 -3.361 -13.171 5.543 116 HH12 ARG 17 HH11 ARG 17 -3.451 -14.471 4.394 117 HH21 ARG 17 HH22 ARG 17 -0.784 -13.315 2.430 118 HH22 ARG 17 HH21 ARG 17 -1.998 -14.544 2.624 119 H THR 18 H THR 18 -3.178 -5.786 4.973 120 HA THR 18 HA THR 18 -4.565 -5.410 2.405 121 HB THR 18 HB THR 18 -5.922 -5.408 5.109 122 HG1 THR 18 HG1 THR 18 -6.247 -7.329 3.006 123 HG21 THR 18 HG21 THR 18 -6.963 -3.894 3.504 124 HG22 THR 18 HG22 THR 18 -7.993 -5.299 3.798 125 HG23 THR 18 HG23 THR 18 -7.044 -5.197 2.314 126 H LEU 19 H LEU 19 -4.640 -3.357 1.766 127 HA LEU 19 HA LEU 19 -3.902 -1.234 3.628 128 HB2 LEU 19 HB2 LEU 19 -2.686 -1.336 1.540 129 HB3 LEU 19 HB3 LEU 19 -4.181 -1.334 0.626 130 HG LEU 19 HG LEU 19 -4.626 0.970 1.415 131 HD11 LEU 19 HD11 LEU 19 -3.383 0.926 3.493 132 HD12 LEU 19 HD12 LEU 19 -1.870 0.738 2.606 133 HD13 LEU 19 HD13 LEU 19 -2.800 2.231 2.459 134 HD21 LEU 19 HD21 LEU 19 -3.593 0.612 -0.731 135 HD22 LEU 19 HD22 LEU 19 -2.878 2.029 0.038 136 HD23 LEU 19 HD23 LEU 19 -2.001 0.496 0.018 137 H ARG 20 H ARG 20 -5.602 -0.431 4.715 138 HA ARG 20 HA ARG 20 -8.169 -0.100 3.308 139 HB2 ARG 20 HB2 ARG 20 -7.925 -1.448 5.497 140 HB3 ARG 20 HB3 ARG 20 -7.714 0.108 6.280 141 HG2 ARG 20 HG2 ARG 20 -10.134 -0.619 4.651 142 HG3 ARG 20 HG3 ARG 20 -10.016 -0.864 6.393 143 HD2 ARG 20 HD2 ARG 20 -10.107 1.702 4.844 144 HD3 ARG 20 HD3 ARG 20 -11.149 1.167 6.160 145 HE ARG 20 HE ARG 20 -8.592 2.481 6.373 146 HH11 ARG 20 HH12 ARG 20 -10.979 0.525 8.059 147 HH12 ARG 20 HH11 ARG 20 -10.421 1.015 9.634 148 HH21 ARG 20 HH22 ARG 20 -7.880 3.105 8.433 149 HH22 ARG 20 HH21 ARG 20 -8.642 2.439 9.850 150 H ALA 21 H ALA 21 -8.750 1.902 2.725 151 HA ALA 21 HA ALA 21 -8.034 4.193 4.379 152 HB1 ALA 21 HB1 ALA 21 -7.068 5.444 2.506 153 HB2 ALA 21 HB2 ALA 21 -6.127 3.991 2.846 154 HB3 ALA 21 HB3 ALA 21 -7.225 4.027 1.466 155 H GLU 22 H GLU 22 -9.220 6.133 3.714 156 HA GLU 22 HA GLU 22 -11.680 5.412 2.248 157 HB2 GLU 22 HB2 GLU 22 -11.514 7.645 4.257 158 HB3 GLU 22 HB3 GLU 22 -12.942 6.791 3.677 159 HG2 GLU 22 HG2 GLU 22 -11.771 4.729 4.776 160 HG3 GLU 22 HG3 GLU 22 -10.922 5.975 5.691 161 H CYS 23 H CYS 23 -11.633 6.250 0.280 162 HA CYS 23 HA CYS 23 -10.523 8.960 -0.052 163 HB2 CYS 23 HB2 CYS 23 -9.138 7.198 -1.123 164 HB3 CYS 23 HB3 CYS 23 -10.531 6.726 -2.090 165 HG CYS 23 HG CYS 23 -10.588 8.853 -3.711 166 H ARG 24 H ARG 24 -11.628 10.377 -1.346 167 HA ARG 24 HA ARG 24 -14.436 9.953 -1.573 168 HB2 ARG 24 HB2 ARG 24 -14.421 12.186 -1.480 169 HB3 ARG 24 HB3 ARG 24 -12.667 12.179 -1.577 170 HG2 ARG 24 HG2 ARG 24 -14.380 12.053 -4.034 171 HG3 ARG 24 HG3 ARG 24 -13.960 13.584 -3.264 172 HD2 ARG 24 HD2 ARG 24 -11.766 13.447 -3.862 173 HD3 ARG 24 HD3 ARG 24 -11.751 11.683 -3.820 174 HE ARG 24 HE ARG 24 -13.300 12.117 -5.935 175 HH11 ARG 24 HH12 ARG 24 -10.223 13.525 -4.990 176 HH12 ARG 24 HH11 ARG 24 -9.712 13.840 -6.619 177 HH21 ARG 24 HH22 ARG 24 -12.622 12.563 -8.108 178 HH22 ARG 24 HH21 ARG 24 -11.086 13.332 -8.379 179 H ASN 25 H ASN 25 -15.674 9.696 -3.429 180 HA ASN 25 HA ASN 25 -14.238 8.480 -5.650 181 HB2 ASN 25 HB2 ASN 25 -16.279 7.468 -6.274 182 HB3 ASN 25 HB3 ASN 25 -16.235 7.423 -4.527 183 HD21 ASN 25 HD21 ASN 25 -17.661 8.681 -3.335 184 HD22 ASN 25 HD22 ASN 25 -19.074 9.369 -4.061 185 H ALA 26 H ALA 26 -15.840 8.879 -7.797 186 HA ALA 26 HA ALA 26 -14.985 11.334 -8.801 187 HB1 ALA 26 HB1 ALA 26 -17.285 9.641 -9.765 188 HB2 ALA 26 HB2 ALA 26 -16.468 10.901 -10.689 189 HB3 ALA 26 HB3 ALA 26 -15.591 9.446 -10.217 190 H ASP 27 H ASP 27 -17.993 10.469 -7.210 191 HA ASP 27 HA ASP 27 -19.363 12.909 -7.800 192 HB2 ASP 27 HB2 ASP 27 -20.488 10.756 -7.218 193 HB3 ASP 27 HB3 ASP 27 -19.896 10.932 -5.572 194 H GLY 28 H GLY 28 -17.070 11.935 -5.417 195 HA2 GLY 28 HA3 GLY 28 -15.870 13.641 -4.207 196 HA3 GLY 28 HA2 GLY 28 -17.360 14.564 -4.120 197 H ASN 29 H ASN 29 -18.240 11.467 -3.555 198 HA ASN 29 HA ASN 29 -18.479 11.938 -0.704 199 HB2 ASN 29 HB2 ASN 29 -20.215 10.800 -2.315 200 HB3 ASN 29 HB3 ASN 29 -19.239 9.370 -2.035 201 HD21 ASN 29 HD21 ASN 29 -19.291 8.342 -0.101 202 HD22 ASN 29 HD22 ASN 29 -20.392 8.748 1.172 203 H TRP 30 H TRP 30 -17.569 10.704 0.902 204 HA TRP 30 HA TRP 30 -15.008 9.564 0.291 205 HB2 TRP 30 HB2 TRP 30 -16.543 9.751 2.889 206 HB3 TRP 30 HB3 TRP 30 -14.902 9.124 2.754 207 HD1 TRP 30 HD1 TRP 30 -14.436 11.640 0.436 208 HE1 TRP 30 HE1 TRP 30 -13.724 13.900 1.442 209 HE3 TRP 30 HE3 TRP 30 -15.875 10.852 5.279 210 HZ2 TRP 30 HZ2 TRP 30 -13.757 15.163 3.955 211 HZ3 TRP 30 HZ3 TRP 30 -15.502 12.647 6.923 212 HH2 TRP 30 HH2 TRP 30 -14.468 14.763 6.275 213 H VAL 31 H VAL 31 -14.551 7.537 -0.143 214 HA VAL 31 HA VAL 31 -16.541 5.459 0.502 215 HB VAL 31 HB VAL 31 -14.605 5.289 -1.796 216 HG11 VAL 31 HG11 VAL 31 -16.204 3.661 -2.660 217 HG12 VAL 31 HG12 VAL 31 -15.629 3.214 -1.053 218 HG13 VAL 31 HG13 VAL 31 -17.234 3.920 -1.251 219 HG21 VAL 31 HG21 VAL 31 -17.386 6.451 -1.875 220 HG22 VAL 31 HG22 VAL 31 -15.870 7.296 -2.207 221 HG23 VAL 31 HG23 VAL 31 -16.425 6.019 -3.290 222 H THR 32 H THR 32 -15.798 3.798 1.697 223 HA THR 32 HA THR 32 -13.031 3.768 2.491 224 HB THR 32 HB THR 32 -15.127 1.693 3.128 225 HG1 THR 32 HG1 THR 32 -14.531 3.930 4.777 226 HG21 THR 32 HG21 THR 32 -13.770 1.377 5.162 227 HG22 THR 32 HG22 THR 32 -12.632 2.594 4.581 228 HG23 THR 32 HG23 THR 32 -12.830 1.081 3.698 229 H SER 33 H SER 33 -11.622 3.022 1.053 230 HA SER 33 HA SER 33 -12.363 0.702 -0.593 231 HB2 SER 33 HB2 SER 33 -10.110 2.626 -1.169 232 HB3 SER 33 HB3 SER 33 -10.909 1.513 -2.281 233 HG SER 33 HG SER 33 -12.577 2.854 -2.468 234 H GLU 34 H GLU 34 -11.164 -1.097 -0.498 235 HA GLU 34 HA GLU 34 -8.721 -1.031 1.129 236 HB2 GLU 34 HB2 GLU 34 -10.585 -3.390 1.042 237 HB3 GLU 34 HB3 GLU 34 -9.303 -3.052 2.195 238 HG2 GLU 34 HG2 GLU 34 -10.648 -1.109 2.989 239 HG3 GLU 34 HG3 GLU 34 -11.958 -1.676 1.962 240 H LEU 35 H LEU 35 -6.996 -1.941 0.230 241 HA LEU 35 HA LEU 35 -7.388 -3.799 -2.023 242 HB2 LEU 35 HB2 LEU 35 -6.535 -1.324 -2.523 243 HB3 LEU 35 HB3 LEU 35 -5.006 -1.990 -1.988 244 HG LEU 35 HG LEU 35 -6.646 -2.813 -4.382 245 HD11 LEU 35 HD11 LEU 35 -3.813 -1.832 -4.104 246 HD12 LEU 35 HD12 LEU 35 -4.644 -2.224 -5.611 247 HD13 LEU 35 HD13 LEU 35 -5.192 -0.864 -4.628 248 HD21 LEU 35 HD21 LEU 35 -5.830 -4.853 -3.307 249 HD22 LEU 35 HD22 LEU 35 -4.983 -4.548 -4.822 250 HD23 LEU 35 HD23 LEU 35 -4.195 -4.195 -3.285 251 H ASP 36 H ASP 36 -6.623 -5.679 -1.456 252 HA ASP 36 HA ASP 36 -4.991 -6.061 0.814 253 HB2 ASP 36 HB2 ASP 36 -5.834 -7.863 -1.451 254 HB3 ASP 36 HB3 ASP 36 -4.862 -8.414 -0.104 255 H LEU 37 H LEU 37 -2.959 -5.415 0.861 256 HA LEU 37 HA LEU 37 -1.328 -4.885 -1.347 257 HB2 LEU 37 HB2 LEU 37 -0.562 -5.613 1.472 258 HB3 LEU 37 HB3 LEU 37 0.528 -4.928 0.277 259 HG LEU 37 HG LEU 37 -1.804 -3.637 1.609 260 HD11 LEU 37 HD11 LEU 37 -0.123 -2.072 2.324 261 HD12 LEU 37 HD12 LEU 37 0.305 -3.725 2.770 262 HD13 LEU 37 HD13 LEU 37 1.091 -2.955 1.396 263 HD21 LEU 37 HD21 LEU 37 -1.418 -1.687 0.185 264 HD22 LEU 37 HD22 LEU 37 -0.228 -2.604 -0.740 265 HD23 LEU 37 HD23 LEU 37 -1.926 -3.088 -0.759 266 H ASP 38 H ASP 38 -1.508 -7.612 0.837 267 HA ASP 38 HA ASP 38 0.553 -9.138 -0.334 268 HB2 ASP 38 HB2 ASP 38 -0.572 -9.489 1.923 269 HB3 ASP 38 HB3 ASP 38 -1.829 -10.323 1.030 270 H THR 39 H THR 39 -2.320 -8.197 -1.700 271 HA THR 39 HA THR 39 -2.539 -10.722 -3.199 272 HB THR 39 HB THR 39 -4.578 -9.319 -2.147 273 HG1 THR 39 HG1 THR 39 -4.300 -11.134 -4.237 274 HG21 THR 39 HG21 THR 39 -4.414 -8.404 -5.019 275 HG22 THR 39 HG22 THR 39 -4.249 -7.373 -3.595 276 HG23 THR 39 HG23 THR 39 -5.787 -8.168 -3.937 277 H ILE 40 H ILE 40 -1.141 -7.684 -3.404 278 HA ILE 40 HA ILE 40 -0.584 -8.088 -6.241 279 HB ILE 40 HB ILE 40 -0.965 -5.620 -6.676 280 HG12 ILE 40 HG13 ILE 40 -2.965 -4.828 -5.120 281 HG13 ILE 40 3HG1 ILE 40 -2.170 -5.876 -3.958 282 HG21 ILE 40 HG21 ILE 40 -3.329 -7.399 -6.111 283 HG22 ILE 40 HG22 ILE 40 -3.385 -5.926 -7.077 284 HG23 ILE 40 HG23 ILE 40 -2.411 -7.298 -7.612 285 HD11 ILE 40 HD11 ILE 40 -1.449 -3.602 -3.671 286 HD12 ILE 40 HD12 ILE 40 -0.104 -4.588 -4.247 287 HD13 ILE 40 HD13 ILE 40 -0.953 -3.514 -5.360 288 H ILE 41 H ILE 41 0.735 -7.883 -3.419 289 HA ILE 41 HA ILE 41 3.023 -6.270 -4.345 290 HB ILE 41 HB ILE 41 1.959 -6.459 -1.521 291 HG12 ILE 41 HG13 ILE 41 1.866 -4.396 -3.668 292 HG13 ILE 41 3HG1 ILE 41 0.672 -4.802 -2.443 293 HG21 ILE 41 HG21 ILE 41 3.775 -4.965 -0.883 294 HG22 ILE 41 HG22 ILE 41 4.380 -6.509 -1.488 295 HG23 ILE 41 HG23 ILE 41 4.443 -5.074 -2.515 296 HD11 ILE 41 HD11 ILE 41 2.004 -3.662 -0.756 297 HD12 ILE 41 HD12 ILE 41 3.201 -3.254 -1.986 298 HD13 ILE 41 HD13 ILE 41 1.571 -2.584 -2.086 299 H GLY 42 H GLY 42 4.944 -7.306 -4.308 300 HA2 GLY 42 HA3 GLY 42 5.054 -9.834 -2.784 301 HA3 GLY 42 HA2 GLY 42 5.627 -9.744 -4.443 302 H ASN 43 H ASN 43 7.176 -10.584 -2.277 303 HA ASN 43 HA ASN 43 9.113 -8.386 -2.003 304 HB2 ASN 43 HB2 ASN 43 8.491 -9.029 0.187 305 HB3 ASN 43 HB3 ASN 43 8.478 -10.736 -0.231 306 HD21 ASN 43 HD21 ASN 43 9.801 -11.231 1.478 307 HD22 ASN 43 HD22 ASN 43 11.506 -10.890 1.460 308 H ASN 44 H ASN 44 10.645 -8.569 -3.473 309 HA ASN 44 HA ASN 44 11.509 -11.258 -4.290 310 HB2 ASN 44 HB2 ASN 44 10.678 -9.679 -6.052 311 HB3 ASN 44 HB3 ASN 44 12.036 -8.623 -5.679 312 HD21 ASN 44 HD21 ASN 44 11.036 -11.600 -7.124 313 HD22 ASN 44 HD22 ASN 44 12.527 -11.950 -7.935 314 H ASP 45 H ASP 45 12.845 -11.606 -2.483 315 HA ASP 45 HA ASP 45 14.755 -11.586 -1.258 316 HB2 ASP 45 HB2 ASP 45 15.798 -10.752 -3.957 317 HB3 ASP 45 HB3 ASP 45 16.864 -11.060 -2.591 318 H GLY 46 H GLY 46 13.346 -9.415 -0.551 319 HA2 GLY 46 HA3 GLY 46 13.803 -7.536 0.737 320 HA3 GLY 46 HA2 GLY 46 15.472 -7.598 0.190 321 H HIS 47 H HIS 47 12.551 -7.468 -1.774 322 HA HIS 47 HA HIS 47 12.883 -4.667 -2.360 323 HB2 HIS 47 HB2 HIS 47 14.578 -5.743 -3.851 324 HB3 HIS 47 HB3 HIS 47 13.285 -6.681 -4.590 325 HD1 HIS 47 HD1 HIS 47 12.004 -5.598 -6.463 326 HD2 HIS 47 HD2 HIS 47 14.383 -2.898 -4.371 327 HE1 HIS 47 HE1 HIS 47 11.917 -3.457 -7.774 328 HE2 HIS 47 HE2 HIS 47 13.484 -1.887 -6.581 329 H PHE 48 H PHE 48 10.859 -3.944 -2.393 330 HA PHE 48 HA PHE 48 8.609 -5.626 -2.622 331 HB2 PHE 48 HB2 PHE 48 8.928 -2.639 -2.750 332 HB3 PHE 48 HB3 PHE 48 7.361 -3.414 -2.959 333 HD1 PHE 48 HD2 PHE 48 6.626 -5.032 -1.087 334 HD2 PHE 48 HD1 PHE 48 9.670 -2.095 -0.630 335 HE1 PHE 48 HE2 PHE 48 6.335 -5.118 1.354 336 HE2 PHE 48 HE1 PHE 48 9.387 -2.179 1.811 337 HZ PHE 48 HZ PHE 48 7.722 -3.690 2.808 338 H GLN 49 H GLN 49 7.338 -6.168 -4.266 339 HA GLN 49 HA GLN 49 7.970 -5.081 -6.915 340 HB2 GLN 49 HB2 GLN 49 8.994 -7.166 -7.046 341 HB3 GLN 49 HB3 GLN 49 7.803 -7.932 -6.006 342 HG2 GLN 49 HG2 GLN 49 6.217 -8.050 -7.736 343 HG3 GLN 49 HG3 GLN 49 7.126 -6.942 -8.756 344 HE21 GLN 49 HE21 GLN 49 6.893 -10.181 -7.531 345 HE22 GLN 49 HE22 GLN 49 8.004 -10.911 -8.638 346 H TRP 50 H TRP 50 6.245 -4.064 -7.641 347 HA TRP 50 HA TRP 50 3.639 -4.498 -6.592 348 HB2 TRP 50 HB2 TRP 50 4.689 -2.920 -8.943 349 HB3 TRP 50 HB3 TRP 50 2.965 -3.034 -8.609 350 HD1 TRP 50 HD1 TRP 50 5.957 -1.022 -7.731 351 HE1 TRP 50 HE1 TRP 50 5.400 0.610 -5.806 352 HE3 TRP 50 HE3 TRP 50 1.479 -2.994 -6.270 353 HZ2 TRP 50 HZ2 TRP 50 3.343 0.994 -3.930 354 HZ3 TRP 50 HZ3 TRP 50 0.283 -1.937 -4.401 355 HH2 TRP 50 HH2 TRP 50 1.193 0.016 -3.256 356 H GLY 51 H GLY 51 2.448 -6.186 -6.993 357 HA2 GLY 51 HA3 GLY 51 1.074 -7.423 -8.533 358 HA3 GLY 51 HA2 GLY 51 2.361 -7.294 -9.724 359 H GLY 52 H GLY 52 3.207 -8.071 -6.451 360 HA2 GLY 52 HA3 GLY 52 4.115 -10.686 -7.380 361 HA3 GLY 52 HA2 GLY 52 4.592 -9.893 -5.891 362 H GLN 53 H GLN 53 2.362 -9.457 -4.532 363 HA GLN 53 HA GLN 53 0.718 -10.335 -3.240 364 HB2 GLN 53 HB2 GLN 53 -0.581 -11.005 -5.075 365 HB3 GLN 53 HB3 GLN 53 0.556 -12.257 -5.547 366 HG2 GLN 53 HG2 GLN 53 -0.104 -13.631 -3.700 367 HG3 GLN 53 HG3 GLN 53 -1.104 -12.338 -3.040 368 HE21 GLN 53 HE21 GLN 53 -0.797 -14.754 -5.504 369 HE22 GLN 53 HE22 GLN 53 -2.444 -14.714 -6.043 370 H ASN 54 H ASN 54 0.709 -11.555 -1.398 371 HA ASN 54 HA ASN 54 1.371 -13.043 0.170 372 HB2 ASN 54 HB2 ASN 54 2.761 -14.496 -2.093 373 HB3 ASN 54 HB3 ASN 54 2.591 -15.110 -0.452 374 HD21 ASN 54 HD21 ASN 54 -0.100 -14.045 -0.119 375 HD22 ASN 54 HD22 ASN 54 -1.133 -15.057 -1.073 376 H PHE 55 H PHE 55 2.687 -10.684 -0.174 377 HA PHE 55 HA PHE 55 5.555 -11.206 -0.067 378 HB2 PHE 55 HB2 PHE 55 5.894 -8.907 -0.250 379 HB3 PHE 55 HB3 PHE 55 4.392 -9.111 -1.139 380 HD1 PHE 55 HD1 PHE 55 2.227 -8.515 -0.035 381 HD2 PHE 55 HD2 PHE 55 6.010 -7.542 1.656 382 HE1 PHE 55 HE1 PHE 55 1.159 -6.803 1.372 383 HE2 PHE 55 HE2 PHE 55 4.947 -5.831 3.068 384 HZ PHE 55 HZ PHE 55 2.518 -5.460 2.924 385 H THR 56 H THR 56 2.847 -10.714 1.997 386 HA THR 56 HA THR 56 4.258 -9.938 4.334 387 HB THR 56 HB THR 56 2.196 -10.546 5.555 388 HG1 THR 56 HG1 THR 56 1.377 -11.512 2.986 389 HG21 THR 56 HG21 THR 56 2.319 -8.365 4.548 390 HG22 THR 56 HG22 THR 56 0.689 -8.990 4.321 391 HG23 THR 56 HG23 THR 56 1.832 -9.013 2.983 392 H GLU 57 H GLU 57 3.937 -12.971 2.735 393 HA GLU 57 HA GLU 57 4.350 -14.566 5.088 394 HB2 GLU 57 HB2 GLU 57 4.403 -16.444 3.657 395 HB3 GLU 57 HB3 GLU 57 3.230 -15.344 2.942 396 HG2 GLU 57 HG2 GLU 57 4.827 -14.653 1.291 397 HG3 GLU 57 HG3 GLU 57 6.078 -15.629 2.056 398 H THR 58 H THR 58 6.287 -12.614 3.161 399 HA THR 58 HA THR 58 8.712 -13.880 4.235 400 HB THR 58 HB THR 58 9.924 -13.175 2.199 401 HG1 THR 58 HG1 THR 58 7.753 -12.861 0.598 402 HG21 THR 58 HG21 THR 58 9.093 -14.886 0.735 403 HG22 THR 58 HG22 THR 58 7.511 -14.837 1.512 404 HG23 THR 58 HG23 THR 58 8.910 -15.445 2.400 405 H ALA 59 H ALA 59 6.802 -11.543 4.837 406 HA ALA 59 HA ALA 59 8.914 -9.544 5.213 407 HB1 ALA 59 HB1 ALA 59 6.026 -8.940 4.603 408 HB2 ALA 59 HB2 ALA 59 7.317 -7.766 4.857 409 HB3 ALA 59 HB3 ALA 59 7.353 -8.826 3.449 410 H GLU 60 H GLU 60 8.806 -8.321 7.064 411 HA GLU 60 HA GLU 60 6.865 -9.061 9.125 412 HB2 GLU 60 HB2 GLU 60 9.352 -8.819 10.437 413 HB3 GLU 60 HB3 GLU 60 8.360 -10.260 10.286 414 HG2 GLU 60 HG2 GLU 60 9.498 -10.817 8.187 415 HG3 GLU 60 HG3 GLU 60 10.505 -9.380 8.355 416 H ASP 61 H ASP 61 7.244 -7.537 11.088 417 HA ASP 61 HA ASP 61 7.057 -5.365 11.824 418 HB2 ASP 61 HB2 ASP 61 9.633 -5.832 11.475 419 HB3 ASP 61 HB3 ASP 61 9.455 -4.697 10.150 420 H ILE 62 H ILE 62 5.248 -5.613 9.916 421 HA ILE 62 HA ILE 62 5.741 -3.717 7.773 422 HB ILE 62 HB ILE 62 3.104 -5.088 8.249 423 HG12 ILE 62 HG13 ILE 62 5.680 -6.224 7.163 424 HG13 ILE 62 3HG1 ILE 62 4.605 -6.915 8.370 425 HG21 ILE 62 HG21 ILE 62 4.575 -4.175 5.772 426 HG22 ILE 62 HG22 ILE 62 2.991 -4.951 5.798 427 HG23 ILE 62 HG23 ILE 62 3.207 -3.363 6.530 428 HD11 ILE 62 HD11 ILE 62 4.049 -6.667 5.425 429 HD12 ILE 62 HD12 ILE 62 4.460 -8.142 6.300 430 HD13 ILE 62 HD13 ILE 62 2.931 -7.320 6.624 431 H ARG 63 H ARG 63 5.576 -1.657 8.231 432 HA ARG 63 HA ARG 63 3.186 -0.728 9.680 433 HB2 ARG 63 HB2 ARG 63 4.783 1.294 10.255 434 HB3 ARG 63 HB3 ARG 63 4.764 -0.154 11.250 435 HG2 ARG 63 HG2 ARG 63 6.655 -0.466 9.126 436 HG3 ARG 63 HG3 ARG 63 6.958 1.040 9.996 437 HD2 ARG 63 HD2 ARG 63 8.128 -1.000 10.895 438 HD3 ARG 63 HD3 ARG 63 7.171 -0.088 12.067 439 HE ARG 63 HE ARG 63 6.101 -2.495 10.748 440 HH11 ARG 63 HH12 ARG 63 6.876 -0.703 13.640 441 HH12 ARG 63 HH11 ARG 63 6.167 -1.868 14.713 442 HH21 ARG 63 HH22 ARG 63 5.136 -4.033 12.150 443 HH22 ARG 63 HH21 ARG 63 5.186 -3.774 13.864 444 H PHE 64 H PHE 64 1.946 0.552 8.515 445 HA PHE 64 HA PHE 64 2.916 1.492 5.941 446 HB2 PHE 64 HB2 PHE 64 0.842 0.327 5.845 447 HB3 PHE 64 HB3 PHE 64 0.182 1.264 7.179 448 HD1 PHE 64 HD1 PHE 64 1.887 2.256 4.006 449 HD2 PHE 64 HD2 PHE 64 -1.587 2.477 6.447 450 HE1 PHE 64 HE1 PHE 64 0.877 3.848 2.424 451 HE2 PHE 64 HE2 PHE 64 -2.593 4.062 4.872 452 HZ PHE 64 HZ PHE 64 -1.371 4.744 2.854 453 H HIS 65 H HIS 65 3.278 3.527 5.406 454 HA HIS 65 HA HIS 65 2.503 5.631 7.331 455 HB2 HIS 65 HB2 HIS 65 5.094 4.915 6.662 456 HB3 HIS 65 HB3 HIS 65 4.777 6.287 5.604 457 HD1 HIS 65 HD1 HIS 65 5.722 5.435 9.017 458 HD2 HIS 65 HD2 HIS 65 3.955 8.681 7.095 459 HE1 HIS 65 HE1 HIS 65 5.906 7.364 10.622 460 HE2 HIS 65 HE2 HIS 65 4.763 9.296 9.479 461 HA PRO 66 HA PRO 66 0.173 6.390 3.428 462 HB2 PRO 66 HB2 PRO 66 -1.640 8.014 4.726 463 HB3 PRO 66 HB3 PRO 66 -1.801 6.277 4.523 464 HG2 PRO 66 HG2 PRO 66 -0.847 7.815 6.883 465 HG3 PRO 66 HG3 PRO 66 -1.873 6.368 6.822 466 HD2 PRO 66 HD2 PRO 66 0.737 6.237 7.464 467 HD3 PRO 66 HD3 PRO 66 -0.060 4.944 6.542 468 H LYS 67 H LYS 67 1.060 8.649 5.871 469 HA LYS 67 HA LYS 67 1.561 10.655 3.784 470 HB2 LYS 67 HB2 LYS 67 0.591 11.172 6.608 471 HB3 LYS 67 HB3 LYS 67 1.001 12.416 5.434 472 HG2 LYS 67 HG2 LYS 67 -1.189 12.386 4.968 473 HG3 LYS 67 HG3 LYS 67 -0.792 10.945 4.032 474 HD2 LYS 67 HD2 LYS 67 -2.662 10.392 5.376 475 HD3 LYS 67 HD3 LYS 67 -1.264 9.595 6.099 476 HE2 LYS 67 HE2 LYS 67 -2.600 10.572 7.845 477 HE3 LYS 67 HE3 LYS 67 -1.089 11.472 7.709 478 HZ1 LYS 67 HZ1 LYS 67 -3.008 12.935 7.958 479 HZ2 LYS 67 HZ2 LYS 67 -3.693 12.306 6.540 480 HZ3 LYS 67 HZ3 LYS 67 -2.246 13.182 6.462 481 H GLU 68 H GLU 68 3.691 9.870 3.638 482 HA GLU 68 HA GLU 68 5.477 9.790 5.819 483 HB2 GLU 68 HB2 GLU 68 6.050 8.538 3.882 484 HB3 GLU 68 HB3 GLU 68 5.915 9.948 2.845 485 HG2 GLU 68 HG2 GLU 68 7.931 10.843 3.580 486 HG3 GLU 68 HG3 GLU 68 7.960 9.830 5.026 487 H GLY 69 H GLY 69 6.081 11.404 7.002 488 HA2 GLY 69 HA3 GLY 69 6.689 13.486 7.715 489 HA3 GLY 69 HA2 GLY 69 7.592 13.556 6.214 490 H ALA 70 H ALA 70 7.308 15.668 5.804 491 HA ALA 70 HA ALA 70 4.680 16.879 5.809 492 HB1 ALA 70 HB1 ALA 70 6.676 18.165 6.461 493 HB2 ALA 70 HB2 ALA 70 7.313 17.977 4.827 494 HB3 ALA 70 HB3 ALA 70 5.833 18.900 5.096 495 H ALA 71 H ALA 71 6.470 14.994 3.715 496 HA ALA 71 HA ALA 71 5.660 16.120 1.221 497 HB1 ALA 71 HB1 ALA 71 6.668 13.347 1.872 498 HB2 ALA 71 HB2 ALA 71 6.511 14.035 0.253 499 HB3 ALA 71 HB3 ALA 71 7.656 14.730 1.398 500 H GLU 72 H GLU 72 4.308 13.965 3.538 501 HA GLU 72 HA GLU 72 2.349 12.844 3.729 502 HB2 GLU 72 HB2 GLU 72 1.412 14.807 1.626 503 HB3 GLU 72 HB3 GLU 72 0.373 13.834 2.659 504 HG2 GLU 72 HG2 GLU 72 1.158 15.002 4.619 505 HG3 GLU 72 HG3 GLU 72 2.312 15.915 3.645 506 H GLN 73 H GLN 73 4.198 11.619 2.151 507 HA GLN 73 HA GLN 73 2.707 10.638 -0.174 508 HB2 GLN 73 HB2 GLN 73 5.641 10.433 0.510 509 HB3 GLN 73 HB3 GLN 73 4.896 9.693 -0.901 510 HG2 GLN 73 HG2 GLN 73 4.254 11.880 -1.734 511 HG3 GLN 73 HG3 GLN 73 4.948 12.642 -0.303 512 HE21 GLN 73 HE21 GLN 73 6.432 9.915 -1.858 513 HE22 GLN 73 HE22 GLN 73 7.786 10.760 -2.513 514 HA PRO 74 HA PRO 74 1.905 6.968 2.177 515 HB2 PRO 74 HB2 PRO 74 0.644 5.601 0.217 516 HB3 PRO 74 HB3 PRO 74 -0.122 6.933 1.091 517 HG2 PRO 74 HG2 PRO 74 1.205 6.951 -1.598 518 HG3 PRO 74 HG3 PRO 74 -0.323 7.700 -1.103 519 HD2 PRO 74 HD2 PRO 74 1.981 9.109 -1.304 520 HD3 PRO 74 HD3 PRO 74 0.733 9.499 -0.103 521 H ILE 75 H ILE 75 3.669 5.819 2.604 522 HA ILE 75 HA ILE 75 4.645 4.044 0.498 523 HB ILE 75 HB ILE 75 6.919 4.436 0.843 524 HG12 ILE 75 HG13 ILE 75 7.401 6.330 2.756 525 HG13 ILE 75 3HG1 ILE 75 6.086 5.409 3.487 526 HG21 ILE 75 HG21 ILE 75 5.999 6.219 -0.450 527 HG22 ILE 75 HG22 ILE 75 5.548 7.108 1.007 528 HG23 ILE 75 HG23 ILE 75 7.251 6.882 0.600 529 HD11 ILE 75 HD11 ILE 75 8.681 4.272 2.467 530 HD12 ILE 75 HD12 ILE 75 8.253 4.540 4.156 531 HD13 ILE 75 HD13 ILE 75 7.368 3.351 3.198 532 H LEU 76 H LEU 76 5.225 2.040 1.196 533 HA LEU 76 HA LEU 76 4.629 1.476 4.023 534 HB2 LEU 76 HB2 LEU 76 2.994 0.549 2.468 535 HB3 LEU 76 HB3 LEU 76 4.264 -0.238 1.562 536 HG LEU 76 HG LEU 76 2.760 -1.588 3.206 537 HD11 LEU 76 HD11 LEU 76 5.755 -1.938 3.161 538 HD12 LEU 76 HD12 LEU 76 4.576 -3.176 3.588 539 HD13 LEU 76 HD13 LEU 76 4.622 -2.532 1.948 540 HD21 LEU 76 HD21 LEU 76 3.653 -1.809 5.435 541 HD22 LEU 76 HD22 LEU 76 4.869 -0.580 5.095 542 HD23 LEU 76 HD23 LEU 76 3.161 -0.142 5.138 543 H ARG 77 H ARG 77 6.205 0.622 5.230 544 HA ARG 77 HA ARG 77 8.488 -0.602 3.836 545 HB2 ARG 77 HB2 ARG 77 10.054 0.373 5.303 546 HB3 ARG 77 HB3 ARG 77 8.995 1.685 4.816 547 HG2 ARG 77 HG2 ARG 77 8.594 0.186 7.386 548 HG3 ARG 77 HG3 ARG 77 9.685 1.563 7.257 549 HD2 ARG 77 HD2 ARG 77 6.745 1.574 6.623 550 HD3 ARG 77 HD3 ARG 77 7.487 2.236 8.081 551 HE ARG 77 HE ARG 77 7.479 3.402 5.432 552 HH11 ARG 77 HH12 ARG 77 8.904 3.433 8.634 553 HH12 ARG 77 HH11 ARG 77 9.546 5.047 8.464 554 HH21 ARG 77 HH22 ARG 77 8.331 5.523 5.221 555 HH22 ARG 77 HH21 ARG 77 9.224 6.218 6.537 556 H ALA 78 H ALA 78 9.404 -2.356 4.765 557 HA ALA 78 HA ALA 78 8.630 -3.394 7.322 558 HB1 ALA 78 HB1 ALA 78 7.525 -5.418 6.518 559 HB2 ALA 78 HB2 ALA 78 6.630 -3.986 6.018 560 HB3 ALA 78 HB3 ALA 78 7.645 -4.841 4.856 561 H ARG 79 H ARG 79 9.597 -5.691 7.566 562 HA ARG 79 HA ARG 79 12.276 -5.639 6.440 563 HB2 ARG 79 HB2 ARG 79 11.282 -7.845 8.215 564 HB3 ARG 79 HB3 ARG 79 12.902 -7.189 8.075 565 HG2 ARG 79 HG2 ARG 79 10.546 -6.001 9.521 566 HG3 ARG 79 HG3 ARG 79 12.080 -6.551 10.196 567 HD2 ARG 79 HD2 ARG 79 13.241 -4.758 8.981 568 HD3 ARG 79 HD3 ARG 79 11.687 -4.220 8.346 569 HE ARG 79 HE ARG 79 11.065 -3.785 10.725 570 HH11 ARG 79 HH12 ARG 79 14.431 -3.787 9.745 571 HH12 ARG 79 HH11 ARG 79 14.914 -2.643 10.954 572 HH21 ARG 79 HH22 ARG 79 11.689 -2.306 12.309 573 HH22 ARG 79 HH21 ARG 79 13.354 -1.810 12.437 574 H LEU 80 H LEU 80 12.653 -6.591 4.564 575 HA LEU 80 HA LEU 80 10.838 -8.690 3.649 576 HB2 LEU 80 HB2 LEU 80 12.570 -6.672 2.341 577 HB3 LEU 80 HB3 LEU 80 12.357 -8.196 1.502 578 HG LEU 80 HG LEU 80 10.070 -7.851 1.198 579 HD11 LEU 80 HD11 LEU 80 9.463 -7.251 3.439 580 HD12 LEU 80 HD12 LEU 80 10.190 -5.656 3.232 581 HD13 LEU 80 HD13 LEU 80 8.769 -6.108 2.290 582 HD21 LEU 80 HD21 LEU 80 11.337 -6.458 -0.274 583 HD22 LEU 80 HD22 LEU 80 9.871 -5.605 0.215 584 HD23 LEU 80 HD23 LEU 80 11.421 -5.186 0.947 585 H ARG 81 H ARG 81 11.396 -10.711 3.562 586 HA ARG 81 HA ARG 81 14.097 -11.517 4.253 587 HB2 ARG 81 HB2 ARG 81 12.337 -12.641 5.408 588 HB3 ARG 81 HB3 ARG 81 11.503 -13.020 3.910 589 HG2 ARG 81 HG2 ARG 81 14.229 -14.101 4.153 590 HG3 ARG 81 HG3 ARG 81 13.045 -14.763 5.273 591 HD2 ARG 81 HD2 ARG 81 11.548 -15.117 3.252 592 HD3 ARG 81 HD3 ARG 81 12.969 -14.739 2.272 593 HE ARG 81 HE ARG 81 14.044 -16.687 3.182 594 HH11 ARG 81 HH12 ARG 81 10.607 -16.447 3.761 595 HH12 ARG 81 HH11 ARG 81 10.388 -18.153 3.978 596 HH21 ARG 81 HH22 ARG 81 13.768 -18.940 3.435 597 HH22 ARG 81 HH21 ARG 81 12.184 -19.569 3.789 598 H ASP 82 H ASP 82 15.480 -12.689 2.974 599 HA ASP 82 HA ASP 82 14.887 -12.584 0.104 600 HB2 ASP 82 HB2 ASP 82 17.156 -12.440 -0.298 601 HB3 ASP 82 HB3 ASP 82 17.049 -11.645 1.269 602 H CYS 83 H CYS 83 16.042 -14.477 -1.172 603 HA CYS 83 HA CYS 83 14.667 -16.826 -0.508 604 HB2 CYS 83 HB2 CYS 83 17.055 -16.466 -2.320 605 HB3 CYS 83 HB3 CYS 83 16.042 -17.904 -2.266 606 HG CYS 83 HG CYS 83 15.302 -14.823 -3.502 607 H ASN 84 H ASN 84 17.759 -15.705 0.608 608 HA ASN 84 HA ASN 84 18.738 -18.317 1.339 609 HB2 ASN 84 HB2 ASN 84 20.283 -16.461 0.854 610 HB3 ASN 84 HB3 ASN 84 19.652 -15.578 2.237 611 HD21 ASN 84 HD21 ASN 84 21.612 -15.467 3.252 612 HD22 ASN 84 HD22 ASN 84 22.381 -16.840 3.963 613 H GLY 85 H GLY 85 16.827 -15.816 2.829 614 HA2 GLY 85 HA3 GLY 85 15.283 -16.519 4.567 615 HA3 GLY 85 HA2 GLY 85 16.548 -17.567 5.192 616 H GLU 86 H GLU 86 16.901 -14.182 4.192 617 HA GLU 86 HA GLU 86 17.542 -13.575 7.008 618 HB2 GLU 86 HB2 GLU 86 19.113 -11.933 6.291 619 HB3 GLU 86 HB3 GLU 86 19.449 -13.386 5.364 620 HG2 GLU 86 HG2 GLU 86 18.283 -12.446 3.446 621 HG3 GLU 86 HG3 GLU 86 17.901 -10.999 4.379 622 H PHE 87 H PHE 87 17.496 -10.820 6.877 623 HA PHE 87 HA PHE 87 14.963 -10.044 5.705 624 HB2 PHE 87 HB2 PHE 87 14.080 -9.153 7.863 625 HB3 PHE 87 HB3 PHE 87 14.164 -10.909 7.810 626 HD1 PHE 87 HD2 PHE 87 15.844 -12.107 9.134 627 HD2 PHE 87 HD1 PHE 87 15.396 -7.885 9.398 628 HE1 PHE 87 HE2 PHE 87 17.126 -12.105 11.232 629 HE2 PHE 87 HE1 PHE 87 16.677 -7.877 11.495 630 HZ PHE 87 HZ PHE 87 17.544 -9.989 12.414 631 H HIS 88 H HIS 88 14.862 -8.091 5.103 632 HA HIS 88 HA HIS 88 16.762 -6.107 6.103 633 HB2 HIS 88 HB2 HIS 88 16.644 -7.247 3.362 634 HB3 HIS 88 HB3 HIS 88 16.874 -5.520 3.497 635 HD1 HIS 88 HD1 HIS 88 19.200 -4.693 4.127 636 HD2 HIS 88 HD2 HIS 88 18.748 -8.813 4.524 637 HE1 HIS 88 HE1 HIS 88 21.506 -5.595 4.570 638 HE2 HIS 88 HE2 HIS 88 21.193 -8.068 4.923 639 H ASP 89 H ASP 89 15.652 -4.329 6.594 640 HA ASP 89 HA ASP 89 12.906 -4.062 5.936 641 HB2 ASP 89 HB2 ASP 89 12.984 -1.946 7.126 642 HB3 ASP 89 HB3 ASP 89 13.867 -3.170 8.026 643 H ARG 90 H ARG 90 12.084 -3.479 4.065 644 HA ARG 90 HA ARG 90 13.558 -1.485 2.465 645 HB2 ARG 90 HB2 ARG 90 11.707 -3.677 1.510 646 HB3 ARG 90 HB3 ARG 90 12.466 -2.468 0.481 647 HG2 ARG 90 HG2 ARG 90 13.863 -4.580 2.100 648 HG3 ARG 90 HG3 ARG 90 13.684 -4.538 0.347 649 HD2 ARG 90 HD2 ARG 90 15.007 -2.488 0.256 650 HD3 ARG 90 HD3 ARG 90 15.171 -2.510 2.011 651 HE ARG 90 HE ARG 90 16.122 -4.869 0.624 652 HH11 ARG 90 HH12 ARG 90 16.922 -1.763 2.036 653 HH12 ARG 90 HH11 ARG 90 18.615 -2.121 2.173 654 HH21 ARG 90 HH22 ARG 90 18.338 -5.345 0.792 655 HH22 ARG 90 HH21 ARG 90 19.424 -4.154 1.451 656 H ASP 91 H ASP 91 11.848 -0.465 0.805 657 HA ASP 91 HA ASP 91 9.344 0.119 2.153 658 HB2 ASP 91 HB2 ASP 91 9.661 2.548 1.999 659 HB3 ASP 91 HB3 ASP 91 10.866 1.822 3.051 660 H VAL 92 H VAL 92 7.768 0.880 0.767 661 HA VAL 92 HA VAL 92 8.524 1.062 -2.058 662 HB VAL 92 HB VAL 92 7.707 -1.221 -1.621 663 HG11 VAL 92 HG11 VAL 92 5.338 -1.615 -1.143 664 HG12 VAL 92 HG12 VAL 92 6.145 -0.783 0.188 665 HG13 VAL 92 HG13 VAL 92 5.104 0.120 -0.915 666 HG21 VAL 92 HG21 VAL 92 7.496 -0.310 -3.808 667 HG22 VAL 92 HG22 VAL 92 6.064 -1.277 -3.446 668 HG23 VAL 92 HG23 VAL 92 5.980 0.486 -3.377 669 H ASN 93 H ASN 93 7.322 2.370 -3.288 670 HA ASN 93 HA ASN 93 5.855 4.425 -1.880 671 HB2 ASN 93 HB2 ASN 93 6.905 4.081 -4.668 672 HB3 ASN 93 HB3 ASN 93 5.740 5.345 -4.313 673 HD21 ASN 93 HD21 ASN 93 8.962 4.189 -3.794 674 HD22 ASN 93 HD22 ASN 93 9.588 5.642 -3.091 675 H LEU 94 H LEU 94 3.791 4.117 -1.436 676 HA LEU 94 HA LEU 94 2.163 2.333 -3.009 677 HB2 LEU 94 HB2 LEU 94 1.440 4.086 -0.664 678 HB3 LEU 94 HB3 LEU 94 0.381 2.895 -1.392 679 HG LEU 94 HG LEU 94 2.755 2.502 0.374 680 HD11 LEU 94 HD11 LEU 94 0.060 1.176 0.198 681 HD12 LEU 94 HD12 LEU 94 1.273 0.913 1.450 682 HD13 LEU 94 HD13 LEU 94 0.495 2.487 1.293 683 HD21 LEU 94 HD21 LEU 94 3.303 1.187 -1.613 684 HD22 LEU 94 HD22 LEU 94 2.880 0.144 -0.254 685 HD23 LEU 94 HD23 LEU 94 1.714 0.421 -1.548 686 H ASN 95 H ASN 95 3.131 5.370 -3.561 687 HA ASN 95 HA ASN 95 0.818 6.798 -4.238 688 HB2 ASN 95 HB2 ASN 95 3.431 6.974 -5.750 689 HB3 ASN 95 HB3 ASN 95 2.210 8.230 -5.575 690 HD21 ASN 95 HD21 ASN 95 4.993 6.825 -4.327 691 HD22 ASN 95 HD22 ASN 95 5.134 7.752 -2.888 692 H ARG 96 H ARG 96 2.202 4.033 -5.624 693 HA ARG 96 HA ARG 96 1.418 4.286 -8.315 694 HB2 ARG 96 HB2 ARG 96 2.015 1.968 -6.510 695 HB3 ARG 96 HB3 ARG 96 1.345 1.674 -8.103 696 HG2 ARG 96 HG2 ARG 96 3.791 1.469 -8.029 697 HG3 ARG 96 HG3 ARG 96 3.238 2.703 -9.158 698 HD2 ARG 96 HD2 ARG 96 3.990 3.462 -6.363 699 HD3 ARG 96 HD3 ARG 96 5.244 3.190 -7.572 700 HE ARG 96 HE ARG 96 3.161 4.981 -8.421 701 HH11 ARG 96 HH12 ARG 96 6.296 4.672 -6.914 702 HH12 ARG 96 HH11 ARG 96 6.665 6.372 -7.026 703 HH21 ARG 96 HH22 ARG 96 3.631 7.219 -8.589 704 HH22 ARG 96 HH21 ARG 96 5.158 7.810 -8.002 705 H ILE 97 H ILE 97 -0.323 3.671 -5.424 706 HA ILE 97 HA ILE 97 -2.621 2.496 -6.726 707 HB ILE 97 HB ILE 97 -2.318 3.476 -3.884 708 HG12 ILE 97 HG13 ILE 97 -2.186 0.590 -4.641 709 HG13 ILE 97 3HG1 ILE 97 -0.759 1.580 -4.926 710 HG21 ILE 97 HG21 ILE 97 -4.638 3.199 -4.597 711 HG22 ILE 97 HG22 ILE 97 -4.283 1.556 -5.134 712 HG23 ILE 97 HG23 ILE 97 -4.187 1.965 -3.420 713 HD11 ILE 97 HD11 ILE 97 -2.146 1.295 -2.275 714 HD12 ILE 97 HD12 ILE 97 -0.713 0.394 -2.777 715 HD13 ILE 97 HD13 ILE 97 -0.635 2.149 -2.603 716 H GLN 98 H GLN 98 -4.200 3.610 -7.609 717 HA GLN 98 HA GLN 98 -4.625 6.393 -6.783 718 HB2 GLN 98 HB2 GLN 98 -4.960 5.146 -9.515 719 HB3 GLN 98 HB3 GLN 98 -5.445 6.781 -9.099 720 HG2 GLN 98 HG2 GLN 98 -3.104 7.298 -8.524 721 HG3 GLN 98 HG3 GLN 98 -2.649 5.677 -9.043 722 HE21 GLN 98 HE21 GLN 98 -1.290 6.442 -10.635 723 HE22 GLN 98 HE22 GLN 98 -1.873 7.173 -12.087 724 H ASN 99 H ASN 99 -6.898 7.128 -7.185 725 HA ASN 99 HA ASN 99 -8.739 4.985 -6.381 726 HB2 ASN 99 HB2 ASN 99 -8.640 6.623 -4.679 727 HB3 ASN 99 HB3 ASN 99 -8.691 7.947 -5.838 728 HD21 ASN 99 HD21 ASN 99 -10.639 8.616 -6.661 729 HD22 ASN 99 HD22 ASN 99 -12.156 8.094 -6.015 730 H VAL 100 H VAL 100 -10.144 4.320 -7.822 731 HA VAL 100 HA VAL 100 -10.973 6.174 -9.961 732 HB VAL 100 HB VAL 100 -11.035 3.151 -10.038 733 HG11 VAL 100 HG11 VAL 100 -11.485 3.448 -12.425 734 HG12 VAL 100 HG12 VAL 100 -12.739 4.193 -11.432 735 HG13 VAL 100 HG13 VAL 100 -11.510 5.197 -12.202 736 HG21 VAL 100 HG21 VAL 100 -8.737 3.955 -10.013 737 HG22 VAL 100 HG22 VAL 100 -9.158 3.321 -11.605 738 HG23 VAL 100 HG23 VAL 100 -9.097 5.064 -11.339 739 H ASN 101 H ASN 101 -12.715 7.100 -8.974 740 HA ASN 101 HA ASN 101 -14.863 7.385 -8.319 741 HB2 ASN 101 HB2 ASN 101 -15.191 5.964 -10.430 742 HB3 ASN 101 HB3 ASN 101 -15.465 4.619 -9.324 743 HD21 ASN 101 HD21 ASN 101 -17.578 4.340 -9.938 744 HD22 ASN 101 HD22 ASN 101 -18.832 5.463 -9.513 745 H GLY 102 H GLY 102 -12.898 5.902 -6.561 746 HA2 GLY 102 HA3 GLY 102 -13.447 5.667 -4.206 747 HA3 GLY 102 HA2 GLY 102 -14.956 4.914 -4.693 748 H ARG 103 H ARG 103 -12.097 3.965 -6.382 749 HA ARG 103 HA ARG 103 -11.893 1.582 -4.691 750 HB2 ARG 103 HB2 ARG 103 -11.867 0.108 -6.526 751 HB3 ARG 103 HB3 ARG 103 -13.217 1.195 -6.813 752 HG2 ARG 103 HG2 ARG 103 -11.778 2.504 -8.344 753 HG3 ARG 103 HG3 ARG 103 -10.513 1.290 -8.124 754 HD2 ARG 103 HD2 ARG 103 -11.720 0.817 -10.149 755 HD3 ARG 103 HD3 ARG 103 -12.078 -0.431 -8.957 756 HE ARG 103 HE ARG 103 -13.946 1.792 -9.133 757 HH11 ARG 103 HH12 ARG 103 -13.194 -1.543 -9.882 758 HH12 ARG 103 HH11 ARG 103 -14.818 -1.937 -10.375 759 HH21 ARG 103 HH22 ARG 103 -16.084 1.288 -9.833 760 HH22 ARG 103 HH21 ARG 103 -16.442 -0.323 -10.379 761 H LEU 104 H LEU 104 -9.858 0.836 -4.307 762 HA LEU 104 HA LEU 104 -7.675 2.573 -5.093 763 HB2 LEU 104 HB2 LEU 104 -7.773 0.147 -3.290 764 HB3 LEU 104 HB3 LEU 104 -6.335 1.110 -3.571 765 HG LEU 104 HG LEU 104 -8.874 1.999 -2.209 766 HD11 LEU 104 HD11 LEU 104 -6.056 1.671 -1.192 767 HD12 LEU 104 HD12 LEU 104 -7.438 2.248 -0.259 768 HD13 LEU 104 HD13 LEU 104 -7.409 0.589 -0.856 769 HD21 LEU 104 HD21 LEU 104 -6.391 3.586 -2.839 770 HD22 LEU 104 HD22 LEU 104 -7.982 3.814 -3.564 771 HD23 LEU 104 HD23 LEU 104 -7.742 4.133 -1.846 772 H VAL 105 H VAL 105 -6.554 2.255 -6.888 773 HA VAL 105 HA VAL 105 -6.221 -0.510 -7.878 774 HB VAL 105 HB VAL 105 -6.418 1.998 -9.564 775 HG11 VAL 105 HG11 VAL 105 -6.143 -0.900 -10.352 776 HG12 VAL 105 HG12 VAL 105 -6.459 0.429 -11.467 777 HG13 VAL 105 HG13 VAL 105 -4.941 0.369 -10.572 778 HG21 VAL 105 HG21 VAL 105 -8.383 -0.263 -9.219 779 HG22 VAL 105 HG22 VAL 105 -8.579 1.388 -8.631 780 HG23 VAL 105 HG23 VAL 105 -8.536 1.068 -10.365 781 H PHE 106 H PHE 106 -4.194 -1.177 -7.945 782 HA PHE 106 HA PHE 106 -2.019 0.684 -7.487 783 HB2 PHE 106 HB2 PHE 106 -0.689 -1.213 -6.992 784 HB3 PHE 106 HB3 PHE 106 -2.281 -1.600 -6.347 785 HD1 PHE 106 HD2 PHE 106 -3.856 -2.827 -8.168 786 HD2 PHE 106 HD1 PHE 106 0.401 -2.864 -8.129 787 HE1 PHE 106 HE2 PHE 106 -3.865 -4.894 -9.501 788 HE2 PHE 106 HE1 PHE 106 0.397 -4.928 -9.465 789 HZ PHE 106 HZ PHE 106 -1.735 -5.948 -10.152 790 H GLN 107 H GLN 107 -0.288 1.033 -8.891 791 HA GLN 107 HA GLN 107 -0.871 0.786 -11.681 792 HB2 GLN 107 HB2 GLN 107 1.403 1.932 -10.099 793 HB3 GLN 107 HB3 GLN 107 1.580 1.684 -11.830 794 HG2 GLN 107 HG2 GLN 107 -0.258 3.152 -12.288 795 HG3 GLN 107 HG3 GLN 107 -0.627 3.292 -10.571 796 HE21 GLN 107 HE21 GLN 107 0.082 5.313 -12.618 797 HE22 GLN 107 HE22 GLN 107 1.440 6.165 -11.958 Start of MODEL 23 1 H MET 1 H MET 1 -3.475 13.422 -9.535 2 HA MET 1 HA MET 1 -1.426 12.139 -9.294 3 HB2 MET 1 HB2 MET 1 -1.867 13.978 -7.763 4 HB3 MET 1 HB3 MET 1 -2.852 12.938 -6.745 5 HG2 MET 1 HG2 MET 1 -0.655 13.337 -5.778 6 HG3 MET 1 HG3 MET 1 -0.905 11.631 -6.140 7 HE1 MET 1 HE1 MET 1 2.920 12.023 -6.735 8 HE2 MET 1 HE2 MET 1 1.937 12.782 -5.482 9 HE3 MET 1 HE3 MET 1 1.652 11.100 -5.926 10 H SER 2 H SER 2 -3.181 11.107 -6.426 11 HA SER 2 HA SER 2 -3.079 8.315 -7.203 12 HB2 SER 2 HB2 SER 2 -1.620 9.283 -4.728 13 HB3 SER 2 HB3 SER 2 -1.747 7.617 -5.288 14 HG SER 2 HG SER 2 -0.215 7.966 -6.695 15 H TYR 3 H TYR 3 -3.768 7.043 -4.967 16 HA TYR 3 HA TYR 3 -6.386 7.996 -4.434 17 HB2 TYR 3 HB2 TYR 3 -6.685 6.068 -3.130 18 HB3 TYR 3 HB3 TYR 3 -5.477 5.571 -4.307 19 HD1 TYR 3 HD1 TYR 3 -3.018 5.617 -3.571 20 HD2 TYR 3 HD2 TYR 3 -6.275 5.877 -0.848 21 HE1 TYR 3 HE1 TYR 3 -1.526 4.950 -1.737 22 HE2 TYR 3 HE2 TYR 3 -4.798 5.212 0.995 23 HH TYR 3 HH TYR 3 -2.676 3.997 1.305 24 H ALA 4 H ALA 4 -3.329 8.201 -2.759 25 HA ALA 4 HA ALA 4 -4.109 9.102 -0.262 26 HB1 ALA 4 HB1 ALA 4 -1.840 8.384 -0.830 27 HB2 ALA 4 HB2 ALA 4 -1.613 9.867 -1.759 28 HB3 ALA 4 HB3 ALA 4 -1.859 9.947 -0.014 29 H ASP 5 H ASP 5 -3.914 10.850 -3.258 30 HA ASP 5 HA ASP 5 -3.769 13.474 -2.380 31 HB2 ASP 5 HB2 ASP 5 -3.618 13.064 -4.713 32 HB3 ASP 5 HB3 ASP 5 -5.167 12.230 -4.745 33 H SER 6 H SER 6 -6.479 11.267 -2.392 34 HA SER 6 HA SER 6 -8.051 13.261 -0.920 35 HB2 SER 6 HB2 SER 6 -9.090 11.502 -3.157 36 HB3 SER 6 HB3 SER 6 -10.087 12.528 -2.129 37 HG SER 6 HG SER 6 -7.928 13.626 -3.584 38 H SER 7 H SER 7 -6.488 11.079 0.106 39 HA SER 7 HA SER 7 -8.633 9.290 1.045 40 HB2 SER 7 HB2 SER 7 -7.003 7.538 1.325 41 HB3 SER 7 HB3 SER 7 -6.840 8.179 -0.311 42 HG SER 7 HG SER 7 -5.282 9.412 1.615 43 H ARG 8 H ARG 8 -8.519 8.561 3.209 44 HA ARG 8 HA ARG 8 -6.692 9.835 5.048 45 HB2 ARG 8 HB2 ARG 8 -8.308 10.950 6.388 46 HB3 ARG 8 HB3 ARG 8 -8.620 11.461 4.736 47 HG2 ARG 8 HG2 ARG 8 -10.221 9.228 5.078 48 HG3 ARG 8 HG3 ARG 8 -10.340 10.099 6.607 49 HD2 ARG 8 HD2 ARG 8 -12.060 10.888 5.119 50 HD3 ARG 8 HD3 ARG 8 -10.861 12.163 5.347 51 HE ARG 8 HE ARG 8 -10.749 10.411 2.991 52 HH11 ARG 8 HH12 ARG 8 -11.031 13.622 4.383 53 HH12 ARG 8 HH11 ARG 8 -10.891 14.428 2.845 54 HH21 ARG 8 HH22 ARG 8 -10.527 11.482 0.992 55 HH22 ARG 8 HH21 ARG 8 -10.600 13.216 0.928 56 H ASN 9 H ASN 9 -7.186 8.998 7.313 57 HA ASN 9 HA ASN 9 -7.222 7.194 8.685 58 HB2 ASN 9 HB2 ASN 9 -9.777 6.978 7.162 59 HB3 ASN 9 HB3 ASN 9 -9.306 5.629 8.193 60 HD21 ASN 9 HD21 ASN 9 -11.532 7.493 8.423 61 HD22 ASN 9 HD22 ASN 9 -11.370 8.229 9.990 62 H ALA 10 H ALA 10 -5.637 6.971 6.294 63 HA ALA 10 HA ALA 10 -5.935 4.298 5.290 64 HB1 ALA 10 HB1 ALA 10 -4.977 6.175 3.963 65 HB2 ALA 10 HB2 ALA 10 -3.559 6.136 5.009 66 HB3 ALA 10 HB3 ALA 10 -3.959 4.738 4.006 67 H VAL 11 H VAL 11 -5.461 2.586 6.435 68 HA VAL 11 HA VAL 11 -3.047 2.529 8.101 69 HB VAL 11 HB VAL 11 -5.735 1.552 9.113 70 HG11 VAL 11 HG11 VAL 11 -3.882 0.277 10.003 71 HG12 VAL 11 HG12 VAL 11 -3.058 1.761 10.481 72 HG13 VAL 11 HG13 VAL 11 -4.570 1.300 11.264 73 HG21 VAL 11 HG21 VAL 11 -5.757 3.976 9.077 74 HG22 VAL 11 HG22 VAL 11 -5.647 3.394 10.737 75 HG23 VAL 11 HG23 VAL 11 -4.212 4.024 9.926 76 H LEU 12 H LEU 12 -2.246 0.375 8.414 77 HA LEU 12 HA LEU 12 -3.112 -1.450 6.331 78 HB2 LEU 12 HB2 LEU 12 -0.636 -0.886 7.582 79 HB3 LEU 12 HB3 LEU 12 -1.046 -2.535 8.001 80 HG LEU 12 HG LEU 12 -1.126 -3.197 5.709 81 HD11 LEU 12 HD11 LEU 12 -2.233 -1.239 4.778 82 HD12 LEU 12 HD12 LEU 12 -0.774 -0.280 5.029 83 HD13 LEU 12 HD13 LEU 12 -0.767 -1.611 3.874 84 HD21 LEU 12 HD21 LEU 12 1.145 -2.676 4.969 85 HD22 LEU 12 HD22 LEU 12 1.235 -1.376 6.157 86 HD23 LEU 12 HD23 LEU 12 1.101 -3.051 6.692 87 H THR 13 H THR 13 -3.952 -3.460 6.681 88 HA THR 13 HA THR 13 -4.654 -4.179 9.442 89 HB THR 13 HB THR 13 -6.488 -4.538 7.058 90 HG1 THR 13 HG1 THR 13 -7.639 -2.746 8.303 91 HG21 THR 13 HG21 THR 13 -6.867 -6.040 8.989 92 HG22 THR 13 HG22 THR 13 -8.207 -4.920 8.742 93 HG23 THR 13 HG23 THR 13 -7.041 -4.628 10.032 94 H ASN 14 H ASN 14 -5.206 -6.491 9.666 95 HA ASN 14 HA ASN 14 -4.955 -8.722 9.320 96 HB2 ASN 14 HB2 ASN 14 -5.342 -7.782 6.757 97 HB3 ASN 14 HB3 ASN 14 -3.814 -8.648 6.626 98 HD21 ASN 14 HD21 ASN 14 -6.290 -9.355 5.407 99 HD22 ASN 14 HD22 ASN 14 -6.758 -10.902 6.034 100 H GLY 15 H GLY 15 -2.667 -6.573 9.673 101 HA2 GLY 15 HA3 GLY 15 -0.563 -7.010 10.653 102 HA3 GLY 15 HA2 GLY 15 -0.559 -8.596 9.891 103 H GLY 16 H GLY 16 -1.437 -5.784 8.090 104 HA2 GLY 16 HA3 GLY 16 -0.087 -4.459 6.677 105 HA3 GLY 16 HA2 GLY 16 1.235 -5.587 6.928 106 H ARG 17 H ARG 17 -1.887 -6.845 6.223 107 HA ARG 17 HA ARG 17 -0.897 -7.662 3.584 108 HB2 ARG 17 HB2 ARG 17 -3.246 -8.930 4.949 109 HB3 ARG 17 HB3 ARG 17 -2.173 -9.612 3.735 110 HG2 ARG 17 HG2 ARG 17 -0.361 -9.523 5.524 111 HG3 ARG 17 HG3 ARG 17 -1.662 -9.204 6.663 112 HD2 ARG 17 HD2 ARG 17 -1.135 -11.575 6.611 113 HD3 ARG 17 HD3 ARG 17 -2.762 -11.282 6.001 114 HE ARG 17 HE ARG 17 -0.752 -11.402 3.941 115 HH11 ARG 17 HH12 ARG 17 -2.940 -13.296 5.922 116 HH12 ARG 17 HH11 ARG 17 -3.033 -14.609 4.779 117 HH21 ARG 17 HH22 ARG 17 -0.889 -13.136 2.447 118 HH22 ARG 17 HH21 ARG 17 -1.848 -14.526 2.835 119 H THR 18 H THR 18 -3.246 -5.771 5.185 120 HA THR 18 HA THR 18 -4.685 -5.411 2.640 121 HB THR 18 HB THR 18 -5.937 -5.348 5.392 122 HG1 THR 18 HG1 THR 18 -6.116 -7.319 3.317 123 HG21 THR 18 HG21 THR 18 -7.064 -3.871 3.825 124 HG22 THR 18 HG22 THR 18 -8.065 -5.291 4.139 125 HG23 THR 18 HG23 THR 18 -7.155 -5.169 2.632 126 H LEU 19 H LEU 19 -4.645 -3.388 1.932 127 HA LEU 19 HA LEU 19 -3.898 -1.222 3.738 128 HB2 LEU 19 HB2 LEU 19 -2.653 -1.411 1.671 129 HB3 LEU 19 HB3 LEU 19 -4.134 -1.401 0.736 130 HG LEU 19 HG LEU 19 -4.544 0.932 1.460 131 HD11 LEU 19 HD11 LEU 19 -1.789 0.720 2.663 132 HD12 LEU 19 HD12 LEU 19 -2.757 2.188 2.530 133 HD13 LEU 19 HD13 LEU 19 -3.300 0.864 3.564 134 HD21 LEU 19 HD21 LEU 19 -1.903 0.390 0.116 135 HD22 LEU 19 HD22 LEU 19 -3.482 0.481 -0.664 136 HD23 LEU 19 HD23 LEU 19 -2.776 1.923 0.069 137 H ARG 20 H ARG 20 -5.605 -0.392 4.786 138 HA ARG 20 HA ARG 20 -8.143 -0.056 3.337 139 HB2 ARG 20 HB2 ARG 20 -7.915 -1.272 5.615 140 HB3 ARG 20 HB3 ARG 20 -7.708 0.332 6.298 141 HG2 ARG 20 HG2 ARG 20 -10.113 -0.534 4.709 142 HG3 ARG 20 HG3 ARG 20 -10.009 -0.587 6.467 143 HD2 ARG 20 HD2 ARG 20 -9.932 1.841 4.687 144 HD3 ARG 20 HD3 ARG 20 -11.178 1.402 5.854 145 HE ARG 20 HE ARG 20 -8.601 2.621 6.401 146 HH11 ARG 20 HH12 ARG 20 -11.428 1.013 7.728 147 HH12 ARG 20 HH11 ARG 20 -11.164 1.617 9.342 148 HH21 ARG 20 HH22 ARG 20 -8.282 3.446 8.483 149 HH22 ARG 20 HH21 ARG 20 -9.360 3.001 9.779 150 H ALA 21 H ALA 21 -8.693 1.923 2.643 151 HA ALA 21 HA ALA 21 -7.859 4.284 4.132 152 HB1 ALA 21 HB1 ALA 21 -6.878 5.378 2.189 153 HB2 ALA 21 HB2 ALA 21 -6.001 3.900 2.586 154 HB3 ALA 21 HB3 ALA 21 -7.127 3.919 1.230 155 H GLU 22 H GLU 22 -9.226 6.017 3.866 156 HA GLU 22 HA GLU 22 -11.649 5.469 2.301 157 HB2 GLU 22 HB2 GLU 22 -11.305 7.763 4.213 158 HB3 GLU 22 HB3 GLU 22 -12.790 6.968 3.710 159 HG2 GLU 22 HG2 GLU 22 -11.839 4.903 4.905 160 HG3 GLU 22 HG3 GLU 22 -10.726 6.044 5.665 161 H CYS 23 H CYS 23 -11.587 6.251 0.296 162 HA CYS 23 HA CYS 23 -10.379 8.907 -0.102 163 HB2 CYS 23 HB2 CYS 23 -9.063 6.965 -1.059 164 HB3 CYS 23 HB3 CYS 23 -10.413 6.691 -2.154 165 HG CYS 23 HG CYS 23 -7.945 8.908 -2.348 166 H ARG 24 H ARG 24 -11.490 10.342 -1.312 167 HA ARG 24 HA ARG 24 -14.285 9.946 -1.622 168 HB2 ARG 24 HB2 ARG 24 -14.216 12.179 -1.489 169 HB3 ARG 24 HB3 ARG 24 -12.465 12.146 -1.608 170 HG2 ARG 24 HG2 ARG 24 -14.195 12.050 -4.052 171 HG3 ARG 24 HG3 ARG 24 -13.780 13.576 -3.272 172 HD2 ARG 24 HD2 ARG 24 -11.574 13.435 -3.857 173 HD3 ARG 24 HD3 ARG 24 -11.583 11.671 -3.883 174 HE ARG 24 HE ARG 24 -13.075 12.083 -5.979 175 HH11 ARG 24 HH12 ARG 24 -10.228 13.876 -4.979 176 HH12 ARG 24 HH11 ARG 24 -9.813 14.366 -6.596 177 HH21 ARG 24 HH22 ARG 24 -12.491 12.716 -8.131 178 HH22 ARG 24 HH21 ARG 24 -11.086 13.709 -8.372 179 H ASN 25 H ASN 25 -15.513 9.700 -3.510 180 HA ASN 25 HA ASN 25 -13.988 8.551 -5.720 181 HB2 ASN 25 HB2 ASN 25 -16.028 7.603 -6.505 182 HB3 ASN 25 HB3 ASN 25 -15.960 7.368 -4.771 183 HD21 ASN 25 HD21 ASN 25 -17.412 8.472 -3.441 184 HD22 ASN 25 HD22 ASN 25 -18.837 9.222 -4.090 185 H ALA 26 H ALA 26 -15.571 8.969 -7.879 186 HA ALA 26 HA ALA 26 -14.691 11.403 -8.863 187 HB1 ALA 26 HB1 ALA 26 -16.074 10.967 -10.780 188 HB2 ALA 26 HB2 ALA 26 -15.353 9.457 -10.221 189 HB3 ALA 26 HB3 ALA 26 -17.044 9.813 -9.863 190 H ASP 27 H ASP 27 -17.719 10.618 -7.252 191 HA ASP 27 HA ASP 27 -18.987 13.110 -7.920 192 HB2 ASP 27 HB2 ASP 27 -20.178 10.940 -7.345 193 HB3 ASP 27 HB3 ASP 27 -19.749 11.250 -5.667 194 H GLY 28 H GLY 28 -16.793 12.060 -5.497 195 HA2 GLY 28 HA3 GLY 28 -15.579 13.737 -4.261 196 HA3 GLY 28 HA2 GLY 28 -17.055 14.689 -4.195 197 H ASN 29 H ASN 29 -18.003 11.605 -3.658 198 HA ASN 29 HA ASN 29 -18.238 12.075 -0.805 199 HB2 ASN 29 HB2 ASN 29 -19.521 10.302 -2.782 200 HB3 ASN 29 HB3 ASN 29 -19.310 9.607 -1.181 201 HD21 ASN 29 HD21 ASN 29 -20.970 11.936 -3.099 202 HD22 ASN 29 HD22 ASN 29 -22.082 12.473 -1.885 203 H TRP 30 H TRP 30 -17.310 10.866 0.806 204 HA TRP 30 HA TRP 30 -14.825 9.612 0.162 205 HB2 TRP 30 HB2 TRP 30 -16.331 9.771 2.781 206 HB3 TRP 30 HB3 TRP 30 -14.685 9.169 2.602 207 HD1 TRP 30 HD1 TRP 30 -14.471 11.792 0.295 208 HE1 TRP 30 HE1 TRP 30 -13.728 14.027 1.331 209 HE3 TRP 30 HE3 TRP 30 -15.391 10.736 5.213 210 HZ2 TRP 30 HZ2 TRP 30 -13.540 15.170 3.900 211 HZ3 TRP 30 HZ3 TRP 30 -14.896 12.459 6.898 212 HH2 TRP 30 HH2 TRP 30 -13.992 14.631 6.252 213 H VAL 31 H VAL 31 -14.443 7.611 -0.337 214 HA VAL 31 HA VAL 31 -16.446 5.551 0.326 215 HB VAL 31 HB VAL 31 -14.452 5.352 -1.925 216 HG11 VAL 31 HG11 VAL 31 -15.456 3.270 -1.172 217 HG12 VAL 31 HG12 VAL 31 -17.067 3.949 -1.403 218 HG13 VAL 31 HG13 VAL 31 -16.013 3.686 -2.793 219 HG21 VAL 31 HG21 VAL 31 -15.769 7.339 -2.358 220 HG22 VAL 31 HG22 VAL 31 -16.224 6.047 -3.471 221 HG23 VAL 31 HG23 VAL 31 -17.262 6.430 -2.096 222 H THR 32 H THR 32 -15.750 4.155 1.812 223 HA THR 32 HA THR 32 -12.969 4.008 2.509 224 HB THR 32 HB THR 32 -15.196 2.215 3.493 225 HG1 THR 32 HG1 THR 32 -14.372 4.466 4.973 226 HG21 THR 32 HG21 THR 32 -12.881 1.530 3.997 227 HG22 THR 32 HG22 THR 32 -13.780 1.968 5.452 228 HG23 THR 32 HG23 THR 32 -12.605 3.092 4.766 229 H SER 33 H SER 33 -11.684 2.994 1.083 230 HA SER 33 HA SER 33 -12.651 0.482 -0.114 231 HB2 SER 33 HB2 SER 33 -12.119 2.418 -1.679 232 HB3 SER 33 HB3 SER 33 -10.435 2.224 -1.199 233 HG SER 33 HG SER 33 -12.098 0.366 -2.553 234 H GLU 34 H GLU 34 -11.166 -1.226 -0.328 235 HA GLU 34 HA GLU 34 -8.776 -1.058 1.358 236 HB2 GLU 34 HB2 GLU 34 -10.494 -3.518 1.385 237 HB3 GLU 34 HB3 GLU 34 -9.292 -2.994 2.557 238 HG2 GLU 34 HG2 GLU 34 -10.825 -1.136 3.181 239 HG3 GLU 34 HG3 GLU 34 -12.034 -1.851 2.126 240 H LEU 35 H LEU 35 -7.034 -1.938 0.455 241 HA LEU 35 HA LEU 35 -7.419 -3.824 -1.769 242 HB2 LEU 35 HB2 LEU 35 -6.732 -1.853 -2.862 243 HB3 LEU 35 HB3 LEU 35 -5.569 -1.463 -1.611 244 HG LEU 35 HG LEU 35 -4.088 -3.230 -2.349 245 HD11 LEU 35 HD11 LEU 35 -6.189 -3.907 -4.411 246 HD12 LEU 35 HD12 LEU 35 -4.574 -4.612 -4.306 247 HD13 LEU 35 HD13 LEU 35 -5.743 -4.897 -3.017 248 HD21 LEU 35 HD21 LEU 35 -3.912 -1.085 -3.475 249 HD22 LEU 35 HD22 LEU 35 -3.532 -2.407 -4.578 250 HD23 LEU 35 HD23 LEU 35 -5.098 -1.603 -4.672 251 H ASP 36 H ASP 36 -6.699 -5.692 -1.222 252 HA ASP 36 HA ASP 36 -4.998 -6.156 0.975 253 HB2 ASP 36 HB2 ASP 36 -5.989 -7.862 -1.296 254 HB3 ASP 36 HB3 ASP 36 -4.868 -8.485 -0.102 255 H LEU 37 H LEU 37 -2.971 -5.521 0.988 256 HA LEU 37 HA LEU 37 -1.361 -5.007 -1.254 257 HB2 LEU 37 HB2 LEU 37 -0.545 -5.734 1.558 258 HB3 LEU 37 HB3 LEU 37 0.511 -5.034 0.337 259 HG LEU 37 HG LEU 37 -1.801 -3.764 1.727 260 HD11 LEU 37 HD11 LEU 37 1.097 -3.100 1.486 261 HD12 LEU 37 HD12 LEU 37 -0.099 -2.203 2.427 262 HD13 LEU 37 HD13 LEU 37 0.313 -3.863 2.867 263 HD21 LEU 37 HD21 LEU 37 -0.245 -2.685 -0.615 264 HD22 LEU 37 HD22 LEU 37 -1.932 -3.199 -0.646 265 HD23 LEU 37 HD23 LEU 37 -1.453 -1.806 0.324 266 H ASP 38 H ASP 38 -1.663 -7.727 0.906 267 HA ASP 38 HA ASP 38 0.377 -9.322 -0.204 268 HB2 ASP 38 HB2 ASP 38 -0.362 -11.041 1.175 269 HB3 ASP 38 HB3 ASP 38 -0.930 -9.614 2.034 270 H THR 39 H THR 39 -2.419 -8.255 -1.643 271 HA THR 39 HA THR 39 -2.720 -10.733 -3.203 272 HB THR 39 HB THR 39 -4.679 -9.236 -2.117 273 HG1 THR 39 HG1 THR 39 -5.918 -10.654 -3.113 274 HG21 THR 39 HG21 THR 39 -4.264 -7.313 -3.567 275 HG22 THR 39 HG22 THR 39 -5.851 -8.018 -3.876 276 HG23 THR 39 HG23 THR 39 -4.518 -8.329 -4.987 277 H ILE 40 H ILE 40 -1.280 -7.666 -3.382 278 HA ILE 40 HA ILE 40 -0.722 -8.098 -6.218 279 HB ILE 40 HB ILE 40 -1.062 -5.616 -6.660 280 HG12 ILE 40 HG13 ILE 40 -3.059 -4.788 -5.138 281 HG13 ILE 40 3HG1 ILE 40 -2.336 -5.883 -3.970 282 HG21 ILE 40 HG21 ILE 40 -3.458 -5.899 -7.126 283 HG22 ILE 40 HG22 ILE 40 -2.510 -7.307 -7.604 284 HG23 ILE 40 HG23 ILE 40 -3.468 -7.350 -6.124 285 HD11 ILE 40 HD11 ILE 40 -1.571 -3.617 -3.638 286 HD12 ILE 40 HD12 ILE 40 -0.235 -4.658 -4.129 287 HD13 ILE 40 HD13 ILE 40 -0.971 -3.559 -5.296 288 H ILE 41 H ILE 41 0.616 -7.902 -3.416 289 HA ILE 41 HA ILE 41 2.903 -6.307 -4.370 290 HB ILE 41 HB ILE 41 1.882 -6.484 -1.537 291 HG12 ILE 41 HG13 ILE 41 1.767 -4.413 -3.674 292 HG13 ILE 41 3HG1 ILE 41 0.580 -4.829 -2.443 293 HG21 ILE 41 HG21 ILE 41 4.313 -6.539 -1.559 294 HG22 ILE 41 HG22 ILE 41 4.346 -5.091 -2.566 295 HG23 ILE 41 HG23 ILE 41 3.715 -5.005 -0.918 296 HD11 ILE 41 HD11 ILE 41 3.108 -3.268 -2.013 297 HD12 ILE 41 HD12 ILE 41 1.468 -2.617 -2.059 298 HD13 ILE 41 HD13 ILE 41 1.950 -3.708 -0.757 299 H GLY 42 H GLY 42 4.799 -7.366 -4.364 300 HA2 GLY 42 HA3 GLY 42 4.910 -9.902 -2.851 301 HA3 GLY 42 HA2 GLY 42 5.467 -9.802 -4.514 302 H ASN 43 H ASN 43 7.073 -10.676 -2.422 303 HA ASN 43 HA ASN 43 8.981 -8.461 -2.114 304 HB2 ASN 43 HB2 ASN 43 8.409 -9.198 0.067 305 HB3 ASN 43 HB3 ASN 43 8.444 -10.888 -0.411 306 HD21 ASN 43 HD21 ASN 43 9.827 -11.414 1.252 307 HD22 ASN 43 HD22 ASN 43 11.518 -11.012 1.194 308 H ASN 44 H ASN 44 10.517 -8.571 -3.587 309 HA ASN 44 HA ASN 44 11.408 -11.228 -4.490 310 HB2 ASN 44 HB2 ASN 44 10.439 -9.638 -6.195 311 HB3 ASN 44 HB3 ASN 44 11.814 -8.583 -5.892 312 HD21 ASN 44 HD21 ASN 44 10.748 -11.590 -7.245 313 HD22 ASN 44 HD22 ASN 44 12.190 -11.923 -8.148 314 H ASP 45 H ASP 45 12.832 -11.550 -2.768 315 HA ASP 45 HA ASP 45 14.795 -11.478 -1.627 316 HB2 ASP 45 HB2 ASP 45 15.620 -12.006 -3.900 317 HB3 ASP 45 HB3 ASP 45 15.812 -10.289 -4.222 318 H GLY 46 H GLY 46 13.393 -9.541 -0.574 319 HA2 GLY 46 HA3 GLY 46 13.676 -7.625 0.669 320 HA3 GLY 46 HA2 GLY 46 15.357 -7.606 0.158 321 H HIS 47 H HIS 47 12.455 -7.498 -1.841 322 HA HIS 47 HA HIS 47 12.727 -4.671 -2.343 323 HB2 HIS 47 HB2 HIS 47 14.458 -5.787 -3.825 324 HB3 HIS 47 HB3 HIS 47 13.126 -6.586 -4.652 325 HD1 HIS 47 HD1 HIS 47 14.856 -3.315 -4.307 326 HD2 HIS 47 HD2 HIS 47 11.587 -4.905 -6.326 327 HE1 HIS 47 HE1 HIS 47 14.217 -1.592 -6.025 328 HE2 HIS 47 HE2 HIS 47 12.385 -2.677 -7.378 329 H PHE 48 H PHE 48 10.680 -4.008 -2.334 330 HA PHE 48 HA PHE 48 8.470 -5.726 -2.628 331 HB2 PHE 48 HB2 PHE 48 8.713 -2.726 -2.732 332 HB3 PHE 48 HB3 PHE 48 7.167 -3.545 -2.936 333 HD1 PHE 48 HD2 PHE 48 6.488 -5.187 -1.048 334 HD2 PHE 48 HD1 PHE 48 9.450 -2.161 -0.624 335 HE1 PHE 48 HE2 PHE 48 6.217 -5.267 1.396 336 HE2 PHE 48 HE1 PHE 48 9.186 -2.241 1.820 337 HZ PHE 48 HZ PHE 48 7.567 -3.792 2.833 338 H GLN 49 H GLN 49 7.176 -6.226 -4.277 339 HA GLN 49 HA GLN 49 7.824 -5.124 -6.913 340 HB2 GLN 49 HB2 GLN 49 8.811 -7.239 -7.026 341 HB3 GLN 49 HB3 GLN 49 7.553 -7.986 -6.050 342 HG2 GLN 49 HG2 GLN 49 6.050 -8.057 -7.833 343 HG3 GLN 49 HG3 GLN 49 6.970 -6.890 -8.777 344 HE21 GLN 49 HE21 GLN 49 6.044 -9.570 -9.475 345 HE22 GLN 49 HE22 GLN 49 7.459 -10.460 -9.925 346 H TRP 50 H TRP 50 6.125 -4.090 -7.664 347 HA TRP 50 HA TRP 50 3.503 -4.479 -6.626 348 HB2 TRP 50 HB2 TRP 50 4.583 -2.908 -8.968 349 HB3 TRP 50 HB3 TRP 50 2.857 -3.001 -8.630 350 HD1 TRP 50 HD1 TRP 50 5.867 -1.018 -7.764 351 HE1 TRP 50 HE1 TRP 50 5.342 0.598 -5.817 352 HE3 TRP 50 HE3 TRP 50 1.394 -2.981 -6.256 353 HZ2 TRP 50 HZ2 TRP 50 3.318 0.976 -3.909 354 HZ3 TRP 50 HZ3 TRP 50 0.228 -1.937 -4.357 355 HH2 TRP 50 HH2 TRP 50 1.171 0.001 -3.211 356 H GLY 51 H GLY 51 2.297 -6.154 -7.036 357 HA2 GLY 51 HA3 GLY 51 0.931 -7.416 -8.537 358 HA3 GLY 51 HA2 GLY 51 2.152 -7.199 -9.784 359 H GLY 52 H GLY 52 3.005 -8.106 -6.518 360 HA2 GLY 52 HA3 GLY 52 3.992 -10.659 -7.578 361 HA3 GLY 52 HA2 GLY 52 4.523 -9.886 -6.092 362 H GLN 53 H GLN 53 2.305 -9.454 -4.689 363 HA GLN 53 HA GLN 53 0.702 -10.336 -3.374 364 HB2 GLN 53 HB2 GLN 53 -0.691 -11.057 -5.064 365 HB3 GLN 53 HB3 GLN 53 0.489 -12.192 -5.708 366 HG2 GLN 53 HG2 GLN 53 0.097 -13.665 -3.785 367 HG3 GLN 53 HG3 GLN 53 -1.096 -12.523 -3.171 368 HE21 GLN 53 HE21 GLN 53 -2.744 -14.028 -3.253 369 HE22 GLN 53 HE22 GLN 53 -3.452 -14.546 -4.754 370 H ASN 54 H ASN 54 0.617 -11.641 -1.606 371 HA ASN 54 HA ASN 54 1.315 -13.027 0.037 372 HB2 ASN 54 HB2 ASN 54 2.448 -14.500 -2.325 373 HB3 ASN 54 HB3 ASN 54 2.743 -15.054 -0.678 374 HD21 ASN 54 HD21 ASN 54 1.198 -16.202 -2.949 375 HD22 ASN 54 HD22 ASN 54 -0.381 -16.511 -2.300 376 H PHE 55 H PHE 55 2.751 -10.676 -0.505 377 HA PHE 55 HA PHE 55 5.565 -11.216 -0.274 378 HB2 PHE 55 HB2 PHE 55 5.887 -8.896 -0.322 379 HB3 PHE 55 HB3 PHE 55 4.405 -9.082 -1.246 380 HD1 PHE 55 HD1 PHE 55 2.208 -8.609 -0.120 381 HD2 PHE 55 HD2 PHE 55 5.957 -7.584 1.619 382 HE1 PHE 55 HE1 PHE 55 1.083 -6.987 1.346 383 HE2 PHE 55 HE2 PHE 55 4.833 -5.968 3.095 384 HZ PHE 55 HZ PHE 55 2.396 -5.665 2.956 385 H THR 56 H THR 56 2.877 -10.701 1.814 386 HA THR 56 HA THR 56 4.194 -10.038 4.194 387 HB THR 56 HB THR 56 2.064 -10.918 5.261 388 HG1 THR 56 HG1 THR 56 1.323 -12.411 3.805 389 HG21 THR 56 HG21 THR 56 2.236 -8.592 4.760 390 HG22 THR 56 HG22 THR 56 0.659 -9.127 4.180 391 HG23 THR 56 HG23 THR 56 1.980 -8.883 3.044 392 H GLU 57 H GLU 57 3.792 -13.081 2.567 393 HA GLU 57 HA GLU 57 4.210 -14.704 4.877 394 HB2 GLU 57 HB2 GLU 57 4.142 -16.543 3.448 395 HB3 GLU 57 HB3 GLU 57 3.125 -15.367 2.630 396 HG2 GLU 57 HG2 GLU 57 4.814 -14.895 1.043 397 HG3 GLU 57 HG3 GLU 57 6.006 -15.819 1.955 398 H THR 58 H THR 58 6.195 -12.796 2.943 399 HA THR 58 HA THR 58 8.611 -14.107 4.004 400 HB THR 58 HB THR 58 9.814 -13.332 1.999 401 HG1 THR 58 HG1 THR 58 7.463 -11.975 1.616 402 HG21 THR 58 HG21 THR 58 7.328 -14.896 1.300 403 HG22 THR 58 HG22 THR 58 8.794 -15.579 2.004 404 HG23 THR 58 HG23 THR 58 8.836 -14.877 0.385 405 H ALA 59 H ALA 59 6.723 -11.757 4.688 406 HA ALA 59 HA ALA 59 8.855 -9.815 5.208 407 HB1 ALA 59 HB1 ALA 59 7.334 -7.985 4.792 408 HB2 ALA 59 HB2 ALA 59 7.411 -9.025 3.369 409 HB3 ALA 59 HB3 ALA 59 6.021 -9.114 4.452 410 H GLU 60 H GLU 60 8.590 -8.531 7.051 411 HA GLU 60 HA GLU 60 6.498 -9.198 8.966 412 HB2 GLU 60 HB2 GLU 60 8.796 -9.107 10.549 413 HB3 GLU 60 HB3 GLU 60 7.806 -10.518 10.216 414 HG2 GLU 60 HG2 GLU 60 9.225 -11.167 8.408 415 HG3 GLU 60 HG3 GLU 60 10.149 -9.664 8.514 416 H ASP 61 H ASP 61 6.897 -7.731 11.007 417 HA ASP 61 HA ASP 61 6.800 -5.568 11.773 418 HB2 ASP 61 HB2 ASP 61 9.348 -6.112 11.486 419 HB3 ASP 61 HB3 ASP 61 9.247 -4.997 10.135 420 H ILE 62 H ILE 62 5.035 -5.770 9.831 421 HA ILE 62 HA ILE 62 5.585 -3.847 7.730 422 HB ILE 62 HB ILE 62 2.921 -5.185 8.125 423 HG12 ILE 62 HG13 ILE 62 5.505 -6.361 7.088 424 HG13 ILE 62 3HG1 ILE 62 4.407 -7.032 8.284 425 HG21 ILE 62 HG21 ILE 62 4.483 -4.259 5.705 426 HG22 ILE 62 HG22 ILE 62 2.901 -5.035 5.658 427 HG23 ILE 62 HG23 ILE 62 3.086 -3.457 6.423 428 HD11 ILE 62 HD11 ILE 62 2.741 -7.395 6.515 429 HD12 ILE 62 HD12 ILE 62 3.904 -6.793 5.333 430 HD13 ILE 62 HD13 ILE 62 4.247 -8.270 6.235 431 H ARG 63 H ARG 63 5.441 -1.806 8.219 432 HA ARG 63 HA ARG 63 3.045 -0.857 9.641 433 HB2 ARG 63 HB2 ARG 63 4.697 1.098 10.301 434 HB3 ARG 63 HB3 ARG 63 4.580 -0.365 11.266 435 HG2 ARG 63 HG2 ARG 63 6.523 -0.739 9.200 436 HG3 ARG 63 HG3 ARG 63 6.871 0.745 10.091 437 HD2 ARG 63 HD2 ARG 63 7.916 -1.359 11.002 438 HD3 ARG 63 HD3 ARG 63 6.975 -0.411 12.157 439 HE ARG 63 HE ARG 63 5.970 -2.841 10.821 440 HH11 ARG 63 HH12 ARG 63 6.260 -0.789 13.641 441 HH12 ARG 63 HH11 ARG 63 5.239 -1.787 14.633 442 HH21 ARG 63 HH22 ARG 63 4.646 -4.176 12.121 443 HH22 ARG 63 HH21 ARG 63 4.339 -3.729 13.774 444 H PHE 64 H PHE 64 1.867 0.506 8.507 445 HA PHE 64 HA PHE 64 2.918 1.483 5.968 446 HB2 PHE 64 HB2 PHE 64 0.817 0.346 5.820 447 HB3 PHE 64 HB3 PHE 64 0.138 1.320 7.119 448 HD1 PHE 64 HD1 PHE 64 1.965 2.127 3.966 449 HD2 PHE 64 HD2 PHE 64 -1.507 2.685 6.357 450 HE1 PHE 64 HE1 PHE 64 1.106 3.755 2.337 451 HE2 PHE 64 HE2 PHE 64 -2.362 4.310 4.732 452 HZ PHE 64 HZ PHE 64 -1.064 4.844 2.716 453 H HIS 65 H HIS 65 3.254 3.531 5.459 454 HA HIS 65 HA HIS 65 2.471 5.604 7.411 455 HB2 HIS 65 HB2 HIS 65 5.027 4.922 7.050 456 HB3 HIS 65 HB3 HIS 65 4.868 6.029 5.688 457 HD1 HIS 65 HD1 HIS 65 4.613 5.936 9.444 458 HD2 HIS 65 HD2 HIS 65 4.848 8.712 6.359 459 HE1 HIS 65 HE1 HIS 65 4.965 8.164 10.561 460 HE2 HIS 65 HE2 HIS 65 5.303 9.793 8.670 461 HA PRO 66 HA PRO 66 0.206 6.435 3.515 462 HB2 PRO 66 HB2 PRO 66 -1.544 8.138 4.822 463 HB3 PRO 66 HB3 PRO 66 -1.784 6.417 4.568 464 HG2 PRO 66 HG2 PRO 66 -0.856 7.855 6.987 465 HG3 PRO 66 HG3 PRO 66 -1.853 6.393 6.858 466 HD2 PRO 66 HD2 PRO 66 0.770 6.330 7.543 467 HD3 PRO 66 HD3 PRO 66 -0.014 5.008 6.652 468 H LYS 67 H LYS 67 1.060 8.789 5.912 469 HA LYS 67 HA LYS 67 1.680 10.678 3.749 470 HB2 LYS 67 HB2 LYS 67 1.180 12.279 5.985 471 HB3 LYS 67 HB3 LYS 67 0.183 12.122 4.549 472 HG2 LYS 67 HG2 LYS 67 -0.133 10.198 6.806 473 HG3 LYS 67 HG3 LYS 67 -0.858 11.803 6.896 474 HD2 LYS 67 HD2 LYS 67 -1.299 10.048 4.505 475 HD3 LYS 67 HD3 LYS 67 -2.258 9.831 5.966 476 HE2 LYS 67 HE2 LYS 67 -3.484 11.247 4.479 477 HE3 LYS 67 HE3 LYS 67 -2.907 12.235 5.819 478 HZ1 LYS 67 HZ1 LYS 67 -1.385 12.074 3.289 479 HZ2 LYS 67 HZ2 LYS 67 -1.363 13.297 4.470 480 HZ3 LYS 67 HZ3 LYS 67 -2.701 13.129 3.444 481 H GLU 68 H GLU 68 3.818 10.055 3.751 482 HA GLU 68 HA GLU 68 5.407 10.151 6.108 483 HB2 GLU 68 HB2 GLU 68 6.188 8.731 4.377 484 HB3 GLU 68 HB3 GLU 68 6.142 10.029 3.190 485 HG2 GLU 68 HG2 GLU 68 8.030 11.069 4.060 486 HG3 GLU 68 HG3 GLU 68 7.914 10.203 5.595 487 H GLY 69 H GLY 69 5.697 11.934 7.182 488 HA2 GLY 69 HA3 GLY 69 6.253 14.076 7.733 489 HA3 GLY 69 HA2 GLY 69 7.344 13.997 6.363 490 H ALA 70 H ALA 70 7.072 16.118 5.842 491 HA ALA 70 HA ALA 70 4.516 17.298 5.373 492 HB1 ALA 70 HB1 ALA 70 6.447 18.644 6.022 493 HB2 ALA 70 HB2 ALA 70 7.266 18.203 4.524 494 HB3 ALA 70 HB3 ALA 70 5.798 19.180 4.472 495 H ALA 71 H ALA 71 6.629 15.285 3.610 496 HA ALA 71 HA ALA 71 5.877 16.052 0.969 497 HB1 ALA 71 HB1 ALA 71 7.940 14.821 1.383 498 HB2 ALA 71 HB2 ALA 71 7.024 13.457 2.027 499 HB3 ALA 71 HB3 ALA 71 6.885 13.890 0.321 500 H GLU 72 H GLU 72 4.539 14.111 3.472 501 HA GLU 72 HA GLU 72 2.739 12.751 3.666 502 HB2 GLU 72 HB2 GLU 72 1.675 14.767 1.691 503 HB3 GLU 72 HB3 GLU 72 0.675 13.589 2.531 504 HG2 GLU 72 HG2 GLU 72 1.587 14.563 4.683 505 HG3 GLU 72 HG3 GLU 72 2.218 15.880 3.696 506 H GLN 73 H GLN 73 4.531 11.527 2.179 507 HA GLN 73 HA GLN 73 3.122 10.530 -0.184 508 HB2 GLN 73 HB2 GLN 73 6.009 10.405 0.652 509 HB3 GLN 73 HB3 GLN 73 5.370 9.403 -0.647 510 HG2 GLN 73 HG2 GLN 73 4.620 11.485 -1.786 511 HG3 GLN 73 HG3 GLN 73 5.452 12.405 -0.532 512 HE21 GLN 73 HE21 GLN 73 6.826 13.348 -2.024 513 HE22 GLN 73 HE22 GLN 73 8.126 12.465 -2.762 514 HA PRO 74 HA PRO 74 2.103 6.974 2.267 515 HB2 PRO 74 HB2 PRO 74 0.832 5.605 0.307 516 HB3 PRO 74 HB3 PRO 74 0.081 6.953 1.167 517 HG2 PRO 74 HG2 PRO 74 1.389 6.918 -1.524 518 HG3 PRO 74 HG3 PRO 74 -0.097 7.739 -1.012 519 HD2 PRO 74 HD2 PRO 74 2.287 9.020 -1.266 520 HD3 PRO 74 HD3 PRO 74 1.053 9.510 -0.088 521 H ILE 75 H ILE 75 3.878 5.834 2.706 522 HA ILE 75 HA ILE 75 4.853 4.051 0.600 523 HB ILE 75 HB ILE 75 7.121 4.414 1.026 524 HG12 ILE 75 HG13 ILE 75 7.576 6.249 2.995 525 HG13 ILE 75 3HG1 ILE 75 6.213 5.355 3.665 526 HG21 ILE 75 HG21 ILE 75 6.207 6.246 -0.238 527 HG22 ILE 75 HG22 ILE 75 5.798 7.112 1.246 528 HG23 ILE 75 HG23 ILE 75 7.489 6.843 0.816 529 HD11 ILE 75 HD11 ILE 75 8.313 4.409 4.406 530 HD12 ILE 75 HD12 ILE 75 7.452 3.264 3.373 531 HD13 ILE 75 HD13 ILE 75 8.821 4.176 2.735 532 H LEU 76 H LEU 76 5.326 2.016 1.264 533 HA LEU 76 HA LEU 76 4.656 1.411 4.062 534 HB2 LEU 76 HB2 LEU 76 3.049 0.561 2.419 535 HB3 LEU 76 HB3 LEU 76 4.331 -0.275 1.579 536 HG LEU 76 HG LEU 76 2.709 -1.553 3.181 537 HD11 LEU 76 HD11 LEU 76 5.688 -2.015 3.198 538 HD12 LEU 76 HD12 LEU 76 4.457 -3.207 3.618 539 HD13 LEU 76 HD13 LEU 76 4.555 -2.583 1.971 540 HD21 LEU 76 HD21 LEU 76 3.602 -1.816 5.430 541 HD22 LEU 76 HD22 LEU 76 4.804 -0.568 5.100 542 HD23 LEU 76 HD23 LEU 76 3.088 -0.156 5.128 543 H ARG 77 H ARG 77 6.209 0.606 5.284 544 HA ARG 77 HA ARG 77 8.503 -0.649 3.938 545 HB2 ARG 77 HB2 ARG 77 10.037 0.325 5.428 546 HB3 ARG 77 HB3 ARG 77 8.953 1.633 4.996 547 HG2 ARG 77 HG2 ARG 77 8.623 0.034 7.516 548 HG3 ARG 77 HG3 ARG 77 9.644 1.466 7.420 549 HD2 ARG 77 HD2 ARG 77 6.701 1.368 6.799 550 HD3 ARG 77 HD3 ARG 77 7.409 1.969 8.298 551 HE ARG 77 HE ARG 77 7.756 3.218 5.651 552 HH11 ARG 77 HH12 ARG 77 7.655 3.425 9.140 553 HH12 ARG 77 HH11 ARG 77 7.848 5.148 9.181 554 HH21 ARG 77 HH22 ARG 77 8.017 5.493 5.689 555 HH22 ARG 77 HH21 ARG 77 8.055 6.331 7.210 556 H ALA 78 H ALA 78 9.262 -2.510 4.759 557 HA ALA 78 HA ALA 78 8.461 -3.569 7.314 558 HB1 ALA 78 HB1 ALA 78 7.451 -4.917 4.805 559 HB2 ALA 78 HB2 ALA 78 7.309 -5.541 6.449 560 HB3 ALA 78 HB3 ALA 78 6.455 -4.069 5.988 561 H ARG 79 H ARG 79 9.354 -5.895 7.510 562 HA ARG 79 HA ARG 79 12.057 -5.869 6.449 563 HB2 ARG 79 HB2 ARG 79 10.935 -8.106 8.117 564 HB3 ARG 79 HB3 ARG 79 12.588 -7.530 8.023 565 HG2 ARG 79 HG2 ARG 79 10.274 -6.295 9.485 566 HG3 ARG 79 HG3 ARG 79 11.776 -6.937 10.150 567 HD2 ARG 79 HD2 ARG 79 13.003 -5.134 8.945 568 HD3 ARG 79 HD3 ARG 79 11.440 -4.470 8.466 569 HE ARG 79 HE ARG 79 10.985 -4.070 10.828 570 HH11 ARG 79 HH12 ARG 79 14.319 -4.690 9.923 571 HH12 ARG 79 HH11 ARG 79 14.981 -3.842 11.289 572 HH21 ARG 79 HH22 ARG 79 11.847 -2.962 12.622 573 HH22 ARG 79 HH21 ARG 79 13.572 -2.871 12.839 574 H LEU 80 H LEU 80 12.465 -6.760 4.550 575 HA LEU 80 HA LEU 80 10.682 -8.851 3.539 576 HB2 LEU 80 HB2 LEU 80 12.375 -6.757 2.298 577 HB3 LEU 80 HB3 LEU 80 12.210 -8.265 1.424 578 HG LEU 80 HG LEU 80 9.908 -7.982 1.133 579 HD11 LEU 80 HD11 LEU 80 8.593 -6.244 2.214 580 HD12 LEU 80 HD12 LEU 80 9.294 -7.388 3.364 581 HD13 LEU 80 HD13 LEU 80 10.011 -5.788 3.160 582 HD21 LEU 80 HD21 LEU 80 11.160 -6.569 -0.335 583 HD22 LEU 80 HD22 LEU 80 9.677 -5.744 0.144 584 HD23 LEU 80 HD23 LEU 80 11.214 -5.297 0.886 585 H ARG 81 H ARG 81 11.317 -10.854 3.237 586 HA ARG 81 HA ARG 81 13.914 -11.672 4.127 587 HB2 ARG 81 HB2 ARG 81 12.051 -13.092 4.649 588 HB3 ARG 81 HB3 ARG 81 11.590 -13.202 2.958 589 HG2 ARG 81 HG2 ARG 81 14.305 -14.137 3.576 590 HG3 ARG 81 HG3 ARG 81 13.005 -15.093 4.278 591 HD2 ARG 81 HD2 ARG 81 11.980 -15.009 1.905 592 HD3 ARG 81 HD3 ARG 81 13.596 -14.506 1.404 593 HE ARG 81 HE ARG 81 14.435 -16.618 2.120 594 HH11 ARG 81 HH12 ARG 81 10.949 -16.362 2.186 595 HH12 ARG 81 HH11 ARG 81 10.681 -18.062 1.964 596 HH21 ARG 81 HH22 ARG 81 14.096 -18.878 1.847 597 HH22 ARG 81 HH21 ARG 81 12.473 -19.492 1.800 598 H ASP 82 H ASP 82 15.599 -12.431 2.966 599 HA ASP 82 HA ASP 82 15.493 -11.906 0.077 600 HB2 ASP 82 HB2 ASP 82 17.714 -11.327 0.140 601 HB3 ASP 82 HB3 ASP 82 17.241 -10.875 1.773 602 H CYS 83 H CYS 83 17.172 -13.385 -1.158 603 HA CYS 83 HA CYS 83 16.124 -15.976 -1.138 604 HB2 CYS 83 HB2 CYS 83 18.783 -15.103 -2.282 605 HB3 CYS 83 HB3 CYS 83 17.874 -16.542 -2.735 606 HG CYS 83 HG CYS 83 16.999 -13.292 -3.328 607 H ASN 84 H ASN 84 18.719 -14.623 0.732 608 HA ASN 84 HA ASN 84 19.984 -17.112 1.363 609 HB2 ASN 84 HB2 ASN 84 21.328 -15.182 1.588 610 HB3 ASN 84 HB3 ASN 84 20.112 -14.340 2.536 611 HD21 ASN 84 HD21 ASN 84 20.007 -14.647 4.708 612 HD22 ASN 84 HD22 ASN 84 21.148 -15.590 5.603 613 H GLY 85 H GLY 85 17.316 -15.293 2.636 614 HA2 GLY 85 HA3 GLY 85 15.598 -16.428 3.873 615 HA3 GLY 85 HA2 GLY 85 16.836 -17.472 4.558 616 H GLU 86 H GLU 86 16.947 -13.967 4.252 617 HA GLU 86 HA GLU 86 16.897 -13.783 7.198 618 HB2 GLU 86 HB2 GLU 86 18.506 -12.021 7.145 619 HB3 GLU 86 HB3 GLU 86 19.156 -13.313 6.154 620 HG2 GLU 86 HG2 GLU 86 18.609 -12.157 4.150 621 HG3 GLU 86 HG3 GLU 86 17.692 -10.944 5.032 622 H PHE 87 H PHE 87 16.722 -11.069 7.442 623 HA PHE 87 HA PHE 87 14.454 -10.262 5.793 624 HB2 PHE 87 HB2 PHE 87 14.414 -10.413 8.807 625 HB3 PHE 87 HB3 PHE 87 13.277 -9.435 7.883 626 HD1 PHE 87 HD2 PHE 87 11.689 -10.535 6.328 627 HD2 PHE 87 HD1 PHE 87 14.156 -12.765 8.982 628 HE1 PHE 87 HE2 PHE 87 10.239 -12.496 6.022 629 HE2 PHE 87 HE1 PHE 87 12.710 -14.732 8.677 630 HZ PHE 87 HZ PHE 87 10.748 -14.598 7.198 631 H HIS 88 H HIS 88 14.515 -8.218 5.211 632 HA HIS 88 HA HIS 88 16.137 -6.309 6.740 633 HB2 HIS 88 HB2 HIS 88 17.490 -7.334 4.837 634 HB3 HIS 88 HB3 HIS 88 16.364 -6.549 3.735 635 HD1 HIS 88 HD1 HIS 88 19.589 -6.061 4.573 636 HD2 HIS 88 HD2 HIS 88 16.295 -3.548 4.958 637 HE1 HIS 88 HE1 HIS 88 20.523 -3.724 4.696 638 HE2 HIS 88 HE2 HIS 88 18.509 -2.213 4.840 639 H ASP 89 H ASP 89 14.995 -4.538 7.077 640 HA ASP 89 HA ASP 89 12.424 -4.158 6.038 641 HB2 ASP 89 HB2 ASP 89 12.645 -1.847 7.058 642 HB3 ASP 89 HB3 ASP 89 12.904 -3.205 8.148 643 H ARG 90 H ARG 90 11.834 -3.611 4.093 644 HA ARG 90 HA ARG 90 13.482 -1.677 2.591 645 HB2 ARG 90 HB2 ARG 90 11.580 -3.796 1.563 646 HB3 ARG 90 HB3 ARG 90 12.415 -2.623 0.555 647 HG2 ARG 90 HG2 ARG 90 13.682 -4.789 2.214 648 HG3 ARG 90 HG3 ARG 90 13.526 -4.753 0.455 649 HD2 ARG 90 HD2 ARG 90 14.904 -2.676 0.446 650 HD3 ARG 90 HD3 ARG 90 15.159 -2.888 2.177 651 HE ARG 90 HE ARG 90 15.872 -5.207 0.657 652 HH11 ARG 90 HH12 ARG 90 17.004 -2.091 1.785 653 HH12 ARG 90 HH11 ARG 90 18.688 -2.493 1.589 654 HH21 ARG 90 HH22 ARG 90 18.065 -5.752 0.417 655 HH22 ARG 90 HH21 ARG 90 19.294 -4.581 0.810 656 H ASP 91 H ASP 91 11.827 -0.633 0.824 657 HA ASP 91 HA ASP 91 9.339 0.067 2.141 658 HB2 ASP 91 HB2 ASP 91 9.772 2.509 1.782 659 HB3 ASP 91 HB3 ASP 91 10.785 1.780 3.023 660 H VAL 92 H VAL 92 7.803 0.945 0.749 661 HA VAL 92 HA VAL 92 8.539 1.035 -2.081 662 HB VAL 92 HB VAL 92 7.665 -1.222 -1.611 663 HG11 VAL 92 HG11 VAL 92 6.121 -0.726 0.192 664 HG12 VAL 92 HG12 VAL 92 5.103 0.197 -0.913 665 HG13 VAL 92 HG13 VAL 92 5.283 -1.545 -1.127 666 HG21 VAL 92 HG21 VAL 92 5.970 0.496 -3.390 667 HG22 VAL 92 HG22 VAL 92 7.476 -0.321 -3.810 668 HG23 VAL 92 HG23 VAL 92 6.034 -1.267 -3.440 669 H ASN 93 H ASN 93 7.316 2.339 -3.333 670 HA ASN 93 HA ASN 93 5.923 4.456 -1.943 671 HB2 ASN 93 HB2 ASN 93 6.843 4.023 -4.767 672 HB3 ASN 93 HB3 ASN 93 5.727 5.324 -4.379 673 HD21 ASN 93 HD21 ASN 93 8.944 4.085 -3.953 674 HD22 ASN 93 HD22 ASN 93 9.642 5.562 -3.372 675 H LEU 94 H LEU 94 3.860 4.166 -1.416 676 HA LEU 94 HA LEU 94 2.181 2.377 -2.933 677 HB2 LEU 94 HB2 LEU 94 1.579 4.118 -0.545 678 HB3 LEU 94 HB3 LEU 94 0.428 3.018 -1.276 679 HG LEU 94 HG LEU 94 2.725 2.459 0.507 680 HD11 LEU 94 HD11 LEU 94 0.049 1.162 0.049 681 HD12 LEU 94 HD12 LEU 94 1.192 0.738 1.324 682 HD13 LEU 94 HD13 LEU 94 0.446 2.336 1.305 683 HD21 LEU 94 HD21 LEU 94 3.420 1.299 -1.541 684 HD22 LEU 94 HD22 LEU 94 2.958 0.164 -0.272 685 HD23 LEU 94 HD23 LEU 94 1.854 0.489 -1.607 686 H ASN 95 H ASN 95 3.158 5.389 -3.564 687 HA ASN 95 HA ASN 95 0.811 6.821 -4.162 688 HB2 ASN 95 HB2 ASN 95 3.390 7.021 -5.730 689 HB3 ASN 95 HB3 ASN 95 2.147 8.256 -5.553 690 HD21 ASN 95 HD21 ASN 95 4.959 6.877 -4.295 691 HD22 ASN 95 HD22 ASN 95 5.112 7.865 -2.891 692 H ARG 96 H ARG 96 2.246 4.102 -5.598 693 HA ARG 96 HA ARG 96 1.412 4.310 -8.264 694 HB2 ARG 96 HB2 ARG 96 2.056 2.041 -6.424 695 HB3 ARG 96 HB3 ARG 96 1.322 1.693 -7.979 696 HG2 ARG 96 HG2 ARG 96 3.763 1.488 -8.004 697 HG3 ARG 96 HG3 ARG 96 3.168 2.697 -9.137 698 HD2 ARG 96 HD2 ARG 96 3.916 3.674 -6.444 699 HD3 ARG 96 HD3 ARG 96 5.228 3.102 -7.471 700 HE ARG 96 HE ARG 96 3.385 5.300 -8.134 701 HH11 ARG 96 HH12 ARG 96 6.399 3.580 -8.621 702 HH12 ARG 96 HH11 ARG 96 7.114 4.850 -9.574 703 HH21 ARG 96 HH22 ARG 96 4.308 6.950 -9.414 704 HH22 ARG 96 HH21 ARG 96 5.922 6.751 -10.047 705 H ILE 97 H ILE 97 -0.252 3.532 -5.324 706 HA ILE 97 HA ILE 97 -2.563 2.390 -6.584 707 HB ILE 97 HB ILE 97 -2.257 3.417 -3.765 708 HG12 ILE 97 HG13 ILE 97 -2.125 0.523 -4.468 709 HG13 ILE 97 3HG1 ILE 97 -0.704 1.507 -4.801 710 HG21 ILE 97 HG21 ILE 97 -4.222 1.477 -4.977 711 HG22 ILE 97 HG22 ILE 97 -4.121 1.908 -3.270 712 HG23 ILE 97 HG23 ILE 97 -4.580 3.126 -4.462 713 HD11 ILE 97 HD11 ILE 97 -2.041 1.245 -2.124 714 HD12 ILE 97 HD12 ILE 97 -0.588 0.385 -2.637 715 HD13 ILE 97 HD13 ILE 97 -0.563 2.144 -2.481 716 H GLN 98 H GLN 98 -4.228 3.399 -7.360 717 HA GLN 98 HA GLN 98 -4.600 6.254 -6.808 718 HB2 GLN 98 HB2 GLN 98 -5.452 6.398 -9.138 719 HB3 GLN 98 HB3 GLN 98 -3.758 5.942 -9.056 720 HG2 GLN 98 HG2 GLN 98 -4.763 3.510 -9.140 721 HG3 GLN 98 HG3 GLN 98 -6.121 4.348 -9.891 722 HE21 GLN 98 HE21 GLN 98 -2.791 3.445 -10.182 723 HE22 GLN 98 HE22 GLN 98 -2.630 3.804 -11.869 724 H ASN 99 H ASN 99 -6.886 6.940 -7.253 725 HA ASN 99 HA ASN 99 -8.729 4.853 -6.321 726 HB2 ASN 99 HB2 ASN 99 -8.546 6.587 -4.679 727 HB3 ASN 99 HB3 ASN 99 -8.737 7.843 -5.899 728 HD21 ASN 99 HD21 ASN 99 -10.746 8.374 -6.625 729 HD22 ASN 99 HD22 ASN 99 -12.198 7.775 -5.912 730 H VAL 100 H VAL 100 -10.101 4.147 -7.809 731 HA VAL 100 HA VAL 100 -10.875 5.998 -9.969 732 HB VAL 100 HB VAL 100 -10.905 2.976 -10.056 733 HG11 VAL 100 HG11 VAL 100 -11.258 3.292 -12.466 734 HG12 VAL 100 HG12 VAL 100 -12.567 3.982 -11.507 735 HG13 VAL 100 HG13 VAL 100 -11.343 5.036 -12.216 736 HG21 VAL 100 HG21 VAL 100 -8.975 3.159 -11.552 737 HG22 VAL 100 HG22 VAL 100 -8.936 4.903 -11.289 738 HG23 VAL 100 HG23 VAL 100 -8.615 3.801 -9.949 739 H ASN 101 H ASN 101 -12.684 6.898 -9.094 740 HA ASN 101 HA ASN 101 -14.875 7.123 -8.574 741 HB2 ASN 101 HB2 ASN 101 -14.967 5.431 -10.578 742 HB3 ASN 101 HB3 ASN 101 -15.436 4.282 -9.328 743 HD21 ASN 101 HD21 ASN 101 -16.337 7.075 -11.150 744 HD22 ASN 101 HD22 ASN 101 -18.009 7.117 -10.666 745 H GLY 102 H GLY 102 -12.870 5.830 -6.700 746 HA2 GLY 102 HA3 GLY 102 -13.358 5.705 -4.347 747 HA3 GLY 102 HA2 GLY 102 -14.895 4.966 -4.751 748 H ARG 103 H ARG 103 -12.051 3.859 -6.407 749 HA ARG 103 HA ARG 103 -11.913 1.557 -4.589 750 HB2 ARG 103 HB2 ARG 103 -11.919 -0.009 -6.351 751 HB3 ARG 103 HB3 ARG 103 -13.231 1.100 -6.712 752 HG2 ARG 103 HG2 ARG 103 -11.682 2.295 -8.269 753 HG3 ARG 103 HG3 ARG 103 -10.525 0.990 -8.011 754 HD2 ARG 103 HD2 ARG 103 -11.779 0.570 -10.031 755 HD3 ARG 103 HD3 ARG 103 -12.212 -0.624 -8.807 756 HE ARG 103 HE ARG 103 -14.000 1.542 -8.673 757 HH11 ARG 103 HH12 ARG 103 -13.168 -1.098 -10.824 758 HH12 ARG 103 HH11 ARG 103 -14.795 -1.275 -11.420 759 HH21 ARG 103 HH22 ARG 103 -16.135 1.308 -9.470 760 HH22 ARG 103 HH21 ARG 103 -16.464 0.082 -10.662 761 H LEU 104 H LEU 104 -9.911 0.853 -4.086 762 HA LEU 104 HA LEU 104 -7.673 2.463 -4.933 763 HB2 LEU 104 HB2 LEU 104 -8.236 0.506 -2.821 764 HB3 LEU 104 HB3 LEU 104 -6.603 0.415 -3.454 765 HG LEU 104 HG LEU 104 -6.110 2.639 -2.798 766 HD11 LEU 104 HD11 LEU 104 -9.033 2.974 -2.134 767 HD12 LEU 104 HD12 LEU 104 -7.764 4.171 -1.869 768 HD13 LEU 104 HD13 LEU 104 -8.192 3.690 -3.512 769 HD21 LEU 104 HD21 LEU 104 -7.751 1.326 -0.632 770 HD22 LEU 104 HD22 LEU 104 -6.047 1.031 -0.978 771 HD23 LEU 104 HD23 LEU 104 -6.565 2.608 -0.385 772 H VAL 105 H VAL 105 -6.554 2.107 -6.690 773 HA VAL 105 HA VAL 105 -6.255 -0.661 -7.671 774 HB VAL 105 HB VAL 105 -6.427 1.842 -9.366 775 HG11 VAL 105 HG11 VAL 105 -6.212 -1.062 -10.151 776 HG12 VAL 105 HG12 VAL 105 -6.459 0.286 -11.262 777 HG13 VAL 105 HG13 VAL 105 -4.960 0.166 -10.340 778 HG21 VAL 105 HG21 VAL 105 -8.414 -0.393 -8.971 779 HG22 VAL 105 HG22 VAL 105 -8.602 1.285 -8.461 780 HG23 VAL 105 HG23 VAL 105 -8.549 0.886 -10.178 781 H PHE 106 H PHE 106 -4.223 -1.345 -7.756 782 HA PHE 106 HA PHE 106 -2.062 0.492 -7.202 783 HB2 PHE 106 HB2 PHE 106 -0.733 -1.402 -6.795 784 HB3 PHE 106 HB3 PHE 106 -2.336 -1.892 -6.260 785 HD1 PHE 106 HD1 PHE 106 -3.791 -3.061 -8.165 786 HD2 PHE 106 HD2 PHE 106 0.461 -2.850 -8.100 787 HE1 PHE 106 HE1 PHE 106 -3.672 -5.004 -9.668 788 HE2 PHE 106 HE2 PHE 106 0.583 -4.793 -9.600 789 HZ PHE 106 HZ PHE 106 -1.482 -5.871 -10.387 790 H GLN 107 H GLN 107 -0.316 0.953 -8.555 791 HA GLN 107 HA GLN 107 -0.799 0.427 -11.400 792 HB2 GLN 107 HB2 GLN 107 -0.640 2.799 -10.799 793 HB3 GLN 107 HB3 GLN 107 0.942 2.524 -10.080 794 HG2 GLN 107 HG2 GLN 107 1.773 1.819 -12.304 795 HG3 GLN 107 HG3 GLN 107 0.207 2.249 -12.984 796 HE21 GLN 107 HE21 GLN 107 2.867 3.279 -13.554 797 HE22 GLN 107 HE22 GLN 107 2.781 4.993 -13.285 Start of MODEL 24 1 H MET 1 H MET 1 -3.910 13.519 -9.856 2 HA MET 1 HA MET 1 -2.043 12.294 -8.969 3 HB2 MET 1 HB2 MET 1 -3.452 14.143 -7.691 4 HB3 MET 1 HB3 MET 1 -3.830 12.808 -6.616 5 HG2 MET 1 HG2 MET 1 -1.968 14.122 -5.779 6 HG3 MET 1 HG3 MET 1 -1.454 12.484 -6.160 7 HE1 MET 1 HE1 MET 1 1.726 14.628 -6.981 8 HE2 MET 1 HE2 MET 1 0.578 14.867 -5.666 9 HE3 MET 1 HE3 MET 1 1.107 13.238 -6.091 10 H SER 2 H SER 2 -2.422 11.117 -6.251 11 HA SER 2 HA SER 2 -3.159 8.440 -7.156 12 HB2 SER 2 HB2 SER 2 -1.553 9.222 -4.711 13 HB3 SER 2 HB3 SER 2 -1.759 7.597 -5.371 14 HG SER 2 HG SER 2 -0.213 7.984 -6.732 15 H TYR 3 H TYR 3 -3.863 7.078 -5.035 16 HA TYR 3 HA TYR 3 -6.418 8.053 -4.373 17 HB2 TYR 3 HB2 TYR 3 -6.700 6.094 -3.120 18 HB3 TYR 3 HB3 TYR 3 -5.515 5.625 -4.331 19 HD1 TYR 3 HD2 TYR 3 -3.051 5.594 -3.646 20 HD2 TYR 3 HD1 TYR 3 -6.237 5.896 -0.843 21 HE1 TYR 3 HE2 TYR 3 -1.531 4.883 -1.849 22 HE2 TYR 3 HE1 TYR 3 -4.735 5.196 0.961 23 HH TYR 3 HH TYR 3 -2.628 3.913 1.192 24 H ALA 4 H ALA 4 -3.338 8.166 -2.708 25 HA ALA 4 HA ALA 4 -4.146 9.021 -0.192 26 HB1 ALA 4 HB1 ALA 4 -1.870 9.732 0.151 27 HB2 ALA 4 HB2 ALA 4 -1.898 8.200 -0.721 28 HB3 ALA 4 HB3 ALA 4 -1.570 9.703 -1.586 29 H ASP 5 H ASP 5 -3.926 10.800 -3.148 30 HA ASP 5 HA ASP 5 -3.612 13.397 -2.188 31 HB2 ASP 5 HB2 ASP 5 -3.541 12.841 -4.573 32 HB3 ASP 5 HB3 ASP 5 -5.255 12.441 -4.543 33 H SER 6 H SER 6 -6.396 11.300 -2.296 34 HA SER 6 HA SER 6 -7.879 13.275 -0.696 35 HB2 SER 6 HB2 SER 6 -9.101 11.583 -2.890 36 HB3 SER 6 HB3 SER 6 -9.936 12.777 -1.897 37 HG SER 6 HG SER 6 -8.356 14.322 -2.820 38 H SER 7 H SER 7 -6.383 11.010 0.274 39 HA SER 7 HA SER 7 -8.591 9.265 1.161 40 HB2 SER 7 HB2 SER 7 -7.032 7.447 1.390 41 HB3 SER 7 HB3 SER 7 -6.843 8.132 -0.225 42 HG SER 7 HG SER 7 -5.228 9.291 1.670 43 H ARG 8 H ARG 8 -8.499 8.441 3.301 44 HA ARG 8 HA ARG 8 -6.700 9.695 5.210 45 HB2 ARG 8 HB2 ARG 8 -8.374 10.653 6.588 46 HB3 ARG 8 HB3 ARG 8 -8.755 11.199 4.962 47 HG2 ARG 8 HG2 ARG 8 -10.172 8.825 5.252 48 HG3 ARG 8 HG3 ARG 8 -10.341 9.649 6.803 49 HD2 ARG 8 HD2 ARG 8 -12.128 10.281 5.267 50 HD3 ARG 8 HD3 ARG 8 -11.103 11.664 5.661 51 HE ARG 8 HE ARG 8 -10.909 10.133 3.145 52 HH11 ARG 8 HH12 ARG 8 -10.763 13.134 4.950 53 HH12 ARG 8 HH11 ARG 8 -10.381 14.100 3.554 54 HH21 ARG 8 HH22 ARG 8 -10.373 11.429 1.304 55 HH22 ARG 8 HH21 ARG 8 -10.131 13.137 1.509 56 H ASN 9 H ASN 9 -7.171 8.730 7.442 57 HA ASN 9 HA ASN 9 -7.114 6.858 8.720 58 HB2 ASN 9 HB2 ASN 9 -9.669 6.484 7.159 59 HB3 ASN 9 HB3 ASN 9 -9.186 5.375 8.445 60 HD21 ASN 9 HD21 ASN 9 -11.485 7.164 8.268 61 HD22 ASN 9 HD22 ASN 9 -11.379 8.212 9.650 62 H ALA 10 H ALA 10 -5.579 6.794 6.351 63 HA ALA 10 HA ALA 10 -5.820 4.159 5.204 64 HB1 ALA 10 HB1 ALA 10 -3.651 6.206 4.786 65 HB2 ALA 10 HB2 ALA 10 -4.005 4.805 3.775 66 HB3 ALA 10 HB3 ALA 10 -5.154 6.140 3.866 67 H VAL 11 H VAL 11 -5.099 2.453 6.212 68 HA VAL 11 HA VAL 11 -2.436 2.470 7.383 69 HB VAL 11 HB VAL 11 -2.981 1.488 9.459 70 HG11 VAL 11 HG11 VAL 11 -3.169 3.856 9.558 71 HG12 VAL 11 HG12 VAL 11 -4.848 3.796 9.014 72 HG13 VAL 11 HG13 VAL 11 -4.407 3.140 10.592 73 HG21 VAL 11 HG21 VAL 11 -5.818 1.302 8.485 74 HG22 VAL 11 HG22 VAL 11 -4.694 -0.018 8.835 75 HG23 VAL 11 HG23 VAL 11 -5.317 0.988 10.148 76 H LEU 12 H LEU 12 -2.069 0.114 8.239 77 HA LEU 12 HA LEU 12 -2.922 -1.648 6.060 78 HB2 LEU 12 HB2 LEU 12 -0.433 -1.081 7.295 79 HB3 LEU 12 HB3 LEU 12 -0.840 -2.753 7.621 80 HG LEU 12 HG LEU 12 -0.898 -3.303 5.312 81 HD11 LEU 12 HD11 LEU 12 -0.615 -1.599 3.548 82 HD12 LEU 12 HD12 LEU 12 -2.109 -1.395 4.461 83 HD13 LEU 12 HD13 LEU 12 -0.731 -0.339 4.777 84 HD21 LEU 12 HD21 LEU 12 1.383 -1.420 5.875 85 HD22 LEU 12 HD22 LEU 12 1.331 -3.154 6.194 86 HD23 LEU 12 HD23 LEU 12 1.331 -2.565 4.532 87 H THR 13 H THR 13 -3.872 -3.566 6.491 88 HA THR 13 HA THR 13 -4.467 -4.200 9.298 89 HB THR 13 HB THR 13 -6.321 -4.560 6.925 90 HG1 THR 13 HG1 THR 13 -5.798 -2.381 8.504 91 HG21 THR 13 HG21 THR 13 -8.040 -4.967 8.615 92 HG22 THR 13 HG22 THR 13 -6.844 -4.767 9.896 93 HG23 THR 13 HG23 THR 13 -6.721 -6.127 8.781 94 H ASN 14 H ASN 14 -4.991 -6.501 9.628 95 HA ASN 14 HA ASN 14 -4.749 -8.750 9.334 96 HB2 ASN 14 HB2 ASN 14 -5.321 -7.971 6.834 97 HB3 ASN 14 HB3 ASN 14 -3.663 -8.506 6.578 98 HD21 ASN 14 HD21 ASN 14 -6.028 -9.686 5.486 99 HD22 ASN 14 HD22 ASN 14 -6.082 -11.322 6.061 100 H GLY 15 H GLY 15 -2.474 -6.554 9.551 101 HA2 GLY 15 HA3 GLY 15 -0.357 -6.954 10.537 102 HA3 GLY 15 HA2 GLY 15 -0.338 -8.544 9.782 103 H GLY 16 H GLY 16 -1.339 -5.877 7.881 104 HA2 GLY 16 HA3 GLY 16 -0.014 -4.491 6.471 105 HA3 GLY 16 HA2 GLY 16 1.330 -5.596 6.704 106 H ARG 17 H ARG 17 -1.776 -6.921 6.074 107 HA ARG 17 HA ARG 17 -0.830 -7.758 3.426 108 HB2 ARG 17 HB2 ARG 17 -3.166 -9.000 4.838 109 HB3 ARG 17 HB3 ARG 17 -2.099 -9.707 3.637 110 HG2 ARG 17 HG2 ARG 17 -0.273 -9.587 5.395 111 HG3 ARG 17 HG3 ARG 17 -1.552 -9.221 6.545 112 HD2 ARG 17 HD2 ARG 17 -1.027 -11.603 6.541 113 HD3 ARG 17 HD3 ARG 17 -2.679 -11.303 5.998 114 HE ARG 17 HE ARG 17 -0.844 -11.471 3.817 115 HH11 ARG 17 HH12 ARG 17 -2.624 -13.426 6.116 116 HH12 ARG 17 HH11 ARG 17 -2.774 -14.783 5.036 117 HH21 ARG 17 HH22 ARG 17 -1.013 -13.256 2.410 118 HH22 ARG 17 HH21 ARG 17 -1.826 -14.696 2.931 119 H THR 18 H THR 18 -3.167 -5.849 5.016 120 HA THR 18 HA THR 18 -4.618 -5.530 2.478 121 HB THR 18 HB THR 18 -5.843 -5.414 5.241 122 HG1 THR 18 HG1 THR 18 -6.211 -7.396 3.204 123 HG21 THR 18 HG21 THR 18 -6.965 -3.945 3.665 124 HG22 THR 18 HG22 THR 18 -7.979 -5.349 4.012 125 HG23 THR 18 HG23 THR 18 -7.087 -5.260 2.493 126 H LEU 19 H LEU 19 -4.609 -3.536 1.729 127 HA LEU 19 HA LEU 19 -3.771 -1.348 3.469 128 HB2 LEU 19 HB2 LEU 19 -2.580 -1.520 1.393 129 HB3 LEU 19 HB3 LEU 19 -4.074 -1.608 0.482 130 HG LEU 19 HG LEU 19 -4.567 0.737 1.105 131 HD11 LEU 19 HD11 LEU 19 -2.804 2.109 2.093 132 HD12 LEU 19 HD12 LEU 19 -3.330 0.839 3.198 133 HD13 LEU 19 HD13 LEU 19 -1.810 0.670 2.319 134 HD21 LEU 19 HD21 LEU 19 -2.859 1.731 -0.349 135 HD22 LEU 19 HD22 LEU 19 -1.905 0.252 -0.222 136 HD23 LEU 19 HD23 LEU 19 -3.487 0.217 -1.002 137 H ARG 20 H ARG 20 -5.416 -0.479 4.554 138 HA ARG 20 HA ARG 20 -7.978 -0.107 3.159 139 HB2 ARG 20 HB2 ARG 20 -7.728 -1.384 5.414 140 HB3 ARG 20 HB3 ARG 20 -7.543 0.211 6.122 141 HG2 ARG 20 HG2 ARG 20 -9.931 -0.667 4.512 142 HG3 ARG 20 HG3 ARG 20 -9.834 -0.723 6.269 143 HD2 ARG 20 HD2 ARG 20 -9.699 1.731 4.524 144 HD3 ARG 20 HD3 ARG 20 -11.029 1.257 5.576 145 HE ARG 20 HE ARG 20 -8.508 2.467 6.367 146 HH11 ARG 20 HH12 ARG 20 -11.394 0.773 7.422 147 HH12 ARG 20 HH11 ARG 20 -11.332 1.429 9.036 148 HH21 ARG 20 HH22 ARG 20 -8.435 3.328 8.483 149 HH22 ARG 20 HH21 ARG 20 -9.648 2.860 9.639 150 H ALA 21 H ALA 21 -8.490 1.875 2.520 151 HA ALA 21 HA ALA 21 -7.649 4.196 4.056 152 HB1 ALA 21 HB1 ALA 21 -6.957 3.928 1.132 153 HB2 ALA 21 HB2 ALA 21 -6.659 5.330 2.158 154 HB3 ALA 21 HB3 ALA 21 -5.806 3.818 2.464 155 H GLU 22 H GLU 22 -9.127 5.832 3.942 156 HA GLU 22 HA GLU 22 -11.492 5.284 2.302 157 HB2 GLU 22 HB2 GLU 22 -11.259 7.479 4.348 158 HB3 GLU 22 HB3 GLU 22 -12.709 6.672 3.762 159 HG2 GLU 22 HG2 GLU 22 -11.675 4.559 4.830 160 HG3 GLU 22 HG3 GLU 22 -10.666 5.710 5.715 161 H CYS 23 H CYS 23 -11.420 6.152 0.341 162 HA CYS 23 HA CYS 23 -10.281 8.856 0.068 163 HB2 CYS 23 HB2 CYS 23 -8.987 6.973 -1.029 164 HB3 CYS 23 HB3 CYS 23 -10.370 6.745 -2.090 165 HG CYS 23 HG CYS 23 -7.934 9.011 -2.234 166 H ARG 24 H ARG 24 -11.397 10.314 -1.163 167 HA ARG 24 HA ARG 24 -14.208 9.922 -1.339 168 HB2 ARG 24 HB2 ARG 24 -14.132 12.141 -1.121 169 HB3 ARG 24 HB3 ARG 24 -12.392 12.131 -1.362 170 HG2 ARG 24 HG2 ARG 24 -14.277 12.081 -3.688 171 HG3 ARG 24 HG3 ARG 24 -13.844 13.591 -2.886 172 HD2 ARG 24 HD2 ARG 24 -11.677 13.518 -3.617 173 HD3 ARG 24 HD3 ARG 24 -11.650 11.755 -3.697 174 HE ARG 24 HE ARG 24 -13.311 12.229 -5.665 175 HH11 ARG 24 HH12 ARG 24 -10.421 14.025 -4.813 176 HH12 ARG 24 HH11 ARG 24 -10.044 14.453 -6.450 177 HH21 ARG 24 HH22 ARG 24 -12.811 12.810 -7.833 178 HH22 ARG 24 HH21 ARG 24 -11.407 13.778 -8.162 179 H ASN 25 H ASN 25 -15.496 9.725 -3.157 180 HA ASN 25 HA ASN 25 -14.182 8.461 -5.408 181 HB2 ASN 25 HB2 ASN 25 -16.328 7.699 -6.070 182 HB3 ASN 25 HB3 ASN 25 -16.273 7.582 -4.322 183 HD21 ASN 25 HD21 ASN 25 -18.557 7.726 -6.110 184 HD22 ASN 25 HD22 ASN 25 -19.480 9.099 -5.601 185 H ALA 26 H ALA 26 -15.705 9.000 -7.552 186 HA ALA 26 HA ALA 26 -14.660 11.433 -8.482 187 HB1 ALA 26 HB1 ALA 26 -16.917 9.816 -9.649 188 HB2 ALA 26 HB2 ALA 26 -15.929 11.006 -10.497 189 HB3 ALA 26 HB3 ALA 26 -15.198 9.512 -9.910 190 H ASP 27 H ASP 27 -17.569 10.755 -6.756 191 HA ASP 27 HA ASP 27 -18.902 13.187 -7.606 192 HB2 ASP 27 HB2 ASP 27 -20.094 11.017 -7.034 193 HB3 ASP 27 HB3 ASP 27 -19.713 11.354 -5.351 194 H GLY 28 H GLY 28 -16.772 12.163 -5.106 195 HA2 GLY 28 HA3 GLY 28 -15.594 13.856 -3.851 196 HA3 GLY 28 HA2 GLY 28 -17.074 14.802 -3.827 197 H ASN 29 H ASN 29 -17.889 11.634 -3.309 198 HA ASN 29 HA ASN 29 -18.288 12.124 -0.461 199 HB2 ASN 29 HB2 ASN 29 -20.002 11.053 -2.105 200 HB3 ASN 29 HB3 ASN 29 -19.025 9.606 -1.914 201 HD21 ASN 29 HD21 ASN 29 -19.014 8.504 0.027 202 HD22 ASN 29 HD22 ASN 29 -20.171 8.820 1.275 203 H TRP 30 H TRP 30 -17.456 10.807 1.161 204 HA TRP 30 HA TRP 30 -14.885 9.662 0.603 205 HB2 TRP 30 HB2 TRP 30 -16.518 9.843 3.132 206 HB3 TRP 30 HB3 TRP 30 -14.932 9.082 3.062 207 HD1 TRP 30 HD1 TRP 30 -14.223 11.651 0.826 208 HE1 TRP 30 HE1 TRP 30 -13.346 13.793 1.954 209 HE3 TRP 30 HE3 TRP 30 -15.772 10.735 5.609 210 HZ2 TRP 30 HZ2 TRP 30 -13.311 14.929 4.529 211 HZ3 TRP 30 HZ3 TRP 30 -15.276 12.404 7.348 212 HH2 TRP 30 HH2 TRP 30 -14.071 14.458 6.816 213 H VAL 31 H VAL 31 -14.418 7.639 0.141 214 HA VAL 31 HA VAL 31 -16.434 5.565 0.700 215 HB VAL 31 HB VAL 31 -14.534 5.514 -1.638 216 HG11 VAL 31 HG11 VAL 31 -15.419 3.367 -0.968 217 HG12 VAL 31 HG12 VAL 31 -17.065 3.998 -1.045 218 HG13 VAL 31 HG13 VAL 31 -16.107 3.856 -2.518 219 HG21 VAL 31 HG21 VAL 31 -17.380 6.504 -1.638 220 HG22 VAL 31 HG22 VAL 31 -15.933 7.481 -1.902 221 HG23 VAL 31 HG23 VAL 31 -16.384 6.234 -3.068 222 H THR 32 H THR 32 -15.686 3.870 1.858 223 HA THR 32 HA THR 32 -12.912 3.804 2.626 224 HB THR 32 HB THR 32 -15.032 1.737 3.239 225 HG1 THR 32 HG1 THR 32 -14.387 4.083 4.763 226 HG21 THR 32 HG21 THR 32 -12.517 2.577 4.684 227 HG22 THR 32 HG22 THR 32 -12.737 1.091 3.761 228 HG23 THR 32 HG23 THR 32 -13.658 1.355 5.243 229 H SER 33 H SER 33 -11.484 3.023 1.186 230 HA SER 33 HA SER 33 -12.303 0.744 -0.483 231 HB2 SER 33 HB2 SER 33 -9.926 2.508 -1.029 232 HB3 SER 33 HB3 SER 33 -10.835 1.503 -2.155 233 HG SER 33 HG SER 33 -12.436 2.978 -2.218 234 H GLU 34 H GLU 34 -11.107 -1.100 -0.492 235 HA GLU 34 HA GLU 34 -8.693 -1.149 1.184 236 HB2 GLU 34 HB2 GLU 34 -10.580 -3.477 1.154 237 HB3 GLU 34 HB3 GLU 34 -9.371 -3.044 2.355 238 HG2 GLU 34 HG2 GLU 34 -10.801 -1.092 2.968 239 HG3 GLU 34 HG3 GLU 34 -12.037 -1.735 1.894 240 H LEU 35 H LEU 35 -7.022 -2.129 0.262 241 HA LEU 35 HA LEU 35 -7.514 -3.975 -1.984 242 HB2 LEU 35 HB2 LEU 35 -6.596 -1.533 -2.492 243 HB3 LEU 35 HB3 LEU 35 -5.079 -2.232 -1.970 244 HG LEU 35 HG LEU 35 -6.754 -3.037 -4.344 245 HD11 LEU 35 HD11 LEU 35 -5.332 -1.117 -4.689 246 HD12 LEU 35 HD12 LEU 35 -3.942 -2.004 -4.066 247 HD13 LEU 35 HD13 LEU 35 -4.701 -2.502 -5.578 248 HD21 LEU 35 HD21 LEU 35 -5.940 -5.086 -3.299 249 HD22 LEU 35 HD22 LEU 35 -5.090 -4.772 -4.812 250 HD23 LEU 35 HD23 LEU 35 -4.304 -4.434 -3.270 251 H ASP 36 H ASP 36 -6.779 -5.876 -1.467 252 HA ASP 36 HA ASP 36 -5.106 -6.320 0.765 253 HB2 ASP 36 HB2 ASP 36 -6.173 -8.062 -1.442 254 HB3 ASP 36 HB3 ASP 36 -5.066 -8.684 -0.235 255 H LEU 37 H LEU 37 -3.065 -5.717 0.752 256 HA LEU 37 HA LEU 37 -1.476 -5.254 -1.509 257 HB2 LEU 37 HB2 LEU 37 -0.675 -5.898 1.318 258 HB3 LEU 37 HB3 LEU 37 0.410 -5.283 0.080 259 HG LEU 37 HG LEU 37 -1.857 -3.886 1.422 260 HD11 LEU 37 HD11 LEU 37 1.054 -3.327 1.067 261 HD12 LEU 37 HD12 LEU 37 -0.089 -2.304 1.944 262 HD13 LEU 37 HD13 LEU 37 0.267 -3.934 2.522 263 HD21 LEU 37 HD21 LEU 37 -2.082 -3.444 -0.950 264 HD22 LEU 37 HD22 LEU 37 -1.477 -2.014 -0.112 265 HD23 LEU 37 HD23 LEU 37 -0.371 -3.019 -1.052 266 H ASP 38 H ASP 38 -1.818 -7.970 0.642 267 HA ASP 38 HA ASP 38 0.292 -9.541 -0.362 268 HB2 ASP 38 HB2 ASP 38 -0.515 -11.292 0.931 269 HB3 ASP 38 HB3 ASP 38 -1.109 -9.878 1.795 270 H THR 39 H THR 39 -2.407 -8.508 -1.956 271 HA THR 39 HA THR 39 -2.524 -10.963 -3.574 272 HB THR 39 HB THR 39 -4.648 -9.761 -2.530 273 HG1 THR 39 HG1 THR 39 -4.508 -11.704 -3.902 274 HG21 THR 39 HG21 THR 39 -5.814 -8.416 -4.214 275 HG22 THR 39 HG22 THR 39 -4.381 -8.462 -5.239 276 HG23 THR 39 HG23 THR 39 -4.324 -7.634 -3.683 277 H ILE 40 H ILE 40 -1.279 -7.799 -3.607 278 HA ILE 40 HA ILE 40 -0.631 -8.116 -6.447 279 HB ILE 40 HB ILE 40 -1.009 -5.636 -6.799 280 HG12 ILE 40 HG13 ILE 40 -3.036 -4.891 -5.266 281 HG13 ILE 40 3HG1 ILE 40 -2.285 -5.996 -4.123 282 HG21 ILE 40 HG21 ILE 40 -2.430 -7.304 -7.813 283 HG22 ILE 40 HG22 ILE 40 -3.394 -7.416 -6.342 284 HG23 ILE 40 HG23 ILE 40 -3.399 -5.928 -7.287 285 HD11 ILE 40 HD11 ILE 40 -0.224 -4.724 -4.226 286 HD12 ILE 40 HD12 ILE 40 -0.945 -3.632 -5.411 287 HD13 ILE 40 HD13 ILE 40 -1.583 -3.698 -3.768 288 H ILE 41 H ILE 41 0.668 -7.981 -3.595 289 HA ILE 41 HA ILE 41 2.950 -6.344 -4.496 290 HB ILE 41 HB ILE 41 1.907 -6.544 -1.666 291 HG12 ILE 41 HG13 ILE 41 1.767 -4.467 -3.791 292 HG13 ILE 41 3HG1 ILE 41 0.595 -4.890 -2.551 293 HG21 ILE 41 HG21 ILE 41 4.364 -5.127 -2.684 294 HG22 ILE 41 HG22 ILE 41 3.725 -5.044 -1.041 295 HG23 ILE 41 HG23 ILE 41 4.338 -6.573 -1.673 296 HD11 ILE 41 HD11 ILE 41 3.131 -3.343 -2.104 297 HD12 ILE 41 HD12 ILE 41 1.505 -2.660 -2.206 298 HD13 ILE 41 HD13 ILE 41 1.928 -3.742 -0.878 299 H GLY 42 H GLY 42 4.860 -7.405 -4.466 300 HA2 GLY 42 HA3 GLY 42 4.936 -9.954 -2.974 301 HA3 GLY 42 HA2 GLY 42 5.499 -9.855 -4.632 302 H ASN 43 H ASN 43 7.019 -10.729 -2.401 303 HA ASN 43 HA ASN 43 9.023 -8.588 -2.187 304 HB2 ASN 43 HB2 ASN 43 8.366 -9.204 0.021 305 HB3 ASN 43 HB3 ASN 43 8.415 -10.919 -0.362 306 HD21 ASN 43 HD21 ASN 43 9.788 -11.325 1.374 307 HD22 ASN 43 HD22 ASN 43 11.474 -10.903 1.331 308 H ASN 44 H ASN 44 10.483 -8.823 -3.698 309 HA ASN 44 HA ASN 44 11.286 -11.530 -4.504 310 HB2 ASN 44 HB2 ASN 44 10.572 -9.900 -6.268 311 HB3 ASN 44 HB3 ASN 44 11.956 -8.899 -5.840 312 HD21 ASN 44 HD21 ASN 44 14.032 -9.609 -6.353 313 HD22 ASN 44 HD22 ASN 44 14.313 -10.880 -7.500 314 H ASP 45 H ASP 45 12.494 -11.890 -2.605 315 HA ASP 45 HA ASP 45 14.345 -11.951 -1.289 316 HB2 ASP 45 HB2 ASP 45 15.386 -11.525 -4.044 317 HB3 ASP 45 HB3 ASP 45 16.524 -11.375 -2.709 318 H GLY 46 H GLY 46 13.192 -9.796 -0.460 319 HA2 GLY 46 HA3 GLY 46 13.773 -7.910 0.753 320 HA3 GLY 46 HA2 GLY 46 15.409 -8.060 0.130 321 H HIS 47 H HIS 47 12.498 -7.850 -1.843 322 HA HIS 47 HA HIS 47 12.895 -5.032 -2.392 323 HB2 HIS 47 HB2 HIS 47 14.539 -6.132 -3.890 324 HB3 HIS 47 HB3 HIS 47 13.233 -7.069 -4.609 325 HD1 HIS 47 HD1 HIS 47 12.159 -6.059 -6.621 326 HD2 HIS 47 HD2 HIS 47 14.181 -3.237 -4.328 327 HE1 HIS 47 HE1 HIS 47 12.024 -3.909 -7.914 328 HE2 HIS 47 HE2 HIS 47 13.439 -2.281 -6.615 329 H PHE 48 H PHE 48 10.919 -4.177 -2.503 330 HA PHE 48 HA PHE 48 8.566 -5.732 -2.702 331 HB2 PHE 48 HB2 PHE 48 9.075 -2.771 -2.867 332 HB3 PHE 48 HB3 PHE 48 7.464 -3.441 -3.101 333 HD1 PHE 48 HD1 PHE 48 6.750 -5.155 -1.191 334 HD2 PHE 48 HD2 PHE 48 9.641 -2.066 -0.778 335 HE1 PHE 48 HE1 PHE 48 6.403 -5.164 1.241 336 HE2 PHE 48 HE2 PHE 48 9.304 -2.075 1.660 337 HZ PHE 48 HZ PHE 48 7.679 -3.623 2.672 338 H GLN 49 H GLN 49 7.236 -6.184 -4.339 339 HA GLN 49 HA GLN 49 7.914 -5.173 -7.007 340 HB2 GLN 49 HB2 GLN 49 8.777 -7.319 -7.163 341 HB3 GLN 49 HB3 GLN 49 7.581 -7.992 -6.065 342 HG2 GLN 49 HG2 GLN 49 5.879 -7.852 -7.773 343 HG3 GLN 49 HG3 GLN 49 7.008 -7.073 -8.876 344 HE21 GLN 49 HE21 GLN 49 8.618 -8.294 -9.843 345 HE22 GLN 49 HE22 GLN 49 8.566 -10.028 -9.866 346 H TRP 50 H TRP 50 6.242 -4.058 -7.751 347 HA TRP 50 HA TRP 50 3.601 -4.385 -6.717 348 HB2 TRP 50 HB2 TRP 50 4.739 -2.819 -9.037 349 HB3 TRP 50 HB3 TRP 50 3.002 -2.891 -8.745 350 HD1 TRP 50 HD1 TRP 50 5.968 -0.888 -7.852 351 HE1 TRP 50 HE1 TRP 50 5.422 0.710 -5.897 352 HE3 TRP 50 HE3 TRP 50 1.536 -2.938 -6.337 353 HZ2 TRP 50 HZ2 TRP 50 3.390 1.044 -3.981 354 HZ3 TRP 50 HZ3 TRP 50 0.355 -1.923 -4.436 355 HH2 TRP 50 HH2 TRP 50 1.264 0.028 -3.284 356 H GLY 51 H GLY 51 2.380 -6.057 -7.149 357 HA2 GLY 51 HA3 GLY 51 1.033 -7.328 -8.642 358 HA3 GLY 51 HA2 GLY 51 2.236 -7.080 -9.901 359 H GLY 52 H GLY 52 3.117 -8.024 -6.647 360 HA2 GLY 52 HA3 GLY 52 4.177 -10.521 -7.744 361 HA3 GLY 52 HA2 GLY 52 4.661 -9.773 -6.232 362 H GLN 53 H GLN 53 2.416 -9.472 -4.828 363 HA GLN 53 HA GLN 53 0.774 -10.452 -3.609 364 HB2 GLN 53 HB2 GLN 53 -0.500 -11.274 -5.330 365 HB3 GLN 53 HB3 GLN 53 0.797 -12.274 -5.965 366 HG2 GLN 53 HG2 GLN 53 0.485 -13.762 -3.969 367 HG3 GLN 53 HG3 GLN 53 -0.949 -12.813 -3.581 368 HE21 GLN 53 HE21 GLN 53 0.059 -13.540 -6.842 369 HE22 GLN 53 HE22 GLN 53 -1.249 -14.610 -7.216 370 H ASN 54 H ASN 54 0.710 -11.711 -1.840 371 HA ASN 54 HA ASN 54 1.411 -12.994 -0.129 372 HB2 ASN 54 HB2 ASN 54 2.555 -14.557 -2.409 373 HB3 ASN 54 HB3 ASN 54 2.957 -15.001 -0.753 374 HD21 ASN 54 HD21 ASN 54 1.885 -16.891 -0.650 375 HD22 ASN 54 HD22 ASN 54 0.155 -17.036 -0.764 376 H PHE 55 H PHE 55 2.818 -10.646 -0.634 377 HA PHE 55 HA PHE 55 5.631 -11.189 -0.325 378 HB2 PHE 55 HB2 PHE 55 5.960 -8.882 -0.443 379 HB3 PHE 55 HB3 PHE 55 4.490 -9.081 -1.381 380 HD1 PHE 55 HD2 PHE 55 2.273 -8.574 -0.274 381 HD2 PHE 55 HD1 PHE 55 6.022 -7.490 1.431 382 HE1 PHE 55 HE2 PHE 55 1.148 -6.903 1.139 383 HE2 PHE 55 HE1 PHE 55 4.902 -5.817 2.842 384 HZ PHE 55 HZ PHE 55 2.465 -5.521 2.698 385 H THR 56 H THR 56 2.876 -10.676 1.656 386 HA THR 56 HA THR 56 4.122 -9.951 4.067 387 HB THR 56 HB THR 56 1.980 -10.771 5.095 388 HG1 THR 56 HG1 THR 56 1.221 -12.346 3.806 389 HG21 THR 56 HG21 THR 56 1.850 -8.914 2.724 390 HG22 THR 56 HG22 THR 56 2.133 -8.479 4.410 391 HG23 THR 56 HG23 THR 56 0.558 -9.091 3.906 392 H GLU 57 H GLU 57 3.734 -13.008 2.459 393 HA GLU 57 HA GLU 57 4.098 -14.626 4.780 394 HB2 GLU 57 HB2 GLU 57 4.123 -16.480 3.345 395 HB3 GLU 57 HB3 GLU 57 3.066 -15.329 2.536 396 HG2 GLU 57 HG2 GLU 57 4.668 -14.827 0.921 397 HG3 GLU 57 HG3 GLU 57 5.964 -15.555 1.866 398 H THR 58 H THR 58 6.165 -12.679 2.982 399 HA THR 58 HA THR 58 8.509 -14.006 4.165 400 HB THR 58 HB THR 58 9.837 -13.387 2.186 401 HG1 THR 58 HG1 THR 58 7.546 -12.862 0.678 402 HG21 THR 58 HG21 THR 58 9.070 -15.081 0.717 403 HG22 THR 58 HG22 THR 58 7.399 -14.867 1.231 404 HG23 THR 58 HG23 THR 58 8.569 -15.596 2.331 405 H ALA 59 H ALA 59 6.640 -11.614 4.668 406 HA ALA 59 HA ALA 59 8.781 -9.655 5.100 407 HB1 ALA 59 HB1 ALA 59 5.943 -9.004 4.310 408 HB2 ALA 59 HB2 ALA 59 7.218 -7.840 4.672 409 HB3 ALA 59 HB3 ALA 59 7.359 -8.892 3.263 410 H GLU 60 H GLU 60 8.734 -8.516 6.959 411 HA GLU 60 HA GLU 60 6.671 -9.149 8.950 412 HB2 GLU 60 HB2 GLU 60 9.055 -8.917 10.389 413 HB3 GLU 60 HB3 GLU 60 8.138 -10.387 10.114 414 HG2 GLU 60 HG2 GLU 60 9.472 -10.960 8.224 415 HG3 GLU 60 HG3 GLU 60 10.274 -9.391 8.241 416 H ASP 61 H ASP 61 7.063 -7.643 10.928 417 HA ASP 61 HA ASP 61 6.813 -5.480 11.664 418 HB2 ASP 61 HB2 ASP 61 9.451 -6.015 11.179 419 HB3 ASP 61 HB3 ASP 61 9.208 -4.562 10.226 420 H ILE 62 H ILE 62 5.129 -5.685 9.682 421 HA ILE 62 HA ILE 62 5.684 -3.733 7.613 422 HB ILE 62 HB ILE 62 3.058 -5.149 7.950 423 HG12 ILE 62 HG13 ILE 62 5.665 -6.271 6.918 424 HG13 ILE 62 3HG1 ILE 62 4.614 -6.939 8.159 425 HG21 ILE 62 HG21 ILE 62 3.044 -4.999 5.506 426 HG22 ILE 62 HG22 ILE 62 3.235 -3.412 6.249 427 HG23 ILE 62 HG23 ILE 62 4.630 -4.228 5.543 428 HD11 ILE 62 HD11 ILE 62 2.909 -7.384 6.445 429 HD12 ILE 62 HD12 ILE 62 4.026 -6.790 5.214 430 HD13 ILE 62 HD13 ILE 62 4.428 -8.234 6.146 431 H ARG 63 H ARG 63 5.383 -1.672 8.025 432 HA ARG 63 HA ARG 63 2.954 -0.829 9.456 433 HB2 ARG 63 HB2 ARG 63 4.450 1.146 10.260 434 HB3 ARG 63 HB3 ARG 63 4.532 -0.391 11.109 435 HG2 ARG 63 HG2 ARG 63 6.428 -0.430 8.987 436 HG3 ARG 63 HG3 ARG 63 6.633 1.060 9.915 437 HD2 ARG 63 HD2 ARG 63 7.932 -0.993 10.687 438 HD3 ARG 63 HD3 ARG 63 7.019 -0.109 11.914 439 HE ARG 63 HE ARG 63 5.894 -2.497 10.619 440 HH11 ARG 63 HH12 ARG 63 6.914 -0.790 13.500 441 HH12 ARG 63 HH11 ARG 63 6.273 -1.984 14.587 442 HH21 ARG 63 HH22 ARG 63 5.022 -4.059 12.050 443 HH22 ARG 63 HH21 ARG 63 5.200 -3.838 13.759 444 H PHE 64 H PHE 64 1.755 0.551 8.301 445 HA PHE 64 HA PHE 64 2.912 1.604 5.839 446 HB2 PHE 64 HB2 PHE 64 0.821 0.450 5.592 447 HB3 PHE 64 HB3 PHE 64 0.070 1.442 6.840 448 HD1 PHE 64 HD2 PHE 64 2.147 2.296 3.860 449 HD2 PHE 64 HD1 PHE 64 -1.556 2.733 5.904 450 HE1 PHE 64 HE2 PHE 64 1.414 3.929 2.177 451 HE2 PHE 64 HE1 PHE 64 -2.289 4.370 4.226 452 HZ PHE 64 HZ PHE 64 -0.808 4.960 2.352 453 H HIS 65 H HIS 65 3.320 3.637 5.410 454 HA HIS 65 HA HIS 65 2.477 5.699 7.358 455 HB2 HIS 65 HB2 HIS 65 4.986 5.186 7.215 456 HB3 HIS 65 HB3 HIS 65 4.935 5.873 5.597 457 HD1 HIS 65 HD1 HIS 65 6.649 7.685 6.554 458 HD2 HIS 65 HD2 HIS 65 2.827 7.792 8.187 459 HE1 HIS 65 HE1 HIS 65 6.485 9.882 7.747 460 HE2 HIS 65 HE2 HIS 65 4.251 9.833 8.902 461 HA PRO 66 HA PRO 66 0.111 6.475 3.489 462 HB2 PRO 66 HB2 PRO 66 -1.626 8.157 4.829 463 HB3 PRO 66 HB3 PRO 66 -1.855 6.434 4.582 464 HG2 PRO 66 HG2 PRO 66 -0.831 7.878 6.966 465 HG3 PRO 66 HG3 PRO 66 -1.878 6.448 6.879 466 HD2 PRO 66 HD2 PRO 66 0.733 6.258 7.492 467 HD3 PRO 66 HD3 PRO 66 -0.087 5.009 6.530 468 H LYS 67 H LYS 67 0.932 8.860 5.867 469 HA LYS 67 HA LYS 67 1.445 10.736 3.667 470 HB2 LYS 67 HB2 LYS 67 0.292 11.433 6.372 471 HB3 LYS 67 HB3 LYS 67 0.716 12.588 5.113 472 HG2 LYS 67 HG2 LYS 67 -1.388 12.398 4.419 473 HG3 LYS 67 HG3 LYS 67 -0.934 10.806 3.810 474 HD2 LYS 67 HD2 LYS 67 -2.883 10.508 5.124 475 HD3 LYS 67 HD3 LYS 67 -1.530 9.887 6.071 476 HE2 LYS 67 HE2 LYS 67 -3.018 11.212 7.472 477 HE3 LYS 67 HE3 LYS 67 -1.445 11.997 7.320 478 HZ1 LYS 67 HZ1 LYS 67 -2.397 13.454 5.612 479 HZ2 LYS 67 HZ2 LYS 67 -3.215 13.606 7.091 480 HZ3 LYS 67 HZ3 LYS 67 -3.915 12.719 5.825 481 H GLU 68 H GLU 68 3.582 10.175 3.627 482 HA GLU 68 HA GLU 68 5.314 10.331 5.854 483 HB2 GLU 68 HB2 GLU 68 6.029 9.055 3.983 484 HB3 GLU 68 HB3 GLU 68 5.793 10.403 2.879 485 HG2 GLU 68 HG2 GLU 68 7.656 11.578 3.831 486 HG3 GLU 68 HG3 GLU 68 7.847 10.339 5.076 487 H GLY 69 H GLY 69 5.499 12.128 6.986 488 HA2 GLY 69 HA3 GLY 69 5.927 14.289 7.576 489 HA3 GLY 69 HA2 GLY 69 6.946 14.332 6.147 490 H ALA 70 H ALA 70 6.443 16.495 5.818 491 HA ALA 70 HA ALA 70 3.756 17.412 5.445 492 HB1 ALA 70 HB1 ALA 70 4.793 19.490 4.687 493 HB2 ALA 70 HB2 ALA 70 5.544 18.920 6.176 494 HB3 ALA 70 HB3 ALA 70 6.365 18.696 4.630 495 H ALA 71 H ALA 71 5.831 15.567 3.615 496 HA ALA 71 HA ALA 71 5.031 16.461 0.999 497 HB1 ALA 71 HB1 ALA 71 6.272 14.502 0.214 498 HB2 ALA 71 HB2 ALA 71 7.220 15.420 1.384 499 HB3 ALA 71 HB3 ALA 71 6.425 13.924 1.876 500 H GLU 72 H GLU 72 3.835 14.366 3.431 501 HA GLU 72 HA GLU 72 2.217 12.785 3.537 502 HB2 GLU 72 HB2 GLU 72 0.954 14.755 1.629 503 HB3 GLU 72 HB3 GLU 72 0.079 13.438 2.401 504 HG2 GLU 72 HG2 GLU 72 0.993 14.460 4.603 505 HG3 GLU 72 HG3 GLU 72 1.249 15.900 3.620 506 H GLN 73 H GLN 73 4.090 11.722 2.167 507 HA GLN 73 HA GLN 73 2.955 10.653 -0.314 508 HB2 GLN 73 HB2 GLN 73 5.767 10.581 0.792 509 HB3 GLN 73 HB3 GLN 73 5.271 9.746 -0.673 510 HG2 GLN 73 HG2 GLN 73 5.132 12.719 -0.231 511 HG3 GLN 73 HG3 GLN 73 6.392 11.875 -1.131 512 HE21 GLN 73 HE21 GLN 73 3.064 12.889 -1.112 513 HE22 GLN 73 HE22 GLN 73 2.756 12.590 -2.787 514 HA PRO 74 HA PRO 74 2.010 7.036 2.148 515 HB2 PRO 74 HB2 PRO 74 0.784 5.638 0.190 516 HB3 PRO 74 HB3 PRO 74 -0.004 6.978 1.031 517 HG2 PRO 74 HG2 PRO 74 1.363 6.962 -1.637 518 HG3 PRO 74 HG3 PRO 74 -0.176 7.712 -1.173 519 HD2 PRO 74 HD2 PRO 74 2.124 9.126 -1.368 520 HD3 PRO 74 HD3 PRO 74 0.855 9.530 -0.196 521 H ILE 75 H ILE 75 3.794 5.925 2.596 522 HA ILE 75 HA ILE 75 4.828 4.180 0.489 523 HB ILE 75 HB ILE 75 7.071 4.604 0.865 524 HG12 ILE 75 HG13 ILE 75 7.551 6.316 2.938 525 HG13 ILE 75 3HG1 ILE 75 6.225 5.350 3.580 526 HG21 ILE 75 HG21 ILE 75 5.749 7.273 1.301 527 HG22 ILE 75 HG22 ILE 75 7.419 7.030 0.783 528 HG23 ILE 75 HG23 ILE 75 6.088 6.504 -0.249 529 HD11 ILE 75 HD11 ILE 75 7.491 3.312 3.119 530 HD12 ILE 75 HD12 ILE 75 8.821 4.285 2.492 531 HD13 ILE 75 HD13 ILE 75 8.371 4.403 4.193 532 H LEU 76 H LEU 76 5.351 2.152 1.154 533 HA LEU 76 HA LEU 76 4.684 1.540 3.955 534 HB2 LEU 76 HB2 LEU 76 3.060 0.690 2.344 535 HB3 LEU 76 HB3 LEU 76 4.329 -0.120 1.459 536 HG LEU 76 HG LEU 76 2.744 -1.437 3.071 537 HD11 LEU 76 HD11 LEU 76 5.719 -1.912 3.017 538 HD12 LEU 76 HD12 LEU 76 4.482 -3.112 3.398 539 HD13 LEU 76 HD13 LEU 76 4.568 -2.416 1.779 540 HD21 LEU 76 HD21 LEU 76 3.656 -1.744 5.292 541 HD22 LEU 76 HD22 LEU 76 4.895 -0.530 4.967 542 HD23 LEU 76 HD23 LEU 76 3.196 -0.062 5.033 543 H ARG 77 H ARG 77 6.222 0.683 5.173 544 HA ARG 77 HA ARG 77 8.528 -0.551 3.827 545 HB2 ARG 77 HB2 ARG 77 10.047 0.366 5.378 546 HB3 ARG 77 HB3 ARG 77 9.009 1.698 4.909 547 HG2 ARG 77 HG2 ARG 77 8.546 0.112 7.415 548 HG3 ARG 77 HG3 ARG 77 9.612 1.512 7.357 549 HD2 ARG 77 HD2 ARG 77 6.678 1.461 6.688 550 HD3 ARG 77 HD3 ARG 77 7.403 2.151 8.142 551 HE ARG 77 HE ARG 77 7.590 3.232 5.418 552 HH11 ARG 77 HH12 ARG 77 8.176 3.598 8.860 553 HH12 ARG 77 HH11 ARG 77 8.541 5.300 8.732 554 HH21 ARG 77 HH22 ARG 77 8.104 5.451 5.266 555 HH22 ARG 77 HH21 ARG 77 8.514 6.342 6.701 556 H ALA 78 H ALA 78 9.368 -2.367 4.704 557 HA ALA 78 HA ALA 78 8.496 -3.475 7.200 558 HB1 ALA 78 HB1 ALA 78 7.393 -5.451 6.304 559 HB2 ALA 78 HB2 ALA 78 6.533 -3.995 5.806 560 HB3 ALA 78 HB3 ALA 78 7.583 -4.835 4.663 561 H ARG 79 H ARG 79 9.427 -5.748 7.445 562 HA ARG 79 HA ARG 79 12.128 -5.723 6.370 563 HB2 ARG 79 HB2 ARG 79 11.069 -7.923 8.118 564 HB3 ARG 79 HB3 ARG 79 12.702 -7.287 8.015 565 HG2 ARG 79 HG2 ARG 79 10.329 -6.060 9.393 566 HG3 ARG 79 HG3 ARG 79 11.817 -6.669 10.120 567 HD2 ARG 79 HD2 ARG 79 13.088 -4.894 9.043 568 HD3 ARG 79 HD3 ARG 79 11.613 -4.321 8.255 569 HE ARG 79 HE ARG 79 10.823 -4.043 10.698 570 HH11 ARG 79 HH12 ARG 79 14.137 -3.571 9.664 571 HH12 ARG 79 HH11 ARG 79 14.411 -2.233 10.743 572 HH21 ARG 79 HH22 ARG 79 11.169 -2.347 12.122 573 HH22 ARG 79 HH21 ARG 79 12.716 -1.541 12.160 574 H LEU 80 H LEU 80 12.489 -6.654 4.472 575 HA LEU 80 HA LEU 80 10.699 -8.783 3.573 576 HB2 LEU 80 HB2 LEU 80 12.446 -6.791 2.232 577 HB3 LEU 80 HB3 LEU 80 12.235 -8.336 1.434 578 HG LEU 80 HG LEU 80 9.944 -8.006 1.132 579 HD11 LEU 80 HD11 LEU 80 9.384 -7.281 3.356 580 HD12 LEU 80 HD12 LEU 80 10.072 -5.691 3.021 581 HD13 LEU 80 HD13 LEU 80 8.646 -6.238 2.138 582 HD21 LEU 80 HD21 LEU 80 9.761 -5.795 0.055 583 HD22 LEU 80 HD22 LEU 80 11.334 -5.383 0.732 584 HD23 LEU 80 HD23 LEU 80 11.191 -6.710 -0.424 585 H ARG 81 H ARG 81 11.290 -10.811 3.527 586 HA ARG 81 HA ARG 81 13.903 -11.548 4.468 587 HB2 ARG 81 HB2 ARG 81 12.039 -12.787 5.307 588 HB3 ARG 81 HB3 ARG 81 11.475 -13.159 3.688 589 HG2 ARG 81 HG2 ARG 81 14.182 -14.104 4.408 590 HG3 ARG 81 HG3 ARG 81 12.824 -14.893 5.201 591 HD2 ARG 81 HD2 ARG 81 11.825 -15.194 2.898 592 HD3 ARG 81 HD3 ARG 81 13.379 -14.657 2.263 593 HE ARG 81 HE ARG 81 14.178 -16.648 3.794 594 HH11 ARG 81 HH12 ARG 81 11.540 -16.480 1.505 595 HH12 ARG 81 HH11 ARG 81 11.547 -18.189 1.175 596 HH21 ARG 81 HH22 ARG 81 14.212 -18.895 3.356 597 HH22 ARG 81 HH21 ARG 81 13.083 -19.554 2.202 598 H ASP 82 H ASP 82 15.504 -12.519 3.428 599 HA ASP 82 HA ASP 82 15.383 -12.570 0.498 600 HB2 ASP 82 HB2 ASP 82 17.679 -12.366 2.439 601 HB3 ASP 82 HB3 ASP 82 17.939 -12.830 0.764 602 H CYS 83 H CYS 83 16.542 -14.426 -0.554 603 HA CYS 83 HA CYS 83 15.479 -16.859 0.070 604 HB2 CYS 83 HB2 CYS 83 16.630 -16.230 -2.051 605 HB3 CYS 83 HB3 CYS 83 18.170 -16.467 -1.236 606 HG CYS 83 HG CYS 83 15.862 -18.826 -2.093 607 H ASN 84 H ASN 84 18.348 -15.444 1.479 608 HA ASN 84 HA ASN 84 19.460 -17.802 2.587 609 HB2 ASN 84 HB2 ASN 84 20.787 -15.783 2.384 610 HB3 ASN 84 HB3 ASN 84 19.686 -14.907 3.438 611 HD21 ASN 84 HD21 ASN 84 21.177 -14.359 4.938 612 HD22 ASN 84 HD22 ASN 84 21.944 -15.507 5.996 613 H GLY 85 H GLY 85 16.857 -15.735 3.564 614 HA2 GLY 85 HA3 GLY 85 15.154 -16.492 5.053 615 HA3 GLY 85 HA2 GLY 85 16.354 -17.503 5.860 616 H GLU 86 H GLU 86 16.795 -14.182 4.949 617 HA GLU 86 HA GLU 86 16.933 -13.447 7.794 618 HB2 GLU 86 HB2 GLU 86 18.646 -11.822 7.181 619 HB3 GLU 86 HB3 GLU 86 19.124 -13.435 6.673 620 HG2 GLU 86 HG2 GLU 86 18.221 -12.831 4.388 621 HG3 GLU 86 HG3 GLU 86 18.147 -11.169 4.972 622 H PHE 87 H PHE 87 17.035 -10.684 7.455 623 HA PHE 87 HA PHE 87 14.701 -10.024 5.829 624 HB2 PHE 87 HB2 PHE 87 13.600 -8.852 7.725 625 HB3 PHE 87 HB3 PHE 87 13.689 -10.593 7.957 626 HD1 PHE 87 HD2 PHE 87 15.318 -11.539 9.569 627 HD2 PHE 87 HD1 PHE 87 14.659 -7.347 9.233 628 HE1 PHE 87 HE2 PHE 87 16.377 -11.202 11.762 629 HE2 PHE 87 HE1 PHE 87 15.718 -7.003 11.427 630 HZ PHE 87 HZ PHE 87 16.579 -8.931 12.692 631 H HIS 88 H HIS 88 14.626 -8.134 5.052 632 HA HIS 88 HA HIS 88 16.605 -6.124 5.868 633 HB2 HIS 88 HB2 HIS 88 16.057 -7.265 3.139 634 HB3 HIS 88 HB3 HIS 88 16.710 -5.657 3.332 635 HD1 HIS 88 HD1 HIS 88 17.778 -8.935 2.687 636 HD2 HIS 88 HD2 HIS 88 19.196 -5.863 5.117 637 HE1 HIS 88 HE1 HIS 88 20.206 -9.454 3.105 638 HE2 HIS 88 HE2 HIS 88 21.003 -7.664 4.686 639 H ASP 89 H ASP 89 15.377 -4.454 6.557 640 HA ASP 89 HA ASP 89 12.682 -4.115 5.808 641 HB2 ASP 89 HB2 ASP 89 12.778 -1.964 6.980 642 HB3 ASP 89 HB3 ASP 89 13.516 -3.244 7.930 643 H ARG 90 H ARG 90 11.938 -3.544 3.916 644 HA ARG 90 HA ARG 90 13.483 -1.580 2.350 645 HB2 ARG 90 HB2 ARG 90 11.536 -3.686 1.387 646 HB3 ARG 90 HB3 ARG 90 12.355 -2.518 0.360 647 HG2 ARG 90 HG2 ARG 90 13.669 -4.683 1.986 648 HG3 ARG 90 HG3 ARG 90 13.429 -4.682 0.238 649 HD2 ARG 90 HD2 ARG 90 14.833 -2.668 0.070 650 HD3 ARG 90 HD3 ARG 90 15.103 -2.729 1.813 651 HE ARG 90 HE ARG 90 15.805 -5.138 0.370 652 HH11 ARG 90 HH12 ARG 90 16.944 -2.043 1.590 653 HH12 ARG 90 HH11 ARG 90 18.617 -2.535 1.605 654 HH21 ARG 90 HH22 ARG 90 17.979 -5.789 0.440 655 HH22 ARG 90 HH21 ARG 90 19.195 -4.662 0.971 656 H ASP 91 H ASP 91 11.819 -0.487 0.705 657 HA ASP 91 HA ASP 91 9.329 0.157 2.040 658 HB2 ASP 91 HB2 ASP 91 9.757 2.592 1.906 659 HB3 ASP 91 HB3 ASP 91 10.830 1.776 3.031 660 H VAL 92 H VAL 92 7.778 0.871 0.661 661 HA VAL 92 HA VAL 92 8.560 1.133 -2.156 662 HB VAL 92 HB VAL 92 7.743 -1.148 -1.754 663 HG11 VAL 92 HG11 VAL 92 5.153 0.174 -0.980 664 HG12 VAL 92 HG12 VAL 92 5.384 -1.554 -1.241 665 HG13 VAL 92 HG13 VAL 92 6.217 -0.743 0.086 666 HG21 VAL 92 HG21 VAL 92 5.938 0.544 -3.449 667 HG22 VAL 92 HG22 VAL 92 7.480 -0.170 -3.926 668 HG23 VAL 92 HG23 VAL 92 6.103 -1.210 -3.559 669 H ASN 93 H ASN 93 7.352 2.463 -3.385 670 HA ASN 93 HA ASN 93 5.897 4.511 -1.953 671 HB2 ASN 93 HB2 ASN 93 6.958 4.186 -4.725 672 HB3 ASN 93 HB3 ASN 93 5.665 5.346 -4.462 673 HD21 ASN 93 HD21 ASN 93 8.426 5.788 -5.242 674 HD22 ASN 93 HD22 ASN 93 9.106 6.841 -4.048 675 H LEU 94 H LEU 94 3.829 4.227 -1.470 676 HA LEU 94 HA LEU 94 2.184 2.432 -3.024 677 HB2 LEU 94 HB2 LEU 94 1.512 4.158 -0.636 678 HB3 LEU 94 HB3 LEU 94 0.405 3.026 -1.389 679 HG LEU 94 HG LEU 94 2.665 2.538 0.452 680 HD11 LEU 94 HD11 LEU 94 0.353 2.324 1.155 681 HD12 LEU 94 HD12 LEU 94 0.068 1.116 -0.097 682 HD13 LEU 94 HD13 LEU 94 1.179 0.767 1.228 683 HD21 LEU 94 HD21 LEU 94 1.946 0.540 -1.694 684 HD22 LEU 94 HD22 LEU 94 3.471 1.419 -1.582 685 HD23 LEU 94 HD23 LEU 94 3.025 0.261 -0.330 686 H ASN 95 H ASN 95 3.171 5.445 -3.600 687 HA ASN 95 HA ASN 95 0.841 6.890 -4.239 688 HB2 ASN 95 HB2 ASN 95 3.487 7.085 -5.695 689 HB3 ASN 95 HB3 ASN 95 2.230 8.316 -5.607 690 HD21 ASN 95 HD21 ASN 95 4.908 6.870 -4.074 691 HD22 ASN 95 HD22 ASN 95 4.991 7.914 -2.713 692 H ARG 96 H ARG 96 2.319 4.192 -5.674 693 HA ARG 96 HA ARG 96 1.540 4.450 -8.357 694 HB2 ARG 96 HB2 ARG 96 2.130 2.125 -6.558 695 HB3 ARG 96 HB3 ARG 96 1.485 1.837 -8.164 696 HG2 ARG 96 HG2 ARG 96 3.933 1.647 -8.035 697 HG3 ARG 96 HG3 ARG 96 3.391 2.873 -9.179 698 HD2 ARG 96 HD2 ARG 96 3.988 3.758 -6.404 699 HD3 ARG 96 HD3 ARG 96 5.349 3.298 -7.429 700 HE ARG 96 HE ARG 96 3.410 5.420 -8.074 701 HH11 ARG 96 HH12 ARG 96 6.587 3.979 -8.356 702 HH12 ARG 96 HH11 ARG 96 7.273 5.341 -9.183 703 HH21 ARG 96 HH22 ARG 96 4.308 7.220 -9.159 704 HH22 ARG 96 HH21 ARG 96 5.979 7.169 -9.660 705 H ILE 97 H ILE 97 -0.176 3.638 -5.472 706 HA ILE 97 HA ILE 97 -2.454 2.474 -6.767 707 HB ILE 97 HB ILE 97 -2.121 3.465 -3.933 708 HG12 ILE 97 HG13 ILE 97 -2.060 0.584 -4.715 709 HG13 ILE 97 3HG1 ILE 97 -0.622 1.554 -5.016 710 HG21 ILE 97 HG21 ILE 97 -4.463 3.238 -4.571 711 HG22 ILE 97 HG22 ILE 97 -4.158 1.603 -5.159 712 HG23 ILE 97 HG23 ILE 97 -4.005 1.964 -3.440 713 HD11 ILE 97 HD11 ILE 97 -0.516 0.373 -2.891 714 HD12 ILE 97 HD12 ILE 97 -0.489 2.124 -2.675 715 HD13 ILE 97 HD13 ILE 97 -1.968 1.216 -2.352 716 H GLN 98 H GLN 98 -4.087 3.494 -7.628 717 HA GLN 98 HA GLN 98 -4.493 6.347 -7.010 718 HB2 GLN 98 HB2 GLN 98 -3.703 5.778 -9.337 719 HB3 GLN 98 HB3 GLN 98 -5.212 4.915 -9.572 720 HG2 GLN 98 HG2 GLN 98 -6.474 6.946 -9.339 721 HG3 GLN 98 HG3 GLN 98 -5.017 7.845 -8.918 722 HE21 GLN 98 HE21 GLN 98 -3.543 8.370 -10.511 723 HE22 GLN 98 HE22 GLN 98 -3.906 8.246 -12.196 724 H ASN 99 H ASN 99 -6.777 7.047 -7.304 725 HA ASN 99 HA ASN 99 -8.601 4.948 -6.340 726 HB2 ASN 99 HB2 ASN 99 -8.351 6.540 -4.605 727 HB3 ASN 99 HB3 ASN 99 -8.442 7.895 -5.724 728 HD21 ASN 99 HD21 ASN 99 -10.406 8.676 -6.334 729 HD22 ASN 99 HD22 ASN 99 -11.894 8.153 -5.632 730 H VAL 100 H VAL 100 -10.111 4.373 -7.703 731 HA VAL 100 HA VAL 100 -10.984 6.299 -9.754 732 HB VAL 100 HB VAL 100 -11.102 3.285 -9.921 733 HG11 VAL 100 HG11 VAL 100 -11.654 3.670 -12.277 734 HG12 VAL 100 HG12 VAL 100 -12.851 4.395 -11.201 735 HG13 VAL 100 HG13 VAL 100 -11.647 5.411 -11.991 736 HG21 VAL 100 HG21 VAL 100 -8.799 4.044 -9.977 737 HG22 VAL 100 HG22 VAL 100 -9.300 3.494 -11.577 738 HG23 VAL 100 HG23 VAL 100 -9.196 5.220 -11.230 739 H ASN 101 H ASN 101 -12.665 7.228 -8.699 740 HA ASN 101 HA ASN 101 -14.776 7.523 -7.942 741 HB2 ASN 101 HB2 ASN 101 -15.231 6.215 -10.078 742 HB3 ASN 101 HB3 ASN 101 -15.439 4.802 -9.047 743 HD21 ASN 101 HD21 ASN 101 -17.595 4.585 -9.648 744 HD22 ASN 101 HD22 ASN 101 -18.827 5.656 -9.070 745 H GLY 102 H GLY 102 -12.774 6.033 -6.295 746 HA2 GLY 102 HA3 GLY 102 -13.184 5.722 -3.935 747 HA3 GLY 102 HA2 GLY 102 -14.746 5.033 -4.346 748 H ARG 103 H ARG 103 -11.967 4.067 -6.179 749 HA ARG 103 HA ARG 103 -11.790 1.616 -4.578 750 HB2 ARG 103 HB2 ARG 103 -11.830 0.212 -6.479 751 HB3 ARG 103 HB3 ARG 103 -13.170 1.332 -6.681 752 HG2 ARG 103 HG2 ARG 103 -11.805 2.660 -8.232 753 HG3 ARG 103 HG3 ARG 103 -10.498 1.486 -8.059 754 HD2 ARG 103 HD2 ARG 103 -11.807 1.080 -10.085 755 HD3 ARG 103 HD3 ARG 103 -11.936 -0.264 -8.952 756 HE ARG 103 HE ARG 103 -14.047 1.613 -8.598 757 HH11 ARG 103 HH12 ARG 103 -12.969 -1.007 -10.651 758 HH12 ARG 103 HH11 ARG 103 -14.579 -1.484 -11.106 759 HH21 ARG 103 HH22 ARG 103 -16.163 1.011 -9.201 760 HH22 ARG 103 HH21 ARG 103 -16.395 -0.318 -10.310 761 H LEU 104 H LEU 104 -9.795 0.830 -4.254 762 HA LEU 104 HA LEU 104 -7.554 2.489 -5.083 763 HB2 LEU 104 HB2 LEU 104 -8.154 0.649 -2.887 764 HB3 LEU 104 HB3 LEU 104 -6.535 0.455 -3.528 765 HG LEU 104 HG LEU 104 -5.929 2.674 -2.960 766 HD11 LEU 104 HD11 LEU 104 -7.558 4.276 -1.994 767 HD12 LEU 104 HD12 LEU 104 -7.868 3.877 -3.685 768 HD13 LEU 104 HD13 LEU 104 -8.850 3.152 -2.410 769 HD21 LEU 104 HD21 LEU 104 -7.617 1.509 -0.745 770 HD22 LEU 104 HD22 LEU 104 -5.923 1.152 -1.077 771 HD23 LEU 104 HD23 LEU 104 -6.392 2.763 -0.542 772 H VAL 105 H VAL 105 -6.171 1.949 -6.629 773 HA VAL 105 HA VAL 105 -5.845 -0.856 -7.377 774 HB VAL 105 HB VAL 105 -7.547 -0.039 -8.911 775 HG11 VAL 105 HG11 VAL 105 -5.572 2.120 -9.644 776 HG12 VAL 105 HG12 VAL 105 -7.078 1.784 -10.497 777 HG13 VAL 105 HG13 VAL 105 -7.118 2.341 -8.824 778 HG21 VAL 105 HG21 VAL 105 -4.861 -0.305 -10.257 779 HG22 VAL 105 HG22 VAL 105 -5.919 -1.628 -9.771 780 HG23 VAL 105 HG23 VAL 105 -6.427 -0.514 -11.040 781 H PHE 106 H PHE 106 -3.786 -1.368 -7.782 782 HA PHE 106 HA PHE 106 -1.749 0.644 -7.478 783 HB2 PHE 106 HB2 PHE 106 -0.201 -1.148 -7.346 784 HB3 PHE 106 HB3 PHE 106 -1.654 -1.737 -6.545 785 HD1 PHE 106 HD2 PHE 106 -3.317 -3.048 -8.149 786 HD2 PHE 106 HD1 PHE 106 0.845 -2.512 -8.861 787 HE1 PHE 106 HE2 PHE 106 -3.324 -5.004 -9.643 788 HE2 PHE 106 HE1 PHE 106 0.844 -4.465 -10.356 789 HZ PHE 106 HZ PHE 106 -1.240 -5.713 -10.748 790 H GLN 107 H GLN 107 -0.218 1.270 -9.026 791 HA GLN 107 HA GLN 107 -1.009 0.703 -11.806 792 HB2 GLN 107 HB2 GLN 107 -1.333 3.063 -11.006 793 HB3 GLN 107 HB3 GLN 107 0.409 3.170 -10.787 794 HG2 GLN 107 HG2 GLN 107 0.721 2.752 -13.179 795 HG3 GLN 107 HG3 GLN 107 -1.028 2.677 -13.384 796 HE21 GLN 107 HE21 GLN 107 -1.430 4.828 -11.401 797 HE22 GLN 107 HE22 GLN 107 -1.019 6.297 -12.219 Start of MODEL 25 1 H MET 1 H MET 1 -4.222 12.365 -8.573 2 HA MET 1 HA MET 1 -1.297 12.540 -8.986 3 HB2 MET 1 HB2 MET 1 -2.118 14.314 -7.521 4 HB3 MET 1 HB3 MET 1 -3.001 13.141 -6.557 5 HG2 MET 1 HG2 MET 1 -0.978 13.829 -5.432 6 HG3 MET 1 HG3 MET 1 -0.896 12.121 -5.859 7 HE1 MET 1 HE1 MET 1 1.737 12.137 -5.427 8 HE2 MET 1 HE2 MET 1 2.830 13.313 -6.156 9 HE3 MET 1 HE3 MET 1 1.627 13.839 -4.978 10 H SER 2 H SER 2 -3.336 11.288 -6.388 11 HA SER 2 HA SER 2 -2.910 8.537 -7.054 12 HB2 SER 2 HB2 SER 2 -1.592 9.566 -4.522 13 HB3 SER 2 HB3 SER 2 -1.578 7.912 -5.130 14 HG SER 2 HG SER 2 -0.582 9.230 -7.083 15 H TYR 3 H TYR 3 -3.760 7.184 -5.041 16 HA TYR 3 HA TYR 3 -6.360 8.080 -4.496 17 HB2 TYR 3 HB2 TYR 3 -6.616 6.150 -3.178 18 HB3 TYR 3 HB3 TYR 3 -5.377 5.695 -4.344 19 HD1 TYR 3 HD1 TYR 3 -2.938 5.787 -3.589 20 HD2 TYR 3 HD2 TYR 3 -6.207 6.005 -0.882 21 HE1 TYR 3 HE1 TYR 3 -1.445 5.162 -1.742 22 HE2 TYR 3 HE2 TYR 3 -4.729 5.382 0.975 23 HH TYR 3 HH TYR 3 -2.571 4.183 1.286 24 H ALA 4 H ALA 4 -3.357 8.402 -2.746 25 HA ALA 4 HA ALA 4 -4.237 9.311 -0.281 26 HB1 ALA 4 HB1 ALA 4 -2.012 10.191 0.028 27 HB2 ALA 4 HB2 ALA 4 -1.934 8.631 -0.790 28 HB3 ALA 4 HB3 ALA 4 -1.714 10.119 -1.708 29 H ASP 5 H ASP 5 -4.118 11.014 -3.313 30 HA ASP 5 HA ASP 5 -4.020 13.658 -2.369 31 HB2 ASP 5 HB2 ASP 5 -3.708 13.043 -4.738 32 HB3 ASP 5 HB3 ASP 5 -5.410 12.602 -4.841 33 H SER 6 H SER 6 -6.531 11.317 -2.249 34 HA SER 6 HA SER 6 -8.274 13.271 -0.961 35 HB2 SER 6 HB2 SER 6 -9.221 11.460 -3.196 36 HB3 SER 6 HB3 SER 6 -10.229 12.562 -2.256 37 HG SER 6 HG SER 6 -8.261 14.020 -3.174 38 H SER 7 H SER 7 -6.666 11.140 0.092 39 HA SER 7 HA SER 7 -8.756 9.256 0.974 40 HB2 SER 7 HB2 SER 7 -7.037 7.595 1.322 41 HB3 SER 7 HB3 SER 7 -6.879 8.224 -0.319 42 HG SER 7 HG SER 7 -5.419 9.714 1.371 43 H ARG 8 H ARG 8 -8.608 8.499 3.156 44 HA ARG 8 HA ARG 8 -6.947 9.945 5.035 45 HB2 ARG 8 HB2 ARG 8 -8.687 10.928 6.290 46 HB3 ARG 8 HB3 ARG 8 -9.094 11.309 4.620 47 HG2 ARG 8 HG2 ARG 8 -10.379 8.926 5.012 48 HG3 ARG 8 HG3 ARG 8 -10.529 9.708 6.586 49 HD2 ARG 8 HD2 ARG 8 -12.414 10.274 5.163 50 HD3 ARG 8 HD3 ARG 8 -11.437 11.705 5.500 51 HE ARG 8 HE ARG 8 -11.257 10.182 2.984 52 HH11 ARG 8 HH12 ARG 8 -11.306 13.196 4.762 53 HH12 ARG 8 HH11 ARG 8 -11.142 14.191 3.340 54 HH21 ARG 8 HH22 ARG 8 -11.024 11.487 1.106 55 HH22 ARG 8 HH21 ARG 8 -10.995 13.219 1.259 56 H ASN 9 H ASN 9 -7.399 9.076 7.274 57 HA ASN 9 HA ASN 9 -7.269 7.280 8.653 58 HB2 ASN 9 HB2 ASN 9 -9.855 6.831 7.176 59 HB3 ASN 9 HB3 ASN 9 -9.335 5.752 8.473 60 HD21 ASN 9 HD21 ASN 9 -8.041 7.887 9.965 61 HD22 ASN 9 HD22 ASN 9 -9.304 8.831 10.671 62 H ALA 10 H ALA 10 -5.714 7.024 6.320 63 HA ALA 10 HA ALA 10 -6.009 4.361 5.275 64 HB1 ALA 10 HB1 ALA 10 -3.985 4.832 4.038 65 HB2 ALA 10 HB2 ALA 10 -5.070 6.218 3.942 66 HB3 ALA 10 HB3 ALA 10 -3.678 6.262 5.024 67 H VAL 11 H VAL 11 -5.521 2.634 6.426 68 HA VAL 11 HA VAL 11 -3.072 2.591 8.027 69 HB VAL 11 HB VAL 11 -5.708 1.615 9.163 70 HG11 VAL 11 HG11 VAL 11 -4.454 1.397 11.253 71 HG12 VAL 11 HG12 VAL 11 -3.766 0.402 9.970 72 HG13 VAL 11 HG13 VAL 11 -2.987 1.918 10.423 73 HG21 VAL 11 HG21 VAL 11 -5.599 3.486 10.736 74 HG22 VAL 11 HG22 VAL 11 -4.187 4.116 9.890 75 HG23 VAL 11 HG23 VAL 11 -5.747 4.048 9.072 76 H LEU 12 H LEU 12 -2.221 0.502 8.281 77 HA LEU 12 HA LEU 12 -3.090 -1.403 6.279 78 HB2 LEU 12 HB2 LEU 12 -0.652 -0.775 7.574 79 HB3 LEU 12 HB3 LEU 12 -1.055 -2.412 8.047 80 HG LEU 12 HG LEU 12 -1.065 -3.159 5.780 81 HD11 LEU 12 HD11 LEU 12 -2.155 -1.249 4.748 82 HD12 LEU 12 HD12 LEU 12 -0.715 -0.264 5.012 83 HD13 LEU 12 HD13 LEU 12 -0.656 -1.633 3.903 84 HD21 LEU 12 HD21 LEU 12 1.275 -1.320 6.278 85 HD22 LEU 12 HD22 LEU 12 1.126 -2.990 6.813 86 HD23 LEU 12 HD23 LEU 12 1.234 -2.623 5.093 87 H THR 13 H THR 13 -3.800 -3.498 6.702 88 HA THR 13 HA THR 13 -4.597 -4.090 9.466 89 HB THR 13 HB THR 13 -6.334 -4.709 7.074 90 HG1 THR 13 HG1 THR 13 -5.963 -2.307 8.393 91 HG21 THR 13 HG21 THR 13 -6.718 -5.984 9.156 92 HG22 THR 13 HG22 THR 13 -8.088 -4.948 8.748 93 HG23 THR 13 HG23 THR 13 -6.965 -4.467 10.021 94 H ASN 14 H ASN 14 -5.052 -6.414 9.779 95 HA ASN 14 HA ASN 14 -4.665 -8.645 9.545 96 HB2 ASN 14 HB2 ASN 14 -5.234 -7.901 7.029 97 HB3 ASN 14 HB3 ASN 14 -3.561 -8.397 6.801 98 HD21 ASN 14 HD21 ASN 14 -3.578 -10.468 8.794 99 HD22 ASN 14 HD22 ASN 14 -4.520 -11.772 8.149 100 H GLY 15 H GLY 15 -2.442 -6.329 9.647 101 HA2 GLY 15 HA3 GLY 15 -0.324 -6.601 10.684 102 HA3 GLY 15 HA2 GLY 15 -0.270 -8.248 10.070 103 H GLY 16 H GLY 16 -1.272 -5.724 7.980 104 HA2 GLY 16 HA3 GLY 16 0.061 -4.445 6.485 105 HA3 GLY 16 HA2 GLY 16 1.394 -5.556 6.766 106 H ARG 17 H ARG 17 -1.763 -6.828 6.231 107 HA ARG 17 HA ARG 17 -0.859 -7.805 3.618 108 HB2 ARG 17 HB2 ARG 17 -3.154 -8.991 5.150 109 HB3 ARG 17 HB3 ARG 17 -2.141 -9.741 3.925 110 HG2 ARG 17 HG2 ARG 17 -0.241 -9.553 5.612 111 HG3 ARG 17 HG3 ARG 17 -1.481 -9.172 6.796 112 HD2 ARG 17 HD2 ARG 17 -0.865 -11.569 6.764 113 HD3 ARG 17 HD3 ARG 17 -2.571 -11.275 6.435 114 HE ARG 17 HE ARG 17 -0.753 -11.639 4.163 115 HH11 ARG 17 HH12 ARG 17 -3.273 -12.934 6.230 116 HH12 ARG 17 HH11 ARG 17 -3.795 -14.115 5.073 117 HH21 ARG 17 HH22 ARG 17 -1.453 -13.216 2.632 118 HH22 ARG 17 HH21 ARG 17 -2.750 -14.291 3.045 119 H THR 18 H THR 18 -3.138 -5.796 5.168 120 HA THR 18 HA THR 18 -4.593 -5.506 2.630 121 HB THR 18 HB THR 18 -5.854 -5.481 5.379 122 HG1 THR 18 HG1 THR 18 -6.223 -7.348 3.236 123 HG21 THR 18 HG21 THR 18 -7.119 -5.227 2.648 124 HG22 THR 18 HG22 THR 18 -6.928 -3.921 3.819 125 HG23 THR 18 HG23 THR 18 -7.977 -5.293 4.188 126 H LEU 19 H LEU 19 -4.637 -3.495 1.926 127 HA LEU 19 HA LEU 19 -3.849 -1.313 3.689 128 HB2 LEU 19 HB2 LEU 19 -2.630 -1.462 1.635 129 HB3 LEU 19 HB3 LEU 19 -4.106 -1.592 0.702 130 HG LEU 19 HG LEU 19 -4.659 0.734 1.236 131 HD11 LEU 19 HD11 LEU 19 -3.570 0.917 3.398 132 HD12 LEU 19 HD12 LEU 19 -1.988 0.754 2.631 133 HD13 LEU 19 HD13 LEU 19 -2.988 2.169 2.300 134 HD21 LEU 19 HD21 LEU 19 -2.879 1.758 -0.110 135 HD22 LEU 19 HD22 LEU 19 -1.909 0.297 0.088 136 HD23 LEU 19 HD23 LEU 19 -3.440 0.225 -0.786 137 H ARG 20 H ARG 20 -5.508 -0.421 4.753 138 HA ARG 20 HA ARG 20 -8.092 -0.128 3.387 139 HB2 ARG 20 HB2 ARG 20 -7.703 -1.209 5.758 140 HB3 ARG 20 HB3 ARG 20 -7.646 0.462 6.292 141 HG2 ARG 20 HG2 ARG 20 -9.944 -0.817 4.831 142 HG3 ARG 20 HG3 ARG 20 -9.856 -0.562 6.571 143 HD2 ARG 20 HD2 ARG 20 -9.869 1.576 4.447 144 HD3 ARG 20 HD3 ARG 20 -11.206 1.156 5.514 145 HE ARG 20 HE ARG 20 -8.727 2.524 6.286 146 HH11 ARG 20 HH12 ARG 20 -11.900 1.329 7.138 147 HH12 ARG 20 HH11 ARG 20 -12.053 2.357 8.535 148 HH21 ARG 20 HH22 ARG 20 -8.906 3.864 8.116 149 HH22 ARG 20 HH21 ARG 20 -10.344 3.802 9.100 150 H ALA 21 H ALA 21 -8.660 1.832 2.635 151 HA ALA 21 HA ALA 21 -7.769 4.229 4.025 152 HB1 ALA 21 HB1 ALA 21 -5.967 3.795 2.412 153 HB2 ALA 21 HB2 ALA 21 -7.149 3.807 1.103 154 HB3 ALA 21 HB3 ALA 21 -6.850 5.274 2.031 155 H GLU 22 H GLU 22 -9.222 5.892 3.848 156 HA GLU 22 HA GLU 22 -11.641 5.285 2.302 157 HB2 GLU 22 HB2 GLU 22 -11.352 7.551 4.266 158 HB3 GLU 22 HB3 GLU 22 -12.820 6.742 3.737 159 HG2 GLU 22 HG2 GLU 22 -11.716 4.652 4.857 160 HG3 GLU 22 HG3 GLU 22 -10.788 5.875 5.731 161 H CYS 23 H CYS 23 -11.589 6.066 0.311 162 HA CYS 23 HA CYS 23 -10.419 8.737 -0.113 163 HB2 CYS 23 HB2 CYS 23 -10.065 7.830 -2.505 164 HB3 CYS 23 HB3 CYS 23 -8.975 7.281 -1.234 165 HG CYS 23 HG CYS 23 -10.882 5.521 -3.232 166 H ARG 24 H ARG 24 -11.528 10.181 -1.340 167 HA ARG 24 HA ARG 24 -14.340 9.753 -1.603 168 HB2 ARG 24 HB2 ARG 24 -14.295 11.972 -1.322 169 HB3 ARG 24 HB3 ARG 24 -12.551 11.989 -1.515 170 HG2 ARG 24 HG2 ARG 24 -14.342 11.945 -3.907 171 HG3 ARG 24 HG3 ARG 24 -14.010 13.451 -3.052 172 HD2 ARG 24 HD2 ARG 24 -11.850 13.521 -3.738 173 HD3 ARG 24 HD3 ARG 24 -11.677 11.767 -3.715 174 HE ARG 24 HE ARG 24 -13.328 12.136 -5.797 175 HH11 ARG 24 HH12 ARG 24 -10.303 13.666 -4.914 176 HH12 ARG 24 HH11 ARG 24 -9.792 13.918 -6.557 177 HH21 ARG 24 HH22 ARG 24 -12.658 12.462 -7.968 178 HH22 ARG 24 HH21 ARG 24 -11.129 13.215 -8.296 179 H ASN 25 H ASN 25 -15.552 9.556 -3.481 180 HA ASN 25 HA ASN 25 -14.104 8.427 -5.727 181 HB2 ASN 25 HB2 ASN 25 -16.369 7.922 -6.627 182 HB3 ASN 25 HB3 ASN 25 -16.074 7.260 -5.028 183 HD21 ASN 25 HD21 ASN 25 -18.362 7.073 -4.839 184 HD22 ASN 25 HD22 ASN 25 -19.310 8.457 -4.400 185 H ALA 26 H ALA 26 -15.499 9.025 -7.928 186 HA ALA 26 HA ALA 26 -14.499 11.511 -8.718 187 HB1 ALA 26 HB1 ALA 26 -14.980 9.725 -10.300 188 HB2 ALA 26 HB2 ALA 26 -16.707 9.897 -9.985 189 HB3 ALA 26 HB3 ALA 26 -15.817 11.209 -10.756 190 H ASP 27 H ASP 27 -17.563 10.637 -7.310 191 HA ASP 27 HA ASP 27 -18.946 13.046 -7.978 192 HB2 ASP 27 HB2 ASP 27 -20.112 10.935 -7.456 193 HB3 ASP 27 HB3 ASP 27 -19.504 11.007 -5.810 194 H GLY 28 H GLY 28 -16.782 12.075 -5.455 195 HA2 GLY 28 HA3 GLY 28 -15.632 13.790 -4.189 196 HA3 GLY 28 HA2 GLY 28 -17.122 14.725 -4.203 197 H ASN 29 H ASN 29 -17.933 11.560 -3.736 198 HA ASN 29 HA ASN 29 -18.387 12.015 -0.895 199 HB2 ASN 29 HB2 ASN 29 -19.588 10.351 -2.990 200 HB3 ASN 29 HB3 ASN 29 -19.417 9.531 -1.441 201 HD21 ASN 29 HD21 ASN 29 -20.982 12.091 -3.181 202 HD22 ASN 29 HD22 ASN 29 -22.144 12.485 -1.953 203 H TRP 30 H TRP 30 -17.614 10.703 0.751 204 HA TRP 30 HA TRP 30 -15.055 9.522 0.268 205 HB2 TRP 30 HB2 TRP 30 -16.783 9.570 2.747 206 HB3 TRP 30 HB3 TRP 30 -15.145 8.929 2.695 207 HD1 TRP 30 HD1 TRP 30 -14.678 11.677 0.559 208 HE1 TRP 30 HE1 TRP 30 -13.965 13.824 1.799 209 HE3 TRP 30 HE3 TRP 30 -16.005 10.337 5.310 210 HZ2 TRP 30 HZ2 TRP 30 -13.951 14.798 4.448 211 HZ3 TRP 30 HZ3 TRP 30 -15.608 11.932 7.142 212 HH2 TRP 30 HH2 TRP 30 -14.602 14.116 6.717 213 H VAL 31 H VAL 31 -14.530 7.502 -0.141 214 HA VAL 31 HA VAL 31 -16.550 5.395 0.285 215 HB VAL 31 HB VAL 31 -14.517 5.365 -1.939 216 HG11 VAL 31 HG11 VAL 31 -15.415 3.206 -1.319 217 HG12 VAL 31 HG12 VAL 31 -17.062 3.815 -1.489 218 HG13 VAL 31 HG13 VAL 31 -16.019 3.683 -2.904 219 HG21 VAL 31 HG21 VAL 31 -16.330 6.029 -3.471 220 HG22 VAL 31 HG22 VAL 31 -17.361 6.351 -2.076 221 HG23 VAL 31 HG23 VAL 31 -15.896 7.303 -2.329 222 H THR 32 H THR 32 -15.842 3.948 1.734 223 HA THR 32 HA THR 32 -13.094 3.815 2.515 224 HB THR 32 HB THR 32 -15.293 1.868 3.235 225 HG1 THR 32 HG1 THR 32 -14.593 4.005 4.931 226 HG21 THR 32 HG21 THR 32 -13.952 1.512 5.252 227 HG22 THR 32 HG22 THR 32 -12.764 2.683 4.675 228 HG23 THR 32 HG23 THR 32 -13.005 1.171 3.803 229 H SER 33 H SER 33 -11.673 2.946 1.128 230 HA SER 33 HA SER 33 -12.474 0.538 -0.357 231 HB2 SER 33 HB2 SER 33 -10.249 2.462 -1.048 232 HB3 SER 33 HB3 SER 33 -10.897 1.169 -2.057 233 HG SER 33 HG SER 33 -11.877 3.702 -1.572 234 H GLU 34 H GLU 34 -11.157 -1.237 -0.390 235 HA GLU 34 HA GLU 34 -8.762 -1.179 1.299 236 HB2 GLU 34 HB2 GLU 34 -10.639 -3.530 1.303 237 HB3 GLU 34 HB3 GLU 34 -9.367 -3.141 2.454 238 HG2 GLU 34 HG2 GLU 34 -10.743 -1.156 3.127 239 HG3 GLU 34 HG3 GLU 34 -12.044 -1.821 2.147 240 H LEU 35 H LEU 35 -7.069 -2.232 0.479 241 HA LEU 35 HA LEU 35 -7.516 -4.105 -1.735 242 HB2 LEU 35 HB2 LEU 35 -6.822 -2.175 -2.897 243 HB3 LEU 35 HB3 LEU 35 -5.638 -1.759 -1.673 244 HG LEU 35 HG LEU 35 -4.197 -3.588 -2.378 245 HD11 LEU 35 HD11 LEU 35 -5.900 -5.211 -3.035 246 HD12 LEU 35 HD12 LEU 35 -6.308 -4.223 -4.440 247 HD13 LEU 35 HD13 LEU 35 -4.714 -4.973 -4.316 248 HD21 LEU 35 HD21 LEU 35 -5.174 -1.918 -4.687 249 HD22 LEU 35 HD22 LEU 35 -3.938 -1.468 -3.513 250 HD23 LEU 35 HD23 LEU 35 -3.645 -2.797 -4.636 251 H ASP 36 H ASP 36 -6.761 -5.971 -1.212 252 HA ASP 36 HA ASP 36 -5.047 -6.416 0.985 253 HB2 ASP 36 HB2 ASP 36 -5.953 -8.170 -1.300 254 HB3 ASP 36 HB3 ASP 36 -4.969 -8.748 0.028 255 H LEU 37 H LEU 37 -3.029 -5.719 0.946 256 HA LEU 37 HA LEU 37 -1.475 -5.211 -1.332 257 HB2 LEU 37 HB2 LEU 37 -0.568 -5.878 1.463 258 HB3 LEU 37 HB3 LEU 37 0.400 -5.093 0.218 259 HG LEU 37 HG LEU 37 -2.130 -3.949 1.316 260 HD11 LEU 37 HD11 LEU 37 -0.784 -2.604 2.738 261 HD12 LEU 37 HD12 LEU 37 -0.417 -4.310 3.015 262 HD13 LEU 37 HD13 LEU 37 0.688 -3.314 2.069 263 HD21 LEU 37 HD21 LEU 37 -1.487 -3.148 -0.903 264 HD22 LEU 37 HD22 LEU 37 -1.332 -1.884 0.320 265 HD23 LEU 37 HD23 LEU 37 0.106 -2.719 -0.274 266 H ASP 38 H ASP 38 -1.684 -7.920 0.869 267 HA ASP 38 HA ASP 38 0.404 -9.442 -0.256 268 HB2 ASP 38 HB2 ASP 38 -0.192 -11.124 1.182 269 HB3 ASP 38 HB3 ASP 38 -0.957 -9.758 1.987 270 H THR 39 H THR 39 -2.450 -8.501 -1.677 271 HA THR 39 HA THR 39 -2.628 -11.000 -3.224 272 HB THR 39 HB THR 39 -4.691 -9.723 -2.108 273 HG1 THR 39 HG1 THR 39 -4.576 -11.744 -3.440 274 HG21 THR 39 HG21 THR 39 -4.406 -7.678 -3.429 275 HG22 THR 39 HG22 THR 39 -5.942 -8.470 -3.787 276 HG23 THR 39 HG23 THR 39 -4.589 -8.614 -4.910 277 H ILE 40 H ILE 40 -1.295 -7.928 -3.398 278 HA ILE 40 HA ILE 40 -0.820 -8.268 -6.262 279 HB ILE 40 HB ILE 40 -1.211 -5.792 -6.630 280 HG12 ILE 40 HG13 ILE 40 -3.172 -5.062 -4.972 281 HG13 ILE 40 3HG1 ILE 40 -2.275 -6.100 -3.871 282 HG21 ILE 40 HG21 ILE 40 -3.620 -6.073 -6.994 283 HG22 ILE 40 HG22 ILE 40 -2.693 -7.474 -7.535 284 HG23 ILE 40 HG23 ILE 40 -3.584 -7.539 -6.014 285 HD11 ILE 40 HD11 ILE 40 -1.195 -3.704 -5.332 286 HD12 ILE 40 HD12 ILE 40 -1.612 -3.795 -3.620 287 HD13 ILE 40 HD13 ILE 40 -0.275 -4.754 -4.250 288 H ILE 41 H ILE 41 0.575 -8.084 -3.457 289 HA ILE 41 HA ILE 41 2.830 -6.454 -4.441 290 HB ILE 41 HB ILE 41 1.828 -6.656 -1.601 291 HG12 ILE 41 HG13 ILE 41 1.700 -4.566 -3.720 292 HG13 ILE 41 3HG1 ILE 41 0.502 -5.027 -2.518 293 HG21 ILE 41 HG21 ILE 41 4.248 -6.676 -1.600 294 HG22 ILE 41 HG22 ILE 41 4.278 -5.246 -2.634 295 HG23 ILE 41 HG23 ILE 41 3.633 -5.135 -0.993 296 HD11 ILE 41 HD11 ILE 41 2.998 -3.443 -1.995 297 HD12 ILE 41 HD12 ILE 41 1.356 -2.799 -2.098 298 HD13 ILE 41 HD13 ILE 41 1.795 -3.902 -0.790 299 H GLY 42 H GLY 42 4.753 -7.470 -4.443 300 HA2 GLY 42 HA3 GLY 42 4.922 -10.027 -2.963 301 HA3 GLY 42 HA2 GLY 42 5.477 -9.892 -4.626 302 H ASN 43 H ASN 43 7.066 -10.720 -2.421 303 HA ASN 43 HA ASN 43 8.933 -8.461 -2.206 304 HB2 ASN 43 HB2 ASN 43 8.338 -9.071 -0.002 305 HB3 ASN 43 HB3 ASN 43 8.429 -10.790 -0.364 306 HD21 ASN 43 HD21 ASN 43 9.826 -11.183 1.323 307 HD22 ASN 43 HD22 ASN 43 11.497 -10.715 1.273 308 H ASN 44 H ASN 44 10.430 -8.594 -3.672 309 HA ASN 44 HA ASN 44 11.359 -11.175 -4.649 310 HB2 ASN 44 HB2 ASN 44 10.870 -9.257 -6.204 311 HB3 ASN 44 HB3 ASN 44 12.222 -8.393 -5.482 312 HD21 ASN 44 HD21 ASN 44 14.336 -9.161 -5.835 313 HD22 ASN 44 HD22 ASN 44 14.703 -10.211 -7.161 314 H ASP 45 H ASP 45 12.275 -11.764 -2.609 315 HA ASP 45 HA ASP 45 13.826 -11.869 -0.948 316 HB2 ASP 45 HB2 ASP 45 16.119 -12.261 -1.801 317 HB3 ASP 45 HB3 ASP 45 14.885 -13.171 -2.653 318 H GLY 46 H GLY 46 12.941 -9.370 -0.741 319 HA2 GLY 46 HA3 GLY 46 13.846 -7.669 0.674 320 HA3 GLY 46 HA2 GLY 46 15.407 -7.903 -0.094 321 H HIS 47 H HIS 47 12.330 -7.552 -1.778 322 HA HIS 47 HA HIS 47 12.716 -4.769 -2.373 323 HB2 HIS 47 HB2 HIS 47 14.380 -5.780 -3.902 324 HB3 HIS 47 HB3 HIS 47 13.118 -6.783 -4.606 325 HD1 HIS 47 HD1 HIS 47 14.536 -3.345 -4.665 326 HD2 HIS 47 HD2 HIS 47 11.337 -5.424 -6.329 327 HE1 HIS 47 HE1 HIS 47 13.627 -1.860 -6.486 328 HE2 HIS 47 HE2 HIS 47 11.558 -3.041 -7.314 329 H PHE 48 H PHE 48 10.686 -3.980 -2.428 330 HA PHE 48 HA PHE 48 8.414 -5.649 -2.637 331 HB2 PHE 48 HB2 PHE 48 8.770 -2.668 -2.730 332 HB3 PHE 48 HB3 PHE 48 7.193 -3.409 -2.985 333 HD1 PHE 48 HD1 PHE 48 6.488 -5.141 -1.132 334 HD2 PHE 48 HD2 PHE 48 9.370 -2.059 -0.607 335 HE1 PHE 48 HE1 PHE 48 6.137 -5.234 1.301 336 HE2 PHE 48 HE2 PHE 48 9.028 -2.148 1.828 337 HZ PHE 48 HZ PHE 48 7.410 -3.737 2.784 338 H GLN 49 H GLN 49 7.146 -6.207 -4.275 339 HA GLN 49 HA GLN 49 7.752 -5.116 -6.933 340 HB2 GLN 49 HB2 GLN 49 8.675 -7.265 -7.038 341 HB3 GLN 49 HB3 GLN 49 7.408 -7.961 -6.038 342 HG2 GLN 49 HG2 GLN 49 5.820 -7.771 -7.838 343 HG3 GLN 49 HG3 GLN 49 7.001 -6.948 -8.844 344 HE21 GLN 49 HE21 GLN 49 5.558 -9.357 -9.426 345 HE22 GLN 49 HE22 GLN 49 6.728 -10.618 -9.640 346 H TRP 50 H TRP 50 6.036 -4.044 -7.668 347 HA TRP 50 HA TRP 50 3.422 -4.491 -6.614 348 HB2 TRP 50 HB2 TRP 50 4.460 -2.854 -8.928 349 HB3 TRP 50 HB3 TRP 50 2.739 -2.987 -8.584 350 HD1 TRP 50 HD1 TRP 50 5.687 -0.925 -7.733 351 HE1 TRP 50 HE1 TRP 50 5.144 0.655 -5.766 352 HE3 TRP 50 HE3 TRP 50 1.318 -3.060 -6.163 353 HZ2 TRP 50 HZ2 TRP 50 3.133 0.947 -3.818 354 HZ3 TRP 50 HZ3 TRP 50 0.149 -2.076 -4.237 355 HH2 TRP 50 HH2 TRP 50 1.036 -0.112 -3.087 356 H GLY 51 H GLY 51 2.276 -6.207 -7.062 357 HA2 GLY 51 HA3 GLY 51 0.915 -7.429 -8.619 358 HA3 GLY 51 HA2 GLY 51 2.157 -7.186 -9.839 359 H GLY 52 H GLY 52 2.944 -8.175 -6.567 360 HA2 GLY 52 HA3 GLY 52 3.945 -10.699 -7.689 361 HA3 GLY 52 HA2 GLY 52 4.499 -9.956 -6.200 362 H GLN 53 H GLN 53 2.261 -9.575 -4.761 363 HA GLN 53 HA GLN 53 0.704 -10.526 -3.431 364 HB2 GLN 53 HB2 GLN 53 -0.676 -11.224 -5.152 365 HB3 GLN 53 HB3 GLN 53 0.508 -12.352 -5.797 366 HG2 GLN 53 HG2 GLN 53 0.101 -13.849 -3.908 367 HG3 GLN 53 HG3 GLN 53 -1.062 -12.700 -3.254 368 HE21 GLN 53 HE21 GLN 53 -1.425 -15.474 -4.075 369 HE22 GLN 53 HE22 GLN 53 -2.673 -15.460 -5.277 370 H ASN 54 H ASN 54 0.687 -11.874 -1.682 371 HA ASN 54 HA ASN 54 1.401 -13.349 -0.117 372 HB2 ASN 54 HB2 ASN 54 2.957 -14.628 -2.370 373 HB3 ASN 54 HB3 ASN 54 2.824 -15.288 -0.745 374 HD21 ASN 54 HD21 ASN 54 2.048 -16.484 -3.222 375 HD22 ASN 54 HD22 ASN 54 0.345 -16.803 -3.121 376 H PHE 55 H PHE 55 2.765 -10.850 -0.665 377 HA PHE 55 HA PHE 55 5.574 -11.319 -0.278 378 HB2 PHE 55 HB2 PHE 55 5.861 -9.019 -0.427 379 HB3 PHE 55 HB3 PHE 55 4.381 -9.231 -1.345 380 HD1 PHE 55 HD2 PHE 55 2.177 -8.759 -0.202 381 HD2 PHE 55 HD1 PHE 55 5.935 -7.619 1.436 382 HE1 PHE 55 HE2 PHE 55 1.051 -7.098 1.220 383 HE2 PHE 55 HE1 PHE 55 4.813 -5.956 2.858 384 HZ PHE 55 HZ PHE 55 2.368 -5.694 2.752 385 H THR 56 H THR 56 2.798 -10.874 1.731 386 HA THR 56 HA THR 56 4.079 -10.052 4.094 387 HB THR 56 HB THR 56 1.998 -10.934 5.210 388 HG1 THR 56 HG1 THR 56 1.189 -12.514 3.962 389 HG21 THR 56 HG21 THR 56 0.509 -9.282 4.049 390 HG22 THR 56 HG22 THR 56 1.781 -9.072 2.849 391 HG23 THR 56 HG23 THR 56 2.078 -8.643 4.535 392 H GLU 57 H GLU 57 3.841 -13.133 2.557 393 HA GLU 57 HA GLU 57 4.340 -14.696 4.892 394 HB2 GLU 57 HB2 GLU 57 4.278 -16.529 3.505 395 HB3 GLU 57 HB3 GLU 57 3.412 -15.374 2.502 396 HG2 GLU 57 HG2 GLU 57 5.381 -14.965 1.197 397 HG3 GLU 57 HG3 GLU 57 6.341 -15.991 2.263 398 H THR 58 H THR 58 6.268 -12.733 2.868 399 HA THR 58 HA THR 58 8.711 -13.888 4.036 400 HB THR 58 HB THR 58 9.921 -13.163 2.004 401 HG1 THR 58 HG1 THR 58 8.020 -12.849 0.237 402 HG21 THR 58 HG21 THR 58 9.057 -15.457 2.128 403 HG22 THR 58 HG22 THR 58 9.033 -14.850 0.470 404 HG23 THR 58 HG23 THR 58 7.539 -14.917 1.407 405 H ALA 59 H ALA 59 6.742 -11.587 4.624 406 HA ALA 59 HA ALA 59 8.808 -9.527 4.971 407 HB1 ALA 59 HB1 ALA 59 5.892 -9.005 4.406 408 HB2 ALA 59 HB2 ALA 59 7.157 -7.797 4.631 409 HB3 ALA 59 HB3 ALA 59 7.196 -8.863 3.227 410 H GLU 60 H GLU 60 8.613 -8.233 6.818 411 HA GLU 60 HA GLU 60 6.703 -9.022 8.879 412 HB2 GLU 60 HB2 GLU 60 9.188 -8.815 10.206 413 HB3 GLU 60 HB3 GLU 60 8.182 -10.247 10.039 414 HG2 GLU 60 HG2 GLU 60 9.308 -10.737 7.896 415 HG3 GLU 60 HG3 GLU 60 10.361 -9.352 8.162 416 H ASP 61 H ASP 61 7.047 -7.528 10.856 417 HA ASP 61 HA ASP 61 6.825 -5.359 11.602 418 HB2 ASP 61 HB2 ASP 61 9.438 -5.872 11.314 419 HB3 ASP 61 HB3 ASP 61 9.298 -4.586 10.132 420 H ILE 62 H ILE 62 5.135 -5.510 9.626 421 HA ILE 62 HA ILE 62 5.790 -3.674 7.490 422 HB ILE 62 HB ILE 62 3.076 -4.893 7.986 423 HG12 ILE 62 HG13 ILE 62 5.586 -6.150 6.871 424 HG13 ILE 62 3HG1 ILE 62 4.522 -6.773 8.122 425 HG21 ILE 62 HG21 ILE 62 3.148 -3.239 6.255 426 HG22 ILE 62 HG22 ILE 62 4.578 -3.979 5.534 427 HG23 ILE 62 HG23 ILE 62 3.029 -4.824 5.494 428 HD11 ILE 62 HD11 ILE 62 3.860 -6.548 5.197 429 HD12 ILE 62 HD12 ILE 62 4.296 -8.025 6.058 430 HD13 ILE 62 HD13 ILE 62 2.795 -7.184 6.452 431 H ARG 63 H ARG 63 5.841 -1.611 8.026 432 HA ARG 63 HA ARG 63 3.697 -0.446 9.652 433 HB2 ARG 63 HB2 ARG 63 6.561 0.285 9.151 434 HB3 ARG 63 HB3 ARG 63 5.417 1.519 9.649 435 HG2 ARG 63 HG2 ARG 63 6.446 0.838 11.599 436 HG3 ARG 63 HG3 ARG 63 4.896 0.012 11.607 437 HD2 ARG 63 HD2 ARG 63 7.122 -1.478 10.403 438 HD3 ARG 63 HD3 ARG 63 7.256 -1.184 12.135 439 HE ARG 63 HE ARG 63 5.209 -2.772 10.780 440 HH11 ARG 63 HH12 ARG 63 6.572 -1.561 13.771 441 HH12 ARG 63 HH11 ARG 63 5.684 -2.680 14.767 442 HH21 ARG 63 HH22 ARG 63 4.044 -4.242 12.100 443 HH22 ARG 63 HH21 ARG 63 4.257 -4.177 13.827 444 H PHE 64 H PHE 64 2.179 0.616 8.508 445 HA PHE 64 HA PHE 64 2.853 1.571 5.831 446 HB2 PHE 64 HB2 PHE 64 0.814 0.343 5.936 447 HB3 PHE 64 HB3 PHE 64 0.236 1.287 7.302 448 HD1 PHE 64 HD1 PHE 64 1.789 2.525 4.155 449 HD2 PHE 64 HD2 PHE 64 -1.737 2.191 6.507 450 HE1 PHE 64 HE1 PHE 64 0.627 4.074 2.634 451 HE2 PHE 64 HE2 PHE 64 -2.898 3.724 4.986 452 HZ PHE 64 HZ PHE 64 -1.722 4.664 3.044 453 H HIS 65 H HIS 65 3.249 3.600 5.357 454 HA HIS 65 HA HIS 65 2.503 5.683 7.312 455 HB2 HIS 65 HB2 HIS 65 5.073 4.979 6.565 456 HB3 HIS 65 HB3 HIS 65 4.721 6.349 5.519 457 HD1 HIS 65 HD1 HIS 65 3.607 8.477 7.050 458 HD2 HIS 65 HD2 HIS 65 6.153 5.756 8.890 459 HE1 HIS 65 HE1 HIS 65 4.459 9.634 9.107 460 HE2 HIS 65 HE2 HIS 65 6.151 8.044 10.094 461 HA PRO 66 HA PRO 66 0.112 6.485 3.428 462 HB2 PRO 66 HB2 PRO 66 -1.655 8.114 4.799 463 HB3 PRO 66 HB3 PRO 66 -1.871 6.391 4.524 464 HG2 PRO 66 HG2 PRO 66 -0.852 7.805 6.936 465 HG3 PRO 66 HG3 PRO 66 -1.916 6.392 6.828 466 HD2 PRO 66 HD2 PRO 66 0.682 6.144 7.447 467 HD3 PRO 66 HD3 PRO 66 -0.145 4.936 6.440 468 H LYS 67 H LYS 67 0.990 8.655 5.953 469 HA LYS 67 HA LYS 67 1.619 10.725 3.952 470 HB2 LYS 67 HB2 LYS 67 0.704 11.213 6.798 471 HB3 LYS 67 HB3 LYS 67 1.048 12.442 5.593 472 HG2 LYS 67 HG2 LYS 67 -1.228 12.393 5.491 473 HG3 LYS 67 HG3 LYS 67 -0.840 11.187 4.265 474 HD2 LYS 67 HD2 LYS 67 -1.319 9.399 5.722 475 HD3 LYS 67 HD3 LYS 67 -1.359 10.458 7.131 476 HE2 LYS 67 HE2 LYS 67 -3.288 10.719 4.840 477 HE3 LYS 67 HE3 LYS 67 -3.598 9.681 6.231 478 HZ1 LYS 67 HZ1 LYS 67 -3.405 11.618 7.668 479 HZ2 LYS 67 HZ2 LYS 67 -4.627 11.842 6.516 480 HZ3 LYS 67 HZ3 LYS 67 -3.130 12.616 6.326 481 H GLU 68 H GLU 68 3.753 9.801 3.881 482 HA GLU 68 HA GLU 68 5.379 9.522 6.155 483 HB2 GLU 68 HB2 GLU 68 6.092 8.409 4.184 484 HB3 GLU 68 HB3 GLU 68 6.097 9.910 3.260 485 HG2 GLU 68 HG2 GLU 68 8.246 10.152 3.751 486 HG3 GLU 68 HG3 GLU 68 7.786 10.366 5.431 487 H GLY 69 H GLY 69 6.103 10.981 7.466 488 HA2 GLY 69 HA3 GLY 69 6.753 12.985 8.356 489 HA3 GLY 69 HA2 GLY 69 7.836 12.980 6.974 490 H ALA 70 H ALA 70 7.904 15.035 6.465 491 HA ALA 70 HA ALA 70 5.519 16.672 6.335 492 HB1 ALA 70 HB1 ALA 70 7.612 17.615 7.178 493 HB2 ALA 70 HB2 ALA 70 8.379 17.311 5.618 494 HB3 ALA 70 HB3 ALA 70 7.057 18.472 5.739 495 H ALA 71 H ALA 71 6.972 14.456 4.337 496 HA ALA 71 HA ALA 71 6.561 15.842 1.840 497 HB1 ALA 71 HB1 ALA 71 8.348 14.189 2.043 498 HB2 ALA 71 HB2 ALA 71 7.163 12.932 2.400 499 HB3 ALA 71 HB3 ALA 71 7.184 13.702 0.812 500 H GLU 72 H GLU 72 4.795 13.865 4.010 501 HA GLU 72 HA GLU 72 2.733 12.934 4.024 502 HB2 GLU 72 HB2 GLU 72 2.218 15.228 2.129 503 HB3 GLU 72 HB3 GLU 72 0.951 14.229 2.829 504 HG2 GLU 72 HG2 GLU 72 1.635 14.925 5.067 505 HG3 GLU 72 HG3 GLU 72 2.908 15.923 4.365 506 H GLN 73 H GLN 73 4.423 11.524 2.497 507 HA GLN 73 HA GLN 73 2.840 10.836 0.119 508 HB2 GLN 73 HB2 GLN 73 5.799 10.537 0.623 509 HB3 GLN 73 HB3 GLN 73 4.964 9.778 -0.728 510 HG2 GLN 73 HG2 GLN 73 4.228 12.029 -1.463 511 HG3 GLN 73 HG3 GLN 73 5.224 12.724 -0.185 512 HE21 GLN 73 HE21 GLN 73 5.219 11.032 -3.218 513 HE22 GLN 73 HE22 GLN 73 6.885 11.310 -3.607 514 HA PRO 74 HA PRO 74 2.012 7.067 2.249 515 HB2 PRO 74 HB2 PRO 74 0.716 5.804 0.252 516 HB3 PRO 74 HB3 PRO 74 -0.014 7.134 1.157 517 HG2 PRO 74 HG2 PRO 74 1.313 7.184 -1.530 518 HG3 PRO 74 HG3 PRO 74 -0.185 7.977 -1.007 519 HD2 PRO 74 HD2 PRO 74 2.194 9.283 -1.175 520 HD3 PRO 74 HD3 PRO 74 0.940 9.719 0.003 521 H ILE 75 H ILE 75 3.787 5.923 2.623 522 HA ILE 75 HA ILE 75 4.705 4.169 0.471 523 HB ILE 75 HB ILE 75 6.991 4.512 0.805 524 HG12 ILE 75 HG13 ILE 75 7.562 6.328 2.751 525 HG13 ILE 75 3HG1 ILE 75 6.199 5.478 3.477 526 HG21 ILE 75 HG21 ILE 75 7.367 6.949 0.603 527 HG22 ILE 75 HG22 ILE 75 6.069 6.346 -0.428 528 HG23 ILE 75 HG23 ILE 75 5.681 7.209 1.061 529 HD11 ILE 75 HD11 ILE 75 8.741 4.219 2.464 530 HD12 ILE 75 HD12 ILE 75 8.293 4.471 4.153 531 HD13 ILE 75 HD13 ILE 75 7.369 3.350 3.151 532 H LEU 76 H LEU 76 5.190 2.136 1.118 533 HA LEU 76 HA LEU 76 4.579 1.525 3.928 534 HB2 LEU 76 HB2 LEU 76 2.973 0.676 2.283 535 HB3 LEU 76 HB3 LEU 76 4.258 -0.146 1.433 536 HG LEU 76 HG LEU 76 2.639 -1.439 3.039 537 HD11 LEU 76 HD11 LEU 76 4.466 -2.457 1.793 538 HD12 LEU 76 HD12 LEU 76 5.616 -1.909 3.013 539 HD13 LEU 76 HD13 LEU 76 4.386 -3.102 3.433 540 HD21 LEU 76 HD21 LEU 76 4.783 -0.534 4.943 541 HD22 LEU 76 HD22 LEU 76 3.096 -0.012 4.976 542 HD23 LEU 76 HD23 LEU 76 3.503 -1.699 5.270 543 H ARG 77 H ARG 77 6.224 0.792 5.148 544 HA ARG 77 HA ARG 77 8.471 -0.472 3.737 545 HB2 ARG 77 HB2 ARG 77 10.045 0.568 5.077 546 HB3 ARG 77 HB3 ARG 77 8.866 1.843 4.842 547 HG2 ARG 77 HG2 ARG 77 8.870 0.087 7.276 548 HG3 ARG 77 HG3 ARG 77 9.818 1.562 7.164 549 HD2 ARG 77 HD2 ARG 77 6.827 1.272 7.093 550 HD3 ARG 77 HD3 ARG 77 7.814 2.121 8.279 551 HE ARG 77 HE ARG 77 7.235 3.037 5.553 552 HH11 ARG 77 HH12 ARG 77 8.551 3.651 8.747 553 HH12 ARG 77 HH11 ARG 77 8.701 5.371 8.480 554 HH21 ARG 77 HH22 ARG 77 7.442 5.283 5.216 555 HH22 ARG 77 HH21 ARG 77 8.090 6.295 6.468 556 H ALA 78 H ALA 78 9.287 -2.311 4.560 557 HA ALA 78 HA ALA 78 8.472 -3.356 7.122 558 HB1 ALA 78 HB1 ALA 78 7.417 -5.381 6.223 559 HB2 ALA 78 HB2 ALA 78 6.520 -3.936 5.762 560 HB3 ALA 78 HB3 ALA 78 7.567 -4.735 4.588 561 H ARG 79 H ARG 79 9.442 -5.619 7.394 562 HA ARG 79 HA ARG 79 12.140 -5.560 6.331 563 HB2 ARG 79 HB2 ARG 79 11.083 -7.771 8.066 564 HB3 ARG 79 HB3 ARG 79 12.718 -7.144 7.963 565 HG2 ARG 79 HG2 ARG 79 10.355 -5.945 9.379 566 HG3 ARG 79 HG3 ARG 79 11.885 -6.494 10.065 567 HD2 ARG 79 HD2 ARG 79 13.048 -4.687 8.862 568 HD3 ARG 79 HD3 ARG 79 11.489 -4.151 8.233 569 HE ARG 79 HE ARG 79 10.882 -3.826 10.667 570 HH11 ARG 79 HH12 ARG 79 14.178 -3.561 9.520 571 HH12 ARG 79 HH11 ARG 79 14.618 -2.349 10.686 572 HH21 ARG 79 HH22 ARG 79 11.436 -2.262 12.187 573 HH22 ARG 79 HH21 ARG 79 13.045 -1.597 12.204 574 H LEU 80 H LEU 80 12.513 -6.463 4.435 575 HA LEU 80 HA LEU 80 10.749 -8.604 3.530 576 HB2 LEU 80 HB2 LEU 80 12.358 -6.511 2.197 577 HB3 LEU 80 HB3 LEU 80 12.226 -8.047 1.362 578 HG LEU 80 HG LEU 80 9.898 -7.860 1.148 579 HD11 LEU 80 HD11 LEU 80 9.986 -5.583 3.090 580 HD12 LEU 80 HD12 LEU 80 8.559 -6.102 2.189 581 HD13 LEU 80 HD13 LEU 80 9.303 -7.190 3.361 582 HD21 LEU 80 HD21 LEU 80 11.108 -5.152 0.733 583 HD22 LEU 80 HD22 LEU 80 11.048 -6.481 -0.427 584 HD23 LEU 80 HD23 LEU 80 9.558 -5.678 0.072 585 H ARG 81 H ARG 81 11.350 -10.580 3.605 586 HA ARG 81 HA ARG 81 14.001 -11.323 4.355 587 HB2 ARG 81 HB2 ARG 81 12.168 -12.568 5.255 588 HB3 ARG 81 HB3 ARG 81 11.543 -12.923 3.652 589 HG2 ARG 81 HG2 ARG 81 14.272 -13.875 4.167 590 HG3 ARG 81 HG3 ARG 81 13.016 -14.629 5.146 591 HD2 ARG 81 HD2 ARG 81 11.756 -14.906 2.908 592 HD3 ARG 81 HD3 ARG 81 13.328 -14.575 2.170 593 HE ARG 81 HE ARG 81 14.040 -16.653 2.782 594 HH11 ARG 81 HH12 ARG 81 11.063 -15.936 4.506 595 HH12 ARG 81 HH11 ARG 81 10.849 -17.569 5.055 596 HH21 ARG 81 HH22 ARG 81 13.742 -18.802 3.505 597 HH22 ARG 81 HH21 ARG 81 12.360 -19.189 4.489 598 H ASP 82 H ASP 82 15.559 -12.348 3.215 599 HA ASP 82 HA ASP 82 15.308 -12.136 0.301 600 HB2 ASP 82 HB2 ASP 82 17.623 -11.920 0.180 601 HB3 ASP 82 HB3 ASP 82 17.243 -11.091 1.687 602 H CYS 83 H CYS 83 16.828 -13.883 -0.817 603 HA CYS 83 HA CYS 83 15.492 -16.329 -0.512 604 HB2 CYS 83 HB2 CYS 83 16.556 -15.540 -2.613 605 HB3 CYS 83 HB3 CYS 83 18.133 -15.838 -1.893 606 HG CYS 83 HG CYS 83 16.778 -18.636 -1.466 607 H ASN 84 H ASN 84 18.287 -15.078 1.109 608 HA ASN 84 HA ASN 84 19.336 -17.655 1.858 609 HB2 ASN 84 HB2 ASN 84 20.850 -15.760 1.717 610 HB3 ASN 84 HB3 ASN 84 19.920 -14.887 2.929 611 HD21 ASN 84 HD21 ASN 84 22.142 -17.510 2.355 612 HD22 ASN 84 HD22 ASN 84 22.606 -17.735 4.012 613 H GLY 85 H GLY 85 17.049 -15.376 3.166 614 HA2 GLY 85 HA3 GLY 85 15.319 -16.293 4.618 615 HA3 GLY 85 HA2 GLY 85 16.558 -17.283 5.371 616 H GLU 86 H GLU 86 17.000 -13.893 4.593 617 HA GLU 86 HA GLU 86 17.008 -13.329 7.492 618 HB2 GLU 86 HB2 GLU 86 18.788 -11.779 7.220 619 HB3 GLU 86 HB3 GLU 86 19.270 -13.220 6.346 620 HG2 GLU 86 HG2 GLU 86 18.785 -12.205 4.249 621 HG3 GLU 86 HG3 GLU 86 18.030 -10.820 5.037 622 H PHE 87 H PHE 87 17.076 -10.565 7.364 623 HA PHE 87 HA PHE 87 14.810 -9.845 5.658 624 HB2 PHE 87 HB2 PHE 87 13.598 -8.786 7.520 625 HB3 PHE 87 HB3 PHE 87 13.773 -10.517 7.764 626 HD1 PHE 87 HD2 PHE 87 15.404 -11.363 9.440 627 HD2 PHE 87 HD1 PHE 87 14.501 -7.226 9.035 628 HE1 PHE 87 HE2 PHE 87 16.351 -10.942 11.671 629 HE2 PHE 87 HE1 PHE 87 15.446 -6.796 11.265 630 HZ PHE 87 HZ PHE 87 16.372 -8.655 12.586 631 H HIS 88 H HIS 88 14.681 -7.875 5.006 632 HA HIS 88 HA HIS 88 16.604 -5.890 5.977 633 HB2 HIS 88 HB2 HIS 88 16.417 -7.098 3.272 634 HB3 HIS 88 HB3 HIS 88 16.664 -5.370 3.348 635 HD1 HIS 88 HD1 HIS 88 18.847 -4.616 4.796 636 HD2 HIS 88 HD2 HIS 88 18.666 -8.579 3.534 637 HE1 HIS 88 HE1 HIS 88 21.208 -5.491 4.951 638 HE2 HIS 88 HE2 HIS 88 21.091 -7.864 4.098 639 H ASP 89 H ASP 89 15.517 -4.095 6.446 640 HA ASP 89 HA ASP 89 12.787 -3.786 5.835 641 HB2 ASP 89 HB2 ASP 89 12.943 -1.615 6.893 642 HB3 ASP 89 HB3 ASP 89 13.871 -2.782 7.823 643 H ARG 90 H ARG 90 11.978 -3.415 3.907 644 HA ARG 90 HA ARG 90 13.396 -1.508 2.158 645 HB2 ARG 90 HB2 ARG 90 11.528 -3.767 1.406 646 HB3 ARG 90 HB3 ARG 90 12.247 -2.630 0.274 647 HG2 ARG 90 HG2 ARG 90 13.729 -4.609 1.995 648 HG3 ARG 90 HG3 ARG 90 13.453 -4.726 0.255 649 HD2 ARG 90 HD2 ARG 90 14.762 -2.720 -0.116 650 HD3 ARG 90 HD3 ARG 90 14.985 -2.517 1.622 651 HE ARG 90 HE ARG 90 15.961 -4.979 0.374 652 HH11 ARG 90 HH12 ARG 90 16.628 -1.883 1.834 653 HH12 ARG 90 HH11 ARG 90 18.313 -2.204 2.093 654 HH21 ARG 90 HH22 ARG 90 18.183 -5.436 0.703 655 HH22 ARG 90 HH21 ARG 90 19.209 -4.217 1.418 656 H ASP 91 H ASP 91 11.706 -0.495 0.557 657 HA ASP 91 HA ASP 91 9.233 0.147 1.958 658 HB2 ASP 91 HB2 ASP 91 9.592 2.569 1.619 659 HB3 ASP 91 HB3 ASP 91 10.805 1.881 2.695 660 H VAL 92 H VAL 92 7.637 0.972 0.591 661 HA VAL 92 HA VAL 92 8.284 0.954 -2.259 662 HB VAL 92 HB VAL 92 7.379 -1.257 -1.627 663 HG11 VAL 92 HG11 VAL 92 5.005 -1.507 -1.104 664 HG12 VAL 92 HG12 VAL 92 5.862 -0.616 0.154 665 HG13 VAL 92 HG13 VAL 92 4.849 0.247 -1.003 666 HG21 VAL 92 HG21 VAL 92 7.183 -0.445 -3.875 667 HG22 VAL 92 HG22 VAL 92 5.766 -1.401 -3.438 668 HG23 VAL 92 HG23 VAL 92 5.664 0.360 -3.477 669 H ASN 93 H ASN 93 7.123 2.287 -3.494 670 HA ASN 93 HA ASN 93 5.838 4.477 -2.109 671 HB2 ASN 93 HB2 ASN 93 6.679 3.980 -4.952 672 HB3 ASN 93 HB3 ASN 93 5.643 5.342 -4.550 673 HD21 ASN 93 HD21 ASN 93 8.802 3.918 -4.122 674 HD22 ASN 93 HD22 ASN 93 9.589 5.354 -3.554 675 H LEU 94 H LEU 94 3.773 4.260 -1.521 676 HA LEU 94 HA LEU 94 2.000 2.522 -2.986 677 HB2 LEU 94 HB2 LEU 94 1.456 4.334 -0.636 678 HB3 LEU 94 HB3 LEU 94 0.300 3.207 -1.319 679 HG LEU 94 HG LEU 94 2.716 2.670 0.348 680 HD11 LEU 94 HD11 LEU 94 0.494 2.784 1.356 681 HD12 LEU 94 HD12 LEU 94 -0.055 1.498 0.280 682 HD13 LEU 94 HD13 LEU 94 1.191 1.171 1.485 683 HD21 LEU 94 HD21 LEU 94 3.082 1.339 -1.681 684 HD22 LEU 94 HD22 LEU 94 2.704 0.327 -0.286 685 HD23 LEU 94 HD23 LEU 94 1.471 0.644 -1.505 686 H ASN 95 H ASN 95 3.068 5.526 -3.579 687 HA ASN 95 HA ASN 95 0.786 6.996 -4.300 688 HB2 ASN 95 HB2 ASN 95 3.462 7.087 -5.717 689 HB3 ASN 95 HB3 ASN 95 2.248 8.358 -5.667 690 HD21 ASN 95 HD21 ASN 95 4.843 6.826 -4.034 691 HD22 ASN 95 HD22 ASN 95 4.945 7.913 -2.707 692 H ARG 96 H ARG 96 2.106 4.178 -5.560 693 HA ARG 96 HA ARG 96 1.411 4.355 -8.294 694 HB2 ARG 96 HB2 ARG 96 1.963 2.107 -6.386 695 HB3 ARG 96 HB3 ARG 96 1.336 1.754 -7.985 696 HG2 ARG 96 HG2 ARG 96 3.793 1.555 -7.780 697 HG3 ARG 96 HG3 ARG 96 3.265 2.680 -9.027 698 HD2 ARG 96 HD2 ARG 96 3.855 3.752 -6.313 699 HD3 ARG 96 HD3 ARG 96 5.206 3.280 -7.347 700 HE ARG 96 HE ARG 96 3.184 5.305 -8.054 701 HH11 ARG 96 HH12 ARG 96 6.420 3.984 -8.253 702 HH12 ARG 96 HH11 ARG 96 7.024 5.275 -9.258 703 HH21 ARG 96 HH22 ARG 96 3.948 6.992 -9.353 704 HH22 ARG 96 HH21 ARG 96 5.607 6.999 -9.884 705 H ILE 97 H ILE 97 -0.368 3.800 -5.402 706 HA ILE 97 HA ILE 97 -2.620 2.537 -6.690 707 HB ILE 97 HB ILE 97 -2.351 3.609 -3.879 708 HG12 ILE 97 HG13 ILE 97 -2.216 0.706 -4.556 709 HG13 ILE 97 3HG1 ILE 97 -0.790 1.695 -4.865 710 HG21 ILE 97 HG21 ILE 97 -4.326 1.670 -5.083 711 HG22 ILE 97 HG22 ILE 97 -4.211 2.092 -3.374 712 HG23 ILE 97 HG23 ILE 97 -4.670 3.317 -4.554 713 HD11 ILE 97 HD11 ILE 97 -0.729 2.362 -2.541 714 HD12 ILE 97 HD12 ILE 97 -2.184 1.414 -2.217 715 HD13 ILE 97 HD13 ILE 97 -0.691 0.603 -2.694 716 H GLN 98 H GLN 98 -4.252 3.531 -7.578 717 HA GLN 98 HA GLN 98 -4.717 6.373 -6.955 718 HB2 GLN 98 HB2 GLN 98 -3.994 5.286 -9.407 719 HB3 GLN 98 HB3 GLN 98 -5.738 5.453 -9.535 720 HG2 GLN 98 HG2 GLN 98 -3.838 7.670 -8.798 721 HG3 GLN 98 HG3 GLN 98 -4.516 7.402 -10.401 722 HE21 GLN 98 HE21 GLN 98 -6.694 7.837 -10.762 723 HE22 GLN 98 HE22 GLN 98 -7.638 8.785 -9.669 724 H ASN 99 H ASN 99 -6.975 7.041 -7.203 725 HA ASN 99 HA ASN 99 -8.794 4.889 -6.368 726 HB2 ASN 99 HB2 ASN 99 -8.694 6.613 -4.729 727 HB3 ASN 99 HB3 ASN 99 -8.818 7.880 -5.946 728 HD21 ASN 99 HD21 ASN 99 -10.806 8.422 -6.772 729 HD22 ASN 99 HD22 ASN 99 -12.285 7.874 -6.072 730 H VAL 100 H VAL 100 -10.139 4.148 -7.862 731 HA VAL 100 HA VAL 100 -10.938 5.954 -10.052 732 HB VAL 100 HB VAL 100 -10.887 2.927 -10.079 733 HG11 VAL 100 HG11 VAL 100 -11.314 3.171 -12.490 734 HG12 VAL 100 HG12 VAL 100 -12.630 3.827 -11.516 735 HG13 VAL 100 HG13 VAL 100 -11.469 4.914 -12.276 736 HG21 VAL 100 HG21 VAL 100 -8.636 3.831 -10.063 737 HG22 VAL 100 HG22 VAL 100 -9.018 3.184 -11.657 738 HG23 VAL 100 HG23 VAL 100 -9.042 4.926 -11.385 739 H ASN 101 H ASN 101 -12.731 6.862 -9.171 740 HA ASN 101 HA ASN 101 -14.909 7.110 -8.628 741 HB2 ASN 101 HB2 ASN 101 -15.114 5.635 -10.706 742 HB3 ASN 101 HB3 ASN 101 -15.391 4.295 -9.599 743 HD21 ASN 101 HD21 ASN 101 -16.653 7.280 -10.867 744 HD22 ASN 101 HD22 ASN 101 -18.278 7.059 -10.318 745 H GLY 102 H GLY 102 -12.956 5.729 -6.778 746 HA2 GLY 102 HA3 GLY 102 -13.499 5.573 -4.429 747 HA3 GLY 102 HA2 GLY 102 -15.014 4.817 -4.883 748 H ARG 103 H ARG 103 -12.047 3.840 -6.434 749 HA ARG 103 HA ARG 103 -11.927 1.491 -4.689 750 HB2 ARG 103 HB2 ARG 103 -11.787 -0.028 -6.495 751 HB3 ARG 103 HB3 ARG 103 -13.156 1.017 -6.842 752 HG2 ARG 103 HG2 ARG 103 -11.698 2.335 -8.357 753 HG3 ARG 103 HG3 ARG 103 -10.417 1.151 -8.079 754 HD2 ARG 103 HD2 ARG 103 -11.615 0.677 -10.147 755 HD3 ARG 103 HD3 ARG 103 -11.849 -0.614 -8.968 756 HE ARG 103 HE ARG 103 -13.892 1.461 -9.084 757 HH11 ARG 103 HH12 ARG 103 -12.890 -1.784 -9.974 758 HH12 ARG 103 HH11 ARG 103 -14.515 -2.326 -10.296 759 HH21 ARG 103 HH22 ARG 103 -16.016 0.747 -9.501 760 HH22 ARG 103 HH21 ARG 103 -16.290 -0.897 -10.000 761 H LEU 104 H LEU 104 -9.907 0.756 -4.211 762 HA LEU 104 HA LEU 104 -7.681 2.442 -4.994 763 HB2 LEU 104 HB2 LEU 104 -7.848 0.096 -3.093 764 HB3 LEU 104 HB3 LEU 104 -6.397 1.037 -3.379 765 HG LEU 104 HG LEU 104 -8.961 2.033 -2.145 766 HD11 LEU 104 HD11 LEU 104 -6.206 1.640 -0.989 767 HD12 LEU 104 HD12 LEU 104 -7.603 2.308 -0.143 768 HD13 LEU 104 HD13 LEU 104 -7.615 0.625 -0.674 769 HD21 LEU 104 HD21 LEU 104 -7.930 3.758 -3.525 770 HD22 LEU 104 HD22 LEU 104 -7.776 4.136 -1.809 771 HD23 LEU 104 HD23 LEU 104 -6.392 3.506 -2.702 772 H VAL 105 H VAL 105 -6.541 2.025 -6.761 773 HA VAL 105 HA VAL 105 -6.097 -0.786 -7.505 774 HB VAL 105 HB VAL 105 -7.692 0.194 -9.077 775 HG11 VAL 105 HG11 VAL 105 -7.093 2.539 -8.878 776 HG12 VAL 105 HG12 VAL 105 -5.547 2.230 -9.668 777 HG13 VAL 105 HG13 VAL 105 -7.051 2.031 -10.567 778 HG21 VAL 105 HG21 VAL 105 -6.498 -0.297 -11.162 779 HG22 VAL 105 HG22 VAL 105 -4.963 -0.218 -10.297 780 HG23 VAL 105 HG23 VAL 105 -6.134 -1.479 -9.904 781 H PHE 106 H PHE 106 -4.038 -1.354 -7.792 782 HA PHE 106 HA PHE 106 -1.992 0.660 -7.367 783 HB2 PHE 106 HB2 PHE 106 -0.502 -1.127 -6.921 784 HB3 PHE 106 HB3 PHE 106 -2.038 -1.637 -6.229 785 HD1 PHE 106 HD1 PHE 106 -3.560 -3.022 -7.957 786 HD2 PHE 106 HD2 PHE 106 0.678 -2.656 -8.129 787 HE1 PHE 106 HE1 PHE 106 -3.437 -5.090 -9.281 788 HE2 PHE 106 HE2 PHE 106 0.806 -4.723 -9.454 789 HZ PHE 106 HZ PHE 106 -1.253 -5.941 -10.034 790 H GLN 107 H GLN 107 -0.374 1.194 -8.843 791 HA GLN 107 HA GLN 107 -0.829 0.242 -11.588 792 HB2 GLN 107 HB2 GLN 107 -1.353 2.625 -11.296 793 HB3 GLN 107 HB3 GLN 107 0.267 2.909 -10.672 794 HG2 GLN 107 HG2 GLN 107 1.195 2.196 -12.839 795 HG3 GLN 107 HG3 GLN 107 -0.447 2.011 -13.454 796 HE21 GLN 107 HE21 GLN 107 -0.092 3.545 -15.053 797 HE22 GLN 107 HE22 GLN 107 -0.036 5.241 -14.704 Start of MODEL 26 1 H MET 1 H MET 1 -3.643 12.020 -8.926 2 HA MET 1 HA MET 1 -0.742 11.676 -9.367 3 HB2 MET 1 HB2 MET 1 -1.161 13.661 -8.111 4 HB3 MET 1 HB3 MET 1 -2.392 12.873 -7.138 5 HG2 MET 1 HG2 MET 1 -0.316 13.258 -5.900 6 HG3 MET 1 HG3 MET 1 -0.721 11.545 -6.015 7 HE1 MET 1 HE1 MET 1 2.146 12.552 -5.115 8 HE2 MET 1 HE2 MET 1 1.705 10.853 -5.281 9 HE3 MET 1 HE3 MET 1 3.178 11.458 -6.035 10 H SER 2 H SER 2 -2.914 10.935 -6.640 11 HA SER 2 HA SER 2 -2.639 8.092 -7.034 12 HB2 SER 2 HB2 SER 2 -1.474 9.276 -4.504 13 HB3 SER 2 HB3 SER 2 -1.420 7.595 -5.031 14 HG SER 2 HG SER 2 -0.211 8.551 -6.919 15 H TYR 3 H TYR 3 -3.592 6.979 -4.944 16 HA TYR 3 HA TYR 3 -6.207 7.945 -4.600 17 HB2 TYR 3 HB2 TYR 3 -6.529 6.117 -3.125 18 HB3 TYR 3 HB3 TYR 3 -5.332 5.561 -4.285 19 HD1 TYR 3 HD2 TYR 3 -2.838 5.745 -3.548 20 HD2 TYR 3 HD1 TYR 3 -6.122 5.924 -0.854 21 HE1 TYR 3 HE2 TYR 3 -1.338 5.159 -1.689 22 HE2 TYR 3 HE1 TYR 3 -4.642 5.351 1.013 23 HH TYR 3 HH TYR 3 -2.470 4.205 1.355 24 H ALA 4 H ALA 4 -3.280 8.296 -2.723 25 HA ALA 4 HA ALA 4 -4.207 9.309 -0.334 26 HB1 ALA 4 HB1 ALA 4 -2.005 10.251 -0.027 27 HB2 ALA 4 HB2 ALA 4 -1.883 8.660 -0.777 28 HB3 ALA 4 HB3 ALA 4 -1.678 10.114 -1.754 29 H ASP 5 H ASP 5 -4.059 10.881 -3.424 30 HA ASP 5 HA ASP 5 -4.013 13.567 -2.748 31 HB2 ASP 5 HB2 ASP 5 -3.958 12.771 -5.063 32 HB3 ASP 5 HB3 ASP 5 -5.617 12.201 -4.926 33 H SER 6 H SER 6 -6.626 11.242 -2.552 34 HA SER 6 HA SER 6 -8.215 13.241 -1.106 35 HB2 SER 6 HB2 SER 6 -9.284 11.406 -3.260 36 HB3 SER 6 HB3 SER 6 -10.261 12.469 -2.250 37 HG SER 6 HG SER 6 -8.133 13.583 -3.706 38 H SER 7 H SER 7 -6.589 11.130 -0.056 39 HA SER 7 HA SER 7 -8.657 9.308 0.992 40 HB2 SER 7 HB2 SER 7 -5.711 8.825 0.570 41 HB3 SER 7 HB3 SER 7 -6.760 7.739 1.483 42 HG SER 7 HG SER 7 -7.197 8.526 -1.211 43 H ARG 8 H ARG 8 -8.456 8.595 3.149 44 HA ARG 8 HA ARG 8 -6.713 9.988 4.982 45 HB2 ARG 8 HB2 ARG 8 -8.370 11.091 6.257 46 HB3 ARG 8 HB3 ARG 8 -8.761 11.492 4.591 47 HG2 ARG 8 HG2 ARG 8 -10.210 9.197 5.039 48 HG3 ARG 8 HG3 ARG 8 -10.315 10.053 6.576 49 HD2 ARG 8 HD2 ARG 8 -12.152 10.707 5.139 50 HD3 ARG 8 HD3 ARG 8 -11.057 12.071 5.384 51 HE ARG 8 HE ARG 8 -10.945 10.394 2.964 52 HH11 ARG 8 HH12 ARG 8 -11.139 13.534 4.515 53 HH12 ARG 8 HH11 ARG 8 -10.970 14.422 3.025 54 HH21 ARG 8 HH22 ARG 8 -10.693 11.564 1.005 55 HH22 ARG 8 HH21 ARG 8 -10.682 13.302 1.036 56 H ASN 9 H ASN 9 -7.153 9.141 7.236 57 HA ASN 9 HA ASN 9 -7.134 7.340 8.622 58 HB2 ASN 9 HB2 ASN 9 -9.742 7.071 7.162 59 HB3 ASN 9 HB3 ASN 9 -9.264 5.861 8.349 60 HD21 ASN 9 HD21 ASN 9 -9.167 6.404 10.506 61 HD22 ASN 9 HD22 ASN 9 -9.852 7.874 11.134 62 H ALA 10 H ALA 10 -5.560 7.035 6.333 63 HA ALA 10 HA ALA 10 -5.971 4.379 5.268 64 HB1 ALA 10 HB1 ALA 10 -5.023 6.256 3.925 65 HB2 ALA 10 HB2 ALA 10 -3.577 6.183 4.929 66 HB3 ALA 10 HB3 ALA 10 -4.028 4.803 3.927 67 H VAL 11 H VAL 11 -5.478 2.643 6.404 68 HA VAL 11 HA VAL 11 -3.002 2.580 7.978 69 HB VAL 11 HB VAL 11 -5.582 1.479 9.113 70 HG11 VAL 11 HG11 VAL 11 -3.551 0.470 9.972 71 HG12 VAL 11 HG12 VAL 11 -2.906 2.061 10.372 72 HG13 VAL 11 HG13 VAL 11 -4.326 1.447 11.219 73 HG21 VAL 11 HG21 VAL 11 -5.858 3.890 8.953 74 HG22 VAL 11 HG22 VAL 11 -5.661 3.398 10.635 75 HG23 VAL 11 HG23 VAL 11 -4.314 4.135 9.768 76 H LEU 12 H LEU 12 -2.335 0.346 8.465 77 HA LEU 12 HA LEU 12 -3.158 -1.471 6.327 78 HB2 LEU 12 HB2 LEU 12 -0.672 -0.860 7.550 79 HB3 LEU 12 HB3 LEU 12 -1.043 -2.528 7.936 80 HG LEU 12 HG LEU 12 -1.161 -3.127 5.626 81 HD11 LEU 12 HD11 LEU 12 -2.293 -1.143 4.781 82 HD12 LEU 12 HD12 LEU 12 -0.826 -0.193 5.015 83 HD13 LEU 12 HD13 LEU 12 -0.852 -1.497 3.829 84 HD21 LEU 12 HD21 LEU 12 1.200 -1.334 6.167 85 HD22 LEU 12 HD22 LEU 12 1.072 -3.051 6.534 86 HD23 LEU 12 HD23 LEU 12 1.104 -2.511 4.856 87 H THR 13 H THR 13 -4.056 -3.417 6.694 88 HA THR 13 HA THR 13 -4.718 -4.137 9.471 89 HB THR 13 HB THR 13 -6.448 -4.669 7.042 90 HG1 THR 13 HG1 THR 13 -6.861 -2.593 8.960 91 HG21 THR 13 HG21 THR 13 -7.088 -4.653 9.998 92 HG22 THR 13 HG22 THR 13 -6.855 -6.094 9.007 93 HG23 THR 13 HG23 THR 13 -8.217 -5.016 8.693 94 H ASN 14 H ASN 14 -5.212 -6.490 9.701 95 HA ASN 14 HA ASN 14 -4.841 -8.719 9.389 96 HB2 ASN 14 HB2 ASN 14 -5.339 -7.857 6.892 97 HB3 ASN 14 HB3 ASN 14 -3.673 -8.378 6.687 98 HD21 ASN 14 HD21 ASN 14 -3.831 -10.556 8.601 99 HD22 ASN 14 HD22 ASN 14 -4.791 -11.789 7.853 100 H GLY 15 H GLY 15 -2.620 -6.441 9.686 101 HA2 GLY 15 HA3 GLY 15 -0.516 -6.786 10.722 102 HA3 GLY 15 HA2 GLY 15 -0.446 -8.384 9.991 103 H GLY 16 H GLY 16 -1.448 -5.764 8.039 104 HA2 GLY 16 HA3 GLY 16 -0.130 -4.373 6.636 105 HA3 GLY 16 HA2 GLY 16 1.240 -5.440 6.908 106 H ARG 17 H ARG 17 -1.868 -6.764 6.227 107 HA ARG 17 HA ARG 17 -0.876 -7.639 3.608 108 HB2 ARG 17 HB2 ARG 17 -3.176 -8.912 5.063 109 HB3 ARG 17 HB3 ARG 17 -2.121 -9.614 3.845 110 HG2 ARG 17 HG2 ARG 17 -0.257 -9.435 5.557 111 HG3 ARG 17 HG3 ARG 17 -1.510 -9.063 6.730 112 HD2 ARG 17 HD2 ARG 17 -0.828 -11.469 6.657 113 HD3 ARG 17 HD3 ARG 17 -2.551 -11.174 6.427 114 HE ARG 17 HE ARG 17 -1.088 -11.360 3.958 115 HH11 ARG 17 HH12 ARG 17 -2.514 -13.282 6.517 116 HH12 ARG 17 HH11 ARG 17 -3.038 -14.551 5.443 117 HH21 ARG 17 HH22 ARG 17 -1.801 -13.016 2.536 118 HH22 ARG 17 HH21 ARG 17 -2.571 -14.424 3.196 119 H THR 18 H THR 18 -3.231 -5.739 5.184 120 HA THR 18 HA THR 18 -4.662 -5.430 2.636 121 HB THR 18 HB THR 18 -5.925 -5.411 5.384 122 HG1 THR 18 HG1 THR 18 -6.270 -7.289 3.249 123 HG21 THR 18 HG21 THR 18 -7.179 -5.160 2.646 124 HG22 THR 18 HG22 THR 18 -7.018 -3.863 3.834 125 HG23 THR 18 HG23 THR 18 -8.050 -5.253 4.177 126 H LEU 19 H LEU 19 -4.657 -3.430 1.919 127 HA LEU 19 HA LEU 19 -3.859 -1.240 3.663 128 HB2 LEU 19 HB2 LEU 19 -2.670 -1.400 1.597 129 HB3 LEU 19 HB3 LEU 19 -4.157 -1.534 0.682 130 HG LEU 19 HG LEU 19 -4.701 0.804 1.248 131 HD11 LEU 19 HD11 LEU 19 -3.518 1.000 3.355 132 HD12 LEU 19 HD12 LEU 19 -1.972 0.794 2.528 133 HD13 LEU 19 HD13 LEU 19 -2.953 2.227 2.222 134 HD21 LEU 19 HD21 LEU 19 -3.558 0.260 -0.827 135 HD22 LEU 19 HD22 LEU 19 -3.007 1.815 -0.196 136 HD23 LEU 19 HD23 LEU 19 -1.999 0.378 -0.012 137 H ARG 20 H ARG 20 -5.504 -0.364 4.757 138 HA ARG 20 HA ARG 20 -8.109 -0.041 3.441 139 HB2 ARG 20 HB2 ARG 20 -7.634 -1.088 5.829 140 HB3 ARG 20 HB3 ARG 20 -7.609 0.597 6.323 141 HG2 ARG 20 HG2 ARG 20 -9.892 -0.780 4.932 142 HG3 ARG 20 HG3 ARG 20 -9.788 -0.458 6.661 143 HD2 ARG 20 HD2 ARG 20 -9.823 1.620 4.479 144 HD3 ARG 20 HD3 ARG 20 -11.193 1.170 5.491 145 HE ARG 20 HE ARG 20 -8.751 2.524 6.446 146 HH11 ARG 20 HH12 ARG 20 -12.098 1.608 6.857 147 HH12 ARG 20 HH11 ARG 20 -12.413 2.791 8.095 148 HH21 ARG 20 HH22 ARG 20 -9.129 4.057 8.102 149 HH22 ARG 20 HH21 ARG 20 -10.716 4.183 8.810 150 H ALA 21 H ALA 21 -8.668 1.929 2.680 151 HA ALA 21 HA ALA 21 -7.724 4.324 4.038 152 HB1 ALA 21 HB1 ALA 21 -6.831 5.347 2.015 153 HB2 ALA 21 HB2 ALA 21 -5.950 3.872 2.415 154 HB3 ALA 21 HB3 ALA 21 -7.142 3.861 1.115 155 H GLU 22 H GLU 22 -9.128 6.040 3.830 156 HA GLU 22 HA GLU 22 -11.605 5.454 2.367 157 HB2 GLU 22 HB2 GLU 22 -11.174 7.738 4.283 158 HB3 GLU 22 HB3 GLU 22 -12.693 7.008 3.782 159 HG2 GLU 22 HG2 GLU 22 -11.683 4.872 4.906 160 HG3 GLU 22 HG3 GLU 22 -10.682 6.056 5.755 161 H CYS 23 H CYS 23 -11.615 6.216 0.356 162 HA CYS 23 HA CYS 23 -10.460 8.886 -0.102 163 HB2 CYS 23 HB2 CYS 23 -9.122 7.039 -1.117 164 HB3 CYS 23 HB3 CYS 23 -10.526 6.606 -2.087 165 HG CYS 23 HG CYS 23 -10.510 8.745 -3.714 166 H ARG 24 H ARG 24 -11.538 10.257 -1.438 167 HA ARG 24 HA ARG 24 -14.361 9.839 -1.669 168 HB2 ARG 24 HB2 ARG 24 -14.314 12.061 -1.450 169 HB3 ARG 24 HB3 ARG 24 -12.568 12.074 -1.645 170 HG2 ARG 24 HG2 ARG 24 -14.392 11.982 -4.017 171 HG3 ARG 24 HG3 ARG 24 -13.993 13.504 -3.216 172 HD2 ARG 24 HD2 ARG 24 -11.786 13.411 -3.850 173 HD3 ARG 24 HD3 ARG 24 -11.789 11.653 -3.987 174 HE ARG 24 HE ARG 24 -13.379 12.207 -5.986 175 HH11 ARG 24 HH12 ARG 24 -10.451 13.862 -4.997 176 HH12 ARG 24 HH11 ARG 24 -10.074 14.443 -6.592 177 HH21 ARG 24 HH22 ARG 24 -12.873 12.973 -8.112 178 HH22 ARG 24 HH21 ARG 24 -11.448 13.938 -8.361 179 H ASN 25 H ASN 25 -15.563 9.634 -3.552 180 HA ASN 25 HA ASN 25 -14.107 8.402 -5.751 181 HB2 ASN 25 HB2 ASN 25 -16.196 7.525 -6.465 182 HB3 ASN 25 HB3 ASN 25 -16.150 7.395 -4.716 183 HD21 ASN 25 HD21 ASN 25 -18.416 7.423 -6.545 184 HD22 ASN 25 HD22 ASN 25 -19.438 8.712 -6.001 185 H ALA 26 H ALA 26 -15.632 8.864 -7.943 186 HA ALA 26 HA ALA 26 -14.711 11.347 -8.873 187 HB1 ALA 26 HB1 ALA 26 -15.197 9.456 -10.351 188 HB2 ALA 26 HB2 ALA 26 -16.918 9.636 -10.014 189 HB3 ALA 26 HB3 ALA 26 -16.049 10.913 -10.865 190 H ASP 27 H ASP 27 -17.669 10.431 -7.306 191 HA ASP 27 HA ASP 27 -19.154 12.782 -8.014 192 HB2 ASP 27 HB2 ASP 27 -20.289 10.689 -7.485 193 HB3 ASP 27 HB3 ASP 27 -19.600 10.694 -5.871 194 H GLY 28 H GLY 28 -16.873 11.945 -5.568 195 HA2 GLY 28 HA3 GLY 28 -15.760 13.675 -4.333 196 HA3 GLY 28 HA2 GLY 28 -17.259 14.596 -4.346 197 H ASN 29 H ASN 29 -18.068 11.469 -3.800 198 HA ASN 29 HA ASN 29 -18.546 11.972 -0.982 199 HB2 ASN 29 HB2 ASN 29 -20.074 10.772 -2.800 200 HB3 ASN 29 HB3 ASN 29 -19.163 9.361 -2.275 201 HD21 ASN 29 HD21 ASN 29 -21.428 11.798 -1.374 202 HD22 ASN 29 HD22 ASN 29 -21.969 11.055 0.101 203 H TRP 30 H TRP 30 -17.719 10.746 0.698 204 HA TRP 30 HA TRP 30 -15.112 9.638 0.239 205 HB2 TRP 30 HB2 TRP 30 -16.782 9.927 2.737 206 HB3 TRP 30 HB3 TRP 30 -15.181 9.192 2.730 207 HD1 TRP 30 HD1 TRP 30 -14.472 11.638 0.367 208 HE1 TRP 30 HE1 TRP 30 -13.656 13.861 1.371 209 HE3 TRP 30 HE3 TRP 30 -16.095 10.993 5.171 210 HZ2 TRP 30 HZ2 TRP 30 -13.688 15.156 3.869 211 HZ3 TRP 30 HZ3 TRP 30 -15.662 12.777 6.809 212 HH2 TRP 30 HH2 TRP 30 -14.484 14.818 6.169 213 H VAL 31 H VAL 31 -14.601 7.607 -0.106 214 HA VAL 31 HA VAL 31 -16.596 5.526 0.508 215 HB VAL 31 HB VAL 31 -14.615 5.344 -1.752 216 HG11 VAL 31 HG11 VAL 31 -15.618 3.262 -0.973 217 HG12 VAL 31 HG12 VAL 31 -17.227 3.933 -1.238 218 HG13 VAL 31 HG13 VAL 31 -16.150 3.658 -2.608 219 HG21 VAL 31 HG21 VAL 31 -16.437 6.001 -3.288 220 HG22 VAL 31 HG22 VAL 31 -17.417 6.445 -1.891 221 HG23 VAL 31 HG23 VAL 31 -15.918 7.314 -2.227 222 H THR 32 H THR 32 -15.870 3.981 1.849 223 HA THR 32 HA THR 32 -13.099 3.965 2.656 224 HB THR 32 HB THR 32 -15.277 2.012 3.424 225 HG1 THR 32 HG1 THR 32 -14.499 4.461 4.702 226 HG21 THR 32 HG21 THR 32 -12.716 2.798 4.808 227 HG22 THR 32 HG22 THR 32 -12.982 1.298 3.921 228 HG23 THR 32 HG23 THR 32 -13.898 1.626 5.394 229 H SER 33 H SER 33 -11.687 3.094 1.246 230 HA SER 33 HA SER 33 -12.488 0.666 -0.211 231 HB2 SER 33 HB2 SER 33 -10.237 2.535 -0.951 232 HB3 SER 33 HB3 SER 33 -11.019 1.325 -1.967 233 HG SER 33 HG SER 33 -12.629 2.667 -2.347 234 H GLU 34 H GLU 34 -11.143 -1.097 -0.260 235 HA GLU 34 HA GLU 34 -8.694 -1.009 1.340 236 HB2 GLU 34 HB2 GLU 34 -10.586 -3.347 1.445 237 HB3 GLU 34 HB3 GLU 34 -9.248 -2.977 2.522 238 HG2 GLU 34 HG2 GLU 34 -10.548 -0.962 3.257 239 HG3 GLU 34 HG3 GLU 34 -11.908 -1.607 2.350 240 H LEU 35 H LEU 35 -7.012 -2.027 0.424 241 HA LEU 35 HA LEU 35 -7.566 -3.914 -1.774 242 HB2 LEU 35 HB2 LEU 35 -6.624 -1.498 -2.351 243 HB3 LEU 35 HB3 LEU 35 -5.109 -2.207 -1.835 244 HG LEU 35 HG LEU 35 -6.836 -3.086 -4.153 245 HD11 LEU 35 HD11 LEU 35 -4.891 -2.510 -5.485 246 HD12 LEU 35 HD12 LEU 35 -5.443 -1.123 -4.546 247 HD13 LEU 35 HD13 LEU 35 -4.019 -2.029 -4.029 248 HD21 LEU 35 HD21 LEU 35 -5.922 -5.075 -3.049 249 HD22 LEU 35 HD22 LEU 35 -5.164 -4.802 -4.616 250 HD23 LEU 35 HD23 LEU 35 -4.303 -4.382 -3.136 251 H ASP 36 H ASP 36 -6.810 -5.821 -1.300 252 HA ASP 36 HA ASP 36 -5.124 -6.310 0.910 253 HB2 ASP 36 HB2 ASP 36 -6.088 -8.026 -1.377 254 HB3 ASP 36 HB3 ASP 36 -5.093 -8.644 -0.074 255 H LEU 37 H LEU 37 -3.101 -5.662 0.901 256 HA LEU 37 HA LEU 37 -1.511 -5.140 -1.354 257 HB2 LEU 37 HB2 LEU 37 -0.674 -5.782 1.468 258 HB3 LEU 37 HB3 LEU 37 0.345 -5.044 0.237 259 HG LEU 37 HG LEU 37 -2.190 -3.829 1.234 260 HD11 LEU 37 HD11 LEU 37 0.622 -3.273 2.071 261 HD12 LEU 37 HD12 LEU 37 -0.838 -2.481 2.670 262 HD13 LEU 37 HD13 LEU 37 -0.563 -4.191 3.004 263 HD21 LEU 37 HD21 LEU 37 -1.366 -1.813 0.206 264 HD22 LEU 37 HD22 LEU 37 0.126 -2.633 -0.265 265 HD23 LEU 37 HD23 LEU 37 -1.411 -3.108 -0.991 266 H ASP 38 H ASP 38 -1.641 -7.841 0.889 267 HA ASP 38 HA ASP 38 0.466 -9.320 -0.244 268 HB2 ASP 38 HB2 ASP 38 -0.196 -11.118 1.115 269 HB3 ASP 38 HB3 ASP 38 -0.652 -9.683 2.027 270 H THR 39 H THR 39 -2.415 -8.474 -1.628 271 HA THR 39 HA THR 39 -2.565 -10.977 -3.159 272 HB THR 39 HB THR 39 -4.593 -9.565 -2.028 273 HG1 THR 39 HG1 THR 39 -4.789 -11.676 -2.746 274 HG21 THR 39 HG21 THR 39 -4.573 -8.837 -4.956 275 HG22 THR 39 HG22 THR 39 -4.411 -7.720 -3.601 276 HG23 THR 39 HG23 THR 39 -5.925 -8.593 -3.848 277 H ILE 40 H ILE 40 -1.295 -7.862 -3.362 278 HA ILE 40 HA ILE 40 -0.826 -8.211 -6.232 279 HB ILE 40 HB ILE 40 -1.255 -5.743 -6.599 280 HG12 ILE 40 HG13 ILE 40 -3.195 -5.032 -4.908 281 HG13 ILE 40 3HG1 ILE 40 -2.267 -6.054 -3.823 282 HG21 ILE 40 HG21 ILE 40 -3.599 -7.516 -5.941 283 HG22 ILE 40 HG22 ILE 40 -3.671 -6.045 -6.912 284 HG23 ILE 40 HG23 ILE 40 -2.743 -7.431 -7.480 285 HD11 ILE 40 HD11 ILE 40 -0.292 -4.687 -4.231 286 HD12 ILE 40 HD12 ILE 40 -1.237 -3.653 -5.305 287 HD13 ILE 40 HD13 ILE 40 -1.634 -3.740 -3.588 288 H ILE 41 H ILE 41 0.586 -7.999 -3.439 289 HA ILE 41 HA ILE 41 2.830 -6.362 -4.430 290 HB ILE 41 HB ILE 41 1.819 -6.576 -1.593 291 HG12 ILE 41 HG13 ILE 41 1.685 -4.488 -3.712 292 HG13 ILE 41 3HG1 ILE 41 0.510 -4.921 -2.476 293 HG21 ILE 41 HG21 ILE 41 3.625 -5.077 -0.956 294 HG22 ILE 41 HG22 ILE 41 4.246 -6.604 -1.592 295 HG23 ILE 41 HG23 ILE 41 4.276 -5.153 -2.597 296 HD11 ILE 41 HD11 ILE 41 1.859 -3.794 -0.792 297 HD12 ILE 41 HD12 ILE 41 3.037 -3.360 -2.032 298 HD13 ILE 41 HD13 ILE 41 1.401 -2.698 -2.097 299 H GLY 42 H GLY 42 4.769 -7.377 -4.416 300 HA2 GLY 42 HA3 GLY 42 4.915 -9.939 -2.956 301 HA3 GLY 42 HA2 GLY 42 5.479 -9.795 -4.612 302 H ASN 43 H ASN 43 7.063 -10.703 -2.503 303 HA ASN 43 HA ASN 43 8.970 -8.485 -2.150 304 HB2 ASN 43 HB2 ASN 43 8.351 -9.237 0.007 305 HB3 ASN 43 HB3 ASN 43 8.399 -10.924 -0.474 306 HD21 ASN 43 HD21 ASN 43 9.716 -11.381 1.289 307 HD22 ASN 43 HD22 ASN 43 11.414 -10.994 1.275 308 H ASN 44 H ASN 44 10.502 -8.554 -3.609 309 HA ASN 44 HA ASN 44 11.438 -11.160 -4.607 310 HB2 ASN 44 HB2 ASN 44 10.560 -9.464 -6.254 311 HB3 ASN 44 HB3 ASN 44 11.908 -8.422 -5.813 312 HD21 ASN 44 HD21 ASN 44 14.037 -9.086 -6.351 313 HD22 ASN 44 HD22 ASN 44 14.313 -10.235 -7.617 314 H ASP 45 H ASP 45 12.820 -11.594 -2.852 315 HA ASP 45 HA ASP 45 14.738 -11.568 -1.626 316 HB2 ASP 45 HB2 ASP 45 15.512 -10.843 -4.374 317 HB3 ASP 45 HB3 ASP 45 16.695 -10.417 -3.144 318 H GLY 46 H GLY 46 13.319 -9.619 -0.566 319 HA2 GLY 46 HA3 GLY 46 13.650 -7.760 0.752 320 HA3 GLY 46 HA2 GLY 46 15.333 -7.768 0.249 321 H HIS 47 H HIS 47 12.431 -7.526 -1.751 322 HA HIS 47 HA HIS 47 12.719 -4.696 -2.161 323 HB2 HIS 47 HB2 HIS 47 14.510 -5.486 -3.629 324 HB3 HIS 47 HB3 HIS 47 13.401 -6.599 -4.420 325 HD1 HIS 47 HD1 HIS 47 13.541 -2.827 -3.822 326 HD2 HIS 47 HD2 HIS 47 12.503 -5.589 -6.755 327 HE1 HIS 47 HE1 HIS 47 12.867 -1.468 -5.829 328 HE2 HIS 47 HE2 HIS 47 12.419 -3.162 -7.643 329 H PHE 48 H PHE 48 10.696 -3.987 -2.324 330 HA PHE 48 HA PHE 48 8.479 -5.681 -2.641 331 HB2 PHE 48 HB2 PHE 48 8.764 -2.689 -2.783 332 HB3 PHE 48 HB3 PHE 48 7.212 -3.494 -2.998 333 HD1 PHE 48 HD1 PHE 48 6.504 -5.121 -1.107 334 HD2 PHE 48 HD2 PHE 48 9.460 -2.090 -0.672 335 HE1 PHE 48 HE1 PHE 48 6.181 -5.166 1.329 336 HE2 PHE 48 HE2 PHE 48 9.146 -2.135 1.770 337 HZ PHE 48 HZ PHE 48 7.506 -3.673 2.771 338 H GLN 49 H GLN 49 7.130 -6.099 -4.297 339 HA GLN 49 HA GLN 49 7.818 -5.045 -6.942 340 HB2 GLN 49 HB2 GLN 49 8.843 -7.131 -7.079 341 HB3 GLN 49 HB3 GLN 49 7.638 -7.903 -6.059 342 HG2 GLN 49 HG2 GLN 49 6.089 -8.048 -7.802 343 HG3 GLN 49 HG3 GLN 49 6.962 -6.884 -8.796 344 HE21 GLN 49 HE21 GLN 49 6.901 -10.159 -7.588 345 HE22 GLN 49 HE22 GLN 49 8.025 -10.807 -8.736 346 H TRP 50 H TRP 50 6.098 -4.029 -7.678 347 HA TRP 50 HA TRP 50 3.485 -4.465 -6.635 348 HB2 TRP 50 HB2 TRP 50 4.524 -2.855 -8.967 349 HB3 TRP 50 HB3 TRP 50 2.804 -2.970 -8.610 350 HD1 TRP 50 HD1 TRP 50 5.806 -0.968 -7.750 351 HE1 TRP 50 HE1 TRP 50 5.286 0.620 -5.781 352 HE3 TRP 50 HE3 TRP 50 1.363 -2.983 -6.226 353 HZ2 TRP 50 HZ2 TRP 50 3.272 0.962 -3.850 354 HZ3 TRP 50 HZ3 TRP 50 0.207 -1.967 -4.308 355 HH2 TRP 50 HH2 TRP 50 1.139 -0.038 -3.144 356 H GLY 51 H GLY 51 2.255 -6.119 -7.070 357 HA2 GLY 51 HA3 GLY 51 0.910 -7.391 -8.561 358 HA3 GLY 51 HA2 GLY 51 2.102 -7.124 -9.828 359 H GLY 52 H GLY 52 2.938 -8.101 -6.575 360 HA2 GLY 52 HA3 GLY 52 4.007 -10.587 -7.702 361 HA3 GLY 52 HA2 GLY 52 4.536 -9.832 -6.208 362 H GLN 53 H GLN 53 2.293 -9.483 -4.790 363 HA GLN 53 HA GLN 53 0.756 -10.452 -3.456 364 HB2 GLN 53 HB2 GLN 53 -0.649 -11.111 -5.152 365 HB3 GLN 53 HB3 GLN 53 0.543 -12.177 -5.882 366 HG2 GLN 53 HG2 GLN 53 0.198 -13.773 -4.037 367 HG3 GLN 53 HG3 GLN 53 -1.037 -12.702 -3.373 368 HE21 GLN 53 HE21 GLN 53 -0.605 -13.114 -6.795 369 HE22 GLN 53 HE22 GLN 53 -2.058 -14.003 -7.075 370 H ASN 54 H ASN 54 0.756 -11.811 -1.722 371 HA ASN 54 HA ASN 54 1.442 -13.381 -0.221 372 HB2 ASN 54 HB2 ASN 54 3.021 -14.512 -2.541 373 HB3 ASN 54 HB3 ASN 54 2.974 -15.240 -0.940 374 HD21 ASN 54 HD21 ASN 54 2.107 -16.233 -3.560 375 HD22 ASN 54 HD22 ASN 54 0.438 -16.669 -3.371 376 H PHE 55 H PHE 55 2.767 -10.820 -0.693 377 HA PHE 55 HA PHE 55 5.573 -11.253 -0.254 378 HB2 PHE 55 HB2 PHE 55 5.845 -8.960 -0.403 379 HB3 PHE 55 HB3 PHE 55 4.373 -9.172 -1.335 380 HD1 PHE 55 HD1 PHE 55 2.162 -8.667 -0.230 381 HD2 PHE 55 HD2 PHE 55 5.903 -7.588 1.488 382 HE1 PHE 55 HE1 PHE 55 1.033 -6.991 1.174 383 HE2 PHE 55 HE2 PHE 55 4.779 -5.916 2.897 384 HZ PHE 55 HZ PHE 55 2.341 -5.615 2.740 385 H THR 56 H THR 56 2.755 -10.710 1.715 386 HA THR 56 HA THR 56 4.023 -9.960 4.106 387 HB THR 56 HB THR 56 1.900 -10.798 5.183 388 HG1 THR 56 HG1 THR 56 1.142 -12.362 3.834 389 HG21 THR 56 HG21 THR 56 1.814 -8.876 2.867 390 HG22 THR 56 HG22 THR 56 2.040 -8.501 4.576 391 HG23 THR 56 HG23 THR 56 0.479 -9.081 3.997 392 H GLU 57 H GLU 57 3.558 -13.060 2.601 393 HA GLU 57 HA GLU 57 4.011 -14.614 4.930 394 HB2 GLU 57 HB2 GLU 57 3.982 -16.484 3.553 395 HB3 GLU 57 HB3 GLU 57 2.975 -15.338 2.682 396 HG2 GLU 57 HG2 GLU 57 4.742 -14.868 1.146 397 HG3 GLU 57 HG3 GLU 57 5.866 -15.846 2.091 398 H THR 58 H THR 58 6.085 -12.757 2.977 399 HA THR 58 HA THR 58 8.429 -14.080 4.178 400 HB THR 58 HB THR 58 9.740 -13.458 2.203 401 HG1 THR 58 HG1 THR 58 7.547 -12.871 0.625 402 HG21 THR 58 HG21 THR 58 7.219 -14.928 1.430 403 HG22 THR 58 HG22 THR 58 8.611 -15.650 2.238 404 HG23 THR 58 HG23 THR 58 8.775 -15.014 0.600 405 H ALA 59 H ALA 59 6.581 -11.631 4.666 406 HA ALA 59 HA ALA 59 8.746 -9.702 5.122 407 HB1 ALA 59 HB1 ALA 59 7.280 -8.929 3.319 408 HB2 ALA 59 HB2 ALA 59 5.889 -9.057 4.397 409 HB3 ALA 59 HB3 ALA 59 7.165 -7.889 4.740 410 H GLU 60 H GLU 60 8.555 -8.394 6.965 411 HA GLU 60 HA GLU 60 6.528 -9.073 8.952 412 HB2 GLU 60 HB2 GLU 60 8.827 -8.945 10.480 413 HB3 GLU 60 HB3 GLU 60 7.920 -10.396 10.097 414 HG2 GLU 60 HG2 GLU 60 9.364 -10.949 8.322 415 HG3 GLU 60 HG3 GLU 60 10.142 -9.365 8.344 416 H ASP 61 H ASP 61 6.949 -7.628 10.974 417 HA ASP 61 HA ASP 61 6.818 -5.474 11.765 418 HB2 ASP 61 HB2 ASP 61 9.374 -6.025 11.483 419 HB3 ASP 61 HB3 ASP 61 9.285 -4.859 10.176 420 H ILE 62 H ILE 62 5.094 -5.642 9.789 421 HA ILE 62 HA ILE 62 5.665 -3.714 7.711 422 HB ILE 62 HB ILE 62 2.986 -5.007 8.155 423 HG12 ILE 62 HG13 ILE 62 5.514 -6.210 7.017 424 HG13 ILE 62 3HG1 ILE 62 4.473 -6.867 8.272 425 HG21 ILE 62 HG21 ILE 62 3.105 -3.284 6.461 426 HG22 ILE 62 HG22 ILE 62 4.496 -4.071 5.714 427 HG23 ILE 62 HG23 ILE 62 2.918 -4.858 5.689 428 HD11 ILE 62 HD11 ILE 62 3.788 -6.617 5.355 429 HD12 ILE 62 HD12 ILE 62 4.227 -8.097 6.208 430 HD13 ILE 62 HD13 ILE 62 2.728 -7.260 6.611 431 H ARG 63 H ARG 63 5.553 -1.653 8.169 432 HA ARG 63 HA ARG 63 3.239 -0.667 9.703 433 HB2 ARG 63 HB2 ARG 63 4.930 1.327 10.155 434 HB3 ARG 63 HB3 ARG 63 4.866 -0.086 11.199 435 HG2 ARG 63 HG2 ARG 63 6.682 -0.566 9.040 436 HG3 ARG 63 HG3 ARG 63 7.084 0.955 9.842 437 HD2 ARG 63 HD2 ARG 63 8.167 -1.124 10.785 438 HD3 ARG 63 HD3 ARG 63 7.311 -0.103 11.943 439 HE ARG 63 HE ARG 63 6.210 -2.587 10.801 440 HH11 ARG 63 HH12 ARG 63 6.638 -0.352 13.447 441 HH12 ARG 63 HH11 ARG 63 5.723 -1.303 14.580 442 HH21 ARG 63 HH22 ARG 63 4.960 -3.831 12.263 443 HH22 ARG 63 HH21 ARG 63 4.723 -3.263 13.889 444 H PHE 64 H PHE 64 1.947 0.552 8.567 445 HA PHE 64 HA PHE 64 2.831 1.565 5.986 446 HB2 PHE 64 HB2 PHE 64 0.767 0.355 5.925 447 HB3 PHE 64 HB3 PHE 64 0.110 1.296 7.257 448 HD1 PHE 64 HD1 PHE 64 1.902 2.502 4.229 449 HD2 PHE 64 HD2 PHE 64 -1.768 2.273 6.362 450 HE1 PHE 64 HE1 PHE 64 0.886 4.087 2.646 451 HE2 PHE 64 HE2 PHE 64 -2.784 3.844 4.779 452 HZ PHE 64 HZ PHE 64 -1.465 4.751 2.918 453 H HIS 65 H HIS 65 3.259 3.577 5.558 454 HA HIS 65 HA HIS 65 2.405 5.658 7.461 455 HB2 HIS 65 HB2 HIS 65 5.028 5.363 5.986 456 HB3 HIS 65 HB3 HIS 65 4.504 6.901 6.664 457 HD1 HIS 65 HD1 HIS 65 6.424 6.969 8.384 458 HD2 HIS 65 HD2 HIS 65 3.985 3.614 8.713 459 HE1 HIS 65 HE1 HIS 65 7.024 5.899 10.584 460 HE2 HIS 65 HE2 HIS 65 5.388 3.993 10.847 461 HA PRO 66 HA PRO 66 0.145 6.439 3.527 462 HB2 PRO 66 HB2 PRO 66 -1.512 8.218 4.857 463 HB3 PRO 66 HB3 PRO 66 -1.832 6.517 4.579 464 HG2 PRO 66 HG2 PRO 66 -0.791 7.862 7.008 465 HG3 PRO 66 HG3 PRO 66 -1.896 6.482 6.872 466 HD2 PRO 66 HD2 PRO 66 0.680 6.160 7.538 467 HD3 PRO 66 HD3 PRO 66 -0.165 4.974 6.521 468 H LYS 67 H LYS 67 1.311 8.627 5.886 469 HA LYS 67 HA LYS 67 1.941 10.548 3.762 470 HB2 LYS 67 HB2 LYS 67 0.783 11.268 6.454 471 HB3 LYS 67 HB3 LYS 67 1.325 12.414 5.236 472 HG2 LYS 67 HG2 LYS 67 -0.749 12.423 4.460 473 HG3 LYS 67 HG3 LYS 67 -0.467 10.775 3.894 474 HD2 LYS 67 HD2 LYS 67 -2.498 10.891 5.222 475 HD3 LYS 67 HD3 LYS 67 -1.275 9.909 6.036 476 HE2 LYS 67 HE2 LYS 67 -2.372 11.396 7.621 477 HE3 LYS 67 HE3 LYS 67 -0.674 11.826 7.434 478 HZ1 LYS 67 HZ1 LYS 67 -1.982 13.808 7.440 479 HZ2 LYS 67 HZ2 LYS 67 -3.000 13.222 6.225 480 HZ3 LYS 67 HZ3 LYS 67 -1.382 13.592 5.869 481 H GLU 68 H GLU 68 4.049 9.840 3.778 482 HA GLU 68 HA GLU 68 5.658 9.689 6.080 483 HB2 GLU 68 HB2 GLU 68 6.401 8.514 4.159 484 HB3 GLU 68 HB3 GLU 68 6.322 9.957 3.157 485 HG2 GLU 68 HG2 GLU 68 8.227 10.899 4.207 486 HG3 GLU 68 HG3 GLU 68 8.217 9.665 5.470 487 H GLY 69 H GLY 69 6.241 11.242 7.359 488 HA2 GLY 69 HA3 GLY 69 6.811 13.288 8.196 489 HA3 GLY 69 HA2 GLY 69 7.787 13.425 6.745 490 H ALA 70 H ALA 70 7.506 15.579 6.435 491 HA ALA 70 HA ALA 70 4.856 16.745 6.361 492 HB1 ALA 70 HB1 ALA 70 6.016 18.829 5.832 493 HB2 ALA 70 HB2 ALA 70 6.743 18.043 7.233 494 HB3 ALA 70 HB3 ALA 70 7.536 17.949 5.661 495 H ALA 71 H ALA 71 6.758 14.967 4.311 496 HA ALA 71 HA ALA 71 6.181 16.232 1.821 497 HB1 ALA 71 HB1 ALA 71 8.116 14.779 2.067 498 HB2 ALA 71 HB2 ALA 71 7.064 13.407 2.420 499 HB3 ALA 71 HB3 ALA 71 7.034 14.155 0.822 500 H GLU 72 H GLU 72 4.533 14.081 3.925 501 HA GLU 72 HA GLU 72 2.533 13.021 3.878 502 HB2 GLU 72 HB2 GLU 72 1.990 15.184 1.845 503 HB3 GLU 72 HB3 GLU 72 0.750 14.104 2.469 504 HG2 GLU 72 HG2 GLU 72 2.439 15.865 4.217 505 HG3 GLU 72 HG3 GLU 72 0.881 16.356 3.555 506 H GLN 73 H GLN 73 4.452 11.689 2.466 507 HA GLN 73 HA GLN 73 3.099 10.847 -0.001 508 HB2 GLN 73 HB2 GLN 73 5.981 10.503 0.840 509 HB3 GLN 73 HB3 GLN 73 5.286 9.846 -0.637 510 HG2 GLN 73 HG2 GLN 73 4.715 12.153 -1.332 511 HG3 GLN 73 HG3 GLN 73 5.552 12.750 0.099 512 HE21 GLN 73 HE21 GLN 73 5.897 11.327 -3.035 513 HE22 GLN 73 HE22 GLN 73 7.605 11.556 -3.180 514 HA PRO 74 HA PRO 74 2.077 7.152 2.210 515 HB2 PRO 74 HB2 PRO 74 0.813 5.884 0.204 516 HB3 PRO 74 HB3 PRO 74 0.089 7.251 1.058 517 HG2 PRO 74 HG2 PRO 74 1.475 7.201 -1.594 518 HG3 PRO 74 HG3 PRO 74 -0.000 8.061 -1.119 519 HD2 PRO 74 HD2 PRO 74 2.453 9.254 -1.268 520 HD3 PRO 74 HD3 PRO 74 1.167 9.796 -0.173 521 H ILE 75 H ILE 75 3.805 5.955 2.658 522 HA ILE 75 HA ILE 75 4.748 4.169 0.550 523 HB ILE 75 HB ILE 75 7.033 4.482 0.921 524 HG12 ILE 75 HG13 ILE 75 7.565 6.385 2.807 525 HG13 ILE 75 3HG1 ILE 75 6.206 5.539 3.544 526 HG21 ILE 75 HG21 ILE 75 7.427 6.932 0.668 527 HG22 ILE 75 HG22 ILE 75 6.198 6.268 -0.412 528 HG23 ILE 75 HG23 ILE 75 5.714 7.185 1.016 529 HD11 ILE 75 HD11 ILE 75 8.776 4.290 2.597 530 HD12 ILE 75 HD12 ILE 75 8.300 4.577 4.270 531 HD13 ILE 75 HD13 ILE 75 7.406 3.416 3.285 532 H LEU 76 H LEU 76 5.242 2.142 1.229 533 HA LEU 76 HA LEU 76 4.628 1.571 4.049 534 HB2 LEU 76 HB2 LEU 76 2.968 0.716 2.477 535 HB3 LEU 76 HB3 LEU 76 4.213 -0.105 1.567 536 HG LEU 76 HG LEU 76 2.661 -1.431 3.184 537 HD11 LEU 76 HD11 LEU 76 5.647 -1.856 3.162 538 HD12 LEU 76 HD12 LEU 76 4.434 -3.069 3.574 539 HD13 LEU 76 HD13 LEU 76 4.507 -2.415 1.937 540 HD21 LEU 76 HD21 LEU 76 3.555 -1.702 5.421 541 HD22 LEU 76 HD22 LEU 76 4.768 -0.463 5.100 542 HD23 LEU 76 HD23 LEU 76 3.058 -0.033 5.141 543 H ARG 77 H ARG 77 6.217 0.733 5.252 544 HA ARG 77 HA ARG 77 8.439 -0.574 3.849 545 HB2 ARG 77 HB2 ARG 77 10.051 0.354 5.288 546 HB3 ARG 77 HB3 ARG 77 9.010 1.696 4.851 547 HG2 ARG 77 HG2 ARG 77 8.648 0.168 7.407 548 HG3 ARG 77 HG3 ARG 77 9.756 1.528 7.267 549 HD2 ARG 77 HD2 ARG 77 6.802 1.594 6.713 550 HD3 ARG 77 HD3 ARG 77 7.587 2.213 8.166 551 HE ARG 77 HE ARG 77 7.574 3.422 5.525 552 HH11 ARG 77 HH12 ARG 77 8.891 3.471 8.780 553 HH12 ARG 77 HH11 ARG 77 9.521 5.087 8.624 554 HH21 ARG 77 HH22 ARG 77 8.381 5.571 5.358 555 HH22 ARG 77 HH21 ARG 77 9.210 6.274 6.708 556 H ALA 78 H ALA 78 9.211 -2.414 4.656 557 HA ALA 78 HA ALA 78 8.437 -3.478 7.220 558 HB1 ALA 78 HB1 ALA 78 6.423 -3.975 5.922 559 HB2 ALA 78 HB2 ALA 78 7.402 -4.799 4.709 560 HB3 ALA 78 HB3 ALA 78 7.286 -5.454 6.343 561 H ARG 79 H ARG 79 9.338 -5.779 7.445 562 HA ARG 79 HA ARG 79 12.027 -5.771 6.342 563 HB2 ARG 79 HB2 ARG 79 10.976 -8.003 8.048 564 HB3 ARG 79 HB3 ARG 79 12.603 -7.357 7.955 565 HG2 ARG 79 HG2 ARG 79 10.231 -6.186 9.374 566 HG3 ARG 79 HG3 ARG 79 11.727 -6.798 10.076 567 HD2 ARG 79 HD2 ARG 79 12.950 -4.977 8.901 568 HD3 ARG 79 HD3 ARG 79 11.387 -4.354 8.370 569 HE ARG 79 HE ARG 79 10.856 -3.820 10.623 570 HH11 ARG 79 HH12 ARG 79 14.184 -4.822 10.125 571 HH12 ARG 79 HH11 ARG 79 14.734 -4.152 11.630 572 HH21 ARG 79 HH22 ARG 79 11.570 -2.937 12.563 573 HH22 ARG 79 HH21 ARG 79 13.248 -3.055 13.019 574 H LEU 80 H LEU 80 12.406 -6.707 4.466 575 HA LEU 80 HA LEU 80 10.628 -8.833 3.528 576 HB2 LEU 80 HB2 LEU 80 12.315 -6.771 2.219 577 HB3 LEU 80 HB3 LEU 80 12.117 -8.296 1.381 578 HG LEU 80 HG LEU 80 9.836 -7.982 1.079 579 HD11 LEU 80 HD11 LEU 80 9.245 -7.407 3.336 580 HD12 LEU 80 HD12 LEU 80 9.908 -5.785 3.107 581 HD13 LEU 80 HD13 LEU 80 8.495 -6.300 2.182 582 HD21 LEU 80 HD21 LEU 80 11.098 -5.272 0.873 583 HD22 LEU 80 HD22 LEU 80 11.110 -6.535 -0.357 584 HD23 LEU 80 HD23 LEU 80 9.592 -5.760 0.095 585 H ARG 81 H ARG 81 11.298 -10.843 3.226 586 HA ARG 81 HA ARG 81 13.941 -11.549 4.140 587 HB2 ARG 81 HB2 ARG 81 12.182 -12.930 4.934 588 HB3 ARG 81 HB3 ARG 81 11.549 -13.190 3.316 589 HG2 ARG 81 HG2 ARG 81 14.317 -14.098 3.793 590 HG3 ARG 81 HG3 ARG 81 13.053 -14.983 4.639 591 HD2 ARG 81 HD2 ARG 81 11.886 -15.097 2.349 592 HD3 ARG 81 HD3 ARG 81 13.445 -14.596 1.699 593 HE ARG 81 HE ARG 81 14.343 -16.650 2.825 594 HH11 ARG 81 HH12 ARG 81 11.005 -16.449 1.800 595 HH12 ARG 81 HH11 ARG 81 10.853 -18.148 1.477 596 HH21 ARG 81 HH22 ARG 81 14.172 -18.888 2.404 597 HH22 ARG 81 HH21 ARG 81 12.660 -19.546 1.841 598 H ASP 82 H ASP 82 15.573 -12.354 3.025 599 HA ASP 82 HA ASP 82 15.466 -12.170 0.098 600 HB2 ASP 82 HB2 ASP 82 17.773 -12.294 2.053 601 HB3 ASP 82 HB3 ASP 82 17.985 -12.376 0.313 602 H CYS 83 H CYS 83 16.713 -13.930 -1.110 603 HA CYS 83 HA CYS 83 15.652 -16.440 -0.501 604 HB2 CYS 83 HB2 CYS 83 17.956 -15.645 -2.267 605 HB3 CYS 83 HB3 CYS 83 17.407 -17.313 -2.133 606 HG CYS 83 HG CYS 83 15.925 -14.682 -3.655 607 H ASN 84 H ASN 84 18.493 -14.916 0.721 608 HA ASN 84 HA ASN 84 19.880 -17.248 1.567 609 HB2 ASN 84 HB2 ASN 84 20.995 -15.060 1.356 610 HB3 ASN 84 HB3 ASN 84 20.006 -14.425 2.665 611 HD21 ASN 84 HD21 ASN 84 20.533 -14.909 4.768 612 HD22 ASN 84 HD22 ASN 84 21.983 -15.747 5.217 613 H GLY 85 H GLY 85 17.143 -15.573 2.707 614 HA2 GLY 85 HA3 GLY 85 15.610 -16.410 4.269 615 HA3 GLY 85 HA2 GLY 85 16.882 -17.422 4.953 616 H GLU 86 H GLU 86 16.955 -13.999 4.243 617 HA GLU 86 HA GLU 86 17.285 -13.444 7.108 618 HB2 GLU 86 HB2 GLU 86 18.926 -11.765 6.595 619 HB3 GLU 86 HB3 GLU 86 19.407 -13.248 5.791 620 HG2 GLU 86 HG2 GLU 86 18.353 -12.352 3.710 621 HG3 GLU 86 HG3 GLU 86 18.155 -10.822 4.555 622 H PHE 87 H PHE 87 17.123 -10.801 7.182 623 HA PHE 87 HA PHE 87 14.752 -10.045 5.626 624 HB2 PHE 87 HB2 PHE 87 14.893 -9.839 8.646 625 HB3 PHE 87 HB3 PHE 87 13.601 -9.199 7.635 626 HD1 PHE 87 HD2 PHE 87 12.092 -10.743 6.436 627 HD2 PHE 87 HD1 PHE 87 14.982 -12.140 9.231 628 HE1 PHE 87 HE2 PHE 87 10.912 -12.896 6.575 629 HE2 PHE 87 HE1 PHE 87 13.807 -14.297 9.372 630 HZ PHE 87 HZ PHE 87 11.768 -14.677 8.042 631 H HIS 88 H HIS 88 14.559 -8.080 5.084 632 HA HIS 88 HA HIS 88 16.363 -6.053 6.182 633 HB2 HIS 88 HB2 HIS 88 16.178 -6.950 3.323 634 HB3 HIS 88 HB3 HIS 88 16.695 -5.338 3.739 635 HD1 HIS 88 HD1 HIS 88 18.944 -5.178 5.193 636 HD2 HIS 88 HD2 HIS 88 18.089 -8.874 3.498 637 HE1 HIS 88 HE1 HIS 88 21.100 -6.471 5.267 638 HE2 HIS 88 HE2 HIS 88 20.487 -8.779 4.449 639 H ASP 89 H ASP 89 15.167 -4.354 6.716 640 HA ASP 89 HA ASP 89 12.473 -4.070 5.908 641 HB2 ASP 89 HB2 ASP 89 12.572 -1.861 7.042 642 HB3 ASP 89 HB3 ASP 89 13.176 -3.175 8.042 643 H ARG 90 H ARG 90 11.812 -3.539 3.954 644 HA ARG 90 HA ARG 90 13.356 -1.499 2.476 645 HB2 ARG 90 HB2 ARG 90 11.506 -3.632 1.383 646 HB3 ARG 90 HB3 ARG 90 12.400 -2.457 0.429 647 HG2 ARG 90 HG2 ARG 90 13.591 -4.624 2.137 648 HG3 ARG 90 HG3 ARG 90 13.480 -4.620 0.376 649 HD2 ARG 90 HD2 ARG 90 14.904 -2.629 0.296 650 HD3 ARG 90 HD3 ARG 90 15.019 -2.641 2.057 651 HE ARG 90 HE ARG 90 15.844 -5.099 0.809 652 HH11 ARG 90 HH12 ARG 90 16.888 -1.902 1.790 653 HH12 ARG 90 HH11 ARG 90 18.556 -2.371 1.965 654 HH21 ARG 90 HH22 ARG 90 18.003 -5.720 1.040 655 HH22 ARG 90 HH21 ARG 90 19.197 -4.544 1.532 656 H ASP 91 H ASP 91 11.802 -0.342 0.844 657 HA ASP 91 HA ASP 91 9.235 0.211 2.121 658 HB2 ASP 91 HB2 ASP 91 9.566 2.608 1.987 659 HB3 ASP 91 HB3 ASP 91 10.859 1.900 2.945 660 H VAL 92 H VAL 92 7.686 1.023 0.716 661 HA VAL 92 HA VAL 92 8.466 1.087 -2.108 662 HB VAL 92 HB VAL 92 7.558 -1.149 -1.564 663 HG11 VAL 92 HG11 VAL 92 5.008 0.342 -0.998 664 HG12 VAL 92 HG12 VAL 92 5.151 -1.408 -1.164 665 HG13 VAL 92 HG13 VAL 92 5.969 -0.578 0.161 666 HG21 VAL 92 HG21 VAL 92 6.005 -1.247 -3.452 667 HG22 VAL 92 HG22 VAL 92 5.947 0.517 -3.467 668 HG23 VAL 92 HG23 VAL 92 7.466 -0.319 -3.800 669 H ASN 93 H ASN 93 7.242 2.347 -3.422 670 HA ASN 93 HA ASN 93 5.910 4.547 -2.104 671 HB2 ASN 93 HB2 ASN 93 6.761 3.970 -4.929 672 HB3 ASN 93 HB3 ASN 93 5.709 5.328 -4.570 673 HD21 ASN 93 HD21 ASN 93 8.889 3.998 -4.247 674 HD22 ASN 93 HD22 ASN 93 9.659 5.443 -3.687 675 H LEU 94 H LEU 94 3.844 4.303 -1.528 676 HA LEU 94 HA LEU 94 2.121 2.492 -2.960 677 HB2 LEU 94 HB2 LEU 94 1.547 4.341 -0.649 678 HB3 LEU 94 HB3 LEU 94 0.389 3.214 -1.328 679 HG LEU 94 HG LEU 94 2.762 2.693 0.391 680 HD11 LEU 94 HD11 LEU 94 0.010 1.492 0.227 681 HD12 LEU 94 HD12 LEU 94 1.219 1.158 1.466 682 HD13 LEU 94 HD13 LEU 94 0.517 2.770 1.332 683 HD21 LEU 94 HD21 LEU 94 3.240 1.367 -1.604 684 HD22 LEU 94 HD22 LEU 94 2.789 0.338 -0.245 685 HD23 LEU 94 HD23 LEU 94 1.624 0.665 -1.528 686 H ASN 95 H ASN 95 3.147 5.470 -3.669 687 HA ASN 95 HA ASN 95 0.841 6.894 -4.407 688 HB2 ASN 95 HB2 ASN 95 3.492 6.985 -5.866 689 HB3 ASN 95 HB3 ASN 95 2.265 8.244 -5.811 690 HD21 ASN 95 HD21 ASN 95 4.932 6.806 -4.260 691 HD22 ASN 95 HD22 ASN 95 5.052 7.890 -2.937 692 H ARG 96 H ARG 96 2.124 4.029 -5.594 693 HA ARG 96 HA ARG 96 1.359 4.203 -8.327 694 HB2 ARG 96 HB2 ARG 96 2.068 1.963 -6.464 695 HB3 ARG 96 HB3 ARG 96 1.389 1.604 -8.041 696 HG2 ARG 96 HG2 ARG 96 3.846 1.492 -7.981 697 HG3 ARG 96 HG3 ARG 96 3.230 2.661 -9.146 698 HD2 ARG 96 HD2 ARG 96 3.929 3.595 -6.402 699 HD3 ARG 96 HD3 ARG 96 5.228 3.252 -7.543 700 HE ARG 96 HE ARG 96 3.060 5.118 -8.214 701 HH11 ARG 96 HH12 ARG 96 6.454 4.390 -7.803 702 HH12 ARG 96 HH11 ARG 96 6.997 5.870 -8.546 703 HH21 ARG 96 HH22 ARG 96 3.767 7.078 -9.183 704 HH22 ARG 96 HH21 ARG 96 5.468 7.394 -9.338 705 H ILE 97 H ILE 97 -0.287 3.686 -5.377 706 HA ILE 97 HA ILE 97 -2.581 2.394 -6.578 707 HB ILE 97 HB ILE 97 -2.213 3.473 -3.776 708 HG12 ILE 97 HG13 ILE 97 -2.135 0.563 -4.424 709 HG13 ILE 97 3HG1 ILE 97 -0.711 1.519 -4.819 710 HG21 ILE 97 HG21 ILE 97 -4.561 3.183 -4.431 711 HG22 ILE 97 HG22 ILE 97 -4.226 1.514 -4.890 712 HG23 ILE 97 HG23 ILE 97 -4.085 2.010 -3.203 713 HD11 ILE 97 HD11 ILE 97 -1.982 1.334 -2.107 714 HD12 ILE 97 HD12 ILE 97 -0.544 0.458 -2.635 715 HD13 ILE 97 HD13 ILE 97 -0.511 2.219 -2.522 716 H GLN 98 H GLN 98 -4.202 3.448 -7.452 717 HA GLN 98 HA GLN 98 -4.631 6.262 -6.737 718 HB2 GLN 98 HB2 GLN 98 -4.939 4.875 -9.404 719 HB3 GLN 98 HB3 GLN 98 -5.541 6.490 -9.069 720 HG2 GLN 98 HG2 GLN 98 -3.279 7.259 -8.607 721 HG3 GLN 98 HG3 GLN 98 -2.662 5.633 -8.895 722 HE21 GLN 98 HE21 GLN 98 -1.336 6.326 -10.554 723 HE22 GLN 98 HE22 GLN 98 -1.950 6.771 -12.111 724 H ASN 99 H ASN 99 -6.916 6.941 -7.213 725 HA ASN 99 HA ASN 99 -8.731 4.801 -6.326 726 HB2 ASN 99 HB2 ASN 99 -8.642 6.470 -4.653 727 HB3 ASN 99 HB3 ASN 99 -8.725 7.773 -5.835 728 HD21 ASN 99 HD21 ASN 99 -10.678 8.432 -6.599 729 HD22 ASN 99 HD22 ASN 99 -12.180 7.877 -5.958 730 H VAL 100 H VAL 100 -10.187 4.124 -7.708 731 HA VAL 100 HA VAL 100 -10.955 5.889 -9.933 732 HB VAL 100 HB VAL 100 -11.003 2.864 -9.840 733 HG11 VAL 100 HG11 VAL 100 -11.625 4.766 -12.095 734 HG12 VAL 100 HG12 VAL 100 -11.527 3.010 -12.232 735 HG13 VAL 100 HG13 VAL 100 -12.782 3.748 -11.236 736 HG21 VAL 100 HG21 VAL 100 -8.737 3.743 -9.950 737 HG22 VAL 100 HG22 VAL 100 -9.190 2.992 -11.481 738 HG23 VAL 100 HG23 VAL 100 -9.181 4.749 -11.328 739 H ASN 101 H ASN 101 -12.653 6.899 -9.000 740 HA ASN 101 HA ASN 101 -14.767 7.281 -8.317 741 HB2 ASN 101 HB2 ASN 101 -15.145 5.916 -10.445 742 HB3 ASN 101 HB3 ASN 101 -15.504 4.564 -9.373 743 HD21 ASN 101 HD21 ASN 101 -17.662 4.486 -10.117 744 HD22 ASN 101 HD22 ASN 101 -18.826 5.672 -9.633 745 H GLY 102 H GLY 102 -12.916 5.765 -6.526 746 HA2 GLY 102 HA3 GLY 102 -13.529 5.585 -4.176 747 HA3 GLY 102 HA2 GLY 102 -15.025 4.827 -4.689 748 H ARG 103 H ARG 103 -12.170 3.806 -6.325 749 HA ARG 103 HA ARG 103 -11.958 1.494 -4.529 750 HB2 ARG 103 HB2 ARG 103 -11.963 -0.055 -6.314 751 HB3 ARG 103 HB3 ARG 103 -13.320 1.020 -6.607 752 HG2 ARG 103 HG2 ARG 103 -11.759 2.296 -8.162 753 HG3 ARG 103 HG3 ARG 103 -10.700 0.886 -8.052 754 HD2 ARG 103 HD2 ARG 103 -12.154 0.734 -10.005 755 HD3 ARG 103 HD3 ARG 103 -12.518 -0.542 -8.842 756 HE ARG 103 HE ARG 103 -14.123 1.859 -8.612 757 HH11 ARG 103 HH12 ARG 103 -13.863 -1.348 -10.012 758 HH12 ARG 103 HH11 ARG 103 -15.583 -1.526 -10.203 759 HH21 ARG 103 HH22 ARG 103 -16.382 1.604 -8.853 760 HH22 ARG 103 HH21 ARG 103 -17.003 0.141 -9.571 761 H LEU 104 H LEU 104 -9.935 0.814 -4.096 762 HA LEU 104 HA LEU 104 -7.753 2.493 -4.973 763 HB2 LEU 104 HB2 LEU 104 -7.835 0.130 -3.089 764 HB3 LEU 104 HB3 LEU 104 -6.411 1.107 -3.398 765 HG LEU 104 HG LEU 104 -8.967 2.001 -2.067 766 HD11 LEU 104 HD11 LEU 104 -7.519 2.353 -0.126 767 HD12 LEU 104 HD12 LEU 104 -7.515 0.667 -0.644 768 HD13 LEU 104 HD13 LEU 104 -6.149 1.712 -1.034 769 HD21 LEU 104 HD21 LEU 104 -7.847 4.160 -1.760 770 HD22 LEU 104 HD22 LEU 104 -6.501 3.598 -2.750 771 HD23 LEU 104 HD23 LEU 104 -8.100 3.791 -3.466 772 H VAL 105 H VAL 105 -6.412 2.047 -6.601 773 HA VAL 105 HA VAL 105 -6.100 -0.749 -7.449 774 HB VAL 105 HB VAL 105 -7.708 0.217 -8.978 775 HG11 VAL 105 HG11 VAL 105 -5.652 2.357 -9.512 776 HG12 VAL 105 HG12 VAL 105 -7.162 2.140 -10.396 777 HG13 VAL 105 HG13 VAL 105 -7.196 2.573 -8.687 778 HG21 VAL 105 HG21 VAL 105 -4.991 -0.013 -10.263 779 HG22 VAL 105 HG22 VAL 105 -6.094 -1.344 -9.911 780 HG23 VAL 105 HG23 VAL 105 -6.540 -0.122 -11.100 781 H PHE 106 H PHE 106 -4.051 -1.340 -7.698 782 HA PHE 106 HA PHE 106 -1.945 0.631 -7.415 783 HB2 PHE 106 HB2 PHE 106 -0.493 -1.173 -6.975 784 HB3 PHE 106 HB3 PHE 106 -2.022 -1.687 -6.271 785 HD1 PHE 106 HD1 PHE 106 -3.555 -3.096 -7.898 786 HD2 PHE 106 HD2 PHE 106 0.654 -2.635 -8.315 787 HE1 PHE 106 HE1 PHE 106 -3.463 -5.154 -9.244 788 HE2 PHE 106 HE2 PHE 106 0.753 -4.688 -9.661 789 HZ PHE 106 HZ PHE 106 -1.307 -5.951 -10.130 790 H GLN 107 H GLN 107 -0.327 1.053 -8.959 791 HA GLN 107 HA GLN 107 -1.116 1.034 -11.652 792 HB2 GLN 107 HB2 GLN 107 1.579 1.477 -10.375 793 HB3 GLN 107 HB3 GLN 107 1.323 1.607 -12.108 794 HG2 GLN 107 HG2 GLN 107 0.058 3.282 -9.956 795 HG3 GLN 107 HG3 GLN 107 1.265 3.789 -11.136 796 HE21 GLN 107 HE21 GLN 107 -2.062 3.006 -10.596 797 HE22 GLN 107 HE22 GLN 107 -2.668 3.600 -12.105 Start of MODEL 27 1 H MET 1 H MET 1 -2.456 12.169 -10.352 2 HA MET 1 HA MET 1 -0.770 12.778 -8.841 3 HB2 MET 1 HB2 MET 1 -2.108 14.453 -7.597 4 HB3 MET 1 HB3 MET 1 -2.991 13.155 -6.811 5 HG2 MET 1 HG2 MET 1 -1.346 13.999 -5.304 6 HG3 MET 1 HG3 MET 1 -0.869 12.378 -5.808 7 HE1 MET 1 HE1 MET 1 -0.203 16.213 -6.125 8 HE2 MET 1 HE2 MET 1 1.081 16.276 -7.333 9 HE3 MET 1 HE3 MET 1 -0.547 15.786 -7.800 10 H SER 2 H SER 2 -3.014 11.403 -6.535 11 HA SER 2 HA SER 2 -2.564 8.668 -7.241 12 HB2 SER 2 HB2 SER 2 -1.258 9.726 -4.710 13 HB3 SER 2 HB3 SER 2 -1.369 8.030 -5.176 14 HG SER 2 HG SER 2 -0.163 8.672 -7.106 15 H TYR 3 H TYR 3 -3.441 7.274 -5.229 16 HA TYR 3 HA TYR 3 -6.080 8.113 -4.789 17 HB2 TYR 3 HB2 TYR 3 -6.369 6.166 -3.517 18 HB3 TYR 3 HB3 TYR 3 -5.055 5.741 -4.605 19 HD1 TYR 3 HD1 TYR 3 -2.662 5.876 -3.690 20 HD2 TYR 3 HD2 TYR 3 -6.114 5.976 -1.209 21 HE1 TYR 3 HE1 TYR 3 -1.285 5.248 -1.753 22 HE2 TYR 3 HE2 TYR 3 -4.754 5.349 0.736 23 HH TYR 3 HH TYR 3 -1.355 5.427 0.695 24 H ALA 4 H ALA 4 -3.174 8.446 -2.860 25 HA ALA 4 HA ALA 4 -4.184 9.291 -0.432 26 HB1 ALA 4 HB1 ALA 4 -1.835 8.724 -0.857 27 HB2 ALA 4 HB2 ALA 4 -1.647 10.233 -1.750 28 HB3 ALA 4 HB3 ALA 4 -2.011 10.270 -0.025 29 H ASP 5 H ASP 5 -4.075 11.042 -3.421 30 HA ASP 5 HA ASP 5 -4.106 13.682 -2.485 31 HB2 ASP 5 HB2 ASP 5 -3.779 13.293 -4.821 32 HB3 ASP 5 HB3 ASP 5 -5.299 12.416 -4.953 33 H SER 6 H SER 6 -6.594 11.253 -2.629 34 HA SER 6 HA SER 6 -8.432 13.126 -1.309 35 HB2 SER 6 HB2 SER 6 -9.194 11.161 -3.480 36 HB3 SER 6 HB3 SER 6 -10.304 12.213 -2.604 37 HG SER 6 HG SER 6 -8.115 13.337 -3.979 38 H SER 7 H SER 7 -6.704 11.073 -0.168 39 HA SER 7 HA SER 7 -8.773 9.236 0.841 40 HB2 SER 7 HB2 SER 7 -5.846 8.669 0.385 41 HB3 SER 7 HB3 SER 7 -6.957 7.577 1.212 42 HG SER 7 HG SER 7 -7.105 8.476 -1.476 43 H ARG 8 H ARG 8 -8.554 8.494 2.984 44 HA ARG 8 HA ARG 8 -6.705 9.783 4.787 45 HB2 ARG 8 HB2 ARG 8 -8.304 10.905 6.144 46 HB3 ARG 8 HB3 ARG 8 -8.663 11.395 4.494 47 HG2 ARG 8 HG2 ARG 8 -10.231 9.151 4.866 48 HG3 ARG 8 HG3 ARG 8 -10.316 9.990 6.415 49 HD2 ARG 8 HD2 ARG 8 -12.091 10.779 4.992 50 HD3 ARG 8 HD3 ARG 8 -10.904 12.067 5.208 51 HE ARG 8 HE ARG 8 -10.987 10.359 2.805 52 HH11 ARG 8 HH12 ARG 8 -10.595 13.482 4.364 53 HH12 ARG 8 HH11 ARG 8 -10.399 14.348 2.868 54 HH21 ARG 8 HH22 ARG 8 -10.733 11.521 0.825 55 HH22 ARG 8 HH21 ARG 8 -10.508 13.247 0.864 56 H ASN 9 H ASN 9 -7.238 8.986 7.086 57 HA ASN 9 HA ASN 9 -7.314 7.211 8.497 58 HB2 ASN 9 HB2 ASN 9 -9.800 6.798 6.848 59 HB3 ASN 9 HB3 ASN 9 -9.376 5.691 8.154 60 HD21 ASN 9 HD21 ASN 9 -11.635 7.572 7.823 61 HD22 ASN 9 HD22 ASN 9 -11.579 8.587 9.232 62 H ALA 10 H ALA 10 -5.682 6.973 6.145 63 HA ALA 10 HA ALA 10 -5.915 4.289 5.163 64 HB1 ALA 10 HB1 ALA 10 -4.955 6.216 3.877 65 HB2 ALA 10 HB2 ALA 10 -3.540 6.126 4.922 66 HB3 ALA 10 HB3 ALA 10 -3.963 4.762 3.886 67 H VAL 11 H VAL 11 -5.437 2.584 6.339 68 HA VAL 11 HA VAL 11 -3.026 2.573 8.010 69 HB VAL 11 HB VAL 11 -5.714 1.610 9.035 70 HG11 VAL 11 HG11 VAL 11 -3.053 1.849 10.432 71 HG12 VAL 11 HG12 VAL 11 -4.570 1.336 11.172 72 HG13 VAL 11 HG13 VAL 11 -3.824 0.349 9.915 73 HG21 VAL 11 HG21 VAL 11 -4.166 4.071 9.837 74 HG22 VAL 11 HG22 VAL 11 -5.695 4.040 8.958 75 HG23 VAL 11 HG23 VAL 11 -5.625 3.470 10.624 76 H LEU 12 H LEU 12 -2.193 0.438 8.371 77 HA LEU 12 HA LEU 12 -3.054 -1.460 6.337 78 HB2 LEU 12 HB2 LEU 12 -0.563 -0.830 7.533 79 HB3 LEU 12 HB3 LEU 12 -0.941 -2.480 7.976 80 HG LEU 12 HG LEU 12 -1.075 -3.162 5.692 81 HD11 LEU 12 HD11 LEU 12 -0.741 -0.248 4.988 82 HD12 LEU 12 HD12 LEU 12 -0.744 -1.587 3.839 83 HD13 LEU 12 HD13 LEU 12 -2.198 -1.218 4.767 84 HD21 LEU 12 HD21 LEU 12 1.292 -1.350 6.127 85 HD22 LEU 12 HD22 LEU 12 1.163 -3.041 6.604 86 HD23 LEU 12 HD23 LEU 12 1.183 -2.606 4.895 87 H THR 13 H THR 13 -4.020 -3.329 6.722 88 HA THR 13 HA THR 13 -4.630 -4.077 9.507 89 HB THR 13 HB THR 13 -6.431 -4.597 7.134 90 HG1 THR 13 HG1 THR 13 -6.736 -2.427 8.959 91 HG21 THR 13 HG21 THR 13 -6.854 -5.922 9.158 92 HG22 THR 13 HG22 THR 13 -8.168 -4.786 8.851 93 HG23 THR 13 HG23 THR 13 -6.978 -4.439 10.105 94 H ASN 14 H ASN 14 -5.214 -6.442 9.697 95 HA ASN 14 HA ASN 14 -4.862 -8.664 9.386 96 HB2 ASN 14 HB2 ASN 14 -5.160 -7.689 6.792 97 HB3 ASN 14 HB3 ASN 14 -3.686 -8.648 6.735 98 HD21 ASN 14 HD21 ASN 14 -6.222 -9.150 5.477 99 HD22 ASN 14 HD22 ASN 14 -6.774 -10.684 6.065 100 H GLY 15 H GLY 15 -2.615 -6.439 9.687 101 HA2 GLY 15 HA3 GLY 15 -0.513 -6.784 10.704 102 HA3 GLY 15 HA2 GLY 15 -0.469 -8.401 10.013 103 H GLY 16 H GLY 16 -1.401 -5.771 8.012 104 HA2 GLY 16 HA3 GLY 16 -0.010 -4.441 6.608 105 HA3 GLY 16 HA2 GLY 16 1.299 -5.583 6.881 106 H ARG 17 H ARG 17 -1.754 -6.967 6.297 107 HA ARG 17 HA ARG 17 -0.848 -7.788 3.634 108 HB2 ARG 17 HB2 ARG 17 -3.158 -9.045 5.077 109 HB3 ARG 17 HB3 ARG 17 -2.084 -9.753 3.880 110 HG2 ARG 17 HG2 ARG 17 -0.261 -9.621 5.624 111 HG3 ARG 17 HG3 ARG 17 -1.517 -9.197 6.776 112 HD2 ARG 17 HD2 ARG 17 -0.948 -11.615 6.771 113 HD3 ARG 17 HD3 ARG 17 -2.643 -11.273 6.438 114 HE ARG 17 HE ARG 17 -0.995 -11.605 4.086 115 HH11 ARG 17 HH12 ARG 17 -2.951 -13.235 6.495 116 HH12 ARG 17 HH11 ARG 17 -3.392 -14.541 5.432 117 HH21 ARG 17 HH22 ARG 17 -1.640 -13.313 2.661 118 HH22 ARG 17 HH21 ARG 17 -2.653 -14.584 3.281 119 H THR 18 H THR 18 -3.101 -5.805 5.223 120 HA THR 18 HA THR 18 -4.640 -5.533 2.731 121 HB THR 18 HB THR 18 -5.805 -5.350 5.515 122 HG1 THR 18 HG1 THR 18 -6.045 -7.443 3.573 123 HG21 THR 18 HG21 THR 18 -7.131 -5.402 2.799 124 HG22 THR 18 HG22 THR 18 -6.964 -3.984 3.837 125 HG23 THR 18 HG23 THR 18 -7.961 -5.346 4.356 126 H LEU 19 H LEU 19 -4.721 -3.511 1.987 127 HA LEU 19 HA LEU 19 -3.906 -1.307 3.728 128 HB2 LEU 19 HB2 LEU 19 -2.685 -1.497 1.658 129 HB3 LEU 19 HB3 LEU 19 -4.172 -1.565 0.735 130 HG LEU 19 HG LEU 19 -4.650 0.779 1.415 131 HD11 LEU 19 HD11 LEU 19 -3.344 0.841 3.469 132 HD12 LEU 19 HD12 LEU 19 -1.856 0.660 2.539 133 HD13 LEU 19 HD13 LEU 19 -2.834 2.115 2.361 134 HD21 LEU 19 HD21 LEU 19 -2.043 0.266 -0.001 135 HD22 LEU 19 HD22 LEU 19 -3.649 0.293 -0.729 136 HD23 LEU 19 HD23 LEU 19 -2.958 1.774 -0.065 137 H ARG 20 H ARG 20 -5.596 -0.438 4.771 138 HA ARG 20 HA ARG 20 -8.150 -0.146 3.334 139 HB2 ARG 20 HB2 ARG 20 -7.896 -1.329 5.648 140 HB3 ARG 20 HB3 ARG 20 -7.752 0.300 6.285 141 HG2 ARG 20 HG2 ARG 20 -10.106 -0.731 4.715 142 HG3 ARG 20 HG3 ARG 20 -10.025 -0.643 6.471 143 HD2 ARG 20 HD2 ARG 20 -9.974 1.654 4.520 144 HD3 ARG 20 HD3 ARG 20 -11.263 1.242 5.647 145 HE ARG 20 HE ARG 20 -8.647 2.388 6.353 146 HH11 ARG 20 HH12 ARG 20 -11.931 1.530 7.250 147 HH12 ARG 20 HH11 ARG 20 -11.894 2.471 8.715 148 HH21 ARG 20 HH22 ARG 20 -8.633 3.635 8.269 149 HH22 ARG 20 HH21 ARG 20 -10.036 3.639 9.295 150 H ALA 21 H ALA 21 -8.655 1.825 2.594 151 HA ALA 21 HA ALA 21 -7.867 4.197 4.089 152 HB1 ALA 21 HB1 ALA 21 -7.097 3.827 1.194 153 HB2 ALA 21 HB2 ALA 21 -6.877 5.294 2.146 154 HB3 ALA 21 HB3 ALA 21 -5.985 3.830 2.562 155 H GLU 22 H GLU 22 -9.196 5.986 3.672 156 HA GLU 22 HA GLU 22 -11.620 5.305 2.152 157 HB2 GLU 22 HB2 GLU 22 -11.372 7.622 4.051 158 HB3 GLU 22 HB3 GLU 22 -12.826 6.776 3.534 159 HG2 GLU 22 HG2 GLU 22 -11.715 4.738 4.718 160 HG3 GLU 22 HG3 GLU 22 -10.784 5.985 5.550 161 H CYS 23 H CYS 23 -11.575 6.030 0.164 162 HA CYS 23 HA CYS 23 -10.345 8.647 -0.374 163 HB2 CYS 23 HB2 CYS 23 -10.078 7.718 -2.723 164 HB3 CYS 23 HB3 CYS 23 -9.062 6.991 -1.482 165 HG CYS 23 HG CYS 23 -11.062 5.526 -3.565 166 H ARG 24 H ARG 24 -11.461 10.122 -1.566 167 HA ARG 24 HA ARG 24 -14.296 9.786 -1.712 168 HB2 ARG 24 HB2 ARG 24 -14.149 12.001 -1.429 169 HB3 ARG 24 HB3 ARG 24 -12.426 11.976 -1.765 170 HG2 ARG 24 HG2 ARG 24 -14.417 11.955 -3.998 171 HG3 ARG 24 HG3 ARG 24 -13.978 13.461 -3.187 172 HD2 ARG 24 HD2 ARG 24 -11.839 13.432 -3.999 173 HD3 ARG 24 HD3 ARG 24 -11.787 11.672 -4.103 174 HE ARG 24 HE ARG 24 -13.622 12.329 -5.971 175 HH11 ARG 24 HH12 ARG 24 -10.331 13.420 -5.351 176 HH12 ARG 24 HH11 ARG 24 -10.001 13.742 -7.029 177 HH21 ARG 24 HH22 ARG 24 -13.167 12.788 -8.158 178 HH22 ARG 24 HH21 ARG 24 -11.600 13.375 -8.617 179 H ASN 25 H ASN 25 -15.577 9.615 -3.527 180 HA ASN 25 HA ASN 25 -14.290 8.355 -5.798 181 HB2 ASN 25 HB2 ASN 25 -16.450 7.611 -6.427 182 HB3 ASN 25 HB3 ASN 25 -16.374 7.503 -4.677 183 HD21 ASN 25 HD21 ASN 25 -18.688 7.653 -6.418 184 HD22 ASN 25 HD22 ASN 25 -19.579 9.047 -5.904 185 H ALA 26 H ALA 26 -15.660 8.887 -7.964 186 HA ALA 26 HA ALA 26 -14.726 11.406 -8.803 187 HB1 ALA 26 HB1 ALA 26 -16.765 9.635 -10.132 188 HB2 ALA 26 HB2 ALA 26 -15.839 10.925 -10.901 189 HB3 ALA 26 HB3 ALA 26 -15.015 9.484 -10.300 190 H ASP 27 H ASP 27 -17.592 10.553 -7.161 191 HA ASP 27 HA ASP 27 -19.156 12.789 -8.139 192 HB2 ASP 27 HB2 ASP 27 -20.111 10.529 -7.450 193 HB3 ASP 27 HB3 ASP 27 -19.797 11.007 -5.790 194 H GLY 28 H GLY 28 -16.994 12.073 -5.551 195 HA2 GLY 28 HA3 GLY 28 -15.979 13.925 -4.370 196 HA3 GLY 28 HA2 GLY 28 -17.529 14.749 -4.429 197 H ASN 29 H ASN 29 -17.989 11.511 -3.753 198 HA ASN 29 HA ASN 29 -18.446 12.111 -0.912 199 HB2 ASN 29 HB2 ASN 29 -20.159 10.996 -2.573 200 HB3 ASN 29 HB3 ASN 29 -19.218 9.547 -2.251 201 HD21 ASN 29 HD21 ASN 29 -22.004 10.292 -1.596 202 HD22 ASN 29 HD22 ASN 29 -22.146 10.025 0.114 203 H TRP 30 H TRP 30 -17.579 10.790 0.715 204 HA TRP 30 HA TRP 30 -15.014 9.652 0.081 205 HB2 TRP 30 HB2 TRP 30 -16.512 9.868 2.699 206 HB3 TRP 30 HB3 TRP 30 -14.892 9.194 2.544 207 HD1 TRP 30 HD1 TRP 30 -14.642 11.822 0.200 208 HE1 TRP 30 HE1 TRP 30 -13.770 14.023 1.222 209 HE3 TRP 30 HE3 TRP 30 -15.410 10.763 5.141 210 HZ2 TRP 30 HZ2 TRP 30 -13.445 15.145 3.799 211 HZ3 TRP 30 HZ3 TRP 30 -14.789 12.452 6.820 212 HH2 TRP 30 HH2 TRP 30 -13.826 14.596 6.160 213 H VAL 31 H VAL 31 -14.533 7.602 -0.253 214 HA VAL 31 HA VAL 31 -16.554 5.542 0.372 215 HB VAL 31 HB VAL 31 -14.619 5.387 -1.934 216 HG11 VAL 31 HG11 VAL 31 -16.220 3.734 -2.785 217 HG12 VAL 31 HG12 VAL 31 -15.564 3.282 -1.212 218 HG13 VAL 31 HG13 VAL 31 -17.194 3.944 -1.330 219 HG21 VAL 31 HG21 VAL 31 -17.433 6.470 -1.988 220 HG22 VAL 31 HG22 VAL 31 -15.947 7.362 -2.329 221 HG23 VAL 31 HG23 VAL 31 -16.473 6.072 -3.413 222 H THR 32 H THR 32 -15.828 3.906 1.609 223 HA THR 32 HA THR 32 -13.046 3.867 2.400 224 HB THR 32 HB THR 32 -15.202 1.901 3.177 225 HG1 THR 32 HG1 THR 32 -14.520 4.202 4.712 226 HG21 THR 32 HG21 THR 32 -12.922 1.252 3.756 227 HG22 THR 32 HG22 THR 32 -13.844 1.656 5.206 228 HG23 THR 32 HG23 THR 32 -12.673 2.807 4.557 229 H SER 33 H SER 33 -11.617 2.903 1.053 230 HA SER 33 HA SER 33 -12.523 0.493 -0.375 231 HB2 SER 33 HB2 SER 33 -11.708 2.625 -1.657 232 HB3 SER 33 HB3 SER 33 -10.100 2.044 -1.217 233 HG SER 33 HG SER 33 -12.085 0.625 -2.667 234 H GLU 34 H GLU 34 -11.163 -1.282 -0.474 235 HA GLU 34 HA GLU 34 -8.842 -1.288 1.308 236 HB2 GLU 34 HB2 GLU 34 -10.690 -3.648 1.240 237 HB3 GLU 34 HB3 GLU 34 -9.537 -3.180 2.483 238 HG2 GLU 34 HG2 GLU 34 -11.006 -1.283 3.066 239 HG3 GLU 34 HG3 GLU 34 -12.175 -1.871 1.890 240 H LEU 35 H LEU 35 -7.136 -2.279 0.478 241 HA LEU 35 HA LEU 35 -7.534 -4.232 -1.668 242 HB2 LEU 35 HB2 LEU 35 -6.928 -2.320 -2.908 243 HB3 LEU 35 HB3 LEU 35 -5.731 -1.830 -1.725 244 HG LEU 35 HG LEU 35 -4.253 -3.629 -2.395 245 HD11 LEU 35 HD11 LEU 35 -4.762 -5.137 -4.232 246 HD12 LEU 35 HD12 LEU 35 -5.932 -5.330 -2.929 247 HD13 LEU 35 HD13 LEU 35 -6.376 -4.434 -4.383 248 HD21 LEU 35 HD21 LEU 35 -3.773 -2.923 -4.689 249 HD22 LEU 35 HD22 LEU 35 -5.340 -2.120 -4.764 250 HD23 LEU 35 HD23 LEU 35 -4.112 -1.552 -3.634 251 H ASP 36 H ASP 36 -6.719 -6.044 -1.056 252 HA ASP 36 HA ASP 36 -4.981 -6.307 1.148 253 HB2 ASP 36 HB2 ASP 36 -5.984 -8.203 -0.964 254 HB3 ASP 36 HB3 ASP 36 -4.860 -8.710 0.281 255 H LEU 37 H LEU 37 -2.988 -5.603 1.054 256 HA LEU 37 HA LEU 37 -1.436 -5.141 -1.211 257 HB2 LEU 37 HB2 LEU 37 -0.534 -5.806 1.581 258 HB3 LEU 37 HB3 LEU 37 0.465 -5.086 0.327 259 HG LEU 37 HG LEU 37 -1.876 -3.868 1.723 260 HD11 LEU 37 HD11 LEU 37 -0.212 -2.286 2.463 261 HD12 LEU 37 HD12 LEU 37 0.222 -3.942 2.903 262 HD13 LEU 37 HD13 LEU 37 1.018 -3.157 1.541 263 HD21 LEU 37 HD21 LEU 37 -2.002 -3.267 -0.621 264 HD22 LEU 37 HD22 LEU 37 -1.472 -1.885 0.337 265 HD23 LEU 37 HD23 LEU 37 -0.300 -2.802 -0.611 266 H ASP 38 H ASP 38 -1.542 -7.835 1.017 267 HA ASP 38 HA ASP 38 0.560 -9.302 -0.140 268 HB2 ASP 38 HB2 ASP 38 0.066 -10.988 1.332 269 HB3 ASP 38 HB3 ASP 38 -0.689 -9.624 2.148 270 H THR 39 H THR 39 -2.340 -8.487 -1.516 271 HA THR 39 HA THR 39 -2.449 -11.015 -3.025 272 HB THR 39 HB THR 39 -4.544 -9.794 -1.888 273 HG1 THR 39 HG1 THR 39 -4.587 -11.164 -4.400 274 HG21 THR 39 HG21 THR 39 -4.515 -8.740 -4.716 275 HG22 THR 39 HG22 THR 39 -4.396 -7.771 -3.247 276 HG23 THR 39 HG23 THR 39 -5.880 -8.657 -3.601 277 H ILE 40 H ILE 40 -1.247 -7.891 -3.236 278 HA ILE 40 HA ILE 40 -0.799 -8.237 -6.105 279 HB ILE 40 HB ILE 40 -1.265 -5.785 -6.489 280 HG12 ILE 40 HG13 ILE 40 -3.194 -5.052 -4.805 281 HG13 ILE 40 3HG1 ILE 40 -2.277 -6.070 -3.701 282 HG21 ILE 40 HG21 ILE 40 -3.604 -7.549 -5.781 283 HG22 ILE 40 HG22 ILE 40 -3.665 -6.120 -6.811 284 HG23 ILE 40 HG23 ILE 40 -2.737 -7.531 -7.317 285 HD11 ILE 40 HD11 ILE 40 -1.636 -3.748 -3.495 286 HD12 ILE 40 HD12 ILE 40 -0.294 -4.710 -4.112 287 HD13 ILE 40 HD13 ILE 40 -1.225 -3.691 -5.209 288 H ILE 41 H ILE 41 0.641 -8.034 -3.343 289 HA ILE 41 HA ILE 41 2.852 -6.362 -4.351 290 HB ILE 41 HB ILE 41 1.887 -6.570 -1.500 291 HG12 ILE 41 HG13 ILE 41 1.693 -4.499 -3.634 292 HG13 ILE 41 3HG1 ILE 41 0.525 -4.963 -2.405 293 HG21 ILE 41 HG21 ILE 41 4.297 -5.109 -2.564 294 HG22 ILE 41 HG22 ILE 41 3.678 -5.026 -0.910 295 HG23 ILE 41 HG23 ILE 41 4.317 -6.547 -1.542 296 HD11 ILE 41 HD11 ILE 41 1.806 -3.784 -0.714 297 HD12 ILE 41 HD12 ILE 41 3.010 -3.347 -1.928 298 HD13 ILE 41 HD13 ILE 41 1.370 -2.708 -2.046 299 H GLY 42 H GLY 42 4.802 -7.356 -4.346 300 HA2 GLY 42 HA3 GLY 42 4.974 -9.928 -2.901 301 HA3 GLY 42 HA2 GLY 42 5.522 -9.775 -4.561 302 H ASN 43 H ASN 43 7.111 -10.684 -2.469 303 HA ASN 43 HA ASN 43 9.035 -8.481 -2.141 304 HB2 ASN 43 HB2 ASN 43 8.407 -9.163 0.035 305 HB3 ASN 43 HB3 ASN 43 8.435 -10.864 -0.398 306 HD21 ASN 43 HD21 ASN 43 9.751 -11.292 1.359 307 HD22 ASN 43 HD22 ASN 43 11.450 -10.925 1.340 308 H ASN 44 H ASN 44 10.504 -8.634 -3.702 309 HA ASN 44 HA ASN 44 11.401 -11.307 -4.537 310 HB2 ASN 44 HB2 ASN 44 10.607 -9.677 -6.280 311 HB3 ASN 44 HB3 ASN 44 11.982 -8.657 -5.874 312 HD21 ASN 44 HD21 ASN 44 10.960 -11.659 -7.294 313 HD22 ASN 44 HD22 ASN 44 12.447 -12.009 -8.115 314 H ASP 45 H ASP 45 12.613 -11.582 -2.594 315 HA ASP 45 HA ASP 45 14.482 -11.579 -1.304 316 HB2 ASP 45 HB2 ASP 45 15.763 -10.766 -3.920 317 HB3 ASP 45 HB3 ASP 45 16.643 -11.329 -2.502 318 H GLY 46 H GLY 46 13.179 -9.478 -0.584 319 HA2 GLY 46 HA3 GLY 46 13.573 -7.532 0.604 320 HA3 GLY 46 HA2 GLY 46 15.246 -7.586 0.067 321 H HIS 47 H HIS 47 12.416 -7.641 -2.011 322 HA HIS 47 HA HIS 47 12.790 -4.847 -2.753 323 HB2 HIS 47 HB2 HIS 47 13.266 -7.152 -4.633 324 HB3 HIS 47 HB3 HIS 47 12.723 -5.591 -5.233 325 HD1 HIS 47 HD1 HIS 47 14.414 -3.688 -5.296 326 HD2 HIS 47 HD2 HIS 47 15.927 -7.205 -3.672 327 HE1 HIS 47 HE1 HIS 47 16.904 -3.355 -5.149 328 HE2 HIS 47 HE2 HIS 47 17.794 -5.454 -4.083 329 H PHE 48 H PHE 48 10.776 -4.079 -2.522 330 HA PHE 48 HA PHE 48 8.439 -5.610 -2.715 331 HB2 PHE 48 HB2 PHE 48 8.939 -2.653 -2.838 332 HB3 PHE 48 HB3 PHE 48 7.321 -3.310 -3.079 333 HD1 PHE 48 HD1 PHE 48 6.531 -4.989 -1.228 334 HD2 PHE 48 HD2 PHE 48 9.602 -2.091 -0.710 335 HE1 PHE 48 HE1 PHE 48 6.197 -5.076 1.208 336 HE2 PHE 48 HE2 PHE 48 9.277 -2.178 1.730 337 HZ PHE 48 HZ PHE 48 7.573 -3.671 2.690 338 H GLN 49 H GLN 49 7.176 -6.211 -4.325 339 HA GLN 49 HA GLN 49 7.726 -5.154 -7.010 340 HB2 GLN 49 HB2 GLN 49 8.611 -7.278 -7.214 341 HB3 GLN 49 HB3 GLN 49 7.518 -7.964 -6.020 342 HG2 GLN 49 HG2 GLN 49 5.684 -7.837 -7.636 343 HG3 GLN 49 HG3 GLN 49 6.787 -7.173 -8.835 344 HE21 GLN 49 HE21 GLN 49 6.363 -8.897 -10.228 345 HE22 GLN 49 HE22 GLN 49 7.019 -10.481 -9.951 346 H TRP 50 H TRP 50 5.996 -4.091 -7.726 347 HA TRP 50 HA TRP 50 3.418 -4.468 -6.568 348 HB2 TRP 50 HB2 TRP 50 4.411 -2.876 -8.930 349 HB3 TRP 50 HB3 TRP 50 2.697 -2.986 -8.547 350 HD1 TRP 50 HD1 TRP 50 5.707 -0.970 -7.751 351 HE1 TRP 50 HE1 TRP 50 5.215 0.641 -5.788 352 HE3 TRP 50 HE3 TRP 50 1.302 -2.996 -6.139 353 HZ2 TRP 50 HZ2 TRP 50 3.219 0.982 -3.832 354 HZ3 TRP 50 HZ3 TRP 50 0.168 -1.973 -4.216 355 HH2 TRP 50 HH2 TRP 50 1.103 -0.022 -3.086 356 H GLY 51 H GLY 51 2.211 -6.148 -6.944 357 HA2 GLY 51 HA3 GLY 51 0.763 -7.373 -8.397 358 HA3 GLY 51 HA2 GLY 51 1.927 -7.146 -9.695 359 H GLY 52 H GLY 52 2.975 -8.089 -6.505 360 HA2 GLY 52 HA3 GLY 52 3.898 -10.617 -7.657 361 HA3 GLY 52 HA2 GLY 52 4.499 -9.874 -6.186 362 H GLN 53 H GLN 53 2.344 -9.514 -4.653 363 HA GLN 53 HA GLN 53 0.807 -10.461 -3.293 364 HB2 GLN 53 HB2 GLN 53 -0.579 -11.221 -4.991 365 HB3 GLN 53 HB3 GLN 53 0.602 -12.378 -5.586 366 HG2 GLN 53 HG2 GLN 53 0.225 -13.752 -3.579 367 HG3 GLN 53 HG3 GLN 53 -0.976 -12.585 -3.029 368 HE21 GLN 53 HE21 GLN 53 -1.237 -15.424 -3.646 369 HE22 GLN 53 HE22 GLN 53 -2.485 -15.534 -4.843 370 H ASN 54 H ASN 54 0.830 -11.817 -1.531 371 HA ASN 54 HA ASN 54 1.618 -13.251 0.033 372 HB2 ASN 54 HB2 ASN 54 2.821 -14.513 -2.392 373 HB3 ASN 54 HB3 ASN 54 3.386 -15.017 -0.804 374 HD21 ASN 54 HD21 ASN 54 2.571 -17.019 -0.794 375 HD22 ASN 54 HD22 ASN 54 0.872 -17.384 -0.822 376 H PHE 55 H PHE 55 2.917 -10.719 -0.588 377 HA PHE 55 HA PHE 55 5.730 -11.128 -0.160 378 HB2 PHE 55 HB2 PHE 55 5.972 -8.832 -0.352 379 HB3 PHE 55 HB3 PHE 55 4.483 -9.071 -1.255 380 HD1 PHE 55 HD2 PHE 55 2.287 -8.607 -0.108 381 HD2 PHE 55 HD1 PHE 55 6.039 -7.428 1.517 382 HE1 PHE 55 HE2 PHE 55 1.151 -6.968 1.326 383 HE2 PHE 55 HE1 PHE 55 4.906 -5.781 2.951 384 HZ PHE 55 HZ PHE 55 2.459 -5.550 2.857 385 H THR 56 H THR 56 2.908 -10.729 1.777 386 HA THR 56 HA THR 56 4.125 -9.884 4.175 387 HB THR 56 HB THR 56 1.990 -10.826 5.214 388 HG1 THR 56 HG1 THR 56 0.722 -10.874 2.794 389 HG21 THR 56 HG21 THR 56 0.603 -9.033 4.179 390 HG22 THR 56 HG22 THR 56 1.886 -8.792 2.992 391 HG23 THR 56 HG23 THR 56 2.197 -8.490 4.702 392 H GLU 57 H GLU 57 3.714 -13.010 2.697 393 HA GLU 57 HA GLU 57 4.199 -14.547 5.031 394 HB2 GLU 57 HB2 GLU 57 4.116 -16.403 3.667 395 HB3 GLU 57 HB3 GLU 57 3.242 -15.242 2.678 396 HG2 GLU 57 HG2 GLU 57 5.136 -14.889 1.288 397 HG3 GLU 57 HG3 GLU 57 6.163 -15.832 2.369 398 H THR 58 H THR 58 6.207 -12.689 2.997 399 HA THR 58 HA THR 58 8.598 -13.925 4.185 400 HB THR 58 HB THR 58 9.840 -13.218 2.166 401 HG1 THR 58 HG1 THR 58 7.920 -12.849 0.412 402 HG21 THR 58 HG21 THR 58 8.934 -14.884 0.638 403 HG22 THR 58 HG22 THR 58 7.406 -14.881 1.523 404 HG23 THR 58 HG23 THR 58 8.873 -15.487 2.297 405 H ALA 59 H ALA 59 6.705 -11.524 4.734 406 HA ALA 59 HA ALA 59 8.850 -9.547 5.109 407 HB1 ALA 59 HB1 ALA 59 7.261 -8.770 3.425 408 HB2 ALA 59 HB2 ALA 59 5.939 -8.970 4.576 409 HB3 ALA 59 HB3 ALA 59 7.196 -7.769 4.875 410 H GLU 60 H GLU 60 8.765 -8.291 6.976 411 HA GLU 60 HA GLU 60 6.931 -9.114 9.111 412 HB2 GLU 60 HB2 GLU 60 9.630 -8.688 10.111 413 HB3 GLU 60 HB3 GLU 60 8.522 -10.013 10.430 414 HG2 GLU 60 HG2 GLU 60 9.240 -11.090 8.338 415 HG3 GLU 60 HG3 GLU 60 10.385 -9.770 8.068 416 H ASP 61 H ASP 61 7.189 -7.553 11.019 417 HA ASP 61 HA ASP 61 6.969 -5.398 11.772 418 HB2 ASP 61 HB2 ASP 61 9.579 -5.856 11.320 419 HB3 ASP 61 HB3 ASP 61 9.324 -4.549 10.179 420 H ILE 62 H ILE 62 5.235 -5.695 9.770 421 HA ILE 62 HA ILE 62 5.711 -3.737 7.697 422 HB ILE 62 HB ILE 62 3.068 -5.105 8.134 423 HG12 ILE 62 HG13 ILE 62 5.638 -6.251 7.019 424 HG13 ILE 62 3HG1 ILE 62 4.601 -6.932 8.262 425 HG21 ILE 62 HG21 ILE 62 3.188 -3.372 6.438 426 HG22 ILE 62 HG22 ILE 62 4.575 -4.165 5.691 427 HG23 ILE 62 HG23 ILE 62 2.998 -4.951 5.677 428 HD11 ILE 62 HD11 ILE 62 3.951 -6.700 5.340 429 HD12 ILE 62 HD12 ILE 62 4.406 -8.169 6.205 430 HD13 ILE 62 HD13 ILE 62 2.882 -7.361 6.580 431 H ARG 63 H ARG 63 5.524 -1.702 8.148 432 HA ARG 63 HA ARG 63 3.186 -0.775 9.677 433 HB2 ARG 63 HB2 ARG 63 4.852 1.179 10.288 434 HB3 ARG 63 HB3 ARG 63 4.832 -0.307 11.227 435 HG2 ARG 63 HG2 ARG 63 6.631 -0.714 9.100 436 HG3 ARG 63 HG3 ARG 63 6.980 0.875 9.782 437 HD2 ARG 63 HD2 ARG 63 8.166 -1.147 10.791 438 HD3 ARG 63 HD3 ARG 63 7.416 0.001 11.900 439 HE ARG 63 HE ARG 63 6.019 -2.469 11.102 440 HH11 ARG 63 HH12 ARG 63 7.362 -0.359 13.539 441 HH12 ARG 63 HH11 ARG 63 6.717 -1.263 14.878 442 HH21 ARG 63 HH22 ARG 63 5.143 -3.680 12.859 443 HH22 ARG 63 HH21 ARG 63 5.475 -3.167 14.484 444 H PHE 64 H PHE 64 1.946 0.515 8.531 445 HA PHE 64 HA PHE 64 2.944 1.560 6.003 446 HB2 PHE 64 HB2 PHE 64 0.869 0.378 5.857 447 HB3 PHE 64 HB3 PHE 64 0.184 1.302 7.186 448 HD1 PHE 64 HD2 PHE 64 2.068 2.564 4.242 449 HD2 PHE 64 HD1 PHE 64 -1.668 2.301 6.253 450 HE1 PHE 64 HE2 PHE 64 1.108 4.193 2.667 451 HE2 PHE 64 HE1 PHE 64 -2.628 3.915 4.681 452 HZ PHE 64 HZ PHE 64 -1.247 4.861 2.879 453 H HIS 65 H HIS 65 3.343 3.596 5.589 454 HA HIS 65 HA HIS 65 2.491 5.620 7.563 455 HB2 HIS 65 HB2 HIS 65 5.024 5.009 7.404 456 HB3 HIS 65 HB3 HIS 65 4.983 5.931 5.905 457 HD1 HIS 65 HD1 HIS 65 6.480 7.811 6.827 458 HD2 HIS 65 HD2 HIS 65 3.019 7.197 9.040 459 HE1 HIS 65 HE1 HIS 65 6.324 9.764 8.396 460 HE2 HIS 65 HE2 HIS 65 4.140 9.463 9.607 461 HA PRO 66 HA PRO 66 0.329 6.523 3.588 462 HB2 PRO 66 HB2 PRO 66 -1.452 8.193 4.888 463 HB3 PRO 66 HB3 PRO 66 -1.691 6.485 4.570 464 HG2 PRO 66 HG2 PRO 66 -0.807 7.825 7.061 465 HG3 PRO 66 HG3 PRO 66 -1.852 6.409 6.851 466 HD2 PRO 66 HD2 PRO 66 0.723 6.189 7.621 467 HD3 PRO 66 HD3 PRO 66 -0.050 4.967 6.588 468 H LYS 67 H LYS 67 1.255 8.695 6.091 469 HA LYS 67 HA LYS 67 1.796 10.729 4.039 470 HB2 LYS 67 HB2 LYS 67 0.816 11.180 6.862 471 HB3 LYS 67 HB3 LYS 67 1.306 12.455 5.754 472 HG2 LYS 67 HG2 LYS 67 -0.838 12.544 5.175 473 HG3 LYS 67 HG3 LYS 67 -0.520 11.059 4.279 474 HD2 LYS 67 HD2 LYS 67 -1.377 9.709 5.997 475 HD3 LYS 67 HD3 LYS 67 -1.355 11.040 7.161 476 HE2 LYS 67 HE2 LYS 67 -3.112 10.835 4.720 477 HE3 LYS 67 HE3 LYS 67 -3.627 10.603 6.390 478 HZ1 LYS 67 HZ1 LYS 67 -4.190 12.814 5.659 479 HZ2 LYS 67 HZ2 LYS 67 -2.584 13.127 5.203 480 HZ3 LYS 67 HZ3 LYS 67 -2.974 12.914 6.838 481 H GLU 68 H GLU 68 3.945 9.911 3.907 482 HA GLU 68 HA GLU 68 5.723 9.888 6.086 483 HB2 GLU 68 HB2 GLU 68 6.443 8.733 4.164 484 HB3 GLU 68 HB3 GLU 68 6.142 10.111 3.114 485 HG2 GLU 68 HG2 GLU 68 8.032 11.270 3.931 486 HG3 GLU 68 HG3 GLU 68 8.242 10.129 5.264 487 H GLY 69 H GLY 69 6.108 11.554 7.338 488 HA2 GLY 69 HA3 GLY 69 6.610 13.651 8.079 489 HA3 GLY 69 HA2 GLY 69 7.486 13.829 6.567 490 H ALA 70 H ALA 70 6.937 16.021 6.486 491 HA ALA 70 HA ALA 70 4.195 16.878 6.411 492 HB1 ALA 70 HB1 ALA 70 5.112 19.073 5.885 493 HB2 ALA 70 HB2 ALA 70 5.998 18.338 7.221 494 HB3 ALA 70 HB3 ALA 70 6.700 18.358 5.605 495 H ALA 71 H ALA 71 5.961 15.146 4.307 496 HA ALA 71 HA ALA 71 5.156 16.448 1.851 497 HB1 ALA 71 HB1 ALA 71 6.606 13.844 2.361 498 HB2 ALA 71 HB2 ALA 71 6.313 14.550 0.768 499 HB3 ALA 71 HB3 ALA 71 7.334 15.394 1.931 500 H GLU 72 H GLU 72 3.914 14.152 4.024 501 HA GLU 72 HA GLU 72 2.236 12.636 4.005 502 HB2 GLU 72 HB2 GLU 72 1.159 14.653 2.039 503 HB3 GLU 72 HB3 GLU 72 0.214 13.302 2.649 504 HG2 GLU 72 HG2 GLU 72 0.825 14.204 4.976 505 HG3 GLU 72 HG3 GLU 72 1.258 15.682 4.121 506 H GLN 73 H GLN 73 4.344 11.788 2.574 507 HA GLN 73 HA GLN 73 3.373 10.769 0.028 508 HB2 GLN 73 HB2 GLN 73 5.732 11.698 0.436 509 HB3 GLN 73 HB3 GLN 73 6.046 10.199 1.296 510 HG2 GLN 73 HG2 GLN 73 6.880 9.968 -0.913 511 HG3 GLN 73 HG3 GLN 73 5.441 8.961 -0.767 512 HE21 GLN 73 HE21 GLN 73 6.741 10.126 -3.126 513 HE22 GLN 73 HE22 GLN 73 5.514 11.045 -3.921 514 HA PRO 74 HA PRO 74 2.104 7.107 2.295 515 HB2 PRO 74 HB2 PRO 74 0.828 5.903 0.250 516 HB3 PRO 74 HB3 PRO 74 0.111 7.240 1.155 517 HG2 PRO 74 HG2 PRO 74 1.501 7.282 -1.496 518 HG3 PRO 74 HG3 PRO 74 0.019 8.121 -0.999 519 HD2 PRO 74 HD2 PRO 74 2.449 9.335 -1.109 520 HD3 PRO 74 HD3 PRO 74 1.187 9.815 0.045 521 H ILE 75 H ILE 75 3.862 5.933 2.692 522 HA ILE 75 HA ILE 75 4.750 4.152 0.556 523 HB ILE 75 HB ILE 75 7.036 4.484 0.853 524 HG12 ILE 75 HG13 ILE 75 7.629 6.306 2.800 525 HG13 ILE 75 3HG1 ILE 75 6.300 5.419 3.544 526 HG21 ILE 75 HG21 ILE 75 6.109 6.339 -0.356 527 HG22 ILE 75 HG22 ILE 75 5.770 7.201 1.146 528 HG23 ILE 75 HG23 ILE 75 7.439 6.915 0.651 529 HD11 ILE 75 HD11 ILE 75 8.785 4.170 2.399 530 HD12 ILE 75 HD12 ILE 75 8.496 4.490 4.109 531 HD13 ILE 75 HD13 ILE 75 7.481 3.334 3.242 532 H LEU 76 H LEU 76 5.249 2.119 1.225 533 HA LEU 76 HA LEU 76 4.662 1.545 4.050 534 HB2 LEU 76 HB2 LEU 76 3.000 0.687 2.481 535 HB3 LEU 76 HB3 LEU 76 4.250 -0.131 1.572 536 HG LEU 76 HG LEU 76 2.693 -1.441 3.212 537 HD11 LEU 76 HD11 LEU 76 5.671 -1.901 3.103 538 HD12 LEU 76 HD12 LEU 76 4.463 -3.103 3.553 539 HD13 LEU 76 HD13 LEU 76 4.489 -2.449 1.913 540 HD21 LEU 76 HD21 LEU 76 3.202 -0.025 5.157 541 HD22 LEU 76 HD22 LEU 76 3.582 -1.728 5.427 542 HD23 LEU 76 HD23 LEU 76 4.876 -0.579 5.089 543 H ARG 77 H ARG 77 6.214 0.639 5.245 544 HA ARG 77 HA ARG 77 8.492 -0.572 3.836 545 HB2 ARG 77 HB2 ARG 77 10.049 0.302 5.407 546 HB3 ARG 77 HB3 ARG 77 9.059 1.653 4.881 547 HG2 ARG 77 HG2 ARG 77 8.488 0.160 7.421 548 HG3 ARG 77 HG3 ARG 77 9.636 1.497 7.356 549 HD2 ARG 77 HD2 ARG 77 6.723 1.595 6.613 550 HD3 ARG 77 HD3 ARG 77 7.447 2.277 8.071 551 HE ARG 77 HE ARG 77 7.902 3.240 5.321 552 HH11 ARG 77 HH12 ARG 77 7.808 3.814 8.775 553 HH12 ARG 77 HH11 ARG 77 8.298 5.484 8.631 554 HH21 ARG 77 HH22 ARG 77 8.541 5.435 5.142 555 HH22 ARG 77 HH21 ARG 77 8.723 6.395 6.579 556 H ALA 78 H ALA 78 9.359 -2.373 4.681 557 HA ALA 78 HA ALA 78 8.567 -3.502 7.201 558 HB1 ALA 78 HB1 ALA 78 7.587 -4.827 4.670 559 HB2 ALA 78 HB2 ALA 78 7.487 -5.504 6.294 560 HB3 ALA 78 HB3 ALA 78 6.577 -4.050 5.888 561 H ARG 79 H ARG 79 9.564 -5.731 7.450 562 HA ARG 79 HA ARG 79 12.236 -5.675 6.301 563 HB2 ARG 79 HB2 ARG 79 11.271 -7.886 8.086 564 HB3 ARG 79 HB3 ARG 79 12.872 -7.179 7.972 565 HG2 ARG 79 HG2 ARG 79 10.452 -6.041 9.358 566 HG3 ARG 79 HG3 ARG 79 11.965 -6.589 10.085 567 HD2 ARG 79 HD2 ARG 79 13.160 -4.761 8.970 568 HD3 ARG 79 HD3 ARG 79 11.645 -4.245 8.226 569 HE ARG 79 HE ARG 79 10.879 -3.925 10.631 570 HH11 ARG 79 HH12 ARG 79 14.233 -3.517 9.681 571 HH12 ARG 79 HH11 ARG 79 14.524 -2.261 10.841 572 HH21 ARG 79 HH22 ARG 79 11.262 -2.307 12.140 573 HH22 ARG 79 HH21 ARG 79 12.847 -1.590 12.262 574 H LEU 80 H LEU 80 12.586 -6.641 4.392 575 HA LEU 80 HA LEU 80 10.775 -8.789 3.562 576 HB2 LEU 80 HB2 LEU 80 12.455 -6.787 2.142 577 HB3 LEU 80 HB3 LEU 80 12.188 -8.328 1.352 578 HG LEU 80 HG LEU 80 9.903 -7.954 1.118 579 HD11 LEU 80 HD11 LEU 80 9.372 -7.328 3.371 580 HD12 LEU 80 HD12 LEU 80 10.106 -5.741 3.125 581 HD13 LEU 80 HD13 LEU 80 8.653 -6.189 2.231 582 HD21 LEU 80 HD21 LEU 80 9.687 -5.725 0.116 583 HD22 LEU 80 HD22 LEU 80 11.257 -5.301 0.798 584 HD23 LEU 80 HD23 LEU 80 11.136 -6.587 -0.404 585 H ARG 81 H ARG 81 11.371 -10.808 3.575 586 HA ARG 81 HA ARG 81 14.112 -11.535 4.181 587 HB2 ARG 81 HB2 ARG 81 12.419 -12.701 5.398 588 HB3 ARG 81 HB3 ARG 81 11.553 -13.122 3.929 589 HG2 ARG 81 HG2 ARG 81 14.316 -14.125 4.111 590 HG3 ARG 81 HG3 ARG 81 13.180 -14.808 5.269 591 HD2 ARG 81 HD2 ARG 81 11.643 -15.181 3.242 592 HD3 ARG 81 HD3 ARG 81 13.083 -14.852 2.272 593 HE ARG 81 HE ARG 81 13.913 -16.902 2.809 594 HH11 ARG 81 HH12 ARG 81 11.208 -16.212 4.946 595 HH12 ARG 81 HH11 ARG 81 11.105 -17.849 5.536 596 HH21 ARG 81 HH22 ARG 81 13.755 -19.044 3.575 597 HH22 ARG 81 HH21 ARG 81 12.565 -19.442 4.771 598 H ASP 82 H ASP 82 15.503 -12.693 2.890 599 HA ASP 82 HA ASP 82 14.777 -12.777 0.039 600 HB2 ASP 82 HB2 ASP 82 16.993 -12.421 -0.497 601 HB3 ASP 82 HB3 ASP 82 16.885 -11.548 1.029 602 H CYS 83 H CYS 83 16.032 -14.635 -1.175 603 HA CYS 83 HA CYS 83 14.964 -17.063 -0.322 604 HB2 CYS 83 HB2 CYS 83 17.278 -16.602 -2.210 605 HB3 CYS 83 HB3 CYS 83 16.395 -18.115 -2.046 606 HG CYS 83 HG CYS 83 15.155 -15.149 -3.215 607 H ASN 84 H ASN 84 17.963 -15.567 0.572 608 HA ASN 84 HA ASN 84 19.268 -17.954 1.464 609 HB2 ASN 84 HB2 ASN 84 20.590 -16.009 0.866 610 HB3 ASN 84 HB3 ASN 84 19.787 -15.041 2.096 611 HD21 ASN 84 HD21 ASN 84 20.472 -15.137 4.163 612 HD22 ASN 84 HD22 ASN 84 21.858 -16.037 4.681 613 H GLY 85 H GLY 85 16.948 -15.778 2.798 614 HA2 GLY 85 HA3 GLY 85 15.523 -16.483 4.572 615 HA3 GLY 85 HA2 GLY 85 16.839 -17.458 5.210 616 H GLU 86 H GLU 86 17.018 -14.090 4.175 617 HA GLU 86 HA GLU 86 17.677 -13.409 6.970 618 HB2 GLU 86 HB2 GLU 86 19.125 -11.676 6.193 619 HB3 GLU 86 HB3 GLU 86 19.522 -13.114 5.267 620 HG2 GLU 86 HG2 GLU 86 18.504 -12.286 3.329 621 HG3 GLU 86 HG3 GLU 86 17.651 -11.024 4.214 622 H PHE 87 H PHE 87 17.491 -10.655 6.734 623 HA PHE 87 HA PHE 87 14.828 -10.092 5.725 624 HB2 PHE 87 HB2 PHE 87 14.053 -9.121 7.838 625 HB3 PHE 87 HB3 PHE 87 14.428 -10.825 8.048 626 HD1 PHE 87 HD2 PHE 87 16.558 -11.469 9.201 627 HD2 PHE 87 HD1 PHE 87 15.127 -7.460 9.112 628 HE1 PHE 87 HE2 PHE 87 18.011 -10.909 11.106 629 HE2 PHE 87 HE1 PHE 87 16.573 -6.898 11.019 630 HZ PHE 87 HZ PHE 87 18.019 -8.623 12.018 631 H HIS 88 H HIS 88 14.699 -8.128 4.907 632 HA HIS 88 HA HIS 88 16.674 -6.116 5.700 633 HB2 HIS 88 HB2 HIS 88 16.891 -7.598 3.336 634 HB3 HIS 88 HB3 HIS 88 16.211 -6.053 2.839 635 HD1 HIS 88 HD1 HIS 88 19.335 -7.673 3.915 636 HD2 HIS 88 HD2 HIS 88 17.890 -3.792 3.455 637 HE1 HIS 88 HE1 HIS 88 21.363 -6.179 3.946 638 HE2 HIS 88 HE2 HIS 88 20.472 -3.834 3.667 639 H ASP 89 H ASP 89 15.467 -4.484 6.395 640 HA ASP 89 HA ASP 89 12.759 -4.126 5.688 641 HB2 ASP 89 HB2 ASP 89 13.006 -1.897 6.837 642 HB3 ASP 89 HB3 ASP 89 13.448 -3.298 7.804 643 H ARG 90 H ARG 90 12.006 -3.530 3.821 644 HA ARG 90 HA ARG 90 13.476 -1.463 2.309 645 HB2 ARG 90 HB2 ARG 90 11.611 -3.619 1.291 646 HB3 ARG 90 HB3 ARG 90 12.385 -2.397 0.291 647 HG2 ARG 90 HG2 ARG 90 13.798 -4.524 1.885 648 HG3 ARG 90 HG3 ARG 90 13.523 -4.543 0.143 649 HD2 ARG 90 HD2 ARG 90 14.829 -2.415 -0.002 650 HD3 ARG 90 HD3 ARG 90 15.212 -2.603 1.711 651 HE ARG 90 HE ARG 90 15.855 -4.944 0.219 652 HH11 ARG 90 HH12 ARG 90 17.038 -1.721 0.968 653 HH12 ARG 90 HH11 ARG 90 18.701 -2.148 0.709 654 HH21 ARG 90 HH22 ARG 90 18.038 -5.489 -0.134 655 HH22 ARG 90 HH21 ARG 90 19.270 -4.269 0.082 656 H ASP 91 H ASP 91 11.761 -0.408 0.704 657 HA ASP 91 HA ASP 91 9.247 0.099 2.063 658 HB2 ASP 91 HB2 ASP 91 9.540 2.552 1.886 659 HB3 ASP 91 HB3 ASP 91 10.690 1.822 2.999 660 H VAL 92 H VAL 92 7.669 0.909 0.692 661 HA VAL 92 HA VAL 92 8.421 1.033 -2.137 662 HB VAL 92 HB VAL 92 7.515 -1.197 -1.618 663 HG11 VAL 92 HG11 VAL 92 5.988 -0.621 0.185 664 HG12 VAL 92 HG12 VAL 92 4.967 0.260 -0.953 665 HG13 VAL 92 HG13 VAL 92 5.146 -1.488 -1.101 666 HG21 VAL 92 HG21 VAL 92 7.324 -0.340 -3.831 667 HG22 VAL 92 HG22 VAL 92 5.873 -1.262 -3.431 668 HG23 VAL 92 HG23 VAL 92 5.830 0.502 -3.417 669 H ASN 93 H ASN 93 7.195 2.344 -3.412 670 HA ASN 93 HA ASN 93 5.887 4.513 -2.007 671 HB2 ASN 93 HB2 ASN 93 6.737 4.087 -4.864 672 HB3 ASN 93 HB3 ASN 93 5.746 5.459 -4.393 673 HD21 ASN 93 HD21 ASN 93 7.047 5.675 -1.770 674 HD22 ASN 93 HD22 ASN 93 8.595 6.390 -2.068 675 H LEU 94 H LEU 94 3.835 4.264 -1.464 676 HA LEU 94 HA LEU 94 2.090 2.525 -2.936 677 HB2 LEU 94 HB2 LEU 94 1.541 4.360 -0.608 678 HB3 LEU 94 HB3 LEU 94 0.369 3.251 -1.294 679 HG LEU 94 HG LEU 94 2.742 2.690 0.417 680 HD11 LEU 94 HD11 LEU 94 0.526 2.787 1.388 681 HD12 LEU 94 HD12 LEU 94 -0.046 1.570 0.245 682 HD13 LEU 94 HD13 LEU 94 1.161 1.142 1.458 683 HD21 LEU 94 HD21 LEU 94 1.563 0.668 -1.484 684 HD22 LEU 94 HD22 LEU 94 3.180 1.366 -1.603 685 HD23 LEU 94 HD23 LEU 94 2.758 0.348 -0.226 686 H ASN 95 H ASN 95 3.127 5.528 -3.612 687 HA ASN 95 HA ASN 95 0.791 6.916 -4.362 688 HB2 ASN 95 HB2 ASN 95 3.457 7.125 -5.771 689 HB3 ASN 95 HB3 ASN 95 2.197 8.350 -5.674 690 HD21 ASN 95 HD21 ASN 95 4.930 6.976 -4.209 691 HD22 ASN 95 HD22 ASN 95 4.979 7.979 -2.817 692 H ARG 96 H ARG 96 2.101 4.090 -5.540 693 HA ARG 96 HA ARG 96 1.420 4.334 -8.298 694 HB2 ARG 96 HB2 ARG 96 2.153 2.075 -6.474 695 HB3 ARG 96 HB3 ARG 96 1.470 1.716 -8.048 696 HG2 ARG 96 HG2 ARG 96 3.934 1.643 -7.996 697 HG3 ARG 96 HG3 ARG 96 3.292 2.797 -9.162 698 HD2 ARG 96 HD2 ARG 96 4.080 3.682 -6.405 699 HD3 ARG 96 HD3 ARG 96 5.296 3.483 -7.672 700 HE ARG 96 HE ARG 96 2.964 5.176 -8.168 701 HH11 ARG 96 HH12 ARG 96 6.432 4.856 -7.764 702 HH12 ARG 96 HH11 ARG 96 6.757 6.501 -8.242 703 HH21 ARG 96 HH22 ARG 96 3.394 7.313 -8.809 704 HH22 ARG 96 HH21 ARG 96 5.027 7.895 -8.845 705 H ILE 97 H ILE 97 -0.295 3.790 -5.406 706 HA ILE 97 HA ILE 97 -2.541 2.468 -6.652 707 HB ILE 97 HB ILE 97 -2.271 3.607 -3.867 708 HG12 ILE 97 HG13 ILE 97 -2.130 0.686 -4.471 709 HG13 ILE 97 3HG1 ILE 97 -0.702 1.666 -4.790 710 HG21 ILE 97 HG21 ILE 97 -4.241 1.633 -5.022 711 HG22 ILE 97 HG22 ILE 97 -4.137 2.110 -3.327 712 HG23 ILE 97 HG23 ILE 97 -4.586 3.296 -4.553 713 HD11 ILE 97 HD11 ILE 97 -0.645 0.622 -2.584 714 HD12 ILE 97 HD12 ILE 97 -0.646 2.385 -2.493 715 HD13 ILE 97 HD13 ILE 97 -2.123 1.484 -2.150 716 H GLN 98 H GLN 98 -4.105 3.480 -7.614 717 HA GLN 98 HA GLN 98 -4.532 6.346 -7.127 718 HB2 GLN 98 HB2 GLN 98 -4.518 4.701 -9.593 719 HB3 GLN 98 HB3 GLN 98 -5.791 5.904 -9.486 720 HG2 GLN 98 HG2 GLN 98 -3.839 6.737 -10.684 721 HG3 GLN 98 HG3 GLN 98 -4.157 7.665 -9.221 722 HE21 GLN 98 HE21 GLN 98 -2.054 5.374 -10.765 723 HE22 GLN 98 HE22 GLN 98 -0.731 5.537 -9.662 724 H ASN 99 H ASN 99 -6.768 7.060 -7.379 725 HA ASN 99 HA ASN 99 -8.619 5.035 -6.313 726 HB2 ASN 99 HB2 ASN 99 -8.547 6.738 -4.732 727 HB3 ASN 99 HB3 ASN 99 -8.357 8.000 -5.945 728 HD21 ASN 99 HD21 ASN 99 -10.126 8.962 -6.799 729 HD22 ASN 99 HD22 ASN 99 -11.742 8.628 -6.272 730 H VAL 100 H VAL 100 -10.073 4.284 -7.665 731 HA VAL 100 HA VAL 100 -10.883 5.972 -9.940 732 HB VAL 100 HB VAL 100 -10.982 2.954 -9.772 733 HG11 VAL 100 HG11 VAL 100 -11.426 3.077 -12.189 734 HG12 VAL 100 HG12 VAL 100 -12.688 3.855 -11.234 735 HG13 VAL 100 HG13 VAL 100 -11.486 4.837 -12.071 736 HG21 VAL 100 HG21 VAL 100 -8.681 3.706 -9.837 737 HG22 VAL 100 HG22 VAL 100 -9.126 2.994 -11.387 738 HG23 VAL 100 HG23 VAL 100 -9.035 4.747 -11.215 739 H ASN 101 H ASN 101 -12.586 7.009 -9.013 740 HA ASN 101 HA ASN 101 -14.705 7.379 -8.323 741 HB2 ASN 101 HB2 ASN 101 -15.109 5.934 -10.377 742 HB3 ASN 101 HB3 ASN 101 -15.368 4.596 -9.262 743 HD21 ASN 101 HD21 ASN 101 -17.499 4.342 -9.858 744 HD22 ASN 101 HD22 ASN 101 -18.736 5.472 -9.418 745 H GLY 102 H GLY 102 -12.779 5.990 -6.502 746 HA2 GLY 102 HA3 GLY 102 -13.311 5.864 -4.139 747 HA3 GLY 102 HA2 GLY 102 -14.825 5.094 -4.580 748 H ARG 103 H ARG 103 -11.989 4.043 -6.250 749 HA ARG 103 HA ARG 103 -11.800 1.737 -4.443 750 HB2 ARG 103 HB2 ARG 103 -11.802 0.179 -6.217 751 HB3 ARG 103 HB3 ARG 103 -13.142 1.267 -6.549 752 HG2 ARG 103 HG2 ARG 103 -11.754 2.475 -8.161 753 HG3 ARG 103 HG3 ARG 103 -10.429 1.357 -7.843 754 HD2 ARG 103 HD2 ARG 103 -11.519 0.652 -9.841 755 HD3 ARG 103 HD3 ARG 103 -11.915 -0.503 -8.569 756 HE ARG 103 HE ARG 103 -13.980 1.289 -8.523 757 HH11 ARG 103 HH12 ARG 103 -12.502 -0.717 -10.996 758 HH12 ARG 103 HH11 ARG 103 -13.993 -0.969 -11.859 759 HH21 ARG 103 HH22 ARG 103 -15.936 0.983 -9.694 760 HH22 ARG 103 HH21 ARG 103 -15.929 0.007 -11.127 761 H LEU 104 H LEU 104 -9.807 0.995 -4.027 762 HA LEU 104 HA LEU 104 -7.554 2.595 -4.894 763 HB2 LEU 104 HB2 LEU 104 -7.749 0.264 -2.973 764 HB3 LEU 104 HB3 LEU 104 -6.296 1.209 -3.257 765 HG LEU 104 HG LEU 104 -8.873 2.185 -2.028 766 HD11 LEU 104 HD11 LEU 104 -6.113 1.810 -0.878 767 HD12 LEU 104 HD12 LEU 104 -7.498 2.499 -0.035 768 HD13 LEU 104 HD13 LEU 104 -7.529 0.811 -0.541 769 HD21 LEU 104 HD21 LEU 104 -7.927 3.946 -3.379 770 HD22 LEU 104 HD22 LEU 104 -7.658 4.297 -1.672 771 HD23 LEU 104 HD23 LEU 104 -6.336 3.682 -2.664 772 H VAL 105 H VAL 105 -6.525 2.144 -6.703 773 HA VAL 105 HA VAL 105 -6.173 -0.683 -7.489 774 HB VAL 105 HB VAL 105 -6.430 1.660 -9.387 775 HG11 VAL 105 HG11 VAL 105 -6.570 -0.055 -11.122 776 HG12 VAL 105 HG12 VAL 105 -5.047 -0.156 -10.239 777 HG13 VAL 105 HG13 VAL 105 -6.337 -1.309 -9.905 778 HG21 VAL 105 HG21 VAL 105 -8.447 -0.466 -8.674 779 HG22 VAL 105 HG22 VAL 105 -8.566 1.260 -8.326 780 HG23 VAL 105 HG23 VAL 105 -8.615 0.691 -9.996 781 H PHE 106 H PHE 106 -4.121 -1.299 -7.570 782 HA PHE 106 HA PHE 106 -2.003 0.622 -7.219 783 HB2 PHE 106 HB2 PHE 106 -0.590 -1.216 -6.796 784 HB3 PHE 106 HB3 PHE 106 -2.150 -1.699 -6.139 785 HD1 PHE 106 HD2 PHE 106 -3.667 -3.100 -7.763 786 HD2 PHE 106 HD1 PHE 106 0.547 -2.650 -8.190 787 HE1 PHE 106 HE2 PHE 106 -3.589 -5.138 -9.137 788 HE2 PHE 106 HE1 PHE 106 0.626 -4.688 -9.568 789 HZ PHE 106 HZ PHE 106 -1.443 -5.935 -10.044 790 H GLN 107 H GLN 107 -0.340 1.093 -8.637 791 HA GLN 107 HA GLN 107 0.786 1.373 -10.572 792 HB2 GLN 107 HB2 GLN 107 -0.575 -1.215 -11.231 793 HB3 GLN 107 HB3 GLN 107 0.366 -0.360 -12.446 794 HG2 GLN 107 HG2 GLN 107 1.408 -1.249 -9.767 795 HG3 GLN 107 HG3 GLN 107 1.639 -2.116 -11.285 796 HE21 GLN 107 HE21 GLN 107 3.634 -0.994 -9.495 797 HE22 GLN 107 HE22 GLN 107 4.554 0.123 -10.441 Start of MODEL 28 1 H MET 1 H MET 1 -3.439 12.476 -10.538 2 HA MET 1 HA MET 1 -1.348 11.811 -9.582 3 HB2 MET 1 HB2 MET 1 -2.469 13.752 -8.618 4 HB3 MET 1 HB3 MET 1 -3.403 12.715 -7.552 5 HG2 MET 1 HG2 MET 1 -1.540 13.837 -6.412 6 HG3 MET 1 HG3 MET 1 -1.426 12.079 -6.346 7 HE1 MET 1 HE1 MET 1 2.329 13.216 -6.489 8 HE2 MET 1 HE2 MET 1 1.011 14.063 -5.680 9 HE3 MET 1 HE3 MET 1 1.118 12.305 -5.588 10 H SER 2 H SER 2 -3.520 10.928 -6.926 11 HA SER 2 HA SER 2 -2.889 8.137 -7.024 12 HB2 SER 2 HB2 SER 2 -1.739 9.689 -4.691 13 HB3 SER 2 HB3 SER 2 -1.587 7.963 -5.004 14 HG SER 2 HG SER 2 -0.577 8.911 -7.106 15 H TYR 3 H TYR 3 -3.686 7.103 -4.865 16 HA TYR 3 HA TYR 3 -6.333 8.020 -4.421 17 HB2 TYR 3 HB2 TYR 3 -6.587 6.155 -3.010 18 HB3 TYR 3 HB3 TYR 3 -5.382 5.635 -4.180 19 HD1 TYR 3 HD2 TYR 3 -2.893 5.885 -3.458 20 HD2 TYR 3 HD1 TYR 3 -6.166 5.926 -0.741 21 HE1 TYR 3 HE2 TYR 3 -1.368 5.312 -1.620 22 HE2 TYR 3 HE1 TYR 3 -4.654 5.343 1.106 23 HH TYR 3 HH TYR 3 -1.272 5.502 0.825 24 H ALA 4 H ALA 4 -3.283 8.438 -2.811 25 HA ALA 4 HA ALA 4 -4.055 9.458 -0.346 26 HB1 ALA 4 HB1 ALA 4 -1.776 8.756 -0.906 27 HB2 ALA 4 HB2 ALA 4 -1.604 10.170 -1.945 28 HB3 ALA 4 HB3 ALA 4 -1.814 10.375 -0.207 29 H ASP 5 H ASP 5 -4.272 10.908 -3.445 30 HA ASP 5 HA ASP 5 -4.058 13.627 -2.770 31 HB2 ASP 5 HB2 ASP 5 -4.002 12.885 -5.088 32 HB3 ASP 5 HB3 ASP 5 -5.651 12.278 -4.960 33 H SER 6 H SER 6 -6.602 11.311 -2.353 34 HA SER 6 HA SER 6 -8.163 13.318 -0.911 35 HB2 SER 6 HB2 SER 6 -9.388 11.497 -3.001 36 HB3 SER 6 HB3 SER 6 -10.242 12.681 -2.012 37 HG SER 6 HG SER 6 -8.152 13.782 -3.380 38 H SER 7 H SER 7 -6.545 11.232 0.115 39 HA SER 7 HA SER 7 -8.572 9.319 1.069 40 HB2 SER 7 HB2 SER 7 -6.777 7.710 1.421 41 HB3 SER 7 HB3 SER 7 -6.738 8.285 -0.248 42 HG SER 7 HG SER 7 -5.229 9.771 1.511 43 H ARG 8 H ARG 8 -8.447 8.612 3.231 44 HA ARG 8 HA ARG 8 -6.776 10.061 5.105 45 HB2 ARG 8 HB2 ARG 8 -8.429 11.207 6.233 46 HB3 ARG 8 HB3 ARG 8 -9.048 11.321 4.591 47 HG2 ARG 8 HG2 ARG 8 -10.144 8.971 5.484 48 HG3 ARG 8 HG3 ARG 8 -10.159 9.986 6.927 49 HD2 ARG 8 HD2 ARG 8 -12.217 10.349 5.812 50 HD3 ARG 8 HD3 ARG 8 -11.220 11.773 5.520 51 HE ARG 8 HE ARG 8 -10.705 10.725 3.307 52 HH11 ARG 8 HH12 ARG 8 -13.600 9.832 5.042 53 HH12 ARG 8 HH11 ARG 8 -14.506 9.497 3.601 54 HH21 ARG 8 HH22 ARG 8 -11.877 10.314 1.407 55 HH22 ARG 8 HH21 ARG 8 -13.517 9.768 1.519 56 H ASN 9 H ASN 9 -7.115 9.176 7.328 57 HA ASN 9 HA ASN 9 -7.043 7.398 8.752 58 HB2 ASN 9 HB2 ASN 9 -9.604 7.754 8.107 59 HB3 ASN 9 HB3 ASN 9 -9.401 6.148 7.420 60 HD21 ASN 9 HD21 ASN 9 -8.711 4.441 8.834 61 HD22 ASN 9 HD22 ASN 9 -9.089 4.516 10.521 62 H ALA 10 H ALA 10 -5.508 7.113 6.362 63 HA ALA 10 HA ALA 10 -5.862 4.455 5.349 64 HB1 ALA 10 HB1 ALA 10 -3.860 4.875 4.068 65 HB2 ALA 10 HB2 ALA 10 -4.893 6.300 4.010 66 HB3 ALA 10 HB3 ALA 10 -3.477 6.281 5.061 67 H VAL 11 H VAL 11 -5.381 2.701 6.481 68 HA VAL 11 HA VAL 11 -2.910 2.626 8.065 69 HB VAL 11 HB VAL 11 -5.512 1.561 9.190 70 HG11 VAL 11 HG11 VAL 11 -2.811 2.025 10.451 71 HG12 VAL 11 HG12 VAL 11 -4.249 1.442 11.291 72 HG13 VAL 11 HG13 VAL 11 -3.512 0.464 10.022 73 HG21 VAL 11 HG21 VAL 11 -5.501 3.454 10.752 74 HG22 VAL 11 HG22 VAL 11 -4.140 4.158 9.879 75 HG23 VAL 11 HG23 VAL 11 -5.703 3.981 9.080 76 H LEU 12 H LEU 12 -2.143 0.451 8.430 77 HA LEU 12 HA LEU 12 -3.015 -1.402 6.353 78 HB2 LEU 12 HB2 LEU 12 -0.519 -0.754 7.488 79 HB3 LEU 12 HB3 LEU 12 -0.872 -2.381 8.026 80 HG LEU 12 HG LEU 12 -1.023 -3.188 5.775 81 HD11 LEU 12 HD11 LEU 12 -0.687 -0.317 4.906 82 HD12 LEU 12 HD12 LEU 12 -0.721 -1.721 3.839 83 HD13 LEU 12 HD13 LEU 12 -2.157 -1.280 4.764 84 HD21 LEU 12 HD21 LEU 12 1.240 -2.655 4.950 85 HD22 LEU 12 HD22 LEU 12 1.342 -1.350 6.131 86 HD23 LEU 12 HD23 LEU 12 1.215 -3.020 6.675 87 H THR 13 H THR 13 -3.852 -3.406 6.761 88 HA THR 13 HA THR 13 -4.465 -4.077 9.556 89 HB THR 13 HB THR 13 -6.300 -4.611 7.208 90 HG1 THR 13 HG1 THR 13 -6.316 -2.421 9.055 91 HG21 THR 13 HG21 THR 13 -6.617 -6.008 9.218 92 HG22 THR 13 HG22 THR 13 -7.993 -4.943 8.932 93 HG23 THR 13 HG23 THR 13 -6.819 -4.547 10.188 94 H ASN 14 H ASN 14 -4.897 -6.394 9.869 95 HA ASN 14 HA ASN 14 -4.547 -8.634 9.586 96 HB2 ASN 14 HB2 ASN 14 -5.162 -7.848 7.074 97 HB3 ASN 14 HB3 ASN 14 -3.509 -8.405 6.823 98 HD21 ASN 14 HD21 ASN 14 -5.900 -9.562 5.756 99 HD22 ASN 14 HD22 ASN 14 -5.990 -11.189 6.352 100 H GLY 15 H GLY 15 -2.359 -6.361 9.784 101 HA2 GLY 15 HA3 GLY 15 -0.200 -6.643 10.697 102 HA3 GLY 15 HA2 GLY 15 -0.164 -8.275 10.039 103 H GLY 16 H GLY 16 -1.245 -5.749 7.998 104 HA2 GLY 16 HA3 GLY 16 0.071 -4.420 6.511 105 HA3 GLY 16 HA2 GLY 16 1.400 -5.547 6.738 106 H ARG 17 H ARG 17 -1.742 -6.858 6.264 107 HA ARG 17 HA ARG 17 -0.901 -7.748 3.599 108 HB2 ARG 17 HB2 ARG 17 -3.216 -8.926 5.092 109 HB3 ARG 17 HB3 ARG 17 -2.187 -9.672 3.877 110 HG2 ARG 17 HG2 ARG 17 -0.324 -9.505 5.624 111 HG3 ARG 17 HG3 ARG 17 -1.617 -9.180 6.775 112 HD2 ARG 17 HD2 ARG 17 -1.060 -11.546 6.758 113 HD3 ARG 17 HD3 ARG 17 -2.699 -11.281 6.167 114 HE ARG 17 HE ARG 17 -0.491 -11.599 4.253 115 HH11 ARG 17 HH12 ARG 17 -3.498 -12.730 5.631 116 HH12 ARG 17 HH11 ARG 17 -3.768 -13.928 4.405 117 HH21 ARG 17 HH22 ARG 17 -0.840 -13.190 2.631 118 HH22 ARG 17 HH21 ARG 17 -2.268 -14.177 2.689 119 H THR 18 H THR 18 -3.144 -5.771 5.250 120 HA THR 18 HA THR 18 -4.661 -5.430 2.755 121 HB THR 18 HB THR 18 -5.823 -5.347 5.545 122 HG1 THR 18 HG1 THR 18 -6.193 -7.274 3.455 123 HG21 THR 18 HG21 THR 18 -7.986 -5.215 4.380 124 HG22 THR 18 HG22 THR 18 -7.136 -5.109 2.837 125 HG23 THR 18 HG23 THR 18 -6.959 -3.823 4.033 126 H LEU 19 H LEU 19 -4.710 -3.434 2.028 127 HA LEU 19 HA LEU 19 -3.879 -1.217 3.735 128 HB2 LEU 19 HB2 LEU 19 -2.710 -1.414 1.641 129 HB3 LEU 19 HB3 LEU 19 -4.215 -1.540 0.755 130 HG LEU 19 HG LEU 19 -4.728 0.803 1.308 131 HD11 LEU 19 HD11 LEU 19 -1.989 0.786 2.563 132 HD12 LEU 19 HD12 LEU 19 -2.979 2.218 2.278 133 HD13 LEU 19 HD13 LEU 19 -3.524 0.980 3.410 134 HD21 LEU 19 HD21 LEU 19 -2.050 0.309 0.017 135 HD22 LEU 19 HD22 LEU 19 -3.624 0.261 -0.775 136 HD23 LEU 19 HD23 LEU 19 -3.002 1.786 -0.144 137 H ARG 20 H ARG 20 -5.534 -0.275 4.794 138 HA ARG 20 HA ARG 20 -8.108 -0.017 3.382 139 HB2 ARG 20 HB2 ARG 20 -7.739 -1.359 5.655 140 HB3 ARG 20 HB3 ARG 20 -7.911 0.246 6.347 141 HG2 ARG 20 HG2 ARG 20 -9.925 -1.016 4.510 142 HG3 ARG 20 HG3 ARG 20 -10.003 -1.089 6.268 143 HD2 ARG 20 HD2 ARG 20 -9.978 1.443 4.636 144 HD3 ARG 20 HD3 ARG 20 -11.422 0.685 5.308 145 HE ARG 20 HE ARG 20 -9.223 1.850 6.900 146 HH11 ARG 20 HH12 ARG 20 -12.575 0.858 6.539 147 HH12 ARG 20 HH11 ARG 20 -13.083 1.591 8.035 148 HH21 ARG 20 HH22 ARG 20 -9.878 2.762 8.874 149 HH22 ARG 20 HH21 ARG 20 -11.550 2.702 9.348 150 H ALA 21 H ALA 21 -8.721 1.984 2.857 151 HA ALA 21 HA ALA 21 -8.023 4.243 4.558 152 HB1 ALA 21 HB1 ALA 21 -7.069 5.543 2.730 153 HB2 ALA 21 HB2 ALA 21 -6.120 4.087 3.031 154 HB3 ALA 21 HB3 ALA 21 -7.217 4.156 1.651 155 H GLU 22 H GLU 22 -9.134 6.228 3.881 156 HA GLU 22 HA GLU 22 -11.685 5.613 2.525 157 HB2 GLU 22 HB2 GLU 22 -11.215 7.962 4.343 158 HB3 GLU 22 HB3 GLU 22 -12.741 7.214 3.893 159 HG2 GLU 22 HG2 GLU 22 -11.987 5.182 5.171 160 HG3 GLU 22 HG3 GLU 22 -10.649 6.167 5.771 161 H CYS 23 H CYS 23 -11.758 6.397 0.509 162 HA CYS 23 HA CYS 23 -10.555 9.031 -0.010 163 HB2 CYS 23 HB2 CYS 23 -9.095 7.167 -0.828 164 HB3 CYS 23 HB3 CYS 23 -10.399 6.679 -1.903 165 HG CYS 23 HG CYS 23 -8.052 8.916 -2.385 166 H ARG 24 H ARG 24 -11.659 10.334 -1.420 167 HA ARG 24 HA ARG 24 -14.449 9.825 -1.746 168 HB2 ARG 24 HB2 ARG 24 -14.507 12.057 -1.804 169 HB3 ARG 24 HB3 ARG 24 -12.752 12.093 -1.763 170 HG2 ARG 24 HG2 ARG 24 -14.257 11.801 -4.340 171 HG3 ARG 24 HG3 ARG 24 -13.945 13.380 -3.616 172 HD2 ARG 24 HD2 ARG 24 -11.765 13.339 -4.166 173 HD3 ARG 24 HD3 ARG 24 -11.601 11.622 -3.789 174 HE ARG 24 HE ARG 24 -13.069 11.651 -6.084 175 HH11 ARG 24 HH12 ARG 24 -9.973 12.990 -5.121 176 HH12 ARG 24 HH11 ARG 24 -9.277 12.875 -6.711 177 HH21 ARG 24 HH22 ARG 24 -12.152 11.499 -8.191 178 HH22 ARG 24 HH21 ARG 24 -10.529 12.055 -8.461 179 H ASN 25 H ASN 25 -15.613 9.482 -3.649 180 HA ASN 25 HA ASN 25 -14.131 8.090 -5.720 181 HB2 ASN 25 HB2 ASN 25 -16.230 7.293 -6.506 182 HB3 ASN 25 HB3 ASN 25 -16.262 7.212 -4.757 183 HD21 ASN 25 HD21 ASN 25 -18.486 7.203 -6.509 184 HD22 ASN 25 HD22 ASN 25 -19.446 8.595 -6.129 185 H ALA 26 H ALA 26 -15.675 8.475 -7.944 186 HA ALA 26 HA ALA 26 -14.547 10.791 -9.064 187 HB1 ALA 26 HB1 ALA 26 -15.847 10.248 -11.045 188 HB2 ALA 26 HB2 ALA 26 -15.121 8.793 -10.361 189 HB3 ALA 26 HB3 ALA 26 -16.834 9.128 -10.106 190 H ASP 27 H ASP 27 -17.722 10.168 -7.673 191 HA ASP 27 HA ASP 27 -18.937 12.573 -8.616 192 HB2 ASP 27 HB2 ASP 27 -20.172 10.503 -7.867 193 HB3 ASP 27 HB3 ASP 27 -19.758 10.931 -6.213 194 H GLY 28 H GLY 28 -16.862 11.789 -5.983 195 HA2 GLY 28 HA3 GLY 28 -15.684 13.531 -4.820 196 HA3 GLY 28 HA2 GLY 28 -17.101 14.557 -5.012 197 H ASN 29 H ASN 29 -17.947 11.423 -4.256 198 HA ASN 29 HA ASN 29 -18.695 12.191 -1.544 199 HB2 ASN 29 HB2 ASN 29 -20.132 10.922 -3.395 200 HB3 ASN 29 HB3 ASN 29 -19.317 9.517 -2.719 201 HD21 ASN 29 HD21 ASN 29 -19.850 8.791 -0.699 202 HD22 ASN 29 HD22 ASN 29 -21.201 9.413 0.198 203 H TRP 30 H TRP 30 -18.040 11.054 0.267 204 HA TRP 30 HA TRP 30 -15.416 9.945 0.155 205 HB2 TRP 30 HB2 TRP 30 -17.408 10.401 2.354 206 HB3 TRP 30 HB3 TRP 30 -15.912 9.519 2.651 207 HD1 TRP 30 HD1 TRP 30 -14.821 11.895 0.239 208 HE1 TRP 30 HE1 TRP 30 -13.828 14.008 1.322 209 HE3 TRP 30 HE3 TRP 30 -16.692 11.329 4.961 210 HZ2 TRP 30 HZ2 TRP 30 -13.837 15.259 3.848 211 HZ3 TRP 30 HZ3 TRP 30 -16.152 13.036 6.650 212 HH2 TRP 30 HH2 TRP 30 -14.756 14.960 6.102 213 H VAL 31 H VAL 31 -14.843 7.927 -0.186 214 HA VAL 31 HA VAL 31 -16.750 5.768 0.449 215 HB VAL 31 HB VAL 31 -14.747 5.612 -1.796 216 HG11 VAL 31 HG11 VAL 31 -16.235 3.847 -2.618 217 HG12 VAL 31 HG12 VAL 31 -15.621 3.503 -1.001 218 HG13 VAL 31 HG13 VAL 31 -17.274 4.081 -1.212 219 HG21 VAL 31 HG21 VAL 31 -17.581 6.614 -1.962 220 HG22 VAL 31 HG22 VAL 31 -16.105 7.486 -2.386 221 HG23 VAL 31 HG23 VAL 31 -16.626 6.103 -3.353 222 H THR 32 H THR 32 -15.875 3.928 1.390 223 HA THR 32 HA THR 32 -13.095 4.170 2.286 224 HB THR 32 HB THR 32 -15.284 2.318 3.271 225 HG1 THR 32 HG1 THR 32 -14.573 4.013 5.144 226 HG21 THR 32 HG21 THR 32 -13.043 1.409 3.621 227 HG22 THR 32 HG22 THR 32 -13.770 1.902 5.152 228 HG23 THR 32 HG23 THR 32 -12.543 2.916 4.390 229 H SER 33 H SER 33 -11.667 3.160 1.002 230 HA SER 33 HA SER 33 -12.533 0.701 -0.352 231 HB2 SER 33 HB2 SER 33 -10.513 1.317 -1.886 232 HB3 SER 33 HB3 SER 33 -12.033 2.196 -2.065 233 HG SER 33 HG SER 33 -10.868 3.904 -1.719 234 H GLU 34 H GLU 34 -11.254 -1.107 -0.328 235 HA GLU 34 HA GLU 34 -8.854 -1.036 1.370 236 HB2 GLU 34 HB2 GLU 34 -10.620 -3.452 1.349 237 HB3 GLU 34 HB3 GLU 34 -9.520 -2.890 2.599 238 HG2 GLU 34 HG2 GLU 34 -11.095 -1.081 3.133 239 HG3 GLU 34 HG3 GLU 34 -12.205 -1.717 1.922 240 H LEU 35 H LEU 35 -7.136 -2.061 0.545 241 HA LEU 35 HA LEU 35 -7.559 -3.955 -1.661 242 HB2 LEU 35 HB2 LEU 35 -6.864 -2.028 -2.822 243 HB3 LEU 35 HB3 LEU 35 -5.691 -1.603 -1.589 244 HG LEU 35 HG LEU 35 -4.251 -3.444 -2.273 245 HD11 LEU 35 HD11 LEU 35 -4.731 -4.829 -4.197 246 HD12 LEU 35 HD12 LEU 35 -5.998 -5.023 -2.987 247 HD13 LEU 35 HD13 LEU 35 -6.288 -4.030 -4.417 248 HD21 LEU 35 HD21 LEU 35 -5.156 -1.777 -4.612 249 HD22 LEU 35 HD22 LEU 35 -3.996 -1.287 -3.376 250 HD23 LEU 35 HD23 LEU 35 -3.610 -2.615 -4.471 251 H ASP 36 H ASP 36 -6.810 -5.825 -1.132 252 HA ASP 36 HA ASP 36 -5.082 -6.250 1.065 253 HB2 ASP 36 HB2 ASP 36 -6.121 -8.015 -1.143 254 HB3 ASP 36 HB3 ASP 36 -5.021 -8.609 0.083 255 H LEU 37 H LEU 37 -3.042 -5.659 1.018 256 HA LEU 37 HA LEU 37 -1.483 -5.186 -1.258 257 HB2 LEU 37 HB2 LEU 37 -0.585 -5.919 1.520 258 HB3 LEU 37 HB3 LEU 37 0.422 -5.199 0.272 259 HG LEU 37 HG LEU 37 -1.864 -3.963 1.738 260 HD11 LEU 37 HD11 LEU 37 0.319 -4.089 2.792 261 HD12 LEU 37 HD12 LEU 37 1.009 -3.215 1.427 262 HD13 LEU 37 HD13 LEU 37 -0.182 -2.427 2.467 263 HD21 LEU 37 HD21 LEU 37 -1.530 -1.979 0.342 264 HD22 LEU 37 HD22 LEU 37 -0.380 -2.879 -0.651 265 HD23 LEU 37 HD23 LEU 37 -2.077 -3.362 -0.606 266 H ASP 38 H ASP 38 -1.851 -7.917 0.856 267 HA ASP 38 HA ASP 38 0.193 -9.541 -0.200 268 HB2 ASP 38 HB2 ASP 38 -0.720 -11.320 1.047 269 HB3 ASP 38 HB3 ASP 38 -1.100 -9.881 1.986 270 H THR 39 H THR 39 -2.523 -8.409 -1.734 271 HA THR 39 HA THR 39 -2.729 -10.859 -3.363 272 HB THR 39 HB THR 39 -4.809 -9.644 -2.256 273 HG1 THR 39 HG1 THR 39 -4.939 -11.538 -3.525 274 HG21 THR 39 HG21 THR 39 -5.979 -8.233 -3.875 275 HG22 THR 39 HG22 THR 39 -4.573 -8.284 -4.936 276 HG23 THR 39 HG23 THR 39 -4.462 -7.496 -3.361 277 H ILE 40 H ILE 40 -1.388 -7.756 -3.400 278 HA ILE 40 HA ILE 40 -0.828 -8.054 -6.254 279 HB ILE 40 HB ILE 40 -1.176 -5.561 -6.572 280 HG12 ILE 40 HG13 ILE 40 -3.168 -4.818 -4.991 281 HG13 ILE 40 3HG1 ILE 40 -2.398 -5.938 -3.877 282 HG21 ILE 40 HG21 ILE 40 -2.633 -7.192 -7.586 283 HG22 ILE 40 HG22 ILE 40 -3.565 -7.328 -6.095 284 HG23 ILE 40 HG23 ILE 40 -3.583 -5.822 -7.012 285 HD11 ILE 40 HD11 ILE 40 -0.327 -4.676 -4.035 286 HD12 ILE 40 HD12 ILE 40 -1.091 -3.557 -5.165 287 HD13 ILE 40 HD13 ILE 40 -1.667 -3.663 -3.501 288 H ILE 41 H ILE 41 0.542 -7.970 -3.432 289 HA ILE 41 HA ILE 41 2.818 -6.333 -4.362 290 HB ILE 41 HB ILE 41 1.831 -6.588 -1.521 291 HG12 ILE 41 HG13 ILE 41 1.681 -4.461 -3.601 292 HG13 ILE 41 3HG1 ILE 41 0.509 -4.917 -2.373 293 HG21 ILE 41 HG21 ILE 41 4.277 -5.156 -2.545 294 HG22 ILE 41 HG22 ILE 41 3.662 -5.114 -0.888 295 HG23 ILE 41 HG23 ILE 41 4.261 -6.628 -1.571 296 HD11 ILE 41 HD11 ILE 41 3.044 -3.379 -1.897 297 HD12 ILE 41 HD12 ILE 41 1.414 -2.702 -1.959 298 HD13 ILE 41 HD13 ILE 41 1.857 -3.823 -0.670 299 H GLY 42 H GLY 42 4.728 -7.373 -4.398 300 HA2 GLY 42 HA3 GLY 42 4.887 -9.943 -2.947 301 HA3 GLY 42 HA2 GLY 42 5.405 -9.809 -4.618 302 H ASN 43 H ASN 43 7.033 -10.706 -2.535 303 HA ASN 43 HA ASN 43 8.958 -8.500 -2.256 304 HB2 ASN 43 HB2 ASN 43 8.404 -9.211 -0.072 305 HB3 ASN 43 HB3 ASN 43 8.411 -10.907 -0.526 306 HD21 ASN 43 HD21 ASN 43 9.803 -11.434 1.135 307 HD22 ASN 43 HD22 ASN 43 11.497 -11.041 1.081 308 H ASN 44 H ASN 44 10.469 -8.608 -3.743 309 HA ASN 44 HA ASN 44 11.328 -11.248 -4.699 310 HB2 ASN 44 HB2 ASN 44 10.508 -9.682 -6.432 311 HB3 ASN 44 HB3 ASN 44 11.764 -8.536 -5.971 312 HD21 ASN 44 HD21 ASN 44 13.873 -8.901 -6.598 313 HD22 ASN 44 HD22 ASN 44 14.308 -10.132 -7.738 314 H ASP 45 H ASP 45 12.690 -11.717 -2.997 315 HA ASP 45 HA ASP 45 14.597 -11.748 -1.761 316 HB2 ASP 45 HB2 ASP 45 15.413 -12.336 -4.015 317 HB3 ASP 45 HB3 ASP 45 15.749 -10.639 -4.329 318 H GLY 46 H GLY 46 13.326 -9.729 -0.722 319 HA2 GLY 46 HA3 GLY 46 13.779 -7.903 0.600 320 HA3 GLY 46 HA2 GLY 46 15.431 -7.933 0.003 321 H HIS 47 H HIS 47 12.445 -7.636 -1.882 322 HA HIS 47 HA HIS 47 12.762 -4.794 -2.245 323 HB2 HIS 47 HB2 HIS 47 14.448 -5.790 -3.835 324 HB3 HIS 47 HB3 HIS 47 13.111 -6.572 -4.673 325 HD1 HIS 47 HD1 HIS 47 11.968 -5.233 -6.456 326 HD2 HIS 47 HD2 HIS 47 14.303 -2.876 -3.940 327 HE1 HIS 47 HE1 HIS 47 11.952 -2.928 -7.467 328 HE2 HIS 47 HE2 HIS 47 13.312 -1.500 -5.897 329 H PHE 48 H PHE 48 10.775 -3.945 -2.488 330 HA PHE 48 HA PHE 48 8.494 -5.625 -2.651 331 HB2 PHE 48 HB2 PHE 48 8.828 -2.638 -2.785 332 HB3 PHE 48 HB3 PHE 48 7.255 -3.408 -2.971 333 HD1 PHE 48 HD1 PHE 48 6.664 -5.138 -1.066 334 HD2 PHE 48 HD2 PHE 48 9.473 -1.966 -0.695 335 HE1 PHE 48 HE1 PHE 48 6.397 -5.195 1.378 336 HE2 PHE 48 HE2 PHE 48 9.218 -2.024 1.753 337 HZ PHE 48 HZ PHE 48 7.678 -3.636 2.790 338 H GLN 49 H GLN 49 7.131 -6.088 -4.275 339 HA GLN 49 HA GLN 49 7.739 -4.998 -6.926 340 HB2 GLN 49 HB2 GLN 49 8.751 -7.096 -7.088 341 HB3 GLN 49 HB3 GLN 49 7.529 -7.871 -6.090 342 HG2 GLN 49 HG2 GLN 49 5.960 -7.894 -7.836 343 HG3 GLN 49 HG3 GLN 49 6.896 -6.761 -8.803 344 HE21 GLN 49 HE21 GLN 49 8.718 -7.505 -9.903 345 HE22 GLN 49 HE22 GLN 49 8.983 -9.184 -10.197 346 H TRP 50 H TRP 50 6.008 -3.966 -7.609 347 HA TRP 50 HA TRP 50 3.411 -4.431 -6.547 348 HB2 TRP 50 HB2 TRP 50 4.408 -2.821 -8.900 349 HB3 TRP 50 HB3 TRP 50 2.699 -2.930 -8.497 350 HD1 TRP 50 HD1 TRP 50 5.716 -0.917 -7.749 351 HE1 TRP 50 HE1 TRP 50 5.260 0.697 -5.779 352 HE3 TRP 50 HE3 TRP 50 1.339 -2.940 -6.065 353 HZ2 TRP 50 HZ2 TRP 50 3.303 1.039 -3.787 354 HZ3 TRP 50 HZ3 TRP 50 0.235 -1.913 -4.122 355 HH2 TRP 50 HH2 TRP 50 1.195 0.037 -3.006 356 H GLY 51 H GLY 51 2.217 -6.123 -6.980 357 HA2 GLY 51 HA3 GLY 51 0.850 -7.368 -8.505 358 HA3 GLY 51 HA2 GLY 51 2.071 -7.126 -9.746 359 H GLY 52 H GLY 52 2.937 -8.096 -6.504 360 HA2 GLY 52 HA3 GLY 52 3.920 -10.625 -7.619 361 HA3 GLY 52 HA2 GLY 52 4.464 -9.883 -6.127 362 H GLN 53 H GLN 53 2.198 -9.494 -4.715 363 HA GLN 53 HA GLN 53 0.584 -10.435 -3.437 364 HB2 GLN 53 HB2 GLN 53 -0.747 -11.215 -5.130 365 HB3 GLN 53 HB3 GLN 53 0.503 -12.256 -5.790 366 HG2 GLN 53 HG2 GLN 53 0.188 -13.752 -3.815 367 HG3 GLN 53 HG3 GLN 53 -1.181 -12.746 -3.349 368 HE21 GLN 53 HE21 GLN 53 0.057 -15.017 -5.663 369 HE22 GLN 53 HE22 GLN 53 -1.468 -15.418 -6.381 370 H ASN 54 H ASN 54 0.492 -11.725 -1.676 371 HA ASN 54 HA ASN 54 1.185 -13.030 0.016 372 HB2 ASN 54 HB2 ASN 54 2.334 -14.627 -2.264 373 HB3 ASN 54 HB3 ASN 54 2.506 -15.133 -0.587 374 HD21 ASN 54 HD21 ASN 54 1.136 -16.503 -2.698 375 HD22 ASN 54 HD22 ASN 54 -0.523 -16.651 -2.215 376 H PHE 55 H PHE 55 2.652 -10.736 -0.525 377 HA PHE 55 HA PHE 55 5.456 -11.340 -0.324 378 HB2 PHE 55 HB2 PHE 55 5.834 -9.037 -0.409 379 HB3 PHE 55 HB3 PHE 55 4.342 -9.200 -1.316 380 HD1 PHE 55 HD1 PHE 55 2.155 -8.689 -0.132 381 HD2 PHE 55 HD2 PHE 55 5.964 -7.642 1.450 382 HE1 PHE 55 HE1 PHE 55 1.093 -7.000 1.306 383 HE2 PHE 55 HE2 PHE 55 4.905 -5.960 2.896 384 HZ PHE 55 HZ PHE 55 2.467 -5.636 2.825 385 H THR 56 H THR 56 2.803 -10.736 1.811 386 HA THR 56 HA THR 56 4.184 -10.060 4.153 387 HB THR 56 HB THR 56 2.123 -10.768 5.330 388 HG1 THR 56 HG1 THR 56 1.338 -12.485 4.237 389 HG21 THR 56 HG21 THR 56 2.178 -8.543 4.410 390 HG22 THR 56 HG22 THR 56 0.576 -9.224 4.129 391 HG23 THR 56 HG23 THR 56 1.743 -9.150 2.812 392 H GLU 57 H GLU 57 3.764 -13.106 2.550 393 HA GLU 57 HA GLU 57 4.179 -14.732 4.856 394 HB2 GLU 57 HB2 GLU 57 4.182 -16.571 3.405 395 HB3 GLU 57 HB3 GLU 57 3.115 -15.413 2.622 396 HG2 GLU 57 HG2 GLU 57 4.843 -14.804 1.076 397 HG3 GLU 57 HG3 GLU 57 5.995 -15.841 1.917 398 H THR 58 H THR 58 6.175 -12.792 2.969 399 HA THR 58 HA THR 58 8.581 -14.076 4.084 400 HB THR 58 HB THR 58 9.829 -13.358 2.097 401 HG1 THR 58 HG1 THR 58 7.383 -12.131 1.520 402 HG21 THR 58 HG21 THR 58 8.794 -15.599 2.094 403 HG22 THR 58 HG22 THR 58 8.890 -14.914 0.471 404 HG23 THR 58 HG23 THR 58 7.354 -14.916 1.338 405 H ALA 59 H ALA 59 6.619 -11.611 4.464 406 HA ALA 59 HA ALA 59 8.766 -9.691 5.031 407 HB1 ALA 59 HB1 ALA 59 7.263 -7.867 4.533 408 HB2 ALA 59 HB2 ALA 59 7.404 -8.936 3.136 409 HB3 ALA 59 HB3 ALA 59 5.968 -9.004 4.157 410 H GLU 60 H GLU 60 8.647 -8.541 6.879 411 HA GLU 60 HA GLU 60 6.495 -9.111 8.783 412 HB2 GLU 60 HB2 GLU 60 8.924 -9.057 10.242 413 HB3 GLU 60 HB3 GLU 60 7.811 -10.405 10.051 414 HG2 GLU 60 HG2 GLU 60 8.986 -11.032 7.971 415 HG3 GLU 60 HG3 GLU 60 10.146 -9.739 8.265 416 H ASP 61 H ASP 61 6.878 -7.621 10.798 417 HA ASP 61 HA ASP 61 6.761 -5.433 11.515 418 HB2 ASP 61 HB2 ASP 61 9.316 -6.021 11.353 419 HB3 ASP 61 HB3 ASP 61 9.300 -4.902 10.013 420 H ILE 62 H ILE 62 5.135 -5.680 9.421 421 HA ILE 62 HA ILE 62 5.830 -3.810 7.333 422 HB ILE 62 HB ILE 62 3.102 -5.020 7.749 423 HG12 ILE 62 HG13 ILE 62 5.626 -6.299 6.684 424 HG13 ILE 62 3HG1 ILE 62 4.566 -6.896 7.949 425 HG21 ILE 62 HG21 ILE 62 3.279 -3.350 6.016 426 HG22 ILE 62 HG22 ILE 62 4.669 -4.177 5.313 427 HG23 ILE 62 HG23 ILE 62 3.078 -4.939 5.279 428 HD11 ILE 62 HD11 ILE 62 2.838 -7.352 6.303 429 HD12 ILE 62 HD12 ILE 62 3.885 -6.726 5.027 430 HD13 ILE 62 HD13 ILE 62 4.345 -8.183 5.908 431 H ARG 63 H ARG 63 5.861 -1.754 7.911 432 HA ARG 63 HA ARG 63 3.650 -0.651 9.483 433 HB2 ARG 63 HB2 ARG 63 6.543 0.043 9.212 434 HB3 ARG 63 HB3 ARG 63 5.397 1.302 9.637 435 HG2 ARG 63 HG2 ARG 63 6.192 0.573 11.657 436 HG3 ARG 63 HG3 ARG 63 4.654 -0.256 11.486 437 HD2 ARG 63 HD2 ARG 63 7.041 -1.696 10.519 438 HD3 ARG 63 HD3 ARG 63 6.909 -1.476 12.261 439 HE ARG 63 HE ARG 63 5.062 -2.980 10.552 440 HH11 ARG 63 HH12 ARG 63 6.133 -2.045 13.744 441 HH12 ARG 63 HH11 ARG 63 5.182 -3.244 14.557 442 HH21 ARG 63 HH22 ARG 63 3.824 -4.585 11.609 443 HH22 ARG 63 HH21 ARG 63 3.879 -4.703 13.349 444 H PHE 64 H PHE 64 2.216 0.486 8.364 445 HA PHE 64 HA PHE 64 2.953 1.546 5.747 446 HB2 PHE 64 HB2 PHE 64 0.909 0.319 5.745 447 HB3 PHE 64 HB3 PHE 64 0.313 1.183 7.154 448 HD1 PHE 64 HD2 PHE 64 1.925 2.684 4.165 449 HD2 PHE 64 HD1 PHE 64 -1.680 2.049 6.333 450 HE1 PHE 64 HE2 PHE 64 0.775 4.321 2.731 451 HE2 PHE 64 HE1 PHE 64 -2.829 3.667 4.896 452 HZ PHE 64 HZ PHE 64 -1.606 4.803 3.089 453 H HIS 65 H HIS 65 3.453 3.587 5.439 454 HA HIS 65 HA HIS 65 2.565 5.548 7.462 455 HB2 HIS 65 HB2 HIS 65 5.124 4.990 7.203 456 HB3 HIS 65 HB3 HIS 65 5.006 6.021 5.779 457 HD1 HIS 65 HD1 HIS 65 6.715 7.582 7.219 458 HD2 HIS 65 HD2 HIS 65 2.812 7.281 8.629 459 HE1 HIS 65 HE1 HIS 65 6.429 9.476 8.846 460 HE2 HIS 65 HE2 HIS 65 4.123 9.163 9.815 461 HA PRO 66 HA PRO 66 0.265 6.558 3.613 462 HB2 PRO 66 HB2 PRO 66 -1.429 8.216 5.029 463 HB3 PRO 66 HB3 PRO 66 -1.703 6.514 4.700 464 HG2 PRO 66 HG2 PRO 66 -0.643 7.810 7.154 465 HG3 PRO 66 HG3 PRO 66 -1.744 6.430 6.996 466 HD2 PRO 66 HD2 PRO 66 0.846 6.094 7.607 467 HD3 PRO 66 HD3 PRO 66 -0.011 4.939 6.560 468 H LYS 67 H LYS 67 1.341 8.645 6.116 469 HA LYS 67 HA LYS 67 1.907 10.703 4.102 470 HB2 LYS 67 HB2 LYS 67 0.801 11.132 6.876 471 HB3 LYS 67 HB3 LYS 67 1.374 12.420 5.825 472 HG2 LYS 67 HG2 LYS 67 -0.672 12.556 5.002 473 HG3 LYS 67 HG3 LYS 67 -0.421 10.965 4.278 474 HD2 LYS 67 HD2 LYS 67 -1.528 9.863 5.977 475 HD3 LYS 67 HD3 LYS 67 -1.319 11.202 7.118 476 HE2 LYS 67 HE2 LYS 67 -3.100 11.192 4.681 477 HE3 LYS 67 HE3 LYS 67 -3.632 11.075 6.358 478 HZ1 LYS 67 HZ1 LYS 67 -2.848 13.279 6.783 479 HZ2 LYS 67 HZ2 LYS 67 -3.830 13.336 5.400 480 HZ3 LYS 67 HZ3 LYS 67 -2.139 13.401 5.244 481 H GLU 68 H GLU 68 4.039 10.003 3.991 482 HA GLU 68 HA GLU 68 5.735 9.899 6.256 483 HB2 GLU 68 HB2 GLU 68 6.445 8.678 4.355 484 HB3 GLU 68 HB3 GLU 68 6.276 10.077 3.301 485 HG2 GLU 68 HG2 GLU 68 8.205 11.097 4.148 486 HG3 GLU 68 HG3 GLU 68 8.251 10.026 5.556 487 H GLY 69 H GLY 69 6.266 11.534 7.471 488 HA2 GLY 69 HA3 GLY 69 6.818 13.623 8.201 489 HA3 GLY 69 HA2 GLY 69 7.685 13.771 6.680 490 H ALA 70 H ALA 70 7.192 15.971 6.572 491 HA ALA 70 HA ALA 70 4.444 16.846 6.461 492 HB1 ALA 70 HB1 ALA 70 6.993 18.306 5.752 493 HB2 ALA 70 HB2 ALA 70 5.397 19.039 5.913 494 HB3 ALA 70 HB3 ALA 70 6.190 18.330 7.321 495 H ALA 71 H ALA 71 6.420 15.191 4.416 496 HA ALA 71 HA ALA 71 5.785 16.425 1.926 497 HB1 ALA 71 HB1 ALA 71 7.801 15.082 2.203 498 HB2 ALA 71 HB2 ALA 71 6.819 13.649 2.519 499 HB3 ALA 71 HB3 ALA 71 6.776 14.420 0.930 500 H GLU 72 H GLU 72 4.229 14.197 4.023 501 HA GLU 72 HA GLU 72 2.283 13.036 3.951 502 HB2 GLU 72 HB2 GLU 72 1.705 15.064 1.790 503 HB3 GLU 72 HB3 GLU 72 0.504 13.940 2.407 504 HG2 GLU 72 HG2 GLU 72 1.986 15.806 4.219 505 HG3 GLU 72 HG3 GLU 72 0.539 16.309 3.349 506 H GLN 73 H GLN 73 4.375 11.816 2.670 507 HA GLN 73 HA GLN 73 3.247 10.831 0.146 508 HB2 GLN 73 HB2 GLN 73 6.048 10.597 1.253 509 HB3 GLN 73 HB3 GLN 73 5.510 9.885 -0.263 510 HG2 GLN 73 HG2 GLN 73 4.928 12.175 -1.048 511 HG3 GLN 73 HG3 GLN 73 5.664 12.807 0.423 512 HE21 GLN 73 HE21 GLN 73 7.904 12.682 0.676 513 HE22 GLN 73 HE22 GLN 73 8.957 12.416 -0.669 514 HA PRO 74 HA PRO 74 2.186 7.161 2.433 515 HB2 PRO 74 HB2 PRO 74 0.928 5.892 0.413 516 HB3 PRO 74 HB3 PRO 74 0.179 7.216 1.312 517 HG2 PRO 74 HG2 PRO 74 1.511 7.264 -1.368 518 HG3 PRO 74 HG3 PRO 74 0.032 8.086 -0.836 519 HD2 PRO 74 HD2 PRO 74 2.455 9.329 -1.016 520 HD3 PRO 74 HD3 PRO 74 1.189 9.817 0.129 521 H ILE 75 H ILE 75 3.959 6.000 2.831 522 HA ILE 75 HA ILE 75 4.954 4.312 0.652 523 HB ILE 75 HB ILE 75 7.212 4.639 1.107 524 HG12 ILE 75 HG13 ILE 75 7.698 6.303 3.200 525 HG13 ILE 75 3HG1 ILE 75 6.301 5.415 3.804 526 HG21 ILE 75 HG21 ILE 75 7.601 7.085 1.106 527 HG22 ILE 75 HG22 ILE 75 6.360 6.562 -0.033 528 HG23 ILE 75 HG23 ILE 75 5.895 7.317 1.491 529 HD11 ILE 75 HD11 ILE 75 8.905 4.249 2.851 530 HD12 ILE 75 HD12 ILE 75 8.314 4.315 4.511 531 HD13 ILE 75 HD13 ILE 75 7.495 3.301 3.319 532 H LEU 76 H LEU 76 5.442 2.250 1.221 533 HA LEU 76 HA LEU 76 4.705 1.495 3.970 534 HB2 LEU 76 HB2 LEU 76 3.160 0.754 2.204 535 HB3 LEU 76 HB3 LEU 76 4.476 -0.056 1.386 536 HG LEU 76 HG LEU 76 2.757 -1.375 2.860 537 HD11 LEU 76 HD11 LEU 76 4.424 -3.101 3.221 538 HD12 LEU 76 HD12 LEU 76 4.674 -2.337 1.652 539 HD13 LEU 76 HD13 LEU 76 5.719 -1.923 3.010 540 HD21 LEU 76 HD21 LEU 76 3.133 -0.044 4.874 541 HD22 LEU 76 HD22 LEU 76 3.511 -1.747 5.118 542 HD23 LEU 76 HD23 LEU 76 4.815 -0.580 4.900 543 H ARG 77 H ARG 77 6.302 0.670 5.198 544 HA ARG 77 HA ARG 77 8.574 -0.551 3.796 545 HB2 ARG 77 HB2 ARG 77 10.133 0.415 5.204 546 HB3 ARG 77 HB3 ARG 77 8.969 1.713 5.011 547 HG2 ARG 77 HG2 ARG 77 8.896 -0.159 7.357 548 HG3 ARG 77 HG3 ARG 77 9.890 1.288 7.332 549 HD2 ARG 77 HD2 ARG 77 6.897 1.113 7.165 550 HD3 ARG 77 HD3 ARG 77 7.866 1.825 8.450 551 HE ARG 77 HE ARG 77 7.363 2.989 5.813 552 HH11 ARG 77 HH12 ARG 77 8.810 3.245 8.993 553 HH12 ARG 77 HH11 ARG 77 9.133 4.947 8.852 554 HH21 ARG 77 HH22 ARG 77 7.770 5.239 5.639 555 HH22 ARG 77 HH21 ARG 77 8.525 6.083 6.954 556 H ALA 78 H ALA 78 9.302 -2.456 4.505 557 HA ALA 78 HA ALA 78 8.427 -3.614 7.006 558 HB1 ALA 78 HB1 ALA 78 7.341 -5.552 5.996 559 HB2 ALA 78 HB2 ALA 78 6.502 -4.063 5.560 560 HB3 ALA 78 HB3 ALA 78 7.564 -4.852 4.393 561 H ARG 79 H ARG 79 9.359 -5.864 7.249 562 HA ARG 79 HA ARG 79 12.081 -5.851 6.224 563 HB2 ARG 79 HB2 ARG 79 10.942 -8.055 7.929 564 HB3 ARG 79 HB3 ARG 79 12.593 -7.474 7.850 565 HG2 ARG 79 HG2 ARG 79 10.251 -6.248 9.265 566 HG3 ARG 79 HG3 ARG 79 11.776 -6.819 9.945 567 HD2 ARG 79 HD2 ARG 79 12.949 -5.014 8.726 568 HD3 ARG 79 HD3 ARG 79 11.381 -4.445 8.154 569 HE ARG 79 HE ARG 79 10.818 -4.056 10.533 570 HH11 ARG 79 HH12 ARG 79 14.184 -4.140 9.552 571 HH12 ARG 79 HH11 ARG 79 14.701 -3.067 10.807 572 HH21 ARG 79 HH22 ARG 79 11.483 -2.669 12.166 573 HH22 ARG 79 HH21 ARG 79 13.159 -2.239 12.318 574 H LEU 80 H LEU 80 12.466 -6.761 4.323 575 HA LEU 80 HA LEU 80 10.673 -8.857 3.356 576 HB2 LEU 80 HB2 LEU 80 12.424 -6.825 2.078 577 HB3 LEU 80 HB3 LEU 80 12.192 -8.339 1.229 578 HG LEU 80 HG LEU 80 9.928 -7.964 0.903 579 HD11 LEU 80 HD11 LEU 80 10.023 -5.850 3.012 580 HD12 LEU 80 HD12 LEU 80 8.615 -6.262 2.033 581 HD13 LEU 80 HD13 LEU 80 9.291 -7.451 3.145 582 HD21 LEU 80 HD21 LEU 80 11.276 -5.293 0.762 583 HD22 LEU 80 HD22 LEU 80 11.194 -6.516 -0.508 584 HD23 LEU 80 HD23 LEU 80 9.728 -5.680 0.007 585 H ARG 81 H ARG 81 11.275 -10.873 3.191 586 HA ARG 81 HA ARG 81 13.839 -11.695 4.135 587 HB2 ARG 81 HB2 ARG 81 11.948 -13.050 4.693 588 HB3 ARG 81 HB3 ARG 81 11.497 -13.223 3.005 589 HG2 ARG 81 HG2 ARG 81 14.185 -14.198 3.654 590 HG3 ARG 81 HG3 ARG 81 12.874 -15.077 4.436 591 HD2 ARG 81 HD2 ARG 81 11.801 -15.113 2.089 592 HD3 ARG 81 HD3 ARG 81 13.416 -14.681 1.524 593 HE ARG 81 HE ARG 81 14.227 -16.771 2.301 594 HH11 ARG 81 HH12 ARG 81 10.744 -16.433 2.517 595 HH12 ARG 81 HH11 ARG 81 10.452 -18.136 2.587 596 HH21 ARG 81 HH22 ARG 81 13.855 -19.001 2.385 597 HH22 ARG 81 HH21 ARG 81 12.229 -19.615 2.505 598 H ASP 82 H ASP 82 15.547 -12.419 3.093 599 HA ASP 82 HA ASP 82 15.624 -12.059 0.183 600 HB2 ASP 82 HB2 ASP 82 17.881 -12.478 2.160 601 HB3 ASP 82 HB3 ASP 82 18.085 -12.210 0.437 602 H CYS 83 H CYS 83 17.076 -13.692 -0.985 603 HA CYS 83 HA CYS 83 15.954 -16.258 -0.742 604 HB2 CYS 83 HB2 CYS 83 18.504 -15.467 -2.155 605 HB3 CYS 83 HB3 CYS 83 17.582 -16.941 -2.432 606 HG CYS 83 HG CYS 83 16.623 -13.745 -3.166 607 H ASN 84 H ASN 84 18.474 -14.792 0.976 608 HA ASN 84 HA ASN 84 19.957 -17.136 1.667 609 HB2 ASN 84 HB2 ASN 84 20.920 -14.855 1.779 610 HB3 ASN 84 HB3 ASN 84 19.794 -14.452 3.068 611 HD21 ASN 84 HD21 ASN 84 21.417 -13.989 4.524 612 HD22 ASN 84 HD22 ASN 84 22.416 -15.226 5.227 613 H GLY 85 H GLY 85 17.119 -15.544 2.799 614 HA2 GLY 85 HA3 GLY 85 15.431 -16.597 4.068 615 HA3 GLY 85 HA2 GLY 85 16.637 -17.684 4.741 616 H GLU 86 H GLU 86 16.593 -14.181 4.490 617 HA GLU 86 HA GLU 86 16.510 -13.954 7.413 618 HB2 GLU 86 HB2 GLU 86 18.297 -12.338 7.373 619 HB3 GLU 86 HB3 GLU 86 18.840 -13.793 6.555 620 HG2 GLU 86 HG2 GLU 86 18.388 -12.737 4.395 621 HG3 GLU 86 HG3 GLU 86 17.911 -11.262 5.236 622 H PHE 87 H PHE 87 16.625 -11.149 7.512 623 HA PHE 87 HA PHE 87 14.465 -10.299 5.717 624 HB2 PHE 87 HB2 PHE 87 13.230 -9.263 7.558 625 HB3 PHE 87 HB3 PHE 87 13.373 -10.998 7.798 626 HD1 PHE 87 HD2 PHE 87 14.854 -11.886 9.544 627 HD2 PHE 87 HD1 PHE 87 14.221 -7.705 9.075 628 HE1 PHE 87 HE2 PHE 87 15.756 -11.501 11.798 629 HE2 PHE 87 HE1 PHE 87 15.123 -7.312 11.331 630 HZ PHE 87 HZ PHE 87 15.892 -9.213 12.694 631 H HIS 88 H HIS 88 14.463 -8.323 5.066 632 HA HIS 88 HA HIS 88 16.363 -6.403 6.191 633 HB2 HIS 88 HB2 HIS 88 16.395 -7.621 3.497 634 HB3 HIS 88 HB3 HIS 88 16.657 -5.892 3.570 635 HD1 HIS 88 HD1 HIS 88 18.469 -8.921 3.573 636 HD2 HIS 88 HD2 HIS 88 18.803 -5.336 5.663 637 HE1 HIS 88 HE1 HIS 88 20.832 -8.854 4.451 638 HE2 HIS 88 HE2 HIS 88 20.961 -6.755 5.845 639 H ASP 89 H ASP 89 15.320 -4.579 6.605 640 HA ASP 89 HA ASP 89 12.646 -4.174 5.764 641 HB2 ASP 89 HB2 ASP 89 12.756 -2.033 6.927 642 HB3 ASP 89 HB3 ASP 89 13.438 -3.322 7.907 643 H ARG 90 H ARG 90 11.957 -3.583 3.872 644 HA ARG 90 HA ARG 90 13.529 -1.592 2.356 645 HB2 ARG 90 HB2 ARG 90 11.575 -3.642 1.285 646 HB3 ARG 90 HB3 ARG 90 12.525 -2.515 0.328 647 HG2 ARG 90 HG2 ARG 90 13.575 -4.792 1.989 648 HG3 ARG 90 HG3 ARG 90 13.515 -4.702 0.227 649 HD2 ARG 90 HD2 ARG 90 15.032 -2.749 0.320 650 HD3 ARG 90 HD3 ARG 90 15.144 -2.956 2.068 651 HE ARG 90 HE ARG 90 15.920 -5.160 0.289 652 HH11 ARG 90 HH12 ARG 90 16.721 -2.802 2.740 653 HH12 ARG 90 HH11 ARG 90 18.332 -3.408 2.994 654 HH21 ARG 90 HH22 ARG 90 18.018 -5.997 0.620 655 HH22 ARG 90 HH21 ARG 90 19.078 -5.228 1.773 656 H ASP 91 H ASP 91 11.944 -0.355 0.792 657 HA ASP 91 HA ASP 91 9.370 0.126 2.067 658 HB2 ASP 91 HB2 ASP 91 9.716 2.589 2.021 659 HB3 ASP 91 HB3 ASP 91 10.771 1.769 3.163 660 H VAL 92 H VAL 92 7.833 1.013 0.695 661 HA VAL 92 HA VAL 92 8.645 1.274 -2.116 662 HB VAL 92 HB VAL 92 7.758 -1.008 -1.665 663 HG11 VAL 92 HG11 VAL 92 5.363 -1.321 -1.313 664 HG12 VAL 92 HG12 VAL 92 6.107 -0.460 0.037 665 HG13 VAL 92 HG13 VAL 92 5.158 0.424 -1.160 666 HG21 VAL 92 HG21 VAL 92 6.255 -1.058 -3.595 667 HG22 VAL 92 HG22 VAL 92 6.177 0.703 -3.554 668 HG23 VAL 92 HG23 VAL 92 7.712 -0.105 -3.880 669 H ASN 93 H ASN 93 7.277 2.504 -3.409 670 HA ASN 93 HA ASN 93 5.976 4.665 -1.989 671 HB2 ASN 93 HB2 ASN 93 6.672 4.165 -4.876 672 HB3 ASN 93 HB3 ASN 93 5.653 5.513 -4.402 673 HD21 ASN 93 HD21 ASN 93 8.845 4.165 -4.331 674 HD22 ASN 93 HD22 ASN 93 9.655 5.603 -3.796 675 H LEU 94 H LEU 94 3.905 4.452 -1.384 676 HA LEU 94 HA LEU 94 2.169 2.631 -2.808 677 HB2 LEU 94 HB2 LEU 94 1.641 4.416 -0.437 678 HB3 LEU 94 HB3 LEU 94 0.464 3.312 -1.121 679 HG LEU 94 HG LEU 94 2.869 2.742 0.537 680 HD11 LEU 94 HD11 LEU 94 0.672 2.760 1.546 681 HD12 LEU 94 HD12 LEU 94 0.102 1.574 0.371 682 HD13 LEU 94 HD13 LEU 94 1.335 1.127 1.548 683 HD21 LEU 94 HD21 LEU 94 2.904 0.410 -0.178 684 HD22 LEU 94 HD22 LEU 94 1.718 0.770 -1.434 685 HD23 LEU 94 HD23 LEU 94 3.328 1.486 -1.509 686 H ASN 95 H ASN 95 3.168 5.609 -3.505 687 HA ASN 95 HA ASN 95 0.815 7.031 -4.135 688 HB2 ASN 95 HB2 ASN 95 3.418 7.215 -5.668 689 HB3 ASN 95 HB3 ASN 95 2.178 8.454 -5.518 690 HD21 ASN 95 HD21 ASN 95 4.966 7.059 -4.172 691 HD22 ASN 95 HD22 ASN 95 5.101 8.079 -2.796 692 H ARG 96 H ARG 96 2.258 4.277 -5.489 693 HA ARG 96 HA ARG 96 1.461 4.492 -8.180 694 HB2 ARG 96 HB2 ARG 96 2.153 2.203 -6.376 695 HB3 ARG 96 HB3 ARG 96 1.490 1.884 -7.968 696 HG2 ARG 96 HG2 ARG 96 3.929 1.769 -7.935 697 HG3 ARG 96 HG3 ARG 96 3.337 3.029 -9.015 698 HD2 ARG 96 HD2 ARG 96 4.049 3.738 -6.206 699 HD3 ARG 96 HD3 ARG 96 5.336 3.478 -7.382 700 HE ARG 96 HE ARG 96 3.185 5.372 -7.993 701 HH11 ARG 96 HH12 ARG 96 6.561 4.729 -7.342 702 HH12 ARG 96 HH11 ARG 96 7.090 6.325 -7.784 703 HH21 ARG 96 HH22 ARG 96 3.853 7.468 -8.568 704 HH22 ARG 96 HH21 ARG 96 5.542 7.892 -8.483 705 H ILE 97 H ILE 97 -0.238 3.821 -5.274 706 HA ILE 97 HA ILE 97 -2.486 2.525 -6.534 707 HB ILE 97 HB ILE 97 -2.221 3.607 -3.728 708 HG12 ILE 97 HG13 ILE 97 -1.983 0.709 -4.412 709 HG13 ILE 97 3HG1 ILE 97 -0.594 1.751 -4.705 710 HG21 ILE 97 HG21 ILE 97 -4.041 2.092 -3.191 711 HG22 ILE 97 HG22 ILE 97 -4.534 3.218 -4.454 712 HG23 ILE 97 HG23 ILE 97 -4.116 1.555 -4.869 713 HD11 ILE 97 HD11 ILE 97 -0.483 0.648 -2.533 714 HD12 ILE 97 HD12 ILE 97 -0.557 2.405 -2.388 715 HD13 ILE 97 HD13 ILE 97 -1.994 1.434 -2.066 716 H GLN 98 H GLN 98 -4.165 3.498 -7.391 717 HA GLN 98 HA GLN 98 -4.695 6.318 -6.719 718 HB2 GLN 98 HB2 GLN 98 -3.829 6.030 -9.033 719 HB3 GLN 98 HB3 GLN 98 -5.155 4.930 -9.369 720 HG2 GLN 98 HG2 GLN 98 -6.748 6.766 -8.948 721 HG3 GLN 98 HG3 GLN 98 -5.383 7.858 -8.716 722 HE21 GLN 98 HE21 GLN 98 -7.558 7.866 -10.705 723 HE22 GLN 98 HE22 GLN 98 -6.777 7.849 -12.253 724 H ASN 99 H ASN 99 -7.005 6.902 -7.059 725 HA ASN 99 HA ASN 99 -8.716 4.677 -6.195 726 HB2 ASN 99 HB2 ASN 99 -8.633 6.395 -4.524 727 HB3 ASN 99 HB3 ASN 99 -8.913 7.655 -5.721 728 HD21 ASN 99 HD21 ASN 99 -10.961 7.990 -6.513 729 HD22 ASN 99 HD22 ASN 99 -12.360 7.340 -5.746 730 H VAL 100 H VAL 100 -10.091 3.935 -7.655 731 HA VAL 100 HA VAL 100 -10.889 5.731 -9.846 732 HB VAL 100 HB VAL 100 -10.962 2.708 -9.828 733 HG11 VAL 100 HG11 VAL 100 -11.344 2.934 -12.239 734 HG12 VAL 100 HG12 VAL 100 -12.629 3.691 -11.300 735 HG13 VAL 100 HG13 VAL 100 -11.390 4.688 -12.063 736 HG21 VAL 100 HG21 VAL 100 -8.993 4.570 -11.149 737 HG22 VAL 100 HG22 VAL 100 -8.667 3.514 -9.774 738 HG23 VAL 100 HG23 VAL 100 -9.050 2.818 -11.349 739 H ASN 101 H ASN 101 -12.646 6.696 -8.956 740 HA ASN 101 HA ASN 101 -14.807 6.997 -8.359 741 HB2 ASN 101 HB2 ASN 101 -15.080 5.587 -10.464 742 HB3 ASN 101 HB3 ASN 101 -15.357 4.223 -9.387 743 HD21 ASN 101 HD21 ASN 101 -17.440 3.970 -10.223 744 HD22 ASN 101 HD22 ASN 101 -18.735 5.030 -9.781 745 H GLY 102 H GLY 102 -12.908 5.471 -6.512 746 HA2 GLY 102 HA3 GLY 102 -13.628 5.341 -4.163 747 HA3 GLY 102 HA2 GLY 102 -15.052 4.493 -4.736 748 H ARG 103 H ARG 103 -12.113 3.601 -6.254 749 HA ARG 103 HA ARG 103 -11.832 1.316 -4.427 750 HB2 ARG 103 HB2 ARG 103 -11.603 -0.212 -6.243 751 HB3 ARG 103 HB3 ARG 103 -13.065 0.721 -6.525 752 HG2 ARG 103 HG2 ARG 103 -11.907 2.104 -8.146 753 HG3 ARG 103 HG3 ARG 103 -10.406 1.228 -7.838 754 HD2 ARG 103 HD2 ARG 103 -11.481 0.428 -9.868 755 HD3 ARG 103 HD3 ARG 103 -11.440 -0.833 -8.637 756 HE ARG 103 HE ARG 103 -13.883 0.674 -8.615 757 HH11 ARG 103 HH12 ARG 103 -12.177 -2.015 -10.088 758 HH12 ARG 103 HH11 ARG 103 -13.633 -2.802 -10.623 759 HH21 ARG 103 HH22 ARG 103 -15.793 -0.366 -9.312 760 HH22 ARG 103 HH21 ARG 103 -15.691 -1.864 -10.199 761 H LEU 104 H LEU 104 -9.749 0.525 -4.143 762 HA LEU 104 HA LEU 104 -7.628 2.370 -4.876 763 HB2 LEU 104 HB2 LEU 104 -7.666 -0.042 -3.050 764 HB3 LEU 104 HB3 LEU 104 -6.247 0.947 -3.345 765 HG LEU 104 HG LEU 104 -8.809 1.828 -2.018 766 HD11 LEU 104 HD11 LEU 104 -7.401 2.101 -0.043 767 HD12 LEU 104 HD12 LEU 104 -7.396 0.430 -0.613 768 HD13 LEU 104 HD13 LEU 104 -6.016 1.478 -0.941 769 HD21 LEU 104 HD21 LEU 104 -7.688 3.963 -1.652 770 HD22 LEU 104 HD22 LEU 104 -6.307 3.408 -2.598 771 HD23 LEU 104 HD23 LEU 104 -7.875 3.628 -3.373 772 H VAL 105 H VAL 105 -6.434 2.066 -6.623 773 HA VAL 105 HA VAL 105 -6.109 -0.680 -7.651 774 HB VAL 105 HB VAL 105 -6.282 1.857 -9.292 775 HG11 VAL 105 HG11 VAL 105 -6.235 0.370 -11.230 776 HG12 VAL 105 HG12 VAL 105 -4.766 0.215 -10.267 777 HG13 VAL 105 HG13 VAL 105 -6.022 -1.018 -10.164 778 HG21 VAL 105 HG21 VAL 105 -8.458 1.230 -8.425 779 HG22 VAL 105 HG22 VAL 105 -8.377 0.907 -10.157 780 HG23 VAL 105 HG23 VAL 105 -8.236 -0.421 -9.005 781 H PHE 106 H PHE 106 -4.095 -1.358 -7.691 782 HA PHE 106 HA PHE 106 -1.920 0.446 -7.119 783 HB2 PHE 106 HB2 PHE 106 -0.596 -1.482 -6.798 784 HB3 PHE 106 HB3 PHE 106 -2.197 -1.941 -6.227 785 HD1 PHE 106 HD2 PHE 106 -3.728 -3.010 -8.168 786 HD2 PHE 106 HD1 PHE 106 0.528 -2.992 -8.095 787 HE1 PHE 106 HE2 PHE 106 -3.697 -4.939 -9.694 788 HE2 PHE 106 HE1 PHE 106 0.565 -4.922 -9.619 789 HZ PHE 106 HZ PHE 106 -1.548 -5.898 -10.420 790 H GLN 107 H GLN 107 -0.199 0.961 -8.451 791 HA GLN 107 HA GLN 107 0.957 1.410 -10.341 792 HB2 GLN 107 HB2 GLN 107 -0.438 -1.068 -11.346 793 HB3 GLN 107 HB3 GLN 107 0.738 -0.174 -12.297 794 HG2 GLN 107 HG2 GLN 107 2.422 -0.576 -10.553 795 HG3 GLN 107 HG3 GLN 107 1.237 -1.518 -9.651 796 HE21 GLN 107 HE21 GLN 107 0.079 -2.673 -12.062 797 HE22 GLN 107 HE22 GLN 107 1.205 -3.863 -12.612 Start of MODEL 29 1 H MET 1 H MET 1 -2.505 12.987 -9.172 2 HA MET 1 HA MET 1 -0.394 12.782 -8.107 3 HB2 MET 1 HB2 MET 1 -0.778 14.270 -6.218 4 HB3 MET 1 HB3 MET 1 -1.980 13.171 -5.558 5 HG2 MET 1 HG2 MET 1 0.157 13.038 -4.377 6 HG3 MET 1 HG3 MET 1 -0.287 11.506 -5.128 7 HE1 MET 1 HE1 MET 1 2.938 14.377 -6.763 8 HE2 MET 1 HE2 MET 1 1.215 14.748 -6.800 9 HE3 MET 1 HE3 MET 1 2.060 14.639 -5.256 10 H SER 2 H SER 2 -2.586 11.403 -5.729 11 HA SER 2 HA SER 2 -2.834 8.886 -7.120 12 HB2 SER 2 HB2 SER 2 -1.290 9.030 -4.510 13 HB3 SER 2 HB3 SER 2 -1.711 7.560 -5.388 14 HG SER 2 HG SER 2 -0.143 7.906 -6.756 15 H TYR 3 H TYR 3 -3.702 7.267 -5.110 16 HA TYR 3 HA TYR 3 -6.246 8.228 -4.500 17 HB2 TYR 3 HB2 TYR 3 -6.569 6.261 -3.259 18 HB3 TYR 3 HB3 TYR 3 -5.331 5.806 -4.422 19 HD1 TYR 3 HD1 TYR 3 -2.880 5.834 -3.612 20 HD2 TYR 3 HD2 TYR 3 -6.211 5.992 -0.974 21 HE1 TYR 3 HE1 TYR 3 -1.433 5.121 -1.753 22 HE2 TYR 3 HE2 TYR 3 -4.787 5.291 0.896 23 HH TYR 3 HH TYR 3 -2.641 4.048 1.203 24 H ALA 4 H ALA 4 -3.271 8.355 -2.648 25 HA ALA 4 HA ALA 4 -4.176 9.120 -0.153 26 HB1 ALA 4 HB1 ALA 4 -1.613 9.958 -1.494 27 HB2 ALA 4 HB2 ALA 4 -1.937 9.976 0.240 28 HB3 ALA 4 HB3 ALA 4 -1.878 8.444 -0.628 29 H ASP 5 H ASP 5 -3.957 11.032 -3.045 30 HA ASP 5 HA ASP 5 -3.800 13.603 -1.981 31 HB2 ASP 5 HB2 ASP 5 -3.630 13.140 -4.384 32 HB3 ASP 5 HB3 ASP 5 -5.328 12.678 -4.425 33 H SER 6 H SER 6 -6.497 11.391 -2.181 34 HA SER 6 HA SER 6 -8.105 13.333 -0.666 35 HB2 SER 6 HB2 SER 6 -9.159 11.582 -2.901 36 HB3 SER 6 HB3 SER 6 -10.102 12.711 -1.928 37 HG SER 6 HG SER 6 -7.919 13.879 -3.087 38 H SER 7 H SER 7 -6.514 11.087 0.249 39 HA SER 7 HA SER 7 -8.652 9.288 1.180 40 HB2 SER 7 HB2 SER 7 -5.718 8.729 0.744 41 HB3 SER 7 HB3 SER 7 -6.803 7.632 1.599 42 HG SER 7 HG SER 7 -7.163 8.557 -1.063 43 H ARG 8 H ARG 8 -8.578 8.535 3.299 44 HA ARG 8 HA ARG 8 -6.850 9.914 5.198 45 HB2 ARG 8 HB2 ARG 8 -8.503 11.056 6.318 46 HB3 ARG 8 HB3 ARG 8 -9.170 11.128 4.695 47 HG2 ARG 8 HG2 ARG 8 -10.194 8.770 5.647 48 HG3 ARG 8 HG3 ARG 8 -10.182 9.795 7.084 49 HD2 ARG 8 HD2 ARG 8 -12.272 10.170 6.105 50 HD3 ARG 8 HD3 ARG 8 -11.301 11.558 5.612 51 HE ARG 8 HE ARG 8 -11.005 10.420 3.454 52 HH11 ARG 8 HH12 ARG 8 -13.617 9.351 5.531 53 HH12 ARG 8 HH11 ARG 8 -14.565 8.719 4.212 54 HH21 ARG 8 HH22 ARG 8 -12.271 9.603 1.728 55 HH22 ARG 8 HH21 ARG 8 -13.809 8.876 2.068 56 H ASN 9 H ASN 9 -7.146 8.980 7.391 57 HA ASN 9 HA ASN 9 -7.022 7.173 8.758 58 HB2 ASN 9 HB2 ASN 9 -9.648 6.781 7.350 59 HB3 ASN 9 HB3 ASN 9 -9.099 5.635 8.571 60 HD21 ASN 9 HD21 ASN 9 -9.156 6.190 10.691 61 HD22 ASN 9 HD22 ASN 9 -9.851 7.666 11.274 62 H ALA 10 H ALA 10 -5.602 6.938 6.276 63 HA ALA 10 HA ALA 10 -5.932 4.279 5.273 64 HB1 ALA 10 HB1 ALA 10 -5.038 6.073 3.873 65 HB2 ALA 10 HB2 ALA 10 -3.645 6.218 4.942 66 HB3 ALA 10 HB3 ALA 10 -3.889 4.745 4.005 67 H VAL 11 H VAL 11 -5.431 2.541 6.397 68 HA VAL 11 HA VAL 11 -2.948 2.481 7.963 69 HB VAL 11 HB VAL 11 -5.571 1.478 9.106 70 HG11 VAL 11 HG11 VAL 11 -2.836 1.759 10.344 71 HG12 VAL 11 HG12 VAL 11 -4.296 1.248 11.191 72 HG13 VAL 11 HG13 VAL 11 -3.632 0.252 9.895 73 HG21 VAL 11 HG21 VAL 11 -4.051 3.977 9.841 74 HG22 VAL 11 HG22 VAL 11 -5.624 3.909 9.048 75 HG23 VAL 11 HG23 VAL 11 -5.446 3.331 10.706 76 H LEU 12 H LEU 12 -2.137 0.345 8.292 77 HA LEU 12 HA LEU 12 -2.994 -1.518 6.240 78 HB2 LEU 12 HB2 LEU 12 -0.534 -0.884 7.488 79 HB3 LEU 12 HB3 LEU 12 -0.904 -2.542 7.914 80 HG LEU 12 HG LEU 12 -0.971 -3.212 5.624 81 HD11 LEU 12 HD11 LEU 12 -0.621 -1.624 3.786 82 HD12 LEU 12 HD12 LEU 12 -2.110 -1.294 4.676 83 HD13 LEU 12 HD13 LEU 12 -0.682 -0.291 4.940 84 HD21 LEU 12 HD21 LEU 12 1.300 -2.564 4.865 85 HD22 LEU 12 HD22 LEU 12 1.361 -1.382 6.168 86 HD23 LEU 12 HD23 LEU 12 1.247 -3.098 6.544 87 H THR 13 H THR 13 -3.845 -3.523 6.631 88 HA THR 13 HA THR 13 -4.527 -4.178 9.418 89 HB THR 13 HB THR 13 -6.315 -4.659 7.021 90 HG1 THR 13 HG1 THR 13 -5.848 -2.367 8.429 91 HG21 THR 13 HG21 THR 13 -8.052 -5.018 8.686 92 HG22 THR 13 HG22 THR 13 -6.917 -4.653 9.984 93 HG23 THR 13 HG23 THR 13 -6.692 -6.099 9.000 94 H ASN 14 H ASN 14 -5.021 -6.508 9.710 95 HA ASN 14 HA ASN 14 -4.689 -8.750 9.404 96 HB2 ASN 14 HB2 ASN 14 -5.217 -7.944 6.905 97 HB3 ASN 14 HB3 ASN 14 -3.541 -8.429 6.683 98 HD21 ASN 14 HD21 ASN 14 -5.834 -9.642 5.496 99 HD22 ASN 14 HD22 ASN 14 -5.876 -11.284 6.040 100 H GLY 15 H GLY 15 -2.446 -6.477 9.625 101 HA2 GLY 15 HA3 GLY 15 -0.341 -6.818 10.668 102 HA3 GLY 15 HA2 GLY 15 -0.275 -8.423 9.951 103 H GLY 16 H GLY 16 -1.302 -5.770 8.040 104 HA2 GLY 16 HA3 GLY 16 -0.014 -4.391 6.608 105 HA3 GLY 16 HA2 GLY 16 1.355 -5.467 6.848 106 H ARG 17 H ARG 17 -1.729 -6.861 6.229 107 HA ARG 17 HA ARG 17 -0.764 -7.693 3.589 108 HB2 ARG 17 HB2 ARG 17 -3.058 -8.974 5.049 109 HB3 ARG 17 HB3 ARG 17 -2.039 -9.657 3.790 110 HG2 ARG 17 HG2 ARG 17 -0.136 -9.514 5.475 111 HG3 ARG 17 HG3 ARG 17 -1.375 -9.198 6.677 112 HD2 ARG 17 HD2 ARG 17 -0.716 -11.581 6.546 113 HD3 ARG 17 HD3 ARG 17 -2.429 -11.300 6.251 114 HE ARG 17 HE ARG 17 -1.162 -11.334 3.768 115 HH11 ARG 17 HH12 ARG 17 -1.613 -13.528 6.441 116 HH12 ARG 17 HH11 ARG 17 -1.770 -14.939 5.441 117 HH21 ARG 17 HH22 ARG 17 -1.436 -13.158 2.412 118 HH22 ARG 17 HH21 ARG 17 -1.666 -14.729 3.135 119 H THR 18 H THR 18 -3.142 -5.806 5.161 120 HA THR 18 HA THR 18 -4.559 -5.510 2.596 121 HB THR 18 HB THR 18 -5.860 -5.431 5.323 122 HG1 THR 18 HG1 THR 18 -6.164 -7.425 3.288 123 HG21 THR 18 HG21 THR 18 -6.954 -3.995 3.671 124 HG22 THR 18 HG22 THR 18 -7.959 -5.389 4.072 125 HG23 THR 18 HG23 THR 18 -7.061 -5.358 2.554 126 H LEU 19 H LEU 19 -4.597 -3.498 1.869 127 HA LEU 19 HA LEU 19 -3.857 -1.299 3.633 128 HB2 LEU 19 HB2 LEU 19 -2.670 -1.448 1.541 129 HB3 LEU 19 HB3 LEU 19 -4.172 -1.536 0.642 130 HG LEU 19 HG LEU 19 -4.683 0.788 1.306 131 HD11 LEU 19 HD11 LEU 19 -2.935 2.161 2.303 132 HD12 LEU 19 HD12 LEU 19 -3.435 0.866 3.389 133 HD13 LEU 19 HD13 LEU 19 -1.919 0.732 2.497 134 HD21 LEU 19 HD21 LEU 19 -2.020 0.374 -0.040 135 HD22 LEU 19 HD22 LEU 19 -3.604 0.327 -0.815 136 HD23 LEU 19 HD23 LEU 19 -3.002 1.838 -0.133 137 H ARG 20 H ARG 20 -5.571 -0.523 4.742 138 HA ARG 20 HA ARG 20 -8.148 -0.226 3.359 139 HB2 ARG 20 HB2 ARG 20 -7.771 -1.376 5.696 140 HB3 ARG 20 HB3 ARG 20 -7.719 0.275 6.289 141 HG2 ARG 20 HG2 ARG 20 -10.020 -0.932 4.767 142 HG3 ARG 20 HG3 ARG 20 -9.927 -0.797 6.521 143 HD2 ARG 20 HD2 ARG 20 -10.031 1.445 4.512 144 HD3 ARG 20 HD3 ARG 20 -11.270 1.000 5.683 145 HE ARG 20 HE ARG 20 -8.643 2.143 6.395 146 HH11 ARG 20 HH12 ARG 20 -12.062 1.681 7.032 147 HH12 ARG 20 HH11 ARG 20 -12.094 2.841 8.329 148 HH21 ARG 20 HH22 ARG 20 -8.694 3.649 8.111 149 HH22 ARG 20 HH21 ARG 20 -10.186 3.928 8.959 150 H ALA 21 H ALA 21 -8.711 1.759 2.644 151 HA ALA 21 HA ALA 21 -7.814 4.125 4.086 152 HB1 ALA 21 HB1 ALA 21 -7.261 3.758 1.144 153 HB2 ALA 21 HB2 ALA 21 -6.945 5.213 2.088 154 HB3 ALA 21 HB3 ALA 21 -6.051 3.731 2.428 155 H GLU 22 H GLU 22 -9.155 5.881 3.855 156 HA GLU 22 HA GLU 22 -11.650 5.365 2.391 157 HB2 GLU 22 HB2 GLU 22 -11.344 7.546 4.424 158 HB3 GLU 22 HB3 GLU 22 -12.784 6.645 3.970 159 HG2 GLU 22 HG2 GLU 22 -11.544 4.624 5.015 160 HG3 GLU 22 HG3 GLU 22 -10.556 5.861 5.795 161 H CYS 23 H CYS 23 -11.736 6.342 0.468 162 HA CYS 23 HA CYS 23 -10.537 9.020 0.191 163 HB2 CYS 23 HB2 CYS 23 -9.123 7.323 -0.904 164 HB3 CYS 23 HB3 CYS 23 -10.501 6.800 -1.865 165 HG CYS 23 HG CYS 23 -10.617 8.918 -3.511 166 H ARG 24 H ARG 24 -11.585 10.453 -1.161 167 HA ARG 24 HA ARG 24 -14.410 10.055 -1.491 168 HB2 ARG 24 HB2 ARG 24 -14.386 12.283 -1.307 169 HB3 ARG 24 HB3 ARG 24 -12.631 12.279 -1.339 170 HG2 ARG 24 HG2 ARG 24 -14.244 12.228 -3.866 171 HG3 ARG 24 HG3 ARG 24 -13.873 13.736 -3.028 172 HD2 ARG 24 HD2 ARG 24 -11.654 13.635 -3.538 173 HD3 ARG 24 HD3 ARG 24 -11.628 11.873 -3.557 174 HE ARG 24 HE ARG 24 -13.110 12.396 -5.716 175 HH11 ARG 24 HH12 ARG 24 -10.047 13.710 -4.616 176 HH12 ARG 24 HH11 ARG 24 -9.469 14.065 -6.217 177 HH21 ARG 24 HH22 ARG 24 -12.346 12.861 -7.836 178 HH22 ARG 24 HH21 ARG 24 -10.785 13.592 -8.048 179 H ASN 25 H ASN 25 -15.544 9.910 -3.450 180 HA ASN 25 HA ASN 25 -13.940 8.779 -5.610 181 HB2 ASN 25 HB2 ASN 25 -15.905 7.755 -6.420 182 HB3 ASN 25 HB3 ASN 25 -15.964 7.618 -4.676 183 HD21 ASN 25 HD21 ASN 25 -17.511 8.725 -3.520 184 HD22 ASN 25 HD22 ASN 25 -18.885 9.437 -4.293 185 H ALA 26 H ALA 26 -15.370 9.212 -7.845 186 HA ALA 26 HA ALA 26 -14.495 11.707 -8.711 187 HB1 ALA 26 HB1 ALA 26 -16.665 10.014 -9.937 188 HB2 ALA 26 HB2 ALA 26 -15.721 11.264 -10.749 189 HB3 ALA 26 HB3 ALA 26 -14.934 9.789 -10.185 190 H ASP 27 H ASP 27 -17.592 10.722 -7.414 191 HA ASP 27 HA ASP 27 -19.012 13.100 -8.119 192 HB2 ASP 27 HB2 ASP 27 -20.100 10.922 -7.650 193 HB3 ASP 27 HB3 ASP 27 -19.615 11.060 -5.966 194 H GLY 28 H GLY 28 -16.787 12.302 -5.658 195 HA2 GLY 28 HA3 GLY 28 -15.774 13.966 -4.295 196 HA3 GLY 28 HA2 GLY 28 -17.264 14.898 -4.376 197 H ASN 29 H ASN 29 -18.044 11.718 -3.890 198 HA ASN 29 HA ASN 29 -18.694 12.237 -1.103 199 HB2 ASN 29 HB2 ASN 29 -20.120 11.003 -3.014 200 HB3 ASN 29 HB3 ASN 29 -19.274 9.609 -2.358 201 HD21 ASN 29 HD21 ASN 29 -21.547 12.142 -1.684 202 HD22 ASN 29 HD22 ASN 29 -22.185 11.460 -0.225 203 H TRP 30 H TRP 30 -17.938 11.054 0.620 204 HA TRP 30 HA TRP 30 -15.318 9.946 0.329 205 HB2 TRP 30 HB2 TRP 30 -17.185 10.296 2.661 206 HB3 TRP 30 HB3 TRP 30 -15.665 9.422 2.825 207 HD1 TRP 30 HD1 TRP 30 -14.778 11.962 0.473 208 HE1 TRP 30 HE1 TRP 30 -13.755 14.036 1.604 209 HE3 TRP 30 HE3 TRP 30 -16.267 11.066 5.282 210 HZ2 TRP 30 HZ2 TRP 30 -13.605 15.139 4.199 211 HZ3 TRP 30 HZ3 TRP 30 -15.643 12.682 7.028 212 HH2 TRP 30 HH2 TRP 30 -14.339 14.676 6.497 213 H VAL 31 H VAL 31 -14.797 7.945 -0.134 214 HA VAL 31 HA VAL 31 -16.733 5.775 0.385 215 HB VAL 31 HB VAL 31 -14.640 5.751 -1.791 216 HG11 VAL 31 HG11 VAL 31 -16.066 4.012 -2.764 217 HG12 VAL 31 HG12 VAL 31 -15.508 3.582 -1.146 218 HG13 VAL 31 HG13 VAL 31 -17.160 4.149 -1.388 219 HG21 VAL 31 HG21 VAL 31 -17.505 6.647 -2.038 220 HG22 VAL 31 HG22 VAL 31 -16.064 7.645 -2.251 221 HG23 VAL 31 HG23 VAL 31 -16.412 6.340 -3.388 222 H THR 32 H THR 32 -15.853 3.824 1.199 223 HA THR 32 HA THR 32 -13.054 4.049 2.088 224 HB THR 32 HB THR 32 -15.282 2.490 3.412 225 HG1 THR 32 HG1 THR 32 -14.284 4.492 4.916 226 HG21 THR 32 HG21 THR 32 -12.475 3.128 4.341 227 HG22 THR 32 HG22 THR 32 -13.038 1.553 3.780 228 HG23 THR 32 HG23 THR 32 -13.696 2.247 5.262 229 H SER 33 H SER 33 -11.793 2.810 0.852 230 HA SER 33 HA SER 33 -12.841 0.189 0.027 231 HB2 SER 33 HB2 SER 33 -11.264 2.212 -1.499 232 HB3 SER 33 HB3 SER 33 -11.051 0.499 -1.871 233 HG SER 33 HG SER 33 -13.098 2.157 -2.511 234 H GLU 34 H GLU 34 -11.172 -1.425 -0.448 235 HA GLU 34 HA GLU 34 -8.781 -1.168 1.224 236 HB2 GLU 34 HB2 GLU 34 -10.340 -3.730 1.179 237 HB3 GLU 34 HB3 GLU 34 -9.164 -3.174 2.361 238 HG2 GLU 34 HG2 GLU 34 -10.808 -1.486 3.113 239 HG3 GLU 34 HG3 GLU 34 -11.976 -2.187 2.001 240 H LEU 35 H LEU 35 -7.010 -2.154 0.398 241 HA LEU 35 HA LEU 35 -7.376 -3.971 -1.884 242 HB2 LEU 35 HB2 LEU 35 -6.568 -1.493 -2.397 243 HB3 LEU 35 HB3 LEU 35 -5.028 -2.115 -1.841 244 HG LEU 35 HG LEU 35 -6.625 -3.017 -4.237 245 HD11 LEU 35 HD11 LEU 35 -4.613 -2.404 -5.457 246 HD12 LEU 35 HD12 LEU 35 -5.249 -1.038 -4.540 247 HD13 LEU 35 HD13 LEU 35 -3.839 -1.919 -3.947 248 HD21 LEU 35 HD21 LEU 35 -5.748 -5.018 -3.128 249 HD22 LEU 35 HD22 LEU 35 -4.910 -4.707 -4.647 250 HD23 LEU 35 HD23 LEU 35 -4.135 -4.309 -3.114 251 H ASP 36 H ASP 36 -6.640 -5.828 -1.272 252 HA ASP 36 HA ASP 36 -4.945 -6.206 0.952 253 HB2 ASP 36 HB2 ASP 36 -5.851 -8.024 -1.276 254 HB3 ASP 36 HB3 ASP 36 -4.864 -8.569 0.063 255 H LEU 37 H LEU 37 -2.926 -5.567 0.949 256 HA LEU 37 HA LEU 37 -1.332 -5.051 -1.294 257 HB2 LEU 37 HB2 LEU 37 -0.492 -5.764 1.512 258 HB3 LEU 37 HB3 LEU 37 0.548 -5.052 0.285 259 HG LEU 37 HG LEU 37 -1.791 -3.802 1.653 260 HD11 LEU 37 HD11 LEU 37 0.313 -3.964 2.847 261 HD12 LEU 37 HD12 LEU 37 1.113 -3.111 1.528 262 HD13 LEU 37 HD13 LEU 37 -0.124 -2.292 2.485 263 HD21 LEU 37 HD21 LEU 37 -1.845 -3.182 -0.700 264 HD22 LEU 37 HD22 LEU 37 -1.350 -1.812 0.296 265 HD23 LEU 37 HD23 LEU 37 -0.145 -2.717 -0.625 266 H ASP 38 H ASP 38 -1.446 -7.755 0.946 267 HA ASP 38 HA ASP 38 0.617 -9.232 -0.275 268 HB2 ASP 38 HB2 ASP 38 0.205 -10.877 1.262 269 HB3 ASP 38 HB3 ASP 38 -0.553 -9.512 2.070 270 H THR 39 H THR 39 -2.311 -8.418 -1.549 271 HA THR 39 HA THR 39 -2.570 -10.962 -2.993 272 HB THR 39 HB THR 39 -4.542 -9.452 -1.929 273 HG1 THR 39 HG1 THR 39 -4.877 -11.532 -2.680 274 HG21 THR 39 HG21 THR 39 -4.473 -8.721 -4.856 275 HG22 THR 39 HG22 THR 39 -4.223 -7.614 -3.506 276 HG23 THR 39 HG23 THR 39 -5.794 -8.384 -3.735 277 H ILE 40 H ILE 40 -1.220 -7.877 -3.343 278 HA ILE 40 HA ILE 40 -0.707 -8.406 -6.176 279 HB ILE 40 HB ILE 40 -1.096 -5.951 -6.690 280 HG12 ILE 40 HG13 ILE 40 -3.069 -5.110 -5.145 281 HG13 ILE 40 3HG1 ILE 40 -2.277 -6.134 -3.959 282 HG21 ILE 40 HG21 ILE 40 -3.483 -7.668 -6.022 283 HG22 ILE 40 HG22 ILE 40 -3.483 -6.281 -7.113 284 HG23 ILE 40 HG23 ILE 40 -2.546 -7.721 -7.516 285 HD11 ILE 40 HD11 ILE 40 -0.219 -4.868 -4.248 286 HD12 ILE 40 HD12 ILE 40 -1.020 -3.840 -5.437 287 HD13 ILE 40 HD13 ILE 40 -1.562 -3.835 -3.758 288 H ILE 41 H ILE 41 0.685 -8.081 -3.408 289 HA ILE 41 HA ILE 41 2.915 -6.461 -4.462 290 HB ILE 41 HB ILE 41 1.949 -6.622 -1.608 291 HG12 ILE 41 HG13 ILE 41 1.779 -4.561 -3.756 292 HG13 ILE 41 3HG1 ILE 41 0.598 -5.016 -2.533 293 HG21 ILE 41 HG21 ILE 41 4.371 -6.629 -1.645 294 HG22 ILE 41 HG22 ILE 41 4.374 -5.202 -2.682 295 HG23 ILE 41 HG23 ILE 41 3.749 -5.093 -1.034 296 HD11 ILE 41 HD11 ILE 41 1.491 -2.764 -2.185 297 HD12 ILE 41 HD12 ILE 41 1.843 -3.842 -0.835 298 HD13 ILE 41 HD13 ILE 41 3.107 -3.450 -2.001 299 H GLY 42 H GLY 42 4.857 -7.459 -4.447 300 HA2 GLY 42 HA3 GLY 42 5.006 -10.022 -2.983 301 HA3 GLY 42 HA2 GLY 42 5.600 -9.859 -4.626 302 H ASN 43 H ASN 43 7.153 -10.773 -2.500 303 HA ASN 43 HA ASN 43 9.029 -8.547 -2.105 304 HB2 ASN 43 HB2 ASN 43 8.410 -9.291 0.042 305 HB3 ASN 43 HB3 ASN 43 8.431 -10.980 -0.437 306 HD21 ASN 43 HD21 ASN 43 9.745 -11.519 1.283 307 HD22 ASN 43 HD22 ASN 43 11.441 -11.137 1.300 308 H ASN 44 H ASN 44 10.436 -8.630 -3.723 309 HA ASN 44 HA ASN 44 11.377 -11.221 -4.682 310 HB2 ASN 44 HB2 ASN 44 10.693 -9.373 -6.277 311 HB3 ASN 44 HB3 ASN 44 12.119 -8.487 -5.745 312 HD21 ASN 44 HD21 ASN 44 14.176 -9.273 -6.295 313 HD22 ASN 44 HD22 ASN 44 14.401 -10.430 -7.566 314 H ASP 45 H ASP 45 12.412 -11.590 -2.615 315 HA ASP 45 HA ASP 45 14.206 -11.707 -1.215 316 HB2 ASP 45 HB2 ASP 45 15.708 -11.087 -3.760 317 HB3 ASP 45 HB3 ASP 45 16.373 -11.850 -2.318 318 H GLY 46 H GLY 46 13.244 -9.564 -0.411 319 HA2 GLY 46 HA3 GLY 46 13.896 -7.698 0.783 320 HA3 GLY 46 HA2 GLY 46 15.506 -7.859 0.092 321 H HIS 47 H HIS 47 12.548 -7.637 -1.800 322 HA HIS 47 HA HIS 47 12.818 -4.800 -2.253 323 HB2 HIS 47 HB2 HIS 47 14.555 -5.646 -3.772 324 HB3 HIS 47 HB3 HIS 47 13.389 -6.731 -4.519 325 HD1 HIS 47 HD1 HIS 47 12.914 -5.857 -6.779 326 HD2 HIS 47 HD2 HIS 47 13.159 -2.800 -3.963 327 HE1 HIS 47 HE1 HIS 47 12.315 -3.745 -8.009 328 HE2 HIS 47 HE2 HIS 47 12.671 -1.890 -6.340 329 H PHE 48 H PHE 48 10.787 -4.067 -2.367 330 HA PHE 48 HA PHE 48 8.554 -5.770 -2.626 331 HB2 PHE 48 HB2 PHE 48 8.839 -2.779 -2.803 332 HB3 PHE 48 HB3 PHE 48 7.283 -3.585 -2.975 333 HD1 PHE 48 HD1 PHE 48 6.567 -5.133 -1.054 334 HD2 PHE 48 HD2 PHE 48 9.634 -2.207 -0.712 335 HE1 PHE 48 HE1 PHE 48 6.303 -5.150 1.388 336 HE2 PHE 48 HE2 PHE 48 9.380 -2.224 1.736 337 HZ PHE 48 HZ PHE 48 7.712 -3.695 2.789 338 H GLN 49 H GLN 49 7.153 -6.166 -4.272 339 HA GLN 49 HA GLN 49 7.829 -5.136 -6.930 340 HB2 GLN 49 HB2 GLN 49 8.776 -7.264 -7.092 341 HB3 GLN 49 HB3 GLN 49 7.558 -7.995 -6.057 342 HG2 GLN 49 HG2 GLN 49 5.916 -7.868 -7.803 343 HG3 GLN 49 HG3 GLN 49 7.023 -6.978 -8.840 344 HE21 GLN 49 HE21 GLN 49 5.646 -9.517 -9.290 345 HE22 GLN 49 HE22 GLN 49 6.881 -10.686 -9.610 346 H TRP 50 H TRP 50 6.113 -4.097 -7.670 347 HA TRP 50 HA TRP 50 3.494 -4.542 -6.625 348 HB2 TRP 50 HB2 TRP 50 4.551 -2.897 -8.929 349 HB3 TRP 50 HB3 TRP 50 2.829 -3.015 -8.580 350 HD1 TRP 50 HD1 TRP 50 5.832 -1.025 -7.674 351 HE1 TRP 50 HE1 TRP 50 5.297 0.538 -5.689 352 HE3 TRP 50 HE3 TRP 50 1.379 -3.067 -6.225 353 HZ2 TRP 50 HZ2 TRP 50 3.253 0.851 -3.777 354 HZ3 TRP 50 HZ3 TRP 50 0.200 -2.082 -4.307 355 HH2 TRP 50 HH2 TRP 50 1.116 -0.162 -3.110 356 H GLY 51 H GLY 51 2.327 -6.242 -7.090 357 HA2 GLY 51 HA3 GLY 51 1.026 -7.517 -8.628 358 HA3 GLY 51 HA2 GLY 51 2.240 -7.216 -9.864 359 H GLY 52 H GLY 52 2.767 -8.347 -6.536 360 HA2 GLY 52 HA3 GLY 52 3.885 -10.815 -7.716 361 HA3 GLY 52 HA2 GLY 52 4.523 -10.042 -6.275 362 H GLN 53 H GLN 53 2.325 -9.593 -4.768 363 HA GLN 53 HA GLN 53 0.831 -10.482 -3.342 364 HB2 GLN 53 HB2 GLN 53 -0.634 -11.251 -4.966 365 HB3 GLN 53 HB3 GLN 53 0.509 -12.437 -5.589 366 HG2 GLN 53 HG2 GLN 53 0.155 -13.861 -3.703 367 HG3 GLN 53 HG3 GLN 53 -0.791 -12.622 -2.885 368 HE21 GLN 53 HE21 GLN 53 -2.551 -13.937 -2.651 369 HE22 GLN 53 HE22 GLN 53 -3.576 -14.384 -3.977 370 H ASN 54 H ASN 54 0.794 -11.804 -1.578 371 HA ASN 54 HA ASN 54 1.529 -13.189 0.037 372 HB2 ASN 54 HB2 ASN 54 2.788 -14.599 -2.307 373 HB3 ASN 54 HB3 ASN 54 3.001 -15.164 -0.651 374 HD21 ASN 54 HD21 ASN 54 1.660 -16.427 -2.931 375 HD22 ASN 54 HD22 ASN 54 0.047 -16.753 -2.396 376 H PHE 55 H PHE 55 2.860 -10.769 -0.501 377 HA PHE 55 HA PHE 55 5.686 -11.248 -0.219 378 HB2 PHE 55 HB2 PHE 55 5.986 -8.951 -0.418 379 HB3 PHE 55 HB3 PHE 55 4.488 -9.175 -1.309 380 HD1 PHE 55 HD1 PHE 55 2.314 -8.597 -0.208 381 HD2 PHE 55 HD2 PHE 55 6.083 -7.575 1.488 382 HE1 PHE 55 HE1 PHE 55 1.222 -6.902 1.197 383 HE2 PHE 55 HE2 PHE 55 4.991 -5.878 2.899 384 HZ PHE 55 HZ PHE 55 2.558 -5.542 2.752 385 H THR 56 H THR 56 2.938 -10.617 1.790 386 HA THR 56 HA THR 56 4.233 -9.866 4.161 387 HB THR 56 HB THR 56 2.091 -10.666 5.246 388 HG1 THR 56 HG1 THR 56 0.955 -12.007 4.068 389 HG21 THR 56 HG21 THR 56 2.028 -8.764 2.909 390 HG22 THR 56 HG22 THR 56 2.279 -8.374 4.612 391 HG23 THR 56 HG23 THR 56 0.704 -8.933 4.056 392 H GLU 57 H GLU 57 3.575 -12.998 2.725 393 HA GLU 57 HA GLU 57 4.074 -14.525 5.049 394 HB2 GLU 57 HB2 GLU 57 4.086 -16.421 3.662 395 HB3 GLU 57 HB3 GLU 57 2.972 -15.299 2.896 396 HG2 GLU 57 HG2 GLU 57 4.781 -14.647 1.350 397 HG3 GLU 57 HG3 GLU 57 5.784 -15.908 2.069 398 H THR 58 H THR 58 6.116 -12.742 3.023 399 HA THR 58 HA THR 58 8.483 -14.058 4.180 400 HB THR 58 HB THR 58 9.732 -13.378 2.160 401 HG1 THR 58 HG1 THR 58 7.405 -12.016 1.685 402 HG21 THR 58 HG21 THR 58 8.760 -15.615 2.230 403 HG22 THR 58 HG22 THR 58 8.702 -14.970 0.587 404 HG23 THR 58 HG23 THR 58 7.243 -14.987 1.581 405 H ALA 59 H ALA 59 6.637 -11.608 4.700 406 HA ALA 59 HA ALA 59 8.821 -9.700 5.165 407 HB1 ALA 59 HB1 ALA 59 7.358 -8.892 3.373 408 HB2 ALA 59 HB2 ALA 59 5.973 -9.011 4.457 409 HB3 ALA 59 HB3 ALA 59 7.268 -7.865 4.805 410 H GLU 60 H GLU 60 8.698 -8.474 7.044 411 HA GLU 60 HA GLU 60 6.667 -9.156 9.031 412 HB2 GLU 60 HB2 GLU 60 9.232 -9.066 10.325 413 HB3 GLU 60 HB3 GLU 60 8.048 -10.365 10.329 414 HG2 GLU 60 HG2 GLU 60 8.998 -11.169 8.185 415 HG3 GLU 60 HG3 GLU 60 10.250 -9.930 8.311 416 H ASP 61 H ASP 61 7.000 -7.647 11.006 417 HA ASP 61 HA ASP 61 6.931 -5.476 11.761 418 HB2 ASP 61 HB2 ASP 61 9.510 -6.177 11.438 419 HB3 ASP 61 HB3 ASP 61 9.445 -4.846 10.300 420 H ILE 62 H ILE 62 5.227 -5.535 9.847 421 HA ILE 62 HA ILE 62 5.911 -3.785 7.644 422 HB ILE 62 HB ILE 62 3.186 -4.955 8.195 423 HG12 ILE 62 HG13 ILE 62 5.678 -6.246 7.091 424 HG13 ILE 62 3HG1 ILE 62 4.601 -6.846 8.339 425 HG21 ILE 62 HG21 ILE 62 3.314 -3.288 6.433 426 HG22 ILE 62 HG22 ILE 62 4.640 -4.165 5.667 427 HG23 ILE 62 HG23 ILE 62 3.031 -4.884 5.738 428 HD11 ILE 62 HD11 ILE 62 3.975 -6.665 5.404 429 HD12 ILE 62 HD12 ILE 62 4.362 -8.129 6.308 430 HD13 ILE 62 HD13 ILE 62 2.875 -7.246 6.657 431 H ARG 63 H ARG 63 5.892 -1.682 7.939 432 HA ARG 63 HA ARG 63 3.763 -0.450 9.545 433 HB2 ARG 63 HB2 ARG 63 6.611 0.386 9.062 434 HB3 ARG 63 HB3 ARG 63 5.396 1.494 9.673 435 HG2 ARG 63 HG2 ARG 63 6.453 0.744 11.552 436 HG3 ARG 63 HG3 ARG 63 4.984 -0.221 11.469 437 HD2 ARG 63 HD2 ARG 63 6.583 -1.855 10.144 438 HD3 ARG 63 HD3 ARG 63 7.808 -1.020 11.105 439 HE ARG 63 HE ARG 63 5.785 -2.838 12.049 440 HH11 ARG 63 HH12 ARG 63 8.006 -0.285 12.919 441 HH12 ARG 63 HH11 ARG 63 8.058 -0.729 14.597 442 HH21 ARG 63 HH22 ARG 63 5.852 -3.438 14.231 443 HH22 ARG 63 HH21 ARG 63 6.833 -2.540 15.351 444 H PHE 64 H PHE 64 2.297 0.588 8.396 445 HA PHE 64 HA PHE 64 2.962 1.504 5.712 446 HB2 PHE 64 HB2 PHE 64 0.919 0.285 5.839 447 HB3 PHE 64 HB3 PHE 64 0.353 1.234 7.205 448 HD1 PHE 64 HD2 PHE 64 1.857 2.418 4.012 449 HD2 PHE 64 HD1 PHE 64 -1.615 2.168 6.460 450 HE1 PHE 64 HE2 PHE 64 0.675 3.956 2.497 451 HE2 PHE 64 HE1 PHE 64 -2.792 3.690 4.943 452 HZ PHE 64 HZ PHE 64 -1.656 4.578 2.954 453 H HIS 65 H HIS 65 3.358 3.530 5.202 454 HA HIS 65 HA HIS 65 2.695 5.657 7.155 455 HB2 HIS 65 HB2 HIS 65 5.200 4.984 6.521 456 HB3 HIS 65 HB3 HIS 65 4.871 6.002 5.125 457 HD1 HIS 65 HD1 HIS 65 6.779 7.593 6.114 458 HD2 HIS 65 HD2 HIS 65 3.309 7.285 8.396 459 HE1 HIS 65 HE1 HIS 65 6.901 9.456 7.798 460 HE2 HIS 65 HE2 HIS 65 4.700 9.375 9.020 461 HA PRO 66 HA PRO 66 0.019 6.256 3.417 462 HB2 PRO 66 HB2 PRO 66 -1.740 7.853 4.810 463 HB3 PRO 66 HB3 PRO 66 -1.866 6.106 4.642 464 HG2 PRO 66 HG2 PRO 66 -0.774 7.709 6.900 465 HG3 PRO 66 HG3 PRO 66 -1.782 6.248 6.936 466 HD2 PRO 66 HD2 PRO 66 0.860 6.135 7.398 467 HD3 PRO 66 HD3 PRO 66 0.021 4.844 6.511 468 H LYS 67 H LYS 67 0.780 8.692 5.758 469 HA LYS 67 HA LYS 67 1.269 10.571 3.549 470 HB2 LYS 67 HB2 LYS 67 0.008 11.269 6.210 471 HB3 LYS 67 HB3 LYS 67 0.403 12.411 4.932 472 HG2 LYS 67 HG2 LYS 67 -1.684 12.126 4.221 473 HG3 LYS 67 HG3 LYS 67 -1.161 10.541 3.650 474 HD2 LYS 67 HD2 LYS 67 -3.139 10.238 4.958 475 HD3 LYS 67 HD3 LYS 67 -1.772 9.611 5.880 476 HE2 LYS 67 HE2 LYS 67 -3.205 10.882 7.342 477 HE3 LYS 67 HE3 LYS 67 -1.681 11.741 7.128 478 HZ1 LYS 67 HZ1 LYS 67 -2.814 13.130 5.433 479 HZ2 LYS 67 HZ2 LYS 67 -3.472 13.295 6.985 480 HZ3 LYS 67 HZ3 LYS 67 -4.278 12.370 5.824 481 H GLU 68 H GLU 68 3.447 9.992 3.659 482 HA GLU 68 HA GLU 68 4.957 10.177 6.035 483 HB2 GLU 68 HB2 GLU 68 5.776 8.839 4.230 484 HB3 GLU 68 HB3 GLU 68 5.796 10.225 3.148 485 HG2 GLU 68 HG2 GLU 68 7.690 11.098 4.052 486 HG3 GLU 68 HG3 GLU 68 7.407 10.358 5.634 487 H GLY 69 H GLY 69 5.310 11.905 7.158 488 HA2 GLY 69 HA3 GLY 69 5.688 14.069 7.770 489 HA3 GLY 69 HA2 GLY 69 6.749 14.110 6.371 490 H ALA 70 H ALA 70 6.307 16.194 5.815 491 HA ALA 70 HA ALA 70 3.564 17.018 5.359 492 HB1 ALA 70 HB1 ALA 70 5.175 18.611 6.285 493 HB2 ALA 70 HB2 ALA 70 6.155 18.470 4.826 494 HB3 ALA 70 HB3 ALA 70 4.537 19.168 4.738 495 H ALA 71 H ALA 71 5.758 15.180 3.757 496 HA ALA 71 HA ALA 71 5.392 16.163 1.086 497 HB1 ALA 71 HB1 ALA 71 6.510 14.059 0.420 498 HB2 ALA 71 HB2 ALA 71 7.417 14.955 1.640 499 HB3 ALA 71 HB3 ALA 71 6.482 13.532 2.106 500 H GLU 72 H GLU 72 3.646 14.267 3.277 501 HA GLU 72 HA GLU 72 1.779 12.970 3.184 502 HB2 GLU 72 HB2 GLU 72 1.212 14.669 0.746 503 HB3 GLU 72 HB3 GLU 72 0.028 13.714 1.625 504 HG2 GLU 72 HG2 GLU 72 0.376 15.103 3.604 505 HG3 GLU 72 HG3 GLU 72 1.562 16.060 2.718 506 H GLN 73 H GLN 73 3.962 11.722 2.138 507 HA GLN 73 HA GLN 73 3.005 10.496 -0.344 508 HB2 GLN 73 HB2 GLN 73 5.219 11.487 -0.484 509 HB3 GLN 73 HB3 GLN 73 5.761 10.515 0.876 510 HG2 GLN 73 HG2 GLN 73 5.593 8.510 -0.387 511 HG3 GLN 73 HG3 GLN 73 4.778 9.344 -1.710 512 HE21 GLN 73 HE21 GLN 73 7.263 7.772 -1.663 513 HE22 GLN 73 HE22 GLN 73 8.472 8.814 -2.321 514 HA PRO 74 HA PRO 74 2.072 6.947 2.173 515 HB2 PRO 74 HB2 PRO 74 0.866 5.515 0.227 516 HB3 PRO 74 HB3 PRO 74 0.068 6.871 1.030 517 HG2 PRO 74 HG2 PRO 74 1.443 6.790 -1.627 518 HG3 PRO 74 HG3 PRO 74 -0.081 7.579 -1.182 519 HD2 PRO 74 HD2 PRO 74 2.284 8.914 -1.405 520 HD3 PRO 74 HD3 PRO 74 0.983 9.416 -0.308 521 H ILE 75 H ILE 75 3.839 5.800 2.662 522 HA ILE 75 HA ILE 75 4.937 4.091 0.550 523 HB ILE 75 HB ILE 75 7.170 4.497 1.033 524 HG12 ILE 75 HG13 ILE 75 7.554 6.204 3.131 525 HG13 ILE 75 3HG1 ILE 75 6.201 5.235 3.711 526 HG21 ILE 75 HG21 ILE 75 6.220 6.406 -0.111 527 HG22 ILE 75 HG22 ILE 75 5.834 7.167 1.433 528 HG23 ILE 75 HG23 ILE 75 7.519 6.921 0.966 529 HD11 ILE 75 HD11 ILE 75 8.842 4.167 2.736 530 HD12 ILE 75 HD12 ILE 75 8.328 4.297 4.418 531 HD13 ILE 75 HD13 ILE 75 7.490 3.198 3.320 532 H LEU 76 H LEU 76 5.417 2.046 1.176 533 HA LEU 76 HA LEU 76 4.698 1.360 3.945 534 HB2 LEU 76 HB2 LEU 76 3.129 0.547 2.245 535 HB3 LEU 76 HB3 LEU 76 4.435 -0.268 1.414 536 HG LEU 76 HG LEU 76 2.773 -1.571 2.974 537 HD11 LEU 76 HD11 LEU 76 4.481 -3.260 3.354 538 HD12 LEU 76 HD12 LEU 76 4.645 -2.562 1.743 539 HD13 LEU 76 HD13 LEU 76 5.744 -2.073 3.032 540 HD21 LEU 76 HD21 LEU 76 3.189 -0.189 4.946 541 HD22 LEU 76 HD22 LEU 76 3.601 -1.882 5.217 542 HD23 LEU 76 HD23 LEU 76 4.879 -0.701 4.932 543 H ARG 77 H ARG 77 6.320 0.646 5.173 544 HA ARG 77 HA ARG 77 8.584 -0.633 3.798 545 HB2 ARG 77 HB2 ARG 77 10.138 0.402 5.163 546 HB3 ARG 77 HB3 ARG 77 8.966 1.682 4.908 547 HG2 ARG 77 HG2 ARG 77 8.877 -0.083 7.329 548 HG3 ARG 77 HG3 ARG 77 9.899 1.345 7.248 549 HD2 ARG 77 HD2 ARG 77 6.899 1.259 6.989 550 HD3 ARG 77 HD3 ARG 77 7.826 1.878 8.350 551 HE ARG 77 HE ARG 77 7.696 3.137 5.690 552 HH11 ARG 77 HH12 ARG 77 8.336 3.293 9.122 553 HH12 ARG 77 HH11 ARG 77 8.616 5.011 9.129 554 HH21 ARG 77 HH22 ARG 77 8.119 5.408 5.687 555 HH22 ARG 77 HH21 ARG 77 8.535 6.196 7.177 556 H ALA 78 H ALA 78 9.377 -2.487 4.624 557 HA ALA 78 HA ALA 78 8.571 -3.524 7.184 558 HB1 ALA 78 HB1 ALA 78 7.596 -4.938 4.702 559 HB2 ALA 78 HB2 ALA 78 7.394 -5.478 6.369 560 HB3 ALA 78 HB3 ALA 78 6.578 -4.017 5.810 561 H ARG 79 H ARG 79 9.457 -5.831 7.435 562 HA ARG 79 HA ARG 79 12.160 -5.861 6.362 563 HB2 ARG 79 HB2 ARG 79 11.029 -8.063 8.065 564 HB3 ARG 79 HB3 ARG 79 12.679 -7.480 7.977 565 HG2 ARG 79 HG2 ARG 79 10.347 -6.249 9.416 566 HG3 ARG 79 HG3 ARG 79 11.855 -6.866 10.092 567 HD2 ARG 79 HD2 ARG 79 13.063 -5.058 8.866 568 HD3 ARG 79 HD3 ARG 79 11.488 -4.420 8.391 569 HE ARG 79 HE ARG 79 11.042 -4.121 10.816 570 HH11 ARG 79 HH12 ARG 79 14.345 -4.242 9.642 571 HH12 ARG 79 HH11 ARG 79 14.984 -3.322 10.968 572 HH21 ARG 79 HH22 ARG 79 11.872 -2.891 12.534 573 HH22 ARG 79 HH21 ARG 79 13.574 -2.544 12.604 574 H LEU 80 H LEU 80 12.526 -6.786 4.471 575 HA LEU 80 HA LEU 80 10.701 -8.859 3.507 576 HB2 LEU 80 HB2 LEU 80 12.373 -6.774 2.246 577 HB3 LEU 80 HB3 LEU 80 12.239 -8.288 1.372 578 HG LEU 80 HG LEU 80 9.920 -8.047 1.093 579 HD11 LEU 80 HD11 LEU 80 9.307 -7.407 3.331 580 HD12 LEU 80 HD12 LEU 80 9.989 -5.799 3.075 581 HD13 LEU 80 HD13 LEU 80 8.577 -6.315 2.153 582 HD21 LEU 80 HD21 LEU 80 11.132 -6.662 -0.413 583 HD22 LEU 80 HD22 LEU 80 9.669 -5.812 0.081 584 HD23 LEU 80 HD23 LEU 80 11.226 -5.369 0.784 585 H ARG 81 H ARG 81 11.306 -10.886 3.253 586 HA ARG 81 HA ARG 81 13.894 -11.718 4.173 587 HB2 ARG 81 HB2 ARG 81 11.983 -13.032 4.788 588 HB3 ARG 81 HB3 ARG 81 11.517 -13.247 3.108 589 HG2 ARG 81 HG2 ARG 81 14.199 -14.228 3.807 590 HG3 ARG 81 HG3 ARG 81 12.858 -15.075 4.568 591 HD2 ARG 81 HD2 ARG 81 11.848 -15.186 2.208 592 HD3 ARG 81 HD3 ARG 81 13.461 -14.731 1.648 593 HE ARG 81 HE ARG 81 14.307 -16.780 2.535 594 HH11 ARG 81 HH12 ARG 81 10.811 -16.552 2.519 595 HH12 ARG 81 HH11 ARG 81 10.571 -18.263 2.601 596 HH21 ARG 81 HH22 ARG 81 13.994 -19.036 2.641 597 HH22 ARG 81 HH21 ARG 81 12.373 -19.682 2.689 598 H ASP 82 H ASP 82 15.561 -12.513 3.092 599 HA ASP 82 HA ASP 82 15.572 -12.225 0.171 600 HB2 ASP 82 HB2 ASP 82 17.784 -12.318 2.215 601 HB3 ASP 82 HB3 ASP 82 18.097 -12.502 0.497 602 H CYS 83 H CYS 83 17.101 -13.880 -0.960 603 HA CYS 83 HA CYS 83 15.977 -16.409 -0.781 604 HB2 CYS 83 HB2 CYS 83 18.649 -15.542 -1.880 605 HB3 CYS 83 HB3 CYS 83 18.064 -17.193 -2.018 606 HG CYS 83 HG CYS 83 15.852 -14.962 -3.127 607 H ASN 84 H ASN 84 18.634 -15.051 1.003 608 HA ASN 84 HA ASN 84 19.787 -17.476 1.904 609 HB2 ASN 84 HB2 ASN 84 20.918 -15.244 1.921 610 HB3 ASN 84 HB3 ASN 84 19.882 -14.780 3.266 611 HD21 ASN 84 HD21 ASN 84 21.508 -14.524 4.729 612 HD22 ASN 84 HD22 ASN 84 22.449 -15.850 5.340 613 H GLY 85 H GLY 85 17.002 -15.698 2.897 614 HA2 GLY 85 HA3 GLY 85 15.303 -16.641 4.260 615 HA3 GLY 85 HA2 GLY 85 16.507 -17.701 4.985 616 H GLU 86 H GLU 86 16.777 -14.267 4.475 617 HA GLU 86 HA GLU 86 16.799 -13.846 7.384 618 HB2 GLU 86 HB2 GLU 86 18.566 -12.194 7.054 619 HB3 GLU 86 HB3 GLU 86 19.055 -13.750 6.395 620 HG2 GLU 86 HG2 GLU 86 18.380 -12.937 4.147 621 HG3 GLU 86 HG3 GLU 86 18.110 -11.350 4.861 622 H PHE 87 H PHE 87 16.959 -11.064 7.330 623 HA PHE 87 HA PHE 87 14.622 -10.251 5.751 624 HB2 PHE 87 HB2 PHE 87 13.635 -9.123 7.696 625 HB3 PHE 87 HB3 PHE 87 13.782 -10.853 7.977 626 HD1 PHE 87 HD1 PHE 87 15.558 -11.707 9.486 627 HD2 PHE 87 HD2 PHE 87 14.765 -7.551 9.055 628 HE1 PHE 87 HE1 PHE 87 16.779 -11.259 11.576 629 HE2 PHE 87 HE2 PHE 87 15.982 -7.095 11.142 630 HZ PHE 87 HZ PHE 87 16.993 -8.950 12.404 631 H HIS 88 H HIS 88 14.541 -8.290 5.080 632 HA HIS 88 HA HIS 88 16.573 -6.340 5.877 633 HB2 HIS 88 HB2 HIS 88 16.233 -7.637 3.232 634 HB3 HIS 88 HB3 HIS 88 16.496 -5.909 3.224 635 HD1 HIS 88 HD1 HIS 88 18.330 -8.832 2.839 636 HD2 HIS 88 HD2 HIS 88 18.900 -5.401 5.129 637 HE1 HIS 88 HE1 HIS 88 20.801 -8.743 3.343 638 HE2 HIS 88 HE2 HIS 88 21.083 -6.771 4.892 639 H ASP 89 H ASP 89 15.391 -4.607 6.519 640 HA ASP 89 HA ASP 89 12.682 -4.286 5.719 641 HB2 ASP 89 HB2 ASP 89 12.714 -2.192 6.983 642 HB3 ASP 89 HB3 ASP 89 13.418 -3.509 7.909 643 H ARG 90 H ARG 90 12.012 -3.635 3.840 644 HA ARG 90 HA ARG 90 13.577 -1.572 2.415 645 HB2 ARG 90 HB2 ARG 90 11.725 -3.672 1.260 646 HB3 ARG 90 HB3 ARG 90 12.625 -2.475 0.336 647 HG2 ARG 90 HG2 ARG 90 13.799 -4.696 1.991 648 HG3 ARG 90 HG3 ARG 90 13.704 -4.636 0.232 649 HD2 ARG 90 HD2 ARG 90 15.143 -2.644 0.233 650 HD3 ARG 90 HD3 ARG 90 15.262 -2.742 1.991 651 HE ARG 90 HE ARG 90 16.066 -5.132 0.585 652 HH11 ARG 90 HH12 ARG 90 17.131 -2.052 1.892 653 HH12 ARG 90 HH11 ARG 90 18.796 -2.555 2.033 654 HH21 ARG 90 HH22 ARG 90 18.229 -5.791 0.777 655 HH22 ARG 90 HH21 ARG 90 19.421 -4.673 1.388 656 H ASP 91 H ASP 91 11.936 -0.457 0.744 657 HA ASP 91 HA ASP 91 9.394 0.058 2.074 658 HB2 ASP 91 HB2 ASP 91 9.656 2.463 1.988 659 HB3 ASP 91 HB3 ASP 91 10.972 1.775 2.927 660 H VAL 92 H VAL 92 7.819 0.864 0.699 661 HA VAL 92 HA VAL 92 8.574 0.946 -2.132 662 HB VAL 92 HB VAL 92 7.650 -1.289 -1.560 663 HG11 VAL 92 HG11 VAL 92 5.242 -1.524 -1.177 664 HG12 VAL 92 HG12 VAL 92 6.051 -0.679 0.144 665 HG13 VAL 92 HG13 VAL 92 5.107 0.230 -1.039 666 HG21 VAL 92 HG21 VAL 92 6.070 0.376 -3.487 667 HG22 VAL 92 HG22 VAL 92 7.580 -0.480 -3.806 668 HG23 VAL 92 HG23 VAL 92 6.108 -1.389 -3.457 669 H ASN 93 H ASN 93 7.269 2.176 -3.447 670 HA ASN 93 HA ASN 93 5.985 4.367 -2.046 671 HB2 ASN 93 HB2 ASN 93 6.963 3.897 -4.826 672 HB3 ASN 93 HB3 ASN 93 5.762 5.148 -4.554 673 HD21 ASN 93 HD21 ASN 93 8.221 4.262 -2.232 674 HD22 ASN 93 HD22 ASN 93 9.118 5.736 -2.331 675 H LEU 94 H LEU 94 3.934 4.105 -1.473 676 HA LEU 94 HA LEU 94 2.176 2.370 -2.953 677 HB2 LEU 94 HB2 LEU 94 1.633 4.183 -0.605 678 HB3 LEU 94 HB3 LEU 94 0.465 3.072 -1.293 679 HG LEU 94 HG LEU 94 2.848 2.515 0.406 680 HD11 LEU 94 HD11 LEU 94 1.290 0.969 1.461 681 HD12 LEU 94 HD12 LEU 94 0.630 2.603 1.381 682 HD13 LEU 94 HD13 LEU 94 0.071 1.371 0.252 683 HD21 LEU 94 HD21 LEU 94 2.864 0.171 -0.255 684 HD22 LEU 94 HD22 LEU 94 1.670 0.500 -1.510 685 HD23 LEU 94 HD23 LEU 94 3.284 1.202 -1.623 686 H ASN 95 H ASN 95 3.255 5.326 -3.647 687 HA ASN 95 HA ASN 95 0.949 6.808 -4.304 688 HB2 ASN 95 HB2 ASN 95 3.535 6.914 -5.869 689 HB3 ASN 95 HB3 ASN 95 2.339 8.190 -5.680 690 HD21 ASN 95 HD21 ASN 95 5.112 6.709 -4.430 691 HD22 ASN 95 HD22 ASN 95 5.320 7.708 -3.048 692 H ARG 96 H ARG 96 2.192 3.955 -5.555 693 HA ARG 96 HA ARG 96 1.420 4.185 -8.278 694 HB2 ARG 96 HB2 ARG 96 2.135 1.920 -6.461 695 HB3 ARG 96 HB3 ARG 96 1.374 1.566 -8.002 696 HG2 ARG 96 HG2 ARG 96 3.802 1.391 -8.122 697 HG3 ARG 96 HG3 ARG 96 3.186 2.655 -9.185 698 HD2 ARG 96 HD2 ARG 96 4.068 3.391 -6.431 699 HD3 ARG 96 HD3 ARG 96 5.289 3.052 -7.657 700 HE ARG 96 HE ARG 96 3.204 4.984 -8.310 701 HH11 ARG 96 HH12 ARG 96 6.531 4.347 -7.444 702 HH12 ARG 96 HH11 ARG 96 7.085 5.943 -7.849 703 HH21 ARG 96 HH22 ARG 96 3.905 7.073 -8.863 704 HH22 ARG 96 HH21 ARG 96 5.590 7.498 -8.689 705 H ILE 97 H ILE 97 -0.297 3.799 -5.377 706 HA ILE 97 HA ILE 97 -2.563 2.455 -6.585 707 HB ILE 97 HB ILE 97 -2.209 3.555 -3.793 708 HG12 ILE 97 HG13 ILE 97 -2.211 0.641 -4.424 709 HG13 ILE 97 3HG1 ILE 97 -0.767 1.560 -4.835 710 HG21 ILE 97 HG21 ILE 97 -4.559 3.342 -4.427 711 HG22 ILE 97 HG22 ILE 97 -4.285 1.669 -4.913 712 HG23 ILE 97 HG23 ILE 97 -4.119 2.135 -3.220 713 HD11 ILE 97 HD11 ILE 97 -0.574 2.297 -2.530 714 HD12 ILE 97 HD12 ILE 97 -2.022 1.380 -2.110 715 HD13 ILE 97 HD13 ILE 97 -0.570 0.536 -2.651 716 H GLN 98 H GLN 98 -4.146 3.442 -7.520 717 HA GLN 98 HA GLN 98 -4.571 6.320 -7.062 718 HB2 GLN 98 HB2 GLN 98 -4.762 4.583 -9.476 719 HB3 GLN 98 HB3 GLN 98 -5.921 5.888 -9.333 720 HG2 GLN 98 HG2 GLN 98 -4.008 6.523 -10.686 721 HG3 GLN 98 HG3 GLN 98 -4.122 7.509 -9.231 722 HE21 GLN 98 HE21 GLN 98 -2.400 4.915 -10.806 723 HE22 GLN 98 HE22 GLN 98 -0.962 5.026 -9.847 724 H ASN 99 H ASN 99 -6.868 6.979 -7.395 725 HA ASN 99 HA ASN 99 -8.693 4.957 -6.282 726 HB2 ASN 99 HB2 ASN 99 -8.425 6.650 -4.638 727 HB3 ASN 99 HB3 ASN 99 -8.518 7.936 -5.837 728 HD21 ASN 99 HD21 ASN 99 -10.460 8.690 -6.480 729 HD22 ASN 99 HD22 ASN 99 -11.961 8.194 -5.781 730 H VAL 100 H VAL 100 -10.117 4.280 -7.724 731 HA VAL 100 HA VAL 100 -10.942 6.144 -9.853 732 HB VAL 100 HB VAL 100 -10.955 3.118 -9.954 733 HG11 VAL 100 HG11 VAL 100 -12.725 4.128 -11.300 734 HG12 VAL 100 HG12 VAL 100 -11.536 5.152 -12.107 735 HG13 VAL 100 HG13 VAL 100 -11.485 3.402 -12.321 736 HG21 VAL 100 HG21 VAL 100 -9.131 3.348 -11.575 737 HG22 VAL 100 HG22 VAL 100 -9.110 5.089 -11.301 738 HG23 VAL 100 HG23 VAL 100 -8.681 3.986 -9.994 739 H ASN 101 H ASN 101 -12.742 7.036 -9.127 740 HA ASN 101 HA ASN 101 -14.896 7.310 -8.491 741 HB2 ASN 101 HB2 ASN 101 -15.108 5.635 -10.456 742 HB3 ASN 101 HB3 ASN 101 -15.446 4.444 -9.205 743 HD21 ASN 101 HD21 ASN 101 -17.388 4.510 -8.126 744 HD22 ASN 101 HD22 ASN 101 -18.708 5.510 -8.632 745 H GLY 102 H GLY 102 -12.855 6.034 -6.637 746 HA2 GLY 102 HA3 GLY 102 -13.295 6.035 -4.266 747 HA3 GLY 102 HA2 GLY 102 -14.837 5.268 -4.600 748 H ARG 103 H ARG 103 -12.322 3.960 -6.452 749 HA ARG 103 HA ARG 103 -12.039 1.761 -4.512 750 HB2 ARG 103 HB2 ARG 103 -12.112 0.168 -6.229 751 HB3 ARG 103 HB3 ARG 103 -13.368 1.318 -6.660 752 HG2 ARG 103 HG2 ARG 103 -11.741 2.398 -8.213 753 HG3 ARG 103 HG3 ARG 103 -10.629 1.073 -7.872 754 HD2 ARG 103 HD2 ARG 103 -11.828 0.618 -9.917 755 HD3 ARG 103 HD3 ARG 103 -12.331 -0.523 -8.670 756 HE ARG 103 HE ARG 103 -14.031 1.770 -8.780 757 HH11 ARG 103 HH12 ARG 103 -13.362 -1.309 -10.305 758 HH12 ARG 103 HH11 ARG 103 -14.984 -1.524 -10.885 759 HH21 ARG 103 HH22 ARG 103 -16.173 1.496 -9.532 760 HH22 ARG 103 HH21 ARG 103 -16.584 0.070 -10.447 761 H LEU 104 H LEU 104 -10.016 0.919 -4.149 762 HA LEU 104 HA LEU 104 -7.790 2.571 -5.046 763 HB2 LEU 104 HB2 LEU 104 -7.850 0.261 -3.095 764 HB3 LEU 104 HB3 LEU 104 -6.495 1.339 -3.374 765 HG LEU 104 HG LEU 104 -9.160 2.099 -2.176 766 HD11 LEU 104 HD11 LEU 104 -7.764 0.806 -0.664 767 HD12 LEU 104 HD12 LEU 104 -6.409 1.897 -0.960 768 HD13 LEU 104 HD13 LEU 104 -7.856 2.490 -0.146 769 HD21 LEU 104 HD21 LEU 104 -8.238 3.916 -3.525 770 HD22 LEU 104 HD22 LEU 104 -8.163 4.294 -1.803 771 HD23 LEU 104 HD23 LEU 104 -6.706 3.788 -2.659 772 H VAL 105 H VAL 105 -6.444 2.023 -6.620 773 HA VAL 105 HA VAL 105 -6.169 -0.809 -7.343 774 HB VAL 105 HB VAL 105 -7.746 0.152 -8.947 775 HG11 VAL 105 HG11 VAL 105 -7.092 2.489 -8.806 776 HG12 VAL 105 HG12 VAL 105 -5.564 2.122 -9.608 777 HG13 VAL 105 HG13 VAL 105 -7.086 1.934 -10.479 778 HG21 VAL 105 HG21 VAL 105 -6.540 -0.383 -11.027 779 HG22 VAL 105 HG22 VAL 105 -5.023 -0.363 -10.131 780 HG23 VAL 105 HG23 VAL 105 -6.253 -1.569 -9.755 781 H PHE 106 H PHE 106 -4.122 -1.435 -7.771 782 HA PHE 106 HA PHE 106 -2.019 0.516 -7.312 783 HB2 PHE 106 HB2 PHE 106 -0.588 -1.311 -6.878 784 HB3 PHE 106 HB3 PHE 106 -2.142 -1.807 -6.217 785 HD1 PHE 106 HD1 PHE 106 -3.669 -3.149 -7.930 786 HD2 PHE 106 HD2 PHE 106 0.565 -2.804 -8.183 787 HE1 PHE 106 HE1 PHE 106 -3.589 -5.183 -9.314 788 HE2 PHE 106 HE2 PHE 106 0.653 -4.835 -9.568 789 HZ PHE 106 HZ PHE 106 -1.424 -6.024 -10.138 790 H GLN 107 H GLN 107 -0.393 1.016 -8.732 791 HA GLN 107 HA GLN 107 0.749 1.303 -10.658 792 HB2 GLN 107 HB2 GLN 107 0.910 -1.164 -10.717 793 HB3 GLN 107 HB3 GLN 107 -0.604 -1.228 -11.608 794 HG2 GLN 107 HG2 GLN 107 0.457 0.097 -13.412 795 HG3 GLN 107 HG3 GLN 107 1.981 0.004 -12.533 796 HE21 GLN 107 HE21 GLN 107 1.269 -0.991 -15.179 797 HE22 GLN 107 HE22 GLN 107 1.599 -2.693 -15.152 Start of MODEL 30 1 H MET 1 H MET 1 -3.976 11.556 -10.475 2 HA MET 1 HA MET 1 -1.744 12.024 -9.758 3 HB2 MET 1 HB2 MET 1 -2.185 13.930 -8.321 4 HB3 MET 1 HB3 MET 1 -3.116 12.931 -7.216 5 HG2 MET 1 HG2 MET 1 -0.865 13.472 -6.384 6 HG3 MET 1 HG3 MET 1 -1.153 11.739 -6.539 7 HE1 MET 1 HE1 MET 1 2.674 12.101 -7.356 8 HE2 MET 1 HE2 MET 1 1.743 13.033 -6.184 9 HE3 MET 1 HE3 MET 1 1.473 11.296 -6.345 10 H SER 2 H SER 2 -3.419 11.093 -6.801 11 HA SER 2 HA SER 2 -3.254 8.271 -7.400 12 HB2 SER 2 HB2 SER 2 -1.650 9.421 -5.093 13 HB3 SER 2 HB3 SER 2 -1.791 7.718 -5.526 14 HG SER 2 HG SER 2 -0.308 7.974 -6.989 15 H TYR 3 H TYR 3 -3.821 7.105 -5.089 16 HA TYR 3 HA TYR 3 -6.407 8.058 -4.447 17 HB2 TYR 3 HB2 TYR 3 -6.602 6.202 -3.036 18 HB3 TYR 3 HB3 TYR 3 -5.438 5.664 -4.236 19 HD1 TYR 3 HD2 TYR 3 -2.927 5.895 -3.595 20 HD2 TYR 3 HD1 TYR 3 -6.115 6.020 -0.782 21 HE1 TYR 3 HE2 TYR 3 -1.356 5.328 -1.793 22 HE2 TYR 3 HE1 TYR 3 -4.557 5.452 1.030 23 HH TYR 3 HH TYR 3 -2.362 4.346 1.289 24 H ALA 4 H ALA 4 -3.272 8.443 -2.962 25 HA ALA 4 HA ALA 4 -3.923 9.485 -0.484 26 HB1 ALA 4 HB1 ALA 4 -1.696 10.425 -0.452 27 HB2 ALA 4 HB2 ALA 4 -1.666 8.816 -1.171 28 HB3 ALA 4 HB3 ALA 4 -1.569 10.243 -2.200 29 H ASP 5 H ASP 5 -4.151 10.982 -3.597 30 HA ASP 5 HA ASP 5 -4.007 13.683 -2.948 31 HB2 ASP 5 HB2 ASP 5 -4.101 12.957 -5.251 32 HB3 ASP 5 HB3 ASP 5 -5.702 12.267 -5.016 33 H SER 6 H SER 6 -6.577 11.363 -2.438 34 HA SER 6 HA SER 6 -7.994 13.346 -0.827 35 HB2 SER 6 HB2 SER 6 -9.362 11.723 -2.985 36 HB3 SER 6 HB3 SER 6 -10.155 12.820 -1.857 37 HG SER 6 HG SER 6 -8.079 13.727 -3.550 38 H SER 7 H SER 7 -6.454 11.209 0.080 39 HA SER 7 HA SER 7 -8.504 9.292 0.967 40 HB2 SER 7 HB2 SER 7 -6.724 7.657 1.260 41 HB3 SER 7 HB3 SER 7 -6.695 8.281 -0.390 42 HG SER 7 HG SER 7 -5.155 9.756 1.305 43 H ARG 8 H ARG 8 -8.518 8.628 3.103 44 HA ARG 8 HA ARG 8 -6.787 9.972 5.016 45 HB2 ARG 8 HB2 ARG 8 -8.397 11.204 6.094 46 HB3 ARG 8 HB3 ARG 8 -9.035 11.289 4.459 47 HG2 ARG 8 HG2 ARG 8 -10.189 8.999 5.436 48 HG3 ARG 8 HG3 ARG 8 -10.150 10.056 6.850 49 HD2 ARG 8 HD2 ARG 8 -12.153 10.672 5.922 50 HD3 ARG 8 HD3 ARG 8 -11.070 11.828 5.145 51 HE ARG 8 HE ARG 8 -11.103 10.404 3.178 52 HH11 ARG 8 HH12 ARG 8 -13.547 9.803 5.606 53 HH12 ARG 8 HH11 ARG 8 -14.622 8.981 4.517 54 HH21 ARG 8 HH22 ARG 8 -12.521 9.315 1.733 55 HH22 ARG 8 HH21 ARG 8 -14.030 8.701 2.326 56 H ASN 9 H ASN 9 -7.252 9.099 7.247 57 HA ASN 9 HA ASN 9 -7.189 7.304 8.626 58 HB2 ASN 9 HB2 ASN 9 -9.754 6.825 7.116 59 HB3 ASN 9 HB3 ASN 9 -9.260 5.811 8.470 60 HD21 ASN 9 HD21 ASN 9 -11.561 7.608 8.146 61 HD22 ASN 9 HD22 ASN 9 -11.462 8.726 9.476 62 H ALA 10 H ALA 10 -5.666 7.023 6.216 63 HA ALA 10 HA ALA 10 -5.980 4.340 5.254 64 HB1 ALA 10 HB1 ALA 10 -5.071 6.127 3.843 65 HB2 ALA 10 HB2 ALA 10 -3.683 6.263 4.920 66 HB3 ALA 10 HB3 ALA 10 -3.941 4.783 3.999 67 H VAL 11 H VAL 11 -5.466 2.624 6.407 68 HA VAL 11 HA VAL 11 -3.015 2.611 8.026 69 HB VAL 11 HB VAL 11 -5.648 1.571 9.107 70 HG11 VAL 11 HG11 VAL 11 -2.956 1.937 10.413 71 HG12 VAL 11 HG12 VAL 11 -4.428 1.415 11.233 72 HG13 VAL 11 HG13 VAL 11 -3.713 0.406 9.977 73 HG21 VAL 11 HG21 VAL 11 -4.215 4.112 9.876 74 HG22 VAL 11 HG22 VAL 11 -5.734 4.010 8.986 75 HG23 VAL 11 HG23 VAL 11 -5.654 3.454 10.657 76 H LEU 12 H LEU 12 -2.231 0.431 8.451 77 HA LEU 12 HA LEU 12 -3.051 -1.431 6.355 78 HB2 LEU 12 HB2 LEU 12 -0.584 -0.759 7.548 79 HB3 LEU 12 HB3 LEU 12 -0.924 -2.411 8.023 80 HG LEU 12 HG LEU 12 -1.058 -3.121 5.737 81 HD11 LEU 12 HD11 LEU 12 -2.169 -1.187 4.784 82 HD12 LEU 12 HD12 LEU 12 -0.714 -0.216 5.011 83 HD13 LEU 12 HD13 LEU 12 -0.706 -1.568 3.876 84 HD21 LEU 12 HD21 LEU 12 1.163 -3.016 6.669 85 HD22 LEU 12 HD22 LEU 12 1.216 -2.563 4.966 86 HD23 LEU 12 HD23 LEU 12 1.311 -1.321 6.212 87 H THR 13 H THR 13 -3.796 -3.487 6.748 88 HA THR 13 HA THR 13 -4.448 -4.167 9.531 89 HB THR 13 HB THR 13 -6.278 -4.691 7.183 90 HG1 THR 13 HG1 THR 13 -5.795 -2.352 8.506 91 HG21 THR 13 HG21 THR 13 -6.777 -4.628 10.169 92 HG22 THR 13 HG22 THR 13 -6.636 -6.079 9.179 93 HG23 THR 13 HG23 THR 13 -7.982 -4.969 8.925 94 H ASN 14 H ASN 14 -4.944 -6.514 9.773 95 HA ASN 14 HA ASN 14 -4.578 -8.742 9.453 96 HB2 ASN 14 HB2 ASN 14 -5.134 -7.904 6.959 97 HB3 ASN 14 HB3 ASN 14 -3.465 -8.413 6.722 98 HD21 ASN 14 HD21 ASN 14 -5.915 -9.549 5.641 99 HD22 ASN 14 HD22 ASN 14 -5.939 -11.207 6.140 100 H GLY 15 H GLY 15 -2.410 -6.484 9.821 101 HA2 GLY 15 HA3 GLY 15 -0.287 -6.821 10.822 102 HA3 GLY 15 HA2 GLY 15 -0.183 -8.374 10.003 103 H GLY 16 H GLY 16 -1.330 -6.027 7.946 104 HA2 GLY 16 HA3 GLY 16 -0.018 -4.416 6.677 105 HA3 GLY 16 HA2 GLY 16 1.369 -5.477 6.896 106 H ARG 17 H ARG 17 -1.757 -6.777 6.221 107 HA ARG 17 HA ARG 17 -0.802 -7.620 3.576 108 HB2 ARG 17 HB2 ARG 17 -3.095 -8.916 5.009 109 HB3 ARG 17 HB3 ARG 17 -2.007 -9.606 3.813 110 HG2 ARG 17 HG2 ARG 17 -0.189 -9.465 5.562 111 HG3 ARG 17 HG3 ARG 17 -1.447 -9.039 6.709 112 HD2 ARG 17 HD2 ARG 17 -0.835 -11.463 6.684 113 HD3 ARG 17 HD3 ARG 17 -2.545 -11.119 6.431 114 HE ARG 17 HE ARG 17 -0.908 -11.495 4.044 115 HH11 ARG 17 HH12 ARG 17 -3.097 -12.882 6.382 116 HH12 ARG 17 HH11 ARG 17 -3.680 -14.127 5.322 117 HH21 ARG 17 HH22 ARG 17 -1.682 -13.135 2.605 118 HH22 ARG 17 HH21 ARG 17 -2.859 -14.270 3.172 119 H THR 18 H THR 18 -3.131 -5.756 5.229 120 HA THR 18 HA THR 18 -4.651 -5.440 2.732 121 HB THR 18 HB THR 18 -5.809 -5.380 5.525 122 HG1 THR 18 HG1 THR 18 -6.274 -7.306 3.464 123 HG21 THR 18 HG21 THR 18 -7.149 -5.191 2.823 124 HG22 THR 18 HG22 THR 18 -6.959 -3.874 3.983 125 HG23 THR 18 HG23 THR 18 -7.976 -5.260 4.382 126 H LEU 19 H LEU 19 -4.687 -3.444 2.007 127 HA LEU 19 HA LEU 19 -3.884 -1.233 3.734 128 HB2 LEU 19 HB2 LEU 19 -2.662 -1.405 1.691 129 HB3 LEU 19 HB3 LEU 19 -4.133 -1.571 0.753 130 HG LEU 19 HG LEU 19 -4.714 0.778 1.323 131 HD11 LEU 19 HD11 LEU 19 -1.947 0.807 2.513 132 HD12 LEU 19 HD12 LEU 19 -2.953 2.225 2.226 133 HD13 LEU 19 HD13 LEU 19 -3.467 1.002 3.387 134 HD21 LEU 19 HD21 LEU 19 -2.065 0.320 -0.033 135 HD22 LEU 19 HD22 LEU 19 -3.657 0.241 -0.782 136 HD23 LEU 19 HD23 LEU 19 -3.045 1.781 -0.175 137 H ARG 20 H ARG 20 -5.550 -0.321 4.780 138 HA ARG 20 HA ARG 20 -8.123 -0.029 3.381 139 HB2 ARG 20 HB2 ARG 20 -7.811 -1.129 5.735 140 HB3 ARG 20 HB3 ARG 20 -7.654 0.524 6.303 141 HG2 ARG 20 HG2 ARG 20 -10.036 -0.525 4.795 142 HG3 ARG 20 HG3 ARG 20 -9.923 -0.459 6.552 143 HD2 ARG 20 HD2 ARG 20 -9.887 1.866 4.629 144 HD3 ARG 20 HD3 ARG 20 -11.166 1.445 5.767 145 HE ARG 20 HE ARG 20 -8.583 2.661 6.403 146 HH11 ARG 20 HH12 ARG 20 -11.650 1.403 7.552 147 HH12 ARG 20 HH11 ARG 20 -11.571 2.270 9.061 148 HH21 ARG 20 HH22 ARG 20 -8.488 3.778 8.390 149 HH22 ARG 20 HH21 ARG 20 -9.768 3.584 9.552 150 H ALA 21 H ALA 21 -8.595 1.937 2.568 151 HA ALA 21 HA ALA 21 -7.680 4.329 3.969 152 HB1 ALA 21 HB1 ALA 21 -6.742 5.339 1.967 153 HB2 ALA 21 HB2 ALA 21 -5.894 3.843 2.357 154 HB3 ALA 21 HB3 ALA 21 -7.076 3.871 1.049 155 H GLU 22 H GLU 22 -9.099 6.003 3.803 156 HA GLU 22 HA GLU 22 -11.539 5.439 2.288 157 HB2 GLU 22 HB2 GLU 22 -11.170 7.662 4.280 158 HB3 GLU 22 HB3 GLU 22 -12.669 6.922 3.738 159 HG2 GLU 22 HG2 GLU 22 -11.684 4.775 4.825 160 HG3 GLU 22 HG3 GLU 22 -10.654 5.921 5.690 161 H CYS 23 H CYS 23 -11.575 6.267 0.300 162 HA CYS 23 HA CYS 23 -10.547 8.998 -0.083 163 HB2 CYS 23 HB2 CYS 23 -9.019 7.359 -1.099 164 HB3 CYS 23 HB3 CYS 23 -10.354 6.693 -2.036 165 HG CYS 23 HG CYS 23 -10.615 8.704 -3.779 166 H ARG 24 H ARG 24 -11.683 10.302 -1.529 167 HA ARG 24 HA ARG 24 -14.485 9.746 -1.738 168 HB2 ARG 24 HB2 ARG 24 -14.656 11.975 -1.865 169 HB3 ARG 24 HB3 ARG 24 -12.914 12.060 -1.687 170 HG2 ARG 24 HG2 ARG 24 -14.238 11.780 -4.368 171 HG3 ARG 24 HG3 ARG 24 -13.957 13.347 -3.609 172 HD2 ARG 24 HD2 ARG 24 -11.756 13.298 -4.052 173 HD3 ARG 24 HD3 ARG 24 -11.617 11.589 -3.641 174 HE ARG 24 HE ARG 24 -12.892 11.479 -5.999 175 HH11 ARG 24 HH12 ARG 24 -10.051 13.253 -4.952 176 HH12 ARG 24 HH11 ARG 24 -9.288 13.220 -6.512 177 HH21 ARG 24 HH22 ARG 24 -11.867 11.424 -8.074 178 HH22 ARG 24 HH21 ARG 24 -10.303 12.156 -8.273 179 H ASN 25 H ASN 25 -15.687 9.415 -3.612 180 HA ASN 25 HA ASN 25 -14.214 8.081 -5.726 181 HB2 ASN 25 HB2 ASN 25 -16.470 7.461 -6.573 182 HB3 ASN 25 HB3 ASN 25 -16.155 6.959 -4.921 183 HD21 ASN 25 HD21 ASN 25 -18.373 6.759 -4.550 184 HD22 ASN 25 HD22 ASN 25 -19.373 8.146 -4.294 185 H ALA 26 H ALA 26 -15.771 8.452 -7.939 186 HA ALA 26 HA ALA 26 -14.714 10.826 -9.012 187 HB1 ALA 26 HB1 ALA 26 -16.020 10.306 -10.996 188 HB2 ALA 26 HB2 ALA 26 -15.239 8.857 -10.362 189 HB3 ALA 26 HB3 ALA 26 -16.960 9.124 -10.083 190 H ASP 27 H ASP 27 -17.803 10.081 -7.565 191 HA ASP 27 HA ASP 27 -19.146 12.450 -8.424 192 HB2 ASP 27 HB2 ASP 27 -20.384 10.444 -7.769 193 HB3 ASP 27 HB3 ASP 27 -19.744 10.562 -6.136 194 H GLY 28 H GLY 28 -16.980 11.668 -5.867 195 HA2 GLY 28 HA3 GLY 28 -15.803 13.435 -4.735 196 HA3 GLY 28 HA2 GLY 28 -17.264 14.411 -4.837 197 H ASN 29 H ASN 29 -18.128 11.306 -4.132 198 HA ASN 29 HA ASN 29 -18.724 12.009 -1.384 199 HB2 ASN 29 HB2 ASN 29 -19.719 10.074 -3.338 200 HB3 ASN 29 HB3 ASN 29 -19.527 9.380 -1.730 201 HD21 ASN 29 HD21 ASN 29 -21.273 11.636 -3.695 202 HD22 ASN 29 HD22 ASN 29 -22.485 12.028 -2.515 203 H TRP 30 H TRP 30 -17.853 11.107 0.409 204 HA TRP 30 HA TRP 30 -15.263 9.946 0.167 205 HB2 TRP 30 HB2 TRP 30 -17.065 10.619 2.472 206 HB3 TRP 30 HB3 TRP 30 -15.572 9.724 2.729 207 HD1 TRP 30 HD1 TRP 30 -14.757 11.975 0.027 208 HE1 TRP 30 HE1 TRP 30 -13.604 14.113 0.883 209 HE3 TRP 30 HE3 TRP 30 -15.927 11.587 4.988 210 HZ2 TRP 30 HZ2 TRP 30 -13.243 15.451 3.350 211 HZ3 TRP 30 HZ3 TRP 30 -15.143 13.336 6.529 212 HH2 TRP 30 HH2 TRP 30 -13.828 15.228 5.724 213 H VAL 31 H VAL 31 -14.762 7.883 -0.080 214 HA VAL 31 HA VAL 31 -16.708 5.822 0.754 215 HB VAL 31 HB VAL 31 -14.776 5.525 -1.542 216 HG11 VAL 31 HG11 VAL 31 -15.657 3.459 -0.655 217 HG12 VAL 31 HG12 VAL 31 -17.306 4.060 -0.817 218 HG13 VAL 31 HG13 VAL 31 -16.329 3.764 -2.255 219 HG21 VAL 31 HG21 VAL 31 -16.616 6.048 -3.074 220 HG22 VAL 31 HG22 VAL 31 -17.622 6.494 -1.695 221 HG23 VAL 31 HG23 VAL 31 -16.171 7.427 -2.066 222 H THR 32 H THR 32 -15.838 3.885 1.589 223 HA THR 32 HA THR 32 -13.074 4.095 2.545 224 HB THR 32 HB THR 32 -15.166 2.066 3.355 225 HG1 THR 32 HG1 THR 32 -14.484 4.414 4.832 226 HG21 THR 32 HG21 THR 32 -12.865 1.448 3.893 227 HG22 THR 32 HG22 THR 32 -13.756 1.842 5.364 228 HG23 THR 32 HG23 THR 32 -12.618 3.005 4.684 229 H SER 33 H SER 33 -11.630 3.188 1.174 230 HA SER 33 HA SER 33 -12.458 0.810 -0.346 231 HB2 SER 33 HB2 SER 33 -10.114 2.592 -0.994 232 HB3 SER 33 HB3 SER 33 -10.951 1.463 -2.056 233 HG SER 33 HG SER 33 -12.615 2.846 -2.259 234 H GLU 34 H GLU 34 -11.286 -1.030 -0.269 235 HA GLU 34 HA GLU 34 -8.856 -1.061 1.378 236 HB2 GLU 34 HB2 GLU 34 -10.831 -3.326 1.361 237 HB3 GLU 34 HB3 GLU 34 -9.579 -2.964 2.544 238 HG2 GLU 34 HG2 GLU 34 -10.844 -1.002 3.263 239 HG3 GLU 34 HG3 GLU 34 -12.095 -1.385 2.092 240 H LEU 35 H LEU 35 -7.183 -2.095 0.496 241 HA LEU 35 HA LEU 35 -7.680 -4.030 -1.661 242 HB2 LEU 35 HB2 LEU 35 -7.005 -2.163 -2.909 243 HB3 LEU 35 HB3 LEU 35 -5.828 -1.667 -1.709 244 HG LEU 35 HG LEU 35 -4.367 -3.530 -2.337 245 HD11 LEU 35 HD11 LEU 35 -4.836 -4.949 -4.244 246 HD12 LEU 35 HD12 LEU 35 -6.096 -5.137 -3.027 247 HD13 LEU 35 HD13 LEU 35 -6.406 -4.169 -4.469 248 HD21 LEU 35 HD21 LEU 35 -4.109 -1.402 -3.476 249 HD22 LEU 35 HD22 LEU 35 -3.750 -2.743 -4.565 250 HD23 LEU 35 HD23 LEU 35 -5.290 -1.893 -4.690 251 H ASP 36 H ASP 36 -6.779 -5.882 -1.280 252 HA ASP 36 HA ASP 36 -5.080 -6.285 0.951 253 HB2 ASP 36 HB2 ASP 36 -6.093 -8.049 -1.266 254 HB3 ASP 36 HB3 ASP 36 -4.961 -8.634 -0.064 255 H LEU 37 H LEU 37 -3.071 -5.615 0.912 256 HA LEU 37 HA LEU 37 -1.496 -5.121 -1.356 257 HB2 LEU 37 HB2 LEU 37 -0.620 -5.789 1.450 258 HB3 LEU 37 HB3 LEU 37 0.363 -5.005 0.213 259 HG LEU 37 HG LEU 37 -2.184 -3.853 1.258 260 HD11 LEU 37 HD11 LEU 37 -0.576 -4.263 3.032 261 HD12 LEU 37 HD12 LEU 37 0.612 -3.300 2.153 262 HD13 LEU 37 HD13 LEU 37 -0.866 -2.541 2.753 263 HD21 LEU 37 HD21 LEU 37 -1.348 -1.793 0.319 264 HD22 LEU 37 HD22 LEU 37 0.139 -2.597 -0.183 265 HD23 LEU 37 HD23 LEU 37 -1.399 -3.041 -0.925 266 H ASP 38 H ASP 38 -1.772 -7.823 0.837 267 HA ASP 38 HA ASP 38 0.323 -9.380 -0.219 268 HB2 ASP 38 HB2 ASP 38 -0.401 -11.099 1.146 269 HB3 ASP 38 HB3 ASP 38 -1.069 -9.698 1.978 270 H THR 39 H THR 39 -2.475 -8.389 -1.727 271 HA THR 39 HA THR 39 -2.609 -10.876 -3.295 272 HB THR 39 HB THR 39 -4.688 -9.570 -2.193 273 HG1 THR 39 HG1 THR 39 -5.209 -11.464 -3.022 274 HG21 THR 39 HG21 THR 39 -4.438 -7.584 -3.581 275 HG22 THR 39 HG22 THR 39 -5.946 -8.420 -3.951 276 HG23 THR 39 HG23 THR 39 -4.563 -8.569 -5.037 277 H ILE 40 H ILE 40 -1.336 -7.754 -3.419 278 HA ILE 40 HA ILE 40 -0.805 -8.090 -6.278 279 HB ILE 40 HB ILE 40 -1.205 -5.618 -6.639 280 HG12 ILE 40 HG13 ILE 40 -3.172 -4.879 -5.008 281 HG13 ILE 40 3HG1 ILE 40 -2.327 -5.947 -3.897 282 HG21 ILE 40 HG21 ILE 40 -3.609 -5.911 -7.018 283 HG22 ILE 40 HG22 ILE 40 -2.674 -7.305 -7.557 284 HG23 ILE 40 HG23 ILE 40 -3.573 -7.379 -6.042 285 HD11 ILE 40 HD11 ILE 40 -1.163 -3.555 -5.292 286 HD12 ILE 40 HD12 ILE 40 -1.630 -3.659 -3.594 287 HD13 ILE 40 HD13 ILE 40 -0.293 -4.634 -4.203 288 H ILE 41 H ILE 41 0.578 -7.942 -3.477 289 HA ILE 41 HA ILE 41 2.833 -6.292 -4.435 290 HB ILE 41 HB ILE 41 1.824 -6.524 -1.599 291 HG12 ILE 41 HG13 ILE 41 1.694 -4.420 -3.704 292 HG13 ILE 41 3HG1 ILE 41 0.508 -4.873 -2.487 293 HG21 ILE 41 HG21 ILE 41 4.253 -6.547 -1.604 294 HG22 ILE 41 HG22 ILE 41 4.276 -5.089 -2.599 295 HG23 ILE 41 HG23 ILE 41 3.628 -5.027 -0.957 296 HD11 ILE 41 HD11 ILE 41 1.394 -2.648 -2.087 297 HD12 ILE 41 HD12 ILE 41 1.819 -3.750 -0.775 298 HD13 ILE 41 HD13 ILE 41 3.025 -3.314 -1.986 299 H GLY 42 H GLY 42 4.779 -7.297 -4.425 300 HA2 GLY 42 HA3 GLY 42 4.935 -9.870 -2.979 301 HA3 GLY 42 HA2 GLY 42 5.491 -9.719 -4.638 302 H ASN 43 H ASN 43 7.046 -10.591 -2.454 303 HA ASN 43 HA ASN 43 8.973 -8.390 -2.169 304 HB2 ASN 43 HB2 ASN 43 8.372 -9.053 0.018 305 HB3 ASN 43 HB3 ASN 43 8.359 -10.757 -0.411 306 HD21 ASN 43 HD21 ASN 43 9.706 -11.293 1.268 307 HD22 ASN 43 HD22 ASN 43 11.405 -10.932 1.253 308 H ASN 44 H ASN 44 10.491 -8.541 -3.662 309 HA ASN 44 HA ASN 44 11.403 -11.213 -4.479 310 HB2 ASN 44 HB2 ASN 44 10.647 -9.782 -6.312 311 HB3 ASN 44 HB3 ASN 44 11.778 -8.525 -5.823 312 HD21 ASN 44 HD21 ASN 44 12.531 -11.968 -5.832 313 HD22 ASN 44 HD22 ASN 44 13.692 -11.880 -7.115 314 H ASP 45 H ASP 45 12.705 -11.610 -2.698 315 HA ASP 45 HA ASP 45 14.553 -11.574 -1.371 316 HB2 ASP 45 HB2 ASP 45 15.553 -10.994 -4.119 317 HB3 ASP 45 HB3 ASP 45 16.689 -10.901 -2.777 318 H GLY 46 H GLY 46 13.218 -9.430 -0.631 319 HA2 GLY 46 HA3 GLY 46 13.676 -7.549 0.650 320 HA3 GLY 46 HA2 GLY 46 15.343 -7.614 0.098 321 H HIS 47 H HIS 47 12.393 -7.461 -1.838 322 HA HIS 47 HA HIS 47 12.756 -4.668 -2.442 323 HB2 HIS 47 HB2 HIS 47 14.436 -5.785 -3.916 324 HB3 HIS 47 HB3 HIS 47 13.128 -6.701 -4.657 325 HD1 HIS 47 HD1 HIS 47 14.181 -3.089 -4.178 326 HD2 HIS 47 HD2 HIS 47 12.003 -5.465 -6.807 327 HE1 HIS 47 HE1 HIS 47 13.570 -1.588 -6.100 328 HE2 HIS 47 HE2 HIS 47 12.443 -3.101 -7.767 329 H PHE 48 H PHE 48 10.740 -3.908 -2.476 330 HA PHE 48 HA PHE 48 8.463 -5.565 -2.704 331 HB2 PHE 48 HB2 PHE 48 8.812 -2.579 -2.817 332 HB3 PHE 48 HB3 PHE 48 7.236 -3.342 -3.007 333 HD1 PHE 48 HD1 PHE 48 6.626 -5.070 -1.111 334 HD2 PHE 48 HD2 PHE 48 9.468 -1.927 -0.726 335 HE1 PHE 48 HE1 PHE 48 6.353 -5.128 1.334 336 HE2 PHE 48 HE2 PHE 48 9.209 -1.988 1.719 337 HZ PHE 48 HZ PHE 48 7.650 -3.590 2.751 338 H GLN 49 H GLN 49 7.156 -6.060 -4.356 339 HA GLN 49 HA GLN 49 7.773 -4.914 -6.979 340 HB2 GLN 49 HB2 GLN 49 8.831 -6.972 -7.200 341 HB3 GLN 49 HB3 GLN 49 7.669 -7.794 -6.166 342 HG2 GLN 49 HG2 GLN 49 6.060 -7.890 -7.871 343 HG3 GLN 49 HG3 GLN 49 6.911 -6.709 -8.857 344 HE21 GLN 49 HE21 GLN 49 9.518 -7.920 -8.395 345 HE22 GLN 49 HE22 GLN 49 9.549 -9.366 -9.350 346 H TRP 50 H TRP 50 6.036 -3.910 -7.671 347 HA TRP 50 HA TRP 50 3.443 -4.391 -6.627 348 HB2 TRP 50 HB2 TRP 50 4.437 -2.778 -8.980 349 HB3 TRP 50 HB3 TRP 50 2.730 -2.882 -8.565 350 HD1 TRP 50 HD1 TRP 50 5.761 -0.881 -7.826 351 HE1 TRP 50 HE1 TRP 50 5.312 0.726 -5.852 352 HE3 TRP 50 HE3 TRP 50 1.379 -2.887 -6.125 353 HZ2 TRP 50 HZ2 TRP 50 3.370 1.079 -3.852 354 HZ3 TRP 50 HZ3 TRP 50 0.287 -1.852 -4.181 355 HH2 TRP 50 HH2 TRP 50 1.259 0.090 -3.070 356 H GLY 51 H GLY 51 2.234 -6.070 -7.066 357 HA2 GLY 51 HA3 GLY 51 0.899 -7.337 -8.585 358 HA3 GLY 51 HA2 GLY 51 2.108 -7.067 -9.833 359 H GLY 52 H GLY 52 2.847 -8.094 -6.554 360 HA2 GLY 52 HA3 GLY 52 3.923 -10.587 -7.686 361 HA3 GLY 52 HA2 GLY 52 4.458 -9.836 -6.192 362 H GLN 53 H GLN 53 2.251 -9.470 -4.752 363 HA GLN 53 HA GLN 53 0.667 -10.402 -3.442 364 HB2 GLN 53 HB2 GLN 53 -0.679 -11.082 -5.205 365 HB3 GLN 53 HB3 GLN 53 0.493 -12.250 -5.790 366 HG2 GLN 53 HG2 GLN 53 -0.019 -13.727 -3.941 367 HG3 GLN 53 HG3 GLN 53 -1.119 -12.526 -3.265 368 HE21 GLN 53 HE21 GLN 53 -2.863 -13.928 -3.351 369 HE22 GLN 53 HE22 GLN 53 -3.634 -14.358 -4.847 370 H ASN 54 H ASN 54 0.633 -11.703 -1.685 371 HA ASN 54 HA ASN 54 1.335 -13.109 -0.065 372 HB2 ASN 54 HB2 ASN 54 2.492 -14.528 -2.432 373 HB3 ASN 54 HB3 ASN 54 2.936 -15.039 -0.808 374 HD21 ASN 54 HD21 ASN 54 1.938 -16.992 -0.930 375 HD22 ASN 54 HD22 ASN 54 0.212 -17.188 -0.999 376 H PHE 55 H PHE 55 2.714 -10.692 -0.596 377 HA PHE 55 HA PHE 55 5.529 -11.197 -0.278 378 HB2 PHE 55 HB2 PHE 55 5.846 -8.899 -0.419 379 HB3 PHE 55 HB3 PHE 55 4.364 -9.104 -1.340 380 HD1 PHE 55 HD2 PHE 55 2.162 -8.597 -0.215 381 HD2 PHE 55 HD1 PHE 55 5.924 -7.503 1.453 382 HE1 PHE 55 HE2 PHE 55 1.047 -6.928 1.207 383 HE2 PHE 55 HE1 PHE 55 4.815 -5.832 2.874 384 HZ PHE 55 HZ PHE 55 2.374 -5.543 2.752 385 H THR 56 H THR 56 2.788 -10.714 1.767 386 HA THR 56 HA THR 56 4.122 -9.936 4.125 387 HB THR 56 HB THR 56 2.041 -10.657 5.277 388 HG1 THR 56 HG1 THR 56 1.173 -12.319 4.209 389 HG21 THR 56 HG21 THR 56 1.795 -8.995 2.776 390 HG22 THR 56 HG22 THR 56 2.097 -8.432 4.423 391 HG23 THR 56 HG23 THR 56 0.526 -9.108 3.992 392 H GLU 57 H GLU 57 3.704 -13.001 2.571 393 HA GLU 57 HA GLU 57 4.188 -14.575 4.905 394 HB2 GLU 57 HB2 GLU 57 4.036 -16.435 3.536 395 HB3 GLU 57 HB3 GLU 57 3.059 -15.262 2.663 396 HG2 GLU 57 HG2 GLU 57 4.752 -14.912 1.063 397 HG3 GLU 57 HG3 GLU 57 5.939 -15.779 2.038 398 H THR 58 H THR 58 6.135 -12.640 2.982 399 HA THR 58 HA THR 58 8.550 -13.963 4.013 400 HB THR 58 HB THR 58 9.743 -13.277 1.958 401 HG1 THR 58 HG1 THR 58 7.332 -12.834 0.616 402 HG21 THR 58 HG21 THR 58 8.794 -14.931 0.454 403 HG22 THR 58 HG22 THR 58 7.272 -14.902 1.348 404 HG23 THR 58 HG23 THR 58 8.732 -15.534 2.111 405 H ALA 59 H ALA 59 6.695 -11.590 4.642 406 HA ALA 59 HA ALA 59 8.841 -9.620 5.009 407 HB1 ALA 59 HB1 ALA 59 5.969 -8.987 4.340 408 HB2 ALA 59 HB2 ALA 59 7.243 -7.812 4.668 409 HB3 ALA 59 HB3 ALA 59 7.340 -8.844 3.240 410 H GLU 60 H GLU 60 8.652 -8.301 6.850 411 HA GLU 60 HA GLU 60 6.706 -9.054 8.893 412 HB2 GLU 60 HB2 GLU 60 9.161 -8.849 10.256 413 HB3 GLU 60 HB3 GLU 60 8.172 -10.287 10.053 414 HG2 GLU 60 HG2 GLU 60 9.361 -10.815 7.984 415 HG3 GLU 60 HG3 GLU 60 10.357 -9.375 8.182 416 H ASP 61 H ASP 61 7.085 -7.554 10.879 417 HA ASP 61 HA ASP 61 6.878 -5.375 11.616 418 HB2 ASP 61 HB2 ASP 61 9.404 -5.874 11.506 419 HB3 ASP 61 HB3 ASP 61 9.407 -4.885 10.063 420 H ILE 62 H ILE 62 5.169 -5.553 9.631 421 HA ILE 62 HA ILE 62 5.801 -3.699 7.509 422 HB ILE 62 HB ILE 62 3.093 -4.922 8.001 423 HG12 ILE 62 HG13 ILE 62 5.601 -6.171 6.876 424 HG13 ILE 62 3HG1 ILE 62 4.550 -6.797 8.136 425 HG21 ILE 62 HG21 ILE 62 3.009 -4.832 5.524 426 HG22 ILE 62 HG22 ILE 62 3.192 -3.244 6.270 427 HG23 ILE 62 HG23 ILE 62 4.583 -4.036 5.531 428 HD11 ILE 62 HD11 ILE 62 4.302 -8.062 6.099 429 HD12 ILE 62 HD12 ILE 62 2.807 -7.199 6.466 430 HD13 ILE 62 HD13 ILE 62 3.891 -6.594 5.211 431 H ARG 63 H ARG 63 5.828 -1.633 8.001 432 HA ARG 63 HA ARG 63 3.654 -0.490 9.602 433 HB2 ARG 63 HB2 ARG 63 6.539 0.262 9.260 434 HB3 ARG 63 HB3 ARG 63 5.360 1.445 9.803 435 HG2 ARG 63 HG2 ARG 63 6.329 0.595 11.728 436 HG3 ARG 63 HG3 ARG 63 4.755 -0.179 11.607 437 HD2 ARG 63 HD2 ARG 63 6.356 -1.937 10.285 438 HD3 ARG 63 HD3 ARG 63 7.433 -1.339 11.547 439 HE ARG 63 HE ARG 63 5.028 -2.926 11.892 440 HH11 ARG 63 HH12 ARG 63 7.501 -0.979 13.433 441 HH12 ARG 63 HH11 ARG 63 7.212 -1.647 15.016 442 HH21 ARG 63 HH22 ARG 63 4.630 -3.769 13.970 443 HH22 ARG 63 HH21 ARG 63 5.578 -3.221 15.314 444 H PHE 64 H PHE 64 2.210 0.609 8.475 445 HA PHE 64 HA PHE 64 2.917 1.606 5.828 446 HB2 PHE 64 HB2 PHE 64 0.878 0.358 5.900 447 HB3 PHE 64 HB3 PHE 64 0.288 1.285 7.271 448 HD1 PHE 64 HD1 PHE 64 1.860 2.605 4.175 449 HD2 PHE 64 HD2 PHE 64 -1.703 2.138 6.449 450 HE1 PHE 64 HE1 PHE 64 0.694 4.156 2.664 451 HE2 PHE 64 HE2 PHE 64 -2.870 3.677 4.939 452 HZ PHE 64 HZ PHE 64 -1.675 4.686 3.041 453 H HIS 65 H HIS 65 3.297 3.646 5.384 454 HA HIS 65 HA HIS 65 2.453 5.690 7.335 455 HB2 HIS 65 HB2 HIS 65 5.089 5.153 6.229 456 HB3 HIS 65 HB3 HIS 65 4.570 6.806 5.899 457 HD1 HIS 65 HD1 HIS 65 6.482 7.572 7.589 458 HD2 HIS 65 HD2 HIS 65 3.353 5.385 9.266 459 HE1 HIS 65 HE1 HIS 65 6.639 7.941 10.073 460 HE2 HIS 65 HE2 HIS 65 4.699 6.669 11.062 461 HA PRO 66 HA PRO 66 0.045 6.499 3.500 462 HB2 PRO 66 HB2 PRO 66 -1.695 8.116 4.930 463 HB3 PRO 66 HB3 PRO 66 -1.915 6.400 4.623 464 HG2 PRO 66 HG2 PRO 66 -0.893 7.767 7.053 465 HG3 PRO 66 HG3 PRO 66 -1.912 6.322 6.922 466 HD2 PRO 66 HD2 PRO 66 0.707 6.170 7.507 467 HD3 PRO 66 HD3 PRO 66 -0.106 4.931 6.526 468 H LYS 67 H LYS 67 1.034 8.626 5.998 469 HA LYS 67 HA LYS 67 1.695 10.687 4.015 470 HB2 LYS 67 HB2 LYS 67 1.153 12.314 6.039 471 HB3 LYS 67 HB3 LYS 67 -0.086 11.817 4.898 472 HG2 LYS 67 HG2 LYS 67 0.282 10.145 7.318 473 HG3 LYS 67 HG3 LYS 67 -0.450 11.738 7.525 474 HD2 LYS 67 HD2 LYS 67 -1.402 9.628 5.587 475 HD3 LYS 67 HD3 LYS 67 -2.113 9.939 7.171 476 HE2 LYS 67 HE2 LYS 67 -1.895 12.005 4.988 477 HE3 LYS 67 HE3 LYS 67 -3.320 11.001 5.253 478 HZ1 LYS 67 HZ1 LYS 67 -3.520 11.931 7.469 479 HZ2 LYS 67 HZ2 LYS 67 -3.549 13.159 6.306 480 HZ3 LYS 67 HZ3 LYS 67 -2.147 12.899 7.223 481 H GLU 68 H GLU 68 3.801 9.908 4.071 482 HA GLU 68 HA GLU 68 5.279 9.611 6.446 483 HB2 GLU 68 HB2 GLU 68 6.084 8.540 4.462 484 HB3 GLU 68 HB3 GLU 68 6.214 10.085 3.622 485 HG2 GLU 68 HG2 GLU 68 8.343 10.115 4.294 486 HG3 GLU 68 HG3 GLU 68 7.702 10.489 5.884 487 H GLY 69 H GLY 69 5.997 11.035 7.782 488 HA2 GLY 69 HA3 GLY 69 6.519 13.063 8.721 489 HA3 GLY 69 HA2 GLY 69 7.702 13.051 7.424 490 H ALA 70 H ALA 70 7.817 15.083 6.848 491 HA ALA 70 HA ALA 70 5.476 16.751 6.581 492 HB1 ALA 70 HB1 ALA 70 7.571 17.677 7.459 493 HB2 ALA 70 HB2 ALA 70 8.368 17.319 5.927 494 HB3 ALA 70 HB3 ALA 70 7.065 18.507 5.987 495 H ALA 71 H ALA 71 7.071 14.491 4.703 496 HA ALA 71 HA ALA 71 6.784 15.754 2.153 497 HB1 ALA 71 HB1 ALA 71 7.324 13.543 1.242 498 HB2 ALA 71 HB2 ALA 71 8.455 14.014 2.512 499 HB3 ALA 71 HB3 ALA 71 7.182 12.845 2.858 500 H GLU 72 H GLU 72 4.771 13.910 4.270 501 HA GLU 72 HA GLU 72 2.649 13.116 4.146 502 HB2 GLU 72 HB2 GLU 72 2.501 15.442 2.232 503 HB3 GLU 72 HB3 GLU 72 1.089 14.483 2.652 504 HG2 GLU 72 HG2 GLU 72 2.793 15.773 4.745 505 HG3 GLU 72 HG3 GLU 72 1.491 16.644 3.935 506 H GLN 73 H GLN 73 4.440 11.620 2.742 507 HA GLN 73 HA GLN 73 2.976 10.927 0.288 508 HB2 GLN 73 HB2 GLN 73 5.908 10.629 0.934 509 HB3 GLN 73 HB3 GLN 73 5.141 9.841 -0.438 510 HG2 GLN 73 HG2 GLN 73 4.461 12.055 -1.287 511 HG3 GLN 73 HG3 GLN 73 5.339 12.803 0.047 512 HE21 GLN 73 HE21 GLN 73 6.698 13.891 -1.362 513 HE22 GLN 73 HE22 GLN 73 7.954 13.090 -2.243 514 HA PRO 74 HA PRO 74 2.073 7.143 2.367 515 HB2 PRO 74 HB2 PRO 74 0.837 5.901 0.322 516 HB3 PRO 74 HB3 PRO 74 0.081 7.229 1.209 517 HG2 PRO 74 HG2 PRO 74 1.472 7.274 -1.439 518 HG3 PRO 74 HG3 PRO 74 -0.020 8.094 -0.945 519 HD2 PRO 74 HD2 PRO 74 2.418 9.333 -1.061 520 HD3 PRO 74 HD3 PRO 74 1.121 9.832 0.042 521 H ILE 75 H ILE 75 3.828 5.980 2.779 522 HA ILE 75 HA ILE 75 4.850 4.289 0.621 523 HB ILE 75 HB ILE 75 7.107 4.653 1.046 524 HG12 ILE 75 HG13 ILE 75 7.575 6.377 3.106 525 HG13 ILE 75 3HG1 ILE 75 6.215 5.450 3.734 526 HG21 ILE 75 HG21 ILE 75 6.187 6.547 -0.112 527 HG22 ILE 75 HG22 ILE 75 5.786 7.331 1.418 528 HG23 ILE 75 HG23 ILE 75 7.475 7.089 0.967 529 HD11 ILE 75 HD11 ILE 75 8.280 4.437 4.430 530 HD12 ILE 75 HD12 ILE 75 7.467 3.375 3.279 531 HD13 ILE 75 HD13 ILE 75 8.842 4.352 2.761 532 H LEU 76 H LEU 76 5.343 2.237 1.238 533 HA LEU 76 HA LEU 76 4.657 1.543 4.018 534 HB2 LEU 76 HB2 LEU 76 3.079 0.739 2.320 535 HB3 LEU 76 HB3 LEU 76 4.380 -0.064 1.472 536 HG LEU 76 HG LEU 76 2.729 -1.393 3.017 537 HD11 LEU 76 HD11 LEU 76 4.583 -2.373 1.775 538 HD12 LEU 76 HD12 LEU 76 5.704 -1.866 3.038 539 HD13 LEU 76 HD13 LEU 76 4.465 -3.070 3.391 540 HD21 LEU 76 HD21 LEU 76 3.154 -0.016 5.001 541 HD22 LEU 76 HD22 LEU 76 3.542 -1.716 5.256 542 HD23 LEU 76 HD23 LEU 76 4.836 -0.551 4.986 543 H ARG 77 H ARG 77 6.263 0.750 5.245 544 HA ARG 77 HA ARG 77 8.525 -0.492 3.839 545 HB2 ARG 77 HB2 ARG 77 10.096 0.509 5.204 546 HB3 ARG 77 HB3 ARG 77 8.927 1.796 4.988 547 HG2 ARG 77 HG2 ARG 77 8.888 -0.006 7.386 548 HG3 ARG 77 HG3 ARG 77 9.881 1.441 7.308 549 HD2 ARG 77 HD2 ARG 77 6.885 1.252 7.203 550 HD3 ARG 77 HD3 ARG 77 7.884 2.022 8.434 551 HE ARG 77 HE ARG 77 7.432 3.049 5.714 552 HH11 ARG 77 HH12 ARG 77 8.499 3.527 9.018 553 HH12 ARG 77 HH11 ARG 77 8.690 5.254 8.840 554 HH21 ARG 77 HH22 ARG 77 7.673 5.310 5.485 555 HH22 ARG 77 HH21 ARG 77 8.196 6.270 6.831 556 H ALA 78 H ALA 78 9.317 -2.357 4.595 557 HA ALA 78 HA ALA 78 8.509 -3.484 7.129 558 HB1 ALA 78 HB1 ALA 78 7.410 -5.449 6.201 559 HB2 ALA 78 HB2 ALA 78 6.556 -3.984 5.719 560 HB3 ALA 78 HB3 ALA 78 7.608 -4.810 4.569 561 H ARG 79 H ARG 79 9.493 -5.724 7.395 562 HA ARG 79 HA ARG 79 12.175 -5.688 6.274 563 HB2 ARG 79 HB2 ARG 79 11.187 -7.916 8.024 564 HB3 ARG 79 HB3 ARG 79 12.798 -7.234 7.910 565 HG2 ARG 79 HG2 ARG 79 10.416 -6.140 9.368 566 HG3 ARG 79 HG3 ARG 79 11.962 -6.664 10.032 567 HD2 ARG 79 HD2 ARG 79 13.030 -4.789 8.740 568 HD3 ARG 79 HD3 ARG 79 11.397 -4.236 8.364 569 HE ARG 79 HE ARG 79 11.053 -3.876 10.740 570 HH11 ARG 79 HH12 ARG 79 14.356 -4.283 9.664 571 HH12 ARG 79 HH11 ARG 79 15.044 -3.458 11.026 572 HH21 ARG 79 HH22 ARG 79 11.937 -2.758 12.525 573 HH22 ARG 79 HH21 ARG 79 13.663 -2.549 12.636 574 H LEU 80 H LEU 80 12.524 -6.634 4.390 575 HA LEU 80 HA LEU 80 10.726 -8.753 3.489 576 HB2 LEU 80 HB2 LEU 80 12.453 -6.732 2.165 577 HB3 LEU 80 HB3 LEU 80 12.206 -8.250 1.327 578 HG LEU 80 HG LEU 80 9.929 -7.871 1.042 579 HD11 LEU 80 HD11 LEU 80 9.345 -7.304 3.303 580 HD12 LEU 80 HD12 LEU 80 10.073 -5.706 3.108 581 HD13 LEU 80 HD13 LEU 80 8.641 -6.147 2.173 582 HD21 LEU 80 HD21 LEU 80 9.727 -5.606 0.110 583 HD22 LEU 80 HD22 LEU 80 11.286 -5.208 0.835 584 HD23 LEU 80 HD23 LEU 80 11.184 -6.454 -0.412 585 H ARG 81 H ARG 81 11.318 -10.787 3.415 586 HA ARG 81 HA ARG 81 14.005 -11.530 4.182 587 HB2 ARG 81 HB2 ARG 81 12.168 -12.701 5.209 588 HB3 ARG 81 HB3 ARG 81 11.506 -13.138 3.643 589 HG2 ARG 81 HG2 ARG 81 14.249 -14.058 4.124 590 HG3 ARG 81 HG3 ARG 81 13.030 -14.759 5.183 591 HD2 ARG 81 HD2 ARG 81 11.698 -15.257 3.083 592 HD3 ARG 81 HD3 ARG 81 13.154 -14.810 2.182 593 HE ARG 81 HE ARG 81 14.081 -16.811 2.718 594 HH11 ARG 81 HH12 ARG 81 11.398 -16.238 4.890 595 HH12 ARG 81 HH11 ARG 81 11.464 -17.821 5.601 596 HH21 ARG 81 HH22 ARG 81 14.156 -18.927 3.629 597 HH22 ARG 81 HH21 ARG 81 13.030 -19.348 4.892 598 H ASP 82 H ASP 82 15.487 -12.603 2.961 599 HA ASP 82 HA ASP 82 15.000 -12.582 0.065 600 HB2 ASP 82 HB2 ASP 82 17.295 -12.358 -0.272 601 HB3 ASP 82 HB3 ASP 82 17.016 -11.393 1.175 602 H CYS 83 H CYS 83 16.351 -14.403 -1.106 603 HA CYS 83 HA CYS 83 15.128 -16.830 -0.482 604 HB2 CYS 83 HB2 CYS 83 16.830 -17.826 -2.056 605 HB3 CYS 83 HB3 CYS 83 15.917 -16.466 -2.695 606 HG CYS 83 HG CYS 83 17.917 -14.641 -2.595 607 H ASN 84 H ASN 84 18.111 -15.475 0.683 608 HA ASN 84 HA ASN 84 19.264 -17.904 1.628 609 HB2 ASN 84 HB2 ASN 84 20.567 -15.842 1.211 610 HB3 ASN 84 HB3 ASN 84 19.762 -15.075 2.573 611 HD21 ASN 84 HD21 ASN 84 21.691 -14.706 3.587 612 HD22 ASN 84 HD22 ASN 84 22.605 -15.973 4.355 613 H GLY 85 H GLY 85 16.948 -15.644 2.929 614 HA2 GLY 85 HA3 GLY 85 15.350 -16.494 4.531 615 HA3 GLY 85 HA2 GLY 85 16.632 -17.471 5.222 616 H GLU 86 H GLU 86 16.932 -14.061 4.370 617 HA GLU 86 HA GLU 86 17.204 -13.504 7.261 618 HB2 GLU 86 HB2 GLU 86 18.853 -11.867 6.809 619 HB3 GLU 86 HB3 GLU 86 19.292 -13.258 5.837 620 HG2 GLU 86 HG2 GLU 86 18.596 -12.219 3.845 621 HG3 GLU 86 HG3 GLU 86 17.738 -10.950 4.718 622 H PHE 87 H PHE 87 17.168 -10.680 7.031 623 HA PHE 87 HA PHE 87 14.704 -10.036 5.633 624 HB2 PHE 87 HB2 PHE 87 13.560 -9.151 7.599 625 HB3 PHE 87 HB3 PHE 87 13.901 -10.861 7.818 626 HD1 PHE 87 HD2 PHE 87 15.816 -11.534 9.306 627 HD2 PHE 87 HD1 PHE 87 14.346 -7.545 9.107 628 HE1 PHE 87 HE2 PHE 87 16.895 -11.034 11.459 629 HE2 PHE 87 HE1 PHE 87 15.418 -7.040 11.262 630 HZ PHE 87 HZ PHE 87 16.694 -8.784 12.439 631 H HIS 88 H HIS 88 14.667 -8.095 4.882 632 HA HIS 88 HA HIS 88 16.542 -6.107 5.955 633 HB2 HIS 88 HB2 HIS 88 16.566 -7.377 3.335 634 HB3 HIS 88 HB3 HIS 88 16.471 -5.631 3.230 635 HD1 HIS 88 HD1 HIS 88 18.427 -4.335 4.665 636 HD2 HIS 88 HD2 HIS 88 19.060 -8.342 3.730 637 HE1 HIS 88 HE1 HIS 88 20.902 -4.714 4.928 638 HE2 HIS 88 HE2 HIS 88 21.277 -7.120 4.270 639 H ASP 89 H ASP 89 15.475 -4.333 6.471 640 HA ASP 89 HA ASP 89 12.742 -3.963 5.848 641 HB2 ASP 89 HB2 ASP 89 13.043 -1.734 6.940 642 HB3 ASP 89 HB3 ASP 89 13.604 -3.087 7.915 643 H ARG 90 H ARG 90 12.000 -3.473 3.898 644 HA ARG 90 HA ARG 90 13.480 -1.440 2.350 645 HB2 ARG 90 HB2 ARG 90 11.612 -3.597 1.346 646 HB3 ARG 90 HB3 ARG 90 12.423 -2.403 0.343 647 HG2 ARG 90 HG2 ARG 90 13.741 -4.559 1.976 648 HG3 ARG 90 HG3 ARG 90 13.564 -4.527 0.220 649 HD2 ARG 90 HD2 ARG 90 14.924 -2.474 0.148 650 HD3 ARG 90 HD3 ARG 90 15.142 -2.578 1.895 651 HE ARG 90 HE ARG 90 15.951 -4.930 0.422 652 HH11 ARG 90 HH12 ARG 90 16.936 -1.843 1.750 653 HH12 ARG 90 HH11 ARG 90 18.628 -2.259 1.787 654 HH21 ARG 90 HH22 ARG 90 18.160 -5.488 0.477 655 HH22 ARG 90 HH21 ARG 90 19.325 -4.334 1.068 656 H ASP 91 H ASP 91 11.869 -0.260 0.790 657 HA ASP 91 HA ASP 91 9.311 0.204 2.089 658 HB2 ASP 91 HB2 ASP 91 9.612 2.633 2.104 659 HB3 ASP 91 HB3 ASP 91 10.818 1.853 3.115 660 H VAL 92 H VAL 92 7.767 1.041 0.718 661 HA VAL 92 HA VAL 92 8.585 1.317 -2.087 662 HB VAL 92 HB VAL 92 7.712 -0.957 -1.678 663 HG11 VAL 92 HG11 VAL 92 5.108 0.424 -1.074 664 HG12 VAL 92 HG12 VAL 92 5.347 -1.315 -1.241 665 HG13 VAL 92 HG13 VAL 92 6.112 -0.444 0.089 666 HG21 VAL 92 HG21 VAL 92 6.056 0.775 -3.484 667 HG22 VAL 92 HG22 VAL 92 7.586 -0.013 -3.872 668 HG23 VAL 92 HG23 VAL 92 6.149 -0.985 -3.562 669 H ASN 93 H ASN 93 7.316 2.619 -3.347 670 HA ASN 93 HA ASN 93 5.929 4.699 -1.889 671 HB2 ASN 93 HB2 ASN 93 6.761 4.356 -4.764 672 HB3 ASN 93 HB3 ASN 93 5.733 5.686 -4.252 673 HD21 ASN 93 HD21 ASN 93 8.901 4.300 -4.133 674 HD22 ASN 93 HD22 ASN 93 9.701 5.676 -3.451 675 H LEU 94 H LEU 94 3.858 4.434 -1.385 676 HA LEU 94 HA LEU 94 2.198 2.612 -2.875 677 HB2 LEU 94 HB2 LEU 94 1.556 4.396 -0.532 678 HB3 LEU 94 HB3 LEU 94 0.441 3.241 -1.236 679 HG LEU 94 HG LEU 94 2.841 2.769 0.473 680 HD11 LEU 94 HD11 LEU 94 0.617 2.790 1.449 681 HD12 LEU 94 HD12 LEU 94 0.099 1.535 0.321 682 HD13 LEU 94 HD13 LEU 94 1.329 1.180 1.534 683 HD21 LEU 94 HD21 LEU 94 1.714 0.723 -1.435 684 HD22 LEU 94 HD22 LEU 94 3.305 1.472 -1.558 685 HD23 LEU 94 HD23 LEU 94 2.925 0.428 -0.188 686 H ASN 95 H ASN 95 3.140 5.624 -3.562 687 HA ASN 95 HA ASN 95 0.773 6.996 -4.219 688 HB2 ASN 95 HB2 ASN 95 3.398 7.199 -5.711 689 HB3 ASN 95 HB3 ASN 95 2.117 8.404 -5.657 690 HD21 ASN 95 HD21 ASN 95 4.910 7.190 -4.206 691 HD22 ASN 95 HD22 ASN 95 4.959 8.236 -2.844 692 H ARG 96 H ARG 96 2.235 4.251 -5.562 693 HA ARG 96 HA ARG 96 1.435 4.406 -8.250 694 HB2 ARG 96 HB2 ARG 96 2.048 2.156 -6.366 695 HB3 ARG 96 HB3 ARG 96 1.405 1.808 -7.961 696 HG2 ARG 96 HG2 ARG 96 3.859 1.648 -7.817 697 HG3 ARG 96 HG3 ARG 96 3.295 2.805 -9.019 698 HD2 ARG 96 HD2 ARG 96 3.818 3.938 -6.343 699 HD3 ARG 96 HD3 ARG 96 5.229 3.304 -7.189 700 HE ARG 96 HE ARG 96 3.479 5.457 -8.156 701 HH11 ARG 96 HH12 ARG 96 6.461 3.631 -8.334 702 HH12 ARG 96 HH11 ARG 96 7.251 4.773 -9.385 703 HH21 ARG 96 HH22 ARG 96 4.492 6.953 -9.540 704 HH22 ARG 96 HH21 ARG 96 6.119 6.662 -10.088 705 H ILE 97 H ILE 97 -0.236 3.679 -5.315 706 HA ILE 97 HA ILE 97 -2.508 2.420 -6.522 707 HB ILE 97 HB ILE 97 -2.209 3.599 -3.759 708 HG12 ILE 97 HG13 ILE 97 -2.014 0.676 -4.360 709 HG13 ILE 97 3HG1 ILE 97 -0.614 1.694 -4.685 710 HG21 ILE 97 HG21 ILE 97 -4.537 3.226 -4.427 711 HG22 ILE 97 HG22 ILE 97 -4.152 1.553 -4.831 712 HG23 ILE 97 HG23 ILE 97 -4.043 2.104 -3.160 713 HD11 ILE 97 HD11 ILE 97 -0.549 2.397 -2.385 714 HD12 ILE 97 HD12 ILE 97 -2.009 1.465 -2.036 715 HD13 ILE 97 HD13 ILE 97 -0.521 0.634 -2.488 716 H GLN 98 H GLN 98 -4.129 3.371 -7.464 717 HA GLN 98 HA GLN 98 -4.655 6.215 -6.944 718 HB2 GLN 98 HB2 GLN 98 -5.023 4.577 -9.458 719 HB3 GLN 98 HB3 GLN 98 -5.638 6.210 -9.252 720 HG2 GLN 98 HG2 GLN 98 -3.413 7.083 -9.031 721 HG3 GLN 98 HG3 GLN 98 -2.734 5.455 -9.047 722 HE21 GLN 98 HE21 GLN 98 -2.602 4.340 -10.976 723 HE22 GLN 98 HE22 GLN 98 -2.817 5.102 -12.512 724 H ASN 99 H ASN 99 -6.960 6.805 -7.300 725 HA ASN 99 HA ASN 99 -8.706 4.654 -6.316 726 HB2 ASN 99 HB2 ASN 99 -8.565 6.362 -4.656 727 HB3 ASN 99 HB3 ASN 99 -8.763 7.637 -5.856 728 HD21 ASN 99 HD21 ASN 99 -10.795 8.111 -6.636 729 HD22 ASN 99 HD22 ASN 99 -12.233 7.529 -5.877 730 H VAL 100 H VAL 100 -10.106 3.926 -7.746 731 HA VAL 100 HA VAL 100 -10.924 5.726 -9.925 732 HB VAL 100 HB VAL 100 -10.998 2.701 -9.917 733 HG11 VAL 100 HG11 VAL 100 -11.451 4.686 -12.145 734 HG12 VAL 100 HG12 VAL 100 -11.479 2.928 -12.298 735 HG13 VAL 100 HG13 VAL 100 -12.705 3.750 -11.329 736 HG21 VAL 100 HG21 VAL 100 -8.702 3.501 -9.923 737 HG22 VAL 100 HG22 VAL 100 -9.126 2.846 -11.505 738 HG23 VAL 100 HG23 VAL 100 -9.067 4.591 -11.259 739 H ASN 101 H ASN 101 -12.642 6.697 -8.987 740 HA ASN 101 HA ASN 101 -14.775 7.021 -8.339 741 HB2 ASN 101 HB2 ASN 101 -15.121 5.684 -10.469 742 HB3 ASN 101 HB3 ASN 101 -15.385 4.281 -9.435 743 HD21 ASN 101 HD21 ASN 101 -17.525 4.050 -10.115 744 HD22 ASN 101 HD22 ASN 101 -18.770 5.149 -9.613 745 H GLY 102 H GLY 102 -12.887 5.526 -6.536 746 HA2 GLY 102 HA3 GLY 102 -13.525 5.365 -4.186 747 HA3 GLY 102 HA2 GLY 102 -14.997 4.568 -4.706 748 H ARG 103 H ARG 103 -12.138 3.583 -6.332 749 HA ARG 103 HA ARG 103 -11.872 1.308 -4.503 750 HB2 ARG 103 HB2 ARG 103 -11.854 -0.271 -6.265 751 HB3 ARG 103 HB3 ARG 103 -13.241 0.766 -6.553 752 HG2 ARG 103 HG2 ARG 103 -11.798 2.047 -8.176 753 HG3 ARG 103 HG3 ARG 103 -10.620 0.742 -8.017 754 HD2 ARG 103 HD2 ARG 103 -12.016 0.349 -9.952 755 HD3 ARG 103 HD3 ARG 103 -12.354 -0.867 -8.719 756 HE ARG 103 HE ARG 103 -14.114 1.374 -8.530 757 HH11 ARG 103 HH12 ARG 103 -13.558 -1.630 -10.256 758 HH12 ARG 103 HH11 ARG 103 -15.231 -1.816 -10.709 759 HH21 ARG 103 HH22 ARG 103 -16.293 1.114 -9.089 760 HH22 ARG 103 HH21 ARG 103 -16.794 -0.259 -10.038 761 H LEU 104 H LEU 104 -9.849 0.675 -4.059 762 HA LEU 104 HA LEU 104 -7.692 2.356 -5.003 763 HB2 LEU 104 HB2 LEU 104 -7.752 0.096 -2.996 764 HB3 LEU 104 HB3 LEU 104 -6.331 1.059 -3.363 765 HG LEU 104 HG LEU 104 -8.890 2.022 -2.088 766 HD11 LEU 104 HD11 LEU 104 -7.443 0.754 -0.598 767 HD12 LEU 104 HD12 LEU 104 -6.077 1.787 -1.029 768 HD13 LEU 104 HD13 LEU 104 -7.456 2.464 -0.160 769 HD21 LEU 104 HD21 LEU 104 -7.777 4.188 -1.891 770 HD22 LEU 104 HD22 LEU 104 -6.417 3.577 -2.831 771 HD23 LEU 104 HD23 LEU 104 -8.008 3.731 -3.577 772 H VAL 105 H VAL 105 -6.368 1.874 -6.601 773 HA VAL 105 HA VAL 105 -5.973 -0.943 -7.329 774 HB VAL 105 HB VAL 105 -7.603 -0.042 -8.911 775 HG11 VAL 105 HG11 VAL 105 -7.004 1.776 -10.452 776 HG12 VAL 105 HG12 VAL 105 -7.079 2.315 -8.773 777 HG13 VAL 105 HG13 VAL 105 -5.516 2.037 -9.541 778 HG21 VAL 105 HG21 VAL 105 -6.024 -1.685 -9.739 779 HG22 VAL 105 HG22 VAL 105 -6.411 -0.518 -11.004 780 HG23 VAL 105 HG23 VAL 105 -4.876 -0.409 -10.143 781 H PHE 106 H PHE 106 -3.901 -1.477 -7.696 782 HA PHE 106 HA PHE 106 -1.882 0.554 -7.271 783 HB2 PHE 106 HB2 PHE 106 -0.359 -1.216 -6.928 784 HB3 PHE 106 HB3 PHE 106 -1.873 -1.807 -6.250 785 HD1 PHE 106 HD1 PHE 106 -3.370 -3.176 -7.959 786 HD2 PHE 106 HD2 PHE 106 0.831 -2.594 -8.319 787 HE1 PHE 106 HE1 PHE 106 -3.219 -5.164 -9.400 788 HE2 PHE 106 HE2 PHE 106 0.987 -4.579 -9.761 789 HZ PHE 106 HZ PHE 106 -1.040 -5.865 -10.304 790 H GLN 107 H GLN 107 -0.291 1.148 -8.738 791 HA GLN 107 HA GLN 107 -0.932 0.606 -11.532 792 HB2 GLN 107 HB2 GLN 107 -0.678 2.964 -10.720 793 HB3 GLN 107 HB3 GLN 107 1.009 2.620 -10.377 794 HG2 GLN 107 HG2 GLN 107 0.109 2.050 -13.123 795 HG3 GLN 107 HG3 GLN 107 0.131 3.746 -12.648 796 HE21 GLN 107 HE21 GLN 107 2.031 0.955 -13.381 797 HE22 GLN 107 HE22 GLN 107 3.570 1.751 -13.362
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