NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
570299 | 2mch | 19439 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 3.594 42.111 -0.321 2 H2 MET 1 H2 MET 1 4.803 42.542 -1.335 3 H3 MET 1 H3 MET 1 5.147 41.764 0.057 4 HA MET 1 HA MET 1 5.342 40.241 -1.803 5 HB2 MET 1 HB2 MET 1 4.617 39.397 0.438 6 HB3 MET 1 HB3 MET 1 2.931 39.578 -0.048 7 HG2 MET 1 HG2 MET 1 3.360 37.970 -1.935 8 HG3 MET 1 HG3 MET 1 5.001 37.744 -1.331 9 HE1 MET 1 HE1 MET 1 4.644 37.548 1.883 10 HE2 MET 1 HE2 MET 1 4.441 35.792 2.023 11 HE3 MET 1 HE3 MET 1 5.627 36.455 0.877 12 H ARG 2 H ARG 2 4.813 40.076 -3.920 13 HA ARG 2 HA ARG 2 1.991 40.129 -4.806 14 HB2 ARG 2 HB2 ARG 2 2.794 42.497 -4.790 15 HB3 ARG 2 HB3 ARG 2 4.066 42.085 -5.925 16 HG2 ARG 2 HG2 ARG 2 1.147 41.547 -6.601 17 HG3 ARG 2 HG3 ARG 2 1.794 43.180 -6.691 18 HD2 ARG 2 HD2 ARG 2 3.538 42.434 -8.297 19 HD3 ARG 2 HD3 ARG 2 2.871 40.810 -8.266 20 HE ARG 2 HE ARG 2 0.980 41.489 -9.464 21 HH11 ARG 2 HH11 ARG 2 2.973 44.322 -8.874 22 HH12 ARG 2 HH12 ARG 2 2.107 45.278 -10.046 23 HH21 ARG 2 HH21 ARG 2 -0.074 42.767 -10.931 24 HH22 ARG 2 HH22 ARG 2 0.428 44.415 -11.175 25 H GLY 3 H GLY 3 1.621 38.806 -6.486 26 HA2 GLY 3 HA2 GLY 3 3.154 38.283 -8.728 27 HA3 GLY 3 HA3 GLY 3 3.682 37.059 -7.571 28 H SER 4 H SER 4 1.989 37.082 -10.162 29 HA SER 4 HA SER 4 -0.165 35.245 -9.217 30 HB2 SER 4 HB2 SER 4 -0.575 37.583 -11.122 31 HB3 SER 4 HB3 SER 4 -1.758 36.305 -10.789 32 HG SER 4 HG SER 4 -2.123 38.188 -9.506 33 H HIS 5 H HIS 5 0.166 33.382 -10.190 34 HA HIS 5 HA HIS 5 1.594 33.160 -12.722 35 HB2 HIS 5 HB2 HIS 5 0.458 30.999 -10.914 36 HB3 HIS 5 HB3 HIS 5 1.644 30.787 -12.193 37 HD2 HIS 5 HD2 HIS 5 4.162 31.096 -11.560 38 HE1 HIS 5 HE1 HIS 5 3.703 32.811 -7.678 39 HE2 HIS 5 HE2 HIS 5 5.383 31.901 -9.367 40 H HIS 6 H HIS 6 -1.760 32.988 -11.821 41 HA HIS 6 HA HIS 6 -3.686 32.399 -12.916 42 HB2 HIS 6 HB2 HIS 6 -2.936 34.642 -13.698 43 HB3 HIS 6 HB3 HIS 6 -2.274 33.887 -15.146 44 HD2 HIS 6 HD2 HIS 6 -3.900 34.479 -17.077 45 HE1 HIS 6 HE1 HIS 6 -7.650 33.811 -15.152 46 HE2 HIS 6 HE2 HIS 6 -6.524 34.445 -17.348 47 H HIS 7 H HIS 7 -2.576 30.054 -12.827 48 HA HIS 7 HA HIS 7 -1.893 28.872 -15.345 49 HB2 HIS 7 HB2 HIS 7 -1.207 28.051 -13.083 50 HB3 HIS 7 HB3 HIS 7 -2.833 27.407 -12.865 51 HD2 HIS 7 HD2 HIS 7 0.373 26.114 -13.592 52 HE1 HIS 7 HE1 HIS 7 -1.980 23.914 -16.381 53 HE2 HIS 7 HE2 HIS 7 0.271 24.036 -15.206 54 H HIS 8 H HIS 8 -3.046 28.138 -16.957 55 HA HIS 8 HA HIS 8 -5.871 28.759 -17.017 56 HB2 HIS 8 HB2 HIS 8 -5.617 28.465 -19.427 57 HB3 HIS 8 HB3 HIS 8 -4.329 29.466 -18.772 58 HD2 HIS 8 HD2 HIS 8 -1.851 28.681 -19.182 59 HE1 HIS 8 HE1 HIS 8 -2.620 24.843 -20.880 60 HE2 HIS 8 HE2 HIS 8 -0.814 26.561 -20.354 61 H HIS 9 H HIS 9 -4.321 25.743 -16.389 62 HA HIS 9 HA HIS 9 -6.439 24.144 -17.673 63 HB2 HIS 9 HB2 HIS 9 -4.045 23.412 -17.505 64 HB3 HIS 9 HB3 HIS 9 -4.303 23.150 -15.776 65 HD2 HIS 9 HD2 HIS 9 -3.581 20.806 -17.878 66 HE1 HIS 9 HE1 HIS 9 -7.603 19.493 -17.342 67 HE2 HIS 9 HE2 HIS 9 -5.288 18.818 -18.162 68 H HIS 10 H HIS 10 -8.408 24.289 -16.816 69 HA HIS 10 HA HIS 10 -8.737 24.526 -13.869 70 HB2 HIS 10 HB2 HIS 10 -10.716 25.077 -16.085 71 HB3 HIS 10 HB3 HIS 10 -10.919 25.435 -14.372 72 HD2 HIS 10 HD2 HIS 10 -10.782 27.512 -17.019 73 HE1 HIS 10 HE1 HIS 10 -7.571 29.221 -14.791 74 HE2 HIS 10 HE2 HIS 10 -9.236 29.617 -16.678 75 H GLY 11 H GLY 11 -9.180 22.139 -16.305 76 HA2 GLY 11 HA2 GLY 11 -10.062 20.009 -16.273 77 HA3 GLY 11 HA3 GLY 11 -9.573 20.069 -14.585 78 H SER 12 H SER 12 -11.123 18.828 -13.755 79 HA SER 12 HA SER 12 -13.685 20.109 -13.174 80 HB2 SER 12 HB2 SER 12 -14.402 18.878 -15.117 81 HB3 SER 12 HB3 SER 12 -13.611 17.399 -14.554 82 HG SER 12 HG SER 12 -15.922 17.493 -14.129 83 H GLY 58 H GLY 58 -12.085 16.880 -12.860 84 HA2 GLY 58 HA2 GLY 58 -11.089 15.894 -11.048 85 HA3 GLY 58 HA3 GLY 58 -11.303 17.388 -10.139 86 H ALA 59 H ALA 59 -14.369 16.415 -11.164 87 HA ALA 59 HA ALA 59 -15.105 15.768 -8.449 88 HB1 ALA 59 HB1 ALA 59 -16.753 15.895 -11.009 89 HB2 ALA 59 HB2 ALA 59 -17.385 15.910 -9.347 90 HB3 ALA 59 HB3 ALA 59 -16.393 17.261 -9.926 91 H LEU 60 H LEU 60 -14.206 13.702 -11.042 92 HA LEU 60 HA LEU 60 -16.069 11.578 -10.533 93 HB2 LEU 60 HB2 LEU 60 -14.949 10.371 -12.234 94 HB3 LEU 60 HB3 LEU 60 -15.263 12.036 -12.677 95 HG LEU 60 HG LEU 60 -12.800 12.537 -12.230 96 HD11 LEU 60 HD11 LEU 60 -12.648 9.488 -12.147 97 HD12 LEU 60 HD12 LEU 60 -11.265 10.545 -12.490 98 HD13 LEU 60 HD13 LEU 60 -12.044 10.622 -10.916 99 HD21 LEU 60 HD21 LEU 60 -13.803 12.240 -14.450 100 HD22 LEU 60 HD22 LEU 60 -12.152 11.595 -14.416 101 HD23 LEU 60 HD23 LEU 60 -13.548 10.487 -14.346 102 H ALA 61 H ALA 61 -13.267 12.318 -8.795 103 HA ALA 61 HA ALA 61 -12.268 9.678 -8.283 104 HB1 ALA 61 HB1 ALA 61 -11.944 12.230 -6.652 105 HB2 ALA 61 HB2 ALA 61 -10.972 10.748 -6.507 106 HB3 ALA 61 HB3 ALA 61 -10.907 11.703 -7.997 107 H ALA 62 H ALA 62 -12.681 8.175 -6.764 108 HA ALA 62 HA ALA 62 -14.978 8.619 -4.969 109 HB1 ALA 62 HB1 ALA 62 -13.791 6.023 -6.023 110 HB2 ALA 62 HB2 ALA 62 -15.280 6.179 -5.076 111 HB3 ALA 62 HB3 ALA 62 -15.198 6.869 -6.708 112 H LEU 63 H LEU 63 -15.155 7.677 -2.922 113 HA LEU 63 HA LEU 63 -12.584 7.370 -1.434 114 HB2 LEU 63 HB2 LEU 63 -15.098 8.833 -0.533 115 HB3 LEU 63 HB3 LEU 63 -13.659 8.571 0.445 116 HG LEU 63 HG LEU 63 -13.783 10.282 -2.081 117 HD11 LEU 63 HD11 LEU 63 -13.552 11.057 0.859 118 HD12 LEU 63 HD12 LEU 63 -13.539 12.166 -0.530 119 HD13 LEU 63 HD13 LEU 63 -15.002 11.244 -0.154 120 HD21 LEU 63 HD21 LEU 63 -11.530 9.370 -1.787 121 HD22 LEU 63 HD22 LEU 63 -11.544 11.078 -1.314 122 HD23 LEU 63 HD23 LEU 63 -11.541 9.817 -0.069 123 H HIS 64 H HIS 64 -12.557 5.984 0.294 124 HA HIS 64 HA HIS 64 -14.602 3.903 0.613 125 HB2 HIS 64 HB2 HIS 64 -12.149 4.733 2.173 126 HB3 HIS 64 HB3 HIS 64 -13.193 3.409 2.688 127 HD2 HIS 64 HD2 HIS 64 -10.074 3.948 0.910 128 HE1 HIS 64 HE1 HIS 64 -11.515 0.254 -0.647 129 HE2 HIS 64 HE2 HIS 64 -9.487 1.771 -0.467 130 H ALA 65 H ALA 65 -16.187 3.785 2.191 131 HA ALA 65 HA ALA 65 -16.869 6.363 3.504 132 HB1 ALA 65 HB1 ALA 65 -18.599 3.992 2.708 133 HB2 ALA 65 HB2 ALA 65 -19.167 5.565 3.310 134 HB3 ALA 65 HB3 ALA 65 -18.341 5.468 1.745 135 H GLU 66 H GLU 66 -15.649 3.355 4.546 136 HA GLU 66 HA GLU 66 -16.583 3.808 7.320 137 HB2 GLU 66 HB2 GLU 66 -17.416 1.554 7.582 138 HB3 GLU 66 HB3 GLU 66 -18.313 2.404 6.329 139 HG2 GLU 66 HG2 GLU 66 -16.984 1.226 4.583 140 HG3 GLU 66 HG3 GLU 66 -16.100 0.367 5.845 141 H GLY 67 H GLY 67 -15.539 2.447 8.932 142 HA2 GLY 67 HA2 GLY 67 -13.726 1.441 9.948 143 HA3 GLY 67 HA3 GLY 67 -13.238 0.856 8.360 144 HA PRO 68 HA PRO 68 -9.971 3.839 9.991 145 HB2 PRO 68 HB2 PRO 68 -7.847 2.391 8.896 146 HB3 PRO 68 HB3 PRO 68 -8.502 2.178 10.552 147 HG2 PRO 68 HG2 PRO 68 -9.126 0.594 8.046 148 HG3 PRO 68 HG3 PRO 68 -8.776 -0.023 9.694 149 HD2 PRO 68 HD2 PRO 68 -11.299 0.170 8.809 150 HD3 PRO 68 HD3 PRO 68 -10.913 0.646 10.489 151 H LEU 69 H LEU 69 -10.676 2.454 6.864 152 HA LEU 69 HA LEU 69 -9.104 4.362 5.297 153 HB2 LEU 69 HB2 LEU 69 -10.655 1.851 4.910 154 HB3 LEU 69 HB3 LEU 69 -10.748 2.975 3.565 155 HG LEU 69 HG LEU 69 -8.392 2.950 3.212 156 HD11 LEU 69 HD11 LEU 69 -8.152 1.242 5.721 157 HD12 LEU 69 HD12 LEU 69 -6.850 1.518 4.544 158 HD13 LEU 69 HD13 LEU 69 -7.481 2.873 5.474 159 HD21 LEU 69 HD21 LEU 69 -9.698 1.011 2.335 160 HD22 LEU 69 HD22 LEU 69 -8.018 0.568 2.696 161 HD23 LEU 69 HD23 LEU 69 -9.320 0.103 3.807 162 H ALA 70 H ALA 70 -12.123 4.683 6.857 163 HA ALA 70 HA ALA 70 -13.738 5.905 4.943 164 HB1 ALA 70 HB1 ALA 70 -13.438 6.628 7.886 165 HB2 ALA 70 HB2 ALA 70 -14.816 7.047 6.846 166 HB3 ALA 70 HB3 ALA 70 -14.475 5.351 7.220 167 H GLY 71 H GLY 71 -13.637 7.685 3.744 168 HA2 GLY 71 HA2 GLY 71 -13.272 9.977 3.271 169 HA3 GLY 71 HA3 GLY 71 -12.130 10.087 4.622 170 H LEU 72 H LEU 72 -11.126 7.378 2.990 171 HA LEU 72 HA LEU 72 -9.046 8.987 1.583 172 HB2 LEU 72 HB2 LEU 72 -8.996 6.122 2.551 173 HB3 LEU 72 HB3 LEU 72 -7.632 7.072 1.963 174 HG LEU 72 HG LEU 72 -9.096 7.423 4.591 175 HD11 LEU 72 HD11 LEU 72 -6.191 6.783 3.932 176 HD12 LEU 72 HD12 LEU 72 -6.942 6.829 5.542 177 HD13 LEU 72 HD13 LEU 72 -7.415 5.582 4.376 178 HD21 LEU 72 HD21 LEU 72 -8.551 9.671 3.821 179 HD22 LEU 72 HD22 LEU 72 -7.419 9.195 5.087 180 HD23 LEU 72 HD23 LEU 72 -6.900 9.161 3.388 181 HA PRO 73 HA PRO 73 -10.116 7.615 -2.542 182 HB2 PRO 73 HB2 PRO 73 -7.673 6.913 -3.621 183 HB3 PRO 73 HB3 PRO 73 -8.246 8.590 -3.434 184 HG2 PRO 73 HG2 PRO 73 -6.448 6.998 -1.575 185 HG3 PRO 73 HG3 PRO 73 -6.197 8.653 -2.180 186 HD2 PRO 73 HD2 PRO 73 -7.199 8.236 0.259 187 HD3 PRO 73 HD3 PRO 73 -7.931 9.494 -0.754 188 H VAL 74 H VAL 74 -10.789 5.844 -3.590 189 HA VAL 74 HA VAL 74 -10.242 3.225 -2.375 190 HB VAL 74 HB VAL 74 -11.922 3.837 -4.829 191 HG11 VAL 74 HG11 VAL 74 -11.799 1.411 -3.002 192 HG12 VAL 74 HG12 VAL 74 -12.990 1.676 -4.296 193 HG13 VAL 74 HG13 VAL 74 -11.287 1.473 -4.705 194 HG21 VAL 74 HG21 VAL 74 -12.842 5.006 -2.872 195 HG22 VAL 74 HG22 VAL 74 -13.854 3.624 -3.285 196 HG23 VAL 74 HG23 VAL 74 -12.732 3.513 -1.910 197 H THR 75 H THR 75 -9.315 4.965 -5.341 198 HA THR 75 HA THR 75 -7.338 2.798 -5.933 199 HB THR 75 HB THR 75 -7.853 2.879 -8.211 200 HG1 THR 75 HG1 THR 75 -9.306 4.563 -9.015 201 HG21 THR 75 HG21 THR 75 -10.571 3.421 -6.949 202 HG22 THR 75 HG22 THR 75 -10.244 2.563 -8.469 203 HG23 THR 75 HG23 THR 75 -9.736 1.857 -6.923 204 H ARG 76 H ARG 76 -5.601 3.337 -7.410 205 HA ARG 76 HA ARG 76 -3.935 5.550 -6.692 206 HB2 ARG 76 HB2 ARG 76 -4.129 3.753 -9.156 207 HB3 ARG 76 HB3 ARG 76 -2.882 4.988 -9.015 208 HG2 ARG 76 HG2 ARG 76 -1.773 3.929 -7.270 209 HG3 ARG 76 HG3 ARG 76 -3.162 2.935 -6.805 210 HD2 ARG 76 HD2 ARG 76 -2.886 1.446 -8.635 211 HD3 ARG 76 HD3 ARG 76 -1.953 2.616 -9.557 212 HE ARG 76 HE ARG 76 -0.042 1.802 -8.696 213 HH11 ARG 76 HH11 ARG 76 -2.474 0.703 -6.336 214 HH12 ARG 76 HH12 ARG 76 -1.205 -0.111 -5.418 215 HH21 ARG 76 HH21 ARG 76 1.364 0.578 -7.395 216 HH22 ARG 76 HH22 ARG 76 0.709 -0.082 -5.901 217 H SER 77 H SER 77 -6.293 5.236 -9.353 218 HA SER 77 HA SER 77 -5.816 7.887 -10.404 219 HB2 SER 77 HB2 SER 77 -8.076 5.907 -10.815 220 HB3 SER 77 HB3 SER 77 -7.926 7.447 -11.690 221 HG SER 77 HG SER 77 -6.920 5.477 -12.684 222 H ASP 78 H ASP 78 -8.265 6.663 -8.024 223 HA ASP 78 HA ASP 78 -9.598 9.201 -7.785 224 HB2 ASP 78 HB2 ASP 78 -9.117 7.206 -5.543 225 HB3 ASP 78 HB3 ASP 78 -10.316 8.505 -5.570 226 H ALA 79 H ALA 79 -6.710 7.887 -6.082 227 HA ALA 79 HA ALA 79 -6.264 10.157 -4.419 228 HB1 ALA 79 HB1 ALA 79 -4.231 8.183 -5.564 229 HB2 ALA 79 HB2 ALA 79 -4.080 9.149 -4.079 230 HB3 ALA 79 HB3 ALA 79 -5.274 7.847 -4.181 231 H ARG 80 H ARG 80 -4.829 9.404 -7.629 232 HA ARG 80 HA ARG 80 -3.309 11.776 -8.061 233 HB2 ARG 80 HB2 ARG 80 -3.473 9.567 -9.405 234 HB3 ARG 80 HB3 ARG 80 -4.895 10.261 -10.183 235 HG2 ARG 80 HG2 ARG 80 -3.340 12.250 -10.804 236 HG3 ARG 80 HG3 ARG 80 -2.011 11.210 -10.270 237 HD2 ARG 80 HD2 ARG 80 -3.923 10.812 -12.590 238 HD3 ARG 80 HD3 ARG 80 -2.176 10.992 -12.648 239 HE ARG 80 HE ARG 80 -1.924 8.766 -11.649 240 HH11 ARG 80 HH11 ARG 80 -5.055 9.358 -13.153 241 HH12 ARG 80 HH12 ARG 80 -5.518 7.674 -12.991 242 HH21 ARG 80 HH21 ARG 80 -2.592 6.612 -11.632 243 HH22 ARG 80 HH22 ARG 80 -4.208 6.220 -12.179 244 H VAL 81 H VAL 81 -6.749 11.174 -8.837 245 HA VAL 81 HA VAL 81 -7.120 13.869 -9.876 246 HB VAL 81 HB VAL 81 -9.075 11.624 -9.310 247 HG11 VAL 81 HG11 VAL 81 -9.534 14.278 -10.745 248 HG12 VAL 81 HG12 VAL 81 -10.666 12.905 -10.746 249 HG13 VAL 81 HG13 VAL 81 -10.327 13.762 -9.237 250 HG21 VAL 81 HG21 VAL 81 -7.440 11.234 -11.169 251 HG22 VAL 81 HG22 VAL 81 -9.088 11.416 -11.766 252 HG23 VAL 81 HG23 VAL 81 -7.940 12.765 -11.912 253 H LEU 82 H LEU 82 -7.788 12.400 -6.635 254 HA LEU 82 HA LEU 82 -9.077 14.744 -5.572 255 HB2 LEU 82 HB2 LEU 82 -7.383 12.541 -4.347 256 HB3 LEU 82 HB3 LEU 82 -8.074 13.818 -3.363 257 HG LEU 82 HG LEU 82 -9.805 12.071 -5.139 258 HD11 LEU 82 HD11 LEU 82 -9.248 11.671 -2.178 259 HD12 LEU 82 HD12 LEU 82 -10.225 10.644 -3.273 260 HD13 LEU 82 HD13 LEU 82 -8.473 10.745 -3.475 261 HD21 LEU 82 HD21 LEU 82 -10.897 14.140 -4.389 262 HD22 LEU 82 HD22 LEU 82 -11.599 12.727 -3.589 263 HD23 LEU 82 HD23 LEU 82 -10.462 13.769 -2.705 264 H ILE 83 H ILE 83 -5.575 13.865 -5.750 265 HA ILE 83 HA ILE 83 -4.654 16.317 -4.547 266 HB ILE 83 HB ILE 83 -3.268 14.448 -6.504 267 HG12 ILE 83 HG12 ILE 83 -2.803 14.747 -3.498 268 HG13 ILE 83 HG13 ILE 83 -3.968 13.601 -4.146 269 HG21 ILE 83 HG21 ILE 83 -2.196 16.813 -4.887 270 HG22 ILE 83 HG22 ILE 83 -1.154 15.599 -5.625 271 HG23 ILE 83 HG23 ILE 83 -2.154 16.622 -6.654 272 HD11 ILE 83 HD11 ILE 83 -0.977 13.557 -4.652 273 HD12 ILE 83 HD12 ILE 83 -1.952 12.398 -3.736 274 HD13 ILE 83 HD13 ILE 83 -2.166 12.522 -5.487 275 H PHE 84 H PHE 84 -5.274 15.492 -8.016 276 HA PHE 84 HA PHE 84 -4.569 18.028 -9.068 277 HB2 PHE 84 HB2 PHE 84 -5.016 16.063 -10.482 278 HB3 PHE 84 HB3 PHE 84 -6.687 16.045 -9.959 279 HD1 PHE 84 HD1 PHE 84 -4.680 19.055 -11.013 280 HD2 PHE 84 HD2 PHE 84 -7.954 16.397 -11.902 281 HE1 PHE 84 HE1 PHE 84 -5.258 20.439 -12.958 282 HE2 PHE 84 HE2 PHE 84 -8.552 17.809 -13.854 283 HZ PHE 84 HZ PHE 84 -7.193 19.835 -14.393 284 H ASN 85 H ASN 85 -7.808 16.920 -7.941 285 HA ASN 85 HA ASN 85 -9.194 19.308 -8.524 286 HB2 ASN 85 HB2 ASN 85 -10.172 17.060 -8.060 287 HB3 ASN 85 HB3 ASN 85 -9.717 17.196 -6.368 288 HD21 ASN 85 HD22 ASN 85 -12.362 16.684 -7.228 289 HD22 ASN 85 HD21 ASN 85 -13.317 18.074 -6.720 290 H GLU 86 H GLU 86 -7.597 18.270 -5.444 291 HA GLU 86 HA GLU 86 -8.107 20.672 -3.992 292 HB2 GLU 86 HB2 GLU 86 -7.369 18.646 -2.876 293 HB3 GLU 86 HB3 GLU 86 -5.806 18.697 -3.721 294 HG2 GLU 86 HG2 GLU 86 -5.189 20.760 -2.610 295 HG3 GLU 86 HG3 GLU 86 -6.821 20.974 -1.979 296 H TRP 87 H TRP 87 -5.105 19.828 -5.960 297 HA TRP 87 HA TRP 87 -3.847 22.311 -5.653 298 HB2 TRP 87 HB2 TRP 87 -2.703 20.490 -6.729 299 HB3 TRP 87 HB3 TRP 87 -3.936 20.372 -7.984 300 HD1 TRP 87 HD1 TRP 87 -1.078 22.649 -6.860 301 HE1 TRP 87 HE1 TRP 87 -0.451 24.287 -8.739 302 HE3 TRP 87 HE3 TRP 87 -4.734 21.442 -10.237 303 HZ2 TRP 87 HZ2 TRP 87 -1.367 24.933 -11.389 304 HZ3 TRP 87 HZ3 TRP 87 -4.867 22.641 -12.416 305 HH2 TRP 87 HH2 TRP 87 -3.185 24.353 -13.003 306 H GLU 88 H GLU 88 -6.410 21.451 -8.055 307 HA GLU 88 HA GLU 88 -6.199 23.932 -9.434 308 HB2 GLU 88 HB2 GLU 88 -7.240 21.647 -10.122 309 HB3 GLU 88 HB3 GLU 88 -8.720 22.255 -9.389 310 HG2 GLU 88 HG2 GLU 88 -7.081 23.626 -11.570 311 HG3 GLU 88 HG3 GLU 88 -8.456 22.580 -11.880 312 H GLU 89 H GLU 89 -8.448 22.927 -6.794 313 HA GLU 89 HA GLU 89 -9.851 25.435 -6.649 314 HB2 GLU 89 HB2 GLU 89 -10.653 23.304 -5.677 315 HB3 GLU 89 HB3 GLU 89 -9.341 23.347 -4.486 316 HG2 GLU 89 HG2 GLU 89 -10.242 25.433 -3.536 317 HG3 GLU 89 HG3 GLU 89 -11.479 25.501 -4.796 318 H ARG 90 H ARG 90 -6.981 24.219 -4.853 319 HA ARG 90 HA ARG 90 -6.453 26.554 -3.265 320 HB2 ARG 90 HB2 ARG 90 -4.534 24.583 -4.564 321 HB3 ARG 90 HB3 ARG 90 -4.069 25.747 -3.327 322 HG2 ARG 90 HG2 ARG 90 -6.269 23.759 -2.738 323 HG3 ARG 90 HG3 ARG 90 -4.586 23.233 -2.812 324 HD2 ARG 90 HD2 ARG 90 -4.025 24.936 -1.056 325 HD3 ARG 90 HD3 ARG 90 -5.747 25.382 -0.988 326 HE ARG 90 HE ARG 90 -5.375 22.531 -0.611 327 HH11 ARG 90 HH11 ARG 90 -5.114 25.508 1.232 328 HH12 ARG 90 HH12 ARG 90 -5.350 24.677 2.743 329 HH21 ARG 90 HH21 ARG 90 -5.629 21.551 1.269 330 HH22 ARG 90 HH22 ARG 90 -5.647 22.461 2.772 331 H LYS 91 H LYS 91 -5.211 25.631 -6.460 332 HA LYS 91 HA LYS 91 -3.807 28.002 -7.110 333 HB2 LYS 91 HB2 LYS 91 -3.512 26.013 -8.399 334 HB3 LYS 91 HB3 LYS 91 -5.186 25.982 -8.916 335 HG2 LYS 91 HG2 LYS 91 -3.604 28.435 -9.630 336 HG3 LYS 91 HG3 LYS 91 -3.127 26.941 -10.409 337 HD2 LYS 91 HD2 LYS 91 -6.031 27.878 -10.440 338 HD3 LYS 91 HD3 LYS 91 -4.842 28.392 -11.646 339 HE2 LYS 91 HE2 LYS 91 -4.357 26.027 -12.203 340 HE3 LYS 91 HE3 LYS 91 -5.554 25.485 -11.023 341 HZ1 LYS 91 HZ1 LYS 91 -6.223 27.206 -13.353 342 HZ2 LYS 91 HZ2 LYS 91 -6.357 25.577 -13.339 343 HZ3 LYS 91 HZ3 LYS 91 -7.286 26.419 -12.324 344 H LYS 92 H LYS 92 -7.344 27.431 -7.604 345 HA LYS 92 HA LYS 92 -7.799 30.064 -8.734 346 HB2 LYS 92 HB2 LYS 92 -9.632 28.080 -7.338 347 HB3 LYS 92 HB3 LYS 92 -10.185 29.661 -7.906 348 HG2 LYS 92 HG2 LYS 92 -9.509 29.144 -10.205 349 HG3 LYS 92 HG3 LYS 92 -8.818 27.607 -9.686 350 HD2 LYS 92 HD2 LYS 92 -10.949 27.187 -10.714 351 HD3 LYS 92 HD3 LYS 92 -11.069 26.821 -8.987 352 HE2 LYS 92 HE2 LYS 92 -12.192 29.005 -8.600 353 HE3 LYS 92 HE3 LYS 92 -11.990 29.424 -10.306 354 HZ1 LYS 92 HZ1 LYS 92 -13.627 27.144 -9.296 355 HZ2 LYS 92 HZ2 LYS 92 -14.221 28.556 -9.865 356 HZ3 LYS 92 HZ3 LYS 92 -13.443 27.540 -10.875 357 H SER 93 H SER 93 -7.801 28.970 -5.300 358 HA SER 93 HA SER 93 -8.453 31.620 -4.301 359 HB2 SER 93 HB2 SER 93 -7.132 29.261 -2.921 360 HB3 SER 93 HB3 SER 93 -7.711 30.734 -2.119 361 HG SER 93 HG SER 93 -9.295 29.060 -2.061 362 H ASP 94 H ASP 94 -5.356 29.991 -4.864 363 HA ASP 94 HA ASP 94 -3.734 32.429 -4.480 364 HB2 ASP 94 HB2 ASP 94 -3.549 29.889 -2.812 365 HB3 ASP 94 HB3 ASP 94 -2.228 31.038 -2.980 366 HA PRO 95 HA PRO 95 -2.791 29.988 -8.109 367 HB2 PRO 95 HB2 PRO 95 -1.392 31.787 -9.622 368 HB3 PRO 95 HB3 PRO 95 -3.135 31.956 -9.255 369 HG2 PRO 95 HG2 PRO 95 -0.808 33.184 -7.706 370 HG3 PRO 95 HG3 PRO 95 -2.216 34.047 -8.435 371 HD2 PRO 95 HD2 PRO 95 -2.248 33.338 -5.853 372 HD3 PRO 95 HD3 PRO 95 -3.715 33.037 -6.842 373 H TRP 96 H TRP 96 -0.181 30.967 -6.070 374 HA TRP 96 HA TRP 96 2.053 30.213 -7.617 375 HB2 TRP 96 HB2 TRP 96 3.292 30.438 -5.614 376 HB3 TRP 96 HB3 TRP 96 1.992 31.611 -5.494 377 HD1 TRP 96 HD1 TRP 96 -0.217 30.625 -4.009 378 HE1 TRP 96 HE1 TRP 96 -0.239 29.260 -1.828 379 HE3 TRP 96 HE3 TRP 96 4.538 28.751 -4.200 380 HZ2 TRP 96 HZ2 TRP 96 1.553 27.507 -0.404 381 HZ3 TRP 96 HZ3 TRP 96 5.344 27.194 -2.436 382 HH2 TRP 96 HH2 TRP 96 3.866 26.568 -0.539 383 H LEU 97 H LEU 97 -0.132 28.047 -5.912 384 HA LEU 97 HA LEU 97 1.707 26.207 -4.987 385 HB2 LEU 97 HB2 LEU 97 -0.690 26.439 -4.314 386 HB3 LEU 97 HB3 LEU 97 -1.166 25.695 -5.844 387 HG LEU 97 HG LEU 97 0.050 23.597 -5.157 388 HD11 LEU 97 HD11 LEU 97 0.323 25.044 -2.484 389 HD12 LEU 97 HD12 LEU 97 0.617 23.315 -2.757 390 HD13 LEU 97 HD13 LEU 97 1.662 24.513 -3.519 391 HD21 LEU 97 HD21 LEU 97 -2.361 23.926 -4.819 392 HD22 LEU 97 HD22 LEU 97 -1.654 22.896 -3.556 393 HD23 LEU 97 HD23 LEU 97 -2.035 24.599 -3.199 394 H ARG 98 H ARG 98 2.630 24.282 -5.746 395 HA ARG 98 HA ARG 98 2.459 23.706 -8.654 396 HB2 ARG 98 HB2 ARG 98 4.674 24.077 -7.416 397 HB3 ARG 98 HB3 ARG 98 4.376 22.552 -6.592 398 HG2 ARG 98 HG2 ARG 98 5.876 22.114 -8.382 399 HG3 ARG 98 HG3 ARG 98 4.330 21.416 -8.871 400 HD2 ARG 98 HD2 ARG 98 3.902 23.414 -10.305 401 HD3 ARG 98 HD3 ARG 98 5.433 24.123 -9.747 402 HE ARG 98 HE ARG 98 5.889 21.510 -10.851 403 HH11 ARG 98 HH11 ARG 98 5.215 24.774 -11.949 404 HH12 ARG 98 HH12 ARG 98 5.996 24.516 -13.483 405 HH21 ARG 98 HH21 ARG 98 6.870 21.250 -12.829 406 HH22 ARG 98 HH22 ARG 98 6.905 22.567 -13.964 407 H LEU 99 H LEU 99 1.803 21.749 -9.495 408 HA LEU 99 HA LEU 99 0.215 19.957 -7.743 409 HB2 LEU 99 HB2 LEU 99 -0.550 21.051 -9.976 410 HB3 LEU 99 HB3 LEU 99 0.494 19.897 -10.759 411 HG LEU 99 HG LEU 99 -2.071 19.326 -9.171 412 HD11 LEU 99 HD11 LEU 99 -1.126 18.799 -12.031 413 HD12 LEU 99 HD12 LEU 99 -2.671 18.272 -11.364 414 HD13 LEU 99 HD13 LEU 99 -2.327 20.007 -11.530 415 HD21 LEU 99 HD21 LEU 99 -0.576 17.598 -8.498 416 HD22 LEU 99 HD22 LEU 99 -1.784 17.005 -9.620 417 HD23 LEU 99 HD23 LEU 99 -0.114 17.293 -10.204 418 H ASP 100 H ASP 100 1.288 18.214 -6.869 419 HA ASP 100 HA ASP 100 3.207 16.668 -8.568 420 HB2 ASP 100 HB2 ASP 100 3.587 17.520 -5.678 421 HB3 ASP 100 HB3 ASP 100 4.491 16.218 -6.443 422 H MET 101 H MET 101 2.437 14.696 -8.888 423 HA MET 101 HA MET 101 1.382 13.062 -6.704 424 HB2 MET 101 HB2 MET 101 -0.754 12.535 -8.121 425 HB3 MET 101 HB3 MET 101 -0.676 13.904 -7.049 426 HG2 MET 101 HG2 MET 101 -1.782 14.695 -8.887 427 HG3 MET 101 HG3 MET 101 -0.168 15.352 -9.026 428 HE1 MET 101 HE1 MET 101 -1.741 15.842 -11.513 429 HE2 MET 101 HE2 MET 101 -2.147 14.463 -12.555 430 HE3 MET 101 HE3 MET 101 -2.905 14.616 -10.951 431 H SER 102 H SER 102 3.639 12.512 -7.597 432 HA SER 102 HA SER 102 3.707 10.425 -9.623 433 HB2 SER 102 HB2 SER 102 5.817 9.812 -8.553 434 HB3 SER 102 HB3 SER 102 5.741 11.567 -8.788 435 HG SER 102 HG SER 102 6.443 11.171 -6.688 436 H ASP 103 H ASP 103 3.838 8.111 -9.141 437 HA ASP 103 HA ASP 103 1.818 7.030 -7.516 438 HB2 ASP 103 HB2 ASP 103 4.462 5.800 -8.402 439 HB3 ASP 103 HB3 ASP 103 3.102 4.898 -7.747 440 H LYS 104 H LYS 104 5.230 7.650 -6.662 441 HA LYS 104 HA LYS 104 5.144 6.653 -3.963 442 HB2 LYS 104 HB2 LYS 104 6.886 8.810 -5.248 443 HB3 LYS 104 HB3 LYS 104 7.149 8.125 -3.638 444 HG2 LYS 104 HG2 LYS 104 7.424 5.865 -4.624 445 HG3 LYS 104 HG3 LYS 104 7.197 6.543 -6.247 446 HD2 LYS 104 HD2 LYS 104 9.188 7.993 -5.925 447 HD3 LYS 104 HD3 LYS 104 9.427 7.300 -4.306 448 HE2 LYS 104 HE2 LYS 104 9.682 5.040 -5.317 449 HE3 LYS 104 HE3 LYS 104 9.434 5.727 -6.927 450 HZ1 LYS 104 HZ1 LYS 104 11.699 6.413 -5.116 451 HZ2 LYS 104 HZ2 LYS 104 11.803 5.461 -6.435 452 HZ3 LYS 104 HZ3 LYS 104 11.470 7.048 -6.607 453 H ALA 105 H ALA 105 4.312 9.947 -5.248 454 HA ALA 105 HA ALA 105 3.803 11.097 -2.662 455 HB1 ALA 105 HB1 ALA 105 2.578 11.774 -5.347 456 HB2 ALA 105 HB2 ALA 105 2.595 12.797 -3.901 457 HB3 ALA 105 HB3 ALA 105 4.117 12.410 -4.730 458 H ILE 106 H ILE 106 1.752 9.195 -4.878 459 HA ILE 106 HA ILE 106 -0.607 9.444 -3.212 460 HB ILE 106 HB ILE 106 0.154 7.618 -5.502 461 HG12 ILE 106 HG12 ILE 106 -1.950 8.646 -6.441 462 HG13 ILE 106 HG13 ILE 106 -2.082 9.633 -4.977 463 HG21 ILE 106 HG21 ILE 106 -2.352 7.295 -3.787 464 HG22 ILE 106 HG22 ILE 106 -2.108 6.581 -5.399 465 HG23 ILE 106 HG23 ILE 106 -1.085 6.083 -4.064 466 HD11 ILE 106 HD11 ILE 106 0.192 9.687 -6.964 467 HD12 ILE 106 HD12 ILE 106 -1.133 10.860 -6.844 468 HD13 ILE 106 HD13 ILE 106 0.066 10.749 -5.537 469 H PHE 107 H PHE 107 1.865 6.842 -3.377 470 HA PHE 107 HA PHE 107 0.565 5.418 -1.234 471 HB2 PHE 107 HB2 PHE 107 3.485 5.061 -1.872 472 HB3 PHE 107 HB3 PHE 107 2.334 3.897 -1.185 473 HD1 PHE 107 HD1 PHE 107 -0.000 4.166 -2.977 474 HD2 PHE 107 HD2 PHE 107 4.218 3.977 -3.856 475 HE1 PHE 107 HE1 PHE 107 -0.522 3.500 -5.280 476 HE2 PHE 107 HE2 PHE 107 3.696 3.230 -6.159 477 HZ PHE 107 HZ PHE 107 1.332 3.080 -6.914 478 H ARG 108 H ARG 108 3.010 8.002 -1.101 479 HA ARG 108 HA ARG 108 3.513 7.786 1.753 480 HB2 ARG 108 HB2 ARG 108 3.890 9.976 -0.330 481 HB3 ARG 108 HB3 ARG 108 4.280 10.231 1.356 482 HG2 ARG 108 HG2 ARG 108 5.511 7.985 -0.299 483 HG3 ARG 108 HG3 ARG 108 6.224 9.589 -0.114 484 HD2 ARG 108 HD2 ARG 108 6.299 9.255 2.354 485 HD3 ARG 108 HD3 ARG 108 5.678 7.621 2.158 486 HE ARG 108 HE ARG 108 8.374 8.628 1.528 487 HH11 ARG 108 HH11 ARG 108 6.235 5.869 1.099 488 HH12 ARG 108 HH12 ARG 108 7.561 4.800 0.736 489 HH21 ARG 108 HH21 ARG 108 9.998 7.202 1.060 490 HH22 ARG 108 HH22 ARG 108 9.631 5.539 0.716 491 H ARG 109 H ARG 109 1.132 9.719 -0.133 492 HA ARG 109 HA ARG 109 -0.046 10.888 2.296 493 HB2 ARG 109 HB2 ARG 109 -0.970 10.695 -0.601 494 HB3 ARG 109 HB3 ARG 109 -1.943 11.423 0.681 495 HG2 ARG 109 HG2 ARG 109 -0.164 13.065 1.166 496 HG3 ARG 109 HG3 ARG 109 0.865 12.344 -0.080 497 HD2 ARG 109 HD2 ARG 109 -0.214 14.352 -0.961 498 HD3 ARG 109 HD3 ARG 109 -0.779 12.926 -1.811 499 HE ARG 109 HE ARG 109 -2.910 13.091 -0.773 500 HH11 ARG 109 HH11 ARG 109 -0.902 15.735 0.357 501 HH12 ARG 109 HH12 ARG 109 -2.267 16.614 0.984 502 HH21 ARG 109 HH21 ARG 109 -4.597 14.247 0.082 503 HH22 ARG 109 HH22 ARG 109 -4.306 15.824 0.756 504 H TYR 110 H TYR 110 -0.806 8.095 0.288 505 HA TYR 110 HA TYR 110 -2.980 7.242 2.151 506 HB2 TYR 110 HB2 TYR 110 -2.962 6.967 -0.862 507 HB3 TYR 110 HB3 TYR 110 -4.288 6.687 0.252 508 HD1 TYR 110 HD2 TYR 110 -4.977 8.861 1.718 509 HD2 TYR 110 HD1 TYR 110 -2.910 8.930 -2.058 510 HE1 TYR 110 HE2 TYR 110 -5.853 11.154 1.278 511 HE2 TYR 110 HE1 TYR 110 -3.828 11.199 -2.529 512 HH TYR 110 HH TYR 110 -5.286 12.864 -1.823 513 HA PRO 111 HA PRO 111 0.370 4.083 1.729 514 HB2 PRO 111 HB2 PRO 111 0.328 3.028 4.266 515 HB3 PRO 111 HB3 PRO 111 1.118 4.574 3.838 516 HG2 PRO 111 HG2 PRO 111 -1.669 4.165 4.974 517 HG3 PRO 111 HG3 PRO 111 -0.389 5.277 5.561 518 HD2 PRO 111 HD2 PRO 111 -2.356 6.160 3.941 519 HD3 PRO 111 HD3 PRO 111 -0.675 6.728 3.705 520 H HIS 112 H HIS 112 -3.001 3.589 2.320 521 HA HIS 112 HA HIS 112 -2.907 0.678 2.244 522 HB2 HIS 112 HB2 HIS 112 -5.289 0.805 2.344 523 HB3 HIS 112 HB3 HIS 112 -4.619 1.963 3.484 524 HD2 HIS 112 HD2 HIS 112 -7.111 1.685 0.763 525 HE1 HIS 112 HE1 HIS 112 -6.290 5.852 0.870 526 HE2 HIS 112 HE2 HIS 112 -7.833 4.093 -0.058 527 H LEU 113 H LEU 113 -2.533 2.997 -0.258 528 HA LEU 113 HA LEU 113 -3.948 1.440 -2.268 529 HB2 LEU 113 HB2 LEU 113 -2.221 3.914 -2.369 530 HB3 LEU 113 HB3 LEU 113 -2.565 3.037 -3.850 531 HG LEU 113 HG LEU 113 -4.125 4.908 -3.563 532 HD11 LEU 113 HD11 LEU 113 -5.639 2.293 -3.175 533 HD12 LEU 113 HD12 LEU 113 -6.227 3.797 -3.859 534 HD13 LEU 113 HD13 LEU 113 -4.964 2.865 -4.720 535 HD21 LEU 113 HD21 LEU 113 -4.158 4.882 -1.075 536 HD22 LEU 113 HD22 LEU 113 -5.777 4.945 -1.819 537 HD23 LEU 113 HD23 LEU 113 -5.170 3.431 -1.143 538 H ARG 114 H ARG 114 -0.517 1.583 -1.341 539 HA ARG 114 HA ARG 114 1.232 0.226 -1.786 540 HB2 ARG 114 HB2 ARG 114 -0.454 -1.138 -0.492 541 HB3 ARG 114 HB3 ARG 114 -0.836 -1.979 -1.986 542 HG2 ARG 114 HG2 ARG 114 1.928 -1.854 -0.684 543 HG3 ARG 114 HG3 ARG 114 0.755 -3.150 -0.454 544 HD2 ARG 114 HD2 ARG 114 0.844 -3.581 -2.956 545 HD3 ARG 114 HD3 ARG 114 2.175 -2.427 -3.037 546 HE ARG 114 HE ARG 114 3.605 -3.898 -1.958 547 HH11 ARG 114 HH11 ARG 114 0.416 -5.366 -2.008 548 HH12 ARG 114 HH12 ARG 114 1.037 -6.927 -1.546 549 HH21 ARG 114 HH21 ARG 114 4.315 -5.908 -1.379 550 HH22 ARG 114 HH22 ARG 114 3.188 -7.221 -1.203 Start of MODEL 2 1 H1 MET 1 H1 MET 1 6.777 35.495 -6.218 2 H2 MET 1 H2 MET 1 6.810 36.639 -7.391 3 H3 MET 1 H3 MET 1 8.055 36.505 -6.348 4 HA MET 1 HA MET 1 8.701 35.621 -8.460 5 HB2 MET 1 HB2 MET 1 9.642 34.615 -6.382 6 HB3 MET 1 HB3 MET 1 8.421 33.345 -6.452 7 HG2 MET 1 HG2 MET 1 9.302 32.643 -8.672 8 HG3 MET 1 HG3 MET 1 10.483 33.958 -8.612 9 HE1 MET 1 HE1 MET 1 12.471 32.347 -9.122 10 HE2 MET 1 HE2 MET 1 12.765 30.825 -8.257 11 HE3 MET 1 HE3 MET 1 11.313 31.005 -9.265 12 H ARG 2 H ARG 2 6.281 33.202 -7.231 13 HA ARG 2 HA ARG 2 4.782 31.882 -8.279 14 HB2 ARG 2 HB2 ARG 2 4.092 34.424 -8.931 15 HB3 ARG 2 HB3 ARG 2 4.344 33.795 -10.554 16 HG2 ARG 2 HG2 ARG 2 2.710 31.927 -9.977 17 HG3 ARG 2 HG3 ARG 2 2.446 32.710 -8.413 18 HD2 ARG 2 HD2 ARG 2 1.973 34.074 -11.090 19 HD3 ARG 2 HD3 ARG 2 0.725 33.180 -10.206 20 HE ARG 2 HE ARG 2 1.801 35.043 -8.382 21 HH11 ARG 2 HH11 ARG 2 -0.028 35.221 -11.370 22 HH12 ARG 2 HH12 ARG 2 -0.767 36.734 -10.933 23 HH21 ARG 2 HH21 ARG 2 0.832 36.986 -7.896 24 HH22 ARG 2 HH22 ARG 2 -0.287 37.702 -9.013 25 H GLY 3 H GLY 3 4.106 31.129 -10.779 26 HA2 GLY 3 HA2 GLY 3 4.777 30.105 -12.764 27 HA3 GLY 3 HA3 GLY 3 6.437 30.591 -12.468 28 H SER 4 H SER 4 6.505 28.345 -13.468 29 HA SER 4 HA SER 4 6.929 26.131 -13.428 30 HB2 SER 4 HB2 SER 4 7.936 26.702 -10.628 31 HB3 SER 4 HB3 SER 4 8.351 25.297 -11.628 32 HG SER 4 HG SER 4 9.938 26.958 -11.794 33 H HIS 5 H HIS 5 4.214 26.704 -12.809 34 HA HIS 5 HA HIS 5 3.137 25.390 -10.585 35 HB2 HIS 5 HB2 HIS 5 1.904 25.749 -13.346 36 HB3 HIS 5 HB3 HIS 5 1.026 25.382 -11.865 37 HD2 HIS 5 HD2 HIS 5 0.573 27.353 -10.137 38 HE1 HIS 5 HE1 HIS 5 2.002 30.537 -12.586 39 HE2 HIS 5 HE2 HIS 5 0.680 29.954 -10.471 40 H HIS 6 H HIS 6 3.986 23.969 -13.702 41 HA HIS 6 HA HIS 6 3.946 21.913 -14.606 42 HB2 HIS 6 HB2 HIS 6 5.274 21.353 -12.584 43 HB3 HIS 6 HB3 HIS 6 3.797 20.815 -11.787 44 HD2 HIS 6 HD2 HIS 6 3.880 18.245 -11.717 45 HE1 HIS 6 HE1 HIS 6 5.145 17.432 -15.710 46 HE2 HIS 6 HE2 HIS 6 4.410 16.382 -13.509 47 H HIS 7 H HIS 7 2.707 19.984 -15.117 48 HA HIS 7 HA HIS 7 0.033 19.694 -14.023 49 HB2 HIS 7 HB2 HIS 7 -0.379 21.368 -15.808 50 HB3 HIS 7 HB3 HIS 7 0.283 20.239 -16.993 51 HD2 HIS 7 HD2 HIS 7 -1.985 19.870 -18.332 52 HE1 HIS 7 HE1 HIS 7 -4.356 18.282 -15.162 53 HE2 HIS 7 HE2 HIS 7 -4.279 18.755 -17.661 54 H HIS 8 H HIS 8 -0.841 17.665 -14.366 55 HA HIS 8 HA HIS 8 0.985 15.590 -15.524 56 HB2 HIS 8 HB2 HIS 8 0.519 15.215 -13.175 57 HB3 HIS 8 HB3 HIS 8 -1.221 15.309 -13.459 58 HD2 HIS 8 HD2 HIS 8 1.825 13.098 -14.486 59 HE1 HIS 8 HE1 HIS 8 -1.675 10.723 -14.993 60 HE2 HIS 8 HE2 HIS 8 0.865 10.726 -15.109 61 H HIS 9 H HIS 9 -2.511 15.363 -15.060 62 HA HIS 9 HA HIS 9 -3.206 15.761 -17.860 63 HB2 HIS 9 HB2 HIS 9 -2.294 13.447 -17.910 64 HB3 HIS 9 HB3 HIS 9 -3.386 12.982 -16.609 65 HD2 HIS 9 HD2 HIS 9 -5.122 11.408 -17.708 66 HE1 HIS 9 HE1 HIS 9 -6.153 13.728 -21.138 67 HE2 HIS 9 HE2 HIS 9 -6.679 11.609 -19.825 68 H HIS 10 H HIS 10 -5.497 15.688 -18.179 69 HA HIS 10 HA HIS 10 -7.133 16.520 -15.877 70 HB2 HIS 10 HB2 HIS 10 -7.799 16.163 -18.827 71 HB3 HIS 10 HB3 HIS 10 -8.820 16.948 -17.623 72 HD2 HIS 10 HD2 HIS 10 -6.244 17.773 -20.152 73 HE1 HIS 10 HE1 HIS 10 -6.331 21.162 -17.559 74 HE2 HIS 10 HE2 HIS 10 -5.519 20.285 -19.811 75 H GLY 11 H GLY 11 -9.638 15.333 -16.914 76 HA2 GLY 11 HA2 GLY 11 -9.325 12.419 -16.724 77 HA3 GLY 11 HA3 GLY 11 -10.137 13.165 -15.346 78 H SER 12 H SER 12 -11.408 11.277 -16.806 79 HA SER 12 HA SER 12 -13.703 12.710 -18.009 80 HB2 SER 12 HB2 SER 12 -13.797 11.149 -19.899 81 HB3 SER 12 HB3 SER 12 -12.305 12.101 -19.919 82 HG SER 12 HG SER 12 -11.914 9.864 -20.335 83 H GLY 58 H GLY 58 -15.633 11.311 -18.225 84 HA2 GLY 58 HA2 GLY 58 -17.204 9.866 -17.299 85 HA3 GLY 58 HA3 GLY 58 -15.887 8.851 -16.711 86 H ALA 59 H ALA 59 -16.813 8.517 -14.661 87 HA ALA 59 HA ALA 59 -17.684 10.651 -12.930 88 HB1 ALA 59 HB1 ALA 59 -16.920 7.772 -12.304 89 HB2 ALA 59 HB2 ALA 59 -17.792 8.880 -11.225 90 HB3 ALA 59 HB3 ALA 59 -18.543 8.358 -12.746 91 H LEU 60 H LEU 60 -16.681 11.644 -11.212 92 HA LEU 60 HA LEU 60 -13.747 11.759 -11.195 93 HB2 LEU 60 HB2 LEU 60 -16.008 13.381 -10.006 94 HB3 LEU 60 HB3 LEU 60 -14.421 13.486 -9.274 95 HG LEU 60 HG LEU 60 -13.419 14.059 -11.489 96 HD11 LEU 60 HD11 LEU 60 -16.327 14.321 -12.369 97 HD12 LEU 60 HD12 LEU 60 -14.931 14.985 -13.244 98 HD13 LEU 60 HD13 LEU 60 -15.097 13.239 -13.065 99 HD21 LEU 60 HD21 LEU 60 -13.985 15.773 -9.804 100 HD22 LEU 60 HD22 LEU 60 -14.216 16.395 -11.444 101 HD23 LEU 60 HD23 LEU 60 -15.625 15.906 -10.477 102 H ALA 61 H ALA 61 -12.862 12.112 -8.799 103 HA ALA 61 HA ALA 61 -12.248 9.569 -7.965 104 HB1 ALA 61 HB1 ALA 61 -12.144 12.168 -6.373 105 HB2 ALA 61 HB2 ALA 61 -11.280 10.677 -5.961 106 HB3 ALA 61 HB3 ALA 61 -10.879 11.537 -7.454 107 H ALA 62 H ALA 62 -12.860 8.104 -6.520 108 HA ALA 62 HA ALA 62 -15.134 8.675 -4.713 109 HB1 ALA 62 HB1 ALA 62 -14.105 6.005 -5.790 110 HB2 ALA 62 HB2 ALA 62 -15.556 6.230 -4.798 111 HB3 ALA 62 HB3 ALA 62 -15.502 6.899 -6.441 112 H LEU 63 H LEU 63 -15.251 7.773 -2.652 113 HA LEU 63 HA LEU 63 -12.628 7.286 -1.314 114 HB2 LEU 63 HB2 LEU 63 -15.042 8.763 -0.197 115 HB3 LEU 63 HB3 LEU 63 -13.530 8.458 0.650 116 HG LEU 63 HG LEU 63 -13.862 10.255 -1.797 117 HD11 LEU 63 HD11 LEU 63 -13.331 10.935 1.125 118 HD12 LEU 63 HD12 LEU 63 -13.449 12.084 -0.225 119 HD13 LEU 63 HD13 LEU 63 -14.875 11.160 0.272 120 HD21 LEU 63 HD21 LEU 63 -11.607 9.312 -1.764 121 HD22 LEU 63 HD22 LEU 63 -11.552 11.003 -1.235 122 HD23 LEU 63 HD23 LEU 63 -11.436 9.701 -0.041 123 H HIS 64 H HIS 64 -12.581 5.826 0.367 124 HA HIS 64 HA HIS 64 -14.692 3.814 0.701 125 HB2 HIS 64 HB2 HIS 64 -12.196 4.545 2.247 126 HB3 HIS 64 HB3 HIS 64 -13.265 3.232 2.731 127 HD2 HIS 64 HD2 HIS 64 -10.161 3.780 0.900 128 HE1 HIS 64 HE1 HIS 64 -11.669 0.128 -0.688 129 HE2 HIS 64 HE2 HIS 64 -9.623 1.618 -0.518 130 H ALA 65 H ALA 65 -16.293 3.771 2.268 131 HA ALA 65 HA ALA 65 -16.846 6.368 3.589 132 HB1 ALA 65 HB1 ALA 65 -18.643 3.998 2.955 133 HB2 ALA 65 HB2 ALA 65 -19.160 5.589 3.552 134 HB3 ALA 65 HB3 ALA 65 -18.428 5.449 1.945 135 H GLU 66 H GLU 66 -15.865 3.191 4.590 136 HA GLU 66 HA GLU 66 -16.655 3.725 7.424 137 HB2 GLU 66 HB2 GLU 66 -17.178 1.171 5.847 138 HB3 GLU 66 HB3 GLU 66 -17.365 1.344 7.595 139 HG2 GLU 66 HG2 GLU 66 -19.067 3.140 7.215 140 HG3 GLU 66 HG3 GLU 66 -18.962 2.839 5.478 141 H GLY 67 H GLY 67 -15.569 2.409 9.014 142 HA2 GLY 67 HA2 GLY 67 -13.787 1.303 9.981 143 HA3 GLY 67 HA3 GLY 67 -13.370 0.693 8.385 144 HA PRO 68 HA PRO 68 -9.941 3.498 9.971 145 HB2 PRO 68 HB2 PRO 68 -7.886 1.982 8.844 146 HB3 PRO 68 HB3 PRO 68 -8.552 1.755 10.492 147 HG2 PRO 68 HG2 PRO 68 -9.248 0.267 7.945 148 HG3 PRO 68 HG3 PRO 68 -8.919 -0.409 9.573 149 HD2 PRO 68 HD2 PRO 68 -11.436 -0.078 8.708 150 HD3 PRO 68 HD3 PRO 68 -11.022 0.330 10.399 151 H LEU 69 H LEU 69 -10.723 2.211 6.818 152 HA LEU 69 HA LEU 69 -9.091 4.116 5.299 153 HB2 LEU 69 HB2 LEU 69 -10.678 1.643 4.837 154 HB3 LEU 69 HB3 LEU 69 -10.765 2.806 3.528 155 HG LEU 69 HG LEU 69 -8.411 2.758 3.148 156 HD11 LEU 69 HD11 LEU 69 -8.183 1.007 5.632 157 HD12 LEU 69 HD12 LEU 69 -6.885 1.269 4.449 158 HD13 LEU 69 HD13 LEU 69 -7.481 2.625 5.398 159 HD21 LEU 69 HD21 LEU 69 -9.752 0.846 2.252 160 HD22 LEU 69 HD22 LEU 69 -8.068 0.394 2.573 161 HD23 LEU 69 HD23 LEU 69 -9.350 -0.096 3.697 162 H ALA 70 H ALA 70 -12.074 4.489 6.884 163 HA ALA 70 HA ALA 70 -13.688 5.770 5.016 164 HB1 ALA 70 HB1 ALA 70 -13.325 6.447 7.960 165 HB2 ALA 70 HB2 ALA 70 -14.705 6.921 6.943 166 HB3 ALA 70 HB3 ALA 70 -14.408 5.210 7.288 167 H GLY 71 H GLY 71 -13.562 7.553 3.829 168 HA2 GLY 71 HA2 GLY 71 -13.157 9.842 3.375 169 HA3 GLY 71 HA3 GLY 71 -11.988 9.914 4.704 170 H LEU 72 H LEU 72 -11.082 7.196 3.023 171 HA LEU 72 HA LEU 72 -8.990 8.771 1.596 172 HB2 LEU 72 HB2 LEU 72 -8.981 5.898 2.533 173 HB3 LEU 72 HB3 LEU 72 -7.607 6.831 1.938 174 HG LEU 72 HG LEU 72 -9.030 7.179 4.589 175 HD11 LEU 72 HD11 LEU 72 -6.151 6.478 3.884 176 HD12 LEU 72 HD12 LEU 72 -6.877 6.528 5.507 177 HD13 LEU 72 HD13 LEU 72 -7.398 5.303 4.334 178 HD21 LEU 72 HD21 LEU 72 -8.439 9.425 3.833 179 HD22 LEU 72 HD22 LEU 72 -7.317 8.909 5.089 180 HD23 LEU 72 HD23 LEU 72 -6.803 8.880 3.390 181 HA PRO 73 HA PRO 73 -10.215 7.508 -2.490 182 HB2 PRO 73 HB2 PRO 73 -7.819 6.873 -3.713 183 HB3 PRO 73 HB3 PRO 73 -8.381 8.539 -3.410 184 HG2 PRO 73 HG2 PRO 73 -6.509 6.839 -1.730 185 HG3 PRO 73 HG3 PRO 73 -6.280 8.528 -2.253 186 HD2 PRO 73 HD2 PRO 73 -7.178 7.968 0.204 187 HD3 PRO 73 HD3 PRO 73 -7.927 9.300 -0.699 188 H VAL 74 H VAL 74 -10.868 5.718 -3.632 189 HA VAL 74 HA VAL 74 -10.393 3.114 -2.371 190 HB VAL 74 HB VAL 74 -12.059 3.766 -4.826 191 HG11 VAL 74 HG11 VAL 74 -12.002 1.319 -3.021 192 HG12 VAL 74 HG12 VAL 74 -13.192 1.639 -4.307 193 HG13 VAL 74 HG13 VAL 74 -11.497 1.380 -4.729 194 HG21 VAL 74 HG21 VAL 74 -12.911 4.944 -2.830 195 HG22 VAL 74 HG22 VAL 74 -13.978 3.611 -3.270 196 HG23 VAL 74 HG23 VAL 74 -12.857 3.424 -1.904 197 H THR 75 H THR 75 -9.459 4.700 -5.410 198 HA THR 75 HA THR 75 -7.226 2.752 -5.709 199 HB THR 75 HB THR 75 -8.950 1.873 -7.103 200 HG1 THR 75 HG1 THR 75 -7.788 1.807 -8.983 201 HG21 THR 75 HG21 THR 75 -9.055 4.676 -8.221 202 HG22 THR 75 HG22 THR 75 -9.668 3.258 -9.124 203 HG23 THR 75 HG23 THR 75 -10.358 3.683 -7.548 204 H ARG 76 H ARG 76 -5.661 3.458 -7.454 205 HA ARG 76 HA ARG 76 -4.432 5.935 -6.707 206 HB2 ARG 76 HB2 ARG 76 -3.249 3.965 -7.680 207 HB3 ARG 76 HB3 ARG 76 -4.042 4.252 -9.232 208 HG2 ARG 76 HG2 ARG 76 -2.908 6.519 -9.336 209 HG3 ARG 76 HG3 ARG 76 -2.134 6.159 -7.794 210 HD2 ARG 76 HD2 ARG 76 -0.547 5.761 -9.499 211 HD3 ARG 76 HD3 ARG 76 -1.026 4.170 -8.882 212 HE ARG 76 HE ARG 76 -2.712 4.629 -11.063 213 HH11 ARG 76 HH11 ARG 76 0.781 4.474 -10.680 214 HH12 ARG 76 HH12 ARG 76 1.019 3.992 -12.343 215 HH21 ARG 76 HH21 ARG 76 -2.326 3.994 -13.163 216 HH22 ARG 76 HH22 ARG 76 -0.698 3.715 -13.699 217 H SER 77 H SER 77 -6.617 5.198 -9.444 218 HA SER 77 HA SER 77 -6.518 7.714 -10.738 219 HB2 SER 77 HB2 SER 77 -8.926 5.878 -10.409 220 HB3 SER 77 HB3 SER 77 -8.712 7.130 -11.651 221 HG SER 77 HG SER 77 -8.120 5.044 -12.439 222 H ASP 78 H ASP 78 -8.472 6.722 -7.885 223 HA ASP 78 HA ASP 78 -9.872 9.257 -7.673 224 HB2 ASP 78 HB2 ASP 78 -9.302 7.314 -5.418 225 HB3 ASP 78 HB3 ASP 78 -10.565 8.538 -5.487 226 H ALA 79 H ALA 79 -6.954 7.848 -6.076 227 HA ALA 79 HA ALA 79 -6.356 10.097 -4.439 228 HB1 ALA 79 HB1 ALA 79 -4.361 8.203 -5.772 229 HB2 ALA 79 HB2 ALA 79 -4.142 9.125 -4.274 230 HB3 ALA 79 HB3 ALA 79 -5.309 7.790 -4.328 231 H ARG 80 H ARG 80 -5.317 9.426 -7.791 232 HA ARG 80 HA ARG 80 -3.751 11.774 -8.212 233 HB2 ARG 80 HB2 ARG 80 -3.859 9.612 -9.590 234 HB3 ARG 80 HB3 ARG 80 -5.359 10.221 -10.297 235 HG2 ARG 80 HG2 ARG 80 -3.997 12.290 -11.023 236 HG3 ARG 80 HG3 ARG 80 -2.562 11.413 -10.464 237 HD2 ARG 80 HD2 ARG 80 -2.654 11.007 -12.779 238 HD3 ARG 80 HD3 ARG 80 -3.231 9.526 -12.039 239 HE ARG 80 HE ARG 80 -5.338 9.867 -12.961 240 HH11 ARG 80 HH11 ARG 80 -3.457 12.755 -13.666 241 HH12 ARG 80 HH12 ARG 80 -4.825 13.575 -14.381 242 HH21 ARG 80 HH21 ARG 80 -6.937 10.874 -14.140 243 HH22 ARG 80 HH22 ARG 80 -6.631 12.431 -14.863 244 H VAL 81 H VAL 81 -7.237 11.187 -8.975 245 HA VAL 81 HA VAL 81 -7.600 13.934 -9.868 246 HB VAL 81 HB VAL 81 -9.569 11.740 -9.181 247 HG11 VAL 81 HG11 VAL 81 -10.169 14.528 -10.277 248 HG12 VAL 81 HG12 VAL 81 -11.307 13.168 -10.292 249 HG13 VAL 81 HG13 VAL 81 -10.773 13.847 -8.749 250 HG21 VAL 81 HG21 VAL 81 -8.253 11.446 -11.257 251 HG22 VAL 81 HG22 VAL 81 -9.958 11.761 -11.615 252 HG23 VAL 81 HG23 VAL 81 -8.764 13.059 -11.811 253 H LEU 82 H LEU 82 -8.009 12.426 -6.595 254 HA LEU 82 HA LEU 82 -9.117 14.786 -5.389 255 HB2 LEU 82 HB2 LEU 82 -7.395 12.526 -4.319 256 HB3 LEU 82 HB3 LEU 82 -8.035 13.786 -3.278 257 HG LEU 82 HG LEU 82 -9.832 12.049 -4.994 258 HD11 LEU 82 HD11 LEU 82 -9.184 11.645 -2.054 259 HD12 LEU 82 HD12 LEU 82 -10.169 10.605 -3.127 260 HD13 LEU 82 HD13 LEU 82 -8.425 10.734 -3.370 261 HD21 LEU 82 HD21 LEU 82 -10.912 14.107 -4.206 262 HD22 LEU 82 HD22 LEU 82 -11.578 12.691 -3.378 263 HD23 LEU 82 HD23 LEU 82 -10.413 13.741 -2.539 264 H ILE 83 H ILE 83 -5.647 13.805 -5.792 265 HA ILE 83 HA ILE 83 -4.627 16.235 -4.607 266 HB ILE 83 HB ILE 83 -3.335 14.295 -6.550 267 HG12 ILE 83 HG12 ILE 83 -2.841 14.588 -3.551 268 HG13 ILE 83 HG13 ILE 83 -4.038 13.471 -4.194 269 HG21 ILE 83 HG21 ILE 83 -2.135 16.605 -4.937 270 HG22 ILE 83 HG22 ILE 83 -1.164 15.354 -5.717 271 HG23 ILE 83 HG23 ILE 83 -2.136 16.434 -6.706 272 HD11 ILE 83 HD11 ILE 83 -1.042 13.355 -4.661 273 HD12 ILE 83 HD12 ILE 83 -2.077 12.186 -3.830 274 HD13 ILE 83 HD13 ILE 83 -2.230 12.392 -5.580 275 H PHE 84 H PHE 84 -5.434 15.395 -8.021 276 HA PHE 84 HA PHE 84 -4.570 17.855 -9.139 277 HB2 PHE 84 HB2 PHE 84 -5.232 15.874 -10.479 278 HB3 PHE 84 HB3 PHE 84 -6.898 16.083 -9.975 279 HD1 PHE 84 HD1 PHE 84 -4.272 18.486 -11.234 280 HD2 PHE 84 HD2 PHE 84 -8.230 16.859 -11.757 281 HE1 PHE 84 HE1 PHE 84 -4.651 20.050 -13.096 282 HE2 PHE 84 HE2 PHE 84 -8.613 18.434 -13.635 283 HZ PHE 84 HZ PHE 84 -6.827 20.026 -14.321 284 H ASN 85 H ASN 85 -7.860 16.994 -7.912 285 HA ASN 85 HA ASN 85 -8.994 19.568 -8.352 286 HB2 ASN 85 HB2 ASN 85 -10.309 17.503 -8.000 287 HB3 ASN 85 HB3 ASN 85 -9.691 17.365 -6.350 288 HD21 ASN 85 HD22 ASN 85 -11.679 19.467 -8.495 289 HD22 ASN 85 HD21 ASN 85 -12.597 20.154 -7.166 290 H GLU 86 H GLU 86 -7.243 18.245 -5.502 291 HA GLU 86 HA GLU 86 -7.514 20.490 -3.779 292 HB2 GLU 86 HB2 GLU 86 -6.629 18.278 -3.099 293 HB3 GLU 86 HB3 GLU 86 -5.179 18.560 -4.066 294 HG2 GLU 86 HG2 GLU 86 -4.728 20.612 -2.642 295 HG3 GLU 86 HG3 GLU 86 -6.075 20.114 -1.613 296 H TRP 87 H TRP 87 -4.706 19.785 -6.078 297 HA TRP 87 HA TRP 87 -3.486 22.299 -5.777 298 HB2 TRP 87 HB2 TRP 87 -2.346 20.532 -6.948 299 HB3 TRP 87 HB3 TRP 87 -3.649 20.387 -8.132 300 HD1 TRP 87 HD1 TRP 87 -0.865 22.809 -7.095 301 HE1 TRP 87 HE1 TRP 87 -0.366 24.459 -9.000 302 HE3 TRP 87 HE3 TRP 87 -4.587 21.436 -10.337 303 HZ2 TRP 87 HZ2 TRP 87 -1.415 25.061 -11.615 304 HZ3 TRP 87 HZ3 TRP 87 -4.859 22.621 -12.498 305 HH2 TRP 87 HH2 TRP 87 -3.291 24.434 -13.145 306 H GLU 88 H GLU 88 -6.086 21.355 -8.095 307 HA GLU 88 HA GLU 88 -6.034 23.782 -9.519 308 HB2 GLU 88 HB2 GLU 88 -7.126 21.491 -10.105 309 HB3 GLU 88 HB3 GLU 88 -8.519 22.072 -9.188 310 HG2 GLU 88 HG2 GLU 88 -7.943 24.220 -10.851 311 HG3 GLU 88 HG3 GLU 88 -7.420 22.880 -11.840 312 H GLU 89 H GLU 89 -8.194 22.846 -6.779 313 HA GLU 89 HA GLU 89 -9.640 25.329 -6.696 314 HB2 GLU 89 HB2 GLU 89 -10.400 23.199 -5.677 315 HB3 GLU 89 HB3 GLU 89 -9.095 23.300 -4.485 316 HG2 GLU 89 HG2 GLU 89 -10.047 25.399 -3.598 317 HG3 GLU 89 HG3 GLU 89 -11.292 25.383 -4.850 318 H ARG 90 H ARG 90 -6.723 24.198 -4.889 319 HA ARG 90 HA ARG 90 -6.322 26.605 -3.346 320 HB2 ARG 90 HB2 ARG 90 -4.339 24.619 -4.497 321 HB3 ARG 90 HB3 ARG 90 -3.916 25.859 -3.312 322 HG2 ARG 90 HG2 ARG 90 -6.069 23.819 -2.694 323 HG3 ARG 90 HG3 ARG 90 -4.362 23.393 -2.650 324 HD2 ARG 90 HD2 ARG 90 -5.023 23.969 -0.410 325 HD3 ARG 90 HD3 ARG 90 -3.973 25.252 -1.010 326 HE ARG 90 HE ARG 90 -6.980 25.444 -1.058 327 HH11 ARG 90 HH11 ARG 90 -3.980 26.872 0.085 328 HH12 ARG 90 HH12 ARG 90 -4.775 28.340 0.583 329 HH21 ARG 90 HH21 ARG 90 -7.922 27.316 -0.330 330 HH22 ARG 90 HH22 ARG 90 -6.939 28.565 0.378 331 H LYS 91 H LYS 91 -4.885 25.620 -6.434 332 HA LYS 91 HA LYS 91 -3.521 28.019 -7.078 333 HB2 LYS 91 HB2 LYS 91 -3.178 25.950 -8.293 334 HB3 LYS 91 HB3 LYS 91 -4.792 26.010 -8.994 335 HG2 LYS 91 HG2 LYS 91 -2.961 28.372 -9.447 336 HG3 LYS 91 HG3 LYS 91 -2.577 26.865 -10.267 337 HD2 LYS 91 HD2 LYS 91 -4.711 26.801 -11.411 338 HD3 LYS 91 HD3 LYS 91 -5.339 28.128 -10.448 339 HE2 LYS 91 HE2 LYS 91 -4.837 29.071 -12.539 340 HE3 LYS 91 HE3 LYS 91 -3.609 29.660 -11.424 341 HZ1 LYS 91 HZ1 LYS 91 -3.228 27.430 -13.380 342 HZ2 LYS 91 HZ2 LYS 91 -2.665 28.945 -13.565 343 HZ3 LYS 91 HZ3 LYS 91 -2.054 28.009 -12.380 344 H LYS 92 H LYS 92 -6.964 27.273 -7.743 345 HA LYS 92 HA LYS 92 -7.504 29.804 -9.048 346 HB2 LYS 92 HB2 LYS 92 -9.241 27.641 -7.824 347 HB3 LYS 92 HB3 LYS 92 -9.934 29.121 -8.506 348 HG2 LYS 92 HG2 LYS 92 -9.113 28.676 -10.691 349 HG3 LYS 92 HG3 LYS 92 -7.971 27.464 -10.127 350 HD2 LYS 92 HD2 LYS 92 -9.774 26.384 -11.284 351 HD3 LYS 92 HD3 LYS 92 -9.781 25.917 -9.579 352 HE2 LYS 92 HE2 LYS 92 -11.645 27.460 -9.125 353 HE3 LYS 92 HE3 LYS 92 -11.603 28.043 -10.796 354 HZ1 LYS 92 HZ1 LYS 92 -12.156 25.210 -10.045 355 HZ2 LYS 92 HZ2 LYS 92 -13.318 26.303 -10.433 356 HZ3 LYS 92 HZ3 LYS 92 -12.223 25.825 -11.548 357 H SER 93 H SER 93 -7.651 28.884 -5.594 358 HA SER 93 HA SER 93 -8.592 31.552 -4.811 359 HB2 SER 93 HB2 SER 93 -7.434 29.256 -3.202 360 HB3 SER 93 HB3 SER 93 -8.069 30.765 -2.513 361 HG SER 93 HG SER 93 -9.688 29.130 -2.557 362 H ASP 94 H ASP 94 -5.409 30.065 -5.150 363 HA ASP 94 HA ASP 94 -3.965 32.537 -4.396 364 HB2 ASP 94 HB2 ASP 94 -3.670 29.795 -3.117 365 HB3 ASP 94 HB3 ASP 94 -2.447 31.055 -3.028 366 HA PRO 95 HA PRO 95 -2.778 30.811 -8.325 367 HB2 PRO 95 HB2 PRO 95 -1.521 32.952 -9.484 368 HB3 PRO 95 HB3 PRO 95 -3.259 32.942 -9.072 369 HG2 PRO 95 HG2 PRO 95 -0.973 33.959 -7.319 370 HG3 PRO 95 HG3 PRO 95 -2.410 34.890 -7.888 371 HD2 PRO 95 HD2 PRO 95 -2.442 33.716 -5.490 372 HD3 PRO 95 HD3 PRO 95 -3.882 33.513 -6.543 373 H TRP 96 H TRP 96 -0.475 30.889 -5.986 374 HA TRP 96 HA TRP 96 1.919 30.672 -7.696 375 HB2 TRP 96 HB2 TRP 96 3.143 30.722 -5.673 376 HB3 TRP 96 HB3 TRP 96 1.852 31.891 -5.477 377 HD1 TRP 96 HD1 TRP 96 -0.274 31.028 -3.939 378 HE1 TRP 96 HE1 TRP 96 -0.360 29.442 -1.911 379 HE3 TRP 96 HE3 TRP 96 4.202 28.677 -4.602 380 HZ2 TRP 96 HZ2 TRP 96 1.287 27.351 -0.780 381 HZ3 TRP 96 HZ3 TRP 96 4.912 26.848 -3.062 382 HH2 TRP 96 HH2 TRP 96 3.465 26.185 -1.153 383 H LEU 97 H LEU 97 -0.288 28.355 -6.207 384 HA LEU 97 HA LEU 97 1.620 26.649 -5.254 385 HB2 LEU 97 HB2 LEU 97 -0.786 26.699 -4.626 386 HB3 LEU 97 HB3 LEU 97 -1.180 25.892 -6.152 387 HG LEU 97 HG LEU 97 0.177 23.915 -5.433 388 HD11 LEU 97 HD11 LEU 97 0.360 25.389 -2.770 389 HD12 LEU 97 HD12 LEU 97 0.786 23.688 -3.041 390 HD13 LEU 97 HD13 LEU 97 1.734 24.961 -3.809 391 HD21 LEU 97 HD21 LEU 97 -2.245 24.099 -5.075 392 HD22 LEU 97 HD22 LEU 97 -1.453 23.092 -3.840 393 HD23 LEU 97 HD23 LEU 97 -1.929 24.762 -3.446 394 H ARG 98 H ARG 98 2.704 24.793 -5.921 395 HA ARG 98 HA ARG 98 2.609 24.047 -8.797 396 HB2 ARG 98 HB2 ARG 98 4.541 23.115 -6.649 397 HB3 ARG 98 HB3 ARG 98 4.645 22.814 -8.389 398 HG2 ARG 98 HG2 ARG 98 4.836 25.309 -8.756 399 HG3 ARG 98 HG3 ARG 98 4.879 25.525 -6.999 400 HD2 ARG 98 HD2 ARG 98 6.878 24.060 -6.874 401 HD3 ARG 98 HD3 ARG 98 6.875 23.926 -8.647 402 HE ARG 98 HE ARG 98 6.857 26.678 -8.065 403 HH11 ARG 98 HH11 ARG 98 9.095 24.029 -7.535 404 HH12 ARG 98 HH12 ARG 98 10.481 25.081 -7.487 405 HH21 ARG 98 HH21 ARG 98 8.672 27.973 -7.971 406 HH22 ARG 98 HH22 ARG 98 10.237 27.259 -7.736 407 H LEU 99 H LEU 99 1.956 22.110 -9.558 408 HA LEU 99 HA LEU 99 0.399 20.331 -7.783 409 HB2 LEU 99 HB2 LEU 99 -0.383 21.162 -10.047 410 HB3 LEU 99 HB3 LEU 99 0.880 20.214 -10.779 411 HG LEU 99 HG LEU 99 -1.542 19.083 -9.215 412 HD11 LEU 99 HD11 LEU 99 -0.750 19.116 -12.156 413 HD12 LEU 99 HD12 LEU 99 -2.131 18.253 -11.483 414 HD13 LEU 99 HD13 LEU 99 -2.083 20.028 -11.426 415 HD21 LEU 99 HD21 LEU 99 0.272 17.504 -8.950 416 HD22 LEU 99 HD22 LEU 99 -0.697 16.924 -10.296 417 HD23 LEU 99 HD23 LEU 99 0.830 17.745 -10.629 418 H ASP 100 H ASP 100 1.495 18.759 -6.701 419 HA ASP 100 HA ASP 100 3.661 17.265 -8.134 420 HB2 ASP 100 HB2 ASP 100 3.519 17.925 -5.174 421 HB3 ASP 100 HB3 ASP 100 4.630 16.782 -5.906 422 H MET 101 H MET 101 2.839 15.386 -8.764 423 HA MET 101 HA MET 101 2.193 13.541 -6.677 424 HB2 MET 101 HB2 MET 101 0.197 12.574 -8.128 425 HB3 MET 101 HB3 MET 101 -0.040 13.694 -6.810 426 HG2 MET 101 HG2 MET 101 -0.489 15.505 -8.242 427 HG3 MET 101 HG3 MET 101 0.156 14.690 -9.669 428 HE1 MET 101 HE1 MET 101 -1.797 14.993 -11.219 429 HE2 MET 101 HE2 MET 101 -3.486 14.579 -10.875 430 HE3 MET 101 HE3 MET 101 -2.745 15.972 -10.061 431 H SER 102 H SER 102 2.680 11.568 -7.052 432 HA SER 102 HA SER 102 3.112 10.270 -9.591 433 HB2 SER 102 HB2 SER 102 5.271 11.506 -9.318 434 HB3 SER 102 HB3 SER 102 5.496 10.756 -7.730 435 HG SER 102 HG SER 102 6.596 9.673 -9.516 436 H ASP 103 H ASP 103 3.847 7.914 -8.985 437 HA ASP 103 HA ASP 103 2.004 6.724 -7.233 438 HB2 ASP 103 HB2 ASP 103 4.738 5.751 -8.154 439 HB3 ASP 103 HB3 ASP 103 3.557 4.737 -7.333 440 H LYS 104 H LYS 104 5.334 7.757 -6.482 441 HA LYS 104 HA LYS 104 5.440 6.792 -3.766 442 HB2 LYS 104 HB2 LYS 104 6.907 9.032 -5.236 443 HB3 LYS 104 HB3 LYS 104 7.164 8.702 -3.529 444 HG2 LYS 104 HG2 LYS 104 8.897 7.637 -4.738 445 HG3 LYS 104 HG3 LYS 104 7.868 6.399 -4.018 446 HD2 LYS 104 HD2 LYS 104 6.889 5.866 -6.196 447 HD3 LYS 104 HD3 LYS 104 7.649 7.292 -6.924 448 HE2 LYS 104 HE2 LYS 104 8.904 5.386 -7.619 449 HE3 LYS 104 HE3 LYS 104 9.897 6.320 -6.501 450 HZ1 LYS 104 HZ1 LYS 104 8.386 3.848 -5.781 451 HZ2 LYS 104 HZ2 LYS 104 9.994 3.926 -6.036 452 HZ3 LYS 104 HZ3 LYS 104 9.347 4.691 -4.753 453 H ALA 105 H ALA 105 4.275 9.929 -5.065 454 HA ALA 105 HA ALA 105 3.675 11.082 -2.480 455 HB1 ALA 105 HB1 ALA 105 2.478 11.755 -5.184 456 HB2 ALA 105 HB2 ALA 105 2.502 12.783 -3.740 457 HB3 ALA 105 HB3 ALA 105 4.021 12.406 -4.564 458 H ILE 106 H ILE 106 1.745 9.141 -4.782 459 HA ILE 106 HA ILE 106 -0.687 9.362 -3.185 460 HB ILE 106 HB ILE 106 0.151 7.586 -5.498 461 HG12 ILE 106 HG12 ILE 106 -1.885 8.676 -6.526 462 HG13 ILE 106 HG13 ILE 106 -2.065 9.651 -5.065 463 HG21 ILE 106 HG21 ILE 106 -2.427 7.300 -3.882 464 HG22 ILE 106 HG22 ILE 106 -2.169 6.625 -5.503 465 HG23 ILE 106 HG23 ILE 106 -1.190 6.057 -4.164 466 HD11 ILE 106 HD11 ILE 106 0.318 9.682 -6.932 467 HD12 ILE 106 HD12 ILE 106 -0.996 10.873 -6.910 468 HD13 ILE 106 HD13 ILE 106 0.105 10.751 -5.520 469 H PHE 107 H PHE 107 1.809 6.800 -3.399 470 HA PHE 107 HA PHE 107 0.563 5.209 -1.342 471 HB2 PHE 107 HB2 PHE 107 3.468 5.161 -2.200 472 HB3 PHE 107 HB3 PHE 107 2.571 3.898 -1.346 473 HD1 PHE 107 HD2 PHE 107 -0.015 4.218 -3.172 474 HD2 PHE 107 HD1 PHE 107 4.185 3.580 -3.911 475 HE1 PHE 107 HE2 PHE 107 -0.565 3.104 -5.283 476 HE2 PHE 107 HE1 PHE 107 3.622 2.415 -6.028 477 HZ PHE 107 HZ PHE 107 1.246 2.186 -6.736 478 H ARG 108 H ARG 108 2.774 7.952 -1.078 479 HA ARG 108 HA ARG 108 3.295 7.577 1.770 480 HB2 ARG 108 HB2 ARG 108 4.840 8.720 0.244 481 HB3 ARG 108 HB3 ARG 108 3.657 10.012 -0.021 482 HG2 ARG 108 HG2 ARG 108 3.814 10.683 2.334 483 HG3 ARG 108 HG3 ARG 108 4.810 9.267 2.704 484 HD2 ARG 108 HD2 ARG 108 6.228 11.227 2.544 485 HD3 ARG 108 HD3 ARG 108 6.590 10.103 1.232 486 HE ARG 108 HE ARG 108 4.755 12.448 0.822 487 HH11 ARG 108 HH11 ARG 108 7.791 10.927 -0.062 488 HH12 ARG 108 HH12 ARG 108 8.054 12.017 -1.394 489 HH21 ARG 108 HH21 ARG 108 5.158 13.807 -0.886 490 HH22 ARG 108 HH22 ARG 108 6.594 13.608 -1.841 491 H ARG 109 H ARG 109 0.982 9.661 -0.066 492 HA ARG 109 HA ARG 109 -0.287 10.753 2.327 493 HB2 ARG 109 HB2 ARG 109 -1.198 10.451 -0.568 494 HB3 ARG 109 HB3 ARG 109 -2.243 11.089 0.700 495 HG2 ARG 109 HG2 ARG 109 -0.544 12.876 1.180 496 HG3 ARG 109 HG3 ARG 109 0.370 12.326 -0.243 497 HD2 ARG 109 HD2 ARG 109 -1.617 12.712 -1.667 498 HD3 ARG 109 HD3 ARG 109 -2.559 13.168 -0.242 499 HE ARG 109 HE ARG 109 -0.122 14.737 -0.970 500 HH11 ARG 109 HH11 ARG 109 -3.627 14.771 -0.530 501 HH12 ARG 109 HH12 ARG 109 -3.712 16.499 -0.817 502 HH21 ARG 109 HH21 ARG 109 -0.381 16.953 -1.315 503 HH22 ARG 109 HH22 ARG 109 -2.001 17.631 -1.304 504 H TYR 110 H TYR 110 -0.992 7.956 0.284 505 HA TYR 110 HA TYR 110 -3.166 7.079 2.136 506 HB2 TYR 110 HB2 TYR 110 -3.053 6.743 -0.865 507 HB3 TYR 110 HB3 TYR 110 -4.410 6.469 0.221 508 HD1 TYR 110 HD2 TYR 110 -5.083 8.650 1.691 509 HD2 TYR 110 HD1 TYR 110 -3.045 8.706 -2.102 510 HE1 TYR 110 HE2 TYR 110 -5.930 10.957 1.266 511 HE2 TYR 110 HE1 TYR 110 -3.907 11.004 -2.539 512 HH TYR 110 HH TYR 110 -5.230 12.734 -1.773 513 HA PRO 111 HA PRO 111 0.223 3.996 2.033 514 HB2 PRO 111 HB2 PRO 111 -0.019 2.946 4.559 515 HB3 PRO 111 HB3 PRO 111 0.725 4.535 4.215 516 HG2 PRO 111 HG2 PRO 111 -2.143 3.980 5.043 517 HG3 PRO 111 HG3 PRO 111 -0.985 5.144 5.773 518 HD2 PRO 111 HD2 PRO 111 -2.798 5.951 3.948 519 HD3 PRO 111 HD3 PRO 111 -1.126 6.594 3.899 520 H HIS 112 H HIS 112 -3.177 3.381 2.278 521 HA HIS 112 HA HIS 112 -2.945 0.465 2.159 522 HB2 HIS 112 HB2 HIS 112 -5.325 0.482 2.129 523 HB3 HIS 112 HB3 HIS 112 -4.766 1.627 3.343 524 HD2 HIS 112 HD2 HIS 112 -7.095 1.345 0.481 525 HE1 HIS 112 HE1 HIS 112 -6.441 5.531 0.749 526 HE2 HIS 112 HE2 HIS 112 -7.881 3.756 -0.282 527 H LEU 113 H LEU 113 -2.505 2.878 -0.225 528 HA LEU 113 HA LEU 113 -3.648 1.300 -2.418 529 HB2 LEU 113 HB2 LEU 113 -2.102 3.898 -2.269 530 HB3 LEU 113 HB3 LEU 113 -2.330 3.080 -3.804 531 HG LEU 113 HG LEU 113 -3.956 4.894 -3.463 532 HD11 LEU 113 HD11 LEU 113 -5.318 2.177 -3.507 533 HD12 LEU 113 HD12 LEU 113 -5.989 3.728 -4.020 534 HD13 LEU 113 HD13 LEU 113 -4.611 3.018 -4.912 535 HD21 LEU 113 HD21 LEU 113 -4.199 4.578 -0.983 536 HD22 LEU 113 HD22 LEU 113 -5.732 4.744 -1.876 537 HD23 LEU 113 HD23 LEU 113 -5.189 3.151 -1.326 538 H ARG 114 H ARG 114 -0.375 1.753 -1.080 539 HA ARG 114 HA ARG 114 0.905 0.001 -3.035 540 HB2 ARG 114 HB2 ARG 114 2.797 -0.012 -1.384 541 HB3 ARG 114 HB3 ARG 114 2.369 1.542 -2.081 542 HG2 ARG 114 HG2 ARG 114 1.200 2.198 -0.018 543 HG3 ARG 114 HG3 ARG 114 1.539 0.618 0.712 544 HD2 ARG 114 HD2 ARG 114 3.775 1.083 1.041 545 HD3 ARG 114 HD3 ARG 114 3.876 2.192 -0.325 546 HE ARG 114 HE ARG 114 2.503 3.820 1.040 547 HH11 ARG 114 HH11 ARG 114 4.637 1.602 2.732 548 HH12 ARG 114 HH12 ARG 114 4.858 2.719 4.049 549 HH21 ARG 114 HH21 ARG 114 2.825 5.147 2.666 550 HH22 ARG 114 HH22 ARG 114 3.838 4.696 4.022 Start of MODEL 3 1 H1 MET 1 H1 MET 1 10.280 47.066 -20.859 2 H2 MET 1 H2 MET 1 10.806 48.570 -21.210 3 H3 MET 1 H3 MET 1 9.532 48.370 -20.208 4 HA MET 1 HA MET 1 12.317 47.527 -19.691 5 HB2 MET 1 HB2 MET 1 12.111 49.958 -19.556 6 HB3 MET 1 HB3 MET 1 10.788 49.826 -18.401 7 HG2 MET 1 HG2 MET 1 12.890 50.370 -17.293 8 HG3 MET 1 HG3 MET 1 12.291 48.813 -16.743 9 HE1 MET 1 HE1 MET 1 14.552 48.188 -15.616 10 HE2 MET 1 HE2 MET 1 16.135 48.321 -16.411 11 HE3 MET 1 HE3 MET 1 15.189 49.787 -16.071 12 H ARG 2 H ARG 2 9.389 48.155 -17.618 13 HA ARG 2 HA ARG 2 9.706 45.460 -16.391 14 HB2 ARG 2 HB2 ARG 2 9.900 46.389 -14.152 15 HB3 ARG 2 HB3 ARG 2 11.222 46.965 -15.157 16 HG2 ARG 2 HG2 ARG 2 10.059 49.151 -15.451 17 HG3 ARG 2 HG3 ARG 2 8.716 48.570 -14.453 18 HD2 ARG 2 HD2 ARG 2 10.289 48.282 -12.534 19 HD3 ARG 2 HD3 ARG 2 11.609 48.861 -13.547 20 HE ARG 2 HE ARG 2 10.849 51.046 -13.377 21 HH11 ARG 2 HH11 ARG 2 8.389 49.004 -11.914 22 HH12 ARG 2 HH12 ARG 2 7.532 50.369 -11.255 23 HH21 ARG 2 HH21 ARG 2 9.706 52.726 -12.502 24 HH22 ARG 2 HH22 ARG 2 8.266 52.417 -11.576 25 H GLY 3 H GLY 3 8.041 45.017 -14.739 26 HA2 GLY 3 HA2 GLY 3 5.955 45.101 -13.772 27 HA3 GLY 3 HA3 GLY 3 5.700 46.684 -14.496 28 H SER 4 H SER 4 5.914 43.246 -15.574 29 HA SER 4 HA SER 4 3.200 43.456 -16.748 30 HB2 SER 4 HB2 SER 4 3.894 42.251 -18.779 31 HB3 SER 4 HB3 SER 4 4.613 43.862 -18.648 32 HG SER 4 HG SER 4 6.151 42.267 -19.302 33 H HIS 5 H HIS 5 1.957 41.676 -16.611 34 HA HIS 5 HA HIS 5 2.976 39.005 -16.014 35 HB2 HIS 5 HB2 HIS 5 3.045 39.942 -13.753 36 HB3 HIS 5 HB3 HIS 5 1.408 40.572 -13.924 37 HD2 HIS 5 HD2 HIS 5 -0.375 39.111 -12.785 38 HE1 HIS 5 HE1 HIS 5 1.441 35.265 -13.127 39 HE2 HIS 5 HE2 HIS 5 -0.584 36.540 -12.245 40 H HIS 6 H HIS 6 1.548 37.455 -16.634 41 HA HIS 6 HA HIS 6 -1.339 38.007 -16.917 42 HB2 HIS 6 HB2 HIS 6 0.378 37.012 -19.234 43 HB3 HIS 6 HB3 HIS 6 -1.381 37.014 -19.202 44 HD2 HIS 6 HD2 HIS 6 -2.614 39.502 -19.144 45 HE1 HIS 6 HE1 HIS 6 0.712 41.592 -20.809 46 HE2 HIS 6 HE2 HIS 6 -1.772 41.734 -20.268 47 H HIS 7 H HIS 7 -2.513 36.287 -16.258 48 HA HIS 7 HA HIS 7 -1.648 33.532 -16.707 49 HB2 HIS 7 HB2 HIS 7 -0.476 34.001 -14.594 50 HB3 HIS 7 HB3 HIS 7 -1.974 34.589 -13.867 51 HD2 HIS 7 HD2 HIS 7 -3.241 32.832 -12.462 52 HE1 HIS 7 HE1 HIS 7 -1.958 29.246 -14.389 53 HE2 HIS 7 HE2 HIS 7 -3.390 30.202 -12.502 54 H HIS 8 H HIS 8 -3.322 32.054 -16.611 55 HA HIS 8 HA HIS 8 -5.841 32.618 -15.310 56 HB2 HIS 8 HB2 HIS 8 -6.290 33.719 -17.482 57 HB3 HIS 8 HB3 HIS 8 -5.846 32.238 -18.335 58 HD2 HIS 8 HD2 HIS 8 -7.789 30.573 -18.806 59 HE1 HIS 8 HE1 HIS 8 -10.586 31.828 -15.838 60 HE2 HIS 8 HE2 HIS 8 -10.182 30.208 -17.763 61 H HIS 9 H HIS 9 -7.090 30.734 -14.972 62 HA HIS 9 HA HIS 9 -6.358 28.226 -16.284 63 HB2 HIS 9 HB2 HIS 9 -4.889 28.296 -14.246 64 HB3 HIS 9 HB3 HIS 9 -6.338 28.373 -13.243 65 HD2 HIS 9 HD2 HIS 9 -4.450 26.011 -15.662 66 HE1 HIS 9 HE1 HIS 9 -7.243 23.593 -13.540 67 HE2 HIS 9 HE2 HIS 9 -5.316 23.566 -15.206 68 H HIS 10 H HIS 10 -8.116 26.945 -16.626 69 HA HIS 10 HA HIS 10 -10.762 27.897 -15.646 70 HB2 HIS 10 HB2 HIS 10 -9.987 25.917 -17.814 71 HB3 HIS 10 HB3 HIS 10 -11.639 26.210 -17.285 72 HD2 HIS 10 HD2 HIS 10 -9.253 27.351 -19.837 73 HE1 HIS 10 HE1 HIS 10 -12.219 30.413 -19.673 74 HE2 HIS 10 HE2 HIS 10 -10.279 29.468 -21.026 75 H GLY 11 H GLY 11 -9.321 24.627 -16.048 76 HA2 GLY 11 HA2 GLY 11 -9.356 22.769 -14.663 77 HA3 GLY 11 HA3 GLY 11 -10.036 23.744 -13.368 78 H SER 12 H SER 12 -10.664 21.144 -15.284 79 HA SER 12 HA SER 12 -13.532 21.113 -14.703 80 HB2 SER 12 HB2 SER 12 -13.296 22.417 -16.875 81 HB3 SER 12 HB3 SER 12 -12.643 20.942 -17.611 82 HG SER 12 HG SER 12 -14.944 21.194 -17.900 83 H GLY 58 H GLY 58 -14.544 19.061 -15.322 84 HA2 GLY 58 HA2 GLY 58 -14.715 16.836 -15.785 85 HA3 GLY 58 HA3 GLY 58 -13.096 16.900 -16.478 86 H ALA 59 H ALA 59 -12.955 17.800 -13.179 87 HA ALA 59 HA ALA 59 -11.542 15.378 -12.501 88 HB1 ALA 59 HB1 ALA 59 -12.381 17.741 -10.776 89 HB2 ALA 59 HB2 ALA 59 -11.219 16.479 -10.320 90 HB3 ALA 59 HB3 ALA 59 -10.850 17.575 -11.666 91 H LEU 60 H LEU 60 -12.240 13.558 -11.589 92 HA LEU 60 HA LEU 60 -14.538 13.507 -9.756 93 HB2 LEU 60 HB2 LEU 60 -15.658 11.694 -10.826 94 HB3 LEU 60 HB3 LEU 60 -15.488 13.036 -11.933 95 HG LEU 60 HG LEU 60 -13.258 11.603 -12.672 96 HD11 LEU 60 HD11 LEU 60 -15.324 9.508 -11.822 97 HD12 LEU 60 HD12 LEU 60 -13.858 9.213 -12.779 98 HD13 LEU 60 HD13 LEU 60 -13.720 9.711 -11.094 99 HD21 LEU 60 HD21 LEU 60 -15.059 12.416 -14.110 100 HD22 LEU 60 HD22 LEU 60 -14.693 10.718 -14.489 101 HD23 LEU 60 HD23 LEU 60 -16.137 11.131 -13.523 102 H ALA 61 H ALA 61 -14.473 11.827 -8.253 103 HA ALA 61 HA ALA 61 -12.431 9.760 -8.283 104 HB1 ALA 61 HB1 ALA 61 -12.171 12.076 -6.305 105 HB2 ALA 61 HB2 ALA 61 -11.249 10.559 -6.245 106 HB3 ALA 61 HB3 ALA 61 -11.021 11.675 -7.600 107 H ALA 62 H ALA 62 -12.718 8.203 -6.643 108 HA ALA 62 HA ALA 62 -15.091 8.549 -4.906 109 HB1 ALA 62 HB1 ALA 62 -13.966 5.968 -6.079 110 HB2 ALA 62 HB2 ALA 62 -15.441 6.113 -5.111 111 HB3 ALA 62 HB3 ALA 62 -15.367 6.859 -6.721 112 H LEU 63 H LEU 63 -15.262 7.608 -2.901 113 HA LEU 63 HA LEU 63 -12.681 7.235 -1.447 114 HB2 LEU 63 HB2 LEU 63 -15.193 8.645 -0.468 115 HB3 LEU 63 HB3 LEU 63 -13.713 8.410 0.453 116 HG LEU 63 HG LEU 63 -13.994 10.152 -2.038 117 HD11 LEU 63 HD11 LEU 63 -13.628 10.888 0.896 118 HD12 LEU 63 HD12 LEU 63 -13.716 12.017 -0.473 119 HD13 LEU 63 HD13 LEU 63 -15.134 11.052 -0.036 120 HD21 LEU 63 HD21 LEU 63 -11.710 9.288 -1.875 121 HD22 LEU 63 HD22 LEU 63 -11.741 10.990 -1.383 122 HD23 LEU 63 HD23 LEU 63 -11.637 9.718 -0.155 123 H HIS 64 H HIS 64 -12.642 5.835 0.271 124 HA HIS 64 HA HIS 64 -14.690 3.753 0.608 125 HB2 HIS 64 HB2 HIS 64 -12.220 4.577 2.148 126 HB3 HIS 64 HB3 HIS 64 -13.247 3.233 2.643 127 HD2 HIS 64 HD2 HIS 64 -10.152 3.870 0.822 128 HE1 HIS 64 HE1 HIS 64 -11.512 0.140 -0.707 129 HE2 HIS 64 HE2 HIS 64 -9.524 1.709 -0.552 130 H ALA 65 H ALA 65 -16.264 3.669 2.212 131 HA ALA 65 HA ALA 65 -16.889 6.264 3.512 132 HB1 ALA 65 HB1 ALA 65 -18.622 3.842 2.902 133 HB2 ALA 65 HB2 ALA 65 -19.180 5.421 3.493 134 HB3 ALA 65 HB3 ALA 65 -18.452 5.292 1.882 135 H GLU 66 H GLU 66 -15.800 3.130 4.537 136 HA GLU 66 HA GLU 66 -16.619 3.658 7.363 137 HB2 GLU 66 HB2 GLU 66 -17.044 1.077 5.803 138 HB3 GLU 66 HB3 GLU 66 -17.241 1.253 7.549 139 HG2 GLU 66 HG2 GLU 66 -19.002 2.989 7.155 140 HG3 GLU 66 HG3 GLU 66 -18.884 2.679 5.418 141 H GLY 67 H GLY 67 -15.501 2.397 8.972 142 HA2 GLY 67 HA2 GLY 67 -13.688 1.371 9.967 143 HA3 GLY 67 HA3 GLY 67 -13.238 0.755 8.381 144 HA PRO 68 HA PRO 68 -9.908 3.703 9.918 145 HB2 PRO 68 HB2 PRO 68 -7.806 2.250 8.798 146 HB3 PRO 68 HB3 PRO 68 -8.457 2.016 10.453 147 HG2 PRO 68 HG2 PRO 68 -9.113 0.478 7.925 148 HG3 PRO 68 HG3 PRO 68 -8.746 -0.170 9.559 149 HD2 PRO 68 HD2 PRO 68 -11.280 0.058 8.705 150 HD3 PRO 68 HD3 PRO 68 -10.870 0.498 10.391 151 H LEU 69 H LEU 69 -10.678 2.349 6.788 152 HA LEU 69 HA LEU 69 -9.135 4.308 5.241 153 HB2 LEU 69 HB2 LEU 69 -10.590 1.753 4.805 154 HB3 LEU 69 HB3 LEU 69 -10.739 2.897 3.485 155 HG LEU 69 HG LEU 69 -8.385 2.967 3.103 156 HD11 LEU 69 HD11 LEU 69 -8.061 1.251 5.601 157 HD12 LEU 69 HD12 LEU 69 -6.780 1.577 4.413 158 HD13 LEU 69 HD13 LEU 69 -7.450 2.904 5.354 159 HD21 LEU 69 HD21 LEU 69 -9.622 0.980 2.226 160 HD22 LEU 69 HD22 LEU 69 -7.917 0.615 2.553 161 HD23 LEU 69 HD23 LEU 69 -9.178 0.074 3.680 162 H ALA 70 H ALA 70 -12.110 4.579 6.844 163 HA ALA 70 HA ALA 70 -13.791 5.777 4.967 164 HB1 ALA 70 HB1 ALA 70 -13.425 6.502 7.900 165 HB2 ALA 70 HB2 ALA 70 -14.830 6.914 6.893 166 HB3 ALA 70 HB3 ALA 70 -14.469 5.218 7.256 167 H GLY 71 H GLY 71 -13.731 7.553 3.762 168 HA2 GLY 71 HA2 GLY 71 -13.409 9.842 3.268 169 HA3 GLY 71 HA3 GLY 71 -12.255 9.983 4.607 170 H LEU 72 H LEU 72 -11.236 7.277 2.975 171 HA LEU 72 HA LEU 72 -9.176 8.899 1.559 172 HB2 LEU 72 HB2 LEU 72 -9.104 6.034 2.517 173 HB3 LEU 72 HB3 LEU 72 -7.752 6.993 1.932 174 HG LEU 72 HG LEU 72 -9.203 7.316 4.570 175 HD11 LEU 72 HD11 LEU 72 -6.290 6.728 3.891 176 HD12 LEU 72 HD12 LEU 72 -7.045 6.723 5.501 177 HD13 LEU 72 HD13 LEU 72 -7.493 5.497 4.300 178 HD21 LEU 72 HD21 LEU 72 -8.683 9.577 3.808 179 HD22 LEU 72 HD22 LEU 72 -7.548 9.103 5.070 180 HD23 LEU 72 HD23 LEU 72 -7.028 9.088 3.371 181 HA PRO 73 HA PRO 73 -10.297 7.524 -2.544 182 HB2 PRO 73 HB2 PRO 73 -7.876 6.905 -3.698 183 HB3 PRO 73 HB3 PRO 73 -8.465 8.567 -3.447 184 HG2 PRO 73 HG2 PRO 73 -6.621 6.933 -1.671 185 HG3 PRO 73 HG3 PRO 73 -6.378 8.601 -2.246 186 HD2 PRO 73 HD2 PRO 73 -7.337 8.140 0.204 187 HD3 PRO 73 HD3 PRO 73 -8.092 9.417 -0.775 188 H VAL 74 H VAL 74 -10.932 5.755 -3.600 189 HA VAL 74 HA VAL 74 -10.353 3.143 -2.411 190 HB VAL 74 HB VAL 74 -12.001 3.792 -4.878 191 HG11 VAL 74 HG11 VAL 74 -11.886 1.319 -3.110 192 HG12 VAL 74 HG12 VAL 74 -13.082 1.616 -4.397 193 HG13 VAL 74 HG13 VAL 74 -11.379 1.419 -4.815 194 HG21 VAL 74 HG21 VAL 74 -12.935 4.892 -2.878 195 HG22 VAL 74 HG22 VAL 74 -13.943 3.528 -3.352 196 HG23 VAL 74 HG23 VAL 74 -12.832 3.361 -1.974 197 H THR 75 H THR 75 -9.217 4.952 -5.222 198 HA THR 75 HA THR 75 -7.288 2.761 -5.856 199 HB THR 75 HB THR 75 -7.771 2.819 -8.141 200 HG1 THR 75 HG1 THR 75 -9.243 4.469 -8.982 201 HG21 THR 75 HG21 THR 75 -10.520 3.320 -6.937 202 HG22 THR 75 HG22 THR 75 -10.156 2.480 -8.458 203 HG23 THR 75 HG23 THR 75 -9.667 1.763 -6.912 204 H ARG 76 H ARG 76 -5.514 3.420 -7.330 205 HA ARG 76 HA ARG 76 -4.126 5.816 -6.500 206 HB2 ARG 76 HB2 ARG 76 -3.815 3.976 -8.927 207 HB3 ARG 76 HB3 ARG 76 -2.735 5.332 -8.593 208 HG2 ARG 76 HG2 ARG 76 -2.045 4.342 -6.457 209 HG3 ARG 76 HG3 ARG 76 -3.197 3.016 -6.664 210 HD2 ARG 76 HD2 ARG 76 -0.953 2.265 -7.263 211 HD3 ARG 76 HD3 ARG 76 -2.023 2.254 -8.675 212 HE ARG 76 HE ARG 76 -0.472 4.729 -8.390 213 HH11 ARG 76 HH11 ARG 76 -0.195 1.467 -9.627 214 HH12 ARG 76 HH12 ARG 76 0.909 1.935 -10.890 215 HH21 ARG 76 HH21 ARG 76 0.854 5.284 -10.112 216 HH22 ARG 76 HH22 ARG 76 1.513 4.034 -11.121 217 H SER 77 H SER 77 -6.378 5.217 -9.181 218 HA SER 77 HA SER 77 -5.912 7.783 -10.452 219 HB2 SER 77 HB2 SER 77 -6.938 5.632 -11.460 220 HB3 SER 77 HB3 SER 77 -8.464 6.198 -10.748 221 HG SER 77 HG SER 77 -8.236 7.010 -12.857 222 H ASP 78 H ASP 78 -8.357 6.631 -8.042 223 HA ASP 78 HA ASP 78 -9.689 9.167 -7.801 224 HB2 ASP 78 HB2 ASP 78 -9.271 7.073 -5.633 225 HB3 ASP 78 HB3 ASP 78 -10.437 8.402 -5.593 226 H ALA 79 H ALA 79 -6.834 7.840 -6.037 227 HA ALA 79 HA ALA 79 -6.377 10.098 -4.377 228 HB1 ALA 79 HB1 ALA 79 -4.324 8.175 -5.582 229 HB2 ALA 79 HB2 ALA 79 -4.158 9.132 -4.097 230 HB3 ALA 79 HB3 ALA 79 -5.333 7.805 -4.177 231 H ARG 80 H ARG 80 -4.991 9.396 -7.607 232 HA ARG 80 HA ARG 80 -3.461 11.765 -8.025 233 HB2 ARG 80 HB2 ARG 80 -3.384 9.668 -9.350 234 HB3 ARG 80 HB3 ARG 80 -5.001 9.999 -9.977 235 HG2 ARG 80 HG2 ARG 80 -4.129 12.037 -11.120 236 HG3 ARG 80 HG3 ARG 80 -2.525 11.702 -10.439 237 HD2 ARG 80 HD2 ARG 80 -2.618 10.912 -12.754 238 HD3 ARG 80 HD3 ARG 80 -2.434 9.560 -11.652 239 HE ARG 80 HE ARG 80 -4.558 8.765 -12.186 240 HH11 ARG 80 HH11 ARG 80 -4.066 11.753 -13.943 241 HH12 ARG 80 HH12 ARG 80 -5.558 11.587 -14.821 242 HH21 ARG 80 HH21 ARG 80 -6.555 8.712 -13.200 243 HH22 ARG 80 HH22 ARG 80 -6.881 9.861 -14.465 244 H VAL 81 H VAL 81 -6.932 11.187 -8.865 245 HA VAL 81 HA VAL 81 -7.174 13.928 -9.802 246 HB VAL 81 HB VAL 81 -9.373 11.905 -9.329 247 HG11 VAL 81 HG11 VAL 81 -9.253 14.644 -10.688 248 HG12 VAL 81 HG12 VAL 81 -10.511 13.459 -11.047 249 HG13 VAL 81 HG13 VAL 81 -10.369 14.107 -9.406 250 HG21 VAL 81 HG21 VAL 81 -7.748 11.191 -11.107 251 HG22 VAL 81 HG22 VAL 81 -9.326 11.623 -11.773 252 HG23 VAL 81 HG23 VAL 81 -7.961 12.759 -11.908 253 H LEU 82 H LEU 82 -7.924 12.384 -6.619 254 HA LEU 82 HA LEU 82 -9.171 14.718 -5.489 255 HB2 LEU 82 HB2 LEU 82 -7.448 12.510 -4.309 256 HB3 LEU 82 HB3 LEU 82 -8.150 13.770 -3.311 257 HG LEU 82 HG LEU 82 -9.845 11.955 -5.058 258 HD11 LEU 82 HD11 LEU 82 -9.343 11.683 -2.074 259 HD12 LEU 82 HD12 LEU 82 -10.218 10.566 -3.165 260 HD13 LEU 82 HD13 LEU 82 -8.465 10.755 -3.300 261 HD21 LEU 82 HD21 LEU 82 -11.005 14.011 -4.401 262 HD22 LEU 82 HD22 LEU 82 -11.667 12.620 -3.534 263 HD23 LEU 82 HD23 LEU 82 -10.561 13.734 -2.702 264 H ILE 83 H ILE 83 -5.672 13.824 -5.704 265 HA ILE 83 HA ILE 83 -4.725 16.275 -4.529 266 HB ILE 83 HB ILE 83 -3.384 14.354 -6.464 267 HG12 ILE 83 HG12 ILE 83 -2.874 14.756 -3.481 268 HG13 ILE 83 HG13 ILE 83 -4.053 13.592 -4.070 269 HG21 ILE 83 HG21 ILE 83 -2.250 16.754 -4.941 270 HG22 ILE 83 HG22 ILE 83 -1.241 15.508 -5.676 271 HG23 ILE 83 HG23 ILE 83 -2.251 16.519 -6.704 272 HD11 ILE 83 HD11 ILE 83 -1.070 13.513 -4.641 273 HD12 ILE 83 HD12 ILE 83 -2.007 12.421 -3.615 274 HD13 ILE 83 HD13 ILE 83 -2.284 12.428 -5.366 275 H PHE 84 H PHE 84 -5.409 15.457 -7.995 276 HA PHE 84 HA PHE 84 -4.661 17.996 -9.023 277 HB2 PHE 84 HB2 PHE 84 -5.135 16.116 -10.503 278 HB3 PHE 84 HB3 PHE 84 -6.800 16.057 -9.940 279 HD1 PHE 84 HD2 PHE 84 -4.857 19.136 -10.915 280 HD2 PHE 84 HD1 PHE 84 -8.112 16.469 -11.850 281 HE1 PHE 84 HE2 PHE 84 -5.512 20.604 -12.769 282 HE2 PHE 84 HE1 PHE 84 -8.803 17.980 -13.693 283 HZ PHE 84 HZ PHE 84 -7.492 20.043 -14.172 284 H ASN 85 H ASN 85 -7.932 16.962 -7.850 285 HA ASN 85 HA ASN 85 -9.169 19.463 -8.384 286 HB2 ASN 85 HB2 ASN 85 -10.376 17.334 -8.043 287 HB3 ASN 85 HB3 ASN 85 -9.868 17.284 -6.354 288 HD21 ASN 85 HD22 ASN 85 -11.086 18.487 -4.818 289 HD22 ASN 85 HD21 ASN 85 -12.444 19.486 -5.299 290 H GLU 86 H GLU 86 -7.551 18.259 -5.417 291 HA GLU 86 HA GLU 86 -7.966 20.529 -3.735 292 HB2 GLU 86 HB2 GLU 86 -7.104 18.346 -2.971 293 HB3 GLU 86 HB3 GLU 86 -5.625 18.587 -3.904 294 HG2 GLU 86 HG2 GLU 86 -5.137 20.631 -2.512 295 HG3 GLU 86 HG3 GLU 86 -6.561 20.253 -1.535 296 H TRP 87 H TRP 87 -5.128 19.794 -5.929 297 HA TRP 87 HA TRP 87 -3.865 22.298 -5.634 298 HB2 TRP 87 HB2 TRP 87 -2.743 20.461 -6.731 299 HB3 TRP 87 HB3 TRP 87 -3.982 20.376 -7.979 300 HD1 TRP 87 HD1 TRP 87 -1.033 22.514 -6.867 301 HE1 TRP 87 HE1 TRP 87 -0.310 24.102 -8.769 302 HE3 TRP 87 HE3 TRP 87 -4.878 21.663 -10.156 303 HZ2 TRP 87 HZ2 TRP 87 -1.160 24.718 -11.442 304 HZ3 TRP 87 HZ3 TRP 87 -4.930 22.844 -12.330 305 HH2 TRP 87 HH2 TRP 87 -3.089 24.366 -12.990 306 H GLU 88 H GLU 88 -6.437 21.360 -8.000 307 HA GLU 88 HA GLU 88 -6.385 23.744 -9.475 308 HB2 GLU 88 HB2 GLU 88 -7.526 21.506 -9.988 309 HB3 GLU 88 HB3 GLU 88 -8.840 22.024 -8.935 310 HG2 GLU 88 HG2 GLU 88 -8.350 24.173 -10.743 311 HG3 GLU 88 HG3 GLU 88 -8.214 22.715 -11.697 312 H GLU 89 H GLU 89 -8.520 22.929 -6.679 313 HA GLU 89 HA GLU 89 -9.842 25.467 -6.548 314 HB2 GLU 89 HB2 GLU 89 -10.621 23.385 -5.448 315 HB3 GLU 89 HB3 GLU 89 -9.249 23.457 -4.331 316 HG2 GLU 89 HG2 GLU 89 -10.075 25.610 -3.437 317 HG3 GLU 89 HG3 GLU 89 -11.396 25.609 -4.611 318 H ARG 90 H ARG 90 -6.930 24.255 -4.790 319 HA ARG 90 HA ARG 90 -6.427 26.659 -3.309 320 HB2 ARG 90 HB2 ARG 90 -4.519 24.538 -4.366 321 HB3 ARG 90 HB3 ARG 90 -4.042 25.785 -3.216 322 HG2 ARG 90 HG2 ARG 90 -6.345 23.933 -2.566 323 HG3 ARG 90 HG3 ARG 90 -4.680 23.369 -2.489 324 HD2 ARG 90 HD2 ARG 90 -5.402 24.065 -0.275 325 HD3 ARG 90 HD3 ARG 90 -4.139 25.147 -0.835 326 HE ARG 90 HE ARG 90 -7.077 25.732 -0.637 327 HH11 ARG 90 HH11 ARG 90 -3.823 27.122 -0.862 328 HH12 ARG 90 HH12 ARG 90 -4.523 28.752 -0.885 329 HH21 ARG 90 HH21 ARG 90 -7.713 27.922 -0.510 330 HH22 ARG 90 HH22 ARG 90 -6.450 29.147 -0.687 331 H LYS 91 H LYS 91 -4.975 25.560 -6.321 332 HA LYS 91 HA LYS 91 -3.413 27.789 -7.020 333 HB2 LYS 91 HB2 LYS 91 -3.523 25.563 -8.236 334 HB3 LYS 91 HB3 LYS 91 -5.034 26.085 -8.973 335 HG2 LYS 91 HG2 LYS 91 -3.325 26.416 -10.570 336 HG3 LYS 91 HG3 LYS 91 -3.735 28.034 -10.007 337 HD2 LYS 91 HD2 LYS 91 -1.756 28.098 -8.572 338 HD3 LYS 91 HD3 LYS 91 -1.442 26.382 -8.863 339 HE2 LYS 91 HE2 LYS 91 -1.083 26.880 -11.296 340 HE3 LYS 91 HE3 LYS 91 -1.293 28.601 -10.953 341 HZ1 LYS 91 HZ1 LYS 91 0.814 26.925 -9.652 342 HZ2 LYS 91 HZ2 LYS 91 1.082 27.882 -10.969 343 HZ3 LYS 91 HZ3 LYS 91 0.638 28.561 -9.544 344 H LYS 92 H LYS 92 -6.899 27.335 -7.780 345 HA LYS 92 HA LYS 92 -7.130 29.936 -9.064 346 HB2 LYS 92 HB2 LYS 92 -9.109 27.827 -8.165 347 HB3 LYS 92 HB3 LYS 92 -9.642 29.378 -8.835 348 HG2 LYS 92 HG2 LYS 92 -8.613 29.008 -10.934 349 HG3 LYS 92 HG3 LYS 92 -7.560 27.738 -10.319 350 HD2 LYS 92 HD2 LYS 92 -9.265 26.808 -11.757 351 HD3 LYS 92 HD3 LYS 92 -9.394 26.189 -10.108 352 HE2 LYS 92 HE2 LYS 92 -11.290 27.678 -9.647 353 HE3 LYS 92 HE3 LYS 92 -11.153 28.395 -11.263 354 HZ1 LYS 92 HZ1 LYS 92 -11.622 25.487 -10.803 355 HZ2 LYS 92 HZ2 LYS 92 -12.846 26.564 -11.101 356 HZ3 LYS 92 HZ3 LYS 92 -11.689 26.274 -12.237 357 H SER 93 H SER 93 -7.541 28.968 -5.661 358 HA SER 93 HA SER 93 -8.400 31.690 -4.922 359 HB2 SER 93 HB2 SER 93 -7.531 29.299 -3.273 360 HB3 SER 93 HB3 SER 93 -8.073 30.850 -2.599 361 HG SER 93 HG SER 93 -9.820 29.355 -2.768 362 H ASP 94 H ASP 94 -5.307 30.027 -5.124 363 HA ASP 94 HA ASP 94 -3.734 32.349 -4.184 364 HB2 ASP 94 HB2 ASP 94 -3.672 29.543 -3.006 365 HB3 ASP 94 HB3 ASP 94 -2.447 30.770 -2.731 366 HA PRO 95 HA PRO 95 -2.339 30.575 -8.051 367 HB2 PRO 95 HB2 PRO 95 -0.683 32.566 -8.978 368 HB3 PRO 95 HB3 PRO 95 -2.462 32.720 -8.857 369 HG2 PRO 95 HG2 PRO 95 -0.397 33.560 -6.775 370 HG3 PRO 95 HG3 PRO 95 -1.671 34.591 -7.534 371 HD2 PRO 95 HD2 PRO 95 -2.102 33.434 -5.163 372 HD3 PRO 95 HD3 PRO 95 -3.407 33.333 -6.394 373 H TRP 96 H TRP 96 -0.027 30.937 -5.509 374 HA TRP 96 HA TRP 96 2.380 30.423 -6.904 375 HB2 TRP 96 HB2 TRP 96 3.352 30.116 -4.758 376 HB3 TRP 96 HB3 TRP 96 2.118 31.348 -4.582 377 HD1 TRP 96 HD1 TRP 96 -0.329 30.305 -3.607 378 HE1 TRP 96 HE1 TRP 96 -0.711 28.643 -1.681 379 HE3 TRP 96 HE3 TRP 96 4.289 28.110 -3.528 380 HZ2 TRP 96 HZ2 TRP 96 0.789 26.593 -0.316 381 HZ3 TRP 96 HZ3 TRP 96 4.775 26.268 -1.926 382 HH2 TRP 96 HH2 TRP 96 3.042 25.508 -0.318 383 H LEU 97 H LEU 97 -0.040 28.063 -5.875 384 HA LEU 97 HA LEU 97 1.735 26.100 -5.114 385 HB2 LEU 97 HB2 LEU 97 -0.702 26.396 -4.503 386 HB3 LEU 97 HB3 LEU 97 -1.117 25.649 -6.050 387 HG LEU 97 HG LEU 97 0.086 23.565 -5.316 388 HD11 LEU 97 HD11 LEU 97 0.232 24.984 -2.626 389 HD12 LEU 97 HD12 LEU 97 0.563 23.263 -2.909 390 HD13 LEU 97 HD13 LEU 97 1.624 24.488 -3.610 391 HD21 LEU 97 HD21 LEU 97 -2.358 23.923 -5.056 392 HD22 LEU 97 HD22 LEU 97 -1.686 22.844 -3.812 393 HD23 LEU 97 HD23 LEU 97 -2.061 24.537 -3.411 394 H ARG 98 H ARG 98 2.525 24.148 -5.960 395 HA ARG 98 HA ARG 98 2.287 23.655 -8.904 396 HB2 ARG 98 HB2 ARG 98 4.544 24.121 -7.948 397 HB3 ARG 98 HB3 ARG 98 4.394 22.686 -6.930 398 HG2 ARG 98 HG2 ARG 98 4.227 21.261 -8.962 399 HG3 ARG 98 HG3 ARG 98 4.358 22.692 -9.992 400 HD2 ARG 98 HD2 ARG 98 6.460 21.773 -7.985 401 HD3 ARG 98 HD3 ARG 98 6.481 21.385 -9.714 402 HE ARG 98 HE ARG 98 6.292 24.168 -9.617 403 HH11 ARG 98 HH11 ARG 98 8.660 21.820 -8.542 404 HH12 ARG 98 HH12 ARG 98 9.984 22.942 -8.696 405 HH21 ARG 98 HH21 ARG 98 8.024 25.559 -9.775 406 HH22 ARG 98 HH22 ARG 98 9.625 25.005 -9.383 407 H LEU 99 H LEU 99 1.707 21.637 -9.678 408 HA LEU 99 HA LEU 99 0.173 19.881 -7.845 409 HB2 LEU 99 HB2 LEU 99 -0.656 20.969 -10.060 410 HB3 LEU 99 HB3 LEU 99 0.337 19.788 -10.869 411 HG LEU 99 HG LEU 99 -2.176 19.275 -9.184 412 HD11 LEU 99 HD11 LEU 99 -1.366 18.727 -12.077 413 HD12 LEU 99 HD12 LEU 99 -2.894 18.238 -11.341 414 HD13 LEU 99 HD13 LEU 99 -2.517 19.963 -11.527 415 HD21 LEU 99 HD21 LEU 99 -0.694 17.529 -8.564 416 HD22 LEU 99 HD22 LEU 99 -1.952 16.952 -9.635 417 HD23 LEU 99 HD23 LEU 99 -0.299 17.208 -10.285 418 H ASP 100 H ASP 100 1.222 18.093 -7.025 419 HA ASP 100 HA ASP 100 3.050 16.517 -8.789 420 HB2 ASP 100 HB2 ASP 100 3.565 17.352 -5.913 421 HB3 ASP 100 HB3 ASP 100 4.412 16.038 -6.721 422 H MET 101 H MET 101 2.274 14.529 -9.045 423 HA MET 101 HA MET 101 1.217 12.960 -6.814 424 HB2 MET 101 HB2 MET 101 -0.955 12.462 -8.245 425 HB3 MET 101 HB3 MET 101 -0.839 13.789 -7.123 426 HG2 MET 101 HG2 MET 101 -1.950 14.624 -8.969 427 HG3 MET 101 HG3 MET 101 -0.342 15.304 -9.023 428 HE1 MET 101 HE1 MET 101 -1.994 15.799 -11.510 429 HE2 MET 101 HE2 MET 101 -2.252 14.448 -12.634 430 HE3 MET 101 HE3 MET 101 -3.052 14.441 -11.043 431 H SER 102 H SER 102 3.504 12.495 -7.974 432 HA SER 102 HA SER 102 3.384 10.216 -9.782 433 HB2 SER 102 HB2 SER 102 5.472 10.959 -7.693 434 HB3 SER 102 HB3 SER 102 5.666 9.778 -9.002 435 HG SER 102 HG SER 102 6.556 11.837 -9.556 436 H ASP 103 H ASP 103 3.880 7.968 -9.084 437 HA ASP 103 HA ASP 103 2.007 6.922 -7.301 438 HB2 ASP 103 HB2 ASP 103 3.099 4.828 -7.579 439 HB3 ASP 103 HB3 ASP 103 3.193 5.691 -9.102 440 H LYS 104 H LYS 104 5.413 7.732 -6.569 441 HA LYS 104 HA LYS 104 5.426 6.916 -3.829 442 HB2 LYS 104 HB2 LYS 104 6.961 9.154 -5.232 443 HB3 LYS 104 HB3 LYS 104 7.295 8.573 -3.594 444 HG2 LYS 104 HG2 LYS 104 7.738 6.295 -4.480 445 HG3 LYS 104 HG3 LYS 104 7.454 6.881 -6.130 446 HD2 LYS 104 HD2 LYS 104 9.330 8.490 -5.886 447 HD3 LYS 104 HD3 LYS 104 9.626 7.889 -4.239 448 HE2 LYS 104 HE2 LYS 104 10.041 5.611 -5.152 449 HE3 LYS 104 HE3 LYS 104 9.742 6.206 -6.788 450 HZ1 LYS 104 HZ1 LYS 104 11.955 7.134 -5.019 451 HZ2 LYS 104 HZ2 LYS 104 12.124 6.134 -6.297 452 HZ3 LYS 104 HZ3 LYS 104 11.676 7.685 -6.535 453 H ALA 105 H ALA 105 4.256 10.013 -5.246 454 HA ALA 105 HA ALA 105 3.759 11.270 -2.677 455 HB1 ALA 105 HB1 ALA 105 2.583 11.840 -5.421 456 HB2 ALA 105 HB2 ALA 105 2.516 12.901 -4.001 457 HB3 ALA 105 HB3 ALA 105 4.077 12.548 -4.767 458 H ILE 106 H ILE 106 1.796 9.255 -4.891 459 HA ILE 106 HA ILE 106 -0.597 9.500 -3.257 460 HB ILE 106 HB ILE 106 0.225 7.636 -5.492 461 HG12 ILE 106 HG12 ILE 106 -1.826 8.601 -6.527 462 HG13 ILE 106 HG13 ILE 106 -2.127 9.544 -5.060 463 HG21 ILE 106 HG21 ILE 106 -2.285 7.304 -3.778 464 HG22 ILE 106 HG22 ILE 106 -2.047 6.581 -5.385 465 HG23 ILE 106 HG23 ILE 106 -1.006 6.100 -4.054 466 HD11 ILE 106 HD11 ILE 106 0.316 9.806 -6.823 467 HD12 ILE 106 HD12 ILE 106 -1.125 10.846 -6.877 468 HD13 ILE 106 HD13 ILE 106 -0.082 10.856 -5.441 469 H PHE 107 H PHE 107 1.932 6.957 -3.351 470 HA PHE 107 HA PHE 107 0.678 5.485 -1.223 471 HB2 PHE 107 HB2 PHE 107 3.612 5.373 -1.931 472 HB3 PHE 107 HB3 PHE 107 2.632 4.155 -1.096 473 HD1 PHE 107 HD1 PHE 107 0.165 4.210 -2.888 474 HD2 PHE 107 HD2 PHE 107 4.383 4.023 -3.763 475 HE1 PHE 107 HE1 PHE 107 -0.329 3.059 -4.996 476 HE2 PHE 107 HE2 PHE 107 3.880 2.834 -5.880 477 HZ PHE 107 HZ PHE 107 1.524 2.357 -6.519 478 H ARG 108 H ARG 108 3.053 8.163 -1.074 479 HA ARG 108 HA ARG 108 3.469 7.986 1.791 480 HB2 ARG 108 HB2 ARG 108 3.907 10.145 -0.309 481 HB3 ARG 108 HB3 ARG 108 4.222 10.442 1.381 482 HG2 ARG 108 HG2 ARG 108 5.538 8.158 -0.148 483 HG3 ARG 108 HG3 ARG 108 6.232 9.777 0.008 484 HD2 ARG 108 HD2 ARG 108 6.225 9.539 2.478 485 HD3 ARG 108 HD3 ARG 108 5.586 7.889 2.311 486 HE ARG 108 HE ARG 108 7.924 8.067 0.723 487 HH11 ARG 108 HH11 ARG 108 7.154 8.127 4.144 488 HH12 ARG 108 HH12 ARG 108 8.712 7.498 4.602 489 HH21 ARG 108 HH21 ARG 108 9.895 7.268 1.377 490 HH22 ARG 108 HH22 ARG 108 10.222 7.025 3.066 491 H ARG 109 H ARG 109 1.127 9.884 -0.181 492 HA ARG 109 HA ARG 109 -0.052 11.136 2.180 493 HB2 ARG 109 HB2 ARG 109 -0.106 12.137 -0.095 494 HB3 ARG 109 HB3 ARG 109 -1.161 10.823 -0.642 495 HG2 ARG 109 HG2 ARG 109 -2.858 11.495 1.042 496 HG3 ARG 109 HG3 ARG 109 -1.821 12.816 1.590 497 HD2 ARG 109 HD2 ARG 109 -2.703 12.594 -1.310 498 HD3 ARG 109 HD3 ARG 109 -3.779 13.221 -0.058 499 HE ARG 109 HE ARG 109 -1.090 14.468 -0.388 500 HH11 ARG 109 HH11 ARG 109 -4.586 14.823 -0.665 501 HH12 ARG 109 HH12 ARG 109 -4.474 16.572 -0.736 502 HH21 ARG 109 HH21 ARG 109 -1.089 16.738 -0.644 503 HH22 ARG 109 HH22 ARG 109 -2.628 17.547 -0.926 504 H TYR 110 H TYR 110 -0.892 8.306 0.222 505 HA TYR 110 HA TYR 110 -3.016 7.501 2.165 506 HB2 TYR 110 HB2 TYR 110 -2.983 7.134 -0.840 507 HB3 TYR 110 HB3 TYR 110 -4.271 6.708 0.273 508 HD1 TYR 110 HD1 TYR 110 -5.189 8.768 1.757 509 HD2 TYR 110 HD2 TYR 110 -3.171 9.105 -2.032 510 HE1 TYR 110 HE1 TYR 110 -6.391 10.905 1.312 511 HE2 TYR 110 HE2 TYR 110 -4.424 11.220 -2.510 512 HH TYR 110 HH TYR 110 -6.785 12.610 -0.202 513 HA PRO 111 HA PRO 111 0.331 4.393 2.067 514 HB2 PRO 111 HB2 PRO 111 0.009 3.263 4.544 515 HB3 PRO 111 HB3 PRO 111 0.756 4.866 4.269 516 HG2 PRO 111 HG2 PRO 111 -2.131 4.264 5.001 517 HG3 PRO 111 HG3 PRO 111 -1.010 5.426 5.788 518 HD2 PRO 111 HD2 PRO 111 -2.791 6.242 3.929 519 HD3 PRO 111 HD3 PRO 111 -1.134 6.924 3.952 520 H HIS 112 H HIS 112 -3.073 3.704 2.259 521 HA HIS 112 HA HIS 112 -2.795 0.802 2.188 522 HB2 HIS 112 HB2 HIS 112 -5.181 0.783 2.134 523 HB3 HIS 112 HB3 HIS 112 -4.619 1.915 3.354 524 HD2 HIS 112 HD2 HIS 112 -6.981 1.655 0.520 525 HE1 HIS 112 HE1 HIS 112 -6.356 5.845 0.862 526 HE2 HIS 112 HE2 HIS 112 -7.805 4.064 -0.190 527 H LEU 113 H LEU 113 -2.324 3.099 -0.277 528 HA LEU 113 HA LEU 113 -3.549 1.456 -2.384 529 HB2 LEU 113 HB2 LEU 113 -2.105 4.117 -2.404 530 HB3 LEU 113 HB3 LEU 113 -2.420 3.247 -3.892 531 HG LEU 113 HG LEU 113 -4.100 4.958 -3.572 532 HD11 LEU 113 HD11 LEU 113 -5.403 2.245 -3.083 533 HD12 LEU 113 HD12 LEU 113 -6.138 3.685 -3.773 534 HD13 LEU 113 HD13 LEU 113 -4.842 2.837 -4.664 535 HD21 LEU 113 HD21 LEU 113 -4.009 4.966 -1.084 536 HD22 LEU 113 HD22 LEU 113 -5.656 4.962 -1.768 537 HD23 LEU 113 HD23 LEU 113 -4.967 3.477 -1.096 538 H ARG 114 H ARG 114 -0.219 1.831 -1.162 539 HA ARG 114 HA ARG 114 1.048 0.651 -3.432 540 HB2 ARG 114 HB2 ARG 114 2.144 1.975 -1.570 541 HB3 ARG 114 HB3 ARG 114 2.051 0.522 -0.571 542 HG2 ARG 114 HG2 ARG 114 3.433 -0.709 -2.236 543 HG3 ARG 114 HG3 ARG 114 3.404 0.696 -3.310 544 HD2 ARG 114 HD2 ARG 114 5.523 0.654 -2.226 545 HD3 ARG 114 HD3 ARG 114 4.609 2.023 -1.570 546 HE ARG 114 HE ARG 114 4.157 -0.214 0.119 547 HH11 ARG 114 HH11 ARG 114 6.887 1.816 -0.720 548 HH12 ARG 114 HH12 ARG 114 7.688 1.526 0.799 549 HH21 ARG 114 HH21 ARG 114 5.226 -0.533 2.039 550 HH22 ARG 114 HH22 ARG 114 6.763 0.228 2.319 Start of MODEL 4 1 H1 MET 1 H1 MET 1 5.861 38.583 0.324 2 H2 MET 1 H2 MET 1 4.739 38.738 1.497 3 H3 MET 1 H3 MET 1 4.683 39.705 0.172 4 HA MET 1 HA MET 1 4.261 36.773 0.177 5 HB2 MET 1 HB2 MET 1 2.245 39.022 -0.306 6 HB3 MET 1 HB3 MET 1 1.940 37.311 -0.599 7 HG2 MET 1 HG2 MET 1 2.308 36.817 1.800 8 HG3 MET 1 HG3 MET 1 2.563 38.541 2.111 9 HE1 MET 1 HE1 MET 1 0.777 38.571 4.012 10 HE2 MET 1 HE2 MET 1 -0.874 37.938 3.835 11 HE3 MET 1 HE3 MET 1 0.513 36.828 3.775 12 H ARG 2 H ARG 2 4.074 35.741 -1.828 13 HA ARG 2 HA ARG 2 4.200 37.271 -4.338 14 HB2 ARG 2 HB2 ARG 2 6.273 36.269 -5.137 15 HB3 ARG 2 HB3 ARG 2 6.564 37.216 -3.685 16 HG2 ARG 2 HG2 ARG 2 6.628 35.114 -2.332 17 HG3 ARG 2 HG3 ARG 2 6.364 34.169 -3.812 18 HD2 ARG 2 HD2 ARG 2 8.450 35.082 -4.770 19 HD3 ARG 2 HD3 ARG 2 8.710 36.042 -3.296 20 HE ARG 2 HE ARG 2 8.394 33.296 -2.573 21 HH11 ARG 2 HH11 ARG 2 10.791 35.314 -4.149 22 HH12 ARG 2 HH12 ARG 2 12.111 34.284 -3.666 23 HH21 ARG 2 HH21 ARG 2 10.123 32.024 -1.991 24 HH22 ARG 2 HH22 ARG 2 11.734 32.467 -2.476 25 H GLY 3 H GLY 3 4.082 35.957 -6.248 26 HA2 GLY 3 HA2 GLY 3 3.640 33.131 -6.240 27 HA3 GLY 3 HA3 GLY 3 2.084 33.967 -6.313 28 H SER 4 H SER 4 3.455 32.276 -8.342 29 HA SER 4 HA SER 4 3.225 34.042 -10.691 30 HB2 SER 4 HB2 SER 4 5.619 34.192 -9.826 31 HB3 SER 4 HB3 SER 4 5.792 32.473 -10.229 32 HG SER 4 HG SER 4 6.473 33.943 -11.927 33 H HIS 5 H HIS 5 3.787 32.693 -12.705 34 HA HIS 5 HA HIS 5 2.930 31.188 -14.185 35 HB2 HIS 5 HB2 HIS 5 5.012 30.173 -13.224 36 HB3 HIS 5 HB3 HIS 5 3.997 29.157 -12.203 37 HD2 HIS 5 HD2 HIS 5 4.053 30.013 -16.045 38 HE1 HIS 5 HE1 HIS 5 3.729 25.781 -15.681 39 HE2 HIS 5 HE2 HIS 5 3.867 27.720 -17.318 40 H HIS 6 H HIS 6 0.797 32.087 -13.434 41 HA HIS 6 HA HIS 6 -1.030 29.854 -12.634 42 HB2 HIS 6 HB2 HIS 6 -0.907 31.586 -10.919 43 HB3 HIS 6 HB3 HIS 6 -1.345 32.822 -12.102 44 HD2 HIS 6 HD2 HIS 6 -3.721 33.487 -11.162 45 HE1 HIS 6 HE1 HIS 6 -5.565 29.645 -11.276 46 HE2 HIS 6 HE2 HIS 6 -5.960 32.127 -10.877 47 H HIS 7 H HIS 7 -1.631 29.041 -14.502 48 HA HIS 7 HA HIS 7 -3.002 30.767 -16.519 49 HB2 HIS 7 HB2 HIS 7 -0.871 28.653 -17.038 50 HB3 HIS 7 HB3 HIS 7 -1.797 29.487 -18.284 51 HD2 HIS 7 HD2 HIS 7 -1.360 32.158 -18.620 52 HE1 HIS 7 HE1 HIS 7 2.430 32.221 -16.665 53 HE2 HIS 7 HE2 HIS 7 0.851 33.524 -18.177 54 H HIS 8 H HIS 8 -4.039 28.847 -14.410 55 HA HIS 8 HA HIS 8 -5.628 27.067 -16.209 56 HB2 HIS 8 HB2 HIS 8 -3.683 25.866 -15.113 57 HB3 HIS 8 HB3 HIS 8 -4.462 26.170 -13.559 58 HD2 HIS 8 HD2 HIS 8 -6.959 24.955 -13.218 59 HE1 HIS 8 HE1 HIS 8 -6.415 22.056 -16.297 60 HE2 HIS 8 HE2 HIS 8 -7.840 22.718 -14.295 61 H HIS 9 H HIS 9 -7.754 26.827 -15.703 62 HA HIS 9 HA HIS 9 -8.914 27.727 -13.164 63 HB2 HIS 9 HB2 HIS 9 -8.523 29.846 -14.427 64 HB3 HIS 9 HB3 HIS 9 -9.453 29.204 -15.777 65 HD2 HIS 9 HD2 HIS 9 -11.460 30.852 -15.780 66 HE1 HIS 9 HE1 HIS 9 -12.776 30.374 -11.754 67 HE2 HIS 9 HE2 HIS 9 -13.318 31.434 -14.004 68 H HIS 10 H HIS 10 -11.269 27.517 -13.190 69 HA HIS 10 HA HIS 10 -13.181 26.327 -13.404 70 HB2 HIS 10 HB2 HIS 10 -13.057 28.020 -15.280 71 HB3 HIS 10 HB3 HIS 10 -12.678 26.691 -16.367 72 HD2 HIS 10 HD2 HIS 10 -15.472 27.316 -13.663 73 HE1 HIS 10 HE1 HIS 10 -17.394 25.964 -17.223 74 HE2 HIS 10 HE2 HIS 10 -17.762 26.717 -14.818 75 H GLY 11 H GLY 11 -10.954 24.495 -13.112 76 HA2 GLY 11 HA2 GLY 11 -11.461 22.095 -14.665 77 HA3 GLY 11 HA3 GLY 11 -10.615 22.205 -13.119 78 H SER 12 H SER 12 -12.088 22.658 -11.181 79 HA SER 12 HA SER 12 -13.667 21.896 -9.729 80 HB2 SER 12 HB2 SER 12 -14.828 23.643 -11.147 81 HB3 SER 12 HB3 SER 12 -15.640 22.311 -11.990 82 HG SER 12 HG SER 12 -16.831 23.203 -10.160 83 H GLY 58 H GLY 58 -16.128 20.502 -10.105 84 HA2 GLY 58 HA2 GLY 58 -17.085 18.424 -10.578 85 HA3 GLY 58 HA3 GLY 58 -15.620 17.911 -11.402 86 H ALA 59 H ALA 59 -16.720 16.018 -10.065 87 HA ALA 59 HA ALA 59 -15.159 15.560 -7.602 88 HB1 ALA 59 HB1 ALA 59 -18.195 15.328 -7.795 89 HB2 ALA 59 HB2 ALA 59 -17.202 14.895 -6.384 90 HB3 ALA 59 HB3 ALA 59 -17.300 16.583 -6.912 91 H LEU 60 H LEU 60 -14.423 14.428 -9.949 92 HA LEU 60 HA LEU 60 -15.764 12.026 -10.677 93 HB2 LEU 60 HB2 LEU 60 -14.497 13.393 -12.217 94 HB3 LEU 60 HB3 LEU 60 -13.047 13.276 -11.219 95 HG LEU 60 HG LEU 60 -12.868 10.905 -11.694 96 HD11 LEU 60 HD11 LEU 60 -15.172 11.363 -13.653 97 HD12 LEU 60 HD12 LEU 60 -14.174 9.895 -13.572 98 HD13 LEU 60 HD13 LEU 60 -15.225 10.317 -12.218 99 HD21 LEU 60 HD21 LEU 60 -11.667 12.543 -13.074 100 HD22 LEU 60 HD22 LEU 60 -12.129 11.133 -14.040 101 HD23 LEU 60 HD23 LEU 60 -13.053 12.644 -14.183 102 H ALA 61 H ALA 61 -13.127 12.640 -8.365 103 HA ALA 61 HA ALA 61 -12.272 9.870 -8.217 104 HB1 ALA 61 HB1 ALA 61 -11.707 12.250 -6.409 105 HB2 ALA 61 HB2 ALA 61 -10.885 10.677 -6.352 106 HB3 ALA 61 HB3 ALA 61 -10.719 11.704 -7.784 107 H ALA 62 H ALA 62 -12.679 8.313 -6.718 108 HA ALA 62 HA ALA 62 -14.948 8.760 -4.890 109 HB1 ALA 62 HB1 ALA 62 -13.815 6.149 -5.964 110 HB2 ALA 62 HB2 ALA 62 -15.301 6.335 -5.019 111 HB3 ALA 62 HB3 ALA 62 -15.200 7.029 -6.651 112 H LEU 63 H LEU 63 -15.129 7.846 -2.854 113 HA LEU 63 HA LEU 63 -12.569 7.479 -1.362 114 HB2 LEU 63 HB2 LEU 63 -15.057 9.013 -0.504 115 HB3 LEU 63 HB3 LEU 63 -13.652 8.710 0.510 116 HG LEU 63 HG LEU 63 -13.644 10.409 -2.026 117 HD11 LEU 63 HD11 LEU 63 -13.502 11.196 0.917 118 HD12 LEU 63 HD12 LEU 63 -13.397 12.295 -0.476 119 HD13 LEU 63 HD13 LEU 63 -14.904 11.423 -0.154 120 HD21 LEU 63 HD21 LEU 63 -11.437 9.433 -1.646 121 HD22 LEU 63 HD22 LEU 63 -11.411 11.142 -1.170 122 HD23 LEU 63 HD23 LEU 63 -11.498 9.881 0.072 123 H HIS 64 H HIS 64 -12.588 6.124 0.400 124 HA HIS 64 HA HIS 64 -14.696 4.109 0.761 125 HB2 HIS 64 HB2 HIS 64 -12.257 4.936 2.351 126 HB3 HIS 64 HB3 HIS 64 -13.333 3.637 2.861 127 HD2 HIS 64 HD2 HIS 64 -10.255 4.239 0.875 128 HE1 HIS 64 HE1 HIS 64 -11.576 0.360 -0.297 129 HE2 HIS 64 HE2 HIS 64 -9.622 1.983 -0.341 130 H ALA 65 H ALA 65 -16.482 4.303 2.063 131 HA ALA 65 HA ALA 65 -16.944 6.895 3.385 132 HB1 ALA 65 HB1 ALA 65 -18.793 4.540 2.843 133 HB2 ALA 65 HB2 ALA 65 -19.276 6.155 3.400 134 HB3 ALA 65 HB3 ALA 65 -18.562 5.954 1.789 135 H GLU 66 H GLU 66 -16.269 3.608 4.422 136 HA GLU 66 HA GLU 66 -16.747 4.305 7.286 137 HB2 GLU 66 HB2 GLU 66 -17.849 1.870 5.821 138 HB3 GLU 66 HB3 GLU 66 -17.855 2.089 7.570 139 HG2 GLU 66 HG2 GLU 66 -19.235 4.158 7.286 140 HG3 GLU 66 HG3 GLU 66 -19.337 3.818 5.554 141 H GLY 67 H GLY 67 -15.843 2.695 8.798 142 HA2 GLY 67 HA2 GLY 67 -14.260 1.192 9.568 143 HA3 GLY 67 HA3 GLY 67 -13.949 0.718 7.904 144 HA PRO 68 HA PRO 68 -10.191 2.713 9.912 145 HB2 PRO 68 HB2 PRO 68 -8.364 1.197 8.376 146 HB3 PRO 68 HB3 PRO 68 -8.965 0.799 10.021 147 HG2 PRO 68 HG2 PRO 68 -9.938 -0.191 7.335 148 HG3 PRO 68 HG3 PRO 68 -9.701 -1.124 8.848 149 HD2 PRO 68 HD2 PRO 68 -12.146 -0.336 8.100 150 HD3 PRO 68 HD3 PRO 68 -11.669 -0.205 9.820 151 H LEU 69 H LEU 69 -10.949 2.197 6.516 152 HA LEU 69 HA LEU 69 -9.022 4.250 5.597 153 HB2 LEU 69 HB2 LEU 69 -10.819 2.311 4.125 154 HB3 LEU 69 HB3 LEU 69 -9.641 3.387 3.363 155 HG LEU 69 HG LEU 69 -9.004 1.067 5.234 156 HD11 LEU 69 HD11 LEU 69 -8.598 1.461 2.255 157 HD12 LEU 69 HD12 LEU 69 -7.990 0.080 3.203 158 HD13 LEU 69 HD13 LEU 69 -9.735 0.347 3.031 159 HD21 LEU 69 HD21 LEU 69 -7.326 2.794 5.575 160 HD22 LEU 69 HD22 LEU 69 -6.638 1.495 4.605 161 HD23 LEU 69 HD23 LEU 69 -7.146 3.012 3.820 162 H ALA 70 H ALA 70 -12.058 4.521 6.849 163 HA ALA 70 HA ALA 70 -13.613 5.912 5.026 164 HB1 ALA 70 HB1 ALA 70 -13.269 6.499 7.994 165 HB2 ALA 70 HB2 ALA 70 -14.635 7.018 6.982 166 HB3 ALA 70 HB3 ALA 70 -14.360 5.294 7.278 167 H GLY 71 H GLY 71 -13.504 7.757 3.935 168 HA2 GLY 71 HA2 GLY 71 -13.072 10.059 3.566 169 HA3 GLY 71 HA3 GLY 71 -11.861 10.051 4.860 170 H LEU 72 H LEU 72 -11.014 7.386 3.124 171 HA LEU 72 HA LEU 72 -8.945 8.968 1.681 172 HB2 LEU 72 HB2 LEU 72 -8.942 6.082 2.586 173 HB3 LEU 72 HB3 LEU 72 -7.572 7.004 1.995 174 HG LEU 72 HG LEU 72 -8.980 7.385 4.654 175 HD11 LEU 72 HD11 LEU 72 -6.132 6.573 3.937 176 HD12 LEU 72 HD12 LEU 72 -6.843 6.670 5.566 177 HD13 LEU 72 HD13 LEU 72 -7.426 5.457 4.411 178 HD21 LEU 72 HD21 LEU 72 -8.326 9.604 3.885 179 HD22 LEU 72 HD22 LEU 72 -7.215 9.060 5.141 180 HD23 LEU 72 HD23 LEU 72 -6.707 9.011 3.439 181 HA PRO 73 HA PRO 73 -10.118 7.653 -2.448 182 HB2 PRO 73 HB2 PRO 73 -7.714 6.948 -3.586 183 HB3 PRO 73 HB3 PRO 73 -8.239 8.630 -3.333 184 HG2 PRO 73 HG2 PRO 73 -6.465 6.929 -1.546 185 HG3 PRO 73 HG3 PRO 73 -6.152 8.588 -2.120 186 HD2 PRO 73 HD2 PRO 73 -7.140 8.177 0.318 187 HD3 PRO 73 HD3 PRO 73 -7.844 9.472 -0.669 188 H VAL 74 H VAL 74 -10.802 5.888 -3.509 189 HA VAL 74 HA VAL 74 -10.279 3.267 -2.291 190 HB VAL 74 HB VAL 74 -11.973 3.944 -4.717 191 HG11 VAL 74 HG11 VAL 74 -11.871 1.468 -2.948 192 HG12 VAL 74 HG12 VAL 74 -13.088 1.794 -4.206 193 HG13 VAL 74 HG13 VAL 74 -11.404 1.557 -4.665 194 HG21 VAL 74 HG21 VAL 74 -12.828 5.073 -2.696 195 HG22 VAL 74 HG22 VAL 74 -13.878 3.730 -3.138 196 HG23 VAL 74 HG23 VAL 74 -12.736 3.543 -1.791 197 H THR 75 H THR 75 -9.146 5.036 -5.128 198 HA THR 75 HA THR 75 -7.296 2.788 -5.795 199 HB THR 75 HB THR 75 -7.817 2.861 -8.073 200 HG1 THR 75 HG1 THR 75 -9.297 4.539 -8.864 201 HG21 THR 75 HG21 THR 75 -10.529 3.410 -6.801 202 HG22 THR 75 HG22 THR 75 -10.217 2.564 -8.332 203 HG23 THR 75 HG23 THR 75 -9.703 1.838 -6.797 204 H ARG 76 H ARG 76 -5.523 3.396 -7.295 205 HA ARG 76 HA ARG 76 -4.065 5.718 -6.433 206 HB2 ARG 76 HB2 ARG 76 -3.184 3.539 -7.475 207 HB3 ARG 76 HB3 ARG 76 -3.693 4.169 -9.042 208 HG2 ARG 76 HG2 ARG 76 -2.200 6.234 -8.486 209 HG3 ARG 76 HG3 ARG 76 -1.548 5.256 -7.168 210 HD2 ARG 76 HD2 ARG 76 -1.505 4.566 -10.134 211 HD3 ARG 76 HD3 ARG 76 -0.142 5.183 -9.185 212 HE ARG 76 HE ARG 76 -1.067 2.806 -7.921 213 HH11 ARG 76 HH11 ARG 76 0.551 3.674 -10.910 214 HH12 ARG 76 HH12 ARG 76 1.282 2.102 -11.080 215 HH21 ARG 76 HH21 ARG 76 -0.152 0.787 -8.243 216 HH22 ARG 76 HH22 ARG 76 0.904 0.529 -9.595 217 H SER 77 H SER 77 -6.237 5.189 -9.180 218 HA SER 77 HA SER 77 -5.830 7.737 -10.467 219 HB2 SER 77 HB2 SER 77 -6.880 5.751 -11.535 220 HB3 SER 77 HB3 SER 77 -8.307 5.976 -10.502 221 HG SER 77 HG SER 77 -8.501 6.987 -12.598 222 H ASP 78 H ASP 78 -8.284 6.650 -8.001 223 HA ASP 78 HA ASP 78 -9.532 9.207 -7.754 224 HB2 ASP 78 HB2 ASP 78 -9.171 7.119 -5.569 225 HB3 ASP 78 HB3 ASP 78 -10.295 8.480 -5.538 226 H ALA 79 H ALA 79 -6.698 7.853 -5.982 227 HA ALA 79 HA ALA 79 -6.264 10.105 -4.296 228 HB1 ALA 79 HB1 ALA 79 -4.206 8.172 -5.461 229 HB2 ALA 79 HB2 ALA 79 -4.079 9.108 -3.955 230 HB3 ALA 79 HB3 ALA 79 -5.256 7.789 -4.097 231 H ARG 80 H ARG 80 -4.804 9.393 -7.503 232 HA ARG 80 HA ARG 80 -3.262 11.807 -7.760 233 HB2 ARG 80 HB2 ARG 80 -2.945 9.695 -9.007 234 HB3 ARG 80 HB3 ARG 80 -4.470 9.942 -9.861 235 HG2 ARG 80 HG2 ARG 80 -3.580 11.893 -11.006 236 HG3 ARG 80 HG3 ARG 80 -2.116 11.869 -10.001 237 HD2 ARG 80 HD2 ARG 80 -1.390 9.763 -10.966 238 HD3 ARG 80 HD3 ARG 80 -2.924 9.567 -11.807 239 HE ARG 80 HE ARG 80 -2.364 11.220 -13.376 240 HH11 ARG 80 HH11 ARG 80 0.374 10.970 -11.146 241 HH12 ARG 80 HH12 ARG 80 1.495 11.408 -12.400 242 HH21 ARG 80 HH21 ARG 80 -0.870 11.913 -14.827 243 HH22 ARG 80 HH22 ARG 80 0.806 12.020 -14.382 244 H VAL 81 H VAL 81 -6.620 11.108 -8.782 245 HA VAL 81 HA VAL 81 -7.016 13.783 -9.855 246 HB VAL 81 HB VAL 81 -8.956 11.545 -9.207 247 HG11 VAL 81 HG11 VAL 81 -9.506 14.182 -10.654 248 HG12 VAL 81 HG12 VAL 81 -10.611 12.790 -10.581 249 HG13 VAL 81 HG13 VAL 81 -10.222 13.678 -9.107 250 HG21 VAL 81 HG21 VAL 81 -7.386 11.151 -11.117 251 HG22 VAL 81 HG22 VAL 81 -9.057 11.313 -11.655 252 HG23 VAL 81 HG23 VAL 81 -7.927 12.669 -11.857 253 H LEU 82 H LEU 82 -7.707 12.362 -6.582 254 HA LEU 82 HA LEU 82 -8.996 14.707 -5.549 255 HB2 LEU 82 HB2 LEU 82 -7.268 12.551 -4.286 256 HB3 LEU 82 HB3 LEU 82 -7.943 13.851 -3.326 257 HG LEU 82 HG LEU 82 -9.685 12.016 -4.992 258 HD11 LEU 82 HD11 LEU 82 -9.116 11.788 -2.018 259 HD12 LEU 82 HD12 LEU 82 -10.048 10.676 -3.065 260 HD13 LEU 82 HD13 LEU 82 -8.298 10.818 -3.254 261 HD21 LEU 82 HD21 LEU 82 -10.800 14.106 -4.346 262 HD22 LEU 82 HD22 LEU 82 -11.470 12.735 -3.454 263 HD23 LEU 82 HD23 LEU 82 -10.334 13.841 -2.649 264 H ILE 83 H ILE 83 -5.490 13.846 -5.634 265 HA ILE 83 HA ILE 83 -4.582 16.312 -4.489 266 HB ILE 83 HB ILE 83 -3.193 14.434 -6.434 267 HG12 ILE 83 HG12 ILE 83 -2.709 14.703 -3.434 268 HG13 ILE 83 HG13 ILE 83 -3.918 13.598 -4.062 269 HG21 ILE 83 HG21 ILE 83 -2.110 16.776 -4.791 270 HG22 ILE 83 HG22 ILE 83 -1.076 15.563 -5.546 271 HG23 ILE 83 HG23 ILE 83 -2.070 16.611 -6.560 272 HD11 ILE 83 HD11 ILE 83 -0.939 13.460 -4.603 273 HD12 ILE 83 HD12 ILE 83 -1.956 12.314 -3.711 274 HD13 ILE 83 HD13 ILE 83 -2.165 12.482 -5.455 275 H PHE 84 H PHE 84 -5.127 15.432 -7.952 276 HA PHE 84 HA PHE 84 -4.405 17.938 -9.052 277 HB2 PHE 84 HB2 PHE 84 -4.829 15.910 -10.399 278 HB3 PHE 84 HB3 PHE 84 -6.515 15.945 -9.933 279 HD1 PHE 84 HD1 PHE 84 -4.841 19.154 -10.850 280 HD2 PHE 84 HD2 PHE 84 -7.277 15.864 -12.222 281 HE1 PHE 84 HE1 PHE 84 -5.382 20.414 -12.873 282 HE2 PHE 84 HE2 PHE 84 -7.859 17.166 -14.252 283 HZ PHE 84 HZ PHE 84 -6.912 19.441 -14.594 284 H ASN 85 H ASN 85 -7.692 16.881 -7.926 285 HA ASN 85 HA ASN 85 -8.856 19.373 -8.707 286 HB2 ASN 85 HB2 ASN 85 -9.874 16.916 -8.161 287 HB3 ASN 85 HB3 ASN 85 -10.208 17.688 -6.612 288 HD21 ASN 85 HD22 ASN 85 -10.792 17.733 -10.099 289 HD22 ASN 85 HD21 ASN 85 -12.190 18.789 -10.034 290 H GLU 86 H GLU 86 -7.586 18.241 -5.551 291 HA GLU 86 HA GLU 86 -8.274 20.604 -4.066 292 HB2 GLU 86 HB2 GLU 86 -7.535 18.586 -2.924 293 HB3 GLU 86 HB3 GLU 86 -5.941 18.675 -3.711 294 HG2 GLU 86 HG2 GLU 86 -5.426 20.761 -2.573 295 HG3 GLU 86 HG3 GLU 86 -7.082 20.912 -1.988 296 H TRP 87 H TRP 87 -5.187 19.812 -5.915 297 HA TRP 87 HA TRP 87 -4.030 22.353 -5.625 298 HB2 TRP 87 HB2 TRP 87 -2.786 20.545 -6.613 299 HB3 TRP 87 HB3 TRP 87 -3.954 20.372 -7.918 300 HD1 TRP 87 HD1 TRP 87 -1.112 22.610 -6.763 301 HE1 TRP 87 HE1 TRP 87 -0.395 24.214 -8.664 302 HE3 TRP 87 HE3 TRP 87 -4.774 21.522 -10.168 303 HZ2 TRP 87 HZ2 TRP 87 -1.205 24.789 -11.352 304 HZ3 TRP 87 HZ3 TRP 87 -4.819 22.678 -12.369 305 HH2 TRP 87 HH2 TRP 87 -3.043 24.299 -12.965 306 H GLU 88 H GLU 88 -6.484 21.331 -8.081 307 HA GLU 88 HA GLU 88 -6.405 23.746 -9.534 308 HB2 GLU 88 HB2 GLU 88 -7.433 21.426 -10.051 309 HB3 GLU 88 HB3 GLU 88 -8.895 22.016 -9.284 310 HG2 GLU 88 HG2 GLU 88 -7.450 23.476 -11.533 311 HG3 GLU 88 HG3 GLU 88 -8.556 22.156 -11.862 312 H GLU 89 H GLU 89 -8.617 22.869 -6.822 313 HA GLU 89 HA GLU 89 -9.970 25.416 -6.722 314 HB2 GLU 89 HB2 GLU 89 -9.509 23.204 -4.688 315 HB3 GLU 89 HB3 GLU 89 -10.429 24.653 -4.302 316 HG2 GLU 89 HG2 GLU 89 -11.160 22.861 -6.652 317 HG3 GLU 89 HG3 GLU 89 -11.756 22.599 -5.018 318 H ARG 90 H ARG 90 -7.098 24.200 -4.918 319 HA ARG 90 HA ARG 90 -6.649 26.567 -3.335 320 HB2 ARG 90 HB2 ARG 90 -4.667 24.570 -4.482 321 HB3 ARG 90 HB3 ARG 90 -4.287 25.743 -3.222 322 HG2 ARG 90 HG2 ARG 90 -6.529 23.779 -2.743 323 HG3 ARG 90 HG3 ARG 90 -4.858 23.213 -2.757 324 HD2 ARG 90 HD2 ARG 90 -4.323 24.902 -0.978 325 HD3 ARG 90 HD3 ARG 90 -6.042 25.362 -0.952 326 HE ARG 90 HE ARG 90 -5.759 22.514 -0.605 327 HH11 ARG 90 HH11 ARG 90 -5.344 25.439 1.290 328 HH12 ARG 90 HH12 ARG 90 -5.558 24.585 2.792 329 HH21 ARG 90 HH21 ARG 90 -5.968 21.495 1.269 330 HH22 ARG 90 HH22 ARG 90 -5.925 22.378 2.786 331 H LYS 91 H LYS 91 -5.296 25.570 -6.441 332 HA LYS 91 HA LYS 91 -3.732 27.847 -7.053 333 HB2 LYS 91 HB2 LYS 91 -3.722 25.618 -8.268 334 HB3 LYS 91 HB3 LYS 91 -5.224 26.091 -9.058 335 HG2 LYS 91 HG2 LYS 91 -3.480 26.475 -10.587 336 HG3 LYS 91 HG3 LYS 91 -3.954 28.075 -10.021 337 HD2 LYS 91 HD2 LYS 91 -2.008 28.190 -8.538 338 HD3 LYS 91 HD3 LYS 91 -1.627 26.485 -8.850 339 HE2 LYS 91 HE2 LYS 91 -1.284 27.040 -11.278 340 HE3 LYS 91 HE3 LYS 91 -1.571 28.743 -10.893 341 HZ1 LYS 91 HZ1 LYS 91 0.632 27.135 -9.669 342 HZ2 LYS 91 HZ2 LYS 91 0.821 28.172 -10.961 343 HZ3 LYS 91 HZ3 LYS 91 0.367 28.756 -9.507 344 H LYS 92 H LYS 92 -7.208 27.307 -7.853 345 HA LYS 92 HA LYS 92 -7.691 29.878 -9.038 346 HB2 LYS 92 HB2 LYS 92 -9.456 27.942 -7.502 347 HB3 LYS 92 HB3 LYS 92 -10.062 29.483 -8.102 348 HG2 LYS 92 HG2 LYS 92 -9.719 28.889 -10.374 349 HG3 LYS 92 HG3 LYS 92 -8.700 27.510 -9.965 350 HD2 LYS 92 HD2 LYS 92 -10.941 26.783 -10.668 351 HD3 LYS 92 HD3 LYS 92 -10.574 26.302 -9.009 352 HE2 LYS 92 HE2 LYS 92 -11.904 28.330 -8.224 353 HE3 LYS 92 HE3 LYS 92 -12.371 28.602 -9.910 354 HZ1 LYS 92 HZ1 LYS 92 -12.934 26.148 -8.297 355 HZ2 LYS 92 HZ2 LYS 92 -14.043 27.285 -8.706 356 HZ3 LYS 92 HZ3 LYS 92 -13.380 26.339 -9.869 357 H SER 93 H SER 93 -7.907 28.919 -5.554 358 HA SER 93 HA SER 93 -8.595 31.606 -4.719 359 HB2 SER 93 HB2 SER 93 -7.597 29.213 -3.144 360 HB3 SER 93 HB3 SER 93 -8.194 30.724 -2.432 361 HG SER 93 HG SER 93 -9.858 29.126 -2.600 362 H ASP 94 H ASP 94 -5.474 30.020 -5.086 363 HA ASP 94 HA ASP 94 -3.945 32.354 -4.121 364 HB2 ASP 94 HB2 ASP 94 -3.838 29.538 -2.983 365 HB3 ASP 94 HB3 ASP 94 -2.549 30.719 -2.792 366 HA PRO 95 HA PRO 95 -2.606 30.838 -8.083 367 HB2 PRO 95 HB2 PRO 95 -0.919 32.884 -8.873 368 HB3 PRO 95 HB3 PRO 95 -2.701 33.024 -8.761 369 HG2 PRO 95 HG2 PRO 95 -0.656 33.781 -6.641 370 HG3 PRO 95 HG3 PRO 95 -1.970 34.809 -7.326 371 HD2 PRO 95 HD2 PRO 95 -2.332 33.498 -5.018 372 HD3 PRO 95 HD3 PRO 95 -3.656 33.450 -6.230 373 H TRP 96 H TRP 96 -0.230 31.075 -5.556 374 HA TRP 96 HA TRP 96 2.118 30.590 -7.098 375 HB2 TRP 96 HB2 TRP 96 3.218 30.344 -5.013 376 HB3 TRP 96 HB3 TRP 96 1.971 31.547 -4.759 377 HD1 TRP 96 HD1 TRP 96 -0.328 30.552 -3.503 378 HE1 TRP 96 HE1 TRP 96 -0.546 28.835 -1.603 379 HE3 TRP 96 HE3 TRP 96 4.207 28.249 -3.996 380 HZ2 TRP 96 HZ2 TRP 96 1.044 26.715 -0.460 381 HZ3 TRP 96 HZ3 TRP 96 4.823 26.352 -2.504 382 HH2 TRP 96 HH2 TRP 96 3.256 25.584 -0.735 383 H LEU 97 H LEU 97 -0.240 28.240 -5.921 384 HA LEU 97 HA LEU 97 1.544 26.315 -5.154 385 HB2 LEU 97 HB2 LEU 97 -0.915 26.574 -4.588 386 HB3 LEU 97 HB3 LEU 97 -1.286 25.778 -6.120 387 HG LEU 97 HG LEU 97 -0.030 23.744 -5.297 388 HD11 LEU 97 HD11 LEU 97 -0.011 25.247 -2.651 389 HD12 LEU 97 HD12 LEU 97 0.381 23.530 -2.871 390 HD13 LEU 97 HD13 LEU 97 1.424 24.765 -3.578 391 HD21 LEU 97 HD21 LEU 97 -2.494 24.035 -5.119 392 HD22 LEU 97 HD22 LEU 97 -1.825 23.013 -3.825 393 HD23 LEU 97 HD23 LEU 97 -2.257 24.706 -3.486 394 H ARG 98 H ARG 98 2.347 24.345 -5.941 395 HA ARG 98 HA ARG 98 2.167 23.795 -8.876 396 HB2 ARG 98 HB2 ARG 98 4.404 24.402 -7.924 397 HB3 ARG 98 HB3 ARG 98 4.307 23.020 -6.850 398 HG2 ARG 98 HG2 ARG 98 5.758 22.490 -8.698 399 HG3 ARG 98 HG3 ARG 98 4.325 21.481 -8.795 400 HD2 ARG 98 HD2 ARG 98 4.975 22.250 -11.008 401 HD3 ARG 98 HD3 ARG 98 3.407 22.936 -10.578 402 HE ARG 98 HE ARG 98 5.790 24.601 -10.002 403 HH11 ARG 98 HH11 ARG 98 3.278 23.998 -12.407 404 HH12 ARG 98 HH12 ARG 98 3.499 25.589 -13.107 405 HH21 ARG 98 HH21 ARG 98 6.017 26.570 -11.057 406 HH22 ARG 98 HH22 ARG 98 5.007 26.899 -12.453 407 H LEU 99 H LEU 99 1.742 21.695 -9.592 408 HA LEU 99 HA LEU 99 0.251 19.940 -7.719 409 HB2 LEU 99 HB2 LEU 99 -0.627 21.026 -9.922 410 HB3 LEU 99 HB3 LEU 99 0.372 19.863 -10.746 411 HG LEU 99 HG LEU 99 -2.146 19.334 -9.083 412 HD11 LEU 99 HD11 LEU 99 -1.261 18.710 -11.939 413 HD12 LEU 99 HD12 LEU 99 -2.807 18.250 -11.224 414 HD13 LEU 99 HD13 LEU 99 -2.418 19.969 -11.456 415 HD21 LEU 99 HD21 LEU 99 -0.651 17.627 -8.393 416 HD22 LEU 99 HD22 LEU 99 -1.891 17.012 -9.467 417 HD23 LEU 99 HD23 LEU 99 -0.232 17.262 -10.099 418 H ASP 100 H ASP 100 1.295 18.106 -6.961 419 HA ASP 100 HA ASP 100 3.101 16.575 -8.784 420 HB2 ASP 100 HB2 ASP 100 3.699 17.391 -5.916 421 HB3 ASP 100 HB3 ASP 100 4.526 16.081 -6.752 422 H MET 101 H MET 101 2.334 14.575 -9.028 423 HA MET 101 HA MET 101 1.365 12.972 -6.775 424 HB2 MET 101 HB2 MET 101 -0.876 12.523 -8.121 425 HB3 MET 101 HB3 MET 101 -0.697 13.815 -6.967 426 HG2 MET 101 HG2 MET 101 -1.899 14.663 -8.807 427 HG3 MET 101 HG3 MET 101 -0.323 15.410 -8.742 428 HE1 MET 101 HE1 MET 101 -2.100 15.843 -11.314 429 HE2 MET 101 HE2 MET 101 -2.135 14.504 -12.478 430 HE3 MET 101 HE3 MET 101 -2.944 14.327 -10.903 431 H SER 102 H SER 102 3.543 12.390 -7.907 432 HA SER 102 HA SER 102 3.328 10.172 -9.809 433 HB2 SER 102 HB2 SER 102 5.452 11.335 -9.393 434 HB3 SER 102 HB3 SER 102 5.408 10.853 -7.686 435 HG SER 102 HG SER 102 6.716 9.486 -9.125 436 H ASP 103 H ASP 103 3.544 7.878 -9.165 437 HA ASP 103 HA ASP 103 1.616 7.054 -7.254 438 HB2 ASP 103 HB2 ASP 103 2.483 4.799 -7.597 439 HB3 ASP 103 HB3 ASP 103 2.227 5.653 -9.103 440 H LYS 104 H LYS 104 5.106 7.580 -6.824 441 HA LYS 104 HA LYS 104 5.337 6.606 -4.136 442 HB2 LYS 104 HB2 LYS 104 6.814 8.888 -5.532 443 HB3 LYS 104 HB3 LYS 104 7.289 8.149 -3.996 444 HG2 LYS 104 HG2 LYS 104 7.535 5.949 -5.137 445 HG3 LYS 104 HG3 LYS 104 7.142 6.720 -6.688 446 HD2 LYS 104 HD2 LYS 104 9.081 8.263 -6.389 447 HD3 LYS 104 HD3 LYS 104 9.531 7.407 -4.913 448 HE2 LYS 104 HE2 LYS 104 9.330 6.148 -7.694 449 HE3 LYS 104 HE3 LYS 104 10.823 6.752 -6.977 450 HZ1 LYS 104 HZ1 LYS 104 9.201 4.506 -5.881 451 HZ2 LYS 104 HZ2 LYS 104 10.639 4.375 -6.632 452 HZ3 LYS 104 HZ3 LYS 104 10.556 5.107 -5.178 453 H ALA 105 H ALA 105 4.206 9.793 -5.334 454 HA ALA 105 HA ALA 105 3.884 10.968 -2.695 455 HB1 ALA 105 HB1 ALA 105 2.620 11.722 -5.350 456 HB2 ALA 105 HB2 ALA 105 2.686 12.716 -3.883 457 HB3 ALA 105 HB3 ALA 105 4.183 12.318 -4.744 458 H ILE 106 H ILE 106 1.769 9.128 -4.902 459 HA ILE 106 HA ILE 106 -0.562 9.399 -3.194 460 HB ILE 106 HB ILE 106 0.138 7.544 -5.479 461 HG12 ILE 106 HG12 ILE 106 -1.925 8.603 -6.431 462 HG13 ILE 106 HG13 ILE 106 -2.081 9.583 -4.965 463 HG21 ILE 106 HG21 ILE 106 -2.313 7.274 -3.679 464 HG22 ILE 106 HG22 ILE 106 -2.184 6.589 -5.311 465 HG23 ILE 106 HG23 ILE 106 -1.097 6.030 -4.049 466 HD11 ILE 106 HD11 ILE 106 0.246 9.652 -6.898 467 HD12 ILE 106 HD12 ILE 106 -1.096 10.807 -6.836 468 HD13 ILE 106 HD13 ILE 106 0.053 10.727 -5.486 469 H PHE 107 H PHE 107 1.873 6.766 -3.417 470 HA PHE 107 HA PHE 107 0.667 5.283 -1.279 471 HB2 PHE 107 HB2 PHE 107 3.595 5.200 -2.026 472 HB3 PHE 107 HB3 PHE 107 2.641 3.971 -1.181 473 HD1 PHE 107 HD1 PHE 107 0.147 4.030 -2.966 474 HD2 PHE 107 HD2 PHE 107 4.364 3.856 -3.858 475 HE1 PHE 107 HE1 PHE 107 -0.357 2.904 -5.082 476 HE2 PHE 107 HE2 PHE 107 3.852 2.703 -5.995 477 HZ PHE 107 HZ PHE 107 1.499 2.217 -6.618 478 H ARG 108 H ARG 108 3.126 7.892 -1.165 479 HA ARG 108 HA ARG 108 3.634 7.688 1.662 480 HB2 ARG 108 HB2 ARG 108 5.082 8.828 -0.028 481 HB3 ARG 108 HB3 ARG 108 3.892 10.139 -0.135 482 HG2 ARG 108 HG2 ARG 108 4.244 10.640 2.276 483 HG3 ARG 108 HG3 ARG 108 5.354 9.263 2.401 484 HD2 ARG 108 HD2 ARG 108 6.837 10.344 0.706 485 HD3 ARG 108 HD3 ARG 108 5.775 11.748 0.675 486 HE ARG 108 HE ARG 108 7.669 10.931 2.785 487 HH11 ARG 108 HH11 ARG 108 5.025 13.144 2.096 488 HH12 ARG 108 HH12 ARG 108 5.444 14.185 3.429 489 HH21 ARG 108 HH21 ARG 108 8.135 12.302 4.451 490 HH22 ARG 108 HH22 ARG 108 7.163 13.717 4.721 491 H ARG 109 H ARG 109 1.237 9.640 -0.154 492 HA ARG 109 HA ARG 109 0.064 10.872 2.230 493 HB2 ARG 109 HB2 ARG 109 -0.854 10.517 -0.652 494 HB3 ARG 109 HB3 ARG 109 -1.847 11.319 0.572 495 HG2 ARG 109 HG2 ARG 109 -0.226 13.059 0.917 496 HG3 ARG 109 HG3 ARG 109 0.981 12.245 -0.097 497 HD2 ARG 109 HD2 ARG 109 -0.340 12.537 -2.076 498 HD3 ARG 109 HD3 ARG 109 -1.739 13.109 -1.166 499 HE ARG 109 HE ARG 109 0.776 14.593 -1.757 500 HH11 ARG 109 HH11 ARG 109 -2.359 14.754 -0.173 501 HH12 ARG 109 HH12 ARG 109 -2.317 16.490 -0.073 502 HH21 ARG 109 HH21 ARG 109 0.769 16.801 -1.564 503 HH22 ARG 109 HH22 ARG 109 -0.572 17.611 -0.815 504 H TYR 110 H TYR 110 -0.709 8.009 0.321 505 HA TYR 110 HA TYR 110 -2.881 7.213 2.209 506 HB2 TYR 110 HB2 TYR 110 -2.870 6.929 -0.804 507 HB3 TYR 110 HB3 TYR 110 -4.192 6.617 0.307 508 HD1 TYR 110 HD1 TYR 110 -4.947 8.729 1.780 509 HD2 TYR 110 HD2 TYR 110 -2.806 8.942 -1.949 510 HE1 TYR 110 HE1 TYR 110 -5.806 11.038 1.421 511 HE2 TYR 110 HE2 TYR 110 -3.692 11.250 -2.327 512 HH TYR 110 HH TYR 110 -5.834 12.883 0.028 513 HA PRO 111 HA PRO 111 0.433 4.044 1.894 514 HB2 PRO 111 HB2 PRO 111 0.251 2.927 4.397 515 HB3 PRO 111 HB3 PRO 111 1.045 4.494 4.056 516 HG2 PRO 111 HG2 PRO 111 -1.800 4.023 5.012 517 HG3 PRO 111 HG3 PRO 111 -0.573 5.138 5.701 518 HD2 PRO 111 HD2 PRO 111 -2.455 6.028 3.982 519 HD3 PRO 111 HD3 PRO 111 -0.770 6.630 3.862 520 H HIS 112 H HIS 112 -2.966 3.493 2.311 521 HA HIS 112 HA HIS 112 -2.861 0.587 2.192 522 HB2 HIS 112 HB2 HIS 112 -5.224 0.696 2.134 523 HB3 HIS 112 HB3 HIS 112 -4.611 1.804 3.350 524 HD2 HIS 112 HD2 HIS 112 -6.980 1.633 0.532 525 HE1 HIS 112 HE1 HIS 112 -6.234 5.798 0.909 526 HE2 HIS 112 HE2 HIS 112 -7.755 4.077 -0.124 527 H LEU 113 H LEU 113 -2.359 2.958 -0.257 528 HA LEU 113 HA LEU 113 -3.570 1.348 -2.392 529 HB2 LEU 113 HB2 LEU 113 -2.072 3.984 -2.361 530 HB3 LEU 113 HB3 LEU 113 -2.390 3.139 -3.863 531 HG LEU 113 HG LEU 113 -4.032 4.887 -3.539 532 HD11 LEU 113 HD11 LEU 113 -5.394 2.195 -3.105 533 HD12 LEU 113 HD12 LEU 113 -6.102 3.661 -3.762 534 HD13 LEU 113 HD13 LEU 113 -4.817 2.809 -4.673 535 HD21 LEU 113 HD21 LEU 113 -3.979 4.853 -1.050 536 HD22 LEU 113 HD22 LEU 113 -5.615 4.900 -1.760 537 HD23 LEU 113 HD23 LEU 113 -4.968 3.389 -1.103 538 H ARG 114 H ARG 114 -0.251 1.695 -1.131 539 HA ARG 114 HA ARG 114 1.070 0.559 -3.383 540 HB2 ARG 114 HB2 ARG 114 2.108 1.829 -1.465 541 HB3 ARG 114 HB3 ARG 114 1.962 0.366 -0.488 542 HG2 ARG 114 HG2 ARG 114 3.411 -0.855 -2.097 543 HG3 ARG 114 HG3 ARG 114 3.440 0.560 -3.159 544 HD2 ARG 114 HD2 ARG 114 5.508 0.483 -1.958 545 HD3 ARG 114 HD3 ARG 114 4.570 1.867 -1.369 546 HE ARG 114 HE ARG 114 4.038 -0.410 0.284 547 HH11 ARG 114 HH11 ARG 114 6.702 1.785 -0.321 548 HH12 ARG 114 HH12 ARG 114 7.372 1.554 1.270 549 HH21 ARG 114 HH21 ARG 114 4.939 -0.648 2.296 550 HH22 ARG 114 HH22 ARG 114 6.395 0.207 2.709 Start of MODEL 5 1 H1 MET 1 H1 MET 1 14.153 28.056 0.022 2 H2 MET 1 H2 MET 1 13.016 26.906 -0.241 3 H3 MET 1 H3 MET 1 12.767 28.063 0.882 4 HA MET 1 HA MET 1 11.447 28.553 -1.078 5 HB2 MET 1 HB2 MET 1 12.306 30.400 0.343 6 HB3 MET 1 HB3 MET 1 13.739 30.534 -0.675 7 HG2 MET 1 HG2 MET 1 12.297 31.148 -2.603 8 HG3 MET 1 HG3 MET 1 10.862 30.960 -1.588 9 HE1 MET 1 HE1 MET 1 10.057 33.374 -2.355 10 HE2 MET 1 HE2 MET 1 11.060 34.835 -2.218 11 HE3 MET 1 HE3 MET 1 11.522 33.547 -3.353 12 H ARG 2 H ARG 2 11.638 27.047 -2.795 13 HA ARG 2 HA ARG 2 13.406 27.846 -5.043 14 HB2 ARG 2 HB2 ARG 2 13.311 25.061 -3.786 15 HB3 ARG 2 HB3 ARG 2 13.895 25.336 -5.416 16 HG2 ARG 2 HG2 ARG 2 15.163 26.482 -2.900 17 HG3 ARG 2 HG3 ARG 2 15.720 25.089 -3.818 18 HD2 ARG 2 HD2 ARG 2 16.042 26.575 -5.829 19 HD3 ARG 2 HD3 ARG 2 15.594 27.959 -4.835 20 HE ARG 2 HE ARG 2 17.607 27.867 -3.678 21 HH11 ARG 2 HH11 ARG 2 17.523 25.114 -5.864 22 HH12 ARG 2 HH12 ARG 2 19.231 24.821 -5.690 23 HH21 ARG 2 HH21 ARG 2 19.768 27.422 -3.507 24 HH22 ARG 2 HH22 ARG 2 20.461 26.094 -4.386 25 H GLY 3 H GLY 3 12.859 26.915 -7.046 26 HA2 GLY 3 HA2 GLY 3 11.530 25.998 -8.684 27 HA3 GLY 3 HA3 GLY 3 10.361 25.475 -7.486 28 H SER 4 H SER 4 9.716 26.503 -9.992 29 HA SER 4 HA SER 4 8.745 29.285 -9.664 30 HB2 SER 4 HB2 SER 4 8.729 27.426 -12.070 31 HB3 SER 4 HB3 SER 4 8.286 29.145 -12.070 32 HG SER 4 HG SER 4 10.478 28.794 -12.729 33 H HIS 5 H HIS 5 6.529 29.786 -10.588 34 HA HIS 5 HA HIS 5 4.491 27.751 -9.752 35 HB2 HIS 5 HB2 HIS 5 3.146 29.554 -9.007 36 HB3 HIS 5 HB3 HIS 5 4.750 29.790 -8.319 37 HD2 HIS 5 HD2 HIS 5 2.070 31.682 -9.931 38 HE1 HIS 5 HE1 HIS 5 5.552 33.874 -11.063 39 HE2 HIS 5 HE2 HIS 5 3.010 33.930 -10.946 40 H HIS 6 H HIS 6 5.711 28.795 -12.566 41 HA HIS 6 HA HIS 6 3.723 30.226 -13.892 42 HB2 HIS 6 HB2 HIS 6 6.104 30.054 -14.526 43 HB3 HIS 6 HB3 HIS 6 5.858 28.385 -15.039 44 HD2 HIS 6 HD2 HIS 6 4.587 31.965 -15.967 45 HE1 HIS 6 HE1 HIS 6 4.536 29.617 -19.530 46 HE2 HIS 6 HE2 HIS 6 4.146 31.942 -18.569 47 H HIS 7 H HIS 7 3.897 26.697 -13.636 48 HA HIS 7 HA HIS 7 2.191 26.089 -15.850 49 HB2 HIS 7 HB2 HIS 7 2.751 24.479 -13.334 50 HB3 HIS 7 HB3 HIS 7 1.959 23.866 -14.784 51 HD2 HIS 7 HD2 HIS 7 5.325 24.125 -13.266 52 HE1 HIS 7 HE1 HIS 7 6.118 23.613 -17.428 53 HE2 HIS 7 HE2 HIS 7 7.147 23.593 -15.098 54 H HIS 8 H HIS 8 0.050 25.971 -16.124 55 HA HIS 8 HA HIS 8 -1.842 25.968 -13.866 56 HB2 HIS 8 HB2 HIS 8 -3.007 27.930 -14.524 57 HB3 HIS 8 HB3 HIS 8 -1.316 28.393 -14.435 58 HD2 HIS 8 HD2 HIS 8 -4.277 28.373 -16.746 59 HE1 HIS 8 HE1 HIS 8 -0.978 29.364 -19.265 60 HE2 HIS 8 HE2 HIS 8 -3.517 29.246 -19.116 61 H HIS 9 H HIS 9 -4.114 25.649 -14.608 62 HA HIS 9 HA HIS 9 -4.602 24.813 -17.353 63 HB2 HIS 9 HB2 HIS 9 -3.615 22.748 -16.301 64 HB3 HIS 9 HB3 HIS 9 -4.934 22.752 -15.130 65 HD2 HIS 9 HD2 HIS 9 -6.207 20.602 -15.893 66 HE1 HIS 9 HE1 HIS 9 -6.792 21.533 -20.015 67 HE2 HIS 9 HE2 HIS 9 -7.337 19.865 -18.164 68 H HIS 10 H HIS 10 -6.842 24.564 -17.826 69 HA HIS 10 HA HIS 10 -8.628 26.079 -15.996 70 HB2 HIS 10 HB2 HIS 10 -8.357 26.744 -18.365 71 HB3 HIS 10 HB3 HIS 10 -8.988 25.177 -18.876 72 HD2 HIS 10 HD2 HIS 10 -10.145 28.300 -16.825 73 HE1 HIS 10 HE1 HIS 10 -13.624 26.576 -18.597 74 HE2 HIS 10 HE2 HIS 10 -12.746 28.518 -17.202 75 H GLY 11 H GLY 11 -8.312 22.790 -17.284 76 HA2 GLY 11 HA2 GLY 11 -10.999 21.929 -16.695 77 HA3 GLY 11 HA3 GLY 11 -9.628 20.888 -17.055 78 H SER 12 H SER 12 -11.802 20.625 -15.072 79 HA SER 12 HA SER 12 -10.246 19.647 -12.816 80 HB2 SER 12 HB2 SER 12 -10.677 22.165 -12.399 81 HB3 SER 12 HB3 SER 12 -12.374 21.731 -12.195 82 HG SER 12 HG SER 12 -10.934 21.843 -10.318 83 H GLY 58 H GLY 58 -11.734 18.532 -11.204 84 HA2 GLY 58 HA2 GLY 58 -14.522 18.217 -11.670 85 HA3 GLY 58 HA3 GLY 58 -13.699 16.844 -12.409 86 H ALA 59 H ALA 59 -15.579 16.672 -10.330 87 HA ALA 59 HA ALA 59 -14.034 15.911 -7.922 88 HB1 ALA 59 HB1 ALA 59 -16.981 16.582 -8.237 89 HB2 ALA 59 HB2 ALA 59 -16.124 16.268 -6.711 90 HB3 ALA 59 HB3 ALA 59 -15.714 17.694 -7.678 91 H LEU 60 H LEU 60 -14.399 14.215 -10.390 92 HA LEU 60 HA LEU 60 -16.329 12.181 -9.831 93 HB2 LEU 60 HB2 LEU 60 -15.530 11.097 -11.798 94 HB3 LEU 60 HB3 LEU 60 -15.782 12.816 -12.008 95 HG LEU 60 HG LEU 60 -13.243 13.118 -11.819 96 HD11 LEU 60 HD11 LEU 60 -13.296 10.093 -12.213 97 HD12 LEU 60 HD12 LEU 60 -11.891 11.132 -12.522 98 HD13 LEU 60 HD13 LEU 60 -12.506 10.971 -10.883 99 HD21 LEU 60 HD21 LEU 60 -14.528 13.218 -13.903 100 HD22 LEU 60 HD22 LEU 60 -12.944 12.467 -14.173 101 HD23 LEU 60 HD23 LEU 60 -14.408 11.454 -14.077 102 H ALA 61 H ALA 61 -13.304 12.529 -8.419 103 HA ALA 61 HA ALA 61 -12.399 9.827 -8.183 104 HB1 ALA 61 HB1 ALA 61 -11.992 12.207 -6.319 105 HB2 ALA 61 HB2 ALA 61 -11.044 10.707 -6.326 106 HB3 ALA 61 HB3 ALA 61 -10.982 11.794 -7.722 107 H ALA 62 H ALA 62 -12.776 8.207 -6.746 108 HA ALA 62 HA ALA 62 -15.059 8.547 -4.912 109 HB1 ALA 62 HB1 ALA 62 -13.824 6.019 -6.082 110 HB2 ALA 62 HB2 ALA 62 -15.314 6.100 -5.121 111 HB3 ALA 62 HB3 ALA 62 -15.254 6.860 -6.724 112 H LEU 63 H LEU 63 -15.209 7.630 -2.888 113 HA LEU 63 HA LEU 63 -12.628 7.251 -1.439 114 HB2 LEU 63 HB2 LEU 63 -15.134 8.665 -0.454 115 HB3 LEU 63 HB3 LEU 63 -13.668 8.397 0.481 116 HG LEU 63 HG LEU 63 -13.891 10.177 -1.988 117 HD11 LEU 63 HD11 LEU 63 -13.554 10.870 0.961 118 HD12 LEU 63 HD12 LEU 63 -13.610 12.017 -0.396 119 HD13 LEU 63 HD13 LEU 63 -15.047 11.065 0.013 120 HD21 LEU 63 HD21 LEU 63 -11.627 9.281 -1.818 121 HD22 LEU 63 HD22 LEU 63 -11.635 10.972 -1.287 122 HD23 LEU 63 HD23 LEU 63 -11.565 9.671 -0.086 123 H HIS 64 H HIS 64 -12.576 5.802 0.227 124 HA HIS 64 HA HIS 64 -14.628 3.726 0.543 125 HB2 HIS 64 HB2 HIS 64 -12.140 4.526 2.066 126 HB3 HIS 64 HB3 HIS 64 -13.170 3.186 2.575 127 HD2 HIS 64 HD2 HIS 64 -10.084 3.785 0.757 128 HE1 HIS 64 HE1 HIS 64 -11.520 0.113 -0.846 129 HE2 HIS 64 HE2 HIS 64 -9.497 1.633 -0.654 130 H ALA 65 H ALA 65 -16.191 3.609 2.157 131 HA ALA 65 HA ALA 65 -16.800 6.174 3.526 132 HB1 ALA 65 HB1 ALA 65 -18.551 3.780 2.852 133 HB2 ALA 65 HB2 ALA 65 -19.096 5.344 3.491 134 HB3 ALA 65 HB3 ALA 65 -18.374 5.258 1.872 135 H GLU 66 H GLU 66 -15.680 3.036 4.463 136 HA GLU 66 HA GLU 66 -16.559 3.447 7.292 137 HB2 GLU 66 HB2 GLU 66 -16.873 0.948 5.584 138 HB3 GLU 66 HB3 GLU 66 -17.051 0.957 7.329 139 HG2 GLU 66 HG2 GLU 66 -18.782 2.501 5.355 140 HG3 GLU 66 HG3 GLU 66 -19.214 1.009 6.177 141 H GLY 67 H GLY 67 -15.450 2.221 8.885 142 HA2 GLY 67 HA2 GLY 67 -13.636 1.249 9.928 143 HA3 GLY 67 HA3 GLY 67 -13.168 0.608 8.357 144 HA PRO 68 HA PRO 68 -9.826 3.555 9.858 145 HB2 PRO 68 HB2 PRO 68 -7.746 2.098 8.697 146 HB3 PRO 68 HB3 PRO 68 -8.364 1.869 10.365 147 HG2 PRO 68 HG2 PRO 68 -9.067 0.325 7.856 148 HG3 PRO 68 HG3 PRO 68 -8.679 -0.318 9.485 149 HD2 PRO 68 HD2 PRO 68 -11.222 -0.086 8.669 150 HD3 PRO 68 HD3 PRO 68 -10.789 0.358 10.345 151 H LEU 69 H LEU 69 -10.638 2.203 6.736 152 HA LEU 69 HA LEU 69 -9.104 4.148 5.169 153 HB2 LEU 69 HB2 LEU 69 -10.603 1.617 4.747 154 HB3 LEU 69 HB3 LEU 69 -10.746 2.769 3.431 155 HG LEU 69 HG LEU 69 -8.385 2.808 3.043 156 HD11 LEU 69 HD11 LEU 69 -8.099 1.044 5.514 157 HD12 LEU 69 HD12 LEU 69 -6.813 1.356 4.333 158 HD13 LEU 69 HD13 LEU 69 -7.449 2.688 5.293 159 HD21 LEU 69 HD21 LEU 69 -9.666 0.864 2.134 160 HD22 LEU 69 HD22 LEU 69 -7.968 0.465 2.446 161 HD23 LEU 69 HD23 LEU 69 -9.231 -0.078 3.567 162 H ALA 70 H ALA 70 -12.072 4.432 6.804 163 HA ALA 70 HA ALA 70 -13.741 5.675 4.943 164 HB1 ALA 70 HB1 ALA 70 -13.371 6.351 7.888 165 HB2 ALA 70 HB2 ALA 70 -14.770 6.792 6.886 166 HB3 ALA 70 HB3 ALA 70 -14.428 5.087 7.225 167 H GLY 71 H GLY 71 -13.646 7.457 3.754 168 HA2 GLY 71 HA2 GLY 71 -13.299 9.747 3.286 169 HA3 GLY 71 HA3 GLY 71 -12.155 9.865 4.636 170 H LEU 72 H LEU 72 -11.162 7.165 2.961 171 HA LEU 72 HA LEU 72 -9.064 8.781 1.593 172 HB2 LEU 72 HB2 LEU 72 -9.054 5.896 2.494 173 HB3 LEU 72 HB3 LEU 72 -7.679 6.831 1.917 174 HG LEU 72 HG LEU 72 -9.112 7.125 4.566 175 HD11 LEU 72 HD11 LEU 72 -6.206 6.543 3.862 176 HD12 LEU 72 HD12 LEU 72 -6.947 6.514 5.476 177 HD13 LEU 72 HD13 LEU 72 -7.408 5.308 4.262 178 HD21 LEU 72 HD21 LEU 72 -8.591 9.402 3.857 179 HD22 LEU 72 HD22 LEU 72 -7.447 8.895 5.101 180 HD23 LEU 72 HD23 LEU 72 -6.940 8.918 3.399 181 HA PRO 73 HA PRO 73 -10.172 7.565 -2.546 182 HB2 PRO 73 HB2 PRO 73 -7.742 6.933 -3.699 183 HB3 PRO 73 HB3 PRO 73 -8.304 8.599 -3.392 184 HG2 PRO 73 HG2 PRO 73 -6.518 6.861 -1.646 185 HG3 PRO 73 HG3 PRO 73 -6.227 8.545 -2.161 186 HD2 PRO 73 HD2 PRO 73 -7.236 8.042 0.249 187 HD3 PRO 73 HD3 PRO 73 -7.961 9.351 -0.711 188 H VAL 74 H VAL 74 -10.831 5.770 -3.691 189 HA VAL 74 HA VAL 74 -10.350 3.157 -2.457 190 HB VAL 74 HB VAL 74 -11.940 3.800 -4.961 191 HG11 VAL 74 HG11 VAL 74 -11.848 1.324 -3.194 192 HG12 VAL 74 HG12 VAL 74 -13.023 1.615 -4.496 193 HG13 VAL 74 HG13 VAL 74 -11.314 1.427 -4.887 194 HG21 VAL 74 HG21 VAL 74 -12.883 4.908 -2.965 195 HG22 VAL 74 HG22 VAL 74 -13.902 3.563 -3.474 196 HG23 VAL 74 HG23 VAL 74 -12.822 3.366 -2.075 197 H THR 75 H THR 75 -9.402 4.736 -5.505 198 HA THR 75 HA THR 75 -7.122 2.822 -5.711 199 HB THR 75 HB THR 75 -8.671 1.968 -7.260 200 HG1 THR 75 HG1 THR 75 -7.433 2.103 -9.089 201 HG21 THR 75 HG21 THR 75 -8.901 4.825 -8.210 202 HG22 THR 75 HG22 THR 75 -9.394 3.433 -9.221 203 HG23 THR 75 HG23 THR 75 -10.170 3.720 -7.652 204 H ARG 76 H ARG 76 -5.387 3.572 -7.197 205 HA ARG 76 HA ARG 76 -4.397 6.087 -6.206 206 HB2 ARG 76 HB2 ARG 76 -2.436 5.696 -7.518 207 HB3 ARG 76 HB3 ARG 76 -2.945 4.170 -6.804 208 HG2 ARG 76 HG2 ARG 76 -3.937 3.497 -9.026 209 HG3 ARG 76 HG3 ARG 76 -3.405 5.044 -9.693 210 HD2 ARG 76 HD2 ARG 76 -1.734 3.545 -10.350 211 HD3 ARG 76 HD3 ARG 76 -1.040 4.433 -8.988 212 HE ARG 76 HE ARG 76 -2.345 1.945 -8.185 213 HH11 ARG 76 HH11 ARG 76 0.728 3.229 -9.333 214 HH12 ARG 76 HH12 ARG 76 1.528 1.685 -9.136 215 HH21 ARG 76 HH21 ARG 76 -1.186 0.085 -7.758 216 HH22 ARG 76 HH22 ARG 76 0.498 0.001 -8.162 217 H SER 77 H SER 77 -6.173 5.345 -9.156 218 HA SER 77 HA SER 77 -5.846 7.955 -10.347 219 HB2 SER 77 HB2 SER 77 -7.980 5.822 -10.663 220 HB3 SER 77 HB3 SER 77 -7.921 7.317 -11.627 221 HG SER 77 HG SER 77 -6.776 5.372 -12.500 222 H ASP 78 H ASP 78 -8.163 6.777 -7.857 223 HA ASP 78 HA ASP 78 -9.657 9.278 -7.782 224 HB2 ASP 78 HB2 ASP 78 -9.213 7.337 -5.487 225 HB3 ASP 78 HB3 ASP 78 -10.446 8.583 -5.597 226 H ALA 79 H ALA 79 -6.814 7.960 -5.992 227 HA ALA 79 HA ALA 79 -6.371 10.251 -4.362 228 HB1 ALA 79 HB1 ALA 79 -4.232 8.398 -5.498 229 HB2 ALA 79 HB2 ALA 79 -4.208 9.294 -3.961 230 HB3 ALA 79 HB3 ALA 79 -5.319 7.931 -4.183 231 H ARG 80 H ARG 80 -4.992 9.551 -7.596 232 HA ARG 80 HA ARG 80 -3.534 11.950 -8.064 233 HB2 ARG 80 HB2 ARG 80 -3.665 9.750 -9.416 234 HB3 ARG 80 HB3 ARG 80 -5.135 10.396 -10.149 235 HG2 ARG 80 HG2 ARG 80 -3.666 12.446 -10.790 236 HG3 ARG 80 HG3 ARG 80 -2.290 11.442 -10.305 237 HD2 ARG 80 HD2 ARG 80 -4.263 10.974 -12.564 238 HD3 ARG 80 HD3 ARG 80 -2.538 11.279 -12.689 239 HE ARG 80 HE ARG 80 -2.082 9.074 -11.718 240 HH11 ARG 80 HH11 ARG 80 -5.297 9.442 -13.113 241 HH12 ARG 80 HH12 ARG 80 -5.621 7.727 -12.975 242 HH21 ARG 80 HH21 ARG 80 -2.576 6.879 -11.726 243 HH22 ARG 80 HH22 ARG 80 -4.184 6.370 -12.199 244 H VAL 81 H VAL 81 -6.995 11.283 -8.815 245 HA VAL 81 HA VAL 81 -7.410 13.982 -9.792 246 HB VAL 81 HB VAL 81 -9.330 11.738 -9.165 247 HG11 VAL 81 HG11 VAL 81 -9.916 14.438 -10.484 248 HG12 VAL 81 HG12 VAL 81 -11.021 13.047 -10.453 249 HG13 VAL 81 HG13 VAL 81 -10.597 13.865 -8.950 250 HG21 VAL 81 HG21 VAL 81 -7.806 11.412 -11.114 251 HG22 VAL 81 HG22 VAL 81 -9.492 11.591 -11.612 252 HG23 VAL 81 HG23 VAL 81 -8.364 12.950 -11.796 253 H LEU 82 H LEU 82 -7.972 12.500 -6.540 254 HA LEU 82 HA LEU 82 -9.236 14.812 -5.397 255 HB2 LEU 82 HB2 LEU 82 -7.453 12.641 -4.236 256 HB3 LEU 82 HB3 LEU 82 -8.199 13.872 -3.234 257 HG LEU 82 HG LEU 82 -9.826 12.019 -5.003 258 HD11 LEU 82 HD11 LEU 82 -9.290 11.699 -2.031 259 HD12 LEU 82 HD12 LEU 82 -10.171 10.594 -3.126 260 HD13 LEU 82 HD13 LEU 82 -8.426 10.807 -3.295 261 HD21 LEU 82 HD21 LEU 82 -11.050 14.030 -4.299 262 HD22 LEU 82 HD22 LEU 82 -11.674 12.593 -3.480 263 HD23 LEU 82 HD23 LEU 82 -10.610 13.717 -2.606 264 H ILE 83 H ILE 83 -5.725 13.945 -5.576 265 HA ILE 83 HA ILE 83 -4.780 16.389 -4.403 266 HB ILE 83 HB ILE 83 -3.452 14.491 -6.376 267 HG12 ILE 83 HG12 ILE 83 -2.907 14.804 -3.386 268 HG13 ILE 83 HG13 ILE 83 -4.110 13.676 -3.995 269 HG21 ILE 83 HG21 ILE 83 -2.288 16.841 -4.803 270 HG22 ILE 83 HG22 ILE 83 -1.298 15.604 -5.580 271 HG23 ILE 83 HG23 ILE 83 -2.308 16.651 -6.570 272 HD11 ILE 83 HD11 ILE 83 -1.133 13.573 -4.577 273 HD12 ILE 83 HD12 ILE 83 -2.108 12.437 -3.632 274 HD13 ILE 83 HD13 ILE 83 -2.359 12.555 -5.378 275 H PHE 84 H PHE 84 -5.401 15.535 -7.839 276 HA PHE 84 HA PHE 84 -4.570 17.967 -8.998 277 HB2 PHE 84 HB2 PHE 84 -5.056 15.935 -10.278 278 HB3 PHE 84 HB3 PHE 84 -6.728 15.991 -9.764 279 HD1 PHE 84 HD2 PHE 84 -5.007 19.099 -10.891 280 HD2 PHE 84 HD1 PHE 84 -7.648 15.854 -11.956 281 HE1 PHE 84 HE2 PHE 84 -5.610 20.283 -12.940 282 HE2 PHE 84 HE1 PHE 84 -8.297 17.076 -14.016 283 HZ PHE 84 HZ PHE 84 -7.293 19.285 -14.516 284 H ASN 85 H ASN 85 -7.946 17.090 -7.971 285 HA ASN 85 HA ASN 85 -8.983 19.671 -8.658 286 HB2 ASN 85 HB2 ASN 85 -10.365 17.668 -8.565 287 HB3 ASN 85 HB3 ASN 85 -10.015 17.444 -6.851 288 HD21 ASN 85 HD22 ASN 85 -11.429 19.990 -9.068 289 HD22 ASN 85 HD21 ASN 85 -12.634 20.454 -7.884 290 H GLU 86 H GLU 86 -7.677 18.384 -5.572 291 HA GLU 86 HA GLU 86 -8.251 20.691 -3.970 292 HB2 GLU 86 HB2 GLU 86 -7.543 18.527 -3.037 293 HB3 GLU 86 HB3 GLU 86 -5.942 18.711 -3.772 294 HG2 GLU 86 HG2 GLU 86 -5.527 20.723 -2.401 295 HG3 GLU 86 HG3 GLU 86 -7.161 20.631 -1.740 296 H TRP 87 H TRP 87 -5.191 19.882 -5.834 297 HA TRP 87 HA TRP 87 -3.915 22.357 -5.491 298 HB2 TRP 87 HB2 TRP 87 -2.737 20.544 -6.532 299 HB3 TRP 87 HB3 TRP 87 -3.960 20.374 -7.787 300 HD1 TRP 87 HD1 TRP 87 -1.069 22.624 -6.765 301 HE1 TRP 87 HE1 TRP 87 -0.359 24.131 -8.741 302 HE3 TRP 87 HE3 TRP 87 -4.796 21.429 -10.061 303 HZ2 TRP 87 HZ2 TRP 87 -1.233 24.626 -11.435 304 HZ3 TRP 87 HZ3 TRP 87 -4.888 22.507 -12.292 305 HH2 TRP 87 HH2 TRP 87 -3.123 24.098 -12.984 306 H GLU 88 H GLU 88 -6.367 21.466 -8.023 307 HA GLU 88 HA GLU 88 -6.174 23.912 -9.387 308 HB2 GLU 88 HB2 GLU 88 -7.101 21.792 -10.226 309 HB3 GLU 88 HB3 GLU 88 -8.521 21.980 -9.211 310 HG2 GLU 88 HG2 GLU 88 -7.643 24.086 -11.217 311 HG3 GLU 88 HG3 GLU 88 -8.553 22.670 -11.717 312 H GLU 89 H GLU 89 -8.458 23.042 -6.714 313 HA GLU 89 HA GLU 89 -9.815 25.573 -6.693 314 HB2 GLU 89 HB2 GLU 89 -10.568 23.459 -5.531 315 HB3 GLU 89 HB3 GLU 89 -9.295 23.724 -4.329 316 HG2 GLU 89 HG2 GLU 89 -10.337 25.999 -3.865 317 HG3 GLU 89 HG3 GLU 89 -11.650 25.558 -4.953 318 H ARG 90 H ARG 90 -6.939 24.424 -4.843 319 HA ARG 90 HA ARG 90 -6.470 26.893 -3.416 320 HB2 ARG 90 HB2 ARG 90 -4.485 24.812 -4.385 321 HB3 ARG 90 HB3 ARG 90 -4.130 26.059 -3.191 322 HG2 ARG 90 HG2 ARG 90 -6.217 23.885 -2.780 323 HG3 ARG 90 HG3 ARG 90 -4.518 23.719 -2.419 324 HD2 ARG 90 HD2 ARG 90 -5.662 24.249 -0.357 325 HD3 ARG 90 HD3 ARG 90 -4.724 25.662 -0.816 326 HE ARG 90 HE ARG 90 -6.677 26.866 -0.875 327 HH11 ARG 90 HH11 ARG 90 -7.738 23.493 -1.202 328 HH12 ARG 90 HH12 ARG 90 -9.408 24.031 -1.412 329 HH21 ARG 90 HH21 ARG 90 -8.911 27.302 -1.063 330 HH22 ARG 90 HH22 ARG 90 -9.989 25.926 -1.319 331 H LYS 91 H LYS 91 -4.991 25.692 -6.389 332 HA LYS 91 HA LYS 91 -3.481 27.909 -7.185 333 HB2 LYS 91 HB2 LYS 91 -3.582 25.615 -8.300 334 HB3 LYS 91 HB3 LYS 91 -5.075 26.117 -9.080 335 HG2 LYS 91 HG2 LYS 91 -3.342 26.374 -10.655 336 HG3 LYS 91 HG3 LYS 91 -3.756 28.015 -10.167 337 HD2 LYS 91 HD2 LYS 91 -1.791 28.124 -8.698 338 HD3 LYS 91 HD3 LYS 91 -1.474 26.399 -8.940 339 HE2 LYS 91 HE2 LYS 91 -1.138 26.853 -11.397 340 HE3 LYS 91 HE3 LYS 91 -1.310 28.581 -11.071 341 HZ1 LYS 91 HZ1 LYS 91 0.763 26.856 -9.782 342 HZ2 LYS 91 HZ2 LYS 91 1.041 27.817 -11.104 343 HZ3 LYS 91 HZ3 LYS 91 0.628 28.498 -9.675 344 H LYS 92 H LYS 92 -6.997 27.430 -7.816 345 HA LYS 92 HA LYS 92 -7.362 29.905 -9.252 346 HB2 LYS 92 HB2 LYS 92 -8.850 28.129 -9.604 347 HB3 LYS 92 HB3 LYS 92 -9.156 27.865 -7.899 348 HG2 LYS 92 HG2 LYS 92 -9.983 30.515 -9.090 349 HG3 LYS 92 HG3 LYS 92 -10.905 29.066 -9.500 350 HD2 LYS 92 HD2 LYS 92 -11.346 28.562 -7.157 351 HD3 LYS 92 HD3 LYS 92 -10.293 29.858 -6.627 352 HE2 LYS 92 HE2 LYS 92 -12.531 30.648 -6.380 353 HE3 LYS 92 HE3 LYS 92 -11.795 31.544 -7.709 354 HZ1 LYS 92 HZ1 LYS 92 -13.650 29.226 -8.035 355 HZ2 LYS 92 HZ2 LYS 92 -14.059 30.789 -8.241 356 HZ3 LYS 92 HZ3 LYS 92 -13.007 30.093 -9.271 357 H SER 93 H SER 93 -7.561 29.094 -5.770 358 HA SER 93 HA SER 93 -8.392 31.793 -5.029 359 HB2 SER 93 HB2 SER 93 -8.839 29.602 -3.796 360 HB3 SER 93 HB3 SER 93 -7.167 29.712 -3.205 361 HG SER 93 HG SER 93 -8.700 30.705 -1.763 362 H ASP 94 H ASP 94 -5.246 30.199 -5.284 363 HA ASP 94 HA ASP 94 -3.701 32.608 -4.606 364 HB2 ASP 94 HB2 ASP 94 -3.676 29.982 -3.080 365 HB3 ASP 94 HB3 ASP 94 -2.313 31.093 -3.087 366 HA PRO 95 HA PRO 95 -2.224 30.574 -8.281 367 HB2 PRO 95 HB2 PRO 95 -0.528 32.490 -9.284 368 HB3 PRO 95 HB3 PRO 95 -2.302 32.691 -9.186 369 HG2 PRO 95 HG2 PRO 95 -0.240 33.571 -7.118 370 HG3 PRO 95 HG3 PRO 95 -1.475 34.603 -7.943 371 HD2 PRO 95 HD2 PRO 95 -1.966 33.564 -5.528 372 HD3 PRO 95 HD3 PRO 95 -3.262 33.431 -6.765 373 H TRP 96 H TRP 96 0.056 31.056 -5.718 374 HA TRP 96 HA TRP 96 2.479 30.455 -7.031 375 HB2 TRP 96 HB2 TRP 96 3.412 30.210 -4.870 376 HB3 TRP 96 HB3 TRP 96 2.181 31.453 -4.748 377 HD1 TRP 96 HD1 TRP 96 -0.274 30.472 -3.774 378 HE1 TRP 96 HE1 TRP 96 -0.710 28.842 -1.825 379 HE3 TRP 96 HE3 TRP 96 4.297 28.197 -3.616 380 HZ2 TRP 96 HZ2 TRP 96 0.749 26.793 -0.407 381 HZ3 TRP 96 HZ3 TRP 96 4.740 26.368 -1.985 382 HH2 TRP 96 HH2 TRP 96 2.981 25.668 -0.377 383 H LEU 97 H LEU 97 -0.002 28.165 -6.007 384 HA LEU 97 HA LEU 97 1.720 26.187 -5.151 385 HB2 LEU 97 HB2 LEU 97 -0.719 26.568 -4.588 386 HB3 LEU 97 HB3 LEU 97 -1.130 25.784 -6.117 387 HG LEU 97 HG LEU 97 0.045 23.700 -5.277 388 HD11 LEU 97 HD11 LEU 97 0.086 25.202 -2.634 389 HD12 LEU 97 HD12 LEU 97 0.427 23.475 -2.852 390 HD13 LEU 97 HD13 LEU 97 1.516 24.679 -3.544 391 HD21 LEU 97 HD21 LEU 97 -2.407 24.081 -5.131 392 HD22 LEU 97 HD22 LEU 97 -1.793 23.047 -3.819 393 HD23 LEU 97 HD23 LEU 97 -2.166 24.758 -3.500 394 H ARG 98 H ARG 98 2.487 24.214 -5.925 395 HA ARG 98 HA ARG 98 2.286 23.600 -8.855 396 HB2 ARG 98 HB2 ARG 98 4.311 22.768 -6.732 397 HB3 ARG 98 HB3 ARG 98 4.257 22.104 -8.368 398 HG2 ARG 98 HG2 ARG 98 4.582 24.377 -9.312 399 HG3 ARG 98 HG3 ARG 98 4.727 25.042 -7.679 400 HD2 ARG 98 HD2 ARG 98 6.503 22.803 -8.744 401 HD3 ARG 98 HD3 ARG 98 6.918 24.489 -8.936 402 HE ARG 98 HE ARG 98 7.031 22.893 -6.479 403 HH11 ARG 98 HH11 ARG 98 7.073 26.203 -7.687 404 HH12 ARG 98 HH12 ARG 98 7.956 26.773 -6.284 405 HH21 ARG 98 HH21 ARG 98 8.255 23.710 -4.799 406 HH22 ARG 98 HH22 ARG 98 8.785 25.368 -4.843 407 H LEU 99 H LEU 99 1.793 21.522 -9.557 408 HA LEU 99 HA LEU 99 0.091 19.892 -7.731 409 HB2 LEU 99 HB2 LEU 99 -0.686 20.970 -9.966 410 HB3 LEU 99 HB3 LEU 99 0.296 19.771 -10.752 411 HG LEU 99 HG LEU 99 -2.283 19.314 -9.150 412 HD11 LEU 99 HD11 LEU 99 -1.359 18.660 -11.983 413 HD12 LEU 99 HD12 LEU 99 -2.938 18.263 -11.296 414 HD13 LEU 99 HD13 LEU 99 -2.475 19.963 -11.526 415 HD21 LEU 99 HD21 LEU 99 -0.848 17.560 -8.425 416 HD22 LEU 99 HD22 LEU 99 -2.053 16.971 -9.557 417 HD23 LEU 99 HD23 LEU 99 -0.367 17.215 -10.118 418 H ASP 100 H ASP 100 1.099 18.098 -6.865 419 HA ASP 100 HA ASP 100 3.011 16.518 -8.546 420 HB2 ASP 100 HB2 ASP 100 3.384 17.434 -5.676 421 HB3 ASP 100 HB3 ASP 100 4.289 16.112 -6.403 422 H MET 101 H MET 101 2.176 14.581 -8.883 423 HA MET 101 HA MET 101 1.116 12.936 -6.693 424 HB2 MET 101 HB2 MET 101 -1.052 12.503 -8.116 425 HB3 MET 101 HB3 MET 101 -0.920 13.861 -7.031 426 HG2 MET 101 HG2 MET 101 -1.997 14.665 -8.918 427 HG3 MET 101 HG3 MET 101 -0.382 15.326 -8.945 428 HE1 MET 101 HE1 MET 101 -1.776 15.883 -11.536 429 HE2 MET 101 HE2 MET 101 -2.139 14.516 -12.612 430 HE3 MET 101 HE3 MET 101 -2.978 14.664 -11.048 431 H SER 102 H SER 102 3.404 12.499 -7.836 432 HA SER 102 HA SER 102 3.305 10.252 -9.700 433 HB2 SER 102 HB2 SER 102 5.377 11.493 -9.272 434 HB3 SER 102 HB3 SER 102 5.334 11.019 -7.562 435 HG SER 102 HG SER 102 6.700 9.696 -8.996 436 H ASP 103 H ASP 103 3.560 8.001 -9.079 437 HA ASP 103 HA ASP 103 1.689 6.963 -7.263 438 HB2 ASP 103 HB2 ASP 103 4.289 5.726 -8.264 439 HB3 ASP 103 HB3 ASP 103 2.985 4.840 -7.482 440 H LYS 104 H LYS 104 5.105 7.777 -6.667 441 HA LYS 104 HA LYS 104 5.299 6.757 -3.970 442 HB2 LYS 104 HB2 LYS 104 6.800 8.941 -5.486 443 HB3 LYS 104 HB3 LYS 104 7.124 8.572 -3.799 444 HG2 LYS 104 HG2 LYS 104 8.747 7.440 -5.064 445 HG3 LYS 104 HG3 LYS 104 7.667 6.226 -4.379 446 HD2 LYS 104 HD2 LYS 104 6.606 5.867 -6.555 447 HD3 LYS 104 HD3 LYS 104 7.501 7.245 -7.253 448 HE2 LYS 104 HE2 LYS 104 9.644 6.062 -6.771 449 HE3 LYS 104 HE3 LYS 104 8.740 4.690 -6.122 450 HZ1 LYS 104 HZ1 LYS 104 8.582 5.659 -8.939 451 HZ2 LYS 104 HZ2 LYS 104 9.378 4.324 -8.444 452 HZ3 LYS 104 HZ3 LYS 104 7.752 4.378 -8.342 453 H ALA 105 H ALA 105 4.154 9.941 -5.195 454 HA ALA 105 HA ALA 105 3.767 11.098 -2.560 455 HB1 ALA 105 HB1 ALA 105 2.516 11.818 -5.238 456 HB2 ALA 105 HB2 ALA 105 2.531 12.816 -3.773 457 HB3 ALA 105 HB3 ALA 105 4.052 12.458 -4.608 458 H ILE 106 H ILE 106 1.717 9.209 -4.794 459 HA ILE 106 HA ILE 106 -0.636 9.415 -3.104 460 HB ILE 106 HB ILE 106 0.134 7.613 -5.408 461 HG12 ILE 106 HG12 ILE 106 -1.929 8.646 -6.372 462 HG13 ILE 106 HG13 ILE 106 -2.154 9.569 -4.879 463 HG21 ILE 106 HG21 ILE 106 -2.363 7.277 -3.673 464 HG22 ILE 106 HG22 ILE 106 -2.143 6.585 -5.294 465 HG23 ILE 106 HG23 ILE 106 -1.099 6.061 -3.985 466 HD11 ILE 106 HD11 ILE 106 0.214 9.804 -6.735 467 HD12 ILE 106 HD12 ILE 106 -1.189 10.894 -6.687 468 HD13 ILE 106 HD13 ILE 106 -0.083 10.826 -5.303 469 H PHE 107 H PHE 107 1.884 6.878 -3.316 470 HA PHE 107 HA PHE 107 0.710 5.296 -1.231 471 HB2 PHE 107 HB2 PHE 107 3.648 5.382 -1.952 472 HB3 PHE 107 HB3 PHE 107 2.763 4.091 -1.121 473 HD1 PHE 107 HD2 PHE 107 0.267 4.143 -3.001 474 HD2 PHE 107 HD1 PHE 107 4.521 3.948 -3.683 475 HE1 PHE 107 HE2 PHE 107 -0.135 2.931 -5.091 476 HE2 PHE 107 HE1 PHE 107 4.112 2.705 -5.792 477 HZ PHE 107 HZ PHE 107 1.787 2.189 -6.503 478 H ARG 108 H ARG 108 3.027 8.019 -1.004 479 HA ARG 108 HA ARG 108 3.467 7.782 1.854 480 HB2 ARG 108 HB2 ARG 108 3.842 9.997 -0.205 481 HB3 ARG 108 HB3 ARG 108 4.199 10.249 1.490 482 HG2 ARG 108 HG2 ARG 108 5.491 8.021 -0.139 483 HG3 ARG 108 HG3 ARG 108 6.175 9.642 0.037 484 HD2 ARG 108 HD2 ARG 108 6.242 9.348 2.499 485 HD3 ARG 108 HD3 ARG 108 5.616 7.693 2.311 486 HE ARG 108 HE ARG 108 7.890 7.904 0.656 487 HH11 ARG 108 HH11 ARG 108 7.265 7.982 4.107 488 HH12 ARG 108 HH12 ARG 108 8.855 7.384 4.501 489 HH21 ARG 108 HH21 ARG 108 9.900 7.147 1.230 490 HH22 ARG 108 HH22 ARG 108 10.304 6.923 2.907 491 H ARG 109 H ARG 109 1.117 9.697 -0.056 492 HA ARG 109 HA ARG 109 -0.108 10.918 2.306 493 HB2 ARG 109 HB2 ARG 109 -0.972 10.639 -0.602 494 HB3 ARG 109 HB3 ARG 109 -1.948 11.464 0.620 495 HG2 ARG 109 HG2 ARG 109 -0.196 13.089 1.057 496 HG3 ARG 109 HG3 ARG 109 0.927 12.259 -0.028 497 HD2 ARG 109 HD2 ARG 109 -0.497 12.707 -1.948 498 HD3 ARG 109 HD3 ARG 109 -1.738 13.443 -0.932 499 HE ARG 109 HE ARG 109 0.835 14.606 -1.788 500 HH11 ARG 109 HH11 ARG 109 -1.840 15.047 0.452 501 HH12 ARG 109 HH12 ARG 109 -1.478 16.732 0.679 502 HH21 ARG 109 HH21 ARG 109 1.240 16.753 -1.424 503 HH22 ARG 109 HH22 ARG 109 0.232 17.662 -0.340 504 H TYR 110 H TYR 110 -0.837 8.055 0.379 505 HA TYR 110 HA TYR 110 -3.031 7.271 2.250 506 HB2 TYR 110 HB2 TYR 110 -2.975 6.938 -0.759 507 HB3 TYR 110 HB3 TYR 110 -4.296 6.577 0.347 508 HD1 TYR 110 HD2 TYR 110 -5.175 8.616 1.795 509 HD2 TYR 110 HD1 TYR 110 -2.930 8.997 -1.863 510 HE1 TYR 110 HE2 TYR 110 -6.118 10.903 1.453 511 HE2 TYR 110 HE1 TYR 110 -3.875 11.282 -2.208 512 HH TYR 110 HH TYR 110 -5.267 12.932 -1.374 513 HA PRO 111 HA PRO 111 0.303 4.154 2.144 514 HB2 PRO 111 HB2 PRO 111 0.017 3.065 4.649 515 HB3 PRO 111 HB3 PRO 111 0.761 4.663 4.336 516 HG2 PRO 111 HG2 PRO 111 -2.117 4.078 5.112 517 HG3 PRO 111 HG3 PRO 111 -0.981 5.244 5.874 518 HD2 PRO 111 HD2 PRO 111 -2.776 6.051 4.026 519 HD3 PRO 111 HD3 PRO 111 -1.113 6.719 4.017 520 H HIS 112 H HIS 112 -3.088 3.513 2.273 521 HA HIS 112 HA HIS 112 -2.830 0.595 2.154 522 HB2 HIS 112 HB2 HIS 112 -5.203 0.581 2.050 523 HB3 HIS 112 HB3 HIS 112 -4.694 1.713 3.296 524 HD2 HIS 112 HD2 HIS 112 -6.935 1.438 0.359 525 HE1 HIS 112 HE1 HIS 112 -6.392 5.631 0.757 526 HE2 HIS 112 HE2 HIS 112 -7.771 3.847 -0.356 527 H LEU 113 H LEU 113 -2.323 3.022 -0.199 528 HA LEU 113 HA LEU 113 -3.388 1.427 -2.424 529 HB2 LEU 113 HB2 LEU 113 -1.944 4.085 -2.261 530 HB3 LEU 113 HB3 LEU 113 -2.141 3.257 -3.795 531 HG LEU 113 HG LEU 113 -3.844 4.980 -3.515 532 HD11 LEU 113 HD11 LEU 113 -5.147 2.234 -3.346 533 HD12 LEU 113 HD12 LEU 113 -5.844 3.723 -3.973 534 HD13 LEU 113 HD13 LEU 113 -4.463 2.963 -4.821 535 HD21 LEU 113 HD21 LEU 113 -4.007 4.804 -1.021 536 HD22 LEU 113 HD22 LEU 113 -5.569 4.862 -1.875 537 HD23 LEU 113 HD23 LEU 113 -4.954 3.325 -1.249 538 H ARG 114 H ARG 114 -0.156 1.900 -0.995 539 HA ARG 114 HA ARG 114 1.216 0.325 -3.018 540 HB2 ARG 114 HB2 ARG 114 3.034 0.167 -1.325 541 HB3 ARG 114 HB3 ARG 114 2.605 1.790 -1.830 542 HG2 ARG 114 HG2 ARG 114 1.411 2.201 0.263 543 HG3 ARG 114 HG3 ARG 114 1.647 0.516 0.772 544 HD2 ARG 114 HD2 ARG 114 4.077 0.851 0.865 545 HD3 ARG 114 HD3 ARG 114 3.907 2.471 0.201 546 HE ARG 114 HE ARG 114 3.311 3.298 2.256 547 HH11 ARG 114 HH11 ARG 114 3.093 -0.198 2.527 548 HH12 ARG 114 HH12 ARG 114 2.944 -0.139 4.260 549 HH21 ARG 114 HH21 ARG 114 3.168 3.282 4.470 550 HH22 ARG 114 HH22 ARG 114 2.975 1.781 5.321 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -20.755 25.534 -24.453 2 H2 MET 1 H2 MET 1 -21.775 26.265 -25.503 3 H3 MET 1 H3 MET 1 -22.145 26.210 -23.912 4 HA MET 1 HA MET 1 -21.398 28.416 -24.509 5 HB2 MET 1 HB2 MET 1 -20.966 27.527 -22.213 6 HB3 MET 1 HB3 MET 1 -19.380 26.958 -22.732 7 HG2 MET 1 HG2 MET 1 -19.255 29.055 -21.480 8 HG3 MET 1 HG3 MET 1 -18.639 29.256 -23.111 9 HE1 MET 1 HE1 MET 1 -18.664 31.865 -22.884 10 HE2 MET 1 HE2 MET 1 -20.066 32.804 -22.324 11 HE3 MET 1 HE3 MET 1 -19.241 31.691 -21.209 12 H ARG 2 H ARG 2 -19.805 29.819 -25.415 13 HA ARG 2 HA ARG 2 -18.224 28.710 -27.604 14 HB2 ARG 2 HB2 ARG 2 -18.451 31.514 -26.413 15 HB3 ARG 2 HB3 ARG 2 -17.509 31.146 -27.849 16 HG2 ARG 2 HG2 ARG 2 -20.523 30.718 -27.628 17 HG3 ARG 2 HG3 ARG 2 -19.733 32.128 -28.331 18 HD2 ARG 2 HD2 ARG 2 -18.586 30.628 -29.983 19 HD3 ARG 2 HD3 ARG 2 -19.525 29.268 -29.374 20 HE ARG 2 HE ARG 2 -20.479 31.591 -30.953 21 HH11 ARG 2 HH11 ARG 2 -21.491 28.649 -29.319 22 HH12 ARG 2 HH12 ARG 2 -23.029 28.631 -30.134 23 HH21 ARG 2 HH21 ARG 2 -22.445 31.494 -31.947 24 HH22 ARG 2 HH22 ARG 2 -23.550 30.201 -31.583 25 H GLY 3 H GLY 3 -16.003 29.062 -27.978 26 HA2 GLY 3 HA2 GLY 3 -13.732 29.215 -27.438 27 HA3 GLY 3 HA3 GLY 3 -14.123 29.451 -25.740 28 H SER 4 H SER 4 -13.009 27.256 -28.059 29 HA SER 4 HA SER 4 -13.753 24.777 -26.676 30 HB2 SER 4 HB2 SER 4 -13.613 25.054 -29.159 31 HB3 SER 4 HB3 SER 4 -11.852 25.198 -29.005 32 HG SER 4 HG SER 4 -12.561 23.035 -29.477 33 H HIS 5 H HIS 5 -10.927 26.884 -26.747 34 HA HIS 5 HA HIS 5 -9.051 24.957 -25.706 35 HB2 HIS 5 HB2 HIS 5 -7.478 26.662 -25.728 36 HB3 HIS 5 HB3 HIS 5 -8.515 27.004 -27.096 37 HD2 HIS 5 HD2 HIS 5 -10.788 28.562 -25.026 38 HE1 HIS 5 HE1 HIS 5 -7.604 31.376 -24.689 39 HE2 HIS 5 HE2 HIS 5 -10.095 31.000 -24.331 40 H HIS 6 H HIS 6 -7.742 25.365 -23.696 41 HA HIS 6 HA HIS 6 -9.467 25.388 -21.335 42 HB2 HIS 6 HB2 HIS 6 -6.533 24.937 -21.860 43 HB3 HIS 6 HB3 HIS 6 -7.071 25.345 -20.243 44 HD2 HIS 6 HD2 HIS 6 -7.793 22.600 -22.922 45 HE1 HIS 6 HE1 HIS 6 -8.637 20.961 -19.075 46 HE2 HIS 6 HE2 HIS 6 -8.496 20.452 -21.567 47 H HIS 7 H HIS 7 -9.981 27.034 -20.072 48 HA HIS 7 HA HIS 7 -8.701 29.697 -20.375 49 HB2 HIS 7 HB2 HIS 7 -11.095 28.792 -18.733 50 HB3 HIS 7 HB3 HIS 7 -10.495 30.440 -18.855 51 HD2 HIS 7 HD2 HIS 7 -10.717 31.668 -21.321 52 HE1 HIS 7 HE1 HIS 7 -13.821 29.095 -22.724 53 HE2 HIS 7 HE2 HIS 7 -12.620 31.308 -23.114 54 H HIS 8 H HIS 8 -6.663 29.359 -19.534 55 HA HIS 8 HA HIS 8 -4.981 29.000 -18.071 56 HB2 HIS 8 HB2 HIS 8 -6.355 31.043 -17.175 57 HB3 HIS 8 HB3 HIS 8 -6.704 29.996 -15.809 58 HD2 HIS 8 HD2 HIS 8 -3.665 31.449 -17.779 59 HE1 HIS 8 HE1 HIS 8 -2.406 30.986 -13.731 60 HE2 HIS 8 HE2 HIS 8 -1.734 31.844 -16.031 61 H HIS 9 H HIS 9 -6.306 26.739 -18.622 62 HA HIS 9 HA HIS 9 -6.659 24.581 -18.167 63 HB2 HIS 9 HB2 HIS 9 -4.391 24.802 -17.094 64 HB3 HIS 9 HB3 HIS 9 -5.217 24.827 -15.539 65 HD2 HIS 9 HD2 HIS 9 -5.402 22.545 -18.734 66 HE1 HIS 9 HE1 HIS 9 -5.014 20.001 -15.341 67 HE2 HIS 9 HE2 HIS 9 -5.223 20.066 -17.876 68 H HIS 10 H HIS 10 -8.599 23.804 -17.906 69 HA HIS 10 HA HIS 10 -10.518 25.095 -16.186 70 HB2 HIS 10 HB2 HIS 10 -10.661 22.601 -17.931 71 HB3 HIS 10 HB3 HIS 10 -12.043 23.291 -17.102 72 HD2 HIS 10 HD2 HIS 10 -11.580 26.412 -17.806 73 HE1 HIS 10 HE1 HIS 10 -12.343 25.061 -21.777 74 HE2 HIS 10 HE2 HIS 10 -12.325 27.089 -20.249 75 H GLY 11 H GLY 11 -8.552 22.252 -15.586 76 HA2 GLY 11 HA2 GLY 11 -8.507 20.859 -13.683 77 HA3 GLY 11 HA3 GLY 11 -9.845 21.769 -13.002 78 H SER 12 H SER 12 -10.583 19.640 -12.316 79 HA SER 12 HA SER 12 -12.611 18.640 -14.202 80 HB2 SER 12 HB2 SER 12 -12.156 16.301 -13.760 81 HB3 SER 12 HB3 SER 12 -10.734 17.071 -14.478 82 HG SER 12 HG SER 12 -10.194 15.729 -12.682 83 H GLY 58 H GLY 58 -14.280 17.318 -13.127 84 HA2 GLY 58 HA2 GLY 58 -15.199 18.593 -10.668 85 HA3 GLY 58 HA3 GLY 58 -16.048 17.402 -11.641 86 H ALA 59 H ALA 59 -16.707 16.631 -9.511 87 HA ALA 59 HA ALA 59 -14.835 15.331 -7.733 88 HB1 ALA 59 HB1 ALA 59 -17.877 15.314 -7.808 89 HB2 ALA 59 HB2 ALA 59 -16.854 14.789 -6.453 90 HB3 ALA 59 HB3 ALA 59 -16.853 16.490 -6.950 91 H LEU 60 H LEU 60 -14.160 14.165 -10.009 92 HA LEU 60 HA LEU 60 -15.584 11.752 -10.695 93 HB2 LEU 60 HB2 LEU 60 -14.401 13.056 -12.329 94 HB3 LEU 60 HB3 LEU 60 -12.925 13.051 -11.370 95 HG LEU 60 HG LEU 60 -12.662 10.651 -11.739 96 HD11 LEU 60 HD11 LEU 60 -15.014 10.954 -13.672 97 HD12 LEU 60 HD12 LEU 60 -13.969 9.522 -13.543 98 HD13 LEU 60 HD13 LEU 60 -15.014 9.973 -12.192 99 HD21 LEU 60 HD21 LEU 60 -11.547 12.277 -13.202 100 HD22 LEU 60 HD22 LEU 60 -11.978 10.817 -14.105 101 HD23 LEU 60 HD23 LEU 60 -12.957 12.291 -14.285 102 H ALA 61 H ALA 61 -12.956 12.502 -8.427 103 HA ALA 61 HA ALA 61 -12.050 9.766 -8.087 104 HB1 ALA 61 HB1 ALA 61 -11.724 12.228 -6.318 105 HB2 ALA 61 HB2 ALA 61 -10.875 10.684 -6.128 106 HB3 ALA 61 HB3 ALA 61 -10.587 11.670 -7.567 107 H ALA 62 H ALA 62 -12.620 8.239 -6.614 108 HA ALA 62 HA ALA 62 -14.906 8.807 -4.838 109 HB1 ALA 62 HB1 ALA 62 -13.875 6.131 -5.869 110 HB2 ALA 62 HB2 ALA 62 -15.349 6.381 -4.920 111 HB3 ALA 62 HB3 ALA 62 -15.235 7.044 -6.562 112 H LEU 63 H LEU 63 -15.129 7.921 -2.787 113 HA LEU 63 HA LEU 63 -12.577 7.523 -1.292 114 HB2 LEU 63 HB2 LEU 63 -15.042 9.084 -0.420 115 HB3 LEU 63 HB3 LEU 63 -13.614 8.789 0.565 116 HG LEU 63 HG LEU 63 -13.684 10.472 -1.979 117 HD11 LEU 63 HD11 LEU 63 -13.405 11.265 0.952 118 HD12 LEU 63 HD12 LEU 63 -13.361 12.360 -0.447 119 HD13 LEU 63 HD13 LEU 63 -14.854 11.497 -0.054 120 HD21 LEU 63 HD21 LEU 63 -11.471 9.486 -1.700 121 HD22 LEU 63 HD22 LEU 63 -11.413 11.193 -1.226 122 HD23 LEU 63 HD23 LEU 63 -11.449 9.931 0.019 123 H HIS 64 H HIS 64 -12.617 6.166 0.478 124 HA HIS 64 HA HIS 64 -14.714 4.143 0.777 125 HB2 HIS 64 HB2 HIS 64 -12.345 4.991 2.456 126 HB3 HIS 64 HB3 HIS 64 -13.422 3.679 2.925 127 HD2 HIS 64 HD2 HIS 64 -10.310 4.331 0.974 128 HE1 HIS 64 HE1 HIS 64 -11.556 0.425 -0.185 129 HE2 HIS 64 HE2 HIS 64 -9.628 2.080 -0.221 130 H ALA 65 H ALA 65 -16.550 4.282 1.995 131 HA ALA 65 HA ALA 65 -17.129 6.827 3.357 132 HB1 ALA 65 HB1 ALA 65 -18.891 4.436 2.692 133 HB2 ALA 65 HB2 ALA 65 -19.440 6.029 3.257 134 HB3 ALA 65 HB3 ALA 65 -18.657 5.878 1.674 135 H GLU 66 H GLU 66 -16.199 3.644 4.383 136 HA GLU 66 HA GLU 66 -16.717 4.273 7.221 137 HB2 GLU 66 HB2 GLU 66 -17.980 2.248 7.630 138 HB3 GLU 66 HB3 GLU 66 -18.817 3.270 6.468 139 HG2 GLU 66 HG2 GLU 66 -17.981 1.839 4.609 140 HG3 GLU 66 HG3 GLU 66 -17.150 0.813 5.781 141 H GLY 67 H GLY 67 -15.869 2.538 8.696 142 HA2 GLY 67 HA2 GLY 67 -14.264 1.023 9.402 143 HA3 GLY 67 HA3 GLY 67 -13.925 0.644 7.718 144 HA PRO 68 HA PRO 68 -10.268 2.654 9.909 145 HB2 PRO 68 HB2 PRO 68 -8.357 1.191 8.428 146 HB3 PRO 68 HB3 PRO 68 -9.017 0.758 10.040 147 HG2 PRO 68 HG2 PRO 68 -9.870 -0.205 7.304 148 HG3 PRO 68 HG3 PRO 68 -9.670 -1.159 8.810 149 HD2 PRO 68 HD2 PRO 68 -12.101 -0.401 7.985 150 HD3 PRO 68 HD3 PRO 68 -11.688 -0.290 9.723 151 H LEU 69 H LEU 69 -10.897 2.174 6.482 152 HA LEU 69 HA LEU 69 -8.971 4.269 5.657 153 HB2 LEU 69 HB2 LEU 69 -10.681 2.306 4.112 154 HB3 LEU 69 HB3 LEU 69 -9.512 3.419 3.387 155 HG LEU 69 HG LEU 69 -8.846 1.120 5.279 156 HD11 LEU 69 HD11 LEU 69 -8.444 1.482 2.295 157 HD12 LEU 69 HD12 LEU 69 -7.795 0.136 3.262 158 HD13 LEU 69 HD13 LEU 69 -9.547 0.346 3.087 159 HD21 LEU 69 HD21 LEU 69 -7.217 2.900 5.597 160 HD22 LEU 69 HD22 LEU 69 -6.489 1.598 4.661 161 HD23 LEU 69 HD23 LEU 69 -7.026 3.085 3.840 162 H ALA 70 H ALA 70 -12.044 4.479 6.812 163 HA ALA 70 HA ALA 70 -13.576 5.850 4.964 164 HB1 ALA 70 HB1 ALA 70 -13.312 6.446 7.938 165 HB2 ALA 70 HB2 ALA 70 -14.665 6.934 6.894 166 HB3 ALA 70 HB3 ALA 70 -14.359 5.217 7.200 167 H GLY 71 H GLY 71 -13.540 7.737 3.923 168 HA2 GLY 71 HA2 GLY 71 -13.113 10.037 3.563 169 HA3 GLY 71 HA3 GLY 71 -11.905 10.030 4.861 170 H LEU 72 H LEU 72 -10.985 7.393 3.147 171 HA LEU 72 HA LEU 72 -8.962 9.012 1.681 172 HB2 LEU 72 HB2 LEU 72 -8.888 6.132 2.597 173 HB3 LEU 72 HB3 LEU 72 -7.539 7.094 2.018 174 HG LEU 72 HG LEU 72 -8.981 7.451 4.664 175 HD11 LEU 72 HD11 LEU 72 -6.119 6.665 3.974 176 HD12 LEU 72 HD12 LEU 72 -6.840 6.768 5.598 177 HD13 LEU 72 HD13 LEU 72 -7.405 5.541 4.450 178 HD21 LEU 72 HD21 LEU 72 -8.353 9.671 3.888 179 HD22 LEU 72 HD22 LEU 72 -7.247 9.153 5.158 180 HD23 LEU 72 HD23 LEU 72 -6.719 9.100 3.462 181 HA PRO 73 HA PRO 73 -10.144 7.662 -2.420 182 HB2 PRO 73 HB2 PRO 73 -7.751 6.930 -3.575 183 HB3 PRO 73 HB3 PRO 73 -8.293 8.616 -3.362 184 HG2 PRO 73 HG2 PRO 73 -6.453 6.979 -1.591 185 HG3 PRO 73 HG3 PRO 73 -6.212 8.647 -2.175 186 HD2 PRO 73 HD2 PRO 73 -7.127 8.175 0.294 187 HD3 PRO 73 HD3 PRO 73 -7.854 9.483 -0.654 188 H VAL 74 H VAL 74 -10.887 5.897 -3.440 189 HA VAL 74 HA VAL 74 -10.371 3.287 -2.197 190 HB VAL 74 HB VAL 74 -12.099 3.927 -4.609 191 HG11 VAL 74 HG11 VAL 74 -11.973 1.492 -2.787 192 HG12 VAL 74 HG12 VAL 74 -13.199 1.789 -4.046 193 HG13 VAL 74 HG13 VAL 74 -11.516 1.543 -4.509 194 HG21 VAL 74 HG21 VAL 74 -12.916 5.095 -2.596 195 HG22 VAL 74 HG22 VAL 74 -13.978 3.748 -2.995 196 HG23 VAL 74 HG23 VAL 74 -12.813 3.581 -1.663 197 H THR 75 H THR 75 -9.415 4.960 -5.179 198 HA THR 75 HA THR 75 -7.495 2.738 -5.767 199 HB THR 75 HB THR 75 -8.023 2.798 -8.037 200 HG1 THR 75 HG1 THR 75 -9.459 4.491 -8.854 201 HG21 THR 75 HG21 THR 75 -10.724 3.409 -6.768 202 HG22 THR 75 HG22 THR 75 -10.424 2.524 -8.277 203 HG23 THR 75 HG23 THR 75 -9.920 1.829 -6.724 204 H ARG 76 H ARG 76 -5.747 3.311 -7.318 205 HA ARG 76 HA ARG 76 -4.226 5.625 -6.435 206 HB2 ARG 76 HB2 ARG 76 -3.901 3.794 -8.869 207 HB3 ARG 76 HB3 ARG 76 -2.718 5.005 -8.354 208 HG2 ARG 76 HG2 ARG 76 -2.409 3.866 -6.204 209 HG3 ARG 76 HG3 ARG 76 -3.632 2.657 -6.634 210 HD2 ARG 76 HD2 ARG 76 -2.237 1.963 -8.578 211 HD3 ARG 76 HD3 ARG 76 -0.979 3.100 -8.044 212 HE ARG 76 HE ARG 76 -1.660 1.381 -5.846 213 HH11 ARG 76 HH11 ARG 76 -0.057 1.021 -8.951 214 HH12 ARG 76 HH12 ARG 76 0.912 -0.307 -8.374 215 HH21 ARG 76 HH21 ARG 76 -0.375 -0.174 -5.167 216 HH22 ARG 76 HH22 ARG 76 0.724 -0.991 -6.243 217 H SER 77 H SER 77 -6.342 5.065 -9.241 218 HA SER 77 HA SER 77 -5.925 7.602 -10.508 219 HB2 SER 77 HB2 SER 77 -8.416 5.854 -10.529 220 HB3 SER 77 HB3 SER 77 -8.017 7.148 -11.676 221 HG SER 77 HG SER 77 -7.435 5.056 -12.482 222 H ASP 78 H ASP 78 -8.330 6.577 -7.980 223 HA ASP 78 HA ASP 78 -9.580 9.144 -7.756 224 HB2 ASP 78 HB2 ASP 78 -9.106 7.160 -5.501 225 HB3 ASP 78 HB3 ASP 78 -10.262 8.494 -5.504 226 H ALA 79 H ALA 79 -6.711 7.796 -6.029 227 HA ALA 79 HA ALA 79 -6.201 10.075 -4.427 228 HB1 ALA 79 HB1 ALA 79 -4.207 8.066 -5.574 229 HB2 ALA 79 HB2 ALA 79 -4.011 9.066 -4.117 230 HB3 ALA 79 HB3 ALA 79 -5.228 7.776 -4.158 231 H ARG 80 H ARG 80 -4.859 9.321 -7.679 232 HA ARG 80 HA ARG 80 -3.294 11.705 -8.073 233 HB2 ARG 80 HB2 ARG 80 -4.829 9.943 -10.044 234 HB3 ARG 80 HB3 ARG 80 -3.687 11.187 -10.532 235 HG2 ARG 80 HG2 ARG 80 -2.656 9.137 -8.589 236 HG3 ARG 80 HG3 ARG 80 -3.051 8.546 -10.192 237 HD2 ARG 80 HD2 ARG 80 -1.228 10.924 -9.709 238 HD3 ARG 80 HD3 ARG 80 -0.654 9.254 -9.830 239 HE ARG 80 HE ARG 80 -2.270 9.771 -12.110 240 HH11 ARG 80 HH11 ARG 80 0.833 10.867 -10.908 241 HH12 ARG 80 HH12 ARG 80 1.522 10.948 -12.514 242 HH21 ARG 80 HH21 ARG 80 -1.363 9.989 -14.123 243 HH22 ARG 80 HH22 ARG 80 0.288 10.503 -14.283 244 H VAL 81 H VAL 81 -6.735 11.080 -8.870 245 HA VAL 81 HA VAL 81 -7.164 13.772 -9.857 246 HB VAL 81 HB VAL 81 -9.063 11.517 -9.167 247 HG11 VAL 81 HG11 VAL 81 -9.705 14.185 -10.515 248 HG12 VAL 81 HG12 VAL 81 -10.787 12.777 -10.436 249 HG13 VAL 81 HG13 VAL 81 -10.346 13.631 -8.956 250 HG21 VAL 81 HG21 VAL 81 -7.579 11.180 -11.148 251 HG22 VAL 81 HG22 VAL 81 -9.276 11.341 -11.609 252 HG23 VAL 81 HG23 VAL 81 -8.162 12.709 -11.831 253 H LEU 82 H LEU 82 -7.660 12.327 -6.586 254 HA LEU 82 HA LEU 82 -8.900 14.653 -5.442 255 HB2 LEU 82 HB2 LEU 82 -7.087 12.511 -4.268 256 HB3 LEU 82 HB3 LEU 82 -7.787 13.790 -3.293 257 HG LEU 82 HG LEU 82 -9.445 11.778 -4.840 258 HD11 LEU 82 HD11 LEU 82 -8.897 11.877 -1.857 259 HD12 LEU 82 HD12 LEU 82 -9.735 10.609 -2.789 260 HD13 LEU 82 HD13 LEU 82 -7.995 10.844 -2.977 261 HD21 LEU 82 HD21 LEU 82 -10.703 13.840 -4.407 262 HD22 LEU 82 HD22 LEU 82 -11.286 12.524 -3.385 263 HD23 LEU 82 HD23 LEU 82 -10.231 13.777 -2.694 264 H ILE 83 H ILE 83 -5.382 13.790 -5.738 265 HA ILE 83 HA ILE 83 -4.487 16.268 -4.567 266 HB ILE 83 HB ILE 83 -3.054 14.469 -6.561 267 HG12 ILE 83 HG12 ILE 83 -2.630 14.655 -3.545 268 HG13 ILE 83 HG13 ILE 83 -3.741 13.495 -4.254 269 HG21 ILE 83 HG21 ILE 83 -2.103 16.827 -4.857 270 HG22 ILE 83 HG22 ILE 83 -0.982 15.674 -5.570 271 HG23 ILE 83 HG23 ILE 83 -1.992 16.665 -6.623 272 HD11 ILE 83 HD11 ILE 83 -0.742 13.584 -4.715 273 HD12 ILE 83 HD12 ILE 83 -1.684 12.347 -3.875 274 HD13 ILE 83 HD13 ILE 83 -1.877 12.547 -5.621 275 H PHE 84 H PHE 84 -5.176 15.408 -7.992 276 HA PHE 84 HA PHE 84 -4.454 17.893 -9.137 277 HB2 PHE 84 HB2 PHE 84 -4.949 15.846 -10.424 278 HB3 PHE 84 HB3 PHE 84 -6.617 15.905 -9.894 279 HD1 PHE 84 HD1 PHE 84 -5.029 19.104 -10.900 280 HD2 PHE 84 HD2 PHE 84 -7.391 15.730 -12.185 281 HE1 PHE 84 HE1 PHE 84 -5.643 20.325 -12.915 282 HE2 PHE 84 HE2 PHE 84 -8.032 16.978 -14.228 283 HZ PHE 84 HZ PHE 84 -7.156 19.264 -14.622 284 H ASN 85 H ASN 85 -7.737 16.876 -7.963 285 HA ASN 85 HA ASN 85 -8.923 19.389 -8.571 286 HB2 ASN 85 HB2 ASN 85 -10.124 17.203 -8.260 287 HB3 ASN 85 HB3 ASN 85 -9.766 17.274 -6.532 288 HD21 ASN 85 HD22 ASN 85 -12.092 17.183 -6.137 289 HD22 ASN 85 HD21 ASN 85 -13.055 18.631 -6.372 290 H GLU 86 H GLU 86 -7.456 18.151 -5.522 291 HA GLU 86 HA GLU 86 -7.941 20.393 -3.840 292 HB2 GLU 86 HB2 GLU 86 -7.029 18.204 -3.089 293 HB3 GLU 86 HB3 GLU 86 -5.524 18.540 -3.951 294 HG2 GLU 86 HG2 GLU 86 -5.288 20.626 -2.480 295 HG3 GLU 86 HG3 GLU 86 -6.647 20.009 -1.539 296 H TRP 87 H TRP 87 -5.022 19.751 -5.954 297 HA TRP 87 HA TRP 87 -3.782 22.242 -5.630 298 HB2 TRP 87 HB2 TRP 87 -2.647 20.488 -6.807 299 HB3 TRP 87 HB3 TRP 87 -3.941 20.347 -7.996 300 HD1 TRP 87 HD1 TRP 87 -1.142 22.717 -6.960 301 HE1 TRP 87 HE1 TRP 87 -0.604 24.365 -8.859 302 HE3 TRP 87 HE3 TRP 87 -4.845 21.395 -10.228 303 HZ2 TRP 87 HZ2 TRP 87 -1.655 25.020 -11.458 304 HZ3 TRP 87 HZ3 TRP 87 -5.099 22.602 -12.389 305 HH2 TRP 87 HH2 TRP 87 -3.518 24.403 -13.012 306 H GLU 88 H GLU 88 -6.412 21.401 -8.001 307 HA GLU 88 HA GLU 88 -6.248 23.936 -9.250 308 HB2 GLU 88 HB2 GLU 88 -7.250 21.730 -10.092 309 HB3 GLU 88 HB3 GLU 88 -8.736 22.208 -9.280 310 HG2 GLU 88 HG2 GLU 88 -7.213 23.954 -11.274 311 HG3 GLU 88 HG3 GLU 88 -8.409 22.780 -11.774 312 H GLU 89 H GLU 89 -8.451 22.862 -6.596 313 HA GLU 89 HA GLU 89 -9.864 25.369 -6.379 314 HB2 GLU 89 HB2 GLU 89 -9.282 23.192 -4.325 315 HB3 GLU 89 HB3 GLU 89 -10.313 24.596 -4.023 316 HG2 GLU 89 HG2 GLU 89 -11.775 23.937 -5.924 317 HG3 GLU 89 HG3 GLU 89 -10.817 22.476 -6.152 318 H ARG 90 H ARG 90 -6.901 24.165 -4.732 319 HA ARG 90 HA ARG 90 -6.361 26.518 -3.158 320 HB2 ARG 90 HB2 ARG 90 -4.509 24.486 -4.462 321 HB3 ARG 90 HB3 ARG 90 -3.957 25.717 -3.322 322 HG2 ARG 90 HG2 ARG 90 -6.132 23.740 -2.574 323 HG3 ARG 90 HG3 ARG 90 -4.417 23.317 -2.544 324 HD2 ARG 90 HD2 ARG 90 -3.980 25.160 -0.949 325 HD3 ARG 90 HD3 ARG 90 -5.687 25.654 -1.039 326 HE ARG 90 HE ARG 90 -5.578 22.915 -0.265 327 HH11 ARG 90 HH11 ARG 90 -4.821 26.035 1.146 328 HH12 ARG 90 HH12 ARG 90 -5.110 25.474 2.768 329 HH21 ARG 90 HH21 ARG 90 -5.936 22.265 1.839 330 HH22 ARG 90 HH22 ARG 90 -5.723 23.394 3.142 331 H LYS 91 H LYS 91 -5.074 25.579 -6.311 332 HA LYS 91 HA LYS 91 -3.772 27.944 -7.118 333 HB2 LYS 91 HB2 LYS 91 -3.524 25.971 -8.402 334 HB3 LYS 91 HB3 LYS 91 -5.239 25.842 -8.742 335 HG2 LYS 91 HG2 LYS 91 -3.815 28.300 -9.733 336 HG3 LYS 91 HG3 LYS 91 -3.473 26.768 -10.524 337 HD2 LYS 91 HD2 LYS 91 -5.757 26.422 -11.180 338 HD3 LYS 91 HD3 LYS 91 -6.338 27.693 -10.119 339 HE2 LYS 91 HE2 LYS 91 -6.443 28.667 -12.231 340 HE3 LYS 91 HE3 LYS 91 -5.017 29.374 -11.477 341 HZ1 LYS 91 HZ1 LYS 91 -5.071 27.243 -13.561 342 HZ2 LYS 91 HZ2 LYS 91 -4.512 28.748 -13.723 343 HZ3 LYS 91 HZ3 LYS 91 -3.677 27.695 -12.782 344 H LYS 92 H LYS 92 -7.320 27.324 -7.387 345 HA LYS 92 HA LYS 92 -7.879 29.851 -8.666 346 HB2 LYS 92 HB2 LYS 92 -9.318 28.043 -9.011 347 HB3 LYS 92 HB3 LYS 92 -9.486 27.667 -7.311 348 HG2 LYS 92 HG2 LYS 92 -10.516 30.327 -8.327 349 HG3 LYS 92 HG3 LYS 92 -11.412 28.843 -8.670 350 HD2 LYS 92 HD2 LYS 92 -11.517 28.276 -6.284 351 HD3 LYS 92 HD3 LYS 92 -10.619 29.740 -5.865 352 HE2 LYS 92 HE2 LYS 92 -12.408 31.140 -6.897 353 HE3 LYS 92 HE3 LYS 92 -13.305 29.681 -7.329 354 HZ1 LYS 92 HZ1 LYS 92 -12.694 30.540 -4.538 355 HZ2 LYS 92 HZ2 LYS 92 -14.149 30.651 -5.267 356 HZ3 LYS 92 HZ3 LYS 92 -13.521 29.184 -4.940 357 H SER 93 H SER 93 -7.702 28.874 -5.238 358 HA SER 93 HA SER 93 -8.512 31.514 -4.271 359 HB2 SER 93 HB2 SER 93 -8.736 29.275 -3.074 360 HB3 SER 93 HB3 SER 93 -7.000 29.395 -2.724 361 HG SER 93 HG SER 93 -8.326 30.290 -1.039 362 H ASP 94 H ASP 94 -5.381 29.963 -4.863 363 HA ASP 94 HA ASP 94 -3.812 32.429 -4.532 364 HB2 ASP 94 HB2 ASP 94 -3.537 29.919 -2.836 365 HB3 ASP 94 HB3 ASP 94 -2.214 31.046 -3.090 366 HA PRO 95 HA PRO 95 -2.822 30.058 -8.184 367 HB2 PRO 95 HB2 PRO 95 -1.400 31.899 -9.639 368 HB3 PRO 95 HB3 PRO 95 -3.149 32.054 -9.287 369 HG2 PRO 95 HG2 PRO 95 -0.838 33.238 -7.684 370 HG3 PRO 95 HG3 PRO 95 -2.238 34.122 -8.405 371 HD2 PRO 95 HD2 PRO 95 -2.298 33.351 -5.842 372 HD3 PRO 95 HD3 PRO 95 -3.756 33.056 -6.849 373 H TRP 96 H TRP 96 -0.211 30.967 -6.105 374 HA TRP 96 HA TRP 96 2.038 30.309 -7.663 375 HB2 TRP 96 HB2 TRP 96 3.254 30.365 -5.622 376 HB3 TRP 96 HB3 TRP 96 1.975 31.553 -5.456 377 HD1 TRP 96 HD1 TRP 96 -0.253 30.586 -4.044 378 HE1 TRP 96 HE1 TRP 96 -0.367 29.070 -1.965 379 HE3 TRP 96 HE3 TRP 96 4.386 28.482 -4.359 380 HZ2 TRP 96 HZ2 TRP 96 1.318 27.112 -0.675 381 HZ3 TRP 96 HZ3 TRP 96 5.094 26.742 -2.724 382 HH2 TRP 96 HH2 TRP 96 3.571 26.052 -0.885 383 H LEU 97 H LEU 97 -0.134 28.053 -6.041 384 HA LEU 97 HA LEU 97 1.740 26.226 -5.178 385 HB2 LEU 97 HB2 LEU 97 -0.620 26.468 -4.411 386 HB3 LEU 97 HB3 LEU 97 -1.167 25.728 -5.916 387 HG LEU 97 HG LEU 97 0.054 23.619 -5.274 388 HD11 LEU 97 HD11 LEU 97 0.434 25.051 -2.610 389 HD12 LEU 97 HD12 LEU 97 0.728 23.325 -2.911 390 HD13 LEU 97 HD13 LEU 97 1.737 24.539 -3.700 391 HD21 LEU 97 HD21 LEU 97 -2.336 23.963 -4.838 392 HD22 LEU 97 HD22 LEU 97 -1.581 22.924 -3.611 393 HD23 LEU 97 HD23 LEU 97 -1.935 24.628 -3.230 394 H ARG 98 H ARG 98 2.609 24.258 -5.928 395 HA ARG 98 HA ARG 98 2.456 23.634 -8.826 396 HB2 ARG 98 HB2 ARG 98 4.101 22.488 -6.532 397 HB3 ARG 98 HB3 ARG 98 4.076 21.822 -8.163 398 HG2 ARG 98 HG2 ARG 98 4.922 23.966 -9.083 399 HG3 ARG 98 HG3 ARG 98 4.989 24.637 -7.440 400 HD2 ARG 98 HD2 ARG 98 7.213 23.814 -8.133 401 HD3 ARG 98 HD3 ARG 98 6.595 22.898 -6.765 402 HE ARG 98 HE ARG 98 6.146 21.004 -8.149 403 HH11 ARG 98 HH11 ARG 98 7.804 23.470 -10.032 404 HH12 ARG 98 HH12 ARG 98 8.162 22.351 -11.317 405 HH21 ARG 98 HH21 ARG 98 6.579 19.673 -9.776 406 HH22 ARG 98 HH22 ARG 98 7.508 20.219 -11.156 407 H LEU 99 H LEU 99 1.758 21.730 -9.712 408 HA LEU 99 HA LEU 99 0.189 19.831 -8.016 409 HB2 LEU 99 HB2 LEU 99 -0.816 21.034 -10.097 410 HB3 LEU 99 HB3 LEU 99 0.201 19.983 -11.040 411 HG LEU 99 HG LEU 99 -2.193 19.225 -9.289 412 HD11 LEU 99 HD11 LEU 99 -1.433 18.715 -12.196 413 HD12 LEU 99 HD12 LEU 99 -2.928 18.191 -11.408 414 HD13 LEU 99 HD13 LEU 99 -2.601 19.923 -11.621 415 HD21 LEU 99 HD21 LEU 99 -0.556 17.556 -8.731 416 HD22 LEU 99 HD22 LEU 99 -1.820 16.918 -9.766 417 HD23 LEU 99 HD23 LEU 99 -0.216 17.284 -10.468 418 H ASP 100 H ASP 100 1.608 18.310 -7.252 419 HA ASP 100 HA ASP 100 3.221 16.754 -9.231 420 HB2 ASP 100 HB2 ASP 100 4.129 17.595 -6.450 421 HB3 ASP 100 HB3 ASP 100 4.926 16.393 -7.456 422 H MET 101 H MET 101 2.561 14.672 -9.251 423 HA MET 101 HA MET 101 1.732 13.293 -6.807 424 HB2 MET 101 HB2 MET 101 -0.541 12.656 -7.851 425 HB3 MET 101 HB3 MET 101 -0.315 14.169 -7.029 426 HG2 MET 101 HG2 MET 101 -1.642 14.727 -8.783 427 HG3 MET 101 HG3 MET 101 -0.057 15.287 -9.273 428 HE1 MET 101 HE1 MET 101 -1.640 15.608 -11.599 429 HE2 MET 101 HE2 MET 101 -2.341 14.203 -12.433 430 HE3 MET 101 HE3 MET 101 -2.951 14.681 -10.832 431 H SER 102 H SER 102 3.813 12.425 -7.672 432 HA SER 102 HA SER 102 3.702 10.278 -9.626 433 HB2 SER 102 HB2 SER 102 5.822 9.607 -8.590 434 HB3 SER 102 HB3 SER 102 5.802 11.355 -8.877 435 HG SER 102 HG SER 102 6.533 11.013 -6.782 436 H ASP 103 H ASP 103 3.845 7.945 -9.034 437 HA ASP 103 HA ASP 103 1.828 6.976 -7.316 438 HB2 ASP 103 HB2 ASP 103 4.426 5.652 -8.193 439 HB3 ASP 103 HB3 ASP 103 3.075 4.814 -7.439 440 H LYS 104 H LYS 104 5.236 7.697 -6.557 441 HA LYS 104 HA LYS 104 5.210 6.779 -3.820 442 HB2 LYS 104 HB2 LYS 104 6.908 8.901 -5.212 443 HB3 LYS 104 HB3 LYS 104 7.176 8.314 -3.565 444 HG2 LYS 104 HG2 LYS 104 7.471 6.003 -4.423 445 HG3 LYS 104 HG3 LYS 104 7.257 6.594 -6.081 446 HD2 LYS 104 HD2 LYS 104 9.260 8.048 -5.830 447 HD3 LYS 104 HD3 LYS 104 9.427 7.529 -4.152 448 HE2 LYS 104 HE2 LYS 104 11.030 6.296 -5.385 449 HE3 LYS 104 HE3 LYS 104 9.758 5.167 -4.925 450 HZ1 LYS 104 HZ1 LYS 104 10.026 6.435 -7.616 451 HZ2 LYS 104 HZ2 LYS 104 10.447 4.904 -7.260 452 HZ3 LYS 104 HZ3 LYS 104 8.878 5.337 -7.209 453 H ALA 105 H ALA 105 4.317 9.989 -5.231 454 HA ALA 105 HA ALA 105 3.741 11.242 -2.709 455 HB1 ALA 105 HB1 ALA 105 2.495 11.762 -5.413 456 HB2 ALA 105 HB2 ALA 105 2.524 12.860 -4.024 457 HB3 ALA 105 HB3 ALA 105 4.037 12.449 -4.855 458 H ILE 106 H ILE 106 1.750 9.230 -4.869 459 HA ILE 106 HA ILE 106 -0.640 9.480 -3.261 460 HB ILE 106 HB ILE 106 0.223 7.580 -5.456 461 HG12 ILE 106 HG12 ILE 106 -1.912 8.522 -6.463 462 HG13 ILE 106 HG13 ILE 106 -2.027 9.611 -5.078 463 HG21 ILE 106 HG21 ILE 106 -2.313 7.257 -3.788 464 HG22 ILE 106 HG22 ILE 106 -2.028 6.504 -5.377 465 HG23 ILE 106 HG23 ILE 106 -1.014 6.068 -4.015 466 HD11 ILE 106 HD11 ILE 106 0.233 9.490 -7.087 467 HD12 ILE 106 HD12 ILE 106 -1.061 10.701 -7.034 468 HD13 ILE 106 HD13 ILE 106 0.150 10.647 -5.729 469 H PHE 107 H PHE 107 1.883 6.919 -3.291 470 HA PHE 107 HA PHE 107 0.612 5.508 -1.137 471 HB2 PHE 107 HB2 PHE 107 3.571 5.371 -1.705 472 HB3 PHE 107 HB3 PHE 107 2.522 4.163 -0.934 473 HD1 PHE 107 HD1 PHE 107 0.183 4.292 -2.900 474 HD2 PHE 107 HD2 PHE 107 4.448 3.985 -3.464 475 HE1 PHE 107 HE1 PHE 107 -0.189 3.256 -5.079 476 HE2 PHE 107 HE2 PHE 107 4.067 2.863 -5.644 477 HZ PHE 107 HZ PHE 107 1.752 2.510 -6.479 478 H ARG 108 H ARG 108 2.989 8.180 -1.039 479 HA ARG 108 HA ARG 108 3.444 8.092 1.813 480 HB2 ARG 108 HB2 ARG 108 3.840 10.197 -0.344 481 HB3 ARG 108 HB3 ARG 108 4.175 10.520 1.351 482 HG2 ARG 108 HG2 ARG 108 5.824 8.728 1.475 483 HG3 ARG 108 HG3 ARG 108 5.421 8.179 -0.148 484 HD2 ARG 108 HD2 ARG 108 7.466 9.417 -0.277 485 HD3 ARG 108 HD3 ARG 108 6.193 10.363 -1.071 486 HE ARG 108 HE ARG 108 6.458 11.110 1.711 487 HH11 ARG 108 HH11 ARG 108 8.167 11.567 -1.318 488 HH12 ARG 108 HH12 ARG 108 8.872 13.072 -0.797 489 HH21 ARG 108 HH21 ARG 108 7.379 13.042 2.306 490 HH22 ARG 108 HH22 ARG 108 8.439 13.876 1.209 491 H ARG 109 H ARG 109 0.999 9.889 -0.140 492 HA ARG 109 HA ARG 109 -0.250 11.050 2.265 493 HB2 ARG 109 HB2 ARG 109 -1.181 10.676 -0.610 494 HB3 ARG 109 HB3 ARG 109 -2.239 11.276 0.670 495 HG2 ARG 109 HG2 ARG 109 -0.561 13.122 1.116 496 HG3 ARG 109 HG3 ARG 109 0.285 12.618 -0.368 497 HD2 ARG 109 HD2 ARG 109 -1.801 12.954 -1.661 498 HD3 ARG 109 HD3 ARG 109 -2.670 13.348 -0.170 499 HE ARG 109 HE ARG 109 -0.346 15.037 -0.957 500 HH11 ARG 109 HH11 ARG 109 -3.842 14.867 -0.512 501 HH12 ARG 109 HH12 ARG 109 -4.028 16.591 -0.751 502 HH21 ARG 109 HH21 ARG 109 -0.724 17.249 -1.233 503 HH22 ARG 109 HH22 ARG 109 -2.381 17.835 -1.196 504 H TYR 110 H TYR 110 -0.859 8.180 0.302 505 HA TYR 110 HA TYR 110 -3.019 7.272 2.151 506 HB2 TYR 110 HB2 TYR 110 -2.933 7.007 -0.858 507 HB3 TYR 110 HB3 TYR 110 -4.284 6.705 0.216 508 HD1 TYR 110 HD2 TYR 110 -4.980 8.904 1.697 509 HD2 TYR 110 HD1 TYR 110 -2.930 8.937 -2.089 510 HE1 TYR 110 HE2 TYR 110 -5.864 11.193 1.232 511 HE2 TYR 110 HE1 TYR 110 -3.839 11.207 -2.574 512 HH TYR 110 HH TYR 110 -5.204 12.922 -1.843 513 HA PRO 111 HA PRO 111 0.398 4.211 1.851 514 HB2 PRO 111 HB2 PRO 111 0.203 3.038 4.329 515 HB3 PRO 111 HB3 PRO 111 0.958 4.632 4.031 516 HG2 PRO 111 HG2 PRO 111 -1.889 4.064 4.925 517 HG3 PRO 111 HG3 PRO 111 -0.708 5.201 5.655 518 HD2 PRO 111 HD2 PRO 111 -2.580 6.071 3.919 519 HD3 PRO 111 HD3 PRO 111 -0.912 6.718 3.838 520 H HIS 112 H HIS 112 -2.987 3.531 2.235 521 HA HIS 112 HA HIS 112 -2.780 0.636 2.060 522 HB2 HIS 112 HB2 HIS 112 -5.156 0.674 1.986 523 HB3 HIS 112 HB3 HIS 112 -4.566 1.750 3.243 524 HD2 HIS 112 HD2 HIS 112 -6.921 1.636 0.404 525 HE1 HIS 112 HE1 HIS 112 -6.277 5.798 0.952 526 HE2 HIS 112 HE2 HIS 112 -7.755 4.084 -0.148 527 H LEU 113 H LEU 113 -2.341 3.053 -0.349 528 HA LEU 113 HA LEU 113 -3.478 1.407 -2.516 529 HB2 LEU 113 HB2 LEU 113 -2.155 4.141 -2.460 530 HB3 LEU 113 HB3 LEU 113 -2.463 3.299 -3.961 531 HG LEU 113 HG LEU 113 -4.203 4.911 -3.625 532 HD11 LEU 113 HD11 LEU 113 -5.428 2.192 -2.990 533 HD12 LEU 113 HD12 LEU 113 -6.220 3.588 -3.705 534 HD13 LEU 113 HD13 LEU 113 -4.948 2.728 -4.619 535 HD21 LEU 113 HD21 LEU 113 -4.016 4.992 -1.155 536 HD22 LEU 113 HD22 LEU 113 -5.691 4.916 -1.764 537 HD23 LEU 113 HD23 LEU 113 -4.915 3.477 -1.083 538 H ARG 114 H ARG 114 -0.244 1.744 -1.143 539 HA ARG 114 HA ARG 114 1.182 0.795 -3.447 540 HB2 ARG 114 HB2 ARG 114 2.168 1.959 -1.444 541 HB3 ARG 114 HB3 ARG 114 1.970 0.460 -0.533 542 HG2 ARG 114 HG2 ARG 114 3.450 -0.718 -2.147 543 HG3 ARG 114 HG3 ARG 114 3.538 0.739 -3.144 544 HD2 ARG 114 HD2 ARG 114 5.562 0.585 -1.891 545 HD3 ARG 114 HD3 ARG 114 4.624 1.946 -1.252 546 HE ARG 114 HE ARG 114 3.998 -0.376 0.275 547 HH11 ARG 114 HH11 ARG 114 6.778 1.706 -0.195 548 HH12 ARG 114 HH12 ARG 114 7.424 1.351 1.384 549 HH21 ARG 114 HH21 ARG 114 4.872 -0.777 2.274 550 HH22 ARG 114 HH22 ARG 114 6.368 -0.022 2.741 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -2.215 53.373 -10.249 2 H2 MET 1 H2 MET 1 -1.829 51.897 -9.663 3 H3 MET 1 H3 MET 1 -1.390 53.238 -8.838 4 HA MET 1 HA MET 1 -3.282 52.182 -7.754 5 HB2 MET 1 HB2 MET 1 -3.937 54.869 -9.069 6 HB3 MET 1 HB3 MET 1 -4.924 54.109 -7.830 7 HG2 MET 1 HG2 MET 1 -3.645 55.700 -6.716 8 HG3 MET 1 HG3 MET 1 -2.975 54.139 -6.266 9 HE1 MET 1 HE1 MET 1 -0.907 55.423 -5.191 10 HE2 MET 1 HE2 MET 1 0.079 56.615 -6.066 11 HE3 MET 1 HE3 MET 1 -1.619 56.977 -5.685 12 H ARG 2 H ARG 2 -5.545 51.593 -7.819 13 HA ARG 2 HA ARG 2 -7.266 50.351 -8.672 14 HB2 ARG 2 HB2 ARG 2 -7.262 52.612 -10.708 15 HB3 ARG 2 HB3 ARG 2 -8.605 51.505 -10.391 16 HG2 ARG 2 HG2 ARG 2 -8.703 52.282 -8.032 17 HG3 ARG 2 HG3 ARG 2 -7.406 53.449 -8.371 18 HD2 ARG 2 HD2 ARG 2 -8.815 54.519 -10.099 19 HD3 ARG 2 HD3 ARG 2 -10.116 53.359 -9.754 20 HE ARG 2 HE ARG 2 -9.388 54.617 -7.310 21 HH11 ARG 2 HH11 ARG 2 -10.977 55.535 -10.298 22 HH12 ARG 2 HH12 ARG 2 -11.899 56.799 -9.530 23 HH21 ARG 2 HH21 ARG 2 -10.590 56.247 -6.390 24 HH22 ARG 2 HH22 ARG 2 -11.679 57.186 -7.368 25 H GLY 3 H GLY 3 -5.195 48.941 -9.207 26 HA2 GLY 3 HA2 GLY 3 -5.884 47.416 -11.603 27 HA3 GLY 3 HA3 GLY 3 -4.323 48.228 -11.719 28 H SER 4 H SER 4 -3.462 46.070 -11.925 29 HA SER 4 HA SER 4 -2.419 44.174 -11.267 30 HB2 SER 4 HB2 SER 4 -1.334 45.881 -9.751 31 HB3 SER 4 HB3 SER 4 -2.358 45.257 -8.442 32 HG SER 4 HG SER 4 -0.236 44.249 -8.616 33 H HIS 5 H HIS 5 -2.487 42.598 -8.983 34 HA HIS 5 HA HIS 5 -3.504 40.697 -8.288 35 HB2 HIS 5 HB2 HIS 5 -4.555 42.524 -6.880 36 HB3 HIS 5 HB3 HIS 5 -5.992 42.376 -7.883 37 HD2 HIS 5 HD2 HIS 5 -3.700 39.935 -5.824 38 HE1 HIS 5 HE1 HIS 5 -7.756 38.941 -4.949 39 HE2 HIS 5 HE2 HIS 5 -5.321 38.406 -4.419 40 H HIS 6 H HIS 6 -3.322 40.708 -10.957 41 HA HIS 6 HA HIS 6 -5.812 39.696 -12.164 42 HB2 HIS 6 HB2 HIS 6 -4.232 41.015 -13.503 43 HB3 HIS 6 HB3 HIS 6 -2.958 39.830 -13.205 44 HD2 HIS 6 HD2 HIS 6 -6.419 40.098 -14.984 45 HE1 HIS 6 HE1 HIS 6 -4.334 36.834 -16.772 46 HE2 HIS 6 HE2 HIS 6 -6.442 38.258 -16.872 47 H HIS 7 H HIS 7 -6.225 37.572 -12.760 48 HA HIS 7 HA HIS 7 -4.458 35.391 -11.783 49 HB2 HIS 7 HB2 HIS 7 -7.418 35.641 -11.103 50 HB3 HIS 7 HB3 HIS 7 -6.406 34.237 -10.777 51 HD2 HIS 7 HD2 HIS 7 -7.206 37.730 -9.461 52 HE1 HIS 7 HE1 HIS 7 -4.319 36.115 -6.771 53 HE2 HIS 7 HE2 HIS 7 -5.919 38.058 -7.194 54 H HIS 8 H HIS 8 -4.901 33.326 -12.717 55 HA HIS 8 HA HIS 8 -6.164 33.488 -15.421 56 HB2 HIS 8 HB2 HIS 8 -4.003 31.616 -14.404 57 HB3 HIS 8 HB3 HIS 8 -4.645 31.687 -16.045 58 HD2 HIS 8 HD2 HIS 8 -3.884 33.736 -17.615 59 HE1 HIS 8 HE1 HIS 8 -0.888 35.315 -15.018 60 HE2 HIS 8 HE2 HIS 8 -1.852 35.401 -17.373 61 H HIS 9 H HIS 9 -7.907 32.329 -15.874 62 HA HIS 9 HA HIS 9 -9.083 30.690 -13.744 63 HB2 HIS 9 HB2 HIS 9 -10.262 31.824 -16.300 64 HB3 HIS 9 HB3 HIS 9 -11.171 31.049 -15.003 65 HD2 HIS 9 HD2 HIS 9 -11.134 32.323 -12.534 66 HE1 HIS 9 HE1 HIS 9 -10.149 36.168 -14.103 67 HE2 HIS 9 HE2 HIS 9 -10.997 34.911 -12.053 68 H HIS 10 H HIS 10 -7.057 29.645 -16.013 69 HA HIS 10 HA HIS 10 -8.504 27.589 -17.361 70 HB2 HIS 10 HB2 HIS 10 -6.350 26.750 -18.036 71 HB3 HIS 10 HB3 HIS 10 -6.396 28.498 -18.172 72 HD2 HIS 10 HD2 HIS 10 -4.059 25.950 -17.261 73 HE1 HIS 10 HE1 HIS 10 -2.816 29.279 -14.908 74 HE2 HIS 10 HE2 HIS 10 -2.127 27.006 -15.822 75 H GLY 11 H GLY 11 -8.595 25.382 -17.132 76 HA2 GLY 11 HA2 GLY 11 -7.631 23.682 -15.132 77 HA3 GLY 11 HA3 GLY 11 -9.115 24.405 -14.492 78 H SER 12 H SER 12 -9.411 21.826 -14.683 79 HA SER 12 HA SER 12 -11.323 21.447 -16.866 80 HB2 SER 12 HB2 SER 12 -10.371 19.360 -17.728 81 HB3 SER 12 HB3 SER 12 -9.326 20.749 -18.039 82 HG SER 12 HG SER 12 -8.130 18.940 -17.290 83 H GLY 58 H GLY 58 -12.780 19.742 -16.622 84 HA2 GLY 58 HA2 GLY 58 -13.393 19.010 -13.889 85 HA3 GLY 58 HA3 GLY 58 -14.272 18.521 -15.332 86 H ALA 59 H ALA 59 -13.255 17.070 -12.855 87 HA ALA 59 HA ALA 59 -12.455 14.597 -14.174 88 HB1 ALA 59 HB1 ALA 59 -10.654 15.901 -12.076 89 HB2 ALA 59 HB2 ALA 59 -10.404 14.305 -12.835 90 HB3 ALA 59 HB3 ALA 59 -10.285 15.772 -13.809 91 H LEU 60 H LEU 60 -12.307 12.772 -12.517 92 HA LEU 60 HA LEU 60 -14.295 13.132 -10.314 93 HB2 LEU 60 HB2 LEU 60 -15.462 11.163 -11.007 94 HB3 LEU 60 HB3 LEU 60 -15.359 12.306 -12.330 95 HG LEU 60 HG LEU 60 -13.086 10.771 -12.803 96 HD11 LEU 60 HD11 LEU 60 -15.252 8.860 -11.786 97 HD12 LEU 60 HD12 LEU 60 -13.751 8.403 -12.619 98 HD13 LEU 60 HD13 LEU 60 -13.678 9.128 -11.011 99 HD21 LEU 60 HD21 LEU 60 -14.800 11.438 -14.420 100 HD22 LEU 60 HD22 LEU 60 -14.457 9.701 -14.564 101 HD23 LEU 60 HD23 LEU 60 -15.938 10.255 -13.735 102 H ALA 61 H ALA 61 -14.249 11.709 -8.590 103 HA ALA 61 HA ALA 61 -12.186 9.648 -8.342 104 HB1 ALA 61 HB1 ALA 61 -12.128 12.129 -6.563 105 HB2 ALA 61 HB2 ALA 61 -11.156 10.661 -6.328 106 HB3 ALA 61 HB3 ALA 61 -10.896 11.673 -7.757 107 H ALA 62 H ALA 62 -12.572 8.193 -6.677 108 HA ALA 62 HA ALA 62 -14.993 8.618 -5.018 109 HB1 ALA 62 HB1 ALA 62 -13.841 5.999 -6.077 110 HB2 ALA 62 HB2 ALA 62 -15.331 6.172 -5.132 111 HB3 ALA 62 HB3 ALA 62 -15.241 6.859 -6.766 112 H LEU 63 H LEU 63 -15.176 7.649 -2.978 113 HA LEU 63 HA LEU 63 -12.600 7.340 -1.500 114 HB2 LEU 63 HB2 LEU 63 -15.106 8.817 -0.600 115 HB3 LEU 63 HB3 LEU 63 -13.668 8.553 0.378 116 HG LEU 63 HG LEU 63 -13.782 10.252 -2.154 117 HD11 LEU 63 HD11 LEU 63 -13.556 11.039 0.781 118 HD12 LEU 63 HD12 LEU 63 -13.533 12.143 -0.613 119 HD13 LEU 63 HD13 LEU 63 -15.002 11.230 -0.236 120 HD21 LEU 63 HD21 LEU 63 -11.536 9.335 -1.853 121 HD22 LEU 63 HD22 LEU 63 -11.544 11.044 -1.387 122 HD23 LEU 63 HD23 LEU 63 -11.548 9.789 -0.138 123 H HIS 64 H HIS 64 -12.565 5.968 0.227 124 HA HIS 64 HA HIS 64 -14.641 3.920 0.619 125 HB2 HIS 64 HB2 HIS 64 -12.129 4.728 2.099 126 HB3 HIS 64 HB3 HIS 64 -13.178 3.424 2.655 127 HD2 HIS 64 HD2 HIS 64 -10.093 3.902 0.813 128 HE1 HIS 64 HE1 HIS 64 -11.605 0.207 -0.666 129 HE2 HIS 64 HE2 HIS 64 -9.555 1.696 -0.537 130 H ALA 65 H ALA 65 -16.183 3.876 2.255 131 HA ALA 65 HA ALA 65 -16.735 6.495 3.558 132 HB1 ALA 65 HB1 ALA 65 -18.562 4.160 2.882 133 HB2 ALA 65 HB2 ALA 65 -19.059 5.752 3.492 134 HB3 ALA 65 HB3 ALA 65 -18.315 5.617 1.888 135 H GLU 66 H GLU 66 -15.705 3.356 4.556 136 HA GLU 66 HA GLU 66 -16.596 3.839 7.370 137 HB2 GLU 66 HB2 GLU 66 -16.952 1.271 5.772 138 HB3 GLU 66 HB3 GLU 66 -17.192 1.426 7.513 139 HG2 GLU 66 HG2 GLU 66 -18.967 3.142 7.097 140 HG3 GLU 66 HG3 GLU 66 -18.801 2.856 5.360 141 H GLY 67 H GLY 67 -15.481 2.628 8.994 142 HA2 GLY 67 HA2 GLY 67 -13.676 1.636 10.031 143 HA3 GLY 67 HA3 GLY 67 -13.226 0.967 8.467 144 HA PRO 68 HA PRO 68 -9.856 3.912 9.918 145 HB2 PRO 68 HB2 PRO 68 -7.786 2.404 8.801 146 HB3 PRO 68 HB3 PRO 68 -8.413 2.228 10.473 147 HG2 PRO 68 HG2 PRO 68 -9.121 0.624 8.004 148 HG3 PRO 68 HG3 PRO 68 -8.749 0.021 9.651 149 HD2 PRO 68 HD2 PRO 68 -11.285 0.257 8.818 150 HD3 PRO 68 HD3 PRO 68 -10.854 0.744 10.483 151 H LEU 69 H LEU 69 -10.661 2.495 6.825 152 HA LEU 69 HA LEU 69 -9.095 4.376 5.215 153 HB2 LEU 69 HB2 LEU 69 -10.647 1.864 4.858 154 HB3 LEU 69 HB3 LEU 69 -10.761 2.982 3.511 155 HG LEU 69 HG LEU 69 -8.405 2.958 3.123 156 HD11 LEU 69 HD11 LEU 69 -8.145 1.264 5.644 157 HD12 LEU 69 HD12 LEU 69 -6.855 1.522 4.451 158 HD13 LEU 69 HD13 LEU 69 -7.468 2.889 5.376 159 HD21 LEU 69 HD21 LEU 69 -9.726 1.013 2.276 160 HD22 LEU 69 HD22 LEU 69 -8.036 0.584 2.604 161 HD23 LEU 69 HD23 LEU 69 -9.314 0.110 3.742 162 H ALA 70 H ALA 70 -12.070 4.743 6.829 163 HA ALA 70 HA ALA 70 -13.710 5.969 4.932 164 HB1 ALA 70 HB1 ALA 70 -13.348 6.701 7.865 165 HB2 ALA 70 HB2 ALA 70 -14.735 7.139 6.845 166 HB3 ALA 70 HB3 ALA 70 -14.417 5.438 7.221 167 H GLY 71 H GLY 71 -13.592 7.735 3.714 168 HA2 GLY 71 HA2 GLY 71 -13.208 10.013 3.214 169 HA3 GLY 71 HA3 GLY 71 -12.056 10.128 4.556 170 H LEU 72 H LEU 72 -11.111 7.386 2.932 171 HA LEU 72 HA LEU 72 -9.008 8.946 1.510 172 HB2 LEU 72 HB2 LEU 72 -9.008 6.085 2.479 173 HB3 LEU 72 HB3 LEU 72 -7.628 7.008 1.889 174 HG LEU 72 HG LEU 72 -9.070 7.372 4.526 175 HD11 LEU 72 HD11 LEU 72 -6.174 6.711 3.846 176 HD12 LEU 72 HD12 LEU 72 -6.924 6.735 5.459 177 HD13 LEU 72 HD13 LEU 72 -7.406 5.512 4.269 178 HD21 LEU 72 HD21 LEU 72 -8.498 9.619 3.759 179 HD22 LEU 72 HD22 LEU 72 -7.375 9.120 5.023 180 HD23 LEU 72 HD23 LEU 72 -6.855 9.088 3.325 181 HA PRO 73 HA PRO 73 -10.146 7.584 -2.605 182 HB2 PRO 73 HB2 PRO 73 -7.725 6.857 -3.705 183 HB3 PRO 73 HB3 PRO 73 -8.266 8.541 -3.504 184 HG2 PRO 73 HG2 PRO 73 -6.474 6.906 -1.683 185 HG3 PRO 73 HG3 PRO 73 -6.211 8.571 -2.269 186 HD2 PRO 73 HD2 PRO 73 -7.189 8.132 0.173 187 HD3 PRO 73 HD3 PRO 73 -7.900 9.423 -0.814 188 H VAL 74 H VAL 74 -10.852 5.809 -3.640 189 HA VAL 74 HA VAL 74 -10.319 3.189 -2.423 190 HB VAL 74 HB VAL 74 -11.966 3.813 -4.896 191 HG11 VAL 74 HG11 VAL 74 -11.855 1.368 -3.092 192 HG12 VAL 74 HG12 VAL 74 -13.031 1.641 -4.397 193 HG13 VAL 74 HG13 VAL 74 -11.322 1.449 -4.788 194 HG21 VAL 74 HG21 VAL 74 -12.908 4.956 -2.931 195 HG22 VAL 74 HG22 VAL 74 -13.911 3.577 -3.374 196 HG23 VAL 74 HG23 VAL 74 -12.806 3.449 -1.989 197 H THR 75 H THR 75 -9.363 4.925 -5.376 198 HA THR 75 HA THR 75 -7.328 2.797 -5.932 199 HB THR 75 HB THR 75 -7.805 2.861 -8.210 200 HG1 THR 75 HG1 THR 75 -9.292 4.524 -9.034 201 HG21 THR 75 HG21 THR 75 -10.559 3.384 -7.021 202 HG22 THR 75 HG22 THR 75 -10.184 2.509 -8.520 203 HG23 THR 75 HG23 THR 75 -9.711 1.826 -6.952 204 H ARG 76 H ARG 76 -5.506 3.427 -7.308 205 HA ARG 76 HA ARG 76 -4.201 5.851 -6.487 206 HB2 ARG 76 HB2 ARG 76 -2.499 5.304 -8.150 207 HB3 ARG 76 HB3 ARG 76 -2.946 3.894 -7.196 208 HG2 ARG 76 HG2 ARG 76 -4.395 3.099 -9.088 209 HG3 ARG 76 HG3 ARG 76 -3.862 4.478 -10.058 210 HD2 ARG 76 HD2 ARG 76 -1.971 2.409 -8.860 211 HD3 ARG 76 HD3 ARG 76 -2.664 2.258 -10.465 212 HE ARG 76 HE ARG 76 -0.576 4.179 -9.576 213 HH11 ARG 76 HH11 ARG 76 -2.669 3.323 -12.282 214 HH12 ARG 76 HH12 ARG 76 -1.624 4.124 -13.420 215 HH21 ARG 76 HH21 ARG 76 0.687 5.072 -11.015 216 HH22 ARG 76 HH22 ARG 76 0.244 5.127 -12.713 217 H SER 77 H SER 77 -6.334 5.228 -9.234 218 HA SER 77 HA SER 77 -5.883 7.760 -10.554 219 HB2 SER 77 HB2 SER 77 -8.336 5.965 -10.640 220 HB3 SER 77 HB3 SER 77 -7.920 7.257 -11.780 221 HG SER 77 HG SER 77 -7.275 5.173 -12.555 222 H ASP 78 H ASP 78 -8.306 6.673 -8.075 223 HA ASP 78 HA ASP 78 -9.623 9.215 -7.855 224 HB2 ASP 78 HB2 ASP 78 -9.127 7.248 -5.591 225 HB3 ASP 78 HB3 ASP 78 -10.346 8.521 -5.644 226 H ALA 79 H ALA 79 -6.765 7.884 -6.111 227 HA ALA 79 HA ALA 79 -6.277 10.139 -4.462 228 HB1 ALA 79 HB1 ALA 79 -4.238 8.199 -5.647 229 HB2 ALA 79 HB2 ALA 79 -4.093 9.143 -4.148 230 HB3 ALA 79 HB3 ALA 79 -5.273 7.823 -4.265 231 H ARG 80 H ARG 80 -4.873 9.415 -7.702 232 HA ARG 80 HA ARG 80 -3.359 11.806 -8.071 233 HB2 ARG 80 HB2 ARG 80 -3.267 9.713 -9.437 234 HB3 ARG 80 HB3 ARG 80 -4.840 10.107 -10.141 235 HG2 ARG 80 HG2 ARG 80 -3.879 12.179 -11.122 236 HG3 ARG 80 HG3 ARG 80 -2.329 11.817 -10.337 237 HD2 ARG 80 HD2 ARG 80 -2.130 9.739 -11.640 238 HD3 ARG 80 HD3 ARG 80 -3.677 10.046 -12.424 239 HE ARG 80 HE ARG 80 -1.098 11.471 -12.837 240 HH11 ARG 80 HH11 ARG 80 -4.472 11.305 -13.821 241 HH12 ARG 80 HH12 ARG 80 -4.193 12.293 -15.228 242 HH21 ARG 80 HH21 ARG 80 -0.826 12.699 -14.656 243 HH22 ARG 80 HH22 ARG 80 -2.178 13.053 -15.686 244 H VAL 81 H VAL 81 -6.810 11.206 -8.899 245 HA VAL 81 HA VAL 81 -7.144 13.932 -9.859 246 HB VAL 81 HB VAL 81 -9.176 11.771 -9.238 247 HG11 VAL 81 HG11 VAL 81 -9.504 14.569 -10.418 248 HG12 VAL 81 HG12 VAL 81 -10.676 13.268 -10.681 249 HG13 VAL 81 HG13 VAL 81 -10.385 13.861 -9.045 250 HG21 VAL 81 HG21 VAL 81 -7.674 11.330 -11.187 251 HG22 VAL 81 HG22 VAL 81 -9.338 11.628 -11.693 252 HG23 VAL 81 HG23 VAL 81 -8.115 12.907 -11.874 253 H LEU 82 H LEU 82 -7.785 12.421 -6.626 254 HA LEU 82 HA LEU 82 -9.003 14.770 -5.510 255 HB2 LEU 82 HB2 LEU 82 -7.353 12.518 -4.316 256 HB3 LEU 82 HB3 LEU 82 -8.064 13.776 -3.321 257 HG LEU 82 HG LEU 82 -9.767 12.088 -5.185 258 HD11 LEU 82 HD11 LEU 82 -9.247 11.573 -2.232 259 HD12 LEU 82 HD12 LEU 82 -10.228 10.596 -3.371 260 HD13 LEU 82 HD13 LEU 82 -8.473 10.687 -3.559 261 HD21 LEU 82 HD21 LEU 82 -10.856 14.134 -4.369 262 HD22 LEU 82 HD22 LEU 82 -11.584 12.696 -3.640 263 HD23 LEU 82 HD23 LEU 82 -10.455 13.691 -2.694 264 H ILE 83 H ILE 83 -5.523 13.818 -5.699 265 HA ILE 83 HA ILE 83 -4.510 16.221 -4.489 266 HB ILE 83 HB ILE 83 -3.240 14.378 -6.549 267 HG12 ILE 83 HG12 ILE 83 -2.630 14.507 -3.570 268 HG13 ILE 83 HG13 ILE 83 -3.908 13.468 -4.176 269 HG21 ILE 83 HG21 ILE 83 -2.048 16.625 -4.850 270 HG22 ILE 83 HG22 ILE 83 -1.066 15.409 -5.665 271 HG23 ILE 83 HG23 ILE 83 -2.050 16.515 -6.623 272 HD11 ILE 83 HD11 ILE 83 -0.958 13.260 -4.862 273 HD12 ILE 83 HD12 ILE 83 -1.964 12.108 -3.971 274 HD13 ILE 83 HD13 ILE 83 -2.248 12.353 -5.697 275 H PHE 84 H PHE 84 -5.231 15.464 -7.949 276 HA PHE 84 HA PHE 84 -4.415 17.969 -8.989 277 HB2 PHE 84 HB2 PHE 84 -4.931 16.021 -10.404 278 HB3 PHE 84 HB3 PHE 84 -6.608 16.077 -9.895 279 HD1 PHE 84 HD2 PHE 84 -4.760 19.214 -10.752 280 HD2 PHE 84 HD1 PHE 84 -7.564 16.216 -12.080 281 HE1 PHE 84 HE2 PHE 84 -5.297 20.598 -12.696 282 HE2 PHE 84 HE1 PHE 84 -8.146 17.648 -14.026 283 HZ PHE 84 HZ PHE 84 -7.016 19.837 -14.343 284 H ASN 85 H ASN 85 -7.737 17.004 -7.884 285 HA ASN 85 HA ASN 85 -8.822 19.585 -8.447 286 HB2 ASN 85 HB2 ASN 85 -10.150 17.494 -8.322 287 HB3 ASN 85 HB3 ASN 85 -9.815 17.358 -6.594 288 HD21 ASN 85 HD22 ASN 85 -11.181 18.498 -5.153 289 HD22 ASN 85 HD21 ASN 85 -12.417 19.605 -5.720 290 H GLU 86 H GLU 86 -7.394 18.232 -5.451 291 HA GLU 86 HA GLU 86 -7.856 20.418 -3.676 292 HB2 GLU 86 HB2 GLU 86 -6.944 18.226 -2.997 293 HB3 GLU 86 HB3 GLU 86 -5.488 18.521 -3.947 294 HG2 GLU 86 HG2 GLU 86 -5.077 20.564 -2.448 295 HG3 GLU 86 HG3 GLU 86 -6.372 19.947 -1.421 296 H TRP 87 H TRP 87 -4.952 19.810 -5.808 297 HA TRP 87 HA TRP 87 -3.742 22.324 -5.499 298 HB2 TRP 87 HB2 TRP 87 -2.601 20.539 -6.656 299 HB3 TRP 87 HB3 TRP 87 -3.862 20.442 -7.882 300 HD1 TRP 87 HD1 TRP 87 -0.985 22.662 -6.758 301 HE1 TRP 87 HE1 TRP 87 -0.328 24.307 -8.629 302 HE3 TRP 87 HE3 TRP 87 -4.807 21.744 -10.082 303 HZ2 TRP 87 HZ2 TRP 87 -1.222 24.999 -11.252 304 HZ3 TRP 87 HZ3 TRP 87 -4.877 22.947 -12.240 305 HH2 TRP 87 HH2 TRP 87 -3.102 24.569 -12.842 306 H GLU 88 H GLU 88 -6.301 21.397 -7.887 307 HA GLU 88 HA GLU 88 -6.171 23.878 -9.229 308 HB2 GLU 88 HB2 GLU 88 -7.263 21.601 -9.953 309 HB3 GLU 88 HB3 GLU 88 -8.715 22.251 -9.169 310 HG2 GLU 88 HG2 GLU 88 -8.255 24.379 -10.590 311 HG3 GLU 88 HG3 GLU 88 -7.083 23.416 -11.461 312 H GLU 89 H GLU 89 -8.383 22.903 -6.540 313 HA GLU 89 HA GLU 89 -9.813 25.390 -6.519 314 HB2 GLU 89 HB2 GLU 89 -10.412 23.074 -5.477 315 HB3 GLU 89 HB3 GLU 89 -9.370 23.562 -4.141 316 HG2 GLU 89 HG2 GLU 89 -11.461 24.207 -3.413 317 HG3 GLU 89 HG3 GLU 89 -10.848 25.719 -4.073 318 H ARG 90 H ARG 90 -6.947 24.232 -4.678 319 HA ARG 90 HA ARG 90 -6.481 26.628 -3.132 320 HB2 ARG 90 HB2 ARG 90 -4.527 24.641 -4.347 321 HB3 ARG 90 HB3 ARG 90 -4.087 25.858 -3.153 322 HG2 ARG 90 HG2 ARG 90 -6.253 23.843 -2.506 323 HG3 ARG 90 HG3 ARG 90 -4.561 23.360 -2.543 324 HD2 ARG 90 HD2 ARG 90 -5.106 23.904 -0.269 325 HD3 ARG 90 HD3 ARG 90 -4.042 25.173 -0.890 326 HE ARG 90 HE ARG 90 -7.014 25.552 -0.949 327 HH11 ARG 90 HH11 ARG 90 -4.030 26.465 0.651 328 HH12 ARG 90 HH12 ARG 90 -4.753 27.861 1.400 329 HH21 ARG 90 HH21 ARG 90 -7.870 27.355 0.037 330 HH22 ARG 90 HH22 ARG 90 -6.869 28.341 1.058 331 H LYS 91 H LYS 91 -5.173 25.644 -6.262 332 HA LYS 91 HA LYS 91 -3.797 27.999 -7.015 333 HB2 LYS 91 HB2 LYS 91 -3.523 25.940 -8.193 334 HB3 LYS 91 HB3 LYS 91 -5.197 25.904 -8.716 335 HG2 LYS 91 HG2 LYS 91 -3.415 28.198 -9.576 336 HG3 LYS 91 HG3 LYS 91 -3.255 26.616 -10.326 337 HD2 LYS 91 HD2 LYS 91 -5.724 26.657 -10.879 338 HD3 LYS 91 HD3 LYS 91 -5.757 28.351 -10.343 339 HE2 LYS 91 HE2 LYS 91 -3.935 28.867 -11.990 340 HE3 LYS 91 HE3 LYS 91 -3.991 27.187 -12.543 341 HZ1 LYS 91 HZ1 LYS 91 -6.205 29.181 -12.772 342 HZ2 LYS 91 HZ2 LYS 91 -5.335 28.556 -13.996 343 HZ3 LYS 91 HZ3 LYS 91 -6.356 27.580 -13.198 344 H LYS 92 H LYS 92 -7.282 27.298 -7.578 345 HA LYS 92 HA LYS 92 -7.875 29.806 -8.870 346 HB2 LYS 92 HB2 LYS 92 -9.567 27.828 -7.302 347 HB3 LYS 92 HB3 LYS 92 -10.243 29.291 -8.020 348 HG2 LYS 92 HG2 LYS 92 -9.792 28.589 -10.243 349 HG3 LYS 92 HG3 LYS 92 -8.649 27.352 -9.729 350 HD2 LYS 92 HD2 LYS 92 -10.696 26.264 -10.421 351 HD3 LYS 92 HD3 LYS 92 -10.472 26.054 -8.684 352 HE2 LYS 92 HE2 LYS 92 -12.032 28.117 -8.405 353 HE3 LYS 92 HE3 LYS 92 -12.404 27.924 -10.124 354 HZ1 LYS 92 HZ1 LYS 92 -12.838 25.914 -7.962 355 HZ2 LYS 92 HZ2 LYS 92 -14.012 26.730 -8.763 356 HZ3 LYS 92 HZ3 LYS 92 -13.127 25.606 -9.560 357 H SER 93 H SER 93 -7.862 28.961 -5.361 358 HA SER 93 HA SER 93 -8.592 31.678 -4.583 359 HB2 SER 93 HB2 SER 93 -7.341 29.420 -2.989 360 HB3 SER 93 HB3 SER 93 -7.917 30.958 -2.316 361 HG SER 93 HG SER 93 -9.543 29.338 -2.178 362 H ASP 94 H ASP 94 -5.472 30.045 -4.995 363 HA ASP 94 HA ASP 94 -3.886 32.507 -4.592 364 HB2 ASP 94 HB2 ASP 94 -3.733 29.971 -2.920 365 HB3 ASP 94 HB3 ASP 94 -2.417 31.131 -3.042 366 HA PRO 95 HA PRO 95 -2.799 30.095 -8.211 367 HB2 PRO 95 HB2 PRO 95 -1.346 31.931 -9.649 368 HB3 PRO 95 HB3 PRO 95 -3.109 32.066 -9.364 369 HG2 PRO 95 HG2 PRO 95 -0.874 33.307 -7.695 370 HG3 PRO 95 HG3 PRO 95 -2.253 34.162 -8.487 371 HD2 PRO 95 HD2 PRO 95 -2.413 33.440 -5.918 372 HD3 PRO 95 HD3 PRO 95 -3.822 33.097 -6.976 373 H TRP 96 H TRP 96 -0.279 31.051 -6.051 374 HA TRP 96 HA TRP 96 2.039 30.407 -7.518 375 HB2 TRP 96 HB2 TRP 96 3.172 30.525 -5.431 376 HB3 TRP 96 HB3 TRP 96 1.866 31.690 -5.340 377 HD1 TRP 96 HD1 TRP 96 -0.409 30.689 -4.010 378 HE1 TRP 96 HE1 TRP 96 -0.572 29.223 -1.902 379 HE3 TRP 96 HE3 TRP 96 4.301 28.715 -4.063 380 HZ2 TRP 96 HZ2 TRP 96 1.110 27.360 -0.480 381 HZ3 TRP 96 HZ3 TRP 96 4.986 27.049 -2.346 382 HH2 TRP 96 HH2 TRP 96 3.404 26.366 -0.554 383 H LEU 97 H LEU 97 -0.170 28.141 -5.971 384 HA LEU 97 HA LEU 97 1.688 26.348 -5.002 385 HB2 LEU 97 HB2 LEU 97 -0.732 26.581 -4.381 386 HB3 LEU 97 HB3 LEU 97 -1.161 25.751 -5.879 387 HG LEU 97 HG LEU 97 0.069 23.717 -5.067 388 HD11 LEU 97 HD11 LEU 97 0.289 25.291 -2.463 389 HD12 LEU 97 HD12 LEU 97 0.620 23.556 -2.655 390 HD13 LEU 97 HD13 LEU 97 1.652 24.744 -3.457 391 HD21 LEU 97 HD21 LEU 97 -2.353 24.038 -4.762 392 HD22 LEU 97 HD22 LEU 97 -1.638 23.061 -3.460 393 HD23 LEU 97 HD23 LEU 97 -2.040 24.772 -3.168 394 H ARG 98 H ARG 98 2.497 24.299 -5.650 395 HA ARG 98 HA ARG 98 2.400 23.651 -8.564 396 HB2 ARG 98 HB2 ARG 98 4.441 22.405 -8.249 397 HB3 ARG 98 HB3 ARG 98 4.619 24.077 -7.722 398 HG2 ARG 98 HG2 ARG 98 4.435 23.356 -5.340 399 HG3 ARG 98 HG3 ARG 98 4.180 21.688 -5.865 400 HD2 ARG 98 HD2 ARG 98 6.470 21.918 -5.196 401 HD3 ARG 98 HD3 ARG 98 6.413 21.697 -6.953 402 HE ARG 98 HE ARG 98 6.444 24.509 -6.197 403 HH11 ARG 98 HH11 ARG 98 8.614 21.784 -6.568 404 HH12 ARG 98 HH12 ARG 98 9.996 22.802 -6.865 405 HH21 ARG 98 HH21 ARG 98 8.245 25.756 -6.602 406 HH22 ARG 98 HH22 ARG 98 9.784 24.998 -6.874 407 H LEU 99 H LEU 99 2.145 21.538 -9.310 408 HA LEU 99 HA LEU 99 0.381 19.819 -7.610 409 HB2 LEU 99 HB2 LEU 99 -0.452 21.065 -9.726 410 HB3 LEU 99 HB3 LEU 99 0.537 19.956 -10.635 411 HG LEU 99 HG LEU 99 -1.994 19.331 -9.026 412 HD11 LEU 99 HD11 LEU 99 -1.138 18.929 -11.923 413 HD12 LEU 99 HD12 LEU 99 -2.693 18.448 -11.232 414 HD13 LEU 99 HD13 LEU 99 -2.263 20.167 -11.326 415 HD21 LEU 99 HD21 LEU 99 -0.527 17.537 -8.478 416 HD22 LEU 99 HD22 LEU 99 -1.784 17.041 -9.589 417 HD23 LEU 99 HD23 LEU 99 -0.124 17.304 -10.210 418 H ASP 100 H ASP 100 1.413 17.988 -6.891 419 HA ASP 100 HA ASP 100 3.182 16.465 -8.761 420 HB2 ASP 100 HB2 ASP 100 3.766 17.178 -5.864 421 HB3 ASP 100 HB3 ASP 100 4.570 15.875 -6.731 422 H MET 101 H MET 101 2.380 14.497 -9.085 423 HA MET 101 HA MET 101 1.291 12.876 -6.900 424 HB2 MET 101 HB2 MET 101 -0.874 12.459 -8.359 425 HB3 MET 101 HB3 MET 101 -0.736 13.749 -7.200 426 HG2 MET 101 HG2 MET 101 -1.824 14.675 -9.002 427 HG3 MET 101 HG3 MET 101 -0.207 15.328 -9.024 428 HE1 MET 101 HE1 MET 101 -1.925 15.930 -11.457 429 HE2 MET 101 HE2 MET 101 -2.170 14.641 -12.651 430 HE3 MET 101 HE3 MET 101 -2.951 14.528 -11.054 431 H SER 102 H SER 102 3.551 12.334 -7.938 432 HA SER 102 HA SER 102 3.388 10.054 -9.785 433 HB2 SER 102 HB2 SER 102 5.502 11.244 -9.407 434 HB3 SER 102 HB3 SER 102 5.458 10.819 -7.684 435 HG SER 102 HG SER 102 6.766 9.407 -9.080 436 H ASP 103 H ASP 103 3.589 7.803 -9.058 437 HA ASP 103 HA ASP 103 1.663 7.001 -7.148 438 HB2 ASP 103 HB2 ASP 103 4.035 5.551 -8.371 439 HB3 ASP 103 HB3 ASP 103 2.889 4.763 -7.286 440 H LYS 104 H LYS 104 5.108 7.682 -6.652 441 HA LYS 104 HA LYS 104 5.310 6.718 -3.929 442 HB2 LYS 104 HB2 LYS 104 6.825 8.821 -5.535 443 HB3 LYS 104 HB3 LYS 104 7.141 8.557 -3.826 444 HG2 LYS 104 HG2 LYS 104 8.755 7.346 -5.093 445 HG3 LYS 104 HG3 LYS 104 7.721 6.216 -4.216 446 HD2 LYS 104 HD2 LYS 104 6.557 5.591 -6.277 447 HD3 LYS 104 HD3 LYS 104 7.341 6.912 -7.160 448 HE2 LYS 104 HE2 LYS 104 8.431 4.880 -7.784 449 HE3 LYS 104 HE3 LYS 104 9.554 5.841 -6.823 450 HZ1 LYS 104 HZ1 LYS 104 7.974 3.527 -5.789 451 HZ2 LYS 104 HZ2 LYS 104 9.559 3.488 -6.168 452 HZ3 LYS 104 HZ3 LYS 104 9.057 4.393 -4.910 453 H ALA 105 H ALA 105 4.176 9.861 -5.239 454 HA ALA 105 HA ALA 105 3.723 11.077 -2.640 455 HB1 ALA 105 HB1 ALA 105 2.544 11.757 -5.351 456 HB2 ALA 105 HB2 ALA 105 2.535 12.776 -3.903 457 HB3 ALA 105 HB3 ALA 105 4.072 12.394 -4.700 458 H ILE 106 H ILE 106 1.723 9.170 -4.893 459 HA ILE 106 HA ILE 106 -0.681 9.427 -3.294 460 HB ILE 106 HB ILE 106 0.169 7.542 -5.508 461 HG12 ILE 106 HG12 ILE 106 -1.887 8.545 -6.576 462 HG13 ILE 106 HG13 ILE 106 -2.080 9.582 -5.157 463 HG21 ILE 106 HG21 ILE 106 -2.403 7.260 -3.889 464 HG22 ILE 106 HG22 ILE 106 -2.103 6.519 -5.480 465 HG23 ILE 106 HG23 ILE 106 -1.126 6.042 -4.105 466 HD11 ILE 106 HD11 ILE 106 0.302 9.548 -7.022 467 HD12 ILE 106 HD12 ILE 106 -1.020 10.726 -7.043 468 HD13 ILE 106 HD13 ILE 106 0.091 10.681 -5.658 469 H PHE 107 H PHE 107 1.787 6.819 -3.362 470 HA PHE 107 HA PHE 107 0.518 5.364 -1.239 471 HB2 PHE 107 HB2 PHE 107 3.465 5.315 -1.922 472 HB3 PHE 107 HB3 PHE 107 2.533 4.101 -1.038 473 HD1 PHE 107 HD1 PHE 107 0.056 4.188 -2.988 474 HD2 PHE 107 HD2 PHE 107 4.308 3.729 -3.553 475 HE1 PHE 107 HE1 PHE 107 -0.362 2.955 -5.061 476 HE2 PHE 107 HE2 PHE 107 3.879 2.450 -5.637 477 HZ PHE 107 HZ PHE 107 1.543 2.066 -6.409 478 H ARG 108 H ARG 108 2.950 8.008 -1.105 479 HA ARG 108 HA ARG 108 3.368 7.835 1.736 480 HB2 ARG 108 HB2 ARG 108 4.877 8.944 0.079 481 HB3 ARG 108 HB3 ARG 108 3.712 10.275 -0.058 482 HG2 ARG 108 HG2 ARG 108 4.009 10.764 2.362 483 HG3 ARG 108 HG3 ARG 108 5.081 9.360 2.517 484 HD2 ARG 108 HD2 ARG 108 6.638 10.412 0.866 485 HD3 ARG 108 HD3 ARG 108 5.620 11.849 0.830 486 HE ARG 108 HE ARG 108 7.441 10.947 2.966 487 HH11 ARG 108 HH11 ARG 108 4.855 13.225 2.275 488 HH12 ARG 108 HH12 ARG 108 5.256 14.220 3.649 489 HH21 ARG 108 HH21 ARG 108 7.887 12.260 4.683 490 HH22 ARG 108 HH22 ARG 108 6.933 13.685 4.970 491 H ARG 109 H ARG 109 0.990 9.752 -0.164 492 HA ARG 109 HA ARG 109 -0.247 10.949 2.218 493 HB2 ARG 109 HB2 ARG 109 -1.126 10.586 -0.675 494 HB3 ARG 109 HB3 ARG 109 -2.194 11.250 0.567 495 HG2 ARG 109 HG2 ARG 109 -0.626 13.084 1.017 496 HG3 ARG 109 HG3 ARG 109 0.480 12.470 -0.236 497 HD2 ARG 109 HD2 ARG 109 -1.177 12.803 -1.960 498 HD3 ARG 109 HD3 ARG 109 -2.442 13.130 -0.771 499 HE ARG 109 HE ARG 109 -0.072 14.936 -1.135 500 HH11 ARG 109 HH11 ARG 109 -3.588 14.662 -0.854 501 HH12 ARG 109 HH12 ARG 109 -3.790 16.401 -0.956 502 HH21 ARG 109 HH21 ARG 109 -0.494 17.143 -1.300 503 HH22 ARG 109 HH22 ARG 109 -2.163 17.692 -1.299 504 H TYR 110 H TYR 110 -0.934 8.088 0.258 505 HA TYR 110 HA TYR 110 -3.114 7.244 2.116 506 HB2 TYR 110 HB2 TYR 110 -3.038 6.921 -0.891 507 HB3 TYR 110 HB3 TYR 110 -4.385 6.645 0.202 508 HD1 TYR 110 HD1 TYR 110 -5.112 8.807 1.638 509 HD2 TYR 110 HD2 TYR 110 -2.958 8.904 -2.089 510 HE1 TYR 110 HE1 TYR 110 -5.912 11.127 1.242 511 HE2 TYR 110 HE2 TYR 110 -3.772 11.233 -2.498 512 HH TYR 110 HH TYR 110 -5.877 12.958 -0.173 513 HA PRO 111 HA PRO 111 0.276 4.146 1.907 514 HB2 PRO 111 HB2 PRO 111 0.073 3.062 4.426 515 HB3 PRO 111 HB3 PRO 111 0.847 4.635 4.070 516 HG2 PRO 111 HG2 PRO 111 -2.003 4.134 4.993 517 HG3 PRO 111 HG3 PRO 111 -0.805 5.281 5.678 518 HD2 PRO 111 HD2 PRO 111 -2.672 6.117 3.921 519 HD3 PRO 111 HD3 PRO 111 -0.994 6.734 3.808 520 H HIS 112 H HIS 112 -3.119 3.518 2.313 521 HA HIS 112 HA HIS 112 -2.916 0.613 2.186 522 HB2 HIS 112 HB2 HIS 112 -5.292 0.647 2.155 523 HB3 HIS 112 HB3 HIS 112 -4.722 1.796 3.357 524 HD2 HIS 112 HD2 HIS 112 -7.047 1.498 0.491 525 HE1 HIS 112 HE1 HIS 112 -6.414 5.688 0.761 526 HE2 HIS 112 HE2 HIS 112 -7.849 3.905 -0.267 527 H LEU 113 H LEU 113 -2.488 3.002 -0.243 528 HA LEU 113 HA LEU 113 -3.589 1.337 -2.400 529 HB2 LEU 113 HB2 LEU 113 -2.160 4.010 -2.346 530 HB3 LEU 113 HB3 LEU 113 -2.391 3.139 -3.848 531 HG LEU 113 HG LEU 113 -4.087 4.853 -3.602 532 HD11 LEU 113 HD11 LEU 113 -5.389 2.122 -3.245 533 HD12 LEU 113 HD12 LEU 113 -6.109 3.572 -3.927 534 HD13 LEU 113 HD13 LEU 113 -4.759 2.768 -4.780 535 HD21 LEU 113 HD21 LEU 113 -4.177 4.826 -1.111 536 HD22 LEU 113 HD22 LEU 113 -5.773 4.808 -1.907 537 HD23 LEU 113 HD23 LEU 113 -5.104 3.323 -1.212 538 H ARG 114 H ARG 114 -0.345 1.811 -1.007 539 HA ARG 114 HA ARG 114 1.157 0.663 -3.116 540 HB2 ARG 114 HB2 ARG 114 1.981 1.969 -1.138 541 HB3 ARG 114 HB3 ARG 114 1.792 0.538 -0.141 542 HG2 ARG 114 HG2 ARG 114 3.447 0.444 -2.695 543 HG3 ARG 114 HG3 ARG 114 4.120 1.191 -1.254 544 HD2 ARG 114 HD2 ARG 114 3.086 -1.667 -1.331 545 HD3 ARG 114 HD3 ARG 114 4.773 -1.196 -1.574 546 HE ARG 114 HE ARG 114 4.056 -0.014 0.839 547 HH11 ARG 114 HH11 ARG 114 4.215 -3.320 -0.308 548 HH12 ARG 114 HH12 ARG 114 4.543 -3.955 1.281 549 HH21 ARG 114 HH21 ARG 114 4.461 -0.887 2.839 550 HH22 ARG 114 HH22 ARG 114 4.678 -2.603 3.015 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -36.312 36.910 3.781 2 H2 MET 1 H2 MET 1 -35.566 36.807 5.233 3 H3 MET 1 H3 MET 1 -35.576 35.517 4.230 4 HA MET 1 HA MET 1 -33.410 36.567 4.204 5 HB2 MET 1 HB2 MET 1 -34.292 35.419 2.173 6 HB3 MET 1 HB3 MET 1 -34.892 36.953 1.555 7 HG2 MET 1 HG2 MET 1 -31.960 36.449 2.216 8 HG3 MET 1 HG3 MET 1 -32.679 36.045 0.665 9 HE1 MET 1 HE1 MET 1 -30.814 37.358 -0.578 10 HE2 MET 1 HE2 MET 1 -30.431 39.068 -0.290 11 HE3 MET 1 HE3 MET 1 -30.078 37.857 0.963 12 H ARG 2 H ARG 2 -32.199 38.404 4.381 13 HA ARG 2 HA ARG 2 -33.277 41.054 3.631 14 HB2 ARG 2 HB2 ARG 2 -34.078 40.564 5.957 15 HB3 ARG 2 HB3 ARG 2 -32.405 40.387 6.485 16 HG2 ARG 2 HG2 ARG 2 -31.948 42.739 5.980 17 HG3 ARG 2 HG3 ARG 2 -33.557 42.946 5.268 18 HD2 ARG 2 HD2 ARG 2 -33.020 42.185 8.170 19 HD3 ARG 2 HD3 ARG 2 -33.291 43.843 7.603 20 HE ARG 2 HE ARG 2 -35.487 42.396 6.661 21 HH11 ARG 2 HH11 ARG 2 -34.227 43.185 9.836 22 HH12 ARG 2 HH12 ARG 2 -35.801 43.106 10.582 23 HH21 ARG 2 HH21 ARG 2 -37.464 42.300 7.675 24 HH22 ARG 2 HH22 ARG 2 -37.585 42.621 9.380 25 H GLY 3 H GLY 3 -31.695 42.638 3.365 26 HA2 GLY 3 HA2 GLY 3 -29.585 43.594 3.182 27 HA3 GLY 3 HA3 GLY 3 -28.879 42.212 4.008 28 H SER 4 H SER 4 -27.255 42.887 2.303 29 HA SER 4 HA SER 4 -27.322 40.983 0.071 30 HB2 SER 4 HB2 SER 4 -28.405 43.144 -0.759 31 HB3 SER 4 HB3 SER 4 -26.823 43.911 -0.577 32 HG SER 4 HG SER 4 -27.191 43.060 -2.712 33 H HIS 5 H HIS 5 -25.924 40.662 2.228 34 HA HIS 5 HA HIS 5 -23.208 41.881 1.954 35 HB2 HIS 5 HB2 HIS 5 -24.755 41.102 4.449 36 HB3 HIS 5 HB3 HIS 5 -23.149 41.828 4.410 37 HD2 HIS 5 HD2 HIS 5 -22.944 44.428 3.694 38 HE1 HIS 5 HE1 HIS 5 -27.101 45.354 3.960 39 HE2 HIS 5 HE2 HIS 5 -24.762 46.339 3.747 40 H HIS 6 H HIS 6 -23.878 39.457 0.635 41 HA HIS 6 HA HIS 6 -22.079 37.478 1.987 42 HB2 HIS 6 HB2 HIS 6 -24.440 36.804 2.184 43 HB3 HIS 6 HB3 HIS 6 -24.639 36.939 0.436 44 HD2 HIS 6 HD2 HIS 6 -24.603 34.627 -0.691 45 HE1 HIS 6 HE1 HIS 6 -21.780 32.602 1.785 46 HE2 HIS 6 HE2 HIS 6 -23.310 32.373 -0.239 47 H HIS 7 H HIS 7 -20.935 36.043 0.583 48 HA HIS 7 HA HIS 7 -20.697 36.742 -2.281 49 HB2 HIS 7 HB2 HIS 7 -19.069 38.218 -1.195 50 HB3 HIS 7 HB3 HIS 7 -18.361 36.847 -0.336 51 HD2 HIS 7 HD2 HIS 7 -16.217 35.954 -1.452 52 HE1 HIS 7 HE1 HIS 7 -17.046 36.842 -5.541 53 HE2 HIS 7 HE2 HIS 7 -15.336 35.851 -3.935 54 H HIS 8 H HIS 8 -19.913 35.114 -3.570 55 HA HIS 8 HA HIS 8 -18.937 32.578 -2.459 56 HB2 HIS 8 HB2 HIS 8 -21.401 32.331 -2.340 57 HB3 HIS 8 HB3 HIS 8 -21.533 32.742 -4.049 58 HD2 HIS 8 HD2 HIS 8 -19.921 29.985 -1.793 59 HE1 HIS 8 HE1 HIS 8 -20.760 28.208 -5.581 60 HE2 HIS 8 HE2 HIS 8 -19.893 27.772 -3.226 61 H HIS 9 H HIS 9 -17.836 31.306 -3.980 62 HA HIS 9 HA HIS 9 -17.670 32.144 -6.799 63 HB2 HIS 9 HB2 HIS 9 -16.016 33.582 -5.656 64 HB3 HIS 9 HB3 HIS 9 -15.249 32.157 -4.955 65 HD2 HIS 9 HD2 HIS 9 -13.042 31.683 -6.201 66 HE1 HIS 9 HE1 HIS 9 -14.220 32.557 -10.207 67 HE2 HIS 9 HE2 HIS 9 -12.304 31.759 -8.731 68 H HIS 10 H HIS 10 -16.761 30.608 -8.166 69 HA HIS 10 HA HIS 10 -16.627 28.510 -9.024 70 HB2 HIS 10 HB2 HIS 10 -14.376 28.988 -8.017 71 HB3 HIS 10 HB3 HIS 10 -14.834 28.005 -6.627 72 HD2 HIS 10 HD2 HIS 10 -14.894 27.469 -10.528 73 HE1 HIS 10 HE1 HIS 10 -13.589 23.836 -8.713 74 HE2 HIS 10 HE2 HIS 10 -14.149 24.975 -10.927 75 H GLY 11 H GLY 11 -16.249 25.913 -7.537 76 HA2 GLY 11 HA2 GLY 11 -18.389 25.376 -5.787 77 HA3 GLY 11 HA3 GLY 11 -19.021 25.168 -7.419 78 H SER 12 H SER 12 -19.034 23.079 -5.665 79 HA SER 12 HA SER 12 -16.772 21.376 -5.662 80 HB2 SER 12 HB2 SER 12 -19.709 20.626 -5.423 81 HB3 SER 12 HB3 SER 12 -18.327 19.623 -4.939 82 HG SER 12 HG SER 12 -19.223 20.800 -3.160 83 H GLY 58 H GLY 58 -16.066 19.721 -6.914 84 HA2 GLY 58 HA2 GLY 58 -17.601 18.636 -9.183 85 HA3 GLY 58 HA3 GLY 58 -16.246 19.678 -9.629 86 H ALA 59 H ALA 59 -16.122 17.506 -6.805 87 HA ALA 59 HA ALA 59 -13.712 16.252 -7.857 88 HB1 ALA 59 HB1 ALA 59 -15.221 15.854 -5.244 89 HB2 ALA 59 HB2 ALA 59 -13.607 15.219 -5.629 90 HB3 ALA 59 HB3 ALA 59 -13.867 16.969 -5.520 91 H LEU 60 H LEU 60 -14.135 14.861 -9.533 92 HA LEU 60 HA LEU 60 -16.310 12.938 -9.448 93 HB2 LEU 60 HB2 LEU 60 -15.687 12.307 -11.615 94 HB3 LEU 60 HB3 LEU 60 -15.668 14.050 -11.439 95 HG LEU 60 HG LEU 60 -13.060 13.778 -11.169 96 HD11 LEU 60 HD11 LEU 60 -13.775 11.176 -12.602 97 HD12 LEU 60 HD12 LEU 60 -12.154 11.896 -12.528 98 HD13 LEU 60 HD13 LEU 60 -12.918 11.305 -11.055 99 HD21 LEU 60 HD21 LEU 60 -14.220 14.863 -13.030 100 HD22 LEU 60 HD22 LEU 60 -12.854 13.905 -13.628 101 HD23 LEU 60 HD23 LEU 60 -14.518 13.285 -13.789 102 H ALA 61 H ALA 61 -13.238 12.827 -8.077 103 HA ALA 61 HA ALA 61 -12.519 10.076 -8.374 104 HB1 ALA 61 HB1 ALA 61 -11.921 12.026 -6.108 105 HB2 ALA 61 HB2 ALA 61 -11.059 10.510 -6.431 106 HB3 ALA 61 HB3 ALA 61 -10.958 11.844 -7.589 107 H ALA 62 H ALA 62 -12.807 8.286 -7.061 108 HA ALA 62 HA ALA 62 -14.984 8.427 -5.073 109 HB1 ALA 62 HB1 ALA 62 -13.770 5.974 -6.385 110 HB2 ALA 62 HB2 ALA 62 -15.200 6.011 -5.344 111 HB3 ALA 62 HB3 ALA 62 -15.246 6.805 -6.932 112 H LEU 63 H LEU 63 -14.917 7.755 -3.042 113 HA LEU 63 HA LEU 63 -12.350 6.920 -1.838 114 HB2 LEU 63 HB2 LEU 63 -12.676 8.545 0.001 115 HB3 LEU 63 HB3 LEU 63 -12.218 9.267 -1.525 116 HG LEU 63 HG LEU 63 -15.173 9.161 -0.974 117 HD11 LEU 63 HD11 LEU 63 -13.310 11.006 0.566 118 HD12 LEU 63 HD12 LEU 63 -15.081 11.144 0.488 119 HD13 LEU 63 HD13 LEU 63 -14.349 9.723 1.245 120 HD21 LEU 63 HD21 LEU 63 -14.220 10.314 -2.988 121 HD22 LEU 63 HD22 LEU 63 -15.102 11.418 -1.926 122 HD23 LEU 63 HD23 LEU 63 -13.326 11.404 -1.910 123 H HIS 64 H HIS 64 -12.476 5.933 0.157 124 HA HIS 64 HA HIS 64 -14.744 4.184 0.625 125 HB2 HIS 64 HB2 HIS 64 -12.222 4.843 2.165 126 HB3 HIS 64 HB3 HIS 64 -13.345 3.585 2.665 127 HD2 HIS 64 HD2 HIS 64 -10.210 4.025 0.804 128 HE1 HIS 64 HE1 HIS 64 -11.755 0.312 -0.588 129 HE2 HIS 64 HE2 HIS 64 -9.702 1.802 -0.513 130 H ALA 65 H ALA 65 -16.260 4.233 2.295 131 HA ALA 65 HA ALA 65 -16.664 6.892 3.578 132 HB1 ALA 65 HB1 ALA 65 -18.616 4.646 2.946 133 HB2 ALA 65 HB2 ALA 65 -19.023 6.263 3.558 134 HB3 ALA 65 HB3 ALA 65 -18.317 6.086 1.942 135 H GLU 66 H GLU 66 -15.767 3.710 4.569 136 HA GLU 66 HA GLU 66 -16.572 4.243 7.399 137 HB2 GLU 66 HB2 GLU 66 -17.091 1.691 5.818 138 HB3 GLU 66 HB3 GLU 66 -17.283 1.862 7.564 139 HG2 GLU 66 HG2 GLU 66 -18.979 3.663 7.180 140 HG3 GLU 66 HG3 GLU 66 -18.870 3.362 5.443 141 H GLY 67 H GLY 67 -15.490 2.961 9.000 142 HA2 GLY 67 HA2 GLY 67 -13.715 1.871 9.993 143 HA3 GLY 67 HA3 GLY 67 -13.305 1.216 8.413 144 HA PRO 68 HA PRO 68 -9.840 4.038 9.888 145 HB2 PRO 68 HB2 PRO 68 -7.806 2.462 8.812 146 HB3 PRO 68 HB3 PRO 68 -8.473 2.296 10.470 147 HG2 PRO 68 HG2 PRO 68 -9.195 0.735 7.975 148 HG3 PRO 68 HG3 PRO 68 -8.860 0.106 9.621 149 HD2 PRO 68 HD2 PRO 68 -11.380 0.432 8.764 150 HD3 PRO 68 HD3 PRO 68 -10.950 0.889 10.440 151 H LEU 69 H LEU 69 -10.682 2.638 6.795 152 HA LEU 69 HA LEU 69 -9.053 4.489 5.202 153 HB2 LEU 69 HB2 LEU 69 -10.594 1.983 4.825 154 HB3 LEU 69 HB3 LEU 69 -10.749 3.108 3.489 155 HG LEU 69 HG LEU 69 -8.394 3.112 3.056 156 HD11 LEU 69 HD11 LEU 69 -8.081 1.427 5.577 157 HD12 LEU 69 HD12 LEU 69 -6.813 1.683 4.361 158 HD13 LEU 69 HD13 LEU 69 -7.413 3.053 5.286 159 HD21 LEU 69 HD21 LEU 69 -9.706 1.151 2.230 160 HD22 LEU 69 HD22 LEU 69 -8.006 0.744 2.527 161 HD23 LEU 69 HD23 LEU 69 -9.257 0.252 3.687 162 H ALA 70 H ALA 70 -12.001 4.949 6.806 163 HA ALA 70 HA ALA 70 -13.624 6.182 4.900 164 HB1 ALA 70 HB1 ALA 70 -13.212 6.965 7.814 165 HB2 ALA 70 HB2 ALA 70 -14.598 7.420 6.800 166 HB3 ALA 70 HB3 ALA 70 -14.322 5.719 7.208 167 H GLY 71 H GLY 71 -13.520 7.941 3.678 168 HA2 GLY 71 HA2 GLY 71 -13.089 10.215 3.154 169 HA3 GLY 71 HA3 GLY 71 -11.852 10.283 4.412 170 H LEU 72 H LEU 72 -11.015 7.498 2.907 171 HA LEU 72 HA LEU 72 -8.938 8.974 1.371 172 HB2 LEU 72 HB2 LEU 72 -8.935 6.142 2.418 173 HB3 LEU 72 HB3 LEU 72 -7.562 7.066 1.818 174 HG LEU 72 HG LEU 72 -9.021 7.497 4.439 175 HD11 LEU 72 HD11 LEU 72 -6.136 6.738 3.804 176 HD12 LEU 72 HD12 LEU 72 -6.912 6.798 5.404 177 HD13 LEU 72 HD13 LEU 72 -7.407 5.578 4.214 178 HD21 LEU 72 HD21 LEU 72 -8.346 9.707 3.579 179 HD22 LEU 72 HD22 LEU 72 -7.316 9.214 4.926 180 HD23 LEU 72 HD23 LEU 72 -6.708 9.099 3.263 181 HA PRO 73 HA PRO 73 -10.262 7.570 -2.631 182 HB2 PRO 73 HB2 PRO 73 -7.923 6.970 -3.930 183 HB3 PRO 73 HB3 PRO 73 -8.454 8.635 -3.573 184 HG2 PRO 73 HG2 PRO 73 -6.563 6.889 -1.956 185 HG3 PRO 73 HG3 PRO 73 -6.289 8.564 -2.490 186 HD2 PRO 73 HD2 PRO 73 -7.148 8.053 -0.019 187 HD3 PRO 73 HD3 PRO 73 -7.889 9.401 -0.915 188 H VAL 74 H VAL 74 -10.890 5.794 -3.728 189 HA VAL 74 HA VAL 74 -10.319 3.189 -2.510 190 HB VAL 74 HB VAL 74 -11.935 3.783 -5.013 191 HG11 VAL 74 HG11 VAL 74 -11.861 1.394 -3.114 192 HG12 VAL 74 HG12 VAL 74 -13.047 1.622 -4.421 193 HG13 VAL 74 HG13 VAL 74 -11.346 1.395 -4.821 194 HG21 VAL 74 HG21 VAL 74 -12.916 4.973 -3.098 195 HG22 VAL 74 HG22 VAL 74 -13.909 3.579 -3.495 196 HG23 VAL 74 HG23 VAL 74 -12.810 3.510 -2.099 197 H THR 75 H THR 75 -9.102 4.983 -5.294 198 HA THR 75 HA THR 75 -7.258 2.738 -5.964 199 HB THR 75 HB THR 75 -7.785 2.737 -8.230 200 HG1 THR 75 HG1 THR 75 -9.212 4.431 -9.094 201 HG21 THR 75 HG21 THR 75 -10.498 3.373 -7.004 202 HG22 THR 75 HG22 THR 75 -10.194 2.513 -8.529 203 HG23 THR 75 HG23 THR 75 -9.709 1.783 -6.987 204 H ARG 76 H ARG 76 -5.552 3.369 -7.538 205 HA ARG 76 HA ARG 76 -4.091 5.697 -6.594 206 HB2 ARG 76 HB2 ARG 76 -3.628 3.902 -9.033 207 HB3 ARG 76 HB3 ARG 76 -2.461 5.056 -8.366 208 HG2 ARG 76 HG2 ARG 76 -2.404 3.815 -6.237 209 HG3 ARG 76 HG3 ARG 76 -3.597 2.661 -6.849 210 HD2 ARG 76 HD2 ARG 76 -2.033 2.023 -8.669 211 HD3 ARG 76 HD3 ARG 76 -0.787 3.051 -7.926 212 HE ARG 76 HE ARG 76 -1.643 1.408 -5.840 213 HH11 ARG 76 HH11 ARG 76 -0.317 0.653 -9.001 214 HH12 ARG 76 HH12 ARG 76 0.275 -0.893 -8.466 215 HH21 ARG 76 HH21 ARG 76 -0.857 -0.467 -5.219 216 HH22 ARG 76 HH22 ARG 76 -0.063 -1.548 -6.351 217 H SER 77 H SER 77 -6.170 5.129 -9.401 218 HA SER 77 HA SER 77 -5.653 7.679 -10.677 219 HB2 SER 77 HB2 SER 77 -6.650 5.657 -11.797 220 HB3 SER 77 HB3 SER 77 -8.158 5.980 -10.915 221 HG SER 77 HG SER 77 -8.316 7.042 -12.867 222 H ASP 78 H ASP 78 -8.199 6.566 -8.341 223 HA ASP 78 HA ASP 78 -9.486 9.136 -8.170 224 HB2 ASP 78 HB2 ASP 78 -9.351 6.861 -6.152 225 HB3 ASP 78 HB3 ASP 78 -10.376 8.290 -5.992 226 H ALA 79 H ALA 79 -6.732 7.758 -6.313 227 HA ALA 79 HA ALA 79 -6.364 9.975 -4.563 228 HB1 ALA 79 HB1 ALA 79 -4.242 8.124 -5.756 229 HB2 ALA 79 HB2 ALA 79 -4.156 9.023 -4.229 230 HB3 ALA 79 HB3 ALA 79 -5.298 7.679 -4.409 231 H ARG 80 H ARG 80 -4.884 9.376 -7.787 232 HA ARG 80 HA ARG 80 -3.501 11.867 -8.132 233 HB2 ARG 80 HB2 ARG 80 -3.067 9.993 -9.510 234 HB3 ARG 80 HB3 ARG 80 -4.727 9.818 -10.017 235 HG2 ARG 80 HG2 ARG 80 -3.245 12.354 -10.709 236 HG3 ARG 80 HG3 ARG 80 -2.868 10.878 -11.584 237 HD2 ARG 80 HD2 ARG 80 -5.637 12.145 -11.429 238 HD3 ARG 80 HD3 ARG 80 -4.532 12.281 -12.776 239 HE ARG 80 HE ARG 80 -6.174 9.948 -12.040 240 HH11 ARG 80 HH11 ARG 80 -3.493 10.982 -14.079 241 HH12 ARG 80 HH12 ARG 80 -3.665 9.607 -15.129 242 HH21 ARG 80 HH21 ARG 80 -6.302 8.221 -13.403 243 HH22 ARG 80 HH22 ARG 80 -5.217 8.098 -14.764 244 H VAL 81 H VAL 81 -6.934 11.101 -8.908 245 HA VAL 81 HA VAL 81 -7.425 13.822 -9.831 246 HB VAL 81 HB VAL 81 -9.333 11.577 -9.108 247 HG11 VAL 81 HG11 VAL 81 -9.945 14.245 -10.477 248 HG12 VAL 81 HG12 VAL 81 -11.066 12.879 -10.297 249 HG13 VAL 81 HG13 VAL 81 -10.533 13.765 -8.873 250 HG21 VAL 81 HG21 VAL 81 -7.971 11.166 -11.134 251 HG22 VAL 81 HG22 VAL 81 -9.658 11.454 -11.555 252 HG23 VAL 81 HG23 VAL 81 -8.460 12.742 -11.793 253 H LEU 82 H LEU 82 -7.889 12.268 -6.594 254 HA LEU 82 HA LEU 82 -9.134 14.572 -5.402 255 HB2 LEU 82 HB2 LEU 82 -7.416 12.327 -4.267 256 HB3 LEU 82 HB3 LEU 82 -8.050 13.611 -3.257 257 HG LEU 82 HG LEU 82 -9.749 11.636 -4.822 258 HD11 LEU 82 HD11 LEU 82 -9.333 11.951 -1.824 259 HD12 LEU 82 HD12 LEU 82 -10.261 10.681 -2.657 260 HD13 LEU 82 HD13 LEU 82 -8.492 10.758 -2.826 261 HD21 LEU 82 HD21 LEU 82 -10.982 13.755 -4.593 262 HD22 LEU 82 HD22 LEU 82 -11.636 12.552 -3.482 263 HD23 LEU 82 HD23 LEU 82 -10.565 13.828 -2.866 264 H ILE 83 H ILE 83 -5.642 13.725 -5.704 265 HA ILE 83 HA ILE 83 -4.714 16.172 -4.493 266 HB ILE 83 HB ILE 83 -3.360 14.294 -6.466 267 HG12 ILE 83 HG12 ILE 83 -2.871 14.634 -3.468 268 HG13 ILE 83 HG13 ILE 83 -4.021 13.461 -4.097 269 HG21 ILE 83 HG21 ILE 83 -2.253 16.670 -4.883 270 HG22 ILE 83 HG22 ILE 83 -1.228 15.452 -5.644 271 HG23 ILE 83 HG23 ILE 83 -2.249 16.475 -6.651 272 HD11 ILE 83 HD11 ILE 83 -1.032 13.453 -4.638 273 HD12 ILE 83 HD12 ILE 83 -1.959 12.323 -3.643 274 HD13 ILE 83 HD13 ILE 83 -2.219 12.361 -5.396 275 H PHE 84 H PHE 84 -5.445 15.376 -7.945 276 HA PHE 84 HA PHE 84 -4.709 17.917 -8.979 277 HB2 PHE 84 HB2 PHE 84 -5.206 15.935 -10.404 278 HB3 PHE 84 HB3 PHE 84 -6.885 16.003 -9.903 279 HD1 PHE 84 HD1 PHE 84 -4.576 18.793 -10.976 280 HD2 PHE 84 HD2 PHE 84 -8.207 16.603 -11.747 281 HE1 PHE 84 HE1 PHE 84 -5.078 20.313 -12.852 282 HE2 PHE 84 HE2 PHE 84 -8.728 18.154 -13.614 283 HZ PHE 84 HZ PHE 84 -7.147 19.999 -14.182 284 H ASN 85 H ASN 85 -7.923 16.823 -7.767 285 HA ASN 85 HA ASN 85 -9.262 19.277 -8.292 286 HB2 ASN 85 HB2 ASN 85 -10.399 17.107 -7.932 287 HB3 ASN 85 HB3 ASN 85 -9.848 17.077 -6.253 288 HD21 ASN 85 HD22 ASN 85 -11.910 18.904 -8.570 289 HD22 ASN 85 HD21 ASN 85 -12.906 19.613 -7.310 290 H GLU 86 H GLU 86 -7.511 18.131 -5.354 291 HA GLU 86 HA GLU 86 -7.949 20.483 -3.775 292 HB2 GLU 86 HB2 GLU 86 -7.065 18.521 -2.726 293 HB3 GLU 86 HB3 GLU 86 -5.653 18.483 -3.795 294 HG2 GLU 86 HG2 GLU 86 -4.715 20.451 -2.818 295 HG3 GLU 86 HG3 GLU 86 -6.240 20.887 -2.052 296 H TRP 87 H TRP 87 -5.073 19.738 -5.952 297 HA TRP 87 HA TRP 87 -3.929 22.274 -5.731 298 HB2 TRP 87 HB2 TRP 87 -2.800 20.401 -6.784 299 HB3 TRP 87 HB3 TRP 87 -3.994 20.360 -8.083 300 HD1 TRP 87 HD1 TRP 87 -1.111 22.517 -6.765 301 HE1 TRP 87 HE1 TRP 87 -0.351 24.175 -8.584 302 HE3 TRP 87 HE3 TRP 87 -4.676 21.527 -10.296 303 HZ2 TRP 87 HZ2 TRP 87 -1.158 24.929 -11.242 304 HZ3 TRP 87 HZ3 TRP 87 -4.705 22.787 -12.438 305 HH2 TRP 87 HH2 TRP 87 -2.965 24.487 -12.916 306 H GLU 88 H GLU 88 -6.550 21.311 -8.044 307 HA GLU 88 HA GLU 88 -6.719 23.803 -9.398 308 HB2 GLU 88 HB2 GLU 88 -8.489 21.420 -8.956 309 HB3 GLU 88 HB3 GLU 88 -9.284 22.886 -9.466 310 HG2 GLU 88 HG2 GLU 88 -6.881 21.811 -10.973 311 HG3 GLU 88 HG3 GLU 88 -8.518 21.238 -11.277 312 H GLU 89 H GLU 89 -8.553 22.733 -6.452 313 HA GLU 89 HA GLU 89 -10.026 25.176 -6.135 314 HB2 GLU 89 HB2 GLU 89 -10.567 23.041 -5.021 315 HB3 GLU 89 HB3 GLU 89 -9.077 23.132 -4.076 316 HG2 GLU 89 HG2 GLU 89 -9.896 25.214 -2.991 317 HG3 GLU 89 HG3 GLU 89 -11.381 25.120 -3.945 318 H ARG 90 H ARG 90 -6.928 24.112 -4.704 319 HA ARG 90 HA ARG 90 -6.394 26.475 -3.146 320 HB2 ARG 90 HB2 ARG 90 -4.436 24.554 -4.441 321 HB3 ARG 90 HB3 ARG 90 -4.054 25.659 -3.117 322 HG2 ARG 90 HG2 ARG 90 -6.221 23.581 -2.762 323 HG3 ARG 90 HG3 ARG 90 -4.540 23.093 -2.769 324 HD2 ARG 90 HD2 ARG 90 -4.095 24.407 -0.785 325 HD3 ARG 90 HD3 ARG 90 -5.652 25.234 -0.897 326 HE ARG 90 HE ARG 90 -5.138 22.515 0.122 327 HH11 ARG 90 HH11 ARG 90 -7.674 24.735 -0.828 328 HH12 ARG 90 HH12 ARG 90 -8.936 23.541 -0.632 329 HH21 ARG 90 HH21 ARG 90 -6.791 21.059 0.430 330 HH22 ARG 90 HH22 ARG 90 -8.451 21.637 0.397 331 H LYS 91 H LYS 91 -5.202 25.525 -6.380 332 HA LYS 91 HA LYS 91 -3.796 27.914 -6.979 333 HB2 LYS 91 HB2 LYS 91 -3.554 25.788 -8.175 334 HB3 LYS 91 HB3 LYS 91 -5.129 25.990 -8.937 335 HG2 LYS 91 HG2 LYS 91 -3.032 28.153 -9.261 336 HG3 LYS 91 HG3 LYS 91 -2.819 26.632 -10.109 337 HD2 LYS 91 HD2 LYS 91 -5.014 26.876 -11.210 338 HD3 LYS 91 HD3 LYS 91 -5.253 28.442 -10.408 339 HE2 LYS 91 HE2 LYS 91 -3.175 29.305 -11.473 340 HE3 LYS 91 HE3 LYS 91 -2.925 27.741 -12.258 341 HZ1 LYS 91 HZ1 LYS 91 -5.254 29.539 -12.752 342 HZ2 LYS 91 HZ2 LYS 91 -3.997 29.318 -13.766 343 HZ3 LYS 91 HZ3 LYS 91 -5.024 28.085 -13.474 344 H LYS 92 H LYS 92 -7.288 27.235 -7.536 345 HA LYS 92 HA LYS 92 -7.833 29.793 -8.786 346 HB2 LYS 92 HB2 LYS 92 -9.596 27.841 -7.270 347 HB3 LYS 92 HB3 LYS 92 -10.216 29.307 -8.038 348 HG2 LYS 92 HG2 LYS 92 -9.536 28.573 -10.238 349 HG3 LYS 92 HG3 LYS 92 -8.639 27.214 -9.578 350 HD2 LYS 92 HD2 LYS 92 -11.072 26.625 -8.532 351 HD3 LYS 92 HD3 LYS 92 -11.610 27.537 -9.943 352 HE2 LYS 92 HE2 LYS 92 -9.703 25.147 -9.928 353 HE3 LYS 92 HE3 LYS 92 -11.426 25.044 -10.283 354 HZ1 LYS 92 HZ1 LYS 92 -9.468 26.581 -11.928 355 HZ2 LYS 92 HZ2 LYS 92 -10.024 25.084 -12.274 356 HZ3 LYS 92 HZ3 LYS 92 -11.061 26.371 -12.283 357 H SER 93 H SER 93 -7.856 28.822 -5.309 358 HA SER 93 HA SER 93 -8.573 31.503 -4.430 359 HB2 SER 93 HB2 SER 93 -7.320 29.181 -2.934 360 HB3 SER 93 HB3 SER 93 -7.891 30.689 -2.192 361 HG SER 93 HG SER 93 -9.506 29.047 -2.125 362 H ASP 94 H ASP 94 -5.448 29.903 -4.896 363 HA ASP 94 HA ASP 94 -3.865 32.342 -4.380 364 HB2 ASP 94 HB2 ASP 94 -3.741 29.746 -2.800 365 HB3 ASP 94 HB3 ASP 94 -2.412 30.896 -2.872 366 HA PRO 95 HA PRO 95 -2.768 30.089 -8.081 367 HB2 PRO 95 HB2 PRO 95 -1.252 31.958 -9.412 368 HB3 PRO 95 HB3 PRO 95 -3.016 32.108 -9.154 369 HG2 PRO 95 HG2 PRO 95 -0.796 33.243 -7.395 370 HG3 PRO 95 HG3 PRO 95 -2.156 34.148 -8.166 371 HD2 PRO 95 HD2 PRO 95 -2.355 33.313 -5.635 372 HD3 PRO 95 HD3 PRO 95 -3.755 33.036 -6.725 373 H TRP 96 H TRP 96 -0.268 30.869 -5.842 374 HA TRP 96 HA TRP 96 2.049 30.262 -7.343 375 HB2 TRP 96 HB2 TRP 96 3.191 30.324 -5.262 376 HB3 TRP 96 HB3 TRP 96 1.895 31.498 -5.136 377 HD1 TRP 96 HD1 TRP 96 -0.357 30.535 -3.778 378 HE1 TRP 96 HE1 TRP 96 -0.529 28.993 -1.722 379 HE3 TRP 96 HE3 TRP 96 4.278 28.410 -4.008 380 HZ2 TRP 96 HZ2 TRP 96 1.119 27.017 -0.409 381 HZ3 TRP 96 HZ3 TRP 96 4.942 26.653 -2.372 382 HH2 TRP 96 HH2 TRP 96 3.376 25.954 -0.575 383 H LEU 97 H LEU 97 -0.180 27.967 -5.851 384 HA LEU 97 HA LEU 97 1.670 26.185 -4.878 385 HB2 LEU 97 HB2 LEU 97 -0.745 26.360 -4.278 386 HB3 LEU 97 HB3 LEU 97 -1.161 25.584 -5.807 387 HG LEU 97 HG LEU 97 0.073 23.529 -5.065 388 HD11 LEU 97 HD11 LEU 97 0.260 25.001 -2.400 389 HD12 LEU 97 HD12 LEU 97 0.616 23.278 -2.657 390 HD13 LEU 97 HD13 LEU 97 1.638 24.509 -3.404 391 HD21 LEU 97 HD21 LEU 97 -2.341 23.795 -4.768 392 HD22 LEU 97 HD22 LEU 97 -1.629 22.805 -3.478 393 HD23 LEU 97 HD23 LEU 97 -2.056 24.503 -3.153 394 H ARG 98 H ARG 98 2.604 24.215 -5.537 395 HA ARG 98 HA ARG 98 2.595 23.548 -8.450 396 HB2 ARG 98 HB2 ARG 98 4.448 22.835 -6.147 397 HB3 ARG 98 HB3 ARG 98 4.443 21.923 -7.648 398 HG2 ARG 98 HG2 ARG 98 6.211 23.516 -7.745 399 HG3 ARG 98 HG3 ARG 98 4.993 23.929 -8.951 400 HD2 ARG 98 HD2 ARG 98 4.159 25.749 -7.565 401 HD3 ARG 98 HD3 ARG 98 5.226 25.301 -6.231 402 HE ARG 98 HE ARG 98 5.901 26.726 -8.719 403 HH11 ARG 98 HH11 ARG 98 7.322 25.084 -5.955 404 HH12 ARG 98 HH12 ARG 98 8.859 25.873 -6.174 405 HH21 ARG 98 HH21 ARG 98 7.885 27.678 -8.935 406 HH22 ARG 98 HH22 ARG 98 9.164 27.302 -7.819 407 H LEU 99 H LEU 99 2.141 21.513 -9.229 408 HA LEU 99 HA LEU 99 0.318 19.829 -7.568 409 HB2 LEU 99 HB2 LEU 99 -0.373 21.004 -9.771 410 HB3 LEU 99 HB3 LEU 99 0.662 19.858 -10.580 411 HG LEU 99 HG LEU 99 -1.934 19.271 -9.052 412 HD11 LEU 99 HD11 LEU 99 -0.982 18.937 -11.940 413 HD12 LEU 99 HD12 LEU 99 -2.521 18.342 -11.330 414 HD13 LEU 99 HD13 LEU 99 -2.202 20.086 -11.357 415 HD21 LEU 99 HD21 LEU 99 -0.499 17.468 -8.477 416 HD22 LEU 99 HD22 LEU 99 -1.703 16.974 -9.644 417 HD23 LEU 99 HD23 LEU 99 -0.021 17.254 -10.192 418 H ASP 100 H ASP 100 1.285 18.016 -6.724 419 HA ASP 100 HA ASP 100 3.241 16.473 -8.388 420 HB2 ASP 100 HB2 ASP 100 3.497 17.238 -5.459 421 HB3 ASP 100 HB3 ASP 100 4.421 15.947 -6.221 422 H MET 101 H MET 101 2.372 14.571 -8.849 423 HA MET 101 HA MET 101 1.252 12.853 -6.755 424 HB2 MET 101 HB2 MET 101 -0.867 12.434 -8.226 425 HB3 MET 101 HB3 MET 101 -0.774 13.771 -7.114 426 HG2 MET 101 HG2 MET 101 -1.810 14.643 -8.943 427 HG3 MET 101 HG3 MET 101 -0.169 15.238 -9.074 428 HE1 MET 101 HE1 MET 101 -1.644 15.851 -11.542 429 HE2 MET 101 HE2 MET 101 -2.140 14.524 -12.616 430 HE3 MET 101 HE3 MET 101 -2.900 14.701 -11.015 431 H SER 102 H SER 102 3.579 12.479 -7.832 432 HA SER 102 HA SER 102 3.550 10.256 -9.734 433 HB2 SER 102 HB2 SER 102 5.596 11.541 -9.206 434 HB3 SER 102 HB3 SER 102 5.527 10.963 -7.529 435 HG SER 102 HG SER 102 6.932 9.722 -8.967 436 H ASP 103 H ASP 103 3.842 7.998 -9.098 437 HA ASP 103 HA ASP 103 1.863 6.971 -7.389 438 HB2 ASP 103 HB2 ASP 103 4.486 5.725 -8.307 439 HB3 ASP 103 HB3 ASP 103 3.163 4.837 -7.564 440 H LYS 104 H LYS 104 5.292 7.632 -6.617 441 HA LYS 104 HA LYS 104 5.256 6.653 -3.912 442 HB2 LYS 104 HB2 LYS 104 6.965 8.808 -5.235 443 HB3 LYS 104 HB3 LYS 104 7.247 8.149 -3.618 444 HG2 LYS 104 HG2 LYS 104 7.497 5.869 -4.578 445 HG3 LYS 104 HG3 LYS 104 7.284 6.537 -6.208 446 HD2 LYS 104 HD2 LYS 104 9.287 7.968 -5.892 447 HD3 LYS 104 HD3 LYS 104 9.506 7.299 -4.260 448 HE2 LYS 104 HE2 LYS 104 9.741 5.017 -5.234 449 HE3 LYS 104 HE3 LYS 104 9.531 5.687 -6.857 450 HZ1 LYS 104 HZ1 LYS 104 11.770 6.368 -5.010 451 HZ2 LYS 104 HZ2 LYS 104 11.887 5.398 -6.316 452 HZ3 LYS 104 HZ3 LYS 104 11.578 6.987 -6.511 453 H ALA 105 H ALA 105 4.229 9.821 -5.227 454 HA ALA 105 HA ALA 105 3.816 11.050 -2.619 455 HB1 ALA 105 HB1 ALA 105 2.648 11.772 -5.324 456 HB2 ALA 105 HB2 ALA 105 2.666 12.778 -3.867 457 HB3 ALA 105 HB3 ALA 105 4.192 12.373 -4.675 458 H ILE 106 H ILE 106 1.802 9.171 -4.892 459 HA ILE 106 HA ILE 106 -0.594 9.420 -3.275 460 HB ILE 106 HB ILE 106 0.216 7.566 -5.524 461 HG12 ILE 106 HG12 ILE 106 -1.816 8.582 -6.555 462 HG13 ILE 106 HG13 ILE 106 -2.087 9.529 -5.087 463 HG21 ILE 106 HG21 ILE 106 -2.329 7.270 -3.856 464 HG22 ILE 106 HG22 ILE 106 -2.056 6.541 -5.458 465 HG23 ILE 106 HG23 ILE 106 -1.062 6.049 -4.097 466 HD11 ILE 106 HD11 ILE 106 0.353 9.715 -6.865 467 HD12 ILE 106 HD12 ILE 106 -1.048 10.806 -6.896 468 HD13 ILE 106 HD13 ILE 106 0.009 10.773 -5.471 469 H PHE 107 H PHE 107 1.881 6.813 -3.388 470 HA PHE 107 HA PHE 107 0.587 5.360 -1.281 471 HB2 PHE 107 HB2 PHE 107 3.538 5.155 -1.853 472 HB3 PHE 107 HB3 PHE 107 2.446 3.938 -1.158 473 HD1 PHE 107 HD2 PHE 107 0.134 4.296 -3.140 474 HD2 PHE 107 HD1 PHE 107 4.382 3.807 -3.671 475 HE1 PHE 107 HE2 PHE 107 -0.257 3.459 -5.398 476 HE2 PHE 107 HE1 PHE 107 3.979 2.856 -5.928 477 HZ PHE 107 HZ PHE 107 1.661 2.697 -6.822 478 H ARG 108 H ARG 108 3.005 7.989 -1.099 479 HA ARG 108 HA ARG 108 3.397 7.748 1.750 480 HB2 ARG 108 HB2 ARG 108 5.067 8.774 0.287 481 HB3 ARG 108 HB3 ARG 108 3.926 10.032 -0.197 482 HG2 ARG 108 HG2 ARG 108 5.555 10.883 1.412 483 HG3 ARG 108 HG3 ARG 108 3.921 10.971 2.055 484 HD2 ARG 108 HD2 ARG 108 4.434 8.774 3.318 485 HD3 ARG 108 HD3 ARG 108 6.092 8.953 2.763 486 HE ARG 108 HE ARG 108 6.424 10.692 4.272 487 HH11 ARG 108 HH11 ARG 108 2.948 10.022 4.254 488 HH12 ARG 108 HH12 ARG 108 2.710 10.920 5.729 489 HH21 ARG 108 HH21 ARG 108 5.999 11.831 6.115 490 HH22 ARG 108 HH22 ARG 108 4.378 11.932 6.736 491 H ARG 109 H ARG 109 1.083 9.706 -0.174 492 HA ARG 109 HA ARG 109 -0.037 10.983 2.224 493 HB2 ARG 109 HB2 ARG 109 -0.038 12.057 -0.026 494 HB3 ARG 109 HB3 ARG 109 -1.136 10.796 -0.616 495 HG2 ARG 109 HG2 ARG 109 -2.811 11.482 1.090 496 HG3 ARG 109 HG3 ARG 109 -1.734 12.758 1.661 497 HD2 ARG 109 HD2 ARG 109 -2.610 12.645 -1.247 498 HD3 ARG 109 HD3 ARG 109 -3.702 13.224 0.020 499 HE ARG 109 HE ARG 109 -1.047 14.519 -0.095 500 HH11 ARG 109 HH11 ARG 109 -4.491 14.806 -0.922 501 HH12 ARG 109 HH12 ARG 109 -4.328 16.568 -1.025 502 HH21 ARG 109 HH21 ARG 109 -1.100 16.822 -0.306 503 HH22 ARG 109 HH22 ARG 109 -2.652 17.555 -0.734 504 H TYR 110 H TYR 110 -0.908 8.217 0.199 505 HA TYR 110 HA TYR 110 -3.110 7.439 2.064 506 HB2 TYR 110 HB2 TYR 110 -2.971 7.063 -0.935 507 HB3 TYR 110 HB3 TYR 110 -4.316 6.700 0.129 508 HD1 TYR 110 HD1 TYR 110 -5.156 8.833 1.580 509 HD2 TYR 110 HD2 TYR 110 -3.067 9.015 -2.177 510 HE1 TYR 110 HE1 TYR 110 -6.267 11.006 1.076 511 HE2 TYR 110 HE2 TYR 110 -4.212 11.178 -2.707 512 HH TYR 110 HH TYR 110 -6.568 12.695 -0.475 513 HA PRO 111 HA PRO 111 0.210 4.307 2.068 514 HB2 PRO 111 HB2 PRO 111 -0.145 3.217 4.561 515 HB3 PRO 111 HB3 PRO 111 0.596 4.821 4.274 516 HG2 PRO 111 HG2 PRO 111 -2.301 4.208 4.961 517 HG3 PRO 111 HG3 PRO 111 -1.203 5.385 5.756 518 HD2 PRO 111 HD2 PRO 111 -2.950 6.173 3.851 519 HD3 PRO 111 HD3 PRO 111 -1.296 6.862 3.901 520 H HIS 112 H HIS 112 -3.182 3.617 2.145 521 HA HIS 112 HA HIS 112 -2.880 0.707 2.118 522 HB2 HIS 112 HB2 HIS 112 -5.266 0.667 1.975 523 HB3 HIS 112 HB3 HIS 112 -4.742 1.782 3.228 524 HD2 HIS 112 HD2 HIS 112 -7.022 1.568 0.323 525 HE1 HIS 112 HE1 HIS 112 -6.379 5.748 0.724 526 HE2 HIS 112 HE2 HIS 112 -7.819 3.993 -0.371 527 H LEU 113 H LEU 113 -2.334 3.003 -0.327 528 HA LEU 113 HA LEU 113 -3.492 1.372 -2.478 529 HB2 LEU 113 HB2 LEU 113 -2.061 4.042 -2.418 530 HB3 LEU 113 HB3 LEU 113 -2.312 3.192 -3.927 531 HG LEU 113 HG LEU 113 -4.026 4.872 -3.667 532 HD11 LEU 113 HD11 LEU 113 -5.343 2.167 -3.181 533 HD12 LEU 113 HD12 LEU 113 -6.054 3.599 -3.910 534 HD13 LEU 113 HD13 LEU 113 -4.743 2.736 -4.755 535 HD21 LEU 113 HD21 LEU 113 -3.995 4.905 -1.176 536 HD22 LEU 113 HD22 LEU 113 -5.625 4.881 -1.895 537 HD23 LEU 113 HD23 LEU 113 -4.937 3.408 -1.195 538 H ARG 114 H ARG 114 -0.278 1.505 -1.054 539 HA ARG 114 HA ARG 114 0.265 -0.888 -2.663 540 HB2 ARG 114 HB2 ARG 114 1.329 1.212 -3.775 541 HB3 ARG 114 HB3 ARG 114 2.508 1.148 -2.476 542 HG2 ARG 114 HG2 ARG 114 1.891 -0.993 -4.560 543 HG3 ARG 114 HG3 ARG 114 3.299 0.069 -4.526 544 HD2 ARG 114 HD2 ARG 114 4.051 -1.027 -2.417 545 HD3 ARG 114 HD3 ARG 114 2.644 -2.107 -2.513 546 HE ARG 114 HE ARG 114 4.357 -2.082 -4.895 547 HH11 ARG 114 HH11 ARG 114 3.783 -3.713 -1.849 548 HH12 ARG 114 HH12 ARG 114 4.571 -5.175 -2.378 549 HH21 ARG 114 HH21 ARG 114 5.325 -3.978 -5.514 550 HH22 ARG 114 HH22 ARG 114 5.425 -5.312 -4.404 Start of MODEL 9 1 H1 MET 1 H1 MET 1 10.351 34.597 -3.194 2 H2 MET 1 H2 MET 1 11.521 34.384 -4.314 3 H3 MET 1 H3 MET 1 11.712 33.758 -2.820 4 HA MET 1 HA MET 1 11.141 31.998 -4.375 5 HB2 MET 1 HB2 MET 1 8.873 32.639 -2.423 6 HB3 MET 1 HB3 MET 1 9.057 31.112 -3.280 7 HG2 MET 1 HG2 MET 1 10.994 32.236 -1.227 8 HG3 MET 1 HG3 MET 1 9.851 30.921 -1.005 9 HE1 MET 1 HE1 MET 1 11.694 29.367 -0.004 10 HE2 MET 1 HE2 MET 1 13.258 29.046 -0.783 11 HE3 MET 1 HE3 MET 1 12.884 30.678 -0.185 12 H ARG 2 H ARG 2 9.765 31.119 -5.973 13 HA ARG 2 HA ARG 2 7.493 32.712 -6.999 14 HB2 ARG 2 HB2 ARG 2 9.586 33.580 -8.106 15 HB3 ARG 2 HB3 ARG 2 9.870 31.969 -8.768 16 HG2 ARG 2 HG2 ARG 2 7.752 32.127 -10.059 17 HG3 ARG 2 HG3 ARG 2 7.380 33.667 -9.276 18 HD2 ARG 2 HD2 ARG 2 8.232 34.115 -11.481 19 HD3 ARG 2 HD3 ARG 2 9.415 34.664 -10.285 20 HE ARG 2 HE ARG 2 9.927 31.946 -11.212 21 HH11 ARG 2 HH11 ARG 2 10.425 35.282 -12.174 22 HH12 ARG 2 HH12 ARG 2 11.812 34.890 -13.153 23 HH21 ARG 2 HH21 ARG 2 11.717 31.518 -12.465 24 HH22 ARG 2 HH22 ARG 2 12.511 32.807 -13.317 25 H GLY 3 H GLY 3 5.953 31.499 -7.992 26 HA2 GLY 3 HA2 GLY 3 6.066 28.559 -7.786 27 HA3 GLY 3 HA3 GLY 3 4.682 29.554 -8.220 28 H SER 4 H SER 4 4.383 27.795 -9.790 29 HA SER 4 HA SER 4 5.717 28.419 -12.395 30 HB2 SER 4 HB2 SER 4 4.896 25.635 -11.493 31 HB3 SER 4 HB3 SER 4 5.571 26.089 -13.067 32 HG SER 4 HG SER 4 7.285 25.365 -11.878 33 H HIS 5 H HIS 5 4.384 28.474 -14.194 34 HA HIS 5 HA HIS 5 1.508 28.808 -13.627 35 HB2 HIS 5 HB2 HIS 5 3.155 29.429 -16.102 36 HB3 HIS 5 HB3 HIS 5 1.456 29.832 -15.864 37 HD2 HIS 5 HD2 HIS 5 0.866 31.736 -13.985 38 HE1 HIS 5 HE1 HIS 5 4.832 33.270 -13.618 39 HE2 HIS 5 HE2 HIS 5 2.381 33.687 -13.061 40 H HIS 6 H HIS 6 0.015 27.339 -14.034 41 HA HIS 6 HA HIS 6 0.225 25.367 -16.228 42 HB2 HIS 6 HB2 HIS 6 0.183 24.672 -13.269 43 HB3 HIS 6 HB3 HIS 6 -0.454 23.571 -14.476 44 HD2 HIS 6 HD2 HIS 6 2.758 24.542 -12.831 45 HE1 HIS 6 HE1 HIS 6 3.885 22.095 -16.139 46 HE2 HIS 6 HE2 HIS 6 4.706 23.187 -13.995 47 H HIS 7 H HIS 7 -1.747 24.628 -16.935 48 HA HIS 7 HA HIS 7 -4.183 24.833 -15.330 49 HB2 HIS 7 HB2 HIS 7 -4.178 27.069 -16.304 50 HB3 HIS 7 HB3 HIS 7 -3.910 26.406 -17.916 51 HD2 HIS 7 HD2 HIS 7 -6.145 27.190 -19.035 52 HE1 HIS 7 HE1 HIS 7 -8.919 25.253 -16.440 53 HE2 HIS 7 HE2 HIS 7 -8.670 26.562 -18.607 54 H HIS 8 H HIS 8 -5.017 22.857 -15.572 55 HA HIS 8 HA HIS 8 -4.839 21.434 -18.209 56 HB2 HIS 8 HB2 HIS 8 -4.101 20.331 -15.473 57 HB3 HIS 8 HB3 HIS 8 -4.123 19.415 -16.976 58 HD2 HIS 8 HD2 HIS 8 -1.870 21.572 -14.901 59 HE1 HIS 8 HE1 HIS 8 0.145 21.148 -18.638 60 HE2 HIS 8 HE2 HIS 8 0.385 21.939 -16.234 61 H HIS 9 H HIS 9 -7.155 22.609 -16.278 62 HA HIS 9 HA HIS 9 -8.608 20.331 -15.363 63 HB2 HIS 9 HB2 HIS 9 -8.908 22.623 -14.495 64 HB3 HIS 9 HB3 HIS 9 -9.676 23.091 -16.018 65 HD2 HIS 9 HD2 HIS 9 -10.258 20.807 -12.931 66 HE1 HIS 9 HE1 HIS 9 -14.020 21.198 -14.905 67 HE2 HIS 9 HE2 HIS 9 -12.838 20.282 -12.841 68 H HIS 10 H HIS 10 -9.861 18.885 -16.302 69 HA HIS 10 HA HIS 10 -11.372 19.357 -18.761 70 HB2 HIS 10 HB2 HIS 10 -9.037 18.863 -19.553 71 HB3 HIS 10 HB3 HIS 10 -9.101 17.323 -18.700 72 HD2 HIS 10 HD2 HIS 10 -9.056 15.675 -20.726 73 HE1 HIS 10 HE1 HIS 10 -12.390 17.173 -22.928 74 HE2 HIS 10 HE2 HIS 10 -10.657 15.308 -22.786 75 H GLY 11 H GLY 11 -12.767 17.567 -19.295 76 HA2 GLY 11 HA2 GLY 11 -14.116 15.742 -18.920 77 HA3 GLY 11 HA3 GLY 11 -13.035 15.208 -17.640 78 H SER 12 H SER 12 -15.673 14.770 -17.376 79 HA SER 12 HA SER 12 -16.393 16.261 -14.956 80 HB2 SER 12 HB2 SER 12 -18.659 16.825 -15.743 81 HB3 SER 12 HB3 SER 12 -17.404 17.682 -16.648 82 HG SER 12 HG SER 12 -19.020 16.817 -18.042 83 H GLY 58 H GLY 58 -18.012 15.274 -13.694 84 HA2 GLY 58 HA2 GLY 58 -19.404 13.632 -12.888 85 HA3 GLY 58 HA3 GLY 58 -19.338 12.794 -14.427 86 H ALA 59 H ALA 59 -18.937 12.188 -11.376 87 HA ALA 59 HA ALA 59 -17.778 10.780 -10.038 88 HB1 ALA 59 HB1 ALA 59 -17.712 9.167 -12.610 89 HB2 ALA 59 HB2 ALA 59 -17.642 8.527 -10.953 90 HB3 ALA 59 HB3 ALA 59 -19.107 9.343 -11.524 91 H LEU 60 H LEU 60 -16.014 12.766 -10.720 92 HA LEU 60 HA LEU 60 -13.610 12.039 -11.943 93 HB2 LEU 60 HB2 LEU 60 -14.594 14.242 -10.192 94 HB3 LEU 60 HB3 LEU 60 -12.881 13.943 -10.032 95 HG LEU 60 HG LEU 60 -12.616 14.108 -12.514 96 HD11 LEU 60 HD11 LEU 60 -15.501 15.097 -12.420 97 HD12 LEU 60 HD12 LEU 60 -14.402 15.218 -13.815 98 HD13 LEU 60 HD13 LEU 60 -14.918 13.628 -13.242 99 HD21 LEU 60 HD21 LEU 60 -12.154 16.024 -11.027 100 HD22 LEU 60 HD22 LEU 60 -12.814 16.568 -12.577 101 HD23 LEU 60 HD23 LEU 60 -13.855 16.531 -11.134 102 H ALA 61 H ALA 61 -14.371 11.741 -8.455 103 HA ALA 61 HA ALA 61 -12.316 9.660 -8.198 104 HB1 ALA 61 HB1 ALA 61 -12.229 12.201 -6.508 105 HB2 ALA 61 HB2 ALA 61 -11.237 10.747 -6.263 106 HB3 ALA 61 HB3 ALA 61 -11.032 11.718 -7.730 107 H ALA 62 H ALA 62 -12.691 8.231 -6.542 108 HA ALA 62 HA ALA 62 -15.073 8.678 -4.833 109 HB1 ALA 62 HB1 ALA 62 -13.965 6.053 -5.927 110 HB2 ALA 62 HB2 ALA 62 -15.434 6.234 -4.953 111 HB3 ALA 62 HB3 ALA 62 -15.369 6.928 -6.584 112 H LEU 63 H LEU 63 -15.226 7.724 -2.790 113 HA LEU 63 HA LEU 63 -12.625 7.345 -1.375 114 HB2 LEU 63 HB2 LEU 63 -15.088 8.821 -0.375 115 HB3 LEU 63 HB3 LEU 63 -13.619 8.533 0.547 116 HG LEU 63 HG LEU 63 -13.822 10.284 -1.945 117 HD11 LEU 63 HD11 LEU 63 -13.467 11.009 0.994 118 HD12 LEU 63 HD12 LEU 63 -13.498 12.141 -0.378 119 HD13 LEU 63 HD13 LEU 63 -14.955 11.225 0.042 120 HD21 LEU 63 HD21 LEU 63 -11.569 9.347 -1.757 121 HD22 LEU 63 HD22 LEU 63 -11.549 11.049 -1.261 122 HD23 LEU 63 HD23 LEU 63 -11.504 9.773 -0.034 123 H HIS 64 H HIS 64 -12.575 5.926 0.323 124 HA HIS 64 HA HIS 64 -14.654 3.884 0.688 125 HB2 HIS 64 HB2 HIS 64 -12.147 4.667 2.189 126 HB3 HIS 64 HB3 HIS 64 -13.197 3.351 2.716 127 HD2 HIS 64 HD2 HIS 64 -10.114 3.876 0.863 128 HE1 HIS 64 HE1 HIS 64 -11.617 0.195 -0.660 129 HE2 HIS 64 HE2 HIS 64 -9.574 1.695 -0.522 130 H ALA 65 H ALA 65 -16.242 3.845 2.268 131 HA ALA 65 HA ALA 65 -16.789 6.439 3.601 132 HB1 ALA 65 HB1 ALA 65 -18.593 4.076 2.964 133 HB2 ALA 65 HB2 ALA 65 -19.104 5.663 3.575 134 HB3 ALA 65 HB3 ALA 65 -18.383 5.533 1.961 135 H GLU 66 H GLU 66 -15.788 3.265 4.580 136 HA GLU 66 HA GLU 66 -16.574 3.777 7.420 137 HB2 GLU 66 HB2 GLU 66 -17.085 1.230 5.829 138 HB3 GLU 66 HB3 GLU 66 -17.266 1.390 7.578 139 HG2 GLU 66 HG2 GLU 66 -18.980 3.180 7.215 140 HG3 GLU 66 HG3 GLU 66 -18.881 2.889 5.474 141 H GLY 67 H GLY 67 -15.476 2.463 8.998 142 HA2 GLY 67 HA2 GLY 67 -13.684 1.367 9.958 143 HA3 GLY 67 HA3 GLY 67 -13.263 0.768 8.359 144 HA PRO 68 HA PRO 68 -9.853 3.597 9.944 145 HB2 PRO 68 HB2 PRO 68 -7.789 2.107 8.804 146 HB3 PRO 68 HB3 PRO 68 -8.450 1.864 10.454 147 HG2 PRO 68 HG2 PRO 68 -9.141 0.385 7.901 148 HG3 PRO 68 HG3 PRO 68 -8.798 -0.298 9.525 149 HD2 PRO 68 HD2 PRO 68 -11.322 0.013 8.669 150 HD3 PRO 68 HD3 PRO 68 -10.905 0.415 10.363 151 H LEU 69 H LEU 69 -10.646 2.317 6.791 152 HA LEU 69 HA LEU 69 -9.044 4.253 5.272 153 HB2 LEU 69 HB2 LEU 69 -10.590 1.755 4.807 154 HB3 LEU 69 HB3 LEU 69 -10.692 2.919 3.500 155 HG LEU 69 HG LEU 69 -8.343 2.897 3.112 156 HD11 LEU 69 HD11 LEU 69 -8.070 1.159 5.601 157 HD12 LEU 69 HD12 LEU 69 -6.784 1.448 4.410 158 HD13 LEU 69 HD13 LEU 69 -7.403 2.794 5.363 159 HD21 LEU 69 HD21 LEU 69 -9.662 0.959 2.238 160 HD22 LEU 69 HD22 LEU 69 -7.967 0.535 2.548 161 HD23 LEU 69 HD23 LEU 69 -9.234 0.033 3.685 162 H ALA 70 H ALA 70 -12.017 4.586 6.878 163 HA ALA 70 HA ALA 70 -13.662 5.849 5.015 164 HB1 ALA 70 HB1 ALA 70 -13.283 6.527 7.957 165 HB2 ALA 70 HB2 ALA 70 -14.675 6.987 6.953 166 HB3 ALA 70 HB3 ALA 70 -14.359 5.279 7.296 167 H GLY 71 H GLY 71 -13.564 7.637 3.835 168 HA2 GLY 71 HA2 GLY 71 -13.186 9.926 3.374 169 HA3 GLY 71 HA3 GLY 71 -12.013 10.013 4.700 170 H LEU 72 H LEU 72 -11.085 7.303 3.021 171 HA LEU 72 HA LEU 72 -9.008 8.892 1.589 172 HB2 LEU 72 HB2 LEU 72 -8.999 6.013 2.521 173 HB3 LEU 72 HB3 LEU 72 -7.628 6.930 1.913 174 HG LEU 72 HG LEU 72 -9.016 7.277 4.580 175 HD11 LEU 72 HD11 LEU 72 -6.135 6.619 3.838 176 HD12 LEU 72 HD12 LEU 72 -6.846 6.648 5.468 177 HD13 LEU 72 HD13 LEU 72 -7.360 5.423 4.293 178 HD21 LEU 72 HD21 LEU 72 -8.464 9.531 3.830 179 HD22 LEU 72 HD22 LEU 72 -7.314 9.022 5.064 180 HD23 LEU 72 HD23 LEU 72 -6.828 9.011 3.356 181 HA PRO 73 HA PRO 73 -10.183 7.596 -2.539 182 HB2 PRO 73 HB2 PRO 73 -7.770 6.896 -3.665 183 HB3 PRO 73 HB3 PRO 73 -8.300 8.581 -3.423 184 HG2 PRO 73 HG2 PRO 73 -6.528 6.883 -1.630 185 HG3 PRO 73 HG3 PRO 73 -6.222 8.544 -2.206 186 HD2 PRO 73 HD2 PRO 73 -7.217 8.128 0.231 187 HD3 PRO 73 HD3 PRO 73 -7.927 9.417 -0.758 188 H VAL 74 H VAL 74 -10.913 5.824 -3.559 189 HA VAL 74 HA VAL 74 -10.367 3.201 -2.366 190 HB VAL 74 HB VAL 74 -12.044 3.847 -4.814 191 HG11 VAL 74 HG11 VAL 74 -11.925 1.384 -3.040 192 HG12 VAL 74 HG12 VAL 74 -13.111 1.680 -4.332 193 HG13 VAL 74 HG13 VAL 74 -11.406 1.482 -4.740 194 HG21 VAL 74 HG21 VAL 74 -12.956 4.975 -2.827 195 HG22 VAL 74 HG22 VAL 74 -13.971 3.606 -3.273 196 HG23 VAL 74 HG23 VAL 74 -12.849 3.459 -1.902 197 H THR 75 H THR 75 -9.447 4.945 -5.318 198 HA THR 75 HA THR 75 -7.411 2.829 -5.918 199 HB THR 75 HB THR 75 -7.942 2.900 -8.191 200 HG1 THR 75 HG1 THR 75 -9.473 4.556 -8.960 201 HG21 THR 75 HG21 THR 75 -10.676 3.398 -6.942 202 HG22 THR 75 HG22 THR 75 -10.325 2.526 -8.450 203 HG23 THR 75 HG23 THR 75 -9.815 1.845 -6.892 204 H ARG 76 H ARG 76 -5.654 3.511 -7.413 205 HA ARG 76 HA ARG 76 -4.344 5.934 -6.551 206 HB2 ARG 76 HB2 ARG 76 -3.184 3.923 -7.374 207 HB3 ARG 76 HB3 ARG 76 -3.817 4.166 -8.999 208 HG2 ARG 76 HG2 ARG 76 -2.220 6.378 -7.663 209 HG3 ARG 76 HG3 ARG 76 -1.384 4.957 -8.274 210 HD2 ARG 76 HD2 ARG 76 -2.290 5.373 -10.553 211 HD3 ARG 76 HD3 ARG 76 -3.147 6.791 -9.962 212 HE ARG 76 HE ARG 76 -1.196 8.017 -9.947 213 HH11 ARG 76 HH11 ARG 76 -0.253 4.654 -10.358 214 HH12 ARG 76 HH12 ARG 76 1.448 5.054 -10.384 215 HH21 ARG 76 HH21 ARG 76 0.992 8.446 -10.261 216 HH22 ARG 76 HH22 ARG 76 2.095 7.098 -10.504 217 H SER 77 H SER 77 -6.519 5.280 -9.288 218 HA SER 77 HA SER 77 -6.174 7.829 -10.581 219 HB2 SER 77 HB2 SER 77 -8.608 6.006 -10.568 220 HB3 SER 77 HB3 SER 77 -8.282 7.330 -11.705 221 HG SER 77 HG SER 77 -7.639 5.268 -12.548 222 H ASP 78 H ASP 78 -8.456 6.725 -7.985 223 HA ASP 78 HA ASP 78 -9.753 9.275 -7.712 224 HB2 ASP 78 HB2 ASP 78 -9.219 7.298 -5.472 225 HB3 ASP 78 HB3 ASP 78 -10.443 8.571 -5.510 226 H ALA 79 H ALA 79 -6.841 7.920 -6.059 227 HA ALA 79 HA ALA 79 -6.323 10.179 -4.418 228 HB1 ALA 79 HB1 ALA 79 -4.285 8.239 -5.615 229 HB2 ALA 79 HB2 ALA 79 -4.162 9.156 -4.091 230 HB3 ALA 79 HB3 ALA 79 -5.336 7.840 -4.249 231 H ARG 80 H ARG 80 -5.011 9.431 -7.663 232 HA ARG 80 HA ARG 80 -3.463 11.766 -8.181 233 HB2 ARG 80 HB2 ARG 80 -3.542 9.661 -9.527 234 HB3 ARG 80 HB3 ARG 80 -5.175 10.062 -10.057 235 HG2 ARG 80 HG2 ARG 80 -4.232 12.152 -11.148 236 HG3 ARG 80 HG3 ARG 80 -2.614 11.574 -10.693 237 HD2 ARG 80 HD2 ARG 80 -3.001 9.500 -12.009 238 HD3 ARG 80 HD3 ARG 80 -4.628 10.078 -12.419 239 HE ARG 80 HE ARG 80 -2.347 11.827 -13.154 240 HH11 ARG 80 HH11 ARG 80 -4.546 9.370 -14.368 241 HH12 ARG 80 HH12 ARG 80 -4.304 9.849 -16.023 242 HH21 ARG 80 HH21 ARG 80 -2.109 12.392 -15.299 243 HH22 ARG 80 HH22 ARG 80 -2.952 11.500 -16.527 244 H VAL 81 H VAL 81 -6.961 11.225 -8.867 245 HA VAL 81 HA VAL 81 -7.252 13.950 -9.822 246 HB VAL 81 HB VAL 81 -9.334 11.826 -9.278 247 HG11 VAL 81 HG11 VAL 81 -9.563 14.586 -10.579 248 HG12 VAL 81 HG12 VAL 81 -10.760 13.300 -10.776 249 HG13 VAL 81 HG13 VAL 81 -10.472 13.984 -9.172 250 HG21 VAL 81 HG21 VAL 81 -7.738 11.343 -11.155 251 HG22 VAL 81 HG22 VAL 81 -9.370 11.664 -11.740 252 HG23 VAL 81 HG23 VAL 81 -8.122 12.921 -11.868 253 H LEU 82 H LEU 82 -7.895 12.456 -6.593 254 HA LEU 82 HA LEU 82 -9.111 14.802 -5.468 255 HB2 LEU 82 HB2 LEU 82 -7.412 12.568 -4.304 256 HB3 LEU 82 HB3 LEU 82 -8.097 13.831 -3.296 257 HG LEU 82 HG LEU 82 -9.849 12.111 -5.083 258 HD11 LEU 82 HD11 LEU 82 -9.241 11.644 -2.140 259 HD12 LEU 82 HD12 LEU 82 -10.242 10.643 -3.235 260 HD13 LEU 82 HD13 LEU 82 -8.495 10.744 -3.472 261 HD21 LEU 82 HD21 LEU 82 -10.925 14.162 -4.266 262 HD22 LEU 82 HD22 LEU 82 -11.620 12.731 -3.493 263 HD23 LEU 82 HD23 LEU 82 -10.470 13.748 -2.597 264 H ILE 83 H ILE 83 -5.617 13.862 -5.640 265 HA ILE 83 HA ILE 83 -4.635 16.288 -4.452 266 HB ILE 83 HB ILE 83 -3.325 14.376 -6.422 267 HG12 ILE 83 HG12 ILE 83 -2.815 14.659 -3.425 268 HG13 ILE 83 HG13 ILE 83 -4.013 13.544 -4.065 269 HG21 ILE 83 HG21 ILE 83 -2.131 16.692 -4.818 270 HG22 ILE 83 HG22 ILE 83 -1.158 15.444 -5.600 271 HG23 ILE 83 HG23 ILE 83 -2.141 16.517 -6.587 272 HD11 ILE 83 HD11 ILE 83 -1.027 13.428 -4.606 273 HD12 ILE 83 HD12 ILE 83 -2.015 12.299 -3.665 274 HD13 ILE 83 HD13 ILE 83 -2.250 12.415 -5.416 275 H PHE 84 H PHE 84 -5.249 15.453 -7.894 276 HA PHE 84 HA PHE 84 -4.402 17.899 -9.028 277 HB2 PHE 84 HB2 PHE 84 -4.881 15.852 -10.311 278 HB3 PHE 84 HB3 PHE 84 -6.572 15.952 -9.852 279 HD1 PHE 84 HD2 PHE 84 -4.845 19.078 -10.873 280 HD2 PHE 84 HD1 PHE 84 -7.287 15.755 -12.149 281 HE1 PHE 84 HE2 PHE 84 -5.321 20.244 -12.967 282 HE2 PHE 84 HE1 PHE 84 -7.793 16.956 -14.259 283 HZ PHE 84 HZ PHE 84 -6.787 19.186 -14.687 284 H ASN 85 H ASN 85 -7.770 17.000 -7.993 285 HA ASN 85 HA ASN 85 -8.817 19.553 -8.726 286 HB2 ASN 85 HB2 ASN 85 -10.132 17.429 -8.520 287 HB3 ASN 85 HB3 ASN 85 -9.904 17.471 -6.770 288 HD21 ASN 85 HD22 ASN 85 -11.864 18.079 -5.848 289 HD22 ASN 85 HD21 ASN 85 -12.868 19.372 -6.478 290 H GLU 86 H GLU 86 -7.476 18.335 -5.638 291 HA GLU 86 HA GLU 86 -8.074 20.606 -4.010 292 HB2 GLU 86 HB2 GLU 86 -7.250 18.414 -3.154 293 HB3 GLU 86 HB3 GLU 86 -5.697 18.707 -3.924 294 HG2 GLU 86 HG2 GLU 86 -5.485 19.191 -1.599 295 HG3 GLU 86 HG3 GLU 86 -5.343 20.697 -2.493 296 H TRP 87 H TRP 87 -4.979 19.897 -5.858 297 HA TRP 87 HA TRP 87 -3.822 22.422 -5.691 298 HB2 TRP 87 HB2 TRP 87 -2.637 20.599 -6.709 299 HB3 TRP 87 HB3 TRP 87 -3.885 20.368 -7.925 300 HD1 TRP 87 HD1 TRP 87 -1.032 22.710 -7.025 301 HE1 TRP 87 HE1 TRP 87 -0.463 24.255 -8.982 302 HE3 TRP 87 HE3 TRP 87 -4.787 21.351 -10.216 303 HZ2 TRP 87 HZ2 TRP 87 -1.469 24.771 -11.643 304 HZ3 TRP 87 HZ3 TRP 87 -5.015 22.465 -12.427 305 HH2 TRP 87 HH2 TRP 87 -3.361 24.171 -13.145 306 H GLU 88 H GLU 88 -6.331 21.405 -8.116 307 HA GLU 88 HA GLU 88 -6.205 23.805 -9.583 308 HB2 GLU 88 HB2 GLU 88 -7.263 21.506 -10.117 309 HB3 GLU 88 HB3 GLU 88 -8.715 22.106 -9.333 310 HG2 GLU 88 HG2 GLU 88 -7.263 23.407 -11.684 311 HG3 GLU 88 HG3 GLU 88 -8.607 22.288 -11.849 312 H GLU 89 H GLU 89 -8.491 22.970 -6.917 313 HA GLU 89 HA GLU 89 -9.858 25.493 -6.912 314 HB2 GLU 89 HB2 GLU 89 -10.693 23.402 -5.855 315 HB3 GLU 89 HB3 GLU 89 -9.431 23.529 -4.618 316 HG2 GLU 89 HG2 GLU 89 -10.371 25.674 -3.852 317 HG3 GLU 89 HG3 GLU 89 -11.556 25.649 -5.162 318 H ARG 90 H ARG 90 -7.018 24.338 -5.015 319 HA ARG 90 HA ARG 90 -6.553 26.750 -3.517 320 HB2 ARG 90 HB2 ARG 90 -4.552 24.744 -4.646 321 HB3 ARG 90 HB3 ARG 90 -4.172 25.981 -3.454 322 HG2 ARG 90 HG2 ARG 90 -6.405 24.058 -2.826 323 HG3 ARG 90 HG3 ARG 90 -4.747 23.458 -2.851 324 HD2 ARG 90 HD2 ARG 90 -4.097 25.156 -1.168 325 HD3 ARG 90 HD3 ARG 90 -5.760 25.802 -1.174 326 HE ARG 90 HE ARG 90 -6.053 23.074 -0.643 327 HH11 ARG 90 HH11 ARG 90 -4.413 25.650 1.118 328 HH12 ARG 90 HH12 ARG 90 -4.604 24.799 2.627 329 HH21 ARG 90 HH21 ARG 90 -6.255 22.137 1.124 330 HH22 ARG 90 HH22 ARG 90 -5.664 22.790 2.660 331 H LYS 91 H LYS 91 -5.215 25.699 -6.619 332 HA LYS 91 HA LYS 91 -3.684 27.965 -7.263 333 HB2 LYS 91 HB2 LYS 91 -3.824 25.696 -8.501 334 HB3 LYS 91 HB3 LYS 91 -5.230 26.340 -9.337 335 HG2 LYS 91 HG2 LYS 91 -3.340 26.582 -10.754 336 HG3 LYS 91 HG3 LYS 91 -3.730 28.214 -10.202 337 HD2 LYS 91 HD2 LYS 91 -1.896 28.191 -8.611 338 HD3 LYS 91 HD3 LYS 91 -1.664 26.450 -8.814 339 HE2 LYS 91 HE2 LYS 91 -0.996 26.828 -11.195 340 HE3 LYS 91 HE3 LYS 91 -1.161 28.571 -10.953 341 HZ1 LYS 91 HZ1 LYS 91 0.683 26.878 -9.314 342 HZ2 LYS 91 HZ2 LYS 91 1.180 27.722 -10.644 343 HZ3 LYS 91 HZ3 LYS 91 0.591 28.520 -9.333 344 H LYS 92 H LYS 92 -7.176 27.486 -7.985 345 HA LYS 92 HA LYS 92 -7.547 30.116 -9.144 346 HB2 LYS 92 HB2 LYS 92 -9.461 28.148 -7.827 347 HB3 LYS 92 HB3 LYS 92 -9.995 29.691 -8.476 348 HG2 LYS 92 HG2 LYS 92 -8.614 27.520 -10.107 349 HG3 LYS 92 HG3 LYS 92 -10.358 27.808 -10.032 350 HD2 LYS 92 HD2 LYS 92 -9.901 30.176 -10.862 351 HD3 LYS 92 HD3 LYS 92 -8.237 29.677 -11.183 352 HE2 LYS 92 HE2 LYS 92 -10.738 28.402 -12.383 353 HE3 LYS 92 HE3 LYS 92 -9.735 29.615 -13.179 354 HZ1 LYS 92 HZ1 LYS 92 -8.870 26.866 -12.408 355 HZ2 LYS 92 HZ2 LYS 92 -9.094 27.426 -13.923 356 HZ3 LYS 92 HZ3 LYS 92 -7.855 28.010 -13.035 357 H SER 93 H SER 93 -7.822 29.052 -5.711 358 HA SER 93 HA SER 93 -8.581 31.715 -4.825 359 HB2 SER 93 HB2 SER 93 -7.521 29.316 -3.299 360 HB3 SER 93 HB3 SER 93 -8.131 30.809 -2.557 361 HG SER 93 HG SER 93 -9.775 29.195 -2.716 362 H ASP 94 H ASP 94 -5.435 30.147 -5.166 363 HA ASP 94 HA ASP 94 -3.897 32.490 -4.273 364 HB2 ASP 94 HB2 ASP 94 -3.911 29.771 -2.911 365 HB3 ASP 94 HB3 ASP 94 -2.595 30.930 -2.763 366 HA PRO 95 HA PRO 95 -2.350 30.637 -8.005 367 HB2 PRO 95 HB2 PRO 95 -0.569 32.558 -8.847 368 HB3 PRO 95 HB3 PRO 95 -2.341 32.793 -8.803 369 HG2 PRO 95 HG2 PRO 95 -0.334 33.527 -6.626 370 HG3 PRO 95 HG3 PRO 95 -1.527 34.619 -7.432 371 HD2 PRO 95 HD2 PRO 95 -2.113 33.469 -5.092 372 HD3 PRO 95 HD3 PRO 95 -3.369 33.426 -6.376 373 H TRP 96 H TRP 96 -0.142 30.906 -5.355 374 HA TRP 96 HA TRP 96 2.304 30.317 -6.645 375 HB2 TRP 96 HB2 TRP 96 3.175 29.960 -4.465 376 HB3 TRP 96 HB3 TRP 96 1.972 31.227 -4.323 377 HD1 TRP 96 HD1 TRP 96 -0.534 30.267 -3.457 378 HE1 TRP 96 HE1 TRP 96 -1.070 28.566 -1.601 379 HE3 TRP 96 HE3 TRP 96 3.983 27.887 -3.248 380 HZ2 TRP 96 HZ2 TRP 96 0.274 26.381 -0.277 381 HZ3 TRP 96 HZ3 TRP 96 4.319 25.962 -1.710 382 HH2 TRP 96 HH2 TRP 96 2.479 25.204 -0.222 383 H LEU 97 H LEU 97 -0.208 27.989 -5.612 384 HA LEU 97 HA LEU 97 1.566 26.030 -4.865 385 HB2 LEU 97 HB2 LEU 97 -0.874 26.612 -4.257 386 HB3 LEU 97 HB3 LEU 97 -1.357 25.537 -5.551 387 HG LEU 97 HG LEU 97 0.533 24.624 -3.329 388 HD11 LEU 97 HD11 LEU 97 -2.485 24.439 -3.218 389 HD12 LEU 97 HD12 LEU 97 -1.334 23.871 -2.000 390 HD13 LEU 97 HD13 LEU 97 -1.529 25.610 -2.273 391 HD21 LEU 97 HD21 LEU 97 0.195 23.106 -5.223 392 HD22 LEU 97 HD22 LEU 97 -0.531 22.431 -3.766 393 HD23 LEU 97 HD23 LEU 97 -1.570 23.204 -4.993 394 H ARG 98 H ARG 98 2.288 24.059 -5.771 395 HA ARG 98 HA ARG 98 1.934 23.693 -8.737 396 HB2 ARG 98 HB2 ARG 98 4.340 23.049 -6.988 397 HB3 ARG 98 HB3 ARG 98 4.195 22.703 -8.716 398 HG2 ARG 98 HG2 ARG 98 3.864 25.154 -9.148 399 HG3 ARG 98 HG3 ARG 98 4.167 25.483 -7.439 400 HD2 ARG 98 HD2 ARG 98 6.137 24.130 -9.327 401 HD3 ARG 98 HD3 ARG 98 6.132 25.856 -8.914 402 HE ARG 98 HE ARG 98 6.228 24.321 -6.499 403 HH11 ARG 98 HH11 ARG 98 8.318 25.241 -9.157 404 HH12 ARG 98 HH12 ARG 98 9.767 25.055 -8.209 405 HH21 ARG 98 HH21 ARG 98 8.119 24.101 -5.338 406 HH22 ARG 98 HH22 ARG 98 9.648 24.432 -6.093 407 H LEU 99 H LEU 99 1.609 21.678 -9.577 408 HA LEU 99 HA LEU 99 0.204 19.824 -7.770 409 HB2 LEU 99 HB2 LEU 99 -0.632 20.893 -9.991 410 HB3 LEU 99 HB3 LEU 99 0.403 19.740 -10.791 411 HG LEU 99 HG LEU 99 -2.121 19.171 -9.149 412 HD11 LEU 99 HD11 LEU 99 -1.242 18.589 -12.011 413 HD12 LEU 99 HD12 LEU 99 -2.788 18.120 -11.295 414 HD13 LEU 99 HD13 LEU 99 -2.399 19.839 -11.511 415 HD21 LEU 99 HD21 LEU 99 -0.622 17.453 -8.475 416 HD22 LEU 99 HD22 LEU 99 -1.828 16.843 -9.591 417 HD23 LEU 99 HD23 LEU 99 -0.162 17.145 -10.180 418 H ASP 100 H ASP 100 1.271 18.063 -6.941 419 HA ASP 100 HA ASP 100 3.112 16.497 -8.697 420 HB2 ASP 100 HB2 ASP 100 3.641 17.385 -5.841 421 HB3 ASP 100 HB3 ASP 100 4.464 16.026 -6.601 422 H MET 101 H MET 101 2.363 14.507 -8.943 423 HA MET 101 HA MET 101 1.301 12.942 -6.705 424 HB2 MET 101 HB2 MET 101 -0.809 12.359 -8.175 425 HB3 MET 101 HB3 MET 101 -0.762 13.726 -7.094 426 HG2 MET 101 HG2 MET 101 -1.837 14.525 -8.950 427 HG3 MET 101 HG3 MET 101 -0.225 15.184 -9.063 428 HE1 MET 101 HE1 MET 101 -1.654 15.734 -11.534 429 HE2 MET 101 HE2 MET 101 -2.032 14.417 -12.660 430 HE3 MET 101 HE3 MET 101 -2.887 14.524 -11.101 431 H SER 102 H SER 102 3.582 12.432 -7.575 432 HA SER 102 HA SER 102 3.778 10.308 -9.535 433 HB2 SER 102 HB2 SER 102 5.921 9.864 -8.425 434 HB3 SER 102 HB3 SER 102 5.715 11.604 -8.700 435 HG SER 102 HG SER 102 6.412 11.306 -6.584 436 H ASP 103 H ASP 103 4.193 8.035 -8.971 437 HA ASP 103 HA ASP 103 2.293 6.683 -7.425 438 HB2 ASP 103 HB2 ASP 103 5.174 5.931 -8.115 439 HB3 ASP 103 HB3 ASP 103 3.984 4.810 -7.462 440 H LYS 104 H LYS 104 5.549 7.766 -6.435 441 HA LYS 104 HA LYS 104 5.466 6.873 -3.721 442 HB2 LYS 104 HB2 LYS 104 7.474 7.611 -5.072 443 HB3 LYS 104 HB3 LYS 104 6.965 9.287 -4.851 444 HG2 LYS 104 HG2 LYS 104 7.171 9.039 -2.394 445 HG3 LYS 104 HG3 LYS 104 7.583 7.324 -2.591 446 HD2 LYS 104 HD2 LYS 104 9.613 7.965 -3.879 447 HD3 LYS 104 HD3 LYS 104 9.206 9.681 -3.657 448 HE2 LYS 104 HE2 LYS 104 9.355 9.398 -1.193 449 HE3 LYS 104 HE3 LYS 104 9.730 7.683 -1.403 450 HZ1 LYS 104 HZ1 LYS 104 11.429 9.929 -2.384 451 HZ2 LYS 104 HZ2 LYS 104 11.756 8.998 -1.086 452 HZ3 LYS 104 HZ3 LYS 104 11.774 8.342 -2.579 453 H ALA 105 H ALA 105 4.416 10.047 -5.133 454 HA ALA 105 HA ALA 105 3.706 11.230 -2.624 455 HB1 ALA 105 HB1 ALA 105 2.581 11.695 -5.404 456 HB2 ALA 105 HB2 ALA 105 2.414 12.796 -4.024 457 HB3 ALA 105 HB3 ALA 105 4.016 12.486 -4.721 458 H ILE 106 H ILE 106 1.801 9.142 -4.822 459 HA ILE 106 HA ILE 106 -0.600 9.356 -3.186 460 HB ILE 106 HB ILE 106 0.219 7.526 -5.452 461 HG12 ILE 106 HG12 ILE 106 -1.885 8.503 -6.428 462 HG13 ILE 106 HG13 ILE 106 -2.097 9.467 -4.963 463 HG21 ILE 106 HG21 ILE 106 -2.285 7.196 -3.720 464 HG22 ILE 106 HG22 ILE 106 -2.055 6.460 -5.320 465 HG23 ILE 106 HG23 ILE 106 -1.009 5.987 -3.996 466 HD11 ILE 106 HD11 ILE 106 0.233 9.659 -6.877 467 HD12 ILE 106 HD12 ILE 106 -1.167 10.751 -6.803 468 HD13 ILE 106 HD13 ILE 106 -0.016 10.707 -5.455 469 H PHE 107 H PHE 107 1.947 6.825 -3.360 470 HA PHE 107 HA PHE 107 0.701 5.312 -1.252 471 HB2 PHE 107 HB2 PHE 107 3.633 5.194 -1.964 472 HB3 PHE 107 HB3 PHE 107 2.640 3.962 -1.160 473 HD1 PHE 107 HD2 PHE 107 0.183 3.981 -2.888 474 HD2 PHE 107 HD1 PHE 107 4.375 4.005 -3.883 475 HE1 PHE 107 HE2 PHE 107 -0.326 2.876 -5.019 476 HE2 PHE 107 HE1 PHE 107 3.863 2.836 -6.021 477 HZ PHE 107 HZ PHE 107 1.510 2.282 -6.604 478 H ARG 108 H ARG 108 3.013 8.016 -1.053 479 HA ARG 108 HA ARG 108 3.462 7.802 1.810 480 HB2 ARG 108 HB2 ARG 108 3.826 10.004 -0.263 481 HB3 ARG 108 HB3 ARG 108 4.155 10.281 1.423 482 HG2 ARG 108 HG2 ARG 108 5.488 8.054 -0.177 483 HG3 ARG 108 HG3 ARG 108 6.170 9.667 -0.002 484 HD2 ARG 108 HD2 ARG 108 5.579 7.764 2.305 485 HD3 ARG 108 HD3 ARG 108 7.156 7.988 1.537 486 HE ARG 108 HE ARG 108 6.356 10.556 2.298 487 HH11 ARG 108 HH11 ARG 108 7.114 7.586 4.002 488 HH12 ARG 108 HH12 ARG 108 7.621 8.431 5.438 489 HH21 ARG 108 HH21 ARG 108 6.999 11.570 4.169 490 HH22 ARG 108 HH22 ARG 108 7.561 10.632 5.519 491 H ARG 109 H ARG 109 1.108 9.718 -0.126 492 HA ARG 109 HA ARG 109 -0.152 10.869 2.259 493 HB2 ARG 109 HB2 ARG 109 -0.959 10.658 -0.668 494 HB3 ARG 109 HB3 ARG 109 -2.025 11.360 0.556 495 HG2 ARG 109 HG2 ARG 109 -0.432 13.068 1.132 496 HG3 ARG 109 HG3 ARG 109 0.817 12.352 0.104 497 HD2 ARG 109 HD2 ARG 109 -0.447 12.871 -1.914 498 HD3 ARG 109 HD3 ARG 109 -1.861 13.326 -0.962 499 HE ARG 109 HE ARG 109 -0.999 15.412 -0.599 500 HH11 ARG 109 HH11 ARG 109 1.740 13.481 -1.636 501 HH12 ARG 109 HH12 ARG 109 2.776 14.878 -1.776 502 HH21 ARG 109 HH21 ARG 109 0.373 17.127 -0.780 503 HH22 ARG 109 HH22 ARG 109 2.014 16.889 -1.295 504 H TYR 110 H TYR 110 -0.814 8.033 0.292 505 HA TYR 110 HA TYR 110 -3.021 7.171 2.113 506 HB2 TYR 110 HB2 TYR 110 -2.949 6.951 -0.907 507 HB3 TYR 110 HB3 TYR 110 -4.281 6.573 0.177 508 HD1 TYR 110 HD2 TYR 110 -5.088 8.613 1.716 509 HD2 TYR 110 HD1 TYR 110 -2.948 9.005 -2.003 510 HE1 TYR 110 HE2 TYR 110 -6.025 10.906 1.416 511 HE2 TYR 110 HE1 TYR 110 -3.898 11.290 -2.313 512 HH TYR 110 HH TYR 110 -5.253 12.944 -1.429 513 HA PRO 111 HA PRO 111 0.364 4.066 1.769 514 HB2 PRO 111 HB2 PRO 111 0.249 2.978 4.289 515 HB3 PRO 111 HB3 PRO 111 1.022 4.546 3.910 516 HG2 PRO 111 HG2 PRO 111 -1.796 4.067 4.935 517 HG3 PRO 111 HG3 PRO 111 -0.563 5.198 5.583 518 HD2 PRO 111 HD2 PRO 111 -2.486 6.056 3.899 519 HD3 PRO 111 HD3 PRO 111 -0.811 6.667 3.735 520 H HIS 112 H HIS 112 -3.020 3.499 2.211 521 HA HIS 112 HA HIS 112 -2.859 0.588 2.078 522 HB2 HIS 112 HB2 HIS 112 -5.231 0.647 2.096 523 HB3 HIS 112 HB3 HIS 112 -4.631 1.784 3.293 524 HD2 HIS 112 HD2 HIS 112 -7.015 1.520 0.474 525 HE1 HIS 112 HE1 HIS 112 -6.347 5.704 0.757 526 HE2 HIS 112 HE2 HIS 112 -7.815 3.934 -0.257 527 H LEU 113 H LEU 113 -2.426 2.982 -0.343 528 HA LEU 113 HA LEU 113 -3.619 1.356 -2.478 529 HB2 LEU 113 HB2 LEU 113 -2.130 3.993 -2.470 530 HB3 LEU 113 HB3 LEU 113 -2.418 3.118 -3.962 531 HG LEU 113 HG LEU 113 -4.084 4.868 -3.669 532 HD11 LEU 113 HD11 LEU 113 -5.416 2.154 -3.297 533 HD12 LEU 113 HD12 LEU 113 -6.134 3.622 -3.943 534 HD13 LEU 113 HD13 LEU 113 -4.820 2.809 -4.843 535 HD21 LEU 113 HD21 LEU 113 -4.100 4.826 -1.177 536 HD22 LEU 113 HD22 LEU 113 -5.716 4.850 -1.931 537 HD23 LEU 113 HD23 LEU 113 -5.068 3.345 -1.261 538 H ARG 114 H ARG 114 -0.300 1.758 -1.204 539 HA ARG 114 HA ARG 114 0.913 0.101 -3.258 540 HB2 ARG 114 HB2 ARG 114 2.293 1.612 -2.002 541 HB3 ARG 114 HB3 ARG 114 1.816 0.878 -0.462 542 HG2 ARG 114 HG2 ARG 114 2.971 -1.167 -0.971 543 HG3 ARG 114 HG3 ARG 114 3.253 -0.691 -2.652 544 HD2 ARG 114 HD2 ARG 114 4.367 0.892 -0.307 545 HD3 ARG 114 HD3 ARG 114 5.206 -0.512 -0.994 546 HE ARG 114 HE ARG 114 4.588 1.164 -3.161 547 HH11 ARG 114 HH11 ARG 114 6.627 1.383 -0.323 548 HH12 ARG 114 HH12 ARG 114 7.843 2.319 -1.146 549 HH21 ARG 114 HH21 ARG 114 6.231 2.280 -4.184 550 HH22 ARG 114 HH22 ARG 114 7.599 2.838 -3.272 Start of MODEL 10 1 H1 MET 1 H1 MET 1 7.044 34.584 -2.648 2 H2 MET 1 H2 MET 1 6.914 33.970 -1.147 3 H3 MET 1 H3 MET 1 5.617 34.678 -1.852 4 HA MET 1 HA MET 1 6.902 32.153 -2.756 5 HB2 MET 1 HB2 MET 1 4.201 32.592 -1.391 6 HB3 MET 1 HB3 MET 1 4.701 31.093 -2.172 7 HG2 MET 1 HG2 MET 1 6.622 30.910 -0.616 8 HG3 MET 1 HG3 MET 1 6.072 32.357 0.234 9 HE1 MET 1 HE1 MET 1 2.883 32.040 0.474 10 HE2 MET 1 HE2 MET 1 2.814 31.197 2.032 11 HE3 MET 1 HE3 MET 1 3.985 32.508 1.791 12 H ARG 2 H ARG 2 7.071 32.530 -4.970 13 HA ARG 2 HA ARG 2 4.587 32.587 -6.523 14 HB2 ARG 2 HB2 ARG 2 5.166 34.602 -7.853 15 HB3 ARG 2 HB3 ARG 2 4.781 34.939 -6.189 16 HG2 ARG 2 HG2 ARG 2 6.524 36.378 -6.753 17 HG3 ARG 2 HG3 ARG 2 7.243 35.182 -5.687 18 HD2 ARG 2 HD2 ARG 2 8.314 34.076 -7.597 19 HD3 ARG 2 HD3 ARG 2 7.448 35.145 -8.727 20 HE ARG 2 HE ARG 2 8.925 36.741 -6.878 21 HH11 ARG 2 HH11 ARG 2 9.605 34.622 -9.594 22 HH12 ARG 2 HH12 ARG 2 11.092 35.445 -9.977 23 HH21 ARG 2 HH21 ARG 2 10.829 37.738 -7.425 24 HH22 ARG 2 HH22 ARG 2 11.762 37.164 -8.774 25 H GLY 3 H GLY 3 4.988 32.523 -8.887 26 HA2 GLY 3 HA2 GLY 3 6.264 32.237 -10.791 27 HA3 GLY 3 HA3 GLY 3 7.685 31.883 -9.820 28 H SER 4 H SER 4 5.443 29.705 -8.673 29 HA SER 4 HA SER 4 6.622 27.523 -10.224 30 HB2 SER 4 HB2 SER 4 4.564 27.484 -8.003 31 HB3 SER 4 HB3 SER 4 5.358 26.064 -8.709 32 HG SER 4 HG SER 4 6.410 26.832 -6.772 33 H HIS 5 H HIS 5 5.886 26.953 -12.162 34 HA HIS 5 HA HIS 5 3.024 27.310 -12.878 35 HB2 HIS 5 HB2 HIS 5 4.673 28.250 -14.399 36 HB3 HIS 5 HB3 HIS 5 5.447 26.671 -14.589 37 HD2 HIS 5 HD2 HIS 5 4.438 25.037 -16.371 38 HE1 HIS 5 HE1 HIS 5 0.708 26.967 -17.106 39 HE2 HIS 5 HE2 HIS 5 2.192 25.004 -17.754 40 H HIS 6 H HIS 6 1.657 25.722 -13.463 41 HA HIS 6 HA HIS 6 2.554 23.176 -14.372 42 HB2 HIS 6 HB2 HIS 6 2.375 22.964 -11.736 43 HB3 HIS 6 HB3 HIS 6 0.642 22.898 -12.041 44 HD2 HIS 6 HD2 HIS 6 3.805 20.831 -12.147 45 HE1 HIS 6 HE1 HIS 6 0.895 18.426 -14.124 46 HE2 HIS 6 HE2 HIS 6 3.237 18.454 -13.121 47 H HIS 7 H HIS 7 0.793 21.971 -15.384 48 HA HIS 7 HA HIS 7 -1.876 23.114 -15.444 49 HB2 HIS 7 HB2 HIS 7 -2.046 23.370 -17.855 50 HB3 HIS 7 HB3 HIS 7 -0.853 24.471 -17.195 51 HD2 HIS 7 HD2 HIS 7 -1.239 21.547 -19.613 52 HE1 HIS 7 HE1 HIS 7 2.848 22.739 -19.868 53 HE2 HIS 7 HE2 HIS 7 1.043 21.274 -20.904 54 H HIS 8 H HIS 8 -3.403 21.584 -15.711 55 HA HIS 8 HA HIS 8 -2.857 19.011 -16.994 56 HB2 HIS 8 HB2 HIS 8 -2.065 19.058 -14.438 57 HB3 HIS 8 HB3 HIS 8 -3.776 18.822 -14.125 58 HD2 HIS 8 HD2 HIS 8 -0.864 16.841 -14.171 59 HE1 HIS 8 HE1 HIS 8 -3.492 14.280 -16.339 60 HE2 HIS 8 HE2 HIS 8 -1.265 14.416 -15.105 61 H HIS 9 H HIS 9 -4.774 17.680 -17.143 62 HA HIS 9 HA HIS 9 -7.331 18.570 -16.180 63 HB2 HIS 9 HB2 HIS 9 -7.180 19.979 -18.236 64 HB3 HIS 9 HB3 HIS 9 -6.982 18.520 -19.205 65 HD2 HIS 9 HD2 HIS 9 -9.595 20.509 -17.206 66 HE1 HIS 9 HE1 HIS 9 -11.744 17.385 -19.161 67 HE2 HIS 9 HE2 HIS 9 -11.969 19.511 -17.778 68 H HIS 10 H HIS 10 -8.303 16.728 -15.552 69 HA HIS 10 HA HIS 10 -8.261 14.296 -17.175 70 HB2 HIS 10 HB2 HIS 10 -6.073 14.317 -15.857 71 HB3 HIS 10 HB3 HIS 10 -7.034 14.240 -14.383 72 HD2 HIS 10 HD2 HIS 10 -6.493 12.203 -17.679 73 HE1 HIS 10 HE1 HIS 10 -7.625 9.423 -14.646 74 HE2 HIS 10 HE2 HIS 10 -6.891 9.667 -17.075 75 H GLY 11 H GLY 11 -9.649 12.619 -16.366 76 HA2 GLY 11 HA2 GLY 11 -11.333 11.658 -15.120 77 HA3 GLY 11 HA3 GLY 11 -11.367 13.043 -14.037 78 H SER 12 H SER 12 -13.596 11.593 -15.061 79 HA SER 12 HA SER 12 -15.256 13.788 -16.084 80 HB2 SER 12 HB2 SER 12 -16.149 12.482 -17.961 81 HB3 SER 12 HB3 SER 12 -14.416 12.763 -18.155 82 HG SER 12 HG SER 12 -14.987 10.577 -18.611 83 H GLY 58 H GLY 58 -17.619 13.056 -16.209 84 HA2 GLY 58 HA2 GLY 58 -19.507 12.136 -15.264 85 HA3 GLY 58 HA3 GLY 58 -18.577 10.647 -15.133 86 H ALA 59 H ALA 59 -18.595 9.837 -13.141 87 HA ALA 59 HA ALA 59 -19.421 11.312 -10.813 88 HB1 ALA 59 HB1 ALA 59 -18.257 8.509 -11.103 89 HB2 ALA 59 HB2 ALA 59 -19.133 9.141 -9.693 90 HB3 ALA 59 HB3 ALA 59 -19.979 8.946 -11.238 91 H LEU 60 H LEU 60 -16.307 11.126 -12.236 92 HA LEU 60 HA LEU 60 -14.221 11.486 -11.599 93 HB2 LEU 60 HB2 LEU 60 -15.845 13.585 -10.605 94 HB3 LEU 60 HB3 LEU 60 -14.765 13.229 -9.283 95 HG LEU 60 HG LEU 60 -12.906 13.240 -11.183 96 HD11 LEU 60 HD11 LEU 60 -15.061 14.965 -12.466 97 HD12 LEU 60 HD12 LEU 60 -13.392 14.759 -13.037 98 HD13 LEU 60 HD13 LEU 60 -14.516 13.388 -13.063 99 HD21 LEU 60 HD21 LEU 60 -13.014 14.904 -9.352 100 HD22 LEU 60 HD22 LEU 60 -12.590 15.677 -10.889 101 HD23 LEU 60 HD23 LEU 60 -14.244 15.819 -10.253 102 H ALA 61 H ALA 61 -13.039 12.043 -8.977 103 HA ALA 61 HA ALA 61 -12.217 9.401 -8.387 104 HB1 ALA 61 HB1 ALA 61 -11.942 11.974 -6.771 105 HB2 ALA 61 HB2 ALA 61 -11.034 10.477 -6.492 106 HB3 ALA 61 HB3 ALA 61 -10.812 11.368 -8.005 107 H ALA 62 H ALA 62 -12.686 7.935 -6.841 108 HA ALA 62 HA ALA 62 -15.002 8.443 -5.086 109 HB1 ALA 62 HB1 ALA 62 -13.821 5.808 -6.058 110 HB2 ALA 62 HB2 ALA 62 -15.314 5.994 -5.118 111 HB3 ALA 62 HB3 ALA 62 -15.227 6.632 -6.770 112 H LEU 63 H LEU 63 -15.190 7.477 -3.020 113 HA LEU 63 HA LEU 63 -12.625 7.280 -1.511 114 HB2 LEU 63 HB2 LEU 63 -15.156 8.757 -0.690 115 HB3 LEU 63 HB3 LEU 63 -13.738 8.531 0.323 116 HG LEU 63 HG LEU 63 -13.799 10.151 -2.263 117 HD11 LEU 63 HD11 LEU 63 -13.667 11.032 0.653 118 HD12 LEU 63 HD12 LEU 63 -13.610 12.092 -0.774 119 HD13 LEU 63 HD13 LEU 63 -15.083 11.181 -0.412 120 HD21 LEU 63 HD21 LEU 63 -11.552 9.268 -1.866 121 HD22 LEU 63 HD22 LEU 63 -11.589 10.989 -1.450 122 HD23 LEU 63 HD23 LEU 63 -11.623 9.770 -0.165 123 H HIS 64 H HIS 64 -12.573 5.954 0.246 124 HA HIS 64 HA HIS 64 -14.625 3.896 0.699 125 HB2 HIS 64 HB2 HIS 64 -12.114 4.765 2.146 126 HB3 HIS 64 HB3 HIS 64 -13.147 3.465 2.738 127 HD2 HIS 64 HD2 HIS 64 -10.075 3.934 0.871 128 HE1 HIS 64 HE1 HIS 64 -11.540 0.184 -0.506 129 HE2 HIS 64 HE2 HIS 64 -9.512 1.707 -0.430 130 H ALA 65 H ALA 65 -16.169 3.888 2.331 131 HA ALA 65 HA ALA 65 -16.734 6.536 3.565 132 HB1 ALA 65 HB1 ALA 65 -18.538 4.155 2.983 133 HB2 ALA 65 HB2 ALA 65 -19.049 5.761 3.547 134 HB3 ALA 65 HB3 ALA 65 -18.320 5.584 1.942 135 H GLU 66 H GLU 66 -15.688 3.420 4.651 136 HA GLU 66 HA GLU 66 -16.544 3.994 7.460 137 HB2 GLU 66 HB2 GLU 66 -16.938 1.385 5.940 138 HB3 GLU 66 HB3 GLU 66 -17.156 1.592 7.681 139 HG2 GLU 66 HG2 GLU 66 -18.921 3.312 7.233 140 HG3 GLU 66 HG3 GLU 66 -18.780 2.972 5.504 141 H GLY 67 H GLY 67 -15.432 2.802 9.106 142 HA2 GLY 67 HA2 GLY 67 -13.625 1.817 10.152 143 HA3 GLY 67 HA3 GLY 67 -13.177 1.129 8.597 144 HA PRO 68 HA PRO 68 -9.811 4.104 9.995 145 HB2 PRO 68 HB2 PRO 68 -7.738 2.585 8.902 146 HB3 PRO 68 HB3 PRO 68 -8.367 2.427 10.575 147 HG2 PRO 68 HG2 PRO 68 -9.073 0.792 8.124 148 HG3 PRO 68 HG3 PRO 68 -8.693 0.211 9.778 149 HD2 PRO 68 HD2 PRO 68 -11.234 0.429 8.945 150 HD3 PRO 68 HD3 PRO 68 -10.801 0.936 10.606 151 H LEU 69 H LEU 69 -10.629 2.638 6.930 152 HA LEU 69 HA LEU 69 -9.076 4.506 5.282 153 HB2 LEU 69 HB2 LEU 69 -10.599 1.968 4.974 154 HB3 LEU 69 HB3 LEU 69 -10.726 3.058 3.606 155 HG LEU 69 HG LEU 69 -8.375 3.053 3.212 156 HD11 LEU 69 HD11 LEU 69 -8.074 1.424 5.768 157 HD12 LEU 69 HD12 LEU 69 -6.795 1.680 4.565 158 HD13 LEU 69 HD13 LEU 69 -7.428 3.055 5.460 159 HD21 LEU 69 HD21 LEU 69 -9.658 1.071 2.408 160 HD22 LEU 69 HD22 LEU 69 -7.969 0.660 2.767 161 HD23 LEU 69 HD23 LEU 69 -9.256 0.211 3.902 162 H ALA 70 H ALA 70 -12.041 4.882 6.905 163 HA ALA 70 HA ALA 70 -13.707 6.053 4.992 164 HB1 ALA 70 HB1 ALA 70 -13.321 6.855 7.904 165 HB2 ALA 70 HB2 ALA 70 -14.720 7.262 6.887 166 HB3 ALA 70 HB3 ALA 70 -14.390 5.572 7.301 167 H GLY 71 H GLY 71 -13.602 7.784 3.727 168 HA2 GLY 71 HA2 GLY 71 -13.234 10.053 3.170 169 HA3 GLY 71 HA3 GLY 71 -12.074 10.207 4.500 170 H LEU 72 H LEU 72 -11.133 7.428 2.930 171 HA LEU 72 HA LEU 72 -9.039 8.965 1.474 172 HB2 LEU 72 HB2 LEU 72 -9.045 6.122 2.498 173 HB3 LEU 72 HB3 LEU 72 -7.671 7.006 1.851 174 HG LEU 72 HG LEU 72 -9.045 7.446 4.508 175 HD11 LEU 72 HD11 LEU 72 -6.159 6.798 3.777 176 HD12 LEU 72 HD12 LEU 72 -6.865 6.869 5.406 177 HD13 LEU 72 HD13 LEU 72 -7.364 5.601 4.275 178 HD21 LEU 72 HD21 LEU 72 -8.520 9.681 3.687 179 HD22 LEU 72 HD22 LEU 72 -7.354 9.222 4.924 180 HD23 LEU 72 HD23 LEU 72 -6.884 9.161 3.211 181 HA PRO 73 HA PRO 73 -10.142 7.524 -2.641 182 HB2 PRO 73 HB2 PRO 73 -7.699 6.781 -3.678 183 HB3 PRO 73 HB3 PRO 73 -8.241 8.470 -3.520 184 HG2 PRO 73 HG2 PRO 73 -6.523 6.866 -1.594 185 HG3 PRO 73 HG3 PRO 73 -6.189 8.486 -2.250 186 HD2 PRO 73 HD2 PRO 73 -7.258 8.229 0.170 187 HD3 PRO 73 HD3 PRO 73 -7.959 9.438 -0.923 188 H VAL 74 H VAL 74 -10.790 5.715 -3.666 189 HA VAL 74 HA VAL 74 -10.232 3.121 -2.384 190 HB VAL 74 HB VAL 74 -11.934 3.677 -4.837 191 HG11 VAL 74 HG11 VAL 74 -11.775 1.282 -2.968 192 HG12 VAL 74 HG12 VAL 74 -12.975 1.512 -4.260 193 HG13 VAL 74 HG13 VAL 74 -11.272 1.322 -4.675 194 HG21 VAL 74 HG21 VAL 74 -12.856 4.871 -2.892 195 HG22 VAL 74 HG22 VAL 74 -13.854 3.469 -3.275 196 HG23 VAL 74 HG23 VAL 74 -12.724 3.395 -1.906 197 H THR 75 H THR 75 -9.373 4.820 -5.388 198 HA THR 75 HA THR 75 -7.355 2.689 -5.982 199 HB THR 75 HB THR 75 -7.860 2.789 -8.257 200 HG1 THR 75 HG1 THR 75 -9.344 4.471 -9.033 201 HG21 THR 75 HG21 THR 75 -10.592 3.303 -7.013 202 HG22 THR 75 HG22 THR 75 -10.242 2.444 -8.526 203 HG23 THR 75 HG23 THR 75 -9.746 1.745 -6.972 204 H ARG 76 H ARG 76 -5.602 3.354 -7.517 205 HA ARG 76 HA ARG 76 -4.175 5.686 -6.500 206 HB2 ARG 76 HB2 ARG 76 -3.640 4.034 -9.028 207 HB3 ARG 76 HB3 ARG 76 -2.590 5.265 -8.352 208 HG2 ARG 76 HG2 ARG 76 -1.542 3.462 -7.503 209 HG3 ARG 76 HG3 ARG 76 -2.655 3.766 -6.165 210 HD2 ARG 76 HD2 ARG 76 -4.141 1.969 -7.002 211 HD3 ARG 76 HD3 ARG 76 -3.116 1.786 -8.441 212 HE ARG 76 HE ARG 76 -1.538 1.376 -6.067 213 HH11 ARG 76 HH11 ARG 76 -3.903 -0.335 -8.038 214 HH12 ARG 76 HH12 ARG 76 -3.287 -1.885 -7.542 215 HH21 ARG 76 HH21 ARG 76 -0.878 -0.569 -5.444 216 HH22 ARG 76 HH22 ARG 76 -1.602 -2.024 -6.111 217 H SER 77 H SER 77 -6.209 5.127 -9.360 218 HA SER 77 HA SER 77 -5.860 7.699 -10.566 219 HB2 SER 77 HB2 SER 77 -8.297 5.881 -10.654 220 HB3 SER 77 HB3 SER 77 -7.916 7.204 -11.774 221 HG SER 77 HG SER 77 -7.265 5.138 -12.600 222 H ASP 78 H ASP 78 -8.271 6.558 -8.090 223 HA ASP 78 HA ASP 78 -9.609 9.075 -7.860 224 HB2 ASP 78 HB2 ASP 78 -9.100 7.116 -5.591 225 HB3 ASP 78 HB3 ASP 78 -10.325 8.386 -5.641 226 H ALA 79 H ALA 79 -6.749 7.793 -6.079 227 HA ALA 79 HA ALA 79 -6.328 10.055 -4.419 228 HB1 ALA 79 HB1 ALA 79 -4.236 8.157 -5.587 229 HB2 ALA 79 HB2 ALA 79 -4.135 9.086 -4.077 230 HB3 ALA 79 HB3 ALA 79 -5.287 7.746 -4.230 231 H ARG 80 H ARG 80 -4.906 9.353 -7.631 232 HA ARG 80 HA ARG 80 -3.361 11.750 -7.930 233 HB2 ARG 80 HB2 ARG 80 -3.124 9.609 -9.170 234 HB3 ARG 80 HB3 ARG 80 -4.647 9.917 -10.012 235 HG2 ARG 80 HG2 ARG 80 -3.679 11.835 -11.168 236 HG3 ARG 80 HG3 ARG 80 -2.203 11.723 -10.182 237 HD2 ARG 80 HD2 ARG 80 -1.630 9.562 -11.137 238 HD3 ARG 80 HD3 ARG 80 -3.182 9.467 -11.961 239 HE ARG 80 HE ARG 80 -2.496 10.957 -13.598 240 HH11 ARG 80 HH11 ARG 80 0.142 10.905 -11.230 241 HH12 ARG 80 HH12 ARG 80 1.309 11.281 -12.456 242 HH21 ARG 80 HH21 ARG 80 -0.918 11.449 -15.052 243 HH22 ARG 80 HH22 ARG 80 0.720 11.668 -14.522 244 H VAL 81 H VAL 81 -6.743 11.078 -8.925 245 HA VAL 81 HA VAL 81 -7.135 13.766 -9.971 246 HB VAL 81 HB VAL 81 -9.048 11.516 -9.304 247 HG11 VAL 81 HG11 VAL 81 -9.692 14.197 -10.619 248 HG12 VAL 81 HG12 VAL 81 -10.762 12.780 -10.587 249 HG13 VAL 81 HG13 VAL 81 -10.354 13.601 -9.079 250 HG21 VAL 81 HG21 VAL 81 -7.579 11.183 -11.285 251 HG22 VAL 81 HG22 VAL 81 -9.274 11.378 -11.751 252 HG23 VAL 81 HG23 VAL 81 -8.142 12.729 -11.951 253 H LEU 82 H LEU 82 -7.794 12.311 -6.704 254 HA LEU 82 HA LEU 82 -9.097 14.649 -5.669 255 HB2 LEU 82 HB2 LEU 82 -7.436 12.446 -4.400 256 HB3 LEU 82 HB3 LEU 82 -8.165 13.719 -3.436 257 HG LEU 82 HG LEU 82 -9.847 12.013 -5.297 258 HD11 LEU 82 HD11 LEU 82 -9.324 11.493 -2.347 259 HD12 LEU 82 HD12 LEU 82 -10.331 10.530 -3.472 260 HD13 LEU 82 HD13 LEU 82 -8.578 10.598 -3.683 261 HD21 LEU 82 HD21 LEU 82 -10.938 14.063 -4.480 262 HD22 LEU 82 HD22 LEU 82 -11.673 12.621 -3.768 263 HD23 LEU 82 HD23 LEU 82 -10.552 13.609 -2.806 264 H ILE 83 H ILE 83 -5.587 13.782 -5.729 265 HA ILE 83 HA ILE 83 -4.693 16.260 -4.588 266 HB ILE 83 HB ILE 83 -3.301 14.339 -6.489 267 HG12 ILE 83 HG12 ILE 83 -2.859 14.793 -3.498 268 HG13 ILE 83 HG13 ILE 83 -3.960 13.569 -4.114 269 HG21 ILE 83 HG21 ILE 83 -2.226 16.783 -4.994 270 HG22 ILE 83 HG22 ILE 83 -1.189 15.555 -5.714 271 HG23 ILE 83 HG23 ILE 83 -2.221 16.531 -6.753 272 HD11 ILE 83 HD11 ILE 83 -0.964 13.625 -4.616 273 HD12 ILE 83 HD12 ILE 83 -1.860 12.529 -3.560 274 HD13 ILE 83 HD13 ILE 83 -2.117 12.455 -5.311 275 H PHE 84 H PHE 84 -5.283 15.372 -8.056 276 HA PHE 84 HA PHE 84 -4.532 17.869 -9.140 277 HB2 PHE 84 HB2 PHE 84 -5.007 15.947 -10.576 278 HB3 PHE 84 HB3 PHE 84 -6.665 15.907 -10.019 279 HD1 PHE 84 HD1 PHE 84 -4.808 19.026 -11.005 280 HD2 PHE 84 HD2 PHE 84 -7.915 16.198 -11.995 281 HE1 PHE 84 HE1 PHE 84 -5.559 20.501 -12.819 282 HE2 PHE 84 HE2 PHE 84 -8.712 17.725 -13.776 283 HZ PHE 84 HZ PHE 84 -7.513 19.877 -14.203 284 H ASN 85 H ASN 85 -7.872 16.889 -8.088 285 HA ASN 85 HA ASN 85 -9.016 19.432 -8.652 286 HB2 ASN 85 HB2 ASN 85 -10.371 17.410 -8.383 287 HB3 ASN 85 HB3 ASN 85 -9.874 17.253 -6.691 288 HD21 ASN 85 HD22 ASN 85 -10.857 18.644 -5.106 289 HD22 ASN 85 HD21 ASN 85 -12.008 19.893 -5.546 290 H GLU 86 H GLU 86 -7.551 18.192 -5.604 291 HA GLU 86 HA GLU 86 -8.117 20.474 -3.983 292 HB2 GLU 86 HB2 GLU 86 -7.333 18.306 -3.108 293 HB3 GLU 86 HB3 GLU 86 -5.756 18.546 -3.876 294 HG2 GLU 86 HG2 GLU 86 -5.362 20.540 -2.475 295 HG3 GLU 86 HG3 GLU 86 -6.974 20.390 -1.775 296 H TRP 87 H TRP 87 -5.126 19.755 -5.968 297 HA TRP 87 HA TRP 87 -3.906 22.278 -5.621 298 HB2 TRP 87 HB2 TRP 87 -2.714 20.474 -6.699 299 HB3 TRP 87 HB3 TRP 87 -3.920 20.367 -7.980 300 HD1 TRP 87 HD1 TRP 87 -1.115 22.639 -6.739 301 HE1 TRP 87 HE1 TRP 87 -0.396 24.275 -8.597 302 HE3 TRP 87 HE3 TRP 87 -4.748 21.595 -10.214 303 HZ2 TRP 87 HZ2 TRP 87 -1.119 24.818 -11.331 304 HZ3 TRP 87 HZ3 TRP 87 -4.735 22.750 -12.405 305 HH2 TRP 87 HH2 TRP 87 -2.936 24.361 -12.970 306 H GLU 88 H GLU 88 -6.407 21.321 -8.075 307 HA GLU 88 HA GLU 88 -6.230 23.747 -9.499 308 HB2 GLU 88 HB2 GLU 88 -7.448 21.442 -10.034 309 HB3 GLU 88 HB3 GLU 88 -8.849 22.259 -9.326 310 HG2 GLU 88 HG2 GLU 88 -8.123 24.214 -10.960 311 HG3 GLU 88 HG3 GLU 88 -7.227 22.953 -11.789 312 H GLU 89 H GLU 89 -8.536 22.898 -6.855 313 HA GLU 89 HA GLU 89 -9.843 25.481 -6.837 314 HB2 GLU 89 HB2 GLU 89 -9.619 23.295 -4.725 315 HB3 GLU 89 HB3 GLU 89 -10.574 24.770 -4.535 316 HG2 GLU 89 HG2 GLU 89 -11.847 24.186 -6.617 317 HG3 GLU 89 HG3 GLU 89 -10.975 22.655 -6.694 318 H ARG 90 H ARG 90 -7.058 24.183 -4.948 319 HA ARG 90 HA ARG 90 -6.626 26.556 -3.365 320 HB2 ARG 90 HB2 ARG 90 -4.682 24.472 -4.427 321 HB3 ARG 90 HB3 ARG 90 -4.235 25.700 -3.247 322 HG2 ARG 90 HG2 ARG 90 -6.557 23.863 -2.661 323 HG3 ARG 90 HG3 ARG 90 -4.909 23.254 -2.600 324 HD2 ARG 90 HD2 ARG 90 -5.616 23.904 -0.369 325 HD3 ARG 90 HD3 ARG 90 -4.322 24.966 -0.892 326 HE ARG 90 HE ARG 90 -7.237 25.624 -0.652 327 HH11 ARG 90 HH11 ARG 90 -3.961 26.952 -0.990 328 HH12 ARG 90 HH12 ARG 90 -4.626 28.590 -0.900 329 HH21 ARG 90 HH21 ARG 90 -7.812 27.818 -0.419 330 HH22 ARG 90 HH22 ARG 90 -6.526 29.020 -0.601 331 H LYS 91 H LYS 91 -5.144 25.541 -6.390 332 HA LYS 91 HA LYS 91 -3.581 27.820 -6.969 333 HB2 LYS 91 HB2 LYS 91 -3.598 25.604 -8.235 334 HB3 LYS 91 HB3 LYS 91 -5.055 26.145 -9.056 335 HG2 LYS 91 HG2 LYS 91 -3.216 26.507 -10.509 336 HG3 LYS 91 HG3 LYS 91 -3.713 28.109 -9.967 337 HD2 LYS 91 HD2 LYS 91 -1.848 28.244 -8.418 338 HD3 LYS 91 HD3 LYS 91 -1.489 26.524 -8.620 339 HE2 LYS 91 HE2 LYS 91 -0.914 26.952 -11.029 340 HE3 LYS 91 HE3 LYS 91 -1.183 28.677 -10.766 341 HZ1 LYS 91 HZ1 LYS 91 0.820 27.085 -9.215 342 HZ2 LYS 91 HZ2 LYS 91 1.219 28.006 -10.518 343 HZ3 LYS 91 HZ3 LYS 91 0.610 28.714 -9.178 344 H LYS 92 H LYS 92 -7.039 27.330 -7.803 345 HA LYS 92 HA LYS 92 -7.426 29.925 -9.008 346 HB2 LYS 92 HB2 LYS 92 -9.312 27.939 -7.694 347 HB3 LYS 92 HB3 LYS 92 -9.873 29.477 -8.359 348 HG2 LYS 92 HG2 LYS 92 -9.088 28.925 -10.574 349 HG3 LYS 92 HG3 LYS 92 -8.301 27.447 -10.003 350 HD2 LYS 92 HD2 LYS 92 -10.500 26.533 -9.305 351 HD3 LYS 92 HD3 LYS 92 -11.313 27.978 -9.918 352 HE2 LYS 92 HE2 LYS 92 -9.602 26.085 -11.605 353 HE3 LYS 92 HE3 LYS 92 -11.350 25.941 -11.434 354 HZ1 LYS 92 HZ1 LYS 92 -9.955 28.288 -12.630 355 HZ2 LYS 92 HZ2 LYS 92 -10.807 27.158 -13.440 356 HZ3 LYS 92 HZ3 LYS 92 -11.576 28.172 -12.421 357 H SER 93 H SER 93 -7.784 28.909 -5.564 358 HA SER 93 HA SER 93 -8.535 31.600 -4.732 359 HB2 SER 93 HB2 SER 93 -7.676 29.153 -3.162 360 HB3 SER 93 HB3 SER 93 -8.252 30.670 -2.438 361 HG SER 93 HG SER 93 -9.970 29.146 -2.717 362 H ASP 94 H ASP 94 -5.412 29.985 -4.963 363 HA ASP 94 HA ASP 94 -3.910 32.312 -3.949 364 HB2 ASP 94 HB2 ASP 94 -3.737 29.493 -2.823 365 HB3 ASP 94 HB3 ASP 94 -2.557 30.764 -2.534 366 HA PRO 95 HA PRO 95 -2.376 30.720 -7.817 367 HB2 PRO 95 HB2 PRO 95 -0.663 32.741 -8.572 368 HB3 PRO 95 HB3 PRO 95 -2.444 32.907 -8.513 369 HG2 PRO 95 HG2 PRO 95 -0.455 33.623 -6.316 370 HG3 PRO 95 HG3 PRO 95 -1.701 34.696 -7.061 371 HD2 PRO 95 HD2 PRO 95 -2.208 33.412 -4.769 372 HD3 PRO 95 HD3 PRO 95 -3.478 33.386 -6.040 373 H TRP 96 H TRP 96 -0.164 30.915 -5.163 374 HA TRP 96 HA TRP 96 2.250 30.413 -6.625 375 HB2 TRP 96 HB2 TRP 96 3.309 30.354 -4.539 376 HB3 TRP 96 HB3 TRP 96 1.999 31.509 -4.359 377 HD1 TRP 96 HD1 TRP 96 -0.313 30.328 -3.195 378 HE1 TRP 96 HE1 TRP 96 -0.442 28.790 -1.137 379 HE3 TRP 96 HE3 TRP 96 4.487 28.550 -3.222 380 HZ2 TRP 96 HZ2 TRP 96 1.304 26.991 0.285 381 HZ3 TRP 96 HZ3 TRP 96 5.224 26.906 -1.510 382 HH2 TRP 96 HH2 TRP 96 3.648 26.125 0.245 383 H LEU 97 H LEU 97 -0.158 28.087 -5.558 384 HA LEU 97 HA LEU 97 1.632 26.087 -4.775 385 HB2 LEU 97 HB2 LEU 97 -0.806 26.401 -4.154 386 HB3 LEU 97 HB3 LEU 97 -1.231 25.695 -5.717 387 HG LEU 97 HG LEU 97 -0.044 23.574 -5.013 388 HD11 LEU 97 HD11 LEU 97 0.125 24.988 -2.315 389 HD12 LEU 97 HD12 LEU 97 0.405 23.255 -2.587 390 HD13 LEU 97 HD13 LEU 97 1.502 24.444 -3.296 391 HD21 LEU 97 HD21 LEU 97 -2.474 23.923 -4.771 392 HD22 LEU 97 HD22 LEU 97 -1.824 22.857 -3.509 393 HD23 LEU 97 HD23 LEU 97 -2.203 24.553 -3.126 394 H ARG 98 H ARG 98 2.323 24.074 -5.716 395 HA ARG 98 HA ARG 98 1.941 23.762 -8.671 396 HB2 ARG 98 HB2 ARG 98 4.319 24.223 -7.518 397 HB3 ARG 98 HB3 ARG 98 4.275 22.476 -7.271 398 HG2 ARG 98 HG2 ARG 98 3.867 22.190 -9.744 399 HG3 ARG 98 HG3 ARG 98 3.915 23.956 -9.919 400 HD2 ARG 98 HD2 ARG 98 6.283 23.867 -8.973 401 HD3 ARG 98 HD3 ARG 98 6.180 22.097 -9.123 402 HE ARG 98 HE ARG 98 5.444 23.494 -11.586 403 HH11 ARG 98 HH11 ARG 98 8.303 22.423 -9.850 404 HH12 ARG 98 HH12 ARG 98 9.268 22.399 -11.300 405 HH21 ARG 98 HH21 ARG 98 6.687 23.433 -13.351 406 HH22 ARG 98 HH22 ARG 98 8.364 22.963 -13.255 407 H LEU 99 H LEU 99 1.668 21.661 -9.524 408 HA LEU 99 HA LEU 99 0.079 19.888 -7.774 409 HB2 LEU 99 HB2 LEU 99 -0.624 21.000 -10.037 410 HB3 LEU 99 HB3 LEU 99 0.397 19.796 -10.778 411 HG LEU 99 HG LEU 99 -2.198 19.309 -9.227 412 HD11 LEU 99 HD11 LEU 99 -1.267 18.834 -12.097 413 HD12 LEU 99 HD12 LEU 99 -2.816 18.293 -11.451 414 HD13 LEU 99 HD13 LEU 99 -2.464 20.030 -11.570 415 HD21 LEU 99 HD21 LEU 99 -0.744 17.550 -8.589 416 HD22 LEU 99 HD22 LEU 99 -1.978 16.999 -9.700 417 HD23 LEU 99 HD23 LEU 99 -0.305 17.241 -10.301 418 H ASP 100 H ASP 100 1.061 18.056 -6.943 419 HA ASP 100 HA ASP 100 3.043 16.554 -8.607 420 HB2 ASP 100 HB2 ASP 100 3.370 17.421 -5.715 421 HB3 ASP 100 HB3 ASP 100 4.293 16.112 -6.448 422 H MET 101 H MET 101 2.120 14.654 -9.026 423 HA MET 101 HA MET 101 1.150 12.934 -6.847 424 HB2 MET 101 HB2 MET 101 -1.024 12.480 -8.274 425 HB3 MET 101 HB3 MET 101 -0.916 13.759 -7.101 426 HG2 MET 101 HG2 MET 101 -2.054 14.644 -8.933 427 HG3 MET 101 HG3 MET 101 -0.466 15.368 -8.894 428 HE1 MET 101 HE1 MET 101 -2.227 15.816 -11.496 429 HE2 MET 101 HE2 MET 101 -2.363 14.418 -12.581 430 HE3 MET 101 HE3 MET 101 -3.130 14.368 -10.982 431 H SER 102 H SER 102 3.402 12.528 -7.970 432 HA SER 102 HA SER 102 3.311 10.285 -9.853 433 HB2 SER 102 HB2 SER 102 5.371 11.575 -9.443 434 HB3 SER 102 HB3 SER 102 5.363 11.070 -7.743 435 HG SER 102 HG SER 102 6.728 9.779 -9.180 436 H ASP 103 H ASP 103 3.649 8.046 -9.191 437 HA ASP 103 HA ASP 103 1.725 7.047 -7.400 438 HB2 ASP 103 HB2 ASP 103 4.304 5.765 -8.391 439 HB3 ASP 103 HB3 ASP 103 2.973 4.901 -7.630 440 H LYS 104 H LYS 104 5.157 7.784 -6.755 441 HA LYS 104 HA LYS 104 5.237 6.761 -4.045 442 HB2 LYS 104 HB2 LYS 104 6.898 8.831 -5.553 443 HB3 LYS 104 HB3 LYS 104 7.149 8.496 -3.847 444 HG2 LYS 104 HG2 LYS 104 8.746 7.239 -5.028 445 HG3 LYS 104 HG3 LYS 104 7.585 6.111 -4.332 446 HD2 LYS 104 HD2 LYS 104 6.555 5.741 -6.527 447 HD3 LYS 104 HD3 LYS 104 7.563 7.027 -7.246 448 HE2 LYS 104 HE2 LYS 104 9.606 5.723 -6.641 449 HE3 LYS 104 HE3 LYS 104 8.587 4.442 -5.976 450 HZ1 LYS 104 HZ1 LYS 104 8.595 5.309 -8.830 451 HZ2 LYS 104 HZ2 LYS 104 9.277 3.944 -8.258 452 HZ3 LYS 104 HZ3 LYS 104 7.656 4.112 -8.219 453 H ALA 105 H ALA 105 4.150 9.923 -5.333 454 HA ALA 105 HA ALA 105 3.766 11.135 -2.713 455 HB1 ALA 105 HB1 ALA 105 2.514 11.830 -5.391 456 HB2 ALA 105 HB2 ALA 105 2.540 12.837 -3.934 457 HB3 ALA 105 HB3 ALA 105 4.056 12.467 -4.778 458 H ILE 106 H ILE 106 1.727 9.240 -4.953 459 HA ILE 106 HA ILE 106 -0.628 9.440 -3.279 460 HB ILE 106 HB ILE 106 0.164 7.599 -5.548 461 HG12 ILE 106 HG12 ILE 106 -1.910 8.596 -6.537 462 HG13 ILE 106 HG13 ILE 106 -2.131 9.563 -5.073 463 HG21 ILE 106 HG21 ILE 106 -2.344 7.269 -3.835 464 HG22 ILE 106 HG22 ILE 106 -2.095 6.549 -5.444 465 HG23 ILE 106 HG23 ILE 106 -1.066 6.064 -4.107 466 HD11 ILE 106 HD11 ILE 106 0.243 9.718 -6.941 467 HD12 ILE 106 HD12 ILE 106 -1.147 10.825 -6.918 468 HD13 ILE 106 HD13 ILE 106 -0.035 10.785 -5.537 469 H PHE 107 H PHE 107 1.888 6.879 -3.426 470 HA PHE 107 HA PHE 107 0.645 5.442 -1.259 471 HB2 PHE 107 HB2 PHE 107 3.568 5.213 -1.966 472 HB3 PHE 107 HB3 PHE 107 2.512 4.016 -1.192 473 HD1 PHE 107 HD1 PHE 107 0.086 4.223 -2.979 474 HD2 PHE 107 HD2 PHE 107 4.298 3.953 -3.869 475 HE1 PHE 107 HE1 PHE 107 -0.448 3.323 -5.188 476 HE2 PHE 107 HE2 PHE 107 3.756 2.971 -6.084 477 HZ PHE 107 HZ PHE 107 1.382 2.679 -6.771 478 H ARG 108 H ARG 108 3.018 8.101 -1.185 479 HA ARG 108 HA ARG 108 3.570 7.968 1.641 480 HB2 ARG 108 HB2 ARG 108 4.943 9.217 0.018 481 HB3 ARG 108 HB3 ARG 108 3.614 10.354 -0.261 482 HG2 ARG 108 HG2 ARG 108 3.727 11.077 2.107 483 HG3 ARG 108 HG3 ARG 108 5.012 9.887 2.411 484 HD2 ARG 108 HD2 ARG 108 6.468 11.046 0.785 485 HD3 ARG 108 HD3 ARG 108 5.173 12.223 0.460 486 HE ARG 108 HE ARG 108 5.681 12.171 3.267 487 HH11 ARG 108 HH11 ARG 108 7.320 13.277 0.372 488 HH12 ARG 108 HH12 ARG 108 8.202 14.509 1.233 489 HH21 ARG 108 HH21 ARG 108 6.835 13.757 4.304 490 HH22 ARG 108 HH22 ARG 108 7.931 14.768 3.408 491 H ARG 109 H ARG 109 1.054 9.798 -0.178 492 HA ARG 109 HA ARG 109 -0.110 10.865 2.318 493 HB2 ARG 109 HB2 ARG 109 -1.093 10.930 -0.571 494 HB3 ARG 109 HB3 ARG 109 -1.841 11.798 0.766 495 HG2 ARG 109 HG2 ARG 109 0.986 12.263 -0.294 496 HG3 ARG 109 HG3 ARG 109 -0.429 13.275 -0.586 497 HD2 ARG 109 HD2 ARG 109 -0.574 13.770 1.843 498 HD3 ARG 109 HD3 ARG 109 0.871 12.768 2.122 499 HE ARG 109 HE ARG 109 1.447 14.748 0.135 500 HH11 ARG 109 HH11 ARG 109 0.952 14.571 3.604 501 HH12 ARG 109 HH12 ARG 109 1.970 15.947 3.913 502 HH21 ARG 109 HH21 ARG 109 2.735 16.504 0.601 503 HH22 ARG 109 HH22 ARG 109 2.945 17.015 2.250 504 H TYR 110 H TYR 110 -0.817 8.155 0.231 505 HA TYR 110 HA TYR 110 -3.072 7.299 1.994 506 HB2 TYR 110 HB2 TYR 110 -2.951 7.040 -1.021 507 HB3 TYR 110 HB3 TYR 110 -4.304 6.709 0.048 508 HD1 TYR 110 HD1 TYR 110 -5.160 8.784 1.492 509 HD2 TYR 110 HD2 TYR 110 -2.822 9.093 -2.112 510 HE1 TYR 110 HE1 TYR 110 -6.059 11.074 1.109 511 HE2 TYR 110 HE2 TYR 110 -3.745 11.381 -2.513 512 HH TYR 110 HH TYR 110 -6.072 12.926 -0.273 513 HA PRO 111 HA PRO 111 0.348 4.193 1.657 514 HB2 PRO 111 HB2 PRO 111 0.375 3.257 4.238 515 HB3 PRO 111 HB3 PRO 111 1.120 4.803 3.731 516 HG2 PRO 111 HG2 PRO 111 -1.640 4.374 4.929 517 HG3 PRO 111 HG3 PRO 111 -0.376 5.537 5.454 518 HD2 PRO 111 HD2 PRO 111 -2.385 6.310 3.826 519 HD3 PRO 111 HD3 PRO 111 -0.719 6.907 3.547 520 H HIS 112 H HIS 112 -2.997 3.689 2.218 521 HA HIS 112 HA HIS 112 -2.853 0.767 2.286 522 HB2 HIS 112 HB2 HIS 112 -5.245 0.868 2.406 523 HB3 HIS 112 HB3 HIS 112 -4.577 2.072 3.502 524 HD2 HIS 112 HD2 HIS 112 -7.080 1.682 0.798 525 HE1 HIS 112 HE1 HIS 112 -6.275 5.854 0.756 526 HE2 HIS 112 HE2 HIS 112 -7.819 4.056 -0.101 527 H LEU 113 H LEU 113 -2.590 3.018 -0.286 528 HA LEU 113 HA LEU 113 -3.855 1.284 -2.273 529 HB2 LEU 113 HB2 LEU 113 -2.183 3.806 -2.460 530 HB3 LEU 113 HB3 LEU 113 -2.549 2.849 -3.885 531 HG LEU 113 HG LEU 113 -4.095 4.748 -3.673 532 HD11 LEU 113 HD11 LEU 113 -5.590 2.144 -3.152 533 HD12 LEU 113 HD12 LEU 113 -6.210 3.611 -3.891 534 HD13 LEU 113 HD13 LEU 113 -4.952 2.658 -4.733 535 HD21 LEU 113 HD21 LEU 113 -4.119 4.855 -1.194 536 HD22 LEU 113 HD22 LEU 113 -5.740 4.881 -1.942 537 HD23 LEU 113 HD23 LEU 113 -5.142 3.404 -1.182 538 H ARG 114 H ARG 114 -0.484 1.901 -1.320 539 HA ARG 114 HA ARG 114 1.470 0.829 -1.643 540 HB2 ARG 114 HB2 ARG 114 -0.254 -1.662 -1.781 541 HB3 ARG 114 HB3 ARG 114 1.474 -1.603 -1.440 542 HG2 ARG 114 HG2 ARG 114 1.040 -0.269 0.614 543 HG3 ARG 114 HG3 ARG 114 -0.709 -0.373 0.301 544 HD2 ARG 114 HD2 ARG 114 -0.606 -2.824 0.429 545 HD3 ARG 114 HD3 ARG 114 1.142 -2.743 0.753 546 HE ARG 114 HE ARG 114 -0.074 -1.112 2.680 547 HH11 ARG 114 HH11 ARG 114 -0.159 -4.532 1.904 548 HH12 ARG 114 HH12 ARG 114 -0.519 -4.990 3.545 549 HH21 ARG 114 HH21 ARG 114 -0.532 -1.770 4.754 550 HH22 ARG 114 HH22 ARG 114 -0.720 -3.460 5.114 Start of MODEL 11 1 H1 MET 1 H1 MET 1 10.836 32.589 -9.881 2 H2 MET 1 H2 MET 1 11.312 31.188 -9.190 3 H3 MET 1 H3 MET 1 9.755 31.689 -9.050 4 HA MET 1 HA MET 1 11.076 30.893 -11.580 5 HB2 MET 1 HB2 MET 1 8.895 29.414 -10.017 6 HB3 MET 1 HB3 MET 1 9.431 29.024 -11.646 7 HG2 MET 1 HG2 MET 1 10.511 27.481 -10.306 8 HG3 MET 1 HG3 MET 1 11.758 28.643 -10.734 9 HE1 MET 1 HE1 MET 1 13.337 27.588 -8.886 10 HE2 MET 1 HE2 MET 1 12.855 27.337 -7.194 11 HE3 MET 1 HE3 MET 1 12.065 26.410 -8.489 12 H ARG 2 H ARG 2 9.768 30.950 -13.483 13 HA ARG 2 HA ARG 2 7.149 32.336 -13.398 14 HB2 ARG 2 HB2 ARG 2 8.906 34.107 -13.455 15 HB3 ARG 2 HB3 ARG 2 9.556 33.414 -14.942 16 HG2 ARG 2 HG2 ARG 2 7.496 33.982 -16.154 17 HG3 ARG 2 HG3 ARG 2 6.697 34.447 -14.643 18 HD2 ARG 2 HD2 ARG 2 7.377 36.441 -15.840 19 HD3 ARG 2 HD3 ARG 2 8.297 36.289 -14.336 20 HE ARG 2 HE ARG 2 9.625 35.157 -16.706 21 HH11 ARG 2 HH11 ARG 2 9.232 38.136 -14.899 22 HH12 ARG 2 HH12 ARG 2 10.733 38.798 -15.488 23 HH21 ARG 2 HH21 ARG 2 11.534 36.053 -17.405 24 HH22 ARG 2 HH22 ARG 2 11.992 37.646 -16.881 25 H GLY 3 H GLY 3 5.866 31.982 -15.215 26 HA2 GLY 3 HA2 GLY 3 5.106 30.991 -17.153 27 HA3 GLY 3 HA3 GLY 3 6.770 30.649 -17.621 28 H SER 4 H SER 4 5.824 29.390 -14.541 29 HA SER 4 HA SER 4 5.837 26.602 -15.564 30 HB2 SER 4 HB2 SER 4 6.533 26.092 -13.208 31 HB3 SER 4 HB3 SER 4 7.656 27.111 -14.117 32 HG SER 4 HG SER 4 7.156 27.826 -11.909 33 H HIS 5 H HIS 5 4.766 25.081 -13.854 34 HA HIS 5 HA HIS 5 2.880 24.109 -13.075 35 HB2 HIS 5 HB2 HIS 5 1.818 26.805 -12.229 36 HB3 HIS 5 HB3 HIS 5 1.565 25.237 -11.472 37 HD2 HIS 5 HD2 HIS 5 4.480 24.208 -10.957 38 HE1 HIS 5 HE1 HIS 5 5.323 27.986 -9.164 39 HE2 HIS 5 HE2 HIS 5 6.127 25.579 -9.426 40 H HIS 6 H HIS 6 0.192 24.817 -12.955 41 HA HIS 6 HA HIS 6 -1.692 24.495 -14.161 42 HB2 HIS 6 HB2 HIS 6 -1.133 26.945 -14.540 43 HB3 HIS 6 HB3 HIS 6 -0.641 26.492 -16.167 44 HD2 HIS 6 HD2 HIS 6 -2.600 26.020 -17.920 45 HE1 HIS 6 HE1 HIS 6 -5.930 26.524 -15.306 46 HE2 HIS 6 HE2 HIS 6 -5.222 26.210 -17.729 47 H HIS 7 H HIS 7 -0.417 22.386 -14.395 48 HA HIS 7 HA HIS 7 -0.720 21.411 -17.187 49 HB2 HIS 7 HB2 HIS 7 1.692 22.010 -16.646 50 HB3 HIS 7 HB3 HIS 7 1.661 20.755 -15.413 51 HD2 HIS 7 HD2 HIS 7 3.655 19.514 -16.785 52 HE1 HIS 7 HE1 HIS 7 1.279 18.227 -20.086 53 HE2 HIS 7 HE2 HIS 7 3.527 17.968 -18.918 54 H HIS 8 H HIS 8 -0.200 18.823 -16.918 55 HA HIS 8 HA HIS 8 -1.073 16.817 -16.347 56 HB2 HIS 8 HB2 HIS 8 -0.895 17.796 -13.489 57 HB3 HIS 8 HB3 HIS 8 -0.837 16.132 -14.055 58 HD2 HIS 8 HD2 HIS 8 1.372 15.638 -15.852 59 HE1 HIS 8 HE1 HIS 8 3.899 18.384 -13.786 60 HE2 HIS 8 HE2 HIS 8 3.846 16.450 -15.442 61 H HIS 9 H HIS 9 -3.087 18.757 -17.013 62 HA HIS 9 HA HIS 9 -5.445 18.435 -15.419 63 HB2 HIS 9 HB2 HIS 9 -5.255 20.228 -17.037 64 HB3 HIS 9 HB3 HIS 9 -5.041 19.077 -18.362 65 HD2 HIS 9 HD2 HIS 9 -7.175 18.359 -19.638 66 HE1 HIS 9 HE1 HIS 9 -10.152 19.527 -16.815 67 HE2 HIS 9 HE2 HIS 9 -9.756 18.577 -19.148 68 H HIS 10 H HIS 10 -7.170 17.065 -15.523 69 HA HIS 10 HA HIS 10 -7.327 14.949 -17.535 70 HB2 HIS 10 HB2 HIS 10 -5.897 13.971 -15.713 71 HB3 HIS 10 HB3 HIS 10 -7.233 14.209 -14.583 72 HD2 HIS 10 HD2 HIS 10 -7.896 11.707 -14.123 73 HE1 HIS 10 HE1 HIS 10 -8.587 10.430 -18.133 74 HE2 HIS 10 HE2 HIS 10 -8.780 9.773 -15.680 75 H GLY 11 H GLY 11 -9.401 13.858 -17.544 76 HA2 GLY 11 HA2 GLY 11 -11.641 14.606 -15.956 77 HA3 GLY 11 HA3 GLY 11 -11.596 15.649 -17.380 78 H SER 12 H SER 12 -13.741 14.495 -17.505 79 HA SER 12 HA SER 12 -15.223 13.086 -18.416 80 HB2 SER 12 HB2 SER 12 -13.770 13.463 -20.454 81 HB3 SER 12 HB3 SER 12 -13.079 11.857 -20.149 82 HG SER 12 HG SER 12 -14.911 11.832 -21.597 83 H GLY 58 H GLY 58 -15.806 10.720 -18.835 84 HA2 GLY 58 HA2 GLY 58 -16.307 8.692 -17.824 85 HA3 GLY 58 HA3 GLY 58 -14.633 8.618 -17.278 86 H ALA 59 H ALA 59 -15.440 7.640 -15.310 87 HA ALA 59 HA ALA 59 -16.966 9.270 -13.420 88 HB1 ALA 59 HB1 ALA 59 -15.544 6.603 -13.083 89 HB2 ALA 59 HB2 ALA 59 -16.627 7.369 -11.902 90 HB3 ALA 59 HB3 ALA 59 -17.263 6.841 -13.471 91 H LEU 60 H LEU 60 -16.146 10.648 -11.946 92 HA LEU 60 HA LEU 60 -13.241 11.041 -11.671 93 HB2 LEU 60 HB2 LEU 60 -15.728 12.580 -10.899 94 HB3 LEU 60 HB3 LEU 60 -14.234 12.889 -10.037 95 HG LEU 60 HG LEU 60 -13.056 13.307 -12.194 96 HD11 LEU 60 HD11 LEU 60 -15.861 13.229 -13.384 97 HD12 LEU 60 HD12 LEU 60 -14.432 13.923 -14.184 98 HD13 LEU 60 HD13 LEU 60 -14.482 12.198 -13.831 99 HD21 LEU 60 HD21 LEU 60 -13.916 15.139 -10.780 100 HD22 LEU 60 HD22 LEU 60 -14.010 15.563 -12.494 101 HD23 LEU 60 HD23 LEU 60 -15.480 15.067 -11.624 102 H ALA 61 H ALA 61 -12.604 11.657 -9.271 103 HA ALA 61 HA ALA 61 -11.955 9.213 -8.206 104 HB1 ALA 61 HB1 ALA 61 -12.011 11.915 -6.802 105 HB2 ALA 61 HB2 ALA 61 -11.108 10.486 -6.264 106 HB3 ALA 61 HB3 ALA 61 -10.687 11.264 -7.795 107 H ALA 62 H ALA 62 -12.620 7.820 -6.729 108 HA ALA 62 HA ALA 62 -14.985 8.423 -5.059 109 HB1 ALA 62 HB1 ALA 62 -13.777 5.735 -5.852 110 HB2 ALA 62 HB2 ALA 62 -15.278 5.970 -4.938 111 HB3 ALA 62 HB3 ALA 62 -15.184 6.500 -6.628 112 H LEU 63 H LEU 63 -15.149 7.516 -2.934 113 HA LEU 63 HA LEU 63 -12.577 7.384 -1.429 114 HB2 LEU 63 HB2 LEU 63 -15.100 8.920 -0.686 115 HB3 LEU 63 HB3 LEU 63 -13.723 8.678 0.382 116 HG LEU 63 HG LEU 63 -13.626 10.237 -2.241 117 HD11 LEU 63 HD11 LEU 63 -13.641 11.194 0.655 118 HD12 LEU 63 HD12 LEU 63 -13.476 12.214 -0.794 119 HD13 LEU 63 HD13 LEU 63 -14.989 11.345 -0.497 120 HD21 LEU 63 HD21 LEU 63 -11.426 9.322 -1.699 121 HD22 LEU 63 HD22 LEU 63 -11.447 11.051 -1.312 122 HD23 LEU 63 HD23 LEU 63 -11.584 9.857 -0.012 123 H HIS 64 H HIS 64 -12.551 6.103 0.387 124 HA HIS 64 HA HIS 64 -14.618 4.066 0.845 125 HB2 HIS 64 HB2 HIS 64 -12.202 5.018 2.400 126 HB3 HIS 64 HB3 HIS 64 -13.256 3.724 2.968 127 HD2 HIS 64 HD2 HIS 64 -10.183 4.288 0.966 128 HE1 HIS 64 HE1 HIS 64 -11.439 0.340 -0.047 129 HE2 HIS 64 HE2 HIS 64 -9.512 1.995 -0.160 130 H ALA 65 H ALA 65 -16.439 4.320 2.072 131 HA ALA 65 HA ALA 65 -16.925 6.940 3.336 132 HB1 ALA 65 HB1 ALA 65 -18.766 4.575 2.798 133 HB2 ALA 65 HB2 ALA 65 -19.258 6.200 3.318 134 HB3 ALA 65 HB3 ALA 65 -18.516 5.974 1.724 135 H GLU 66 H GLU 66 -16.235 3.686 4.431 136 HA GLU 66 HA GLU 66 -16.757 4.413 7.278 137 HB2 GLU 66 HB2 GLU 66 -17.796 1.932 5.841 138 HB3 GLU 66 HB3 GLU 66 -17.827 2.180 7.587 139 HG2 GLU 66 HG2 GLU 66 -19.248 4.214 7.252 140 HG3 GLU 66 HG3 GLU 66 -19.321 3.847 5.525 141 H GLY 67 H GLY 67 -15.825 2.851 8.819 142 HA2 GLY 67 HA2 GLY 67 -14.220 1.384 9.617 143 HA3 GLY 67 HA3 GLY 67 -13.887 0.896 7.960 144 HA PRO 68 HA PRO 68 -10.206 2.991 10.008 145 HB2 PRO 68 HB2 PRO 68 -8.313 1.476 8.555 146 HB3 PRO 68 HB3 PRO 68 -8.956 1.099 10.190 147 HG2 PRO 68 HG2 PRO 68 -9.839 0.043 7.497 148 HG3 PRO 68 HG3 PRO 68 -9.627 -0.858 9.033 149 HD2 PRO 68 HD2 PRO 68 -12.063 -0.123 8.208 150 HD3 PRO 68 HD3 PRO 68 -11.633 0.045 9.937 151 H LEU 69 H LEU 69 -10.877 2.404 6.609 152 HA LEU 69 HA LEU 69 -8.952 4.459 5.687 153 HB2 LEU 69 HB2 LEU 69 -10.687 2.455 4.227 154 HB3 LEU 69 HB3 LEU 69 -9.502 3.526 3.463 155 HG LEU 69 HG LEU 69 -8.875 1.281 5.431 156 HD11 LEU 69 HD11 LEU 69 -8.441 1.555 2.443 157 HD12 LEU 69 HD12 LEU 69 -7.820 0.227 3.453 158 HD13 LEU 69 HD13 LEU 69 -9.567 0.455 3.253 159 HD21 LEU 69 HD21 LEU 69 -7.223 3.046 5.715 160 HD22 LEU 69 HD22 LEU 69 -6.505 1.713 4.813 161 HD23 LEU 69 HD23 LEU 69 -7.021 3.186 3.954 162 H ALA 70 H ALA 70 -12.020 4.712 6.860 163 HA ALA 70 HA ALA 70 -13.552 6.026 4.969 164 HB1 ALA 70 HB1 ALA 70 -13.296 6.687 7.928 165 HB2 ALA 70 HB2 ALA 70 -14.641 7.163 6.869 166 HB3 ALA 70 HB3 ALA 70 -14.349 5.450 7.211 167 H GLY 71 H GLY 71 -13.463 7.854 3.842 168 HA2 GLY 71 HA2 GLY 71 -13.049 10.159 3.439 169 HA3 GLY 71 HA3 GLY 71 -11.836 10.180 4.731 170 H LEU 72 H LEU 72 -10.958 7.487 3.067 171 HA LEU 72 HA LEU 72 -8.930 9.056 1.551 172 HB2 LEU 72 HB2 LEU 72 -8.876 6.199 2.551 173 HB3 LEU 72 HB3 LEU 72 -7.523 7.114 1.909 174 HG LEU 72 HG LEU 72 -8.901 7.569 4.569 175 HD11 LEU 72 HD11 LEU 72 -6.052 6.773 3.843 176 HD12 LEU 72 HD12 LEU 72 -6.727 6.941 5.479 177 HD13 LEU 72 HD13 LEU 72 -7.319 5.666 4.401 178 HD21 LEU 72 HD21 LEU 72 -8.303 9.770 3.721 179 HD22 LEU 72 HD22 LEU 72 -7.162 9.292 4.978 180 HD23 LEU 72 HD23 LEU 72 -6.678 9.194 3.271 181 HA PRO 73 HA PRO 73 -10.078 7.572 -2.548 182 HB2 PRO 73 HB2 PRO 73 -7.660 6.794 -3.606 183 HB3 PRO 73 HB3 PRO 73 -8.163 8.497 -3.449 184 HG2 PRO 73 HG2 PRO 73 -6.466 6.860 -1.527 185 HG3 PRO 73 HG3 PRO 73 -6.093 8.466 -2.206 186 HD2 PRO 73 HD2 PRO 73 -7.144 8.286 0.224 187 HD3 PRO 73 HD3 PRO 73 -7.835 9.482 -0.888 188 H VAL 74 H VAL 74 -10.704 5.715 -3.568 189 HA VAL 74 HA VAL 74 -10.127 3.162 -2.198 190 HB VAL 74 HB VAL 74 -11.861 3.631 -4.649 191 HG11 VAL 74 HG11 VAL 74 -11.669 1.296 -2.711 192 HG12 VAL 74 HG12 VAL 74 -12.873 1.480 -4.008 193 HG13 VAL 74 HG13 VAL 74 -11.170 1.289 -4.419 194 HG21 VAL 74 HG21 VAL 74 -12.776 4.875 -2.727 195 HG22 VAL 74 HG22 VAL 74 -13.760 3.452 -3.057 196 HG23 VAL 74 HG23 VAL 74 -12.614 3.431 -1.699 197 H THR 75 H THR 75 -9.271 4.823 -5.212 198 HA THR 75 HA THR 75 -7.205 2.721 -5.766 199 HB THR 75 HB THR 75 -7.749 2.703 -8.030 200 HG1 THR 75 HG1 THR 75 -9.272 4.331 -8.870 201 HG21 THR 75 HG21 THR 75 -10.485 3.246 -6.815 202 HG22 THR 75 HG22 THR 75 -10.124 2.319 -8.286 203 HG23 THR 75 HG23 THR 75 -9.624 1.697 -6.702 204 H ARG 76 H ARG 76 -5.503 3.372 -7.335 205 HA ARG 76 HA ARG 76 -4.124 5.789 -6.523 206 HB2 ARG 76 HB2 ARG 76 -3.727 4.005 -8.976 207 HB3 ARG 76 HB3 ARG 76 -2.607 5.267 -8.444 208 HG2 ARG 76 HG2 ARG 76 -2.284 4.071 -6.284 209 HG3 ARG 76 HG3 ARG 76 -3.331 2.765 -6.847 210 HD2 ARG 76 HD2 ARG 76 -0.722 3.636 -8.146 211 HD3 ARG 76 HD3 ARG 76 -0.939 2.218 -7.125 212 HE ARG 76 HE ARG 76 -2.511 1.296 -8.800 213 HH11 ARG 76 HH11 ARG 76 -0.127 3.644 -10.011 214 HH12 ARG 76 HH12 ARG 76 -0.273 3.009 -11.625 215 HH21 ARG 76 HH21 ARG 76 -2.593 0.599 -10.889 216 HH22 ARG 76 HH22 ARG 76 -1.600 1.347 -12.104 217 H SER 77 H SER 77 -6.313 5.090 -9.217 218 HA SER 77 HA SER 77 -5.969 7.611 -10.591 219 HB2 SER 77 HB2 SER 77 -6.977 5.566 -11.594 220 HB3 SER 77 HB3 SER 77 -8.401 5.786 -10.559 221 HG SER 77 HG SER 77 -8.634 6.730 -12.681 222 H ASP 78 H ASP 78 -8.325 6.516 -8.049 223 HA ASP 78 HA ASP 78 -9.677 9.013 -7.814 224 HB2 ASP 78 HB2 ASP 78 -9.055 7.143 -5.502 225 HB3 ASP 78 HB3 ASP 78 -10.328 8.361 -5.580 226 H ALA 79 H ALA 79 -6.769 7.800 -6.085 227 HA ALA 79 HA ALA 79 -6.332 10.076 -4.462 228 HB1 ALA 79 HB1 ALA 79 -4.261 8.165 -5.636 229 HB2 ALA 79 HB2 ALA 79 -4.126 9.122 -4.145 230 HB3 ALA 79 HB3 ALA 79 -5.285 7.783 -4.250 231 H ARG 80 H ARG 80 -4.946 9.360 -7.707 232 HA ARG 80 HA ARG 80 -3.445 11.790 -7.986 233 HB2 ARG 80 HB2 ARG 80 -3.102 9.705 -9.259 234 HB3 ARG 80 HB3 ARG 80 -4.651 9.922 -10.082 235 HG2 ARG 80 HG2 ARG 80 -3.837 11.900 -11.230 236 HG3 ARG 80 HG3 ARG 80 -2.354 11.915 -10.255 237 HD2 ARG 80 HD2 ARG 80 -1.592 9.831 -11.246 238 HD3 ARG 80 HD3 ARG 80 -3.130 9.611 -12.073 239 HE ARG 80 HE ARG 80 -2.612 11.271 -13.641 240 HH11 ARG 80 HH11 ARG 80 0.099 11.137 -11.379 241 HH12 ARG 80 HH12 ARG 80 1.217 11.671 -12.601 242 HH21 ARG 80 HH21 ARG 80 -1.130 12.056 -15.071 243 HH22 ARG 80 HH22 ARG 80 0.529 12.245 -14.597 244 H VAL 81 H VAL 81 -6.824 11.070 -8.961 245 HA VAL 81 HA VAL 81 -7.241 13.771 -9.982 246 HB VAL 81 HB VAL 81 -9.145 11.507 -9.330 247 HG11 VAL 81 HG11 VAL 81 -9.803 14.234 -10.540 248 HG12 VAL 81 HG12 VAL 81 -10.882 12.825 -10.573 249 HG13 VAL 81 HG13 VAL 81 -10.458 13.570 -9.029 250 HG21 VAL 81 HG21 VAL 81 -7.711 11.212 -11.327 251 HG22 VAL 81 HG22 VAL 81 -9.406 11.442 -11.781 252 HG23 VAL 81 HG23 VAL 81 -8.256 12.787 -11.950 253 H LEU 82 H LEU 82 -7.845 12.297 -6.708 254 HA LEU 82 HA LEU 82 -9.107 14.648 -5.649 255 HB2 LEU 82 HB2 LEU 82 -7.448 12.432 -4.401 256 HB3 LEU 82 HB3 LEU 82 -8.144 13.720 -3.431 257 HG LEU 82 HG LEU 82 -9.892 12.071 -5.269 258 HD11 LEU 82 HD11 LEU 82 -9.259 11.444 -2.361 259 HD12 LEU 82 HD12 LEU 82 -10.370 10.557 -3.452 260 HD13 LEU 82 HD13 LEU 82 -8.633 10.564 -3.769 261 HD21 LEU 82 HD21 LEU 82 -10.909 14.121 -4.351 262 HD22 LEU 82 HD22 LEU 82 -11.665 12.671 -3.675 263 HD23 LEU 82 HD23 LEU 82 -10.495 13.593 -2.704 264 H ILE 83 H ILE 83 -5.607 13.758 -5.784 265 HA ILE 83 HA ILE 83 -4.690 16.219 -4.613 266 HB ILE 83 HB ILE 83 -3.299 14.376 -6.585 267 HG12 ILE 83 HG12 ILE 83 -2.783 14.555 -3.591 268 HG13 ILE 83 HG13 ILE 83 -4.021 13.484 -4.215 269 HG21 ILE 83 HG21 ILE 83 -2.268 16.704 -4.881 270 HG22 ILE 83 HG22 ILE 83 -1.192 15.505 -5.592 271 HG23 ILE 83 HG23 ILE 83 -2.156 16.539 -6.648 272 HD11 ILE 83 HD11 ILE 83 -1.058 13.327 -4.849 273 HD12 ILE 83 HD12 ILE 83 -2.040 12.178 -3.931 274 HD13 ILE 83 HD13 ILE 83 -2.321 12.364 -5.664 275 H PHE 84 H PHE 84 -5.362 15.364 -8.071 276 HA PHE 84 HA PHE 84 -4.564 17.868 -9.133 277 HB2 PHE 84 HB2 PHE 84 -5.074 15.907 -10.549 278 HB3 PHE 84 HB3 PHE 84 -6.761 15.991 -10.076 279 HD1 PHE 84 HD1 PHE 84 -4.314 18.633 -11.180 280 HD2 PHE 84 HD2 PHE 84 -8.102 16.700 -11.879 281 HE1 PHE 84 HE1 PHE 84 -4.814 20.285 -12.948 282 HE2 PHE 84 HE2 PHE 84 -8.607 18.364 -13.654 283 HZ PHE 84 HZ PHE 84 -6.976 20.176 -14.165 284 H ASN 85 H ASN 85 -7.865 16.884 -8.031 285 HA ASN 85 HA ASN 85 -9.073 19.422 -8.508 286 HB2 ASN 85 HB2 ASN 85 -10.305 17.296 -8.233 287 HB3 ASN 85 HB3 ASN 85 -9.800 17.191 -6.547 288 HD21 ASN 85 HD22 ASN 85 -11.049 18.306 -4.987 289 HD22 ASN 85 HD21 ASN 85 -12.377 19.360 -5.438 290 H GLU 86 H GLU 86 -7.438 18.137 -5.579 291 HA GLU 86 HA GLU 86 -7.904 20.360 -3.853 292 HB2 GLU 86 HB2 GLU 86 -7.017 18.129 -3.165 293 HB3 GLU 86 HB3 GLU 86 -5.495 18.505 -3.983 294 HG2 GLU 86 HG2 GLU 86 -5.332 20.557 -2.454 295 HG3 GLU 86 HG3 GLU 86 -6.700 19.890 -1.558 296 H TRP 87 H TRP 87 -4.994 19.716 -6.038 297 HA TRP 87 HA TRP 87 -3.798 22.236 -5.623 298 HB2 TRP 87 HB2 TRP 87 -2.596 20.505 -6.787 299 HB3 TRP 87 HB3 TRP 87 -3.852 20.373 -8.022 300 HD1 TRP 87 HD1 TRP 87 -1.060 22.723 -6.877 301 HE1 TRP 87 HE1 TRP 87 -0.487 24.399 -8.726 302 HE3 TRP 87 HE3 TRP 87 -4.790 21.538 -10.180 303 HZ2 TRP 87 HZ2 TRP 87 -1.561 25.157 -11.312 304 HZ3 TRP 87 HZ3 TRP 87 -5.046 22.815 -12.288 305 HH2 TRP 87 HH2 TRP 87 -3.469 24.630 -12.854 306 H GLU 88 H GLU 88 -6.325 21.306 -8.046 307 HA GLU 88 HA GLU 88 -6.263 23.766 -9.392 308 HB2 GLU 88 HB2 GLU 88 -7.392 21.488 -10.030 309 HB3 GLU 88 HB3 GLU 88 -8.791 22.119 -9.156 310 HG2 GLU 88 HG2 GLU 88 -8.128 24.266 -10.757 311 HG3 GLU 88 HG3 GLU 88 -7.549 22.948 -11.751 312 H GLU 89 H GLU 89 -8.464 22.811 -6.687 313 HA GLU 89 HA GLU 89 -9.888 25.300 -6.572 314 HB2 GLU 89 HB2 GLU 89 -10.693 23.202 -5.635 315 HB3 GLU 89 HB3 GLU 89 -9.370 23.138 -4.483 316 HG2 GLU 89 HG2 GLU 89 -11.390 25.415 -4.579 317 HG3 GLU 89 HG3 GLU 89 -11.691 23.929 -3.688 318 H ARG 90 H ARG 90 -7.038 24.112 -4.685 319 HA ARG 90 HA ARG 90 -6.699 26.519 -3.140 320 HB2 ARG 90 HB2 ARG 90 -4.681 24.475 -4.115 321 HB3 ARG 90 HB3 ARG 90 -4.340 25.703 -2.888 322 HG2 ARG 90 HG2 ARG 90 -6.482 23.560 -2.554 323 HG3 ARG 90 HG3 ARG 90 -4.782 23.358 -2.161 324 HD2 ARG 90 HD2 ARG 90 -5.881 23.930 -0.113 325 HD3 ARG 90 HD3 ARG 90 -5.021 25.394 -0.617 326 HE ARG 90 HE ARG 90 -7.879 25.055 -1.436 327 HH11 ARG 90 HH11 ARG 90 -5.822 26.582 0.975 328 HH12 ARG 90 HH12 ARG 90 -7.023 27.789 1.336 329 HH21 ARG 90 HH21 ARG 90 -9.264 26.627 -1.046 330 HH22 ARG 90 HH22 ARG 90 -8.990 27.764 0.263 331 H LYS 91 H LYS 91 -5.071 25.486 -6.101 332 HA LYS 91 HA LYS 91 -3.616 27.854 -6.637 333 HB2 LYS 91 HB2 LYS 91 -3.248 25.729 -7.779 334 HB3 LYS 91 HB3 LYS 91 -4.747 25.918 -8.693 335 HG2 LYS 91 HG2 LYS 91 -2.745 28.168 -8.829 336 HG3 LYS 91 HG3 LYS 91 -2.275 26.656 -9.570 337 HD2 LYS 91 HD2 LYS 91 -4.282 26.656 -11.002 338 HD3 LYS 91 HD3 LYS 91 -4.834 28.170 -10.260 339 HE2 LYS 91 HE2 LYS 91 -2.816 29.340 -11.048 340 HE3 LYS 91 HE3 LYS 91 -2.167 27.840 -11.717 341 HZ1 LYS 91 HZ1 LYS 91 -4.700 29.114 -12.654 342 HZ2 LYS 91 HZ2 LYS 91 -3.263 29.250 -13.415 343 HZ3 LYS 91 HZ3 LYS 91 -3.983 27.792 -13.324 344 H LYS 92 H LYS 92 -7.051 27.187 -7.687 345 HA LYS 92 HA LYS 92 -7.423 29.696 -8.978 346 HB2 LYS 92 HB2 LYS 92 -8.763 27.643 -9.162 347 HB3 LYS 92 HB3 LYS 92 -9.318 27.833 -7.495 348 HG2 LYS 92 HG2 LYS 92 -10.527 29.888 -8.112 349 HG3 LYS 92 HG3 LYS 92 -9.889 29.768 -9.778 350 HD2 LYS 92 HD2 LYS 92 -10.919 27.513 -9.996 351 HD3 LYS 92 HD3 LYS 92 -11.485 27.607 -8.338 352 HE2 LYS 92 HE2 LYS 92 -13.374 28.084 -9.736 353 HE3 LYS 92 HE3 LYS 92 -12.916 29.587 -8.935 354 HZ1 LYS 92 HZ1 LYS 92 -12.198 28.861 -11.741 355 HZ2 LYS 92 HZ2 LYS 92 -13.375 29.906 -11.317 356 HZ3 LYS 92 HZ3 LYS 92 -11.820 30.281 -11.015 357 H SER 93 H SER 93 -7.694 28.808 -5.512 358 HA SER 93 HA SER 93 -8.576 31.469 -4.715 359 HB2 SER 93 HB2 SER 93 -8.968 29.277 -3.492 360 HB3 SER 93 HB3 SER 93 -7.283 29.386 -2.939 361 HG SER 93 HG SER 93 -8.812 30.355 -1.461 362 H ASP 94 H ASP 94 -5.375 29.918 -4.890 363 HA ASP 94 HA ASP 94 -3.924 32.441 -4.400 364 HB2 ASP 94 HB2 ASP 94 -3.734 29.922 -2.719 365 HB3 ASP 94 HB3 ASP 94 -2.422 31.087 -2.839 366 HA PRO 95 HA PRO 95 -2.619 30.264 -8.025 367 HB2 PRO 95 HB2 PRO 95 -1.048 32.159 -9.264 368 HB3 PRO 95 HB3 PRO 95 -2.824 32.279 -9.082 369 HG2 PRO 95 HG2 PRO 95 -0.699 33.429 -7.222 370 HG3 PRO 95 HG3 PRO 95 -2.051 34.313 -8.027 371 HD2 PRO 95 HD2 PRO 95 -2.319 33.439 -5.516 372 HD3 PRO 95 HD3 PRO 95 -3.676 33.137 -6.654 373 H TRP 96 H TRP 96 -0.176 30.931 -5.696 374 HA TRP 96 HA TRP 96 2.172 30.282 -7.168 375 HB2 TRP 96 HB2 TRP 96 3.261 30.310 -5.050 376 HB3 TRP 96 HB3 TRP 96 2.007 31.526 -4.961 377 HD1 TRP 96 HD1 TRP 96 -0.284 30.720 -3.610 378 HE1 TRP 96 HE1 TRP 96 -0.590 29.147 -1.595 379 HE3 TRP 96 HE3 TRP 96 4.193 28.286 -3.831 380 HZ2 TRP 96 HZ2 TRP 96 0.890 27.016 -0.322 381 HZ3 TRP 96 HZ3 TRP 96 4.707 26.432 -2.243 382 HH2 TRP 96 HH2 TRP 96 3.065 25.795 -0.491 383 H LEU 97 H LEU 97 -0.207 28.073 -5.870 384 HA LEU 97 HA LEU 97 1.508 26.276 -4.701 385 HB2 LEU 97 HB2 LEU 97 -0.913 26.522 -4.263 386 HB3 LEU 97 HB3 LEU 97 -1.266 25.744 -5.811 387 HG LEU 97 HG LEU 97 -0.144 23.659 -4.984 388 HD11 LEU 97 HD11 LEU 97 -0.057 25.136 -2.314 389 HD12 LEU 97 HD12 LEU 97 0.252 23.403 -2.550 390 HD13 LEU 97 HD13 LEU 97 1.358 24.593 -3.235 391 HD21 LEU 97 HD21 LEU 97 -2.566 24.048 -4.822 392 HD22 LEU 97 HD22 LEU 97 -1.962 22.997 -3.525 393 HD23 LEU 97 HD23 LEU 97 -2.325 24.705 -3.181 394 H ARG 98 H ARG 98 2.506 24.376 -5.197 395 HA ARG 98 HA ARG 98 2.923 23.596 -8.022 396 HB2 ARG 98 HB2 ARG 98 4.158 22.767 -5.362 397 HB3 ARG 98 HB3 ARG 98 4.464 21.878 -6.843 398 HG2 ARG 98 HG2 ARG 98 6.268 23.402 -6.360 399 HG3 ARG 98 HG3 ARG 98 5.506 23.776 -7.902 400 HD2 ARG 98 HD2 ARG 98 4.435 25.734 -6.999 401 HD3 ARG 98 HD3 ARG 98 4.878 25.286 -5.335 402 HE ARG 98 HE ARG 98 7.318 25.439 -6.543 403 HH11 ARG 98 HH11 ARG 98 4.714 27.815 -6.393 404 HH12 ARG 98 HH12 ARG 98 5.848 29.138 -6.294 405 HH21 ARG 98 HH21 ARG 98 8.667 27.180 -6.461 406 HH22 ARG 98 HH22 ARG 98 8.020 28.785 -6.340 407 H LEU 99 H LEU 99 2.528 21.549 -8.858 408 HA LEU 99 HA LEU 99 0.445 19.881 -7.486 409 HB2 LEU 99 HB2 LEU 99 -0.210 21.269 -9.513 410 HB3 LEU 99 HB3 LEU 99 0.906 20.317 -10.452 411 HG LEU 99 HG LEU 99 -1.690 19.283 -9.122 412 HD11 LEU 99 HD11 LEU 99 -0.747 19.764 -12.005 413 HD12 LEU 99 HD12 LEU 99 -2.261 18.987 -11.571 414 HD13 LEU 99 HD13 LEU 99 -1.992 20.683 -11.155 415 HD21 LEU 99 HD21 LEU 99 -0.083 17.473 -9.141 416 HD22 LEU 99 HD22 LEU 99 -1.211 17.248 -10.467 417 HD23 LEU 99 HD23 LEU 99 0.420 17.851 -10.808 418 H ASP 100 H ASP 100 1.296 17.962 -6.816 419 HA ASP 100 HA ASP 100 3.094 16.432 -8.641 420 HB2 ASP 100 HB2 ASP 100 3.586 16.961 -5.686 421 HB3 ASP 100 HB3 ASP 100 4.347 15.656 -6.589 422 H MET 101 H MET 101 1.954 14.652 -9.158 423 HA MET 101 HA MET 101 0.973 12.907 -7.012 424 HB2 MET 101 HB2 MET 101 -1.279 12.607 -8.301 425 HB3 MET 101 HB3 MET 101 -1.034 13.873 -7.142 426 HG2 MET 101 HG2 MET 101 -2.312 14.676 -8.975 427 HG3 MET 101 HG3 MET 101 -0.799 15.531 -8.837 428 HE1 MET 101 HE1 MET 101 -2.633 15.923 -11.318 429 HE2 MET 101 HE2 MET 101 -2.477 14.753 -12.647 430 HE3 MET 101 HE3 MET 101 -3.308 14.290 -11.142 431 H SER 102 H SER 102 3.163 12.446 -8.321 432 HA SER 102 HA SER 102 2.729 10.157 -10.123 433 HB2 SER 102 HB2 SER 102 5.145 10.968 -8.456 434 HB3 SER 102 HB3 SER 102 5.104 9.681 -9.677 435 HG SER 102 HG SER 102 5.910 11.670 -10.537 436 H ASP 103 H ASP 103 3.229 7.935 -9.435 437 HA ASP 103 HA ASP 103 1.544 7.014 -7.463 438 HB2 ASP 103 HB2 ASP 103 4.066 5.735 -8.586 439 HB3 ASP 103 HB3 ASP 103 2.876 4.875 -7.613 440 H LYS 104 H LYS 104 5.031 7.686 -6.977 441 HA LYS 104 HA LYS 104 5.194 6.863 -4.259 442 HB2 LYS 104 HB2 LYS 104 7.225 8.113 -4.150 443 HB3 LYS 104 HB3 LYS 104 7.089 7.349 -5.735 444 HG2 LYS 104 HG2 LYS 104 6.308 9.581 -6.659 445 HG3 LYS 104 HG3 LYS 104 6.721 10.306 -5.104 446 HD2 LYS 104 HD2 LYS 104 8.619 8.832 -6.979 447 HD3 LYS 104 HD3 LYS 104 8.507 10.577 -6.823 448 HE2 LYS 104 HE2 LYS 104 9.336 8.694 -4.558 449 HE3 LYS 104 HE3 LYS 104 10.460 9.488 -5.651 450 HZ1 LYS 104 HZ1 LYS 104 8.624 10.933 -3.799 451 HZ2 LYS 104 HZ2 LYS 104 10.236 10.770 -3.626 452 HZ3 LYS 104 HZ3 LYS 104 9.647 11.651 -4.860 453 H ALA 105 H ALA 105 4.109 9.977 -5.555 454 HA ALA 105 HA ALA 105 3.729 11.267 -2.971 455 HB1 ALA 105 HB1 ALA 105 2.471 11.876 -5.666 456 HB2 ALA 105 HB2 ALA 105 2.494 12.934 -4.243 457 HB3 ALA 105 HB3 ALA 105 4.011 12.535 -5.070 458 H ILE 106 H ILE 106 1.671 9.300 -5.106 459 HA ILE 106 HA ILE 106 -0.675 9.547 -3.414 460 HB ILE 106 HB ILE 106 0.115 7.625 -5.617 461 HG12 ILE 106 HG12 ILE 106 -1.991 8.562 -6.619 462 HG13 ILE 106 HG13 ILE 106 -2.163 9.620 -5.210 463 HG21 ILE 106 HG21 ILE 106 -2.369 7.333 -3.870 464 HG22 ILE 106 HG22 ILE 106 -2.130 6.560 -5.455 465 HG23 ILE 106 HG23 ILE 106 -1.078 6.137 -4.114 466 HD11 ILE 106 HD11 ILE 106 0.165 9.614 -7.140 467 HD12 ILE 106 HD12 ILE 106 -1.198 10.745 -7.171 468 HD13 ILE 106 HD13 ILE 106 -0.059 10.778 -5.808 469 H PHE 107 H PHE 107 1.861 7.000 -3.504 470 HA PHE 107 HA PHE 107 0.671 5.579 -1.316 471 HB2 PHE 107 HB2 PHE 107 3.609 5.473 -2.002 472 HB3 PHE 107 HB3 PHE 107 2.609 4.245 -1.199 473 HD1 PHE 107 HD1 PHE 107 0.186 4.347 -3.039 474 HD2 PHE 107 HD2 PHE 107 4.419 4.126 -3.826 475 HE1 PHE 107 HE1 PHE 107 -0.282 3.274 -5.181 476 HE2 PHE 107 HE2 PHE 107 3.948 2.990 -5.982 477 HZ PHE 107 HZ PHE 107 1.599 2.574 -6.688 478 H ARG 108 H ARG 108 3.071 8.248 -1.275 479 HA ARG 108 HA ARG 108 3.519 8.151 1.580 480 HB2 ARG 108 HB2 ARG 108 3.942 10.252 -0.581 481 HB3 ARG 108 HB3 ARG 108 4.277 10.595 1.100 482 HG2 ARG 108 HG2 ARG 108 5.581 8.313 -0.443 483 HG3 ARG 108 HG3 ARG 108 6.291 9.912 -0.203 484 HD2 ARG 108 HD2 ARG 108 6.160 9.527 2.296 485 HD3 ARG 108 HD3 ARG 108 5.606 7.891 1.972 486 HE ARG 108 HE ARG 108 7.707 7.267 1.136 487 HH11 ARG 108 HH11 ARG 108 7.851 10.628 2.148 488 HH12 ARG 108 HH12 ARG 108 9.590 10.627 2.198 489 HH21 ARG 108 HH21 ARG 108 9.916 7.345 1.219 490 HH22 ARG 108 HH22 ARG 108 10.726 8.814 1.679 491 H ARG 109 H ARG 109 1.084 9.953 -0.359 492 HA ARG 109 HA ARG 109 -0.109 11.179 2.037 493 HB2 ARG 109 HB2 ARG 109 -1.017 10.785 -0.837 494 HB3 ARG 109 HB3 ARG 109 -2.115 11.384 0.411 495 HG2 ARG 109 HG2 ARG 109 -0.654 13.276 0.899 496 HG3 ARG 109 HG3 ARG 109 0.511 12.735 -0.332 497 HD2 ARG 109 HD2 ARG 109 -1.055 13.077 -2.100 498 HD3 ARG 109 HD3 ARG 109 -2.417 13.220 -0.984 499 HE ARG 109 HE ARG 109 -0.197 15.238 -1.111 500 HH11 ARG 109 HH11 ARG 109 -3.693 14.664 -0.978 501 HH12 ARG 109 HH12 ARG 109 -4.025 16.385 -0.956 502 HH21 ARG 109 HH21 ARG 109 -0.783 17.398 -1.067 503 HH22 ARG 109 HH22 ARG 109 -2.483 17.830 -1.070 504 H TYR 110 H TYR 110 -0.776 8.262 0.168 505 HA TYR 110 HA TYR 110 -2.916 7.431 2.080 506 HB2 TYR 110 HB2 TYR 110 -2.857 7.053 -0.922 507 HB3 TYR 110 HB3 TYR 110 -4.185 6.743 0.180 508 HD1 TYR 110 HD1 TYR 110 -4.939 8.909 1.626 509 HD2 TYR 110 HD2 TYR 110 -2.884 9.015 -2.155 510 HE1 TYR 110 HE1 TYR 110 -5.794 11.214 1.231 511 HE2 TYR 110 HE2 TYR 110 -3.774 11.314 -2.573 512 HH TYR 110 HH TYR 110 -5.843 13.025 -0.208 513 HA PRO 111 HA PRO 111 0.497 4.350 1.893 514 HB2 PRO 111 HB2 PRO 111 0.437 3.429 4.478 515 HB3 PRO 111 HB3 PRO 111 1.163 4.992 3.994 516 HG2 PRO 111 HG2 PRO 111 -1.634 4.497 5.075 517 HG3 PRO 111 HG3 PRO 111 -0.425 5.696 5.647 518 HD2 PRO 111 HD2 PRO 111 -2.382 6.404 3.926 519 HD3 PRO 111 HD3 PRO 111 -0.722 7.047 3.720 520 H HIS 112 H HIS 112 -2.869 3.775 2.356 521 HA HIS 112 HA HIS 112 -2.699 0.861 2.470 522 HB2 HIS 112 HB2 HIS 112 -5.069 0.912 2.397 523 HB3 HIS 112 HB3 HIS 112 -4.489 2.117 3.538 524 HD2 HIS 112 HD2 HIS 112 -6.844 1.698 0.736 525 HE1 HIS 112 HE1 HIS 112 -6.188 5.894 0.818 526 HE2 HIS 112 HE2 HIS 112 -7.671 4.074 -0.084 527 H LEU 113 H LEU 113 -2.283 3.098 -0.129 528 HA LEU 113 HA LEU 113 -3.431 1.332 -2.161 529 HB2 LEU 113 HB2 LEU 113 -1.929 3.957 -2.291 530 HB3 LEU 113 HB3 LEU 113 -2.214 3.003 -3.736 531 HG LEU 113 HG LEU 113 -3.864 4.790 -3.549 532 HD11 LEU 113 HD11 LEU 113 -5.234 2.121 -3.032 533 HD12 LEU 113 HD12 LEU 113 -5.928 3.559 -3.768 534 HD13 LEU 113 HD13 LEU 113 -4.624 2.675 -4.611 535 HD21 LEU 113 HD21 LEU 113 -3.892 4.888 -1.061 536 HD22 LEU 113 HD22 LEU 113 -5.502 4.885 -1.822 537 HD23 LEU 113 HD23 LEU 113 -4.873 3.414 -1.066 538 H ARG 114 H ARG 114 -0.103 1.813 -0.912 539 HA ARG 114 HA ARG 114 0.555 -0.765 -2.165 540 HB2 ARG 114 HB2 ARG 114 1.274 1.087 -3.758 541 HB3 ARG 114 HB3 ARG 114 2.414 1.611 -2.520 542 HG2 ARG 114 HG2 ARG 114 3.610 0.293 -4.097 543 HG3 ARG 114 HG3 ARG 114 3.467 -0.703 -2.642 544 HD2 ARG 114 HD2 ARG 114 1.620 -1.971 -3.667 545 HD3 ARG 114 HD3 ARG 114 1.622 -0.875 -5.065 546 HE ARG 114 HE ARG 114 4.215 -2.074 -4.712 547 HH11 ARG 114 HH11 ARG 114 1.027 -2.910 -5.909 548 HH12 ARG 114 HH12 ARG 114 1.655 -4.108 -7.009 549 HH21 ARG 114 HH21 ARG 114 4.944 -3.614 -6.136 550 HH22 ARG 114 HH22 ARG 114 3.815 -4.496 -7.123 Start of MODEL 12 1 H1 MET 1 H1 MET 1 5.176 46.382 -28.271 2 H2 MET 1 H2 MET 1 6.704 46.879 -27.983 3 H3 MET 1 H3 MET 1 5.461 47.526 -27.137 4 HA MET 1 HA MET 1 6.344 44.709 -27.003 5 HB2 MET 1 HB2 MET 1 7.936 46.319 -25.942 6 HB3 MET 1 HB3 MET 1 6.645 46.887 -24.881 7 HG2 MET 1 HG2 MET 1 6.490 44.640 -23.857 8 HG3 MET 1 HG3 MET 1 7.668 44.021 -25.017 9 HE1 MET 1 HE1 MET 1 7.032 46.106 -21.781 10 HE2 MET 1 HE2 MET 1 8.625 46.815 -21.437 11 HE3 MET 1 HE3 MET 1 7.675 47.411 -22.811 12 H ARG 2 H ARG 2 5.103 43.293 -25.759 13 HA ARG 2 HA ARG 2 2.561 44.297 -24.515 14 HB2 ARG 2 HB2 ARG 2 2.939 41.795 -26.218 15 HB3 ARG 2 HB3 ARG 2 1.490 42.175 -25.285 16 HG2 ARG 2 HG2 ARG 2 1.178 44.258 -26.614 17 HG3 ARG 2 HG3 ARG 2 2.569 43.825 -27.618 18 HD2 ARG 2 HD2 ARG 2 0.053 42.143 -27.286 19 HD3 ARG 2 HD3 ARG 2 0.373 43.239 -28.640 20 HE ARG 2 HE ARG 2 2.584 41.546 -28.577 21 HH11 ARG 2 HH11 ARG 2 -0.852 41.077 -29.078 22 HH12 ARG 2 HH12 ARG 2 -0.611 39.646 -30.045 23 HH21 ARG 2 HH21 ARG 2 2.823 39.707 -29.803 24 HH22 ARG 2 HH22 ARG 2 1.425 38.900 -30.448 25 H GLY 3 H GLY 3 1.783 43.080 -22.761 26 HA2 GLY 3 HA2 GLY 3 3.280 40.827 -21.643 27 HA3 GLY 3 HA3 GLY 3 3.571 42.343 -20.789 28 H SER 4 H SER 4 0.315 42.233 -21.931 29 HA SER 4 HA SER 4 -0.652 41.704 -19.191 30 HB2 SER 4 HB2 SER 4 -2.811 42.574 -20.098 31 HB3 SER 4 HB3 SER 4 -1.460 43.718 -20.092 32 HG SER 4 HG SER 4 -2.639 43.756 -22.083 33 H HIS 5 H HIS 5 -1.920 40.057 -18.589 34 HA HIS 5 HA HIS 5 -3.012 38.106 -20.542 35 HB2 HIS 5 HB2 HIS 5 -1.098 37.390 -18.279 36 HB3 HIS 5 HB3 HIS 5 -2.033 36.233 -19.216 37 HD2 HIS 5 HD2 HIS 5 1.155 38.299 -19.351 38 HE1 HIS 5 HE1 HIS 5 1.001 36.129 -23.022 39 HE2 HIS 5 HE2 HIS 5 2.458 37.594 -21.535 40 H HIS 6 H HIS 6 -4.811 37.016 -19.818 41 HA HIS 6 HA HIS 6 -5.530 36.881 -16.990 42 HB2 HIS 6 HB2 HIS 6 -7.733 37.930 -17.245 43 HB3 HIS 6 HB3 HIS 6 -6.441 39.084 -17.521 44 HD2 HIS 6 HD2 HIS 6 -9.430 37.456 -19.227 45 HE1 HIS 6 HE1 HIS 6 -7.771 40.126 -22.110 46 HE2 HIS 6 HE2 HIS 6 -9.753 38.624 -21.568 47 H HIS 7 H HIS 7 -6.915 35.195 -16.518 48 HA HIS 7 HA HIS 7 -8.559 33.898 -18.535 49 HB2 HIS 7 HB2 HIS 7 -6.092 32.949 -18.725 50 HB3 HIS 7 HB3 HIS 7 -6.496 32.087 -17.249 51 HD2 HIS 7 HD2 HIS 7 -6.944 32.044 -20.992 52 HE1 HIS 7 HE1 HIS 7 -9.571 28.993 -19.574 53 HE2 HIS 7 HE2 HIS 7 -8.490 30.009 -21.646 54 H HIS 8 H HIS 8 -10.151 32.540 -17.602 55 HA HIS 8 HA HIS 8 -10.086 31.788 -14.793 56 HB2 HIS 8 HB2 HIS 8 -10.885 34.196 -14.758 57 HB3 HIS 8 HB3 HIS 8 -12.275 33.692 -15.718 58 HD2 HIS 8 HD2 HIS 8 -13.988 34.353 -13.777 59 HE1 HIS 8 HE1 HIS 8 -12.688 31.560 -10.827 60 HE2 HIS 8 HE2 HIS 8 -14.476 33.271 -11.424 61 H HIS 9 H HIS 9 -11.660 30.191 -14.278 62 HA HIS 9 HA HIS 9 -13.556 29.271 -16.313 63 HB2 HIS 9 HB2 HIS 9 -12.613 27.131 -16.699 64 HB3 HIS 9 HB3 HIS 9 -11.338 28.290 -17.012 65 HD2 HIS 9 HD2 HIS 9 -12.129 25.214 -15.031 66 HE1 HIS 9 HE1 HIS 9 -8.368 26.544 -13.529 67 HE2 HIS 9 HE2 HIS 9 -10.015 24.598 -13.580 68 H HIS 10 H HIS 10 -14.782 27.364 -15.657 69 HA HIS 10 HA HIS 10 -15.132 27.047 -12.708 70 HB2 HIS 10 HB2 HIS 10 -17.296 27.589 -14.780 71 HB3 HIS 10 HB3 HIS 10 -17.596 27.138 -13.106 72 HD2 HIS 10 HD2 HIS 10 -17.084 28.953 -11.179 73 HE1 HIS 10 HE1 HIS 10 -16.522 32.305 -13.762 74 HE2 HIS 10 HE2 HIS 10 -16.886 31.576 -11.346 75 H GLY 11 H GLY 11 -16.458 25.170 -12.122 76 HA2 GLY 11 HA2 GLY 11 -17.009 22.895 -12.276 77 HA3 GLY 11 HA3 GLY 11 -16.364 22.804 -13.913 78 H SER 12 H SER 12 -15.896 21.169 -11.425 79 HA SER 12 HA SER 12 -13.005 21.713 -10.851 80 HB2 SER 12 HB2 SER 12 -15.153 20.782 -8.930 81 HB3 SER 12 HB3 SER 12 -13.478 21.208 -8.541 82 HG SER 12 HG SER 12 -14.947 22.948 -8.136 83 H GLY 58 H GLY 58 -14.613 19.364 -12.411 84 HA2 GLY 58 HA2 GLY 58 -14.050 17.236 -13.038 85 HA3 GLY 58 HA3 GLY 58 -12.430 17.649 -12.473 86 H ALA 59 H ALA 59 -15.222 17.343 -10.304 87 HA ALA 59 HA ALA 59 -13.647 15.693 -8.548 88 HB1 ALA 59 HB1 ALA 59 -16.471 16.780 -8.255 89 HB2 ALA 59 HB2 ALA 59 -15.438 16.155 -6.949 90 HB3 ALA 59 HB3 ALA 59 -14.970 17.628 -7.819 91 H LEU 60 H LEU 60 -13.915 14.023 -10.631 92 HA LEU 60 HA LEU 60 -16.135 12.151 -10.262 93 HB2 LEU 60 HB2 LEU 60 -15.261 10.964 -12.116 94 HB3 LEU 60 HB3 LEU 60 -15.405 12.686 -12.415 95 HG LEU 60 HG LEU 60 -12.888 12.888 -12.115 96 HD11 LEU 60 HD11 LEU 60 -13.052 9.842 -12.216 97 HD12 LEU 60 HD12 LEU 60 -11.588 10.777 -12.571 98 HD13 LEU 60 HD13 LEU 60 -12.273 10.824 -10.953 99 HD21 LEU 60 HD21 LEU 60 -14.051 12.826 -14.279 100 HD22 LEU 60 HD22 LEU 60 -12.476 12.015 -14.384 101 HD23 LEU 60 HD23 LEU 60 -13.972 11.050 -14.280 102 H ALA 61 H ALA 61 -13.232 12.467 -8.629 103 HA ALA 61 HA ALA 61 -12.390 9.759 -8.299 104 HB1 ALA 61 HB1 ALA 61 -11.999 12.189 -6.499 105 HB2 ALA 61 HB2 ALA 61 -11.093 10.668 -6.399 106 HB3 ALA 61 HB3 ALA 61 -10.941 11.686 -7.836 107 H ALA 62 H ALA 62 -12.736 8.215 -6.762 108 HA ALA 62 HA ALA 62 -15.050 8.595 -4.961 109 HB1 ALA 62 HB1 ALA 62 -13.844 6.034 -6.092 110 HB2 ALA 62 HB2 ALA 62 -15.328 6.149 -5.129 111 HB3 ALA 62 HB3 ALA 62 -15.268 6.880 -6.745 112 H LEU 63 H LEU 63 -15.196 7.701 -2.928 113 HA LEU 63 HA LEU 63 -12.613 7.294 -1.486 114 HB2 LEU 63 HB2 LEU 63 -15.093 8.752 -0.490 115 HB3 LEU 63 HB3 LEU 63 -13.621 8.467 0.431 116 HG LEU 63 HG LEU 63 -13.833 10.238 -2.047 117 HD11 LEU 63 HD11 LEU 63 -13.490 10.938 0.900 118 HD12 LEU 63 HD12 LEU 63 -13.533 12.082 -0.459 119 HD13 LEU 63 HD13 LEU 63 -14.978 11.149 -0.050 120 HD21 LEU 63 HD21 LEU 63 -11.574 9.311 -1.858 121 HD22 LEU 63 HD22 LEU 63 -11.569 11.011 -1.355 122 HD23 LEU 63 HD23 LEU 63 -11.515 9.730 -0.134 123 H HIS 64 H HIS 64 -12.580 5.862 0.197 124 HA HIS 64 HA HIS 64 -14.650 3.807 0.529 125 HB2 HIS 64 HB2 HIS 64 -12.167 4.602 2.059 126 HB3 HIS 64 HB3 HIS 64 -13.212 3.279 2.575 127 HD2 HIS 64 HD2 HIS 64 -10.105 3.812 0.780 128 HE1 HIS 64 HE1 HIS 64 -11.584 0.155 -0.810 129 HE2 HIS 64 HE2 HIS 64 -9.538 1.640 -0.602 130 H ALA 65 H ALA 65 -16.228 3.722 2.120 131 HA ALA 65 HA ALA 65 -16.832 6.310 3.453 132 HB1 ALA 65 HB1 ALA 65 -18.608 3.939 2.759 133 HB2 ALA 65 HB2 ALA 65 -19.139 5.515 3.381 134 HB3 ALA 65 HB3 ALA 65 -18.395 5.409 1.775 135 H GLU 66 H GLU 66 -15.794 3.146 4.420 136 HA GLU 66 HA GLU 66 -16.664 3.612 7.243 137 HB2 GLU 66 HB2 GLU 66 -17.062 1.065 5.622 138 HB3 GLU 66 HB3 GLU 66 -17.289 1.205 7.366 139 HG2 GLU 66 HG2 GLU 66 -19.043 2.947 6.982 140 HG3 GLU 66 HG3 GLU 66 -18.895 2.680 5.240 141 H GLY 67 H GLY 67 -15.565 2.335 8.850 142 HA2 GLY 67 HA2 GLY 67 -13.767 1.293 9.853 143 HA3 GLY 67 HA3 GLY 67 -13.316 0.680 8.268 144 HA PRO 68 HA PRO 68 -9.948 3.563 9.850 145 HB2 PRO 68 HB2 PRO 68 -7.870 2.087 8.710 146 HB3 PRO 68 HB3 PRO 68 -8.517 1.857 10.368 147 HG2 PRO 68 HG2 PRO 68 -9.203 0.338 7.839 148 HG3 PRO 68 HG3 PRO 68 -8.850 -0.320 9.469 149 HD2 PRO 68 HD2 PRO 68 -11.376 -0.047 8.612 150 HD3 PRO 68 HD3 PRO 68 -10.965 0.379 10.300 151 H LEU 69 H LEU 69 -10.724 2.257 6.700 152 HA LEU 69 HA LEU 69 -9.129 4.194 5.176 153 HB2 LEU 69 HB2 LEU 69 -10.677 1.691 4.710 154 HB3 LEU 69 HB3 LEU 69 -10.744 2.852 3.394 155 HG LEU 69 HG LEU 69 -8.380 2.828 3.077 156 HD11 LEU 69 HD11 LEU 69 -8.201 1.082 5.567 157 HD12 LEU 69 HD12 LEU 69 -6.877 1.345 4.416 158 HD13 LEU 69 HD13 LEU 69 -7.502 2.705 5.341 159 HD21 LEU 69 HD21 LEU 69 -9.669 0.899 2.143 160 HD22 LEU 69 HD22 LEU 69 -7.985 0.474 2.509 161 HD23 LEU 69 HD23 LEU 69 -9.291 -0.040 3.596 162 H ALA 70 H ALA 70 -12.121 4.504 6.757 163 HA ALA 70 HA ALA 70 -13.758 5.759 4.880 164 HB1 ALA 70 HB1 ALA 70 -13.414 6.435 7.829 165 HB2 ALA 70 HB2 ALA 70 -14.798 6.888 6.810 166 HB3 ALA 70 HB3 ALA 70 -14.475 5.179 7.155 167 H GLY 71 H GLY 71 -13.652 7.550 3.705 168 HA2 GLY 71 HA2 GLY 71 -13.284 9.836 3.245 169 HA3 GLY 71 HA3 GLY 71 -12.139 9.937 4.594 170 H LEU 72 H LEU 72 -11.154 7.238 2.914 171 HA LEU 72 HA LEU 72 -9.062 8.856 1.537 172 HB2 LEU 72 HB2 LEU 72 -9.029 5.977 2.456 173 HB3 LEU 72 HB3 LEU 72 -7.658 6.928 1.890 174 HG LEU 72 HG LEU 72 -9.126 7.225 4.519 175 HD11 LEU 72 HD11 LEU 72 -6.220 6.612 3.845 176 HD12 LEU 72 HD12 LEU 72 -6.968 6.618 5.459 177 HD13 LEU 72 HD13 LEU 72 -7.439 5.397 4.261 178 HD21 LEU 72 HD21 LEU 72 -8.571 9.496 3.793 179 HD22 LEU 72 HD22 LEU 72 -7.464 8.990 5.067 180 HD23 LEU 72 HD23 LEU 72 -6.918 8.990 3.376 181 HA PRO 73 HA PRO 73 -10.144 7.572 -2.605 182 HB2 PRO 73 HB2 PRO 73 -7.697 6.844 -3.686 183 HB3 PRO 73 HB3 PRO 73 -8.254 8.526 -3.479 184 HG2 PRO 73 HG2 PRO 73 -6.512 6.879 -1.609 185 HG3 PRO 73 HG3 PRO 73 -6.205 8.531 -2.210 186 HD2 PRO 73 HD2 PRO 73 -7.259 8.172 0.206 187 HD3 PRO 73 HD3 PRO 73 -7.985 9.410 -0.844 188 H VAL 74 H VAL 74 -10.807 5.765 -3.719 189 HA VAL 74 HA VAL 74 -10.377 3.172 -2.426 190 HB VAL 74 HB VAL 74 -11.933 3.795 -4.956 191 HG11 VAL 74 HG11 VAL 74 -11.896 1.335 -3.164 192 HG12 VAL 74 HG12 VAL 74 -13.048 1.633 -4.488 193 HG13 VAL 74 HG13 VAL 74 -11.336 1.419 -4.851 194 HG21 VAL 74 HG21 VAL 74 -12.880 4.944 -2.987 195 HG22 VAL 74 HG22 VAL 74 -13.915 3.608 -3.487 196 HG23 VAL 74 HG23 VAL 74 -12.852 3.414 -2.074 197 H THR 75 H THR 75 -9.336 4.709 -5.462 198 HA THR 75 HA THR 75 -7.074 2.778 -5.610 199 HB THR 75 HB THR 75 -8.663 1.860 -7.104 200 HG1 THR 75 HG1 THR 75 -7.409 1.860 -8.928 201 HG21 THR 75 HG21 THR 75 -8.818 4.664 -8.218 202 HG22 THR 75 HG22 THR 75 -9.342 3.228 -9.148 203 HG23 THR 75 HG23 THR 75 -10.116 3.627 -7.603 204 H ARG 76 H ARG 76 -5.365 3.487 -7.187 205 HA ARG 76 HA ARG 76 -4.355 6.047 -6.364 206 HB2 ARG 76 HB2 ARG 76 -2.515 5.670 -7.901 207 HB3 ARG 76 HB3 ARG 76 -2.866 4.212 -6.977 208 HG2 ARG 76 HG2 ARG 76 -3.990 3.201 -8.919 209 HG3 ARG 76 HG3 ARG 76 -3.767 4.689 -9.860 210 HD2 ARG 76 HD2 ARG 76 -1.341 4.460 -9.736 211 HD3 ARG 76 HD3 ARG 76 -1.497 3.007 -8.726 212 HE ARG 76 HE ARG 76 -2.988 2.483 -11.039 213 HH11 ARG 76 HH11 ARG 76 0.419 3.162 -10.406 214 HH12 ARG 76 HH12 ARG 76 0.933 2.146 -11.732 215 HH21 ARG 76 HH21 ARG 76 -2.236 1.254 -12.725 216 HH22 ARG 76 HH22 ARG 76 -0.529 1.127 -13.022 217 H SER 77 H SER 77 -6.262 5.185 -9.226 218 HA SER 77 HA SER 77 -6.037 7.674 -10.598 219 HB2 SER 77 HB2 SER 77 -8.460 5.839 -10.428 220 HB3 SER 77 HB3 SER 77 -8.141 7.067 -11.672 221 HG SER 77 HG SER 77 -7.490 4.964 -12.367 222 H ASP 78 H ASP 78 -8.266 6.708 -7.921 223 HA ASP 78 HA ASP 78 -9.635 9.261 -7.813 224 HB2 ASP 78 HB2 ASP 78 -9.196 7.345 -5.499 225 HB3 ASP 78 HB3 ASP 78 -10.436 8.585 -5.638 226 H ALA 79 H ALA 79 -6.777 7.877 -6.101 227 HA ALA 79 HA ALA 79 -6.299 10.138 -4.446 228 HB1 ALA 79 HB1 ALA 79 -4.221 8.229 -5.590 229 HB2 ALA 79 HB2 ALA 79 -4.140 9.148 -4.070 230 HB3 ALA 79 HB3 ALA 79 -5.296 7.818 -4.246 231 H ARG 80 H ARG 80 -4.903 9.456 -7.696 232 HA ARG 80 HA ARG 80 -3.404 11.890 -8.058 233 HB2 ARG 80 HB2 ARG 80 -4.868 10.071 -10.018 234 HB3 ARG 80 HB3 ARG 80 -3.834 11.406 -10.520 235 HG2 ARG 80 HG2 ARG 80 -1.855 10.353 -9.592 236 HG3 ARG 80 HG3 ARG 80 -2.815 9.063 -8.854 237 HD2 ARG 80 HD2 ARG 80 -3.648 8.433 -11.142 238 HD3 ARG 80 HD3 ARG 80 -2.555 9.654 -11.831 239 HE ARG 80 HE ARG 80 -1.016 7.874 -10.206 240 HH11 ARG 80 HH11 ARG 80 -2.719 7.815 -13.287 241 HH12 ARG 80 HH12 ARG 80 -1.719 6.533 -13.904 242 HH21 ARG 80 HH21 ARG 80 0.156 6.265 -11.013 243 HH22 ARG 80 HH22 ARG 80 -0.074 5.689 -12.662 244 H VAL 81 H VAL 81 -6.840 11.178 -8.903 245 HA VAL 81 HA VAL 81 -7.268 13.885 -9.856 246 HB VAL 81 HB VAL 81 -9.195 11.643 -9.221 247 HG11 VAL 81 HG11 VAL 81 -9.780 14.334 -10.552 248 HG12 VAL 81 HG12 VAL 81 -10.882 12.946 -10.520 249 HG13 VAL 81 HG13 VAL 81 -10.461 13.764 -9.015 250 HG21 VAL 81 HG21 VAL 81 -7.673 11.308 -11.176 251 HG22 VAL 81 HG22 VAL 81 -9.357 11.483 -11.668 252 HG23 VAL 81 HG23 VAL 81 -8.235 12.845 -11.860 253 H LEU 82 H LEU 82 -7.806 12.407 -6.603 254 HA LEU 82 HA LEU 82 -9.054 14.755 -5.489 255 HB2 LEU 82 HB2 LEU 82 -7.391 12.509 -4.299 256 HB3 LEU 82 HB3 LEU 82 -8.103 13.768 -3.306 257 HG LEU 82 HG LEU 82 -9.807 12.060 -5.151 258 HD11 LEU 82 HD11 LEU 82 -9.274 11.577 -2.198 259 HD12 LEU 82 HD12 LEU 82 -10.245 10.581 -3.326 260 HD13 LEU 82 HD13 LEU 82 -8.492 10.685 -3.517 261 HD21 LEU 82 HD21 LEU 82 -10.901 14.112 -4.343 262 HD22 LEU 82 HD22 LEU 82 -11.619 12.674 -3.601 263 HD23 LEU 82 HD23 LEU 82 -10.488 13.677 -2.668 264 H ILE 83 H ILE 83 -5.569 13.818 -5.752 265 HA ILE 83 HA ILE 83 -4.590 16.249 -4.551 266 HB ILE 83 HB ILE 83 -3.251 14.421 -6.581 267 HG12 ILE 83 HG12 ILE 83 -2.649 14.590 -3.611 268 HG13 ILE 83 HG13 ILE 83 -3.918 13.523 -4.186 269 HG21 ILE 83 HG21 ILE 83 -2.210 16.756 -4.902 270 HG22 ILE 83 HG22 ILE 83 -1.129 15.551 -5.586 271 HG23 ILE 83 HG23 ILE 83 -2.101 16.559 -6.666 272 HD11 ILE 83 HD11 ILE 83 -0.977 13.349 -4.921 273 HD12 ILE 83 HD12 ILE 83 -1.931 12.219 -3.946 274 HD13 ILE 83 HD13 ILE 83 -2.270 12.380 -5.675 275 H PHE 84 H PHE 84 -5.367 15.449 -7.989 276 HA PHE 84 HA PHE 84 -4.602 17.960 -9.064 277 HB2 PHE 84 HB2 PHE 84 -5.161 16.055 -10.505 278 HB3 PHE 84 HB3 PHE 84 -6.808 16.054 -9.907 279 HD1 PHE 84 HD2 PHE 84 -4.760 19.035 -10.979 280 HD2 PHE 84 HD1 PHE 84 -8.177 16.521 -11.754 281 HE1 PHE 84 HE2 PHE 84 -5.433 20.534 -12.808 282 HE2 PHE 84 HE1 PHE 84 -8.868 18.052 -13.584 283 HZ PHE 84 HZ PHE 84 -7.489 20.056 -14.121 284 H ASN 85 H ASN 85 -7.893 16.959 -7.905 285 HA ASN 85 HA ASN 85 -9.082 19.506 -8.326 286 HB2 ASN 85 HB2 ASN 85 -10.463 17.537 -8.025 287 HB3 ASN 85 HB3 ASN 85 -9.730 17.186 -6.452 288 HD21 ASN 85 HD22 ASN 85 -11.883 19.523 -8.150 289 HD22 ASN 85 HD21 ASN 85 -12.430 20.273 -6.635 290 H GLU 86 H GLU 86 -7.406 18.192 -5.405 291 HA GLU 86 HA GLU 86 -7.780 20.489 -3.758 292 HB2 GLU 86 HB2 GLU 86 -6.961 18.407 -2.814 293 HB3 GLU 86 HB3 GLU 86 -5.482 18.487 -3.795 294 HG2 GLU 86 HG2 GLU 86 -4.740 20.492 -2.642 295 HG3 GLU 86 HG3 GLU 86 -6.299 20.663 -1.834 296 H TRP 87 H TRP 87 -4.923 19.736 -5.942 297 HA TRP 87 HA TRP 87 -3.645 22.224 -5.662 298 HB2 TRP 87 HB2 TRP 87 -2.582 20.443 -6.901 299 HB3 TRP 87 HB3 TRP 87 -3.907 20.374 -8.059 300 HD1 TRP 87 HD1 TRP 87 -0.990 22.612 -7.040 301 HE1 TRP 87 HE1 TRP 87 -0.431 24.279 -8.919 302 HE3 TRP 87 HE3 TRP 87 -4.944 21.679 -10.204 303 HZ2 TRP 87 HZ2 TRP 87 -1.469 25.016 -11.474 304 HZ3 TRP 87 HZ3 TRP 87 -5.147 22.939 -12.315 305 HH2 TRP 87 HH2 TRP 87 -3.440 24.618 -12.959 306 H GLU 88 H GLU 88 -6.313 21.352 -7.924 307 HA GLU 88 HA GLU 88 -6.223 23.796 -9.323 308 HB2 GLU 88 HB2 GLU 88 -7.380 21.515 -9.904 309 HB3 GLU 88 HB3 GLU 88 -8.760 22.179 -9.003 310 HG2 GLU 88 HG2 GLU 88 -8.519 24.229 -10.518 311 HG3 GLU 88 HG3 GLU 88 -7.327 23.329 -11.432 312 H GLU 89 H GLU 89 -8.348 22.893 -6.554 313 HA GLU 89 HA GLU 89 -9.673 25.475 -6.499 314 HB2 GLU 89 HB2 GLU 89 -9.479 23.205 -4.488 315 HB3 GLU 89 HB3 GLU 89 -10.445 24.672 -4.239 316 HG2 GLU 89 HG2 GLU 89 -11.743 24.222 -6.272 317 HG3 GLU 89 HG3 GLU 89 -10.770 22.798 -6.627 318 H ARG 90 H ARG 90 -6.887 24.134 -4.658 319 HA ARG 90 HA ARG 90 -6.361 26.444 -3.012 320 HB2 ARG 90 HB2 ARG 90 -4.428 24.477 -4.288 321 HB3 ARG 90 HB3 ARG 90 -4.004 25.604 -3.001 322 HG2 ARG 90 HG2 ARG 90 -6.223 23.630 -2.500 323 HG3 ARG 90 HG3 ARG 90 -4.562 23.048 -2.635 324 HD2 ARG 90 HD2 ARG 90 -3.920 24.705 -0.827 325 HD3 ARG 90 HD3 ARG 90 -5.656 25.040 -0.618 326 HE ARG 90 HE ARG 90 -5.157 22.201 -0.518 327 HH11 ARG 90 HH11 ARG 90 -4.760 24.998 1.559 328 HH12 ARG 90 HH12 ARG 90 -4.731 24.021 2.999 329 HH21 ARG 90 HH21 ARG 90 -5.044 21.023 1.283 330 HH22 ARG 90 HH22 ARG 90 -4.915 21.801 2.850 331 H LYS 91 H LYS 91 -5.073 25.527 -6.193 332 HA LYS 91 HA LYS 91 -3.547 27.884 -6.660 333 HB2 LYS 91 HB2 LYS 91 -3.222 25.742 -7.812 334 HB3 LYS 91 HB3 LYS 91 -4.689 25.990 -8.758 335 HG2 LYS 91 HG2 LYS 91 -2.517 28.104 -8.786 336 HG3 LYS 91 HG3 LYS 91 -2.232 26.593 -9.629 337 HD2 LYS 91 HD2 LYS 91 -4.276 26.909 -10.987 338 HD3 LYS 91 HD3 LYS 91 -4.577 28.465 -10.185 339 HE2 LYS 91 HE2 LYS 91 -2.361 29.293 -10.977 340 HE3 LYS 91 HE3 LYS 91 -2.068 27.745 -11.777 341 HZ1 LYS 91 HZ1 LYS 91 -4.287 29.625 -12.464 342 HZ2 LYS 91 HZ2 LYS 91 -2.932 29.395 -13.346 343 HZ3 LYS 91 HZ3 LYS 91 -4.016 28.187 -13.204 344 H LYS 92 H LYS 92 -6.950 27.224 -7.622 345 HA LYS 92 HA LYS 92 -7.339 29.820 -8.850 346 HB2 LYS 92 HB2 LYS 92 -9.264 27.783 -7.670 347 HB3 LYS 92 HB3 LYS 92 -9.796 29.313 -8.394 348 HG2 LYS 92 HG2 LYS 92 -8.821 28.757 -10.541 349 HG3 LYS 92 HG3 LYS 92 -8.017 27.349 -9.883 350 HD2 LYS 92 HD2 LYS 92 -9.788 26.494 -11.097 351 HD3 LYS 92 HD3 LYS 92 -10.305 26.317 -9.433 352 HE2 LYS 92 HE2 LYS 92 -11.112 28.767 -11.065 353 HE3 LYS 92 HE3 LYS 92 -11.897 27.226 -11.378 354 HZ1 LYS 92 HZ1 LYS 92 -11.933 28.602 -8.732 355 HZ2 LYS 92 HZ2 LYS 92 -13.176 28.480 -9.777 356 HZ3 LYS 92 HZ3 LYS 92 -12.612 27.141 -9.044 357 H SER 93 H SER 93 -7.516 28.815 -5.432 358 HA SER 93 HA SER 93 -8.379 31.459 -4.544 359 HB2 SER 93 HB2 SER 93 -8.710 29.243 -3.348 360 HB3 SER 93 HB3 SER 93 -7.001 29.337 -2.877 361 HG SER 93 HG SER 93 -8.429 30.264 -1.296 362 H ASP 94 H ASP 94 -5.187 29.908 -4.883 363 HA ASP 94 HA ASP 94 -3.720 32.430 -4.412 364 HB2 ASP 94 HB2 ASP 94 -3.462 29.869 -2.811 365 HB3 ASP 94 HB3 ASP 94 -2.140 31.017 -2.968 366 HA PRO 95 HA PRO 95 -2.627 30.364 -8.181 367 HB2 PRO 95 HB2 PRO 95 -1.157 32.314 -9.455 368 HB3 PRO 95 HB3 PRO 95 -2.919 32.410 -9.163 369 HG2 PRO 95 HG2 PRO 95 -0.695 33.517 -7.393 370 HG3 PRO 95 HG3 PRO 95 -2.093 34.420 -8.096 371 HD2 PRO 95 HD2 PRO 95 -2.226 33.477 -5.605 372 HD3 PRO 95 HD3 PRO 95 -3.639 33.183 -6.678 373 H TRP 96 H TRP 96 -0.066 30.978 -5.974 374 HA TRP 96 HA TRP 96 2.199 30.397 -7.596 375 HB2 TRP 96 HB2 TRP 96 3.406 30.335 -5.549 376 HB3 TRP 96 HB3 TRP 96 2.159 31.547 -5.339 377 HD1 TRP 96 HD1 TRP 96 -0.093 30.606 -3.955 378 HE1 TRP 96 HE1 TRP 96 -0.249 29.015 -1.938 379 HE3 TRP 96 HE3 TRP 96 4.461 28.343 -4.393 380 HZ2 TRP 96 HZ2 TRP 96 1.380 26.960 -0.726 381 HZ3 TRP 96 HZ3 TRP 96 5.119 26.519 -2.828 382 HH2 TRP 96 HH2 TRP 96 3.591 25.826 -0.995 383 H LEU 97 H LEU 97 -0.074 28.126 -6.148 384 HA LEU 97 HA LEU 97 1.758 26.244 -5.314 385 HB2 LEU 97 HB2 LEU 97 -0.652 26.508 -4.628 386 HB3 LEU 97 HB3 LEU 97 -1.118 25.719 -6.140 387 HG LEU 97 HG LEU 97 0.118 23.661 -5.416 388 HD11 LEU 97 HD11 LEU 97 0.407 25.147 -2.769 389 HD12 LEU 97 HD12 LEU 97 0.719 23.418 -3.023 390 HD13 LEU 97 HD13 LEU 97 1.744 24.617 -3.811 391 HD21 LEU 97 HD21 LEU 97 -2.299 24.005 -5.047 392 HD22 LEU 97 HD22 LEU 97 -1.567 22.974 -3.797 393 HD23 LEU 97 HD23 LEU 97 -1.935 24.678 -3.437 394 H ARG 98 H ARG 98 2.622 24.305 -6.110 395 HA ARG 98 HA ARG 98 2.321 23.668 -9.023 396 HB2 ARG 98 HB2 ARG 98 4.483 23.151 -6.966 397 HB3 ARG 98 HB3 ARG 98 4.315 22.083 -8.347 398 HG2 ARG 98 HG2 ARG 98 5.982 23.743 -8.807 399 HG3 ARG 98 HG3 ARG 98 4.625 23.903 -9.922 400 HD2 ARG 98 HD2 ARG 98 3.822 25.882 -8.751 401 HD3 ARG 98 HD3 ARG 98 5.042 25.670 -7.477 402 HE ARG 98 HE ARG 98 6.398 25.794 -9.962 403 HH11 ARG 98 HH11 ARG 98 4.516 28.046 -8.024 404 HH12 ARG 98 HH12 ARG 98 5.473 29.411 -8.552 405 HH21 ARG 98 HH21 ARG 98 7.519 27.585 -10.624 406 HH22 ARG 98 HH22 ARG 98 7.096 29.156 -10.010 407 H LEU 99 H LEU 99 1.866 21.607 -9.740 408 HA LEU 99 HA LEU 99 0.234 19.913 -7.906 409 HB2 LEU 99 HB2 LEU 99 -0.639 20.982 -10.078 410 HB3 LEU 99 HB3 LEU 99 0.413 19.885 -10.934 411 HG LEU 99 HG LEU 99 -2.070 19.168 -9.278 412 HD11 LEU 99 HD11 LEU 99 -1.273 18.885 -12.214 413 HD12 LEU 99 HD12 LEU 99 -2.770 18.269 -11.508 414 HD13 LEU 99 HD13 LEU 99 -2.467 20.020 -11.550 415 HD21 LEU 99 HD21 LEU 99 -0.527 17.391 -8.827 416 HD22 LEU 99 HD22 LEU 99 -1.741 16.880 -9.984 417 HD23 LEU 99 HD23 LEU 99 -0.097 17.269 -10.561 418 H ASP 100 H ASP 100 1.279 18.142 -7.073 419 HA ASP 100 HA ASP 100 3.113 16.551 -8.824 420 HB2 ASP 100 HB2 ASP 100 3.606 17.420 -5.955 421 HB3 ASP 100 HB3 ASP 100 4.456 16.090 -6.733 422 H MET 101 H MET 101 2.205 14.626 -9.137 423 HA MET 101 HA MET 101 1.219 13.037 -6.880 424 HB2 MET 101 HB2 MET 101 -1.011 12.575 -7.991 425 HB3 MET 101 HB3 MET 101 -0.762 14.102 -7.207 426 HG2 MET 101 HG2 MET 101 -1.870 14.817 -8.961 427 HG3 MET 101 HG3 MET 101 -0.242 15.009 -9.603 428 HE1 MET 101 HE1 MET 101 -1.848 15.470 -11.772 429 HE2 MET 101 HE2 MET 101 -2.892 14.210 -12.477 430 HE3 MET 101 HE3 MET 101 -3.272 14.902 -10.881 431 H SER 102 H SER 102 3.451 12.520 -8.046 432 HA SER 102 HA SER 102 3.251 10.206 -9.822 433 HB2 SER 102 HB2 SER 102 5.371 11.404 -9.465 434 HB3 SER 102 HB3 SER 102 5.347 10.965 -7.746 435 HG SER 102 HG SER 102 6.634 9.552 -9.153 436 H ASP 103 H ASP 103 3.403 7.961 -9.099 437 HA ASP 103 HA ASP 103 1.479 7.275 -7.139 438 HB2 ASP 103 HB2 ASP 103 3.609 5.731 -8.619 439 HB3 ASP 103 HB3 ASP 103 2.721 4.966 -7.307 440 H LYS 104 H LYS 104 4.966 7.761 -6.718 441 HA LYS 104 HA LYS 104 5.166 6.820 -3.997 442 HB2 LYS 104 HB2 LYS 104 6.692 9.017 -5.471 443 HB3 LYS 104 HB3 LYS 104 7.107 8.403 -3.864 444 HG2 LYS 104 HG2 LYS 104 7.394 6.120 -4.796 445 HG3 LYS 104 HG3 LYS 104 7.035 6.741 -6.418 446 HD2 LYS 104 HD2 LYS 104 9.012 8.249 -6.285 447 HD3 LYS 104 HD3 LYS 104 9.323 7.690 -4.640 448 HE2 LYS 104 HE2 LYS 104 10.859 6.538 -6.032 449 HE3 LYS 104 HE3 LYS 104 9.658 5.361 -5.503 450 HZ1 LYS 104 HZ1 LYS 104 9.675 6.705 -8.170 451 HZ2 LYS 104 HZ2 LYS 104 10.159 5.175 -7.891 452 HZ3 LYS 104 HZ3 LYS 104 8.590 5.566 -7.702 453 H ALA 105 H ALA 105 4.092 9.989 -5.290 454 HA ALA 105 HA ALA 105 3.660 11.205 -2.690 455 HB1 ALA 105 HB1 ALA 105 2.439 11.903 -5.375 456 HB2 ALA 105 HB2 ALA 105 2.484 12.916 -3.924 457 HB3 ALA 105 HB3 ALA 105 3.993 12.514 -4.763 458 H ILE 106 H ILE 106 1.644 9.265 -4.893 459 HA ILE 106 HA ILE 106 -0.733 9.499 -3.246 460 HB ILE 106 HB ILE 106 0.105 7.546 -5.403 461 HG12 ILE 106 HG12 ILE 106 -1.965 8.492 -6.477 462 HG13 ILE 106 HG13 ILE 106 -2.143 9.594 -5.104 463 HG21 ILE 106 HG21 ILE 106 -2.421 7.332 -3.710 464 HG22 ILE 106 HG22 ILE 106 -2.167 6.523 -5.277 465 HG23 ILE 106 HG23 ILE 106 -1.147 6.107 -3.910 466 HD11 ILE 106 HD11 ILE 106 0.216 9.495 -6.990 467 HD12 ILE 106 HD12 ILE 106 -1.136 10.633 -7.083 468 HD13 ILE 106 HD13 ILE 106 -0.018 10.706 -5.700 469 H PHE 107 H PHE 107 1.803 6.941 -3.288 470 HA PHE 107 HA PHE 107 0.596 5.502 -1.136 471 HB2 PHE 107 HB2 PHE 107 3.555 5.491 -1.741 472 HB3 PHE 107 HB3 PHE 107 2.588 4.243 -0.934 473 HD1 PHE 107 HD2 PHE 107 0.217 4.109 -2.781 474 HD2 PHE 107 HD1 PHE 107 4.446 4.263 -3.585 475 HE1 PHE 107 HE2 PHE 107 -0.162 2.975 -4.924 476 HE2 PHE 107 HE1 PHE 107 4.070 3.087 -5.738 477 HZ PHE 107 HZ PHE 107 1.765 2.444 -6.425 478 H ARG 108 H ARG 108 2.951 8.210 -1.041 479 HA ARG 108 HA ARG 108 3.372 8.153 1.817 480 HB2 ARG 108 HB2 ARG 108 3.724 10.257 -0.353 481 HB3 ARG 108 HB3 ARG 108 4.073 10.604 1.326 482 HG2 ARG 108 HG2 ARG 108 5.377 8.298 -0.182 483 HG3 ARG 108 HG3 ARG 108 6.064 9.916 -0.114 484 HD2 ARG 108 HD2 ARG 108 5.500 8.161 2.314 485 HD3 ARG 108 HD3 ARG 108 7.066 8.324 1.508 486 HE ARG 108 HE ARG 108 6.289 10.942 2.124 487 HH11 ARG 108 HH11 ARG 108 7.083 8.077 3.985 488 HH12 ARG 108 HH12 ARG 108 7.623 9.007 5.356 489 HH21 ARG 108 HH21 ARG 108 6.978 12.065 3.913 490 HH22 ARG 108 HH22 ARG 108 7.570 11.210 5.306 491 H ARG 109 H ARG 109 0.960 9.934 -0.169 492 HA ARG 109 HA ARG 109 -0.265 11.189 2.193 493 HB2 ARG 109 HB2 ARG 109 -1.122 10.879 -0.712 494 HB3 ARG 109 HB3 ARG 109 -2.159 11.610 0.522 495 HG2 ARG 109 HG2 ARG 109 -0.506 13.343 1.002 496 HG3 ARG 109 HG3 ARG 109 0.650 12.600 -0.111 497 HD2 ARG 109 HD2 ARG 109 -0.376 14.520 -1.163 498 HD3 ARG 109 HD3 ARG 109 -0.836 13.050 -2.012 499 HE ARG 109 HE ARG 109 -3.038 13.151 -0.789 500 HH11 ARG 109 HH11 ARG 109 -1.337 16.268 -1.033 501 HH12 ARG 109 HH12 ARG 109 -2.902 17.097 -1.076 502 HH21 ARG 109 HH21 ARG 109 -4.882 14.440 -0.893 503 HH22 ARG 109 HH22 ARG 109 -4.645 16.197 -0.978 504 H TYR 110 H TYR 110 -0.920 8.268 0.337 505 HA TYR 110 HA TYR 110 -3.128 7.496 2.198 506 HB2 TYR 110 HB2 TYR 110 -3.017 7.105 -0.802 507 HB3 TYR 110 HB3 TYR 110 -4.355 6.755 0.286 508 HD1 TYR 110 HD1 TYR 110 -5.242 8.827 1.700 509 HD2 TYR 110 HD2 TYR 110 -3.005 9.137 -1.965 510 HE1 TYR 110 HE1 TYR 110 -6.216 11.080 1.303 511 HE2 TYR 110 HE2 TYR 110 -4.005 11.391 -2.384 512 HH TYR 110 HH TYR 110 -6.383 12.856 -0.132 513 HA PRO 111 HA PRO 111 0.278 4.432 2.165 514 HB2 PRO 111 HB2 PRO 111 0.014 3.405 4.703 515 HB3 PRO 111 HB3 PRO 111 0.778 4.979 4.328 516 HG2 PRO 111 HG2 PRO 111 -2.090 4.461 5.179 517 HG3 PRO 111 HG3 PRO 111 -0.930 5.644 5.870 518 HD2 PRO 111 HD2 PRO 111 -2.760 6.400 4.037 519 HD3 PRO 111 HD3 PRO 111 -1.090 7.047 3.958 520 H HIS 112 H HIS 112 -3.128 3.728 2.543 521 HA HIS 112 HA HIS 112 -2.846 0.833 2.454 522 HB2 HIS 112 HB2 HIS 112 -5.209 0.791 2.332 523 HB3 HIS 112 HB3 HIS 112 -4.738 2.014 3.505 524 HD2 HIS 112 HD2 HIS 112 -6.915 1.511 0.545 525 HE1 HIS 112 HE1 HIS 112 -6.427 5.725 0.676 526 HE2 HIS 112 HE2 HIS 112 -7.769 3.859 -0.337 527 H LEU 113 H LEU 113 -2.488 3.233 -0.014 528 HA LEU 113 HA LEU 113 -3.321 1.463 -2.189 529 HB2 LEU 113 HB2 LEU 113 -1.937 4.156 -2.091 530 HB3 LEU 113 HB3 LEU 113 -2.043 3.242 -3.585 531 HG LEU 113 HG LEU 113 -3.771 4.966 -3.474 532 HD11 LEU 113 HD11 LEU 113 -5.031 2.205 -3.290 533 HD12 LEU 113 HD12 LEU 113 -5.731 3.663 -3.988 534 HD13 LEU 113 HD13 LEU 113 -4.295 2.920 -4.749 535 HD21 LEU 113 HD21 LEU 113 -4.101 4.915 -1.005 536 HD22 LEU 113 HD22 LEU 113 -5.609 4.881 -1.955 537 HD23 LEU 113 HD23 LEU 113 -4.995 3.398 -1.211 538 H ARG 114 H ARG 114 -0.303 2.070 -0.502 539 HA ARG 114 HA ARG 114 1.592 0.910 -0.292 540 HB2 ARG 114 HB2 ARG 114 -0.158 -0.623 0.514 541 HB3 ARG 114 HB3 ARG 114 -0.164 -1.429 -1.059 542 HG2 ARG 114 HG2 ARG 114 2.265 -1.997 -0.737 543 HG3 ARG 114 HG3 ARG 114 2.212 -1.220 0.854 544 HD2 ARG 114 HD2 ARG 114 0.497 -2.826 1.598 545 HD3 ARG 114 HD3 ARG 114 0.476 -3.587 0.008 546 HE ARG 114 HE ARG 114 2.491 -3.876 2.123 547 HH11 ARG 114 HH11 ARG 114 1.912 -4.457 -1.292 548 HH12 ARG 114 HH12 ARG 114 3.179 -5.650 -1.389 549 HH21 ARG 114 HH21 ARG 114 4.085 -5.394 1.917 550 HH22 ARG 114 HH22 ARG 114 4.373 -6.161 0.383 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -19.998 59.327 -6.687 2 H2 MET 1 H2 MET 1 -18.867 60.273 -5.991 3 H3 MET 1 H3 MET 1 -18.942 58.676 -5.626 4 HA MET 1 HA MET 1 -18.240 59.799 -8.275 5 HB2 MET 1 HB2 MET 1 -16.470 58.417 -6.194 6 HB3 MET 1 HB3 MET 1 -15.999 58.680 -7.872 7 HG2 MET 1 HG2 MET 1 -16.278 61.129 -7.577 8 HG3 MET 1 HG3 MET 1 -16.641 60.869 -5.865 9 HE1 MET 1 HE1 MET 1 -14.754 62.637 -5.247 10 HE2 MET 1 HE2 MET 1 -13.078 62.525 -5.825 11 HE3 MET 1 HE3 MET 1 -14.390 62.854 -6.976 12 H ARG 2 H ARG 2 -17.489 58.196 -9.851 13 HA ARG 2 HA ARG 2 -19.275 55.922 -10.035 14 HB2 ARG 2 HB2 ARG 2 -18.317 55.554 -12.198 15 HB3 ARG 2 HB3 ARG 2 -18.569 57.279 -11.969 16 HG2 ARG 2 HG2 ARG 2 -16.113 57.543 -11.476 17 HG3 ARG 2 HG3 ARG 2 -15.899 55.809 -11.728 18 HD2 ARG 2 HD2 ARG 2 -15.238 56.933 -13.752 19 HD3 ARG 2 HD3 ARG 2 -16.724 56.050 -14.061 20 HE ARG 2 HE ARG 2 -17.885 58.041 -14.381 21 HH11 ARG 2 HH11 ARG 2 -14.687 58.893 -13.204 22 HH12 ARG 2 HH12 ARG 2 -14.911 60.582 -13.570 23 HH21 ARG 2 HH21 ARG 2 -18.097 60.201 -14.808 24 HH22 ARG 2 HH22 ARG 2 -16.792 61.297 -14.458 25 H GLY 3 H GLY 3 -18.567 53.731 -10.623 26 HA2 GLY 3 HA2 GLY 3 -16.078 52.661 -9.514 27 HA3 GLY 3 HA3 GLY 3 -17.505 52.296 -8.540 28 H SER 4 H SER 4 -16.588 50.112 -9.142 29 HA SER 4 HA SER 4 -18.249 48.906 -11.229 30 HB2 SER 4 HB2 SER 4 -16.317 49.482 -12.589 31 HB3 SER 4 HB3 SER 4 -15.216 48.738 -11.420 32 HG SER 4 HG SER 4 -15.744 47.362 -13.232 33 H HIS 5 H HIS 5 -15.355 48.117 -9.250 34 HA HIS 5 HA HIS 5 -14.951 46.595 -7.624 35 HB2 HIS 5 HB2 HIS 5 -17.756 47.432 -6.832 36 HB3 HIS 5 HB3 HIS 5 -16.559 46.703 -5.765 37 HD2 HIS 5 HD2 HIS 5 -14.688 48.220 -4.739 38 HE1 HIS 5 HE1 HIS 5 -15.746 51.912 -6.595 39 HE2 HIS 5 HE2 HIS 5 -14.270 50.822 -4.832 40 H HIS 6 H HIS 6 -15.931 45.264 -10.018 41 HA HIS 6 HA HIS 6 -17.476 42.940 -9.174 42 HB2 HIS 6 HB2 HIS 6 -15.941 43.697 -11.664 43 HB3 HIS 6 HB3 HIS 6 -16.414 42.028 -11.397 44 HD2 HIS 6 HD2 HIS 6 -18.035 45.495 -11.966 45 HE1 HIS 6 HE1 HIS 6 -21.054 42.554 -12.612 46 HE2 HIS 6 HE2 HIS 6 -20.504 45.034 -12.765 47 H HIS 7 H HIS 7 -16.829 40.866 -8.821 48 HA HIS 7 HA HIS 7 -13.997 40.086 -8.778 49 HB2 HIS 7 HB2 HIS 7 -14.324 40.955 -6.493 50 HB3 HIS 7 HB3 HIS 7 -15.756 39.944 -6.290 51 HD2 HIS 7 HD2 HIS 7 -11.901 39.610 -6.730 52 HE1 HIS 7 HE1 HIS 7 -13.283 35.971 -4.976 53 HE2 HIS 7 HE2 HIS 7 -11.218 37.280 -5.697 54 H HIS 8 H HIS 8 -13.723 37.888 -9.143 55 HA HIS 8 HA HIS 8 -16.145 36.172 -9.427 56 HB2 HIS 8 HB2 HIS 8 -14.041 36.560 -11.589 57 HB3 HIS 8 HB3 HIS 8 -15.430 35.480 -11.655 58 HD2 HIS 8 HD2 HIS 8 -17.946 36.810 -11.569 59 HE1 HIS 8 HE1 HIS 8 -16.446 40.398 -13.322 60 HE2 HIS 8 HE2 HIS 8 -18.551 39.103 -12.726 61 H HIS 9 H HIS 9 -15.886 34.168 -8.738 62 HA HIS 9 HA HIS 9 -13.354 32.719 -8.885 63 HB2 HIS 9 HB2 HIS 9 -13.225 34.011 -6.708 64 HB3 HIS 9 HB3 HIS 9 -14.679 33.184 -6.178 65 HD2 HIS 9 HD2 HIS 9 -13.077 32.300 -4.112 66 HE1 HIS 9 HE1 HIS 9 -10.890 29.446 -6.404 67 HE2 HIS 9 HE2 HIS 9 -11.362 30.271 -4.064 68 H HIS 10 H HIS 10 -13.672 30.426 -8.615 69 HA HIS 10 HA HIS 10 -16.369 29.357 -8.239 70 HB2 HIS 10 HB2 HIS 10 -16.431 30.101 -10.611 71 HB3 HIS 10 HB3 HIS 10 -15.022 29.098 -10.958 72 HD2 HIS 10 HD2 HIS 10 -15.805 26.992 -12.239 73 HE1 HIS 10 HE1 HIS 10 -19.405 26.106 -10.123 74 HE2 HIS 10 HE2 HIS 10 -17.847 25.344 -11.990 75 H GLY 11 H GLY 11 -16.469 27.156 -7.969 76 HA2 GLY 11 HA2 GLY 11 -14.619 25.190 -8.619 77 HA3 GLY 11 HA3 GLY 11 -14.178 25.694 -6.981 78 H SER 12 H SER 12 -16.021 23.500 -8.676 79 HA SER 12 HA SER 12 -17.577 22.715 -6.313 80 HB2 SER 12 HB2 SER 12 -19.017 24.408 -7.461 81 HB3 SER 12 HB3 SER 12 -19.000 23.394 -8.917 82 HG SER 12 HG SER 12 -20.852 23.017 -7.553 83 H GLY 58 H GLY 58 -18.022 20.579 -6.255 84 HA2 GLY 58 HA2 GLY 58 -18.248 18.376 -6.825 85 HA3 GLY 58 HA3 GLY 58 -18.248 18.825 -8.523 86 H ALA 59 H ALA 59 -17.167 16.489 -7.598 87 HA ALA 59 HA ALA 59 -14.569 16.586 -8.866 88 HB1 ALA 59 HB1 ALA 59 -14.780 15.567 -5.988 89 HB2 ALA 59 HB2 ALA 59 -13.356 15.403 -7.042 90 HB3 ALA 59 HB3 ALA 59 -13.888 17.010 -6.517 91 H LEU 60 H LEU 60 -14.037 14.574 -9.813 92 HA LEU 60 HA LEU 60 -16.256 12.626 -9.894 93 HB2 LEU 60 HB2 LEU 60 -15.412 11.865 -11.926 94 HB3 LEU 60 HB3 LEU 60 -15.497 13.613 -11.898 95 HG LEU 60 HG LEU 60 -12.927 13.554 -11.437 96 HD11 LEU 60 HD11 LEU 60 -13.348 10.734 -12.537 97 HD12 LEU 60 HD12 LEU 60 -11.794 11.585 -12.490 98 HD13 LEU 60 HD13 LEU 60 -12.594 11.149 -10.984 99 HD21 LEU 60 HD21 LEU 60 -14.002 14.293 -13.511 100 HD22 LEU 60 HD22 LEU 60 -12.521 13.387 -13.868 101 HD23 LEU 60 HD23 LEU 60 -14.116 12.612 -14.071 102 H ALA 61 H ALA 61 -13.331 12.769 -8.229 103 HA ALA 61 HA ALA 61 -12.563 9.978 -8.307 104 HB1 ALA 61 HB1 ALA 61 -11.852 12.212 -6.362 105 HB2 ALA 61 HB2 ALA 61 -11.036 10.638 -6.480 106 HB3 ALA 61 HB3 ALA 61 -10.959 11.774 -7.835 107 H ALA 62 H ALA 62 -12.770 8.370 -6.770 108 HA ALA 62 HA ALA 62 -15.020 8.676 -4.893 109 HB1 ALA 62 HB1 ALA 62 -13.790 6.144 -6.031 110 HB2 ALA 62 HB2 ALA 62 -15.264 6.246 -5.056 111 HB3 ALA 62 HB3 ALA 62 -15.227 6.971 -6.677 112 H LEU 63 H LEU 63 -15.123 7.861 -2.861 113 HA LEU 63 HA LEU 63 -12.537 7.483 -1.419 114 HB2 LEU 63 HB2 LEU 63 -15.019 9.006 -0.524 115 HB3 LEU 63 HB3 LEU 63 -13.603 8.704 0.475 116 HG LEU 63 HG LEU 63 -13.613 10.404 -2.060 117 HD11 LEU 63 HD11 LEU 63 -13.472 11.194 0.881 118 HD12 LEU 63 HD12 LEU 63 -13.369 12.294 -0.511 119 HD13 LEU 63 HD13 LEU 63 -14.873 11.419 -0.188 120 HD21 LEU 63 HD21 LEU 63 -11.403 9.428 -1.675 121 HD22 LEU 63 HD22 LEU 63 -11.382 11.140 -1.214 122 HD23 LEU 63 HD23 LEU 63 -11.464 9.892 0.039 123 H HIS 64 H HIS 64 -12.529 6.131 0.346 124 HA HIS 64 HA HIS 64 -14.642 4.123 0.751 125 HB2 HIS 64 HB2 HIS 64 -12.163 4.943 2.284 126 HB3 HIS 64 HB3 HIS 64 -13.245 3.665 2.835 127 HD2 HIS 64 HD2 HIS 64 -10.197 4.194 0.796 128 HE1 HIS 64 HE1 HIS 64 -11.604 0.335 -0.334 129 HE2 HIS 64 HE2 HIS 64 -9.622 1.921 -0.417 130 H ALA 65 H ALA 65 -16.413 4.359 2.063 131 HA ALA 65 HA ALA 65 -16.811 6.964 3.392 132 HB1 ALA 65 HB1 ALA 65 -18.724 4.668 2.816 133 HB2 ALA 65 HB2 ALA 65 -19.162 6.292 3.383 134 HB3 ALA 65 HB3 ALA 65 -18.445 6.087 1.775 135 H GLU 66 H GLU 66 -16.140 3.689 4.409 136 HA GLU 66 HA GLU 66 -16.720 4.337 7.264 137 HB2 GLU 66 HB2 GLU 66 -17.703 1.930 5.676 138 HB3 GLU 66 HB3 GLU 66 -17.728 2.002 7.427 139 HG2 GLU 66 HG2 GLU 66 -19.256 3.848 5.550 140 HG3 GLU 66 HG3 GLU 66 -19.918 2.493 6.449 141 H GLY 67 H GLY 67 -15.816 2.795 8.795 142 HA2 GLY 67 HA2 GLY 67 -14.206 1.370 9.648 143 HA3 GLY 67 HA3 GLY 67 -13.893 0.821 8.007 144 HA PRO 68 HA PRO 68 -10.109 2.868 9.899 145 HB2 PRO 68 HB2 PRO 68 -8.318 1.329 8.339 146 HB3 PRO 68 HB3 PRO 68 -8.869 0.967 10.011 147 HG2 PRO 68 HG2 PRO 68 -9.910 -0.092 7.380 148 HG3 PRO 68 HG3 PRO 68 -9.637 -0.983 8.911 149 HD2 PRO 68 HD2 PRO 68 -12.097 -0.217 8.197 150 HD3 PRO 68 HD3 PRO 68 -11.584 -0.043 9.902 151 H LEU 69 H LEU 69 -10.934 2.292 6.528 152 HA LEU 69 HA LEU 69 -9.009 4.307 5.530 153 HB2 LEU 69 HB2 LEU 69 -10.877 2.389 4.116 154 HB3 LEU 69 HB3 LEU 69 -9.672 3.422 3.331 155 HG LEU 69 HG LEU 69 -9.109 1.087 5.209 156 HD11 LEU 69 HD11 LEU 69 -8.649 1.484 2.237 157 HD12 LEU 69 HD12 LEU 69 -8.104 0.080 3.185 158 HD13 LEU 69 HD13 LEU 69 -9.836 0.405 2.988 159 HD21 LEU 69 HD21 LEU 69 -7.384 2.760 5.575 160 HD22 LEU 69 HD22 LEU 69 -6.724 1.446 4.605 161 HD23 LEU 69 HD23 LEU 69 -7.178 2.985 3.825 162 H ALA 70 H ALA 70 -12.034 4.629 6.831 163 HA ALA 70 HA ALA 70 -13.583 6.024 5.005 164 HB1 ALA 70 HB1 ALA 70 -13.226 6.613 7.970 165 HB2 ALA 70 HB2 ALA 70 -14.587 7.149 6.960 166 HB3 ALA 70 HB3 ALA 70 -14.334 5.422 7.257 167 H GLY 71 H GLY 71 -13.415 7.838 3.872 168 HA2 GLY 71 HA2 GLY 71 -12.969 10.144 3.504 169 HA3 GLY 71 HA3 GLY 71 -11.756 10.127 4.795 170 H LEU 72 H LEU 72 -10.956 7.443 3.058 171 HA LEU 72 HA LEU 72 -8.868 8.989 1.599 172 HB2 LEU 72 HB2 LEU 72 -8.912 6.106 2.515 173 HB3 LEU 72 HB3 LEU 72 -7.529 6.999 1.906 174 HG LEU 72 HG LEU 72 -8.902 7.408 4.577 175 HD11 LEU 72 HD11 LEU 72 -6.073 6.561 3.831 176 HD12 LEU 72 HD12 LEU 72 -6.762 6.667 5.466 177 HD13 LEU 72 HD13 LEU 72 -7.374 5.460 4.321 178 HD21 LEU 72 HD21 LEU 72 -8.234 9.618 3.805 179 HD22 LEU 72 HD22 LEU 72 -7.109 9.061 5.044 180 HD23 LEU 72 HD23 LEU 72 -6.628 9.008 3.334 181 HA PRO 73 HA PRO 73 -10.072 7.655 -2.536 182 HB2 PRO 73 HB2 PRO 73 -7.687 6.879 -3.650 183 HB3 PRO 73 HB3 PRO 73 -8.139 8.582 -3.401 184 HG2 PRO 73 HG2 PRO 73 -6.487 6.802 -1.566 185 HG3 PRO 73 HG3 PRO 73 -6.045 8.414 -2.181 186 HD2 PRO 73 HD2 PRO 73 -7.097 8.195 0.241 187 HD3 PRO 73 HD3 PRO 73 -7.755 9.452 -0.824 188 H VAL 74 H VAL 74 -10.784 5.877 -3.560 189 HA VAL 74 HA VAL 74 -10.275 3.262 -2.327 190 HB VAL 74 HB VAL 74 -11.912 3.936 -4.792 191 HG11 VAL 74 HG11 VAL 74 -11.826 1.445 -3.037 192 HG12 VAL 74 HG12 VAL 74 -13.029 1.765 -4.307 193 HG13 VAL 74 HG13 VAL 74 -11.336 1.546 -4.745 194 HG21 VAL 74 HG21 VAL 74 -12.817 5.041 -2.772 195 HG22 VAL 74 HG22 VAL 74 -13.850 3.698 -3.249 196 HG23 VAL 74 HG23 VAL 74 -12.732 3.501 -1.881 197 H THR 75 H THR 75 -9.076 5.024 -5.140 198 HA THR 75 HA THR 75 -7.170 2.809 -5.749 199 HB THR 75 HB THR 75 -7.665 2.796 -8.029 200 HG1 THR 75 HG1 THR 75 -9.152 4.447 -8.899 201 HG21 THR 75 HG21 THR 75 -10.411 3.366 -6.850 202 HG22 THR 75 HG22 THR 75 -10.056 2.484 -8.350 203 HG23 THR 75 HG23 THR 75 -9.580 1.799 -6.787 204 H ARG 76 H ARG 76 -5.340 3.481 -7.201 205 HA ARG 76 HA ARG 76 -4.219 5.995 -6.317 206 HB2 ARG 76 HB2 ARG 76 -2.315 5.511 -7.600 207 HB3 ARG 76 HB3 ARG 76 -2.874 3.975 -6.952 208 HG2 ARG 76 HG2 ARG 76 -3.872 3.430 -9.200 209 HG3 ARG 76 HG3 ARG 76 -3.316 4.997 -9.798 210 HD2 ARG 76 HD2 ARG 76 -1.673 3.518 -10.542 211 HD3 ARG 76 HD3 ARG 76 -0.957 4.320 -9.138 212 HE ARG 76 HE ARG 76 -2.278 1.820 -8.435 213 HH11 ARG 76 HH11 ARG 76 0.780 3.097 -9.632 214 HH12 ARG 76 HH12 ARG 76 1.555 1.535 -9.527 215 HH21 ARG 76 HH21 ARG 76 -1.157 -0.075 -8.145 216 HH22 ARG 76 HH22 ARG 76 0.515 -0.181 -8.602 217 H SER 77 H SER 77 -6.255 5.225 -9.050 218 HA SER 77 HA SER 77 -5.816 7.715 -10.487 219 HB2 SER 77 HB2 SER 77 -6.776 5.652 -11.500 220 HB3 SER 77 HB3 SER 77 -8.248 5.896 -10.537 221 HG SER 77 HG SER 77 -8.374 6.815 -12.679 222 H ASP 78 H ASP 78 -8.283 6.644 -8.037 223 HA ASP 78 HA ASP 78 -9.570 9.208 -7.871 224 HB2 ASP 78 HB2 ASP 78 -9.261 7.115 -5.678 225 HB3 ASP 78 HB3 ASP 78 -10.371 8.489 -5.652 226 H ALA 79 H ALA 79 -6.750 7.878 -6.077 227 HA ALA 79 HA ALA 79 -6.299 10.138 -4.411 228 HB1 ALA 79 HB1 ALA 79 -4.219 8.242 -5.595 229 HB2 ALA 79 HB2 ALA 79 -4.125 9.140 -4.066 230 HB3 ALA 79 HB3 ALA 79 -5.280 7.807 -4.251 231 H ARG 80 H ARG 80 -4.874 9.429 -7.632 232 HA ARG 80 HA ARG 80 -3.380 11.837 -8.033 233 HB2 ARG 80 HB2 ARG 80 -3.110 9.790 -9.303 234 HB3 ARG 80 HB3 ARG 80 -4.735 9.877 -9.951 235 HG2 ARG 80 HG2 ARG 80 -2.781 12.116 -10.510 236 HG3 ARG 80 HG3 ARG 80 -2.622 10.577 -11.356 237 HD2 ARG 80 HD2 ARG 80 -4.995 10.764 -12.116 238 HD3 ARG 80 HD3 ARG 80 -5.048 12.408 -11.434 239 HE ARG 80 HE ARG 80 -2.771 12.203 -13.131 240 HH11 ARG 80 HH11 ARG 80 -6.252 12.100 -13.594 241 HH12 ARG 80 HH12 ARG 80 -6.145 12.782 -15.190 242 HH21 ARG 80 HH21 ARG 80 -2.723 13.068 -15.188 243 HH22 ARG 80 HH22 ARG 80 -4.205 13.298 -16.061 244 H VAL 81 H VAL 81 -6.806 11.149 -8.859 245 HA VAL 81 HA VAL 81 -7.220 13.843 -9.890 246 HB VAL 81 HB VAL 81 -9.164 11.634 -9.159 247 HG11 VAL 81 HG11 VAL 81 -9.719 14.297 -10.565 248 HG12 VAL 81 HG12 VAL 81 -10.852 12.935 -10.441 249 HG13 VAL 81 HG13 VAL 81 -10.371 13.804 -8.988 250 HG21 VAL 81 HG21 VAL 81 -7.712 11.208 -11.146 251 HG22 VAL 81 HG22 VAL 81 -9.402 11.429 -11.598 252 HG23 VAL 81 HG23 VAL 81 -8.246 12.753 -11.851 253 H LEU 82 H LEU 82 -7.806 12.390 -6.608 254 HA LEU 82 HA LEU 82 -9.054 14.742 -5.536 255 HB2 LEU 82 HB2 LEU 82 -7.362 12.535 -4.313 256 HB3 LEU 82 HB3 LEU 82 -8.057 13.812 -3.328 257 HG LEU 82 HG LEU 82 -9.795 12.093 -5.123 258 HD11 LEU 82 HD11 LEU 82 -9.185 11.602 -2.189 259 HD12 LEU 82 HD12 LEU 82 -10.216 10.626 -3.283 260 HD13 LEU 82 HD13 LEU 82 -8.471 10.701 -3.537 261 HD21 LEU 82 HD21 LEU 82 -10.862 14.152 -4.295 262 HD22 LEU 82 HD22 LEU 82 -11.577 12.717 -3.545 263 HD23 LEU 82 HD23 LEU 82 -10.424 13.713 -2.629 264 H ILE 83 H ILE 83 -5.560 13.844 -5.680 265 HA ILE 83 HA ILE 83 -4.614 16.298 -4.509 266 HB ILE 83 HB ILE 83 -3.264 14.397 -6.462 267 HG12 ILE 83 HG12 ILE 83 -2.767 14.699 -3.464 268 HG13 ILE 83 HG13 ILE 83 -3.960 13.570 -4.094 269 HG21 ILE 83 HG21 ILE 83 -2.132 16.738 -4.853 270 HG22 ILE 83 HG22 ILE 83 -1.125 15.509 -5.622 271 HG23 ILE 83 HG23 ILE 83 -2.122 16.560 -6.620 272 HD11 ILE 83 HD11 ILE 83 -0.976 13.471 -4.648 273 HD12 ILE 83 HD12 ILE 83 -1.953 12.338 -3.703 274 HD13 ILE 83 HD13 ILE 83 -2.199 12.451 -5.450 275 H PHE 84 H PHE 84 -5.227 15.425 -7.961 276 HA PHE 84 HA PHE 84 -4.437 17.901 -9.075 277 HB2 PHE 84 HB2 PHE 84 -4.916 15.861 -10.396 278 HB3 PHE 84 HB3 PHE 84 -6.603 15.961 -9.944 279 HD1 PHE 84 HD2 PHE 84 -4.818 19.098 -10.870 280 HD2 PHE 84 HD1 PHE 84 -7.355 15.884 -12.236 281 HE1 PHE 84 HE2 PHE 84 -5.293 20.358 -12.907 282 HE2 PHE 84 HE1 PHE 84 -7.874 17.189 -14.282 283 HZ PHE 84 HZ PHE 84 -6.843 19.426 -14.634 284 H ASN 85 H ASN 85 -7.763 16.930 -8.000 285 HA ASN 85 HA ASN 85 -8.871 19.458 -8.742 286 HB2 ASN 85 HB2 ASN 85 -9.968 17.096 -8.388 287 HB3 ASN 85 HB3 ASN 85 -10.120 17.583 -6.698 288 HD21 ASN 85 HD22 ASN 85 -10.973 20.237 -6.811 289 HD22 ASN 85 HD21 ASN 85 -12.490 20.261 -7.698 290 H GLU 86 H GLU 86 -7.517 18.256 -5.655 291 HA GLU 86 HA GLU 86 -8.212 20.539 -4.043 292 HB2 GLU 86 HB2 GLU 86 -7.474 18.378 -3.120 293 HB3 GLU 86 HB3 GLU 86 -5.868 18.600 -3.836 294 HG2 GLU 86 HG2 GLU 86 -5.503 20.600 -2.434 295 HG3 GLU 86 HG3 GLU 86 -7.139 20.460 -1.781 296 H TRP 87 H TRP 87 -5.175 19.784 -5.954 297 HA TRP 87 HA TRP 87 -3.957 22.304 -5.605 298 HB2 TRP 87 HB2 TRP 87 -2.729 20.509 -6.629 299 HB3 TRP 87 HB3 TRP 87 -3.917 20.340 -7.916 300 HD1 TRP 87 HD1 TRP 87 -1.109 22.635 -6.764 301 HE1 TRP 87 HE1 TRP 87 -0.398 24.222 -8.675 302 HE3 TRP 87 HE3 TRP 87 -4.733 21.459 -10.185 303 HZ2 TRP 87 HZ2 TRP 87 -1.205 24.766 -11.376 304 HZ3 TRP 87 HZ3 TRP 87 -4.786 22.602 -12.390 305 HH2 TRP 87 HH2 TRP 87 -3.027 24.239 -12.999 306 H GLU 88 H GLU 88 -6.398 21.336 -8.114 307 HA GLU 88 HA GLU 88 -6.268 23.781 -9.502 308 HB2 GLU 88 HB2 GLU 88 -7.179 21.567 -10.240 309 HB3 GLU 88 HB3 GLU 88 -8.641 21.874 -9.315 310 HG2 GLU 88 HG2 GLU 88 -7.558 23.734 -11.473 311 HG3 GLU 88 HG3 GLU 88 -8.575 22.351 -11.850 312 H GLU 89 H GLU 89 -8.586 22.827 -6.899 313 HA GLU 89 HA GLU 89 -9.993 25.321 -6.829 314 HB2 GLU 89 HB2 GLU 89 -10.759 23.194 -5.790 315 HB3 GLU 89 HB3 GLU 89 -9.479 23.332 -4.574 316 HG2 GLU 89 HG2 GLU 89 -10.468 25.457 -3.770 317 HG3 GLU 89 HG3 GLU 89 -11.696 25.377 -5.039 318 H ARG 90 H ARG 90 -7.122 24.200 -4.959 319 HA ARG 90 HA ARG 90 -6.686 26.619 -3.470 320 HB2 ARG 90 HB2 ARG 90 -4.757 24.524 -4.555 321 HB3 ARG 90 HB3 ARG 90 -4.246 25.838 -3.493 322 HG2 ARG 90 HG2 ARG 90 -6.527 24.100 -2.601 323 HG3 ARG 90 HG3 ARG 90 -4.907 23.411 -2.653 324 HD2 ARG 90 HD2 ARG 90 -5.432 24.333 -0.390 325 HD3 ARG 90 HD3 ARG 90 -4.038 25.096 -1.134 326 HE ARG 90 HE ARG 90 -5.143 27.130 -1.236 327 HH11 ARG 90 HH11 ARG 90 -7.544 24.745 -0.286 328 HH12 ARG 90 HH12 ARG 90 -8.700 25.972 0.143 329 HH21 ARG 90 HH21 ARG 90 -6.625 28.609 -0.711 330 HH22 ARG 90 HH22 ARG 90 -8.173 28.121 -0.046 331 H LYS 91 H LYS 91 -5.262 25.567 -6.505 332 HA LYS 91 HA LYS 91 -3.737 27.831 -7.142 333 HB2 LYS 91 HB2 LYS 91 -3.793 25.616 -8.397 334 HB3 LYS 91 HB3 LYS 91 -5.258 26.169 -9.201 335 HG2 LYS 91 HG2 LYS 91 -3.424 26.501 -10.671 336 HG3 LYS 91 HG3 LYS 91 -3.906 28.109 -10.132 337 HD2 LYS 91 HD2 LYS 91 -2.029 28.221 -8.579 338 HD3 LYS 91 HD3 LYS 91 -1.660 26.505 -8.828 339 HE2 LYS 91 HE2 LYS 91 -1.146 26.983 -11.232 340 HE3 LYS 91 HE3 LYS 91 -1.449 28.698 -10.943 341 HZ1 LYS 91 HZ1 LYS 91 0.641 27.130 -9.482 342 HZ2 LYS 91 HZ2 LYS 91 0.945 28.090 -10.789 343 HZ3 LYS 91 HZ3 LYS 91 0.387 28.760 -9.403 344 H LYS 92 H LYS 92 -7.225 27.383 -7.909 345 HA LYS 92 HA LYS 92 -7.546 30.039 -9.019 346 HB2 LYS 92 HB2 LYS 92 -9.532 28.081 -7.797 347 HB3 LYS 92 HB3 LYS 92 -10.000 29.587 -8.585 348 HG2 LYS 92 HG2 LYS 92 -8.418 27.398 -10.001 349 HG3 LYS 92 HG3 LYS 92 -10.183 27.506 -9.992 350 HD2 LYS 92 HD2 LYS 92 -10.104 29.684 -11.110 351 HD3 LYS 92 HD3 LYS 92 -8.342 29.715 -11.001 352 HE2 LYS 92 HE2 LYS 92 -9.049 29.141 -13.255 353 HE3 LYS 92 HE3 LYS 92 -8.118 27.838 -12.515 354 HZ1 LYS 92 HZ1 LYS 92 -11.092 27.838 -12.630 355 HZ2 LYS 92 HZ2 LYS 92 -10.140 27.073 -13.716 356 HZ3 LYS 92 HZ3 LYS 92 -10.111 26.585 -12.160 357 H SER 93 H SER 93 -7.950 28.879 -5.628 358 HA SER 93 HA SER 93 -8.720 31.502 -4.647 359 HB2 SER 93 HB2 SER 93 -7.631 29.049 -3.232 360 HB3 SER 93 HB3 SER 93 -8.244 30.501 -2.414 361 HG SER 93 HG SER 93 -9.823 28.775 -2.676 362 H ASP 94 H ASP 94 -5.589 30.003 -5.127 363 HA ASP 94 HA ASP 94 -4.008 32.188 -3.916 364 HB2 ASP 94 HB2 ASP 94 -3.902 29.243 -3.125 365 HB3 ASP 94 HB3 ASP 94 -2.748 30.472 -2.642 366 HA PRO 95 HA PRO 95 -2.589 30.835 -7.955 367 HB2 PRO 95 HB2 PRO 95 -0.885 32.894 -8.633 368 HB3 PRO 95 HB3 PRO 95 -2.667 33.045 -8.558 369 HG2 PRO 95 HG2 PRO 95 -0.664 33.708 -6.359 370 HG3 PRO 95 HG3 PRO 95 -1.950 34.776 -7.037 371 HD2 PRO 95 HD2 PRO 95 -2.378 33.381 -4.786 372 HD3 PRO 95 HD3 PRO 95 -3.674 33.415 -6.027 373 H TRP 96 H TRP 96 -0.289 31.010 -5.353 374 HA TRP 96 HA TRP 96 2.098 30.574 -6.832 375 HB2 TRP 96 HB2 TRP 96 3.148 30.314 -4.738 376 HB3 TRP 96 HB3 TRP 96 1.871 31.484 -4.486 377 HD1 TRP 96 HD1 TRP 96 -0.422 30.420 -3.277 378 HE1 TRP 96 HE1 TRP 96 -0.624 28.661 -1.411 379 HE3 TRP 96 HE3 TRP 96 4.157 28.208 -3.776 380 HZ2 TRP 96 HZ2 TRP 96 0.995 26.543 -0.299 381 HZ3 TRP 96 HZ3 TRP 96 4.795 26.287 -2.323 382 HH2 TRP 96 HH2 TRP 96 3.227 25.455 -0.583 383 H LEU 97 H LEU 97 -0.265 28.182 -5.782 384 HA LEU 97 HA LEU 97 1.528 26.251 -5.000 385 HB2 LEU 97 HB2 LEU 97 -0.919 26.513 -4.423 386 HB3 LEU 97 HB3 LEU 97 -1.307 25.756 -5.970 387 HG LEU 97 HG LEU 97 -0.073 23.692 -5.198 388 HD11 LEU 97 HD11 LEU 97 -0.021 25.130 -2.517 389 HD12 LEU 97 HD12 LEU 97 0.357 23.417 -2.783 390 HD13 LEU 97 HD13 LEU 97 1.405 24.662 -3.466 391 HD21 LEU 97 HD21 LEU 97 -2.528 24.001 -4.999 392 HD22 LEU 97 HD22 LEU 97 -1.861 22.944 -3.734 393 HD23 LEU 97 HD23 LEU 97 -2.279 24.629 -3.349 394 H ARG 98 H ARG 98 2.321 24.288 -5.802 395 HA ARG 98 HA ARG 98 2.154 23.742 -8.752 396 HB2 ARG 98 HB2 ARG 98 4.258 22.966 -6.682 397 HB3 ARG 98 HB3 ARG 98 4.276 22.450 -8.363 398 HG2 ARG 98 HG2 ARG 98 4.466 25.355 -7.440 399 HG3 ARG 98 HG3 ARG 98 5.826 24.320 -7.879 400 HD2 ARG 98 HD2 ARG 98 4.869 24.042 -10.159 401 HD3 ARG 98 HD3 ARG 98 3.580 25.195 -9.740 402 HE ARG 98 HE ARG 98 5.922 26.542 -9.123 403 HH11 ARG 98 HH11 ARG 98 4.700 25.136 -12.102 404 HH12 ARG 98 HH12 ARG 98 5.602 26.244 -13.096 405 HH21 ARG 98 HH21 ARG 98 7.048 27.914 -10.459 406 HH22 ARG 98 HH22 ARG 98 6.888 27.777 -12.186 407 H LEU 99 H LEU 99 1.950 21.598 -9.466 408 HA LEU 99 HA LEU 99 0.289 19.870 -7.683 409 HB2 LEU 99 HB2 LEU 99 -0.547 21.007 -9.871 410 HB3 LEU 99 HB3 LEU 99 0.456 19.858 -10.708 411 HG LEU 99 HG LEU 99 -2.081 19.310 -9.083 412 HD11 LEU 99 HD11 LEU 99 -1.179 18.710 -11.934 413 HD12 LEU 99 HD12 LEU 99 -2.741 18.268 -11.234 414 HD13 LEU 99 HD13 LEU 99 -2.320 19.981 -11.447 415 HD21 LEU 99 HD21 LEU 99 -0.604 17.570 -8.398 416 HD22 LEU 99 HD22 LEU 99 -1.828 16.982 -9.502 417 HD23 LEU 99 HD23 LEU 99 -0.160 17.243 -10.104 418 H ASP 100 H ASP 100 1.339 18.072 -6.906 419 HA ASP 100 HA ASP 100 3.168 16.536 -8.704 420 HB2 ASP 100 HB2 ASP 100 3.699 17.334 -5.820 421 HB3 ASP 100 HB3 ASP 100 4.549 16.036 -6.653 422 H MET 101 H MET 101 2.425 14.541 -8.977 423 HA MET 101 HA MET 101 1.359 12.933 -6.780 424 HB2 MET 101 HB2 MET 101 -0.809 12.462 -8.202 425 HB3 MET 101 HB3 MET 101 -0.691 13.788 -7.076 426 HG2 MET 101 HG2 MET 101 -1.807 14.649 -8.908 427 HG3 MET 101 HG3 MET 101 -0.199 15.319 -8.964 428 HE1 MET 101 HE1 MET 101 -1.800 15.885 -11.432 429 HE2 MET 101 HE2 MET 101 -2.077 14.579 -12.595 430 HE3 MET 101 HE3 MET 101 -2.904 14.548 -11.017 431 H SER 102 H SER 102 3.587 12.312 -7.718 432 HA SER 102 HA SER 102 3.551 10.228 -9.753 433 HB2 SER 102 HB2 SER 102 5.696 9.592 -8.748 434 HB3 SER 102 HB3 SER 102 5.629 11.343 -9.007 435 HG SER 102 HG SER 102 6.394 10.988 -6.927 436 H ASP 103 H ASP 103 3.698 7.900 -9.249 437 HA ASP 103 HA ASP 103 1.756 6.826 -7.520 438 HB2 ASP 103 HB2 ASP 103 4.374 5.601 -8.487 439 HB3 ASP 103 HB3 ASP 103 3.071 4.703 -7.722 440 H LYS 104 H LYS 104 5.191 7.528 -6.822 441 HA LYS 104 HA LYS 104 5.249 6.564 -4.116 442 HB2 LYS 104 HB2 LYS 104 6.860 8.760 -5.494 443 HB3 LYS 104 HB3 LYS 104 7.200 8.124 -3.879 444 HG2 LYS 104 HG2 LYS 104 7.513 5.849 -4.833 445 HG3 LYS 104 HG3 LYS 104 7.228 6.492 -6.460 446 HD2 LYS 104 HD2 LYS 104 9.181 8.001 -6.216 447 HD3 LYS 104 HD3 LYS 104 9.476 7.357 -4.585 448 HE2 LYS 104 HE2 LYS 104 9.776 5.079 -5.546 449 HE3 LYS 104 HE3 LYS 104 9.487 5.723 -7.168 450 HZ1 LYS 104 HZ1 LYS 104 11.753 6.516 -5.401 451 HZ2 LYS 104 HZ2 LYS 104 11.869 5.539 -6.702 452 HZ3 LYS 104 HZ3 LYS 104 11.485 7.111 -6.902 453 H ALA 105 H ALA 105 4.335 9.846 -5.381 454 HA ALA 105 HA ALA 105 3.882 10.993 -2.788 455 HB1 ALA 105 HB1 ALA 105 2.603 11.651 -5.457 456 HB2 ALA 105 HB2 ALA 105 2.633 12.690 -4.020 457 HB3 ALA 105 HB3 ALA 105 4.147 12.302 -4.864 458 H ILE 106 H ILE 106 1.762 9.099 -4.944 459 HA ILE 106 HA ILE 106 -0.559 9.371 -3.226 460 HB ILE 106 HB ILE 106 0.158 7.557 -5.539 461 HG12 ILE 106 HG12 ILE 106 -1.961 8.589 -6.436 462 HG13 ILE 106 HG13 ILE 106 -2.079 9.557 -4.961 463 HG21 ILE 106 HG21 ILE 106 -2.321 7.221 -3.785 464 HG22 ILE 106 HG22 ILE 106 -2.097 6.518 -5.401 465 HG23 ILE 106 HG23 ILE 106 -1.055 6.011 -4.088 466 HD11 ILE 106 HD11 ILE 106 0.144 9.658 -7.003 467 HD12 ILE 106 HD12 ILE 106 -1.170 10.830 -6.811 468 HD13 ILE 106 HD13 ILE 106 0.066 10.685 -5.545 469 H PHE 107 H PHE 107 1.888 6.760 -3.481 470 HA PHE 107 HA PHE 107 0.686 5.242 -1.365 471 HB2 PHE 107 HB2 PHE 107 3.619 5.131 -2.076 472 HB3 PHE 107 HB3 PHE 107 2.616 3.884 -1.308 473 HD1 PHE 107 HD1 PHE 107 0.170 4.159 -3.178 474 HD2 PHE 107 HD2 PHE 107 4.401 3.755 -3.894 475 HE1 PHE 107 HE1 PHE 107 -0.311 3.141 -5.352 476 HE2 PHE 107 HE2 PHE 107 3.917 2.674 -6.075 477 HZ PHE 107 HZ PHE 107 1.565 2.370 -6.816 478 H ARG 108 H ARG 108 3.102 7.873 -1.202 479 HA ARG 108 HA ARG 108 3.613 7.650 1.645 480 HB2 ARG 108 HB2 ARG 108 3.978 9.846 -0.432 481 HB3 ARG 108 HB3 ARG 108 4.403 10.084 1.244 482 HG2 ARG 108 HG2 ARG 108 5.619 7.865 -0.469 483 HG3 ARG 108 HG3 ARG 108 6.299 9.477 -0.282 484 HD2 ARG 108 HD2 ARG 108 7.511 8.219 1.241 485 HD3 ARG 108 HD3 ARG 108 6.319 9.057 2.240 486 HE ARG 108 HE ARG 108 5.703 6.294 1.288 487 HH11 ARG 108 HH11 ARG 108 6.858 8.186 4.005 488 HH12 ARG 108 HH12 ARG 108 6.530 6.914 5.150 489 HH21 ARG 108 HH21 ARG 108 5.274 4.728 2.811 490 HH22 ARG 108 HH22 ARG 108 5.670 5.006 4.480 491 H ARG 109 H ARG 109 1.247 9.632 -0.202 492 HA ARG 109 HA ARG 109 0.122 10.815 2.238 493 HB2 ARG 109 HB2 ARG 109 -0.854 10.617 -0.642 494 HB3 ARG 109 HB3 ARG 109 -1.812 11.340 0.653 495 HG2 ARG 109 HG2 ARG 109 -0.017 12.975 1.128 496 HG3 ARG 109 HG3 ARG 109 0.978 12.275 -0.157 497 HD2 ARG 109 HD2 ARG 109 -0.144 14.304 -0.961 498 HD3 ARG 109 HD3 ARG 109 -0.701 12.887 -1.835 499 HE ARG 109 HE ARG 109 -2.827 13.045 -0.835 500 HH11 ARG 109 HH11 ARG 109 -0.801 15.537 0.577 501 HH12 ARG 109 HH12 ARG 109 -2.156 16.322 1.339 502 HH21 ARG 109 HH21 ARG 109 -4.497 14.064 0.200 503 HH22 ARG 109 HH22 ARG 109 -4.194 15.526 1.092 504 H TYR 110 H TYR 110 -0.696 8.001 0.283 505 HA TYR 110 HA TYR 110 -2.882 7.236 2.170 506 HB2 TYR 110 HB2 TYR 110 -2.812 6.874 -0.832 507 HB3 TYR 110 HB3 TYR 110 -4.153 6.581 0.262 508 HD1 TYR 110 HD2 TYR 110 -4.821 8.777 1.750 509 HD2 TYR 110 HD1 TYR 110 -2.852 8.817 -2.078 510 HE1 TYR 110 HE2 TYR 110 -5.697 11.073 1.320 511 HE2 TYR 110 HE1 TYR 110 -3.774 11.087 -2.537 512 HH TYR 110 HH TYR 110 -5.206 12.766 -1.799 513 HA PRO 111 HA PRO 111 0.411 4.039 2.037 514 HB2 PRO 111 HB2 PRO 111 0.212 3.062 4.591 515 HB3 PRO 111 HB3 PRO 111 0.999 4.616 4.180 516 HG2 PRO 111 HG2 PRO 111 -1.853 4.169 5.124 517 HG3 PRO 111 HG3 PRO 111 -0.643 5.322 5.777 518 HD2 PRO 111 HD2 PRO 111 -2.504 6.117 3.991 519 HD3 PRO 111 HD3 PRO 111 -0.825 6.729 3.878 520 H HIS 112 H HIS 112 -2.979 3.553 2.306 521 HA HIS 112 HA HIS 112 -2.882 0.628 2.373 522 HB2 HIS 112 HB2 HIS 112 -5.252 0.739 2.260 523 HB3 HIS 112 HB3 HIS 112 -4.663 1.902 3.443 524 HD2 HIS 112 HD2 HIS 112 -6.982 1.620 0.591 525 HE1 HIS 112 HE1 HIS 112 -6.205 5.791 0.797 526 HE2 HIS 112 HE2 HIS 112 -7.720 4.039 -0.189 527 H LEU 113 H LEU 113 -2.330 2.890 -0.153 528 HA LEU 113 HA LEU 113 -3.530 1.236 -2.247 529 HB2 LEU 113 HB2 LEU 113 -1.894 3.783 -2.271 530 HB3 LEU 113 HB3 LEU 113 -2.197 2.893 -3.753 531 HG LEU 113 HG LEU 113 -3.771 4.755 -3.520 532 HD11 LEU 113 HD11 LEU 113 -5.245 2.115 -3.157 533 HD12 LEU 113 HD12 LEU 113 -5.880 3.612 -3.823 534 HD13 LEU 113 HD13 LEU 113 -4.588 2.732 -4.694 535 HD21 LEU 113 HD21 LEU 113 -3.848 4.731 -1.022 536 HD22 LEU 113 HD22 LEU 113 -5.430 4.861 -1.825 537 HD23 LEU 113 HD23 LEU 113 -4.909 3.320 -1.129 538 H ARG 114 H ARG 114 -0.196 1.588 -0.983 539 HA ARG 114 HA ARG 114 0.437 -1.011 -2.157 540 HB2 ARG 114 HB2 ARG 114 0.997 0.610 -3.972 541 HB3 ARG 114 HB3 ARG 114 2.153 1.393 -2.895 542 HG2 ARG 114 HG2 ARG 114 2.371 -1.577 -3.428 543 HG3 ARG 114 HG3 ARG 114 2.889 -0.441 -4.671 544 HD2 ARG 114 HD2 ARG 114 4.564 0.529 -3.309 545 HD3 ARG 114 HD3 ARG 114 3.970 -0.224 -1.839 546 HE ARG 114 HE ARG 114 5.658 -1.437 -3.878 547 HH11 ARG 114 HH11 ARG 114 3.481 -2.196 -1.195 548 HH12 ARG 114 HH12 ARG 114 4.218 -3.765 -0.969 549 HH21 ARG 114 HH21 ARG 114 6.503 -3.450 -3.512 550 HH22 ARG 114 HH22 ARG 114 5.867 -4.454 -2.243 Start of MODEL 14 1 H1 MET 1 H1 MET 1 7.346 45.644 -5.261 2 H2 MET 1 H2 MET 1 6.818 47.183 -5.058 3 H3 MET 1 H3 MET 1 7.743 46.805 -6.339 4 HA MET 1 HA MET 1 5.481 47.086 -7.056 5 HB2 MET 1 HB2 MET 1 6.437 44.198 -7.247 6 HB3 MET 1 HB3 MET 1 4.999 44.818 -8.049 7 HG2 MET 1 HG2 MET 1 6.641 44.904 -9.688 8 HG3 MET 1 HG3 MET 1 6.408 46.565 -9.174 9 HE1 MET 1 HE1 MET 1 8.810 43.591 -9.663 10 HE2 MET 1 HE2 MET 1 10.190 43.949 -8.602 11 HE3 MET 1 HE3 MET 1 8.640 43.451 -7.896 12 H ARG 2 H ARG 2 5.293 43.991 -5.143 13 HA ARG 2 HA ARG 2 3.476 42.989 -4.210 14 HB2 ARG 2 HB2 ARG 2 3.016 45.723 -2.951 15 HB3 ARG 2 HB3 ARG 2 2.249 44.217 -2.474 16 HG2 ARG 2 HG2 ARG 2 3.876 44.069 -0.965 17 HG3 ARG 2 HG3 ARG 2 4.826 43.397 -2.291 18 HD2 ARG 2 HD2 ARG 2 5.747 45.689 -2.727 19 HD3 ARG 2 HD3 ARG 2 4.762 46.309 -1.385 20 HE ARG 2 HE ARG 2 6.520 44.077 -0.659 21 HH11 ARG 2 HH11 ARG 2 6.411 47.583 -0.861 22 HH12 ARG 2 HH12 ARG 2 7.707 47.773 0.286 23 HH21 ARG 2 HH21 ARG 2 8.155 44.400 0.798 24 HH22 ARG 2 HH22 ARG 2 8.668 46.014 1.198 25 H GLY 3 H GLY 3 2.930 43.139 -6.658 26 HA2 GLY 3 HA2 GLY 3 0.024 43.600 -6.880 27 HA3 GLY 3 HA3 GLY 3 1.032 44.627 -7.898 28 H SER 4 H SER 4 -0.128 43.657 -9.624 29 HA SER 4 HA SER 4 -0.520 42.343 -11.376 30 HB2 SER 4 HB2 SER 4 1.975 42.162 -11.492 31 HB3 SER 4 HB3 SER 4 1.834 40.582 -10.695 32 HG SER 4 HG SER 4 1.832 40.448 -13.020 33 H HIS 5 H HIS 5 -1.472 40.402 -12.100 34 HA HIS 5 HA HIS 5 -2.349 38.356 -10.173 35 HB2 HIS 5 HB2 HIS 5 -3.778 40.305 -9.623 36 HB3 HIS 5 HB3 HIS 5 -4.257 40.450 -11.309 37 HD2 HIS 5 HD2 HIS 5 -4.907 38.392 -8.141 38 HE1 HIS 5 HE1 HIS 5 -7.886 37.258 -10.979 39 HE2 HIS 5 HE2 HIS 5 -7.156 37.072 -8.546 40 H HIS 6 H HIS 6 -2.733 36.480 -11.257 41 HA HIS 6 HA HIS 6 -3.930 36.442 -13.923 42 HB2 HIS 6 HB2 HIS 6 -1.559 36.756 -14.514 43 HB3 HIS 6 HB3 HIS 6 -1.108 35.376 -13.509 44 HD2 HIS 6 HD2 HIS 6 -0.724 33.240 -14.903 45 HE1 HIS 6 HE1 HIS 6 -3.565 33.841 -18.032 46 HE2 HIS 6 HE2 HIS 6 -1.770 32.276 -17.124 47 H HIS 7 H HIS 7 -5.032 34.614 -14.320 48 HA HIS 7 HA HIS 7 -4.559 32.108 -12.830 49 HB2 HIS 7 HB2 HIS 7 -7.177 33.661 -12.780 50 HB3 HIS 7 HB3 HIS 7 -7.107 31.922 -12.530 51 HD2 HIS 7 HD2 HIS 7 -5.928 35.200 -10.834 52 HE1 HIS 7 HE1 HIS 7 -5.826 32.126 -7.888 53 HE2 HIS 7 HE2 HIS 7 -5.555 34.623 -8.288 54 H HIS 8 H HIS 8 -5.178 30.273 -13.970 55 HA HIS 8 HA HIS 8 -6.789 30.477 -16.414 56 HB2 HIS 8 HB2 HIS 8 -4.379 30.988 -17.066 57 HB3 HIS 8 HB3 HIS 8 -3.969 29.346 -16.577 58 HD2 HIS 8 HD2 HIS 8 -3.218 28.868 -19.145 59 HE1 HIS 8 HE1 HIS 8 -7.123 28.941 -20.865 60 HE2 HIS 8 HE2 HIS 8 -4.680 28.344 -21.275 61 H HIS 9 H HIS 9 -7.217 28.363 -17.350 62 HA HIS 9 HA HIS 9 -8.235 26.387 -17.275 63 HB2 HIS 9 HB2 HIS 9 -6.113 25.563 -15.278 64 HB3 HIS 9 HB3 HIS 9 -7.166 24.485 -16.182 65 HD2 HIS 9 HD2 HIS 9 -3.855 26.184 -16.424 66 HE1 HIS 9 HE1 HIS 9 -4.705 24.922 -20.412 67 HE2 HIS 9 HE2 HIS 9 -2.899 25.816 -18.856 68 H HIS 10 H HIS 10 -9.810 25.110 -16.383 69 HA HIS 10 HA HIS 10 -10.679 25.525 -13.583 70 HB2 HIS 10 HB2 HIS 10 -12.940 26.300 -14.366 71 HB3 HIS 10 HB3 HIS 10 -11.635 27.433 -14.638 72 HD2 HIS 10 HD2 HIS 10 -11.476 28.465 -16.978 73 HE1 HIS 10 HE1 HIS 10 -13.717 25.614 -19.226 74 HE2 HIS 10 HE2 HIS 10 -12.486 27.840 -19.333 75 H GLY 11 H GLY 11 -9.740 23.187 -15.111 76 HA2 GLY 11 HA2 GLY 11 -11.812 21.528 -16.082 77 HA3 GLY 11 HA3 GLY 11 -10.236 20.983 -15.504 78 H SER 12 H SER 12 -10.738 21.989 -12.734 79 HA SER 12 HA SER 12 -11.401 21.050 -10.739 80 HB2 SER 12 HB2 SER 12 -12.904 22.908 -11.570 81 HB3 SER 12 HB3 SER 12 -14.109 21.666 -11.947 82 HG SER 12 HG SER 12 -14.402 22.551 -9.834 83 H GLY 58 H GLY 58 -10.679 18.795 -11.718 84 HA2 GLY 58 HA2 GLY 58 -12.580 16.920 -12.627 85 HA3 GLY 58 HA3 GLY 58 -10.989 16.528 -11.991 86 H ALA 59 H ALA 59 -14.358 16.365 -11.432 87 HA ALA 59 HA ALA 59 -14.112 15.804 -8.561 88 HB1 ALA 59 HB1 ALA 59 -16.547 16.247 -10.324 89 HB2 ALA 59 HB2 ALA 59 -16.524 16.187 -8.548 90 HB3 ALA 59 HB3 ALA 59 -15.689 17.500 -9.395 91 H LEU 60 H LEU 60 -13.806 13.792 -11.124 92 HA LEU 60 HA LEU 60 -15.815 11.823 -10.610 93 HB2 LEU 60 HB2 LEU 60 -14.819 10.545 -12.337 94 HB3 LEU 60 HB3 LEU 60 -14.990 12.238 -12.753 95 HG LEU 60 HG LEU 60 -12.497 12.529 -12.348 96 HD11 LEU 60 HD11 LEU 60 -12.584 9.478 -12.235 97 HD12 LEU 60 HD12 LEU 60 -11.126 10.421 -12.604 98 HD13 LEU 60 HD13 LEU 60 -11.879 10.573 -11.024 99 HD21 LEU 60 HD21 LEU 60 -13.545 12.292 -14.555 100 HD22 LEU 60 HD22 LEU 60 -11.949 11.524 -14.530 101 HD23 LEU 60 HD23 LEU 60 -13.423 10.525 -14.436 102 H ALA 61 H ALA 61 -12.998 12.295 -8.856 103 HA ALA 61 HA ALA 61 -12.135 9.621 -8.355 104 HB1 ALA 61 HB1 ALA 61 -11.858 12.126 -6.643 105 HB2 ALA 61 HB2 ALA 61 -10.947 10.618 -6.439 106 HB3 ALA 61 HB3 ALA 61 -10.732 11.582 -7.908 107 H ALA 62 H ALA 62 -12.598 8.110 -6.845 108 HA ALA 62 HA ALA 62 -14.954 8.547 -5.119 109 HB1 ALA 62 HB1 ALA 62 -13.746 5.948 -6.153 110 HB2 ALA 62 HB2 ALA 62 -15.258 6.102 -5.245 111 HB3 ALA 62 HB3 ALA 62 -15.135 6.794 -6.872 112 H LEU 63 H LEU 63 -15.175 7.585 -3.079 113 HA LEU 63 HA LEU 63 -12.635 7.304 -1.539 114 HB2 LEU 63 HB2 LEU 63 -15.178 8.745 -0.699 115 HB3 LEU 63 HB3 LEU 63 -13.760 8.503 0.311 116 HG LEU 63 HG LEU 63 -13.846 10.199 -2.225 117 HD11 LEU 63 HD11 LEU 63 -13.685 10.990 0.716 118 HD12 LEU 63 HD12 LEU 63 -13.653 12.093 -0.678 119 HD13 LEU 63 HD13 LEU 63 -15.115 11.158 -0.328 120 HD21 LEU 63 HD21 LEU 63 -11.593 9.315 -1.882 121 HD22 LEU 63 HD22 LEU 63 -11.633 11.023 -1.410 122 HD23 LEU 63 HD23 LEU 63 -11.643 9.762 -0.165 123 H HIS 64 H HIS 64 -12.614 5.932 0.182 124 HA HIS 64 HA HIS 64 -14.649 3.843 0.532 125 HB2 HIS 64 HB2 HIS 64 -12.185 4.710 2.056 126 HB3 HIS 64 HB3 HIS 64 -13.215 3.386 2.602 127 HD2 HIS 64 HD2 HIS 64 -10.106 3.919 0.819 128 HE1 HIS 64 HE1 HIS 64 -11.509 0.189 -0.674 129 HE2 HIS 64 HE2 HIS 64 -9.493 1.723 -0.508 130 H ALA 65 H ALA 65 -16.231 3.763 2.128 131 HA ALA 65 HA ALA 65 -16.878 6.366 3.408 132 HB1 ALA 65 HB1 ALA 65 -18.609 3.954 2.756 133 HB2 ALA 65 HB2 ALA 65 -19.171 5.533 3.341 134 HB3 ALA 65 HB3 ALA 65 -18.413 5.405 1.744 135 H GLU 66 H GLU 66 -15.795 3.243 4.452 136 HA GLU 66 HA GLU 66 -16.694 3.757 7.258 137 HB2 GLU 66 HB2 GLU 66 -17.046 1.173 5.683 138 HB3 GLU 66 HB3 GLU 66 -17.290 1.344 7.424 139 HG2 GLU 66 HG2 GLU 66 -19.062 3.059 6.986 140 HG3 GLU 66 HG3 GLU 66 -18.895 2.754 5.253 141 H GLY 67 H GLY 67 -15.603 2.528 8.897 142 HA2 GLY 67 HA2 GLY 67 -13.807 1.531 9.948 143 HA3 GLY 67 HA3 GLY 67 -13.321 0.893 8.382 144 HA PRO 68 HA PRO 68 -10.019 3.865 9.929 145 HB2 PRO 68 HB2 PRO 68 -7.907 2.400 8.842 146 HB3 PRO 68 HB3 PRO 68 -8.569 2.190 10.496 147 HG2 PRO 68 HG2 PRO 68 -9.202 0.614 7.988 148 HG3 PRO 68 HG3 PRO 68 -8.851 -0.009 9.633 149 HD2 PRO 68 HD2 PRO 68 -11.376 0.204 8.753 150 HD3 PRO 68 HD3 PRO 68 -10.984 0.669 10.435 151 H LEU 69 H LEU 69 -10.752 2.469 6.809 152 HA LEU 69 HA LEU 69 -9.194 4.403 5.248 153 HB2 LEU 69 HB2 LEU 69 -10.666 1.852 4.834 154 HB3 LEU 69 HB3 LEU 69 -10.780 2.977 3.495 155 HG LEU 69 HG LEU 69 -8.419 3.018 3.153 156 HD11 LEU 69 HD11 LEU 69 -8.152 1.326 5.675 157 HD12 LEU 69 HD12 LEU 69 -6.849 1.631 4.505 158 HD13 LEU 69 HD13 LEU 69 -7.524 2.973 5.423 159 HD21 LEU 69 HD21 LEU 69 -9.669 1.034 2.281 160 HD22 LEU 69 HD22 LEU 69 -7.975 0.651 2.640 161 HD23 LEU 69 HD23 LEU 69 -9.258 0.142 3.754 162 H ALA 70 H ALA 70 -12.193 4.698 6.817 163 HA ALA 70 HA ALA 70 -13.839 5.885 4.898 164 HB1 ALA 70 HB1 ALA 70 -13.522 6.631 7.835 165 HB2 ALA 70 HB2 ALA 70 -14.909 7.039 6.799 166 HB3 ALA 70 HB3 ALA 70 -14.559 5.343 7.184 167 H GLY 71 H GLY 71 -13.747 7.651 3.680 168 HA2 GLY 71 HA2 GLY 71 -13.405 9.934 3.174 169 HA3 GLY 71 HA3 GLY 71 -12.276 10.080 4.533 170 H LEU 72 H LEU 72 -11.251 7.352 2.927 171 HA LEU 72 HA LEU 72 -9.149 8.952 1.552 172 HB2 LEU 72 HB2 LEU 72 -9.130 6.089 2.526 173 HB3 LEU 72 HB3 LEU 72 -7.756 7.013 1.942 174 HG LEU 72 HG LEU 72 -9.222 7.381 4.563 175 HD11 LEU 72 HD11 LEU 72 -6.305 6.786 3.914 176 HD12 LEU 72 HD12 LEU 72 -7.071 6.802 5.518 177 HD13 LEU 72 HD13 LEU 72 -7.510 5.559 4.332 178 HD21 LEU 72 HD21 LEU 72 -8.696 9.636 3.795 179 HD22 LEU 72 HD22 LEU 72 -7.565 9.169 5.062 180 HD23 LEU 72 HD23 LEU 72 -7.039 9.141 3.364 181 HA PRO 73 HA PRO 73 -10.154 7.573 -2.597 182 HB2 PRO 73 HB2 PRO 73 -7.693 6.922 -3.637 183 HB3 PRO 73 HB3 PRO 73 -8.275 8.594 -3.427 184 HG2 PRO 73 HG2 PRO 73 -6.513 6.966 -1.560 185 HG3 PRO 73 HG3 PRO 73 -6.237 8.630 -2.139 186 HD2 PRO 73 HD2 PRO 73 -7.296 8.203 0.266 187 HD3 PRO 73 HD3 PRO 73 -8.004 9.469 -0.757 188 H VAL 74 H VAL 74 -10.794 5.788 -3.637 189 HA VAL 74 HA VAL 74 -10.250 3.184 -2.400 190 HB VAL 74 HB VAL 74 -11.857 3.785 -4.905 191 HG11 VAL 74 HG11 VAL 74 -11.760 1.341 -3.102 192 HG12 VAL 74 HG12 VAL 74 -12.917 1.610 -4.426 193 HG13 VAL 74 HG13 VAL 74 -11.200 1.427 -4.790 194 HG21 VAL 74 HG21 VAL 74 -12.843 4.921 -2.954 195 HG22 VAL 74 HG22 VAL 74 -13.828 3.535 -3.418 196 HG23 VAL 74 HG23 VAL 74 -12.746 3.412 -2.013 197 H THR 75 H THR 75 -9.229 4.918 -5.325 198 HA THR 75 HA THR 75 -7.169 2.805 -5.835 199 HB THR 75 HB THR 75 -7.593 2.855 -8.127 200 HG1 THR 75 HG1 THR 75 -9.088 4.492 -8.985 201 HG21 THR 75 HG21 THR 75 -10.381 3.339 -6.998 202 HG22 THR 75 HG22 THR 75 -9.962 2.468 -8.490 203 HG23 THR 75 HG23 THR 75 -9.513 1.794 -6.911 204 H ARG 76 H ARG 76 -5.302 3.502 -7.188 205 HA ARG 76 HA ARG 76 -4.181 5.994 -6.249 206 HB2 ARG 76 HB2 ARG 76 -2.318 5.581 -7.727 207 HB3 ARG 76 HB3 ARG 76 -2.743 4.112 -6.854 208 HG2 ARG 76 HG2 ARG 76 -3.770 3.146 -8.851 209 HG3 ARG 76 HG3 ARG 76 -3.584 4.671 -9.742 210 HD2 ARG 76 HD2 ARG 76 -1.158 4.530 -9.568 211 HD3 ARG 76 HD3 ARG 76 -1.275 3.015 -8.647 212 HE ARG 76 HE ARG 76 -2.664 2.429 -10.937 213 HH11 ARG 76 HH11 ARG 76 0.586 3.709 -10.462 214 HH12 ARG 76 HH12 ARG 76 1.159 3.003 -11.954 215 HH21 ARG 76 HH21 ARG 76 -1.848 1.565 -12.816 216 HH22 ARG 76 HH22 ARG 76 -0.179 1.812 -13.240 217 H SER 77 H SER 77 -6.103 5.258 -9.103 218 HA SER 77 HA SER 77 -5.700 7.790 -10.431 219 HB2 SER 77 HB2 SER 77 -8.094 5.919 -10.565 220 HB3 SER 77 HB3 SER 77 -7.690 7.215 -11.706 221 HG SER 77 HG SER 77 -6.961 5.142 -12.441 222 H ASP 78 H ASP 78 -8.154 6.655 -8.004 223 HA ASP 78 HA ASP 78 -9.528 9.169 -7.838 224 HB2 ASP 78 HB2 ASP 78 -9.077 7.194 -5.569 225 HB3 ASP 78 HB3 ASP 78 -10.294 8.471 -5.634 226 H ALA 79 H ALA 79 -6.701 7.910 -5.987 227 HA ALA 79 HA ALA 79 -6.325 10.192 -4.343 228 HB1 ALA 79 HB1 ALA 79 -4.200 8.293 -5.444 229 HB2 ALA 79 HB2 ALA 79 -4.129 9.241 -3.940 230 HB3 ALA 79 HB3 ALA 79 -5.274 7.895 -4.103 231 H ARG 80 H ARG 80 -4.806 9.479 -7.518 232 HA ARG 80 HA ARG 80 -3.312 11.903 -7.828 233 HB2 ARG 80 HB2 ARG 80 -3.009 9.782 -9.060 234 HB3 ARG 80 HB3 ARG 80 -4.554 10.011 -9.885 235 HG2 ARG 80 HG2 ARG 80 -3.698 11.944 -11.083 236 HG3 ARG 80 HG3 ARG 80 -2.213 11.940 -10.106 237 HD2 ARG 80 HD2 ARG 80 -1.522 9.796 -11.032 238 HD3 ARG 80 HD3 ARG 80 -3.061 9.618 -11.870 239 HE ARG 80 HE ARG 80 -2.474 11.261 -13.450 240 HH11 ARG 80 HH11 ARG 80 0.260 10.927 -11.230 241 HH12 ARG 80 HH12 ARG 80 1.394 11.333 -12.484 242 HH21 ARG 80 HH21 ARG 80 -0.963 11.921 -14.903 243 HH22 ARG 80 HH22 ARG 80 0.717 11.975 -14.464 244 H VAL 81 H VAL 81 -6.682 11.178 -8.811 245 HA VAL 81 HA VAL 81 -7.075 13.864 -9.877 246 HB VAL 81 HB VAL 81 -8.993 11.593 -9.307 247 HG11 VAL 81 HG11 VAL 81 -9.559 14.266 -10.677 248 HG12 VAL 81 HG12 VAL 81 -10.640 12.856 -10.692 249 HG13 VAL 81 HG13 VAL 81 -10.304 13.688 -9.172 250 HG21 VAL 81 HG21 VAL 81 -7.379 11.267 -11.186 251 HG22 VAL 81 HG22 VAL 81 -9.039 11.420 -11.761 252 HG23 VAL 81 HG23 VAL 81 -7.925 12.795 -11.905 253 H LEU 82 H LEU 82 -7.779 12.408 -6.626 254 HA LEU 82 HA LEU 82 -9.089 14.753 -5.599 255 HB2 LEU 82 HB2 LEU 82 -7.390 12.589 -4.308 256 HB3 LEU 82 HB3 LEU 82 -8.145 13.860 -3.366 257 HG LEU 82 HG LEU 82 -9.765 12.033 -5.164 258 HD11 LEU 82 HD11 LEU 82 -9.308 11.706 -2.178 259 HD12 LEU 82 HD12 LEU 82 -10.210 10.629 -3.287 260 HD13 LEU 82 HD13 LEU 82 -8.456 10.777 -3.423 261 HD21 LEU 82 HD21 LEU 82 -10.944 14.080 -4.498 262 HD22 LEU 82 HD22 LEU 82 -11.633 12.666 -3.689 263 HD23 LEU 82 HD23 LEU 82 -10.557 13.761 -2.793 264 H ILE 83 H ILE 83 -5.587 13.900 -5.734 265 HA ILE 83 HA ILE 83 -4.666 16.355 -4.554 266 HB ILE 83 HB ILE 83 -3.300 14.476 -6.514 267 HG12 ILE 83 HG12 ILE 83 -2.759 14.775 -3.526 268 HG13 ILE 83 HG13 ILE 83 -3.997 13.677 -4.114 269 HG21 ILE 83 HG21 ILE 83 -2.189 16.832 -4.910 270 HG22 ILE 83 HG22 ILE 83 -1.168 15.606 -5.667 271 HG23 ILE 83 HG23 ILE 83 -2.174 16.646 -6.678 272 HD11 ILE 83 HD11 ILE 83 -1.031 13.491 -4.704 273 HD12 ILE 83 HD12 ILE 83 -2.055 12.365 -3.792 274 HD13 ILE 83 HD13 ILE 83 -2.282 12.524 -5.536 275 H PHE 84 H PHE 84 -5.281 15.519 -8.027 276 HA PHE 84 HA PHE 84 -4.610 18.067 -9.079 277 HB2 PHE 84 HB2 PHE 84 -5.053 16.125 -10.519 278 HB3 PHE 84 HB3 PHE 84 -6.710 16.058 -9.956 279 HD1 PHE 84 HD1 PHE 84 -4.855 19.174 -10.977 280 HD2 PHE 84 HD2 PHE 84 -7.995 16.366 -11.903 281 HE1 PHE 84 HE1 PHE 84 -5.539 20.586 -12.857 282 HE2 PHE 84 HE2 PHE 84 -8.720 17.822 -13.783 283 HZ PHE 84 HZ PHE 84 -7.482 19.930 -14.275 284 H ASN 85 H ASN 85 -7.823 16.946 -7.850 285 HA ASN 85 HA ASN 85 -9.128 19.387 -8.466 286 HB2 ASN 85 HB2 ASN 85 -10.110 17.051 -8.001 287 HB3 ASN 85 HB3 ASN 85 -9.937 17.418 -6.286 288 HD21 ASN 85 HD22 ASN 85 -12.249 17.365 -5.950 289 HD22 ASN 85 HD21 ASN 85 -13.272 18.632 -6.599 290 H GLU 86 H GLU 86 -7.508 18.290 -5.451 291 HA GLU 86 HA GLU 86 -8.104 20.646 -3.917 292 HB2 GLU 86 HB2 GLU 86 -7.223 18.496 -2.964 293 HB3 GLU 86 HB3 GLU 86 -5.636 18.882 -3.670 294 HG2 GLU 86 HG2 GLU 86 -5.672 21.060 -2.415 295 HG3 GLU 86 HG3 GLU 86 -7.206 20.595 -1.682 296 H TRP 87 H TRP 87 -5.139 19.863 -5.959 297 HA TRP 87 HA TRP 87 -3.955 22.391 -5.750 298 HB2 TRP 87 HB2 TRP 87 -2.829 20.521 -6.800 299 HB3 TRP 87 HB3 TRP 87 -4.044 20.446 -8.076 300 HD1 TRP 87 HD1 TRP 87 -1.123 22.589 -6.879 301 HE1 TRP 87 HE1 TRP 87 -0.437 24.271 -8.714 302 HE3 TRP 87 HE3 TRP 87 -4.817 21.630 -10.286 303 HZ2 TRP 87 HZ2 TRP 87 -1.352 25.064 -11.308 304 HZ3 TRP 87 HZ3 TRP 87 -4.923 22.916 -12.413 305 HH2 TRP 87 HH2 TRP 87 -3.202 24.630 -12.930 306 H GLU 88 H GLU 88 -6.565 21.419 -8.081 307 HA GLU 88 HA GLU 88 -6.752 23.862 -9.490 308 HB2 GLU 88 HB2 GLU 88 -8.554 21.544 -8.880 309 HB3 GLU 88 HB3 GLU 88 -9.339 23.007 -9.419 310 HG2 GLU 88 HG2 GLU 88 -7.016 21.833 -10.970 311 HG3 GLU 88 HG3 GLU 88 -8.656 21.220 -11.161 312 H GLU 89 H GLU 89 -8.547 22.905 -6.490 313 HA GLU 89 HA GLU 89 -9.867 25.445 -6.215 314 HB2 GLU 89 HB2 GLU 89 -10.617 23.320 -5.191 315 HB3 GLU 89 HB3 GLU 89 -9.221 23.340 -4.106 316 HG2 GLU 89 HG2 GLU 89 -10.018 25.440 -3.086 317 HG3 GLU 89 HG3 GLU 89 -11.350 25.519 -4.243 318 H ARG 90 H ARG 90 -6.903 24.173 -4.643 319 HA ARG 90 HA ARG 90 -6.228 26.437 -3.025 320 HB2 ARG 90 HB2 ARG 90 -4.454 24.466 -4.518 321 HB3 ARG 90 HB3 ARG 90 -3.865 25.592 -3.297 322 HG2 ARG 90 HG2 ARG 90 -6.028 23.593 -2.602 323 HG3 ARG 90 HG3 ARG 90 -4.340 23.099 -2.767 324 HD2 ARG 90 HD2 ARG 90 -3.734 24.854 -1.049 325 HD3 ARG 90 HD3 ARG 90 -5.473 25.167 -0.842 326 HE ARG 90 HE ARG 90 -4.804 22.339 -0.529 327 HH11 ARG 90 HH11 ARG 90 -4.765 25.327 1.333 328 HH12 ARG 90 HH12 ARG 90 -4.816 24.454 2.841 329 HH21 ARG 90 HH21 ARG 90 -4.851 21.351 1.291 330 HH22 ARG 90 HH22 ARG 90 -4.866 22.204 2.838 331 H LYS 91 H LYS 91 -5.120 25.597 -6.292 332 HA LYS 91 HA LYS 91 -3.701 27.981 -6.909 333 HB2 LYS 91 HB2 LYS 91 -3.435 26.011 -8.229 334 HB3 LYS 91 HB3 LYS 91 -5.121 25.998 -8.701 335 HG2 LYS 91 HG2 LYS 91 -3.436 28.399 -9.439 336 HG3 LYS 91 HG3 LYS 91 -3.155 26.890 -10.286 337 HD2 LYS 91 HD2 LYS 91 -5.845 28.326 -10.187 338 HD3 LYS 91 HD3 LYS 91 -4.694 28.343 -11.529 339 HE2 LYS 91 HE2 LYS 91 -4.870 25.873 -11.730 340 HE3 LYS 91 HE3 LYS 91 -6.024 25.829 -10.402 341 HZ1 LYS 91 HZ1 LYS 91 -6.478 27.116 -13.038 342 HZ2 LYS 91 HZ2 LYS 91 -7.174 25.744 -12.436 343 HZ3 LYS 91 HZ3 LYS 91 -7.533 27.204 -11.785 344 H LYS 92 H LYS 92 -7.221 27.337 -7.465 345 HA LYS 92 HA LYS 92 -7.762 29.939 -8.583 346 HB2 LYS 92 HB2 LYS 92 -9.507 27.896 -7.161 347 HB3 LYS 92 HB3 LYS 92 -10.134 29.453 -7.710 348 HG2 LYS 92 HG2 LYS 92 -9.526 28.976 -10.024 349 HG3 LYS 92 HG3 LYS 92 -8.724 27.480 -9.553 350 HD2 LYS 92 HD2 LYS 92 -10.872 26.939 -10.502 351 HD3 LYS 92 HD3 LYS 92 -10.899 26.547 -8.777 352 HE2 LYS 92 HE2 LYS 92 -12.106 28.683 -8.314 353 HE3 LYS 92 HE3 LYS 92 -12.030 29.105 -10.027 354 HZ1 LYS 92 HZ1 LYS 92 -13.486 26.747 -8.916 355 HZ2 LYS 92 HZ2 LYS 92 -14.180 28.124 -9.447 356 HZ3 LYS 92 HZ3 LYS 92 -13.421 27.145 -10.506 357 H SER 93 H SER 93 -7.630 28.922 -5.140 358 HA SER 93 HA SER 93 -8.318 31.603 -4.199 359 HB2 SER 93 HB2 SER 93 -7.016 29.261 -2.774 360 HB3 SER 93 HB3 SER 93 -7.545 30.768 -2.002 361 HG SER 93 HG SER 93 -9.165 29.129 -1.873 362 H ASP 94 H ASP 94 -5.234 29.941 -4.788 363 HA ASP 94 HA ASP 94 -3.614 32.385 -4.395 364 HB2 ASP 94 HB2 ASP 94 -3.412 29.810 -2.791 365 HB3 ASP 94 HB3 ASP 94 -2.090 30.960 -2.945 366 HA PRO 95 HA PRO 95 -2.738 30.067 -8.124 367 HB2 PRO 95 HB2 PRO 95 -1.312 31.920 -9.578 368 HB3 PRO 95 HB3 PRO 95 -3.063 32.052 -9.234 369 HG2 PRO 95 HG2 PRO 95 -0.769 33.256 -7.625 370 HG3 PRO 95 HG3 PRO 95 -2.184 34.126 -8.338 371 HD2 PRO 95 HD2 PRO 95 -2.220 33.348 -5.779 372 HD3 PRO 95 HD3 PRO 95 -3.678 33.034 -6.775 373 H TRP 96 H TRP 96 -0.104 30.953 -6.075 374 HA TRP 96 HA TRP 96 2.126 30.280 -7.660 375 HB2 TRP 96 HB2 TRP 96 3.365 30.382 -5.641 376 HB3 TRP 96 HB3 TRP 96 2.074 31.558 -5.468 377 HD1 TRP 96 HD1 TRP 96 -0.148 30.524 -4.050 378 HE1 TRP 96 HE1 TRP 96 -0.203 29.046 -1.943 379 HE3 TRP 96 HE3 TRP 96 4.579 28.603 -4.313 380 HZ2 TRP 96 HZ2 TRP 96 1.557 27.193 -0.606 381 HZ3 TRP 96 HZ3 TRP 96 5.355 26.937 -2.633 382 HH2 TRP 96 HH2 TRP 96 3.857 26.228 -0.782 383 H LEU 97 H LEU 97 -0.045 28.038 -6.002 384 HA LEU 97 HA LEU 97 1.822 26.163 -5.204 385 HB2 LEU 97 HB2 LEU 97 -0.554 26.404 -4.436 386 HB3 LEU 97 HB3 LEU 97 -1.087 25.674 -5.953 387 HG LEU 97 HG LEU 97 0.135 23.568 -5.333 388 HD11 LEU 97 HD11 LEU 97 0.542 24.985 -2.662 389 HD12 LEU 97 HD12 LEU 97 0.812 23.255 -2.965 390 HD13 LEU 97 HD13 LEU 97 1.829 24.456 -3.762 391 HD21 LEU 97 HD21 LEU 97 -2.257 23.911 -4.872 392 HD22 LEU 97 HD22 LEU 97 -1.492 22.854 -3.667 393 HD23 LEU 97 HD23 LEU 97 -1.836 24.554 -3.260 394 H ARG 98 H ARG 98 2.599 24.164 -6.016 395 HA ARG 98 HA ARG 98 2.218 23.596 -8.934 396 HB2 ARG 98 HB2 ARG 98 4.445 22.817 -7.013 397 HB3 ARG 98 HB3 ARG 98 4.282 22.191 -8.660 398 HG2 ARG 98 HG2 ARG 98 4.389 24.499 -9.568 399 HG3 ARG 98 HG3 ARG 98 4.603 25.138 -7.931 400 HD2 ARG 98 HD2 ARG 98 6.714 23.860 -7.693 401 HD3 ARG 98 HD3 ARG 98 6.460 23.135 -9.278 402 HE ARG 98 HE ARG 98 7.108 25.084 -10.346 403 HH11 ARG 98 HH11 ARG 98 6.895 25.833 -6.921 404 HH12 ARG 98 HH12 ARG 98 7.692 27.368 -7.122 405 HH21 ARG 98 HH21 ARG 98 8.110 27.042 -10.524 406 HH22 ARG 98 HH22 ARG 98 8.363 28.031 -9.115 407 H LEU 99 H LEU 99 1.863 21.514 -9.673 408 HA LEU 99 HA LEU 99 0.207 19.828 -7.856 409 HB2 LEU 99 HB2 LEU 99 -0.651 21.007 -10.002 410 HB3 LEU 99 HB3 LEU 99 0.306 19.849 -10.886 411 HG LEU 99 HG LEU 99 -2.209 19.342 -9.221 412 HD11 LEU 99 HD11 LEU 99 -1.351 18.758 -12.092 413 HD12 LEU 99 HD12 LEU 99 -2.895 18.287 -11.384 414 HD13 LEU 99 HD13 LEU 99 -2.500 20.009 -11.574 415 HD21 LEU 99 HD21 LEU 99 -0.758 17.590 -8.552 416 HD22 LEU 99 HD22 LEU 99 -2.027 17.017 -9.617 417 HD23 LEU 99 HD23 LEU 99 -0.367 17.223 -10.265 418 H ASP 100 H ASP 100 1.285 18.047 -7.060 419 HA ASP 100 HA ASP 100 3.051 16.451 -8.876 420 HB2 ASP 100 HB2 ASP 100 3.657 17.352 -6.038 421 HB3 ASP 100 HB3 ASP 100 4.498 16.034 -6.851 422 H MET 101 H MET 101 2.268 14.469 -9.093 423 HA MET 101 HA MET 101 1.251 12.895 -6.838 424 HB2 MET 101 HB2 MET 101 -1.002 12.537 -8.187 425 HB3 MET 101 HB3 MET 101 -0.776 13.833 -7.048 426 HG2 MET 101 HG2 MET 101 -1.940 14.689 -8.918 427 HG3 MET 101 HG3 MET 101 -0.353 15.410 -8.823 428 HE1 MET 101 HE1 MET 101 -2.071 15.847 -11.468 429 HE2 MET 101 HE2 MET 101 -2.126 14.471 -12.585 430 HE3 MET 101 HE3 MET 101 -2.953 14.368 -11.010 431 H SER 102 H SER 102 3.417 12.241 -7.989 432 HA SER 102 HA SER 102 2.989 9.999 -9.865 433 HB2 SER 102 HB2 SER 102 5.132 11.270 -9.750 434 HB3 SER 102 HB3 SER 102 5.384 10.647 -8.107 435 HG SER 102 HG SER 102 6.422 9.393 -9.809 436 H ASP 103 H ASP 103 3.556 7.759 -9.130 437 HA ASP 103 HA ASP 103 1.742 6.771 -7.239 438 HB2 ASP 103 HB2 ASP 103 4.354 5.580 -8.253 439 HB3 ASP 103 HB3 ASP 103 3.158 4.686 -7.319 440 H LYS 104 H LYS 104 5.184 7.587 -6.687 441 HA LYS 104 HA LYS 104 5.340 6.725 -3.952 442 HB2 LYS 104 HB2 LYS 104 6.861 8.918 -5.437 443 HB3 LYS 104 HB3 LYS 104 7.269 8.321 -3.823 444 HG2 LYS 104 HG2 LYS 104 7.591 6.035 -4.731 445 HG3 LYS 104 HG3 LYS 104 7.229 6.629 -6.363 446 HD2 LYS 104 HD2 LYS 104 9.162 8.184 -6.233 447 HD3 LYS 104 HD3 LYS 104 9.532 7.583 -4.600 448 HE2 LYS 104 HE2 LYS 104 9.833 5.289 -5.520 449 HE3 LYS 104 HE3 LYS 104 9.473 5.888 -7.143 450 HZ1 LYS 104 HZ1 LYS 104 11.792 6.756 -5.481 451 HZ2 LYS 104 HZ2 LYS 104 11.873 5.753 -6.763 452 HZ3 LYS 104 HZ3 LYS 104 11.458 7.314 -6.983 453 H ALA 105 H ALA 105 4.194 9.838 -5.315 454 HA ALA 105 HA ALA 105 3.817 11.121 -2.731 455 HB1 ALA 105 HB1 ALA 105 2.600 11.730 -5.446 456 HB2 ALA 105 HB2 ALA 105 2.595 12.791 -4.025 457 HB3 ALA 105 HB3 ALA 105 4.127 12.391 -4.824 458 H ILE 106 H ILE 106 1.758 9.171 -4.906 459 HA ILE 106 HA ILE 106 -0.607 9.477 -3.251 460 HB ILE 106 HB ILE 106 0.172 7.597 -5.488 461 HG12 ILE 106 HG12 ILE 106 -1.891 8.592 -6.494 462 HG13 ILE 106 HG13 ILE 106 -2.127 9.559 -5.032 463 HG21 ILE 106 HG21 ILE 106 -2.334 7.285 -3.768 464 HG22 ILE 106 HG22 ILE 106 -2.087 6.552 -5.371 465 HG23 ILE 106 HG23 ILE 106 -1.055 6.076 -4.036 466 HD11 ILE 106 HD11 ILE 106 0.257 9.732 -6.878 467 HD12 ILE 106 HD12 ILE 106 -1.136 10.830 -6.869 468 HD13 ILE 106 HD13 ILE 106 -0.038 10.791 -5.476 469 H PHE 107 H PHE 107 1.855 6.878 -3.350 470 HA PHE 107 HA PHE 107 0.628 5.421 -1.201 471 HB2 PHE 107 HB2 PHE 107 3.568 5.365 -1.906 472 HB3 PHE 107 HB3 PHE 107 2.629 4.151 -1.023 473 HD1 PHE 107 HD2 PHE 107 0.150 4.214 -2.927 474 HD2 PHE 107 HD1 PHE 107 4.396 3.827 -3.578 475 HE1 PHE 107 HE2 PHE 107 -0.290 2.982 -4.997 476 HE2 PHE 107 HE1 PHE 107 3.947 2.549 -5.659 477 HZ PHE 107 HZ PHE 107 1.604 2.129 -6.386 478 H ARG 108 H ARG 108 3.075 8.052 -1.106 479 HA ARG 108 HA ARG 108 3.525 7.931 1.734 480 HB2 ARG 108 HB2 ARG 108 5.002 9.043 0.063 481 HB3 ARG 108 HB3 ARG 108 3.792 10.323 -0.142 482 HG2 ARG 108 HG2 ARG 108 4.049 10.933 2.255 483 HG3 ARG 108 HG3 ARG 108 5.186 9.591 2.478 484 HD2 ARG 108 HD2 ARG 108 6.706 10.632 0.798 485 HD3 ARG 108 HD3 ARG 108 5.609 12.002 0.648 486 HE ARG 108 HE ARG 108 7.430 11.357 2.877 487 HH11 ARG 108 HH11 ARG 108 4.757 13.447 1.956 488 HH12 ARG 108 HH12 ARG 108 5.085 14.569 3.246 489 HH21 ARG 108 HH21 ARG 108 7.782 12.828 4.484 490 HH22 ARG 108 HH22 ARG 108 6.758 14.224 4.635 491 H ARG 109 H ARG 109 1.147 9.804 -0.186 492 HA ARG 109 HA ARG 109 -0.061 11.101 2.143 493 HB2 ARG 109 HB2 ARG 109 -0.948 10.695 -0.740 494 HB3 ARG 109 HB3 ARG 109 -1.913 11.575 0.448 495 HG2 ARG 109 HG2 ARG 109 -0.211 13.256 0.758 496 HG3 ARG 109 HG3 ARG 109 0.960 12.356 -0.218 497 HD2 ARG 109 HD2 ARG 109 -0.399 12.610 -2.210 498 HD3 ARG 109 HD3 ARG 109 -1.688 13.407 -1.307 499 HE ARG 109 HE ARG 109 0.920 14.530 -2.146 500 HH11 ARG 109 HH11 ARG 109 -1.909 15.152 -0.153 501 HH12 ARG 109 HH12 ARG 109 -1.616 16.865 -0.124 502 HH21 ARG 109 HH21 ARG 109 1.233 16.717 -2.050 503 HH22 ARG 109 HH22 ARG 109 0.136 17.722 -1.151 504 H TYR 110 H TYR 110 -0.802 8.178 0.312 505 HA TYR 110 HA TYR 110 -2.963 7.424 2.233 506 HB2 TYR 110 HB2 TYR 110 -2.967 7.067 -0.775 507 HB3 TYR 110 HB3 TYR 110 -4.263 6.704 0.354 508 HD1 TYR 110 HD2 TYR 110 -5.175 8.732 1.780 509 HD2 TYR 110 HD1 TYR 110 -2.927 9.128 -1.874 510 HE1 TYR 110 HE2 TYR 110 -6.156 10.997 1.420 511 HE2 TYR 110 HE1 TYR 110 -3.917 11.388 -2.244 512 HH TYR 110 HH TYR 110 -5.344 13.017 -1.427 513 HA PRO 111 HA PRO 111 0.361 4.279 2.050 514 HB2 PRO 111 HB2 PRO 111 0.122 3.198 4.563 515 HB3 PRO 111 HB3 PRO 111 0.903 4.769 4.220 516 HG2 PRO 111 HG2 PRO 111 -1.960 4.272 5.103 517 HG3 PRO 111 HG3 PRO 111 -0.769 5.416 5.807 518 HD2 PRO 111 HD2 PRO 111 -2.614 6.248 4.021 519 HD3 PRO 111 HD3 PRO 111 -0.940 6.876 3.942 520 H HIS 112 H HIS 112 -3.046 3.674 2.402 521 HA HIS 112 HA HIS 112 -2.853 0.767 2.309 522 HB2 HIS 112 HB2 HIS 112 -5.228 0.802 2.273 523 HB3 HIS 112 HB3 HIS 112 -4.655 1.954 3.469 524 HD2 HIS 112 HD2 HIS 112 -6.987 1.652 0.609 525 HE1 HIS 112 HE1 HIS 112 -6.354 5.843 0.886 526 HE2 HIS 112 HE2 HIS 112 -7.789 4.054 -0.153 527 H LEU 113 H LEU 113 -2.360 3.093 -0.143 528 HA LEU 113 HA LEU 113 -3.537 1.447 -2.275 529 HB2 LEU 113 HB2 LEU 113 -2.069 4.099 -2.251 530 HB3 LEU 113 HB3 LEU 113 -2.335 3.227 -3.749 531 HG LEU 113 HG LEU 113 -4.014 4.960 -3.476 532 HD11 LEU 113 HD11 LEU 113 -5.343 2.246 -3.080 533 HD12 LEU 113 HD12 LEU 113 -6.049 3.698 -3.770 534 HD13 LEU 113 HD13 LEU 113 -4.719 2.862 -4.628 535 HD21 LEU 113 HD21 LEU 113 -4.041 4.933 -0.985 536 HD22 LEU 113 HD22 LEU 113 -5.654 4.942 -1.748 537 HD23 LEU 113 HD23 LEU 113 -5.000 3.447 -1.064 538 H ARG 114 H ARG 114 -0.240 1.854 -0.972 539 HA ARG 114 HA ARG 114 1.126 0.663 -3.162 540 HB2 ARG 114 HB2 ARG 114 2.115 1.989 -1.250 541 HB3 ARG 114 HB3 ARG 114 1.976 0.540 -0.249 542 HG2 ARG 114 HG2 ARG 114 3.453 -0.694 -1.794 543 HG3 ARG 114 HG3 ARG 114 3.494 0.697 -2.898 544 HD2 ARG 114 HD2 ARG 114 4.568 2.061 -1.130 545 HD3 ARG 114 HD3 ARG 114 4.558 0.649 -0.048 546 HE ARG 114 HE ARG 114 5.836 -0.086 -2.481 547 HH11 ARG 114 HH11 ARG 114 6.531 1.960 0.281 548 HH12 ARG 114 HH12 ARG 114 8.254 1.798 0.078 549 HH21 ARG 114 HH21 ARG 114 8.034 -0.251 -2.676 550 HH22 ARG 114 HH22 ARG 114 9.078 0.574 -1.557 Start of MODEL 15 1 H1 MET 1 H1 MET 1 8.954 32.195 -3.096 2 H2 MET 1 H2 MET 1 9.919 32.992 -4.150 3 H3 MET 1 H3 MET 1 10.488 31.694 -3.346 4 HA MET 1 HA MET 1 10.009 31.088 -5.633 5 HB2 MET 1 HB2 MET 1 9.790 29.378 -3.849 6 HB3 MET 1 HB3 MET 1 8.089 29.791 -3.639 7 HG2 MET 1 HG2 MET 1 7.667 29.114 -6.013 8 HG3 MET 1 HG3 MET 1 9.360 28.637 -6.160 9 HE1 MET 1 HE1 MET 1 10.033 27.075 -3.442 10 HE2 MET 1 HE2 MET 1 9.574 25.434 -3.938 11 HE3 MET 1 HE3 MET 1 10.411 26.501 -5.085 12 H ARG 2 H ARG 2 8.938 31.831 -7.412 13 HA ARG 2 HA ARG 2 6.243 33.084 -7.178 14 HB2 ARG 2 HB2 ARG 2 8.283 32.798 -9.416 15 HB3 ARG 2 HB3 ARG 2 6.613 33.218 -9.756 16 HG2 ARG 2 HG2 ARG 2 7.827 35.241 -9.663 17 HG3 ARG 2 HG3 ARG 2 6.748 35.185 -8.271 18 HD2 ARG 2 HD2 ARG 2 8.625 34.600 -6.800 19 HD3 ARG 2 HD3 ARG 2 9.732 34.532 -8.173 20 HE ARG 2 HE ARG 2 8.633 36.915 -6.831 21 HH11 ARG 2 HH11 ARG 2 10.343 35.867 -9.719 22 HH12 ARG 2 HH12 ARG 2 10.945 37.468 -10.042 23 HH21 ARG 2 HH21 ARG 2 9.438 38.915 -7.308 24 HH22 ARG 2 HH22 ARG 2 10.443 39.145 -8.710 25 H GLY 3 H GLY 3 7.631 30.096 -8.438 26 HA2 GLY 3 HA2 GLY 3 6.593 28.059 -8.905 27 HA3 GLY 3 HA3 GLY 3 5.017 28.761 -8.574 28 H SER 4 H SER 4 5.384 27.046 -10.705 29 HA SER 4 HA SER 4 4.621 28.669 -13.013 30 HB2 SER 4 HB2 SER 4 7.200 28.579 -12.969 31 HB3 SER 4 HB3 SER 4 7.037 26.856 -13.351 32 HG SER 4 HG SER 4 7.238 28.260 -15.226 33 H HIS 5 H HIS 5 4.447 27.165 -14.962 34 HA HIS 5 HA HIS 5 3.227 25.651 -16.089 35 HB2 HIS 5 HB2 HIS 5 4.459 23.700 -14.130 36 HB3 HIS 5 HB3 HIS 5 3.781 23.306 -15.707 37 HD2 HIS 5 HD2 HIS 5 5.086 24.740 -17.858 38 HE1 HIS 5 HE1 HIS 5 8.864 24.633 -15.876 39 HE2 HIS 5 HE2 HIS 5 7.696 25.021 -18.105 40 H HIS 6 H HIS 6 1.110 25.723 -16.178 41 HA HIS 6 HA HIS 6 -0.482 24.165 -14.225 42 HB2 HIS 6 HB2 HIS 6 -2.140 25.877 -13.982 43 HB3 HIS 6 HB3 HIS 6 -0.580 26.517 -13.480 44 HD2 HIS 6 HD2 HIS 6 0.652 28.217 -15.394 45 HE1 HIS 6 HE1 HIS 6 -3.056 29.388 -17.150 46 HE2 HIS 6 HE2 HIS 6 -0.576 29.937 -16.969 47 H HIS 7 H HIS 7 -2.371 23.267 -15.015 48 HA HIS 7 HA HIS 7 -3.159 23.475 -17.832 49 HB2 HIS 7 HB2 HIS 7 -2.631 21.119 -18.331 50 HB3 HIS 7 HB3 HIS 7 -1.186 22.039 -17.985 51 HD2 HIS 7 HD2 HIS 7 0.477 20.479 -16.813 52 HE1 HIS 7 HE1 HIS 7 -2.154 18.372 -14.197 53 HE2 HIS 7 HE2 HIS 7 0.274 18.642 -14.932 54 H HIS 8 H HIS 8 -4.714 21.306 -18.152 55 HA HIS 8 HA HIS 8 -6.249 20.771 -15.711 56 HB2 HIS 8 HB2 HIS 8 -8.406 21.262 -16.719 57 HB3 HIS 8 HB3 HIS 8 -7.410 22.706 -16.637 58 HD2 HIS 8 HD2 HIS 8 -9.175 20.403 -19.113 59 HE1 HIS 8 HE1 HIS 8 -7.349 23.455 -21.472 60 HE2 HIS 8 HE2 HIS 8 -8.967 21.488 -21.507 61 H HIS 9 H HIS 9 -7.330 18.879 -15.639 62 HA HIS 9 HA HIS 9 -7.404 17.015 -17.940 63 HB2 HIS 9 HB2 HIS 9 -6.071 16.452 -15.251 64 HB3 HIS 9 HB3 HIS 9 -6.484 15.205 -16.416 65 HD2 HIS 9 HD2 HIS 9 -5.371 16.204 -19.116 66 HE1 HIS 9 HE1 HIS 9 -1.629 16.723 -17.138 67 HE2 HIS 9 HE2 HIS 9 -2.768 16.482 -19.404 68 H HIS 10 H HIS 10 -8.579 14.971 -17.248 69 HA HIS 10 HA HIS 10 -10.374 13.835 -16.501 70 HB2 HIS 10 HB2 HIS 10 -10.249 15.444 -13.945 71 HB3 HIS 10 HB3 HIS 10 -10.805 13.793 -14.169 72 HD2 HIS 10 HD2 HIS 10 -7.805 15.718 -13.153 73 HE1 HIS 10 HE1 HIS 10 -6.224 11.919 -14.280 74 HE2 HIS 10 HE2 HIS 10 -5.697 14.136 -13.135 75 H GLY 11 H GLY 11 -12.659 14.100 -15.236 76 HA2 GLY 11 HA2 GLY 11 -14.161 16.496 -15.746 77 HA3 GLY 11 HA3 GLY 11 -14.375 15.349 -17.069 78 H SER 12 H SER 12 -16.629 15.861 -16.045 79 HA SER 12 HA SER 12 -17.422 14.522 -13.629 80 HB2 SER 12 HB2 SER 12 -19.725 15.008 -14.413 81 HB3 SER 12 HB3 SER 12 -18.656 16.420 -14.410 82 HG SER 12 HG SER 12 -19.902 16.270 -16.351 83 H GLY 58 H GLY 58 -18.850 12.741 -13.379 84 HA2 GLY 58 HA2 GLY 58 -19.691 10.628 -13.781 85 HA3 GLY 58 HA3 GLY 58 -19.262 10.772 -15.483 86 H ALA 59 H ALA 59 -16.365 11.410 -14.290 87 HA ALA 59 HA ALA 59 -15.552 8.655 -13.564 88 HB1 ALA 59 HB1 ALA 59 -14.186 10.490 -15.577 89 HB2 ALA 59 HB2 ALA 59 -13.651 8.860 -15.107 90 HB3 ALA 59 HB3 ALA 59 -15.180 9.071 -15.976 91 H LEU 60 H LEU 60 -15.953 11.248 -11.999 92 HA LEU 60 HA LEU 60 -13.291 12.045 -11.160 93 HB2 LEU 60 HB2 LEU 60 -15.822 13.218 -11.239 94 HB3 LEU 60 HB3 LEU 60 -15.616 12.941 -9.527 95 HG LEU 60 HG LEU 60 -13.293 14.181 -11.003 96 HD11 LEU 60 HD11 LEU 60 -15.860 15.715 -10.420 97 HD12 LEU 60 HD12 LEU 60 -14.314 16.428 -10.934 98 HD13 LEU 60 HD13 LEU 60 -15.191 15.352 -12.028 99 HD21 LEU 60 HD21 LEU 60 -13.250 13.898 -8.496 100 HD22 LEU 60 HD22 LEU 60 -13.155 15.589 -8.990 101 HD23 LEU 60 HD23 LEU 60 -14.686 14.926 -8.384 102 H ALA 61 H ALA 61 -12.779 12.160 -8.766 103 HA ALA 61 HA ALA 61 -12.147 9.590 -7.951 104 HB1 ALA 61 HB1 ALA 61 -12.257 12.163 -6.316 105 HB2 ALA 61 HB2 ALA 61 -11.408 10.684 -5.839 106 HB3 ALA 61 HB3 ALA 61 -10.878 11.574 -7.270 107 H ALA 62 H ALA 62 -12.796 8.126 -6.494 108 HA ALA 62 HA ALA 62 -15.159 8.689 -4.794 109 HB1 ALA 62 HB1 ALA 62 -14.156 6.007 -5.872 110 HB2 ALA 62 HB2 ALA 62 -15.622 6.251 -4.907 111 HB3 ALA 62 HB3 ALA 62 -15.525 6.928 -6.544 112 H LEU 63 H LEU 63 -15.327 7.734 -2.742 113 HA LEU 63 HA LEU 63 -12.723 7.261 -1.361 114 HB2 LEU 63 HB2 LEU 63 -15.163 8.722 -0.284 115 HB3 LEU 63 HB3 LEU 63 -13.664 8.425 0.588 116 HG LEU 63 HG LEU 63 -13.966 10.225 -1.858 117 HD11 LEU 63 HD11 LEU 63 -13.485 10.893 1.076 118 HD12 LEU 63 HD12 LEU 63 -13.584 12.050 -0.270 119 HD13 LEU 63 HD13 LEU 63 -15.016 11.118 0.196 120 HD21 LEU 63 HD21 LEU 63 -11.707 9.292 -1.791 121 HD22 LEU 63 HD22 LEU 63 -11.671 10.984 -1.265 122 HD23 LEU 63 HD23 LEU 63 -11.564 9.683 -0.065 123 H HIS 64 H HIS 64 -12.682 5.809 0.314 124 HA HIS 64 HA HIS 64 -14.759 3.762 0.635 125 HB2 HIS 64 HB2 HIS 64 -12.268 4.539 2.166 126 HB3 HIS 64 HB3 HIS 64 -13.315 3.213 2.674 127 HD2 HIS 64 HD2 HIS 64 -10.220 3.766 0.845 128 HE1 HIS 64 HE1 HIS 64 -11.703 0.102 -0.729 129 HE2 HIS 64 HE2 HIS 64 -9.665 1.601 -0.555 130 H ALA 65 H ALA 65 -16.347 3.675 2.220 131 HA ALA 65 HA ALA 65 -16.930 6.240 3.594 132 HB1 ALA 65 HB1 ALA 65 -18.703 3.865 2.913 133 HB2 ALA 65 HB2 ALA 65 -19.235 5.435 3.551 134 HB3 ALA 65 HB3 ALA 65 -18.509 5.344 1.936 135 H GLU 66 H GLU 66 -15.884 3.064 4.518 136 HA GLU 66 HA GLU 66 -16.685 3.513 7.364 137 HB2 GLU 66 HB2 GLU 66 -17.150 0.986 5.727 138 HB3 GLU 66 HB3 GLU 66 -17.339 1.112 7.478 139 HG2 GLU 66 HG2 GLU 66 -19.080 2.880 7.143 140 HG3 GLU 66 HG3 GLU 66 -18.972 2.623 5.398 141 H GLY 67 H GLY 67 -15.572 2.193 8.924 142 HA2 GLY 67 HA2 GLY 67 -13.770 1.106 9.874 143 HA3 GLY 67 HA3 GLY 67 -13.336 0.538 8.264 144 HA PRO 68 HA PRO 68 -9.966 3.386 9.902 145 HB2 PRO 68 HB2 PRO 68 -7.881 1.930 8.753 146 HB3 PRO 68 HB3 PRO 68 -8.546 1.663 10.398 147 HG2 PRO 68 HG2 PRO 68 -9.211 0.203 7.828 148 HG3 PRO 68 HG3 PRO 68 -8.866 -0.493 9.444 149 HD2 PRO 68 HD2 PRO 68 -11.389 -0.201 8.585 150 HD3 PRO 68 HD3 PRO 68 -10.983 0.187 10.285 151 H LEU 69 H LEU 69 -10.737 2.127 6.732 152 HA LEU 69 HA LEU 69 -9.150 4.097 5.243 153 HB2 LEU 69 HB2 LEU 69 -10.655 1.584 4.736 154 HB3 LEU 69 HB3 LEU 69 -10.770 2.762 3.444 155 HG LEU 69 HG LEU 69 -8.416 2.789 3.076 156 HD11 LEU 69 HD11 LEU 69 -8.141 1.028 5.548 157 HD12 LEU 69 HD12 LEU 69 -6.847 1.341 4.373 158 HD13 LEU 69 HD13 LEU 69 -7.491 2.671 5.329 159 HD21 LEU 69 HD21 LEU 69 -9.677 0.838 2.154 160 HD22 LEU 69 HD22 LEU 69 -7.979 0.444 2.488 161 HD23 LEU 69 HD23 LEU 69 -9.255 -0.100 3.596 162 H ALA 70 H ALA 70 -12.132 4.380 6.835 163 HA ALA 70 HA ALA 70 -13.779 5.653 4.981 164 HB1 ALA 70 HB1 ALA 70 -13.418 6.301 7.932 165 HB2 ALA 70 HB2 ALA 70 -14.809 6.762 6.928 166 HB3 ALA 70 HB3 ALA 70 -14.480 5.051 7.251 167 H GLY 71 H GLY 71 -13.696 7.463 3.829 168 HA2 GLY 71 HA2 GLY 71 -13.328 9.756 3.392 169 HA3 GLY 71 HA3 GLY 71 -12.160 9.836 4.722 170 H LEU 72 H LEU 72 -11.205 7.153 3.025 171 HA LEU 72 HA LEU 72 -9.137 8.768 1.609 172 HB2 LEU 72 HB2 LEU 72 -9.089 5.887 2.521 173 HB3 LEU 72 HB3 LEU 72 -7.731 6.841 1.937 174 HG LEU 72 HG LEU 72 -9.155 7.139 4.593 175 HD11 LEU 72 HD11 LEU 72 -6.260 6.508 3.878 176 HD12 LEU 72 HD12 LEU 72 -6.992 6.509 5.499 177 HD13 LEU 72 HD13 LEU 72 -7.481 5.298 4.301 178 HD21 LEU 72 HD21 LEU 72 -8.605 9.405 3.861 179 HD22 LEU 72 HD22 LEU 72 -7.474 8.893 5.113 180 HD23 LEU 72 HD23 LEU 72 -6.960 8.895 3.411 181 HA PRO 73 HA PRO 73 -10.316 7.498 -2.493 182 HB2 PRO 73 HB2 PRO 73 -7.900 6.832 -3.677 183 HB3 PRO 73 HB3 PRO 73 -8.478 8.501 -3.417 184 HG2 PRO 73 HG2 PRO 73 -6.621 6.851 -1.673 185 HG3 PRO 73 HG3 PRO 73 -6.400 8.530 -2.232 186 HD2 PRO 73 HD2 PRO 73 -7.329 8.022 0.226 187 HD3 PRO 73 HD3 PRO 73 -8.089 9.318 -0.725 188 H VAL 74 H VAL 74 -10.968 5.710 -3.629 189 HA VAL 74 HA VAL 74 -10.523 3.108 -2.363 190 HB VAL 74 HB VAL 74 -12.140 3.779 -4.843 191 HG11 VAL 74 HG11 VAL 74 -12.098 1.308 -3.072 192 HG12 VAL 74 HG12 VAL 74 -13.276 1.640 -4.368 193 HG13 VAL 74 HG13 VAL 74 -11.577 1.392 -4.775 194 HG21 VAL 74 HG21 VAL 74 -13.021 4.914 -2.831 195 HG22 VAL 74 HG22 VAL 74 -14.080 3.592 -3.315 196 HG23 VAL 74 HG23 VAL 74 -12.976 3.373 -1.940 197 H THR 75 H THR 75 -9.514 4.677 -5.386 198 HA THR 75 HA THR 75 -7.273 2.730 -5.605 199 HB THR 75 HB THR 75 -8.888 1.819 -7.068 200 HG1 THR 75 HG1 THR 75 -7.698 1.841 -8.926 201 HG21 THR 75 HG21 THR 75 -9.104 4.634 -8.145 202 HG22 THR 75 HG22 THR 75 -9.645 3.204 -9.075 203 HG23 THR 75 HG23 THR 75 -10.375 3.580 -7.503 204 H ARG 76 H ARG 76 -5.614 3.417 -7.201 205 HA ARG 76 HA ARG 76 -4.498 5.956 -6.463 206 HB2 ARG 76 HB2 ARG 76 -2.745 5.449 -8.100 207 HB3 ARG 76 HB3 ARG 76 -3.113 4.065 -7.076 208 HG2 ARG 76 HG2 ARG 76 -4.512 3.098 -8.933 209 HG3 ARG 76 HG3 ARG 76 -4.019 4.439 -9.973 210 HD2 ARG 76 HD2 ARG 76 -2.075 2.517 -8.623 211 HD3 ARG 76 HD3 ARG 76 -2.731 2.248 -10.229 212 HE ARG 76 HE ARG 76 -0.683 4.228 -9.430 213 HH11 ARG 76 HH11 ARG 76 -2.809 3.304 -12.086 214 HH12 ARG 76 HH12 ARG 76 -1.775 4.068 -13.260 215 HH21 ARG 76 HH21 ARG 76 0.584 5.049 -10.919 216 HH22 ARG 76 HH22 ARG 76 0.127 5.038 -12.614 217 H SER 77 H SER 77 -6.561 5.114 -9.193 218 HA SER 77 HA SER 77 -6.316 7.602 -10.627 219 HB2 SER 77 HB2 SER 77 -7.373 5.544 -11.521 220 HB3 SER 77 HB3 SER 77 -8.734 5.767 -10.402 221 HG SER 77 HG SER 77 -9.109 6.661 -12.531 222 H ASP 78 H ASP 78 -8.463 6.649 -7.875 223 HA ASP 78 HA ASP 78 -9.815 9.205 -7.734 224 HB2 ASP 78 HB2 ASP 78 -9.330 7.309 -5.419 225 HB3 ASP 78 HB3 ASP 78 -10.577 8.539 -5.551 226 H ALA 79 H ALA 79 -6.943 7.814 -6.043 227 HA ALA 79 HA ALA 79 -6.375 10.073 -4.421 228 HB1 ALA 79 HB1 ALA 79 -4.348 8.178 -5.700 229 HB2 ALA 79 HB2 ALA 79 -4.161 9.109 -4.208 230 HB3 ALA 79 HB3 ALA 79 -5.324 7.773 -4.267 231 H ARG 80 H ARG 80 -5.217 9.391 -7.743 232 HA ARG 80 HA ARG 80 -3.713 11.783 -8.158 233 HB2 ARG 80 HB2 ARG 80 -3.559 9.765 -9.539 234 HB3 ARG 80 HB3 ARG 80 -5.220 9.960 -10.095 235 HG2 ARG 80 HG2 ARG 80 -4.620 12.044 -11.267 236 HG3 ARG 80 HG3 ARG 80 -2.959 11.923 -10.665 237 HD2 ARG 80 HD2 ARG 80 -4.292 9.818 -12.410 238 HD3 ARG 80 HD3 ARG 80 -3.311 11.126 -13.049 239 HE ARG 80 HE ARG 80 -2.390 8.737 -11.601 240 HH11 ARG 80 HH11 ARG 80 -1.373 11.874 -12.808 241 HH12 ARG 80 HH12 ARG 80 0.315 11.460 -12.721 242 HH21 ARG 80 HH21 ARG 80 -0.217 8.285 -11.508 243 HH22 ARG 80 HH22 ARG 80 0.942 9.462 -12.047 244 H VAL 81 H VAL 81 -7.185 11.138 -8.913 245 HA VAL 81 HA VAL 81 -7.619 13.863 -9.812 246 HB VAL 81 HB VAL 81 -9.548 11.670 -8.981 247 HG11 VAL 81 HG11 VAL 81 -10.151 14.410 -10.195 248 HG12 VAL 81 HG12 VAL 81 -11.298 13.061 -10.142 249 HG13 VAL 81 HG13 VAL 81 -10.736 13.799 -8.632 250 HG21 VAL 81 HG21 VAL 81 -8.297 11.280 -11.093 251 HG22 VAL 81 HG22 VAL 81 -10.020 11.556 -11.389 252 HG23 VAL 81 HG23 VAL 81 -8.853 12.855 -11.689 253 H LEU 82 H LEU 82 -7.962 12.382 -6.523 254 HA LEU 82 HA LEU 82 -9.108 14.734 -5.326 255 HB2 LEU 82 HB2 LEU 82 -7.377 12.490 -4.228 256 HB3 LEU 82 HB3 LEU 82 -8.063 13.738 -3.201 257 HG LEU 82 HG LEU 82 -9.767 11.915 -4.928 258 HD11 LEU 82 HD11 LEU 82 -9.220 11.659 -1.950 259 HD12 LEU 82 HD12 LEU 82 -10.122 10.541 -3.015 260 HD13 LEU 82 HD13 LEU 82 -8.373 10.717 -3.190 261 HD21 LEU 82 HD21 LEU 82 -10.943 13.964 -4.272 262 HD22 LEU 82 HD22 LEU 82 -11.584 12.572 -3.394 263 HD23 LEU 82 HD23 LEU 82 -10.483 13.699 -2.574 264 H ILE 83 H ILE 83 -5.643 13.788 -5.756 265 HA ILE 83 HA ILE 83 -4.647 16.228 -4.544 266 HB ILE 83 HB ILE 83 -3.335 14.226 -6.405 267 HG12 ILE 83 HG12 ILE 83 -2.904 14.713 -3.422 268 HG13 ILE 83 HG13 ILE 83 -4.047 13.525 -4.035 269 HG21 ILE 83 HG21 ILE 83 -2.122 16.615 -4.922 270 HG22 ILE 83 HG22 ILE 83 -1.164 15.332 -5.669 271 HG23 ILE 83 HG23 ILE 83 -2.151 16.374 -6.682 272 HD11 ILE 83 HD11 ILE 83 -1.038 13.458 -4.453 273 HD12 ILE 83 HD12 ILE 83 -2.024 12.380 -3.454 274 HD13 ILE 83 HD13 ILE 83 -2.208 12.352 -5.219 275 H PHE 84 H PHE 84 -5.446 15.377 -7.961 276 HA PHE 84 HA PHE 84 -4.675 17.878 -9.084 277 HB2 PHE 84 HB2 PHE 84 -5.341 15.920 -10.446 278 HB3 PHE 84 HB3 PHE 84 -7.002 16.081 -9.887 279 HD1 PHE 84 HD1 PHE 84 -4.280 17.977 -11.608 280 HD2 PHE 84 HD2 PHE 84 -8.523 17.568 -11.011 281 HE1 PHE 84 HE1 PHE 84 -4.660 19.862 -13.154 282 HE2 PHE 84 HE2 PHE 84 -8.921 19.423 -12.612 283 HZ PHE 84 HZ PHE 84 -6.999 20.613 -13.643 284 H ASN 85 H ASN 85 -7.878 16.915 -7.732 285 HA ASN 85 HA ASN 85 -9.155 19.418 -8.092 286 HB2 ASN 85 HB2 ASN 85 -10.323 17.297 -7.627 287 HB3 ASN 85 HB3 ASN 85 -9.616 17.229 -6.011 288 HD21 ASN 85 HD22 ASN 85 -10.597 18.461 -4.331 289 HD22 ASN 85 HD21 ASN 85 -12.011 19.455 -4.632 290 H GLU 86 H GLU 86 -7.191 18.226 -5.305 291 HA GLU 86 HA GLU 86 -7.488 20.592 -3.721 292 HB2 GLU 86 HB2 GLU 86 -6.593 18.558 -2.747 293 HB3 GLU 86 HB3 GLU 86 -5.175 18.618 -3.813 294 HG2 GLU 86 HG2 GLU 86 -4.419 20.699 -2.797 295 HG3 GLU 86 HG3 GLU 86 -5.933 20.868 -1.905 296 H TRP 87 H TRP 87 -4.693 19.781 -6.028 297 HA TRP 87 HA TRP 87 -3.495 22.299 -5.815 298 HB2 TRP 87 HB2 TRP 87 -2.366 20.527 -6.971 299 HB3 TRP 87 HB3 TRP 87 -3.693 20.336 -8.122 300 HD1 TRP 87 HD1 TRP 87 -0.927 22.838 -7.209 301 HE1 TRP 87 HE1 TRP 87 -0.534 24.472 -9.150 302 HE3 TRP 87 HE3 TRP 87 -4.624 21.219 -10.358 303 HZ2 TRP 87 HZ2 TRP 87 -1.752 25.068 -11.688 304 HZ3 TRP 87 HZ3 TRP 87 -5.062 22.418 -12.486 305 HH2 TRP 87 HH2 TRP 87 -3.672 24.352 -13.146 306 H GLU 88 H GLU 88 -6.140 21.350 -8.092 307 HA GLU 88 HA GLU 88 -6.158 23.789 -9.497 308 HB2 GLU 88 HB2 GLU 88 -7.036 21.563 -10.177 309 HB3 GLU 88 HB3 GLU 88 -8.418 21.771 -9.119 310 HG2 GLU 88 HG2 GLU 88 -7.666 23.747 -11.314 311 HG3 GLU 88 HG3 GLU 88 -8.563 22.277 -11.666 312 H GLU 89 H GLU 89 -8.183 22.808 -6.665 313 HA GLU 89 HA GLU 89 -9.662 25.273 -6.533 314 HB2 GLU 89 HB2 GLU 89 -10.366 23.144 -5.479 315 HB3 GLU 89 HB3 GLU 89 -9.006 23.248 -4.347 316 HG2 GLU 89 HG2 GLU 89 -9.925 25.344 -3.416 317 HG3 GLU 89 HG3 GLU 89 -11.233 25.313 -4.602 318 H ARG 90 H ARG 90 -6.697 24.164 -4.810 319 HA ARG 90 HA ARG 90 -6.273 26.543 -3.239 320 HB2 ARG 90 HB2 ARG 90 -4.250 24.623 -4.434 321 HB3 ARG 90 HB3 ARG 90 -3.909 25.764 -3.133 322 HG2 ARG 90 HG2 ARG 90 -6.112 23.772 -2.679 323 HG3 ARG 90 HG3 ARG 90 -4.465 23.165 -2.823 324 HD2 ARG 90 HD2 ARG 90 -3.750 24.632 -0.965 325 HD3 ARG 90 HD3 ARG 90 -5.392 25.262 -0.816 326 HE ARG 90 HE ARG 90 -4.445 22.484 -0.200 327 HH11 ARG 90 HH11 ARG 90 -7.067 24.795 0.157 328 HH12 ARG 90 HH12 ARG 90 -8.011 23.689 1.113 329 HH21 ARG 90 HH21 ARG 90 -5.744 21.096 0.841 330 HH22 ARG 90 HH22 ARG 90 -7.231 21.661 1.578 331 H LYS 91 H LYS 91 -5.031 25.592 -6.426 332 HA LYS 91 HA LYS 91 -3.612 28.003 -7.001 333 HB2 LYS 91 HB2 LYS 91 -3.289 25.856 -8.160 334 HB3 LYS 91 HB3 LYS 91 -4.814 26.057 -9.018 335 HG2 LYS 91 HG2 LYS 91 -2.739 28.258 -9.182 336 HG3 LYS 91 HG3 LYS 91 -2.406 26.743 -10.006 337 HD2 LYS 91 HD2 LYS 91 -4.480 26.921 -11.316 338 HD3 LYS 91 HD3 LYS 91 -4.886 28.448 -10.504 339 HE2 LYS 91 HE2 LYS 91 -2.796 29.476 -11.354 340 HE3 LYS 91 HE3 LYS 91 -2.344 27.956 -12.129 341 HZ1 LYS 91 HZ1 LYS 91 -4.748 29.584 -12.840 342 HZ2 LYS 91 HZ2 LYS 91 -3.378 29.484 -13.720 343 HZ3 LYS 91 HZ3 LYS 91 -4.328 28.172 -13.567 344 H LYS 92 H LYS 92 -7.077 27.257 -7.610 345 HA LYS 92 HA LYS 92 -7.663 29.837 -8.801 346 HB2 LYS 92 HB2 LYS 92 -9.210 27.535 -7.742 347 HB3 LYS 92 HB3 LYS 92 -9.973 29.080 -7.424 348 HG2 LYS 92 HG2 LYS 92 -10.786 28.188 -9.501 349 HG3 LYS 92 HG3 LYS 92 -9.897 29.685 -9.793 350 HD2 LYS 92 HD2 LYS 92 -7.918 28.364 -10.544 351 HD3 LYS 92 HD3 LYS 92 -8.803 26.866 -10.258 352 HE2 LYS 92 HE2 LYS 92 -9.672 29.065 -12.202 353 HE3 LYS 92 HE3 LYS 92 -8.717 27.652 -12.660 354 HZ1 LYS 92 HZ1 LYS 92 -11.485 27.551 -11.573 355 HZ2 LYS 92 HZ2 LYS 92 -11.028 27.203 -13.100 356 HZ3 LYS 92 HZ3 LYS 92 -10.548 26.232 -11.866 357 H SER 93 H SER 93 -7.612 28.848 -5.343 358 HA SER 93 HA SER 93 -8.342 31.497 -4.422 359 HB2 SER 93 HB2 SER 93 -6.966 29.211 -2.973 360 HB3 SER 93 HB3 SER 93 -7.591 30.687 -2.210 361 HG SER 93 HG SER 93 -9.131 28.976 -2.122 362 H ASP 94 H ASP 94 -5.183 29.984 -4.989 363 HA ASP 94 HA ASP 94 -3.697 32.500 -4.517 364 HB2 ASP 94 HB2 ASP 94 -3.304 29.867 -3.051 365 HB3 ASP 94 HB3 ASP 94 -2.077 31.125 -3.151 366 HA PRO 95 HA PRO 95 -2.782 30.476 -8.386 367 HB2 PRO 95 HB2 PRO 95 -1.445 32.476 -9.727 368 HB3 PRO 95 HB3 PRO 95 -3.196 32.510 -9.355 369 HG2 PRO 95 HG2 PRO 95 -0.935 33.714 -7.702 370 HG3 PRO 95 HG3 PRO 95 -2.406 34.552 -8.330 371 HD2 PRO 95 HD2 PRO 95 -2.358 33.606 -5.832 372 HD3 PRO 95 HD3 PRO 95 -3.817 33.281 -6.825 373 H TRP 96 H TRP 96 -0.155 31.242 -6.295 374 HA TRP 96 HA TRP 96 2.058 30.669 -7.997 375 HB2 TRP 96 HB2 TRP 96 3.355 30.709 -6.014 376 HB3 TRP 96 HB3 TRP 96 2.089 31.897 -5.783 377 HD1 TRP 96 HD1 TRP 96 -0.031 30.994 -4.199 378 HE1 TRP 96 HE1 TRP 96 -0.032 29.445 -2.144 379 HE3 TRP 96 HE3 TRP 96 4.511 28.762 -4.895 380 HZ2 TRP 96 HZ2 TRP 96 1.699 27.436 -0.995 381 HZ3 TRP 96 HZ3 TRP 96 5.305 27.001 -3.319 382 HH2 TRP 96 HH2 TRP 96 3.912 26.335 -1.375 383 H LEU 97 H LEU 97 -0.116 28.395 -6.388 384 HA LEU 97 HA LEU 97 1.758 26.615 -5.507 385 HB2 LEU 97 HB2 LEU 97 -0.638 26.742 -4.832 386 HB3 LEU 97 HB3 LEU 97 -1.083 25.958 -6.355 387 HG LEU 97 HG LEU 97 0.237 23.937 -5.671 388 HD11 LEU 97 HD11 LEU 97 0.493 25.408 -3.010 389 HD12 LEU 97 HD12 LEU 97 0.851 23.689 -3.276 390 HD13 LEU 97 HD13 LEU 97 1.835 24.920 -4.066 391 HD21 LEU 97 HD21 LEU 97 -2.186 24.177 -5.288 392 HD22 LEU 97 HD22 LEU 97 -1.411 23.161 -4.051 393 HD23 LEU 97 HD23 LEU 97 -1.842 24.848 -3.672 394 H ARG 98 H ARG 98 2.952 24.974 -6.287 395 HA ARG 98 HA ARG 98 2.777 24.067 -9.091 396 HB2 ARG 98 HB2 ARG 98 4.946 24.580 -7.908 397 HB3 ARG 98 HB3 ARG 98 4.613 23.261 -6.801 398 HG2 ARG 98 HG2 ARG 98 6.169 22.423 -8.299 399 HG3 ARG 98 HG3 ARG 98 4.663 21.678 -8.811 400 HD2 ARG 98 HD2 ARG 98 5.779 24.217 -10.097 401 HD3 ARG 98 HD3 ARG 98 6.330 22.629 -10.592 402 HE ARG 98 HE ARG 98 3.912 23.927 -11.401 403 HH11 ARG 98 HH11 ARG 98 5.307 20.737 -10.950 404 HH12 ARG 98 HH12 ARG 98 4.144 19.976 -11.984 405 HH21 ARG 98 HH21 ARG 98 2.427 22.892 -12.681 406 HH22 ARG 98 HH22 ARG 98 2.592 21.183 -13.006 407 H LEU 99 H LEU 99 1.819 22.178 -9.737 408 HA LEU 99 HA LEU 99 0.441 20.421 -7.821 409 HB2 LEU 99 HB2 LEU 99 -0.463 21.143 -10.065 410 HB3 LEU 99 HB3 LEU 99 0.796 20.221 -10.833 411 HG LEU 99 HG LEU 99 -1.549 19.035 -9.194 412 HD11 LEU 99 HD11 LEU 99 -0.806 19.109 -12.158 413 HD12 LEU 99 HD12 LEU 99 -2.139 18.182 -11.455 414 HD13 LEU 99 HD13 LEU 99 -2.164 19.953 -11.388 415 HD21 LEU 99 HD21 LEU 99 0.309 17.510 -8.949 416 HD22 LEU 99 HD22 LEU 99 -0.684 16.893 -10.260 417 HD23 LEU 99 HD23 LEU 99 0.816 17.738 -10.644 418 H ASP 100 H ASP 100 1.601 18.850 -6.739 419 HA ASP 100 HA ASP 100 3.682 17.330 -8.279 420 HB2 ASP 100 HB2 ASP 100 3.704 17.924 -5.303 421 HB3 ASP 100 HB3 ASP 100 4.796 16.846 -6.150 422 H MET 101 H MET 101 2.895 15.420 -8.826 423 HA MET 101 HA MET 101 2.352 13.612 -6.686 424 HB2 MET 101 HB2 MET 101 0.277 12.606 -7.956 425 HB3 MET 101 HB3 MET 101 0.114 13.791 -6.684 426 HG2 MET 101 HG2 MET 101 -0.433 15.524 -8.175 427 HG3 MET 101 HG3 MET 101 0.167 14.657 -9.592 428 HE1 MET 101 HE1 MET 101 -1.922 15.001 -11.027 429 HE2 MET 101 HE2 MET 101 -3.576 14.575 -10.551 430 HE3 MET 101 HE3 MET 101 -2.770 15.961 -9.780 431 H SER 102 H SER 102 2.855 11.639 -7.064 432 HA SER 102 HA SER 102 2.887 10.295 -9.623 433 HB2 SER 102 HB2 SER 102 5.169 11.335 -9.562 434 HB3 SER 102 HB3 SER 102 5.480 10.521 -8.018 435 HG SER 102 HG SER 102 6.269 9.374 -9.921 436 H ASP 103 H ASP 103 3.506 7.850 -9.023 437 HA ASP 103 HA ASP 103 1.637 6.980 -7.089 438 HB2 ASP 103 HB2 ASP 103 4.004 5.591 -8.379 439 HB3 ASP 103 HB3 ASP 103 2.905 4.764 -7.273 440 H LYS 104 H LYS 104 5.110 7.618 -6.614 441 HA LYS 104 HA LYS 104 5.305 6.690 -3.898 442 HB2 LYS 104 HB2 LYS 104 6.795 8.926 -5.350 443 HB3 LYS 104 HB3 LYS 104 7.216 8.313 -3.745 444 HG2 LYS 104 HG2 LYS 104 7.555 6.041 -4.688 445 HG3 LYS 104 HG3 LYS 104 7.192 6.663 -6.309 446 HD2 LYS 104 HD2 LYS 104 9.131 8.219 -6.152 447 HD3 LYS 104 HD3 LYS 104 9.448 7.652 -4.511 448 HE2 LYS 104 HE2 LYS 104 11.016 6.551 -5.901 449 HE3 LYS 104 HE3 LYS 104 9.839 5.340 -5.397 450 HZ1 LYS 104 HZ1 LYS 104 9.846 6.715 -8.048 451 HZ2 LYS 104 HZ2 LYS 104 10.366 5.194 -7.782 452 HZ3 LYS 104 HZ3 LYS 104 8.785 5.546 -7.602 453 H ALA 105 H ALA 105 4.212 9.859 -5.160 454 HA ALA 105 HA ALA 105 3.777 11.052 -2.547 455 HB1 ALA 105 HB1 ALA 105 2.516 11.801 -5.199 456 HB2 ALA 105 HB2 ALA 105 2.656 12.813 -3.754 457 HB3 ALA 105 HB3 ALA 105 4.116 12.367 -4.645 458 H ILE 106 H ILE 106 1.731 9.188 -4.792 459 HA ILE 106 HA ILE 106 -0.676 9.503 -3.201 460 HB ILE 106 HB ILE 106 0.135 7.690 -5.479 461 HG12 ILE 106 HG12 ILE 106 -1.909 8.746 -6.498 462 HG13 ILE 106 HG13 ILE 106 -2.123 9.700 -5.028 463 HG21 ILE 106 HG21 ILE 106 -2.419 7.340 -3.846 464 HG22 ILE 106 HG22 ILE 106 -2.143 6.673 -5.474 465 HG23 ILE 106 HG23 ILE 106 -1.146 6.131 -4.135 466 HD11 ILE 106 HD11 ILE 106 0.266 9.809 -6.883 467 HD12 ILE 106 HD12 ILE 106 -1.065 10.982 -6.826 468 HD13 ILE 106 HD13 ILE 106 0.046 10.835 -5.446 469 H PHE 107 H PHE 107 1.765 6.895 -3.302 470 HA PHE 107 HA PHE 107 0.519 5.383 -1.196 471 HB2 PHE 107 HB2 PHE 107 3.468 5.403 -1.875 472 HB3 PHE 107 HB3 PHE 107 2.564 4.164 -0.993 473 HD1 PHE 107 HD2 PHE 107 0.096 4.300 -3.026 474 HD2 PHE 107 HD1 PHE 107 4.352 3.735 -3.430 475 HE1 PHE 107 HE2 PHE 107 -0.278 3.051 -5.095 476 HE2 PHE 107 HE1 PHE 107 3.970 2.445 -5.516 477 HZ PHE 107 HZ PHE 107 1.655 2.102 -6.365 478 H ARG 108 H ARG 108 2.960 8.015 -1.056 479 HA ARG 108 HA ARG 108 3.441 7.907 1.763 480 HB2 ARG 108 HB2 ARG 108 4.872 9.081 0.132 481 HB3 ARG 108 HB3 ARG 108 3.595 10.276 -0.154 482 HG2 ARG 108 HG2 ARG 108 3.752 11.015 2.205 483 HG3 ARG 108 HG3 ARG 108 4.983 9.772 2.517 484 HD2 ARG 108 HD2 ARG 108 6.481 10.835 0.865 485 HD3 ARG 108 HD3 ARG 108 5.239 12.062 0.522 486 HE ARG 108 HE ARG 108 5.772 12.044 3.328 487 HH11 ARG 108 HH11 ARG 108 7.407 13.035 0.388 488 HH12 ARG 108 HH12 ARG 108 8.338 14.258 1.209 489 HH21 ARG 108 HH21 ARG 108 6.987 13.621 4.311 490 HH22 ARG 108 HH22 ARG 108 8.101 14.575 3.378 491 H ARG 109 H ARG 109 0.990 9.801 -0.080 492 HA ARG 109 HA ARG 109 -0.159 10.954 2.344 493 HB2 ARG 109 HB2 ARG 109 -0.230 12.034 0.092 494 HB3 ARG 109 HB3 ARG 109 -1.333 10.763 -0.464 495 HG2 ARG 109 HG2 ARG 109 -2.964 11.416 1.289 496 HG3 ARG 109 HG3 ARG 109 -1.870 12.674 1.870 497 HD2 ARG 109 HD2 ARG 109 -2.924 12.595 -0.982 498 HD3 ARG 109 HD3 ARG 109 -3.823 13.320 0.361 499 HE ARG 109 HE ARG 109 -1.064 14.309 -0.019 500 HH11 ARG 109 HH11 ARG 109 -4.503 14.953 -0.619 501 HH12 ARG 109 HH12 ARG 109 -4.125 16.646 -0.984 502 HH21 ARG 109 HH21 ARG 109 -0.848 16.556 -0.503 503 HH22 ARG 109 HH22 ARG 109 -2.329 17.432 -0.915 504 H TYR 110 H TYR 110 -1.019 8.196 0.285 505 HA TYR 110 HA TYR 110 -3.147 7.360 2.210 506 HB2 TYR 110 HB2 TYR 110 -3.100 6.946 -0.785 507 HB3 TYR 110 HB3 TYR 110 -4.410 6.618 0.339 508 HD1 TYR 110 HD2 TYR 110 -5.246 8.772 1.731 509 HD2 TYR 110 HD1 TYR 110 -3.175 8.883 -2.043 510 HE1 TYR 110 HE2 TYR 110 -6.341 10.950 1.193 511 HE2 TYR 110 HE1 TYR 110 -4.286 11.045 -2.597 512 HH TYR 110 HH TYR 110 -5.805 12.648 -1.922 513 HA PRO 111 HA PRO 111 0.234 4.290 2.159 514 HB2 PRO 111 HB2 PRO 111 -0.127 3.142 4.629 515 HB3 PRO 111 HB3 PRO 111 0.625 4.743 4.368 516 HG2 PRO 111 HG2 PRO 111 -2.271 4.144 5.060 517 HG3 PRO 111 HG3 PRO 111 -1.160 5.307 5.860 518 HD2 PRO 111 HD2 PRO 111 -2.915 6.128 3.982 519 HD3 PRO 111 HD3 PRO 111 -1.255 6.801 4.017 520 H HIS 112 H HIS 112 -3.168 3.552 2.325 521 HA HIS 112 HA HIS 112 -2.847 0.654 2.177 522 HB2 HIS 112 HB2 HIS 112 -5.224 0.597 2.082 523 HB3 HIS 112 HB3 HIS 112 -4.725 1.742 3.319 524 HD2 HIS 112 HD2 HIS 112 -7.002 1.422 0.423 525 HE1 HIS 112 HE1 HIS 112 -6.484 5.623 0.761 526 HE2 HIS 112 HE2 HIS 112 -7.875 3.814 -0.301 527 H LEU 113 H LEU 113 -2.404 3.061 -0.207 528 HA LEU 113 HA LEU 113 -3.494 1.452 -2.404 529 HB2 LEU 113 HB2 LEU 113 -2.076 4.123 -2.257 530 HB3 LEU 113 HB3 LEU 113 -2.262 3.296 -3.792 531 HG LEU 113 HG LEU 113 -3.984 4.989 -3.514 532 HD11 LEU 113 HD11 LEU 113 -5.252 2.229 -3.346 533 HD12 LEU 113 HD12 LEU 113 -5.966 3.712 -3.970 534 HD13 LEU 113 HD13 LEU 113 -4.578 2.970 -4.820 535 HD21 LEU 113 HD21 LEU 113 -4.148 4.822 -1.021 536 HD22 LEU 113 HD22 LEU 113 -5.715 4.838 -1.870 537 HD23 LEU 113 HD23 LEU 113 -5.059 3.319 -1.240 538 H ARG 114 H ARG 114 -0.259 1.834 -0.987 539 HA ARG 114 HA ARG 114 1.239 0.753 -3.143 540 HB2 ARG 114 HB2 ARG 114 2.143 1.953 -1.133 541 HB3 ARG 114 HB3 ARG 114 1.859 0.493 -0.178 542 HG2 ARG 114 HG2 ARG 114 3.401 -0.776 -1.642 543 HG3 ARG 114 HG3 ARG 114 3.623 0.655 -2.671 544 HD2 ARG 114 HD2 ARG 114 4.606 1.876 -0.758 545 HD3 ARG 114 HD3 ARG 114 4.372 0.447 0.273 546 HE ARG 114 HE ARG 114 5.869 -0.284 -2.055 547 HH11 ARG 114 HH11 ARG 114 6.363 1.482 0.933 548 HH12 ARG 114 HH12 ARG 114 8.073 1.142 0.955 549 HH21 ARG 114 HH21 ARG 114 8.045 -0.680 -1.963 550 HH22 ARG 114 HH22 ARG 114 8.995 -0.051 -0.649 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -27.093 38.777 -2.714 2 H2 MET 1 H2 MET 1 -27.166 38.603 -1.094 3 H3 MET 1 H3 MET 1 -27.242 37.285 -2.051 4 HA MET 1 HA MET 1 -25.055 37.434 -1.037 5 HB2 MET 1 HB2 MET 1 -25.033 38.009 -4.042 6 HB3 MET 1 HB3 MET 1 -23.621 37.511 -3.114 7 HG2 MET 1 HG2 MET 1 -24.863 35.437 -2.419 8 HG3 MET 1 HG3 MET 1 -26.128 35.863 -3.574 9 HE1 MET 1 HE1 MET 1 -24.534 36.974 -6.143 10 HE2 MET 1 HE2 MET 1 -24.352 35.451 -7.036 11 HE3 MET 1 HE3 MET 1 -25.872 35.799 -6.187 12 H ARG 2 H ARG 2 -22.949 38.574 -0.963 13 HA ARG 2 HA ARG 2 -23.308 41.445 -0.469 14 HB2 ARG 2 HB2 ARG 2 -21.071 41.437 0.395 15 HB3 ARG 2 HB3 ARG 2 -21.991 40.125 1.105 16 HG2 ARG 2 HG2 ARG 2 -20.369 39.415 -1.314 17 HG3 ARG 2 HG3 ARG 2 -19.449 39.923 0.099 18 HD2 ARG 2 HD2 ARG 2 -20.394 38.172 1.458 19 HD3 ARG 2 HD3 ARG 2 -21.518 37.695 0.169 20 HE ARG 2 HE ARG 2 -18.921 37.571 -0.929 21 HH11 ARG 2 HH11 ARG 2 -20.633 35.815 1.583 22 HH12 ARG 2 HH12 ARG 2 -19.701 34.368 1.313 23 HH21 ARG 2 HH21 ARG 2 -17.803 35.750 -1.227 24 HH22 ARG 2 HH22 ARG 2 -18.112 34.332 -0.251 25 H GLY 3 H GLY 3 -21.990 43.129 -1.316 26 HA2 GLY 3 HA2 GLY 3 -21.114 44.405 -3.043 27 HA3 GLY 3 HA3 GLY 3 -20.537 42.931 -3.813 28 H SER 4 H SER 4 -21.174 44.326 -5.713 29 HA SER 4 HA SER 4 -24.083 44.172 -6.408 30 HB2 SER 4 HB2 SER 4 -21.848 45.655 -7.823 31 HB3 SER 4 HB3 SER 4 -23.576 45.707 -8.212 32 HG SER 4 HG SER 4 -22.942 47.495 -6.902 33 H HIS 5 H HIS 5 -20.872 43.247 -7.717 34 HA HIS 5 HA HIS 5 -22.075 40.919 -9.087 35 HB2 HIS 5 HB2 HIS 5 -22.145 42.983 -10.620 36 HB3 HIS 5 HB3 HIS 5 -20.387 42.932 -10.630 37 HD2 HIS 5 HD2 HIS 5 -23.192 40.227 -11.194 38 HE1 HIS 5 HE1 HIS 5 -20.488 39.981 -14.486 39 HE2 HIS 5 HE2 HIS 5 -22.602 39.004 -13.456 40 H HIS 6 H HIS 6 -20.237 41.384 -6.812 41 HA HIS 6 HA HIS 6 -17.527 40.983 -7.885 42 HB2 HIS 6 HB2 HIS 6 -18.525 41.802 -5.136 43 HB3 HIS 6 HB3 HIS 6 -16.846 41.820 -5.672 44 HD2 HIS 6 HD2 HIS 6 -16.075 43.745 -7.366 45 HE1 HIS 6 HE1 HIS 6 -19.638 46.077 -7.200 46 HE2 HIS 6 HE2 HIS 6 -17.217 46.041 -7.974 47 H HIS 7 H HIS 7 -19.771 38.827 -6.587 48 HA HIS 7 HA HIS 7 -17.618 36.944 -5.706 49 HB2 HIS 7 HB2 HIS 7 -20.224 37.555 -4.269 50 HB3 HIS 7 HB3 HIS 7 -19.241 36.126 -3.958 51 HD2 HIS 7 HD2 HIS 7 -19.022 39.992 -3.648 52 HE1 HIS 7 HE1 HIS 7 -15.983 38.351 -1.146 53 HE2 HIS 7 HE2 HIS 7 -17.127 40.501 -1.885 54 H HIS 8 H HIS 8 -17.825 34.859 -6.239 55 HA HIS 8 HA HIS 8 -20.202 33.724 -7.541 56 HB2 HIS 8 HB2 HIS 8 -19.066 33.286 -9.659 57 HB3 HIS 8 HB3 HIS 8 -19.124 35.013 -9.363 58 HD2 HIS 8 HD2 HIS 8 -16.683 32.130 -9.849 59 HE1 HIS 8 HE1 HIS 8 -14.262 35.588 -9.239 60 HE2 HIS 8 HE2 HIS 8 -14.247 33.135 -9.918 61 H HIS 9 H HIS 9 -19.776 31.436 -8.249 62 HA HIS 9 HA HIS 9 -17.441 30.068 -7.095 63 HB2 HIS 9 HB2 HIS 9 -18.765 28.423 -5.874 64 HB3 HIS 9 HB3 HIS 9 -19.005 30.034 -5.221 65 HD2 HIS 9 HD2 HIS 9 -21.438 31.185 -5.571 66 HE1 HIS 9 HE1 HIS 9 -23.463 27.671 -6.896 67 HE2 HIS 9 HE2 HIS 9 -23.770 30.064 -6.081 68 H HIS 10 H HIS 10 -17.080 27.961 -7.936 69 HA HIS 10 HA HIS 10 -18.707 26.876 -10.101 70 HB2 HIS 10 HB2 HIS 10 -17.293 28.909 -11.013 71 HB3 HIS 10 HB3 HIS 10 -15.921 27.821 -10.867 72 HD2 HIS 10 HD2 HIS 10 -19.353 28.150 -12.671 73 HE1 HIS 10 HE1 HIS 10 -16.995 25.459 -15.000 74 HE2 HIS 10 HE2 HIS 10 -19.200 26.731 -14.890 75 H GLY 11 H GLY 11 -17.231 25.114 -11.294 76 HA2 GLY 11 HA2 GLY 11 -15.692 23.416 -11.300 77 HA3 GLY 11 HA3 GLY 11 -15.105 23.903 -9.721 78 H SER 12 H SER 12 -15.240 21.291 -10.445 79 HA SER 12 HA SER 12 -16.935 20.119 -8.360 80 HB2 SER 12 HB2 SER 12 -18.429 20.088 -10.333 81 HB3 SER 12 HB3 SER 12 -17.194 19.217 -11.259 82 HG SER 12 HG SER 12 -18.844 17.858 -10.267 83 H GLY 58 H GLY 58 -16.224 18.080 -7.684 84 HA2 GLY 58 HA2 GLY 58 -13.605 17.062 -8.761 85 HA3 GLY 58 HA3 GLY 58 -13.978 17.162 -7.039 86 H ALA 59 H ALA 59 -16.646 16.179 -9.017 87 HA ALA 59 HA ALA 59 -16.990 13.884 -7.408 88 HB1 ALA 59 HB1 ALA 59 -18.452 14.742 -9.939 89 HB2 ALA 59 HB2 ALA 59 -19.065 13.626 -8.699 90 HB3 ALA 59 HB3 ALA 59 -18.784 15.328 -8.292 91 H LEU 60 H LEU 60 -14.965 13.941 -10.145 92 HA LEU 60 HA LEU 60 -15.550 11.393 -11.312 93 HB2 LEU 60 HB2 LEU 60 -14.466 13.179 -12.520 94 HB3 LEU 60 HB3 LEU 60 -13.202 13.327 -11.300 95 HG LEU 60 HG LEU 60 -12.338 11.131 -11.883 96 HD11 LEU 60 HD11 LEU 60 -14.363 11.202 -14.176 97 HD12 LEU 60 HD12 LEU 60 -13.039 10.026 -14.013 98 HD13 LEU 60 HD13 LEU 60 -14.356 10.035 -12.839 99 HD21 LEU 60 HD21 LEU 60 -11.421 13.155 -12.944 100 HD22 LEU 60 HD22 LEU 60 -11.340 11.772 -14.045 101 HD23 LEU 60 HD23 LEU 60 -12.601 13.008 -14.265 102 H ALA 61 H ALA 61 -13.611 12.354 -8.488 103 HA ALA 61 HA ALA 61 -12.319 9.697 -8.294 104 HB1 ALA 61 HB1 ALA 61 -12.147 12.149 -6.501 105 HB2 ALA 61 HB2 ALA 61 -11.180 10.664 -6.361 106 HB3 ALA 61 HB3 ALA 61 -11.000 11.703 -7.782 107 H ALA 62 H ALA 62 -12.677 8.191 -6.712 108 HA ALA 62 HA ALA 62 -15.050 8.553 -4.984 109 HB1 ALA 62 HB1 ALA 62 -13.777 5.977 -5.990 110 HB2 ALA 62 HB2 ALA 62 -15.266 6.102 -5.038 111 HB3 ALA 62 HB3 ALA 62 -15.218 6.757 -6.686 112 H LEU 63 H LEU 63 -15.185 7.653 -2.924 113 HA LEU 63 HA LEU 63 -12.609 7.460 -1.430 114 HB2 LEU 63 HB2 LEU 63 -15.126 8.994 -0.662 115 HB3 LEU 63 HB3 LEU 63 -13.750 8.737 0.400 116 HG LEU 63 HG LEU 63 -13.654 10.325 -2.205 117 HD11 LEU 63 HD11 LEU 63 -13.658 11.248 0.702 118 HD12 LEU 63 HD12 LEU 63 -13.489 12.284 -0.734 119 HD13 LEU 63 HD13 LEU 63 -15.006 11.417 -0.444 120 HD21 LEU 63 HD21 LEU 63 -11.458 9.392 -1.678 121 HD22 LEU 63 HD22 LEU 63 -11.468 11.117 -1.273 122 HD23 LEU 63 HD23 LEU 63 -11.606 9.908 0.014 123 H HIS 64 H HIS 64 -12.582 6.169 0.372 124 HA HIS 64 HA HIS 64 -14.650 4.130 0.822 125 HB2 HIS 64 HB2 HIS 64 -12.190 5.038 2.331 126 HB3 HIS 64 HB3 HIS 64 -13.250 3.760 2.927 127 HD2 HIS 64 HD2 HIS 64 -10.210 4.256 0.879 128 HE1 HIS 64 HE1 HIS 64 -11.595 0.365 -0.176 129 HE2 HIS 64 HE2 HIS 64 -9.621 1.963 -0.288 130 H ALA 65 H ALA 65 -16.451 4.368 2.066 131 HA ALA 65 HA ALA 65 -16.937 6.988 3.318 132 HB1 ALA 65 HB1 ALA 65 -18.783 4.635 2.760 133 HB2 ALA 65 HB2 ALA 65 -19.273 6.267 3.254 134 HB3 ALA 65 HB3 ALA 65 -18.499 6.020 1.678 135 H GLU 66 H GLU 66 -16.083 3.842 4.488 136 HA GLU 66 HA GLU 66 -16.619 4.599 7.290 137 HB2 GLU 66 HB2 GLU 66 -17.912 2.611 7.770 138 HB3 GLU 66 HB3 GLU 66 -18.722 3.591 6.555 139 HG2 GLU 66 HG2 GLU 66 -17.882 2.071 4.769 140 HG3 GLU 66 HG3 GLU 66 -17.079 1.087 5.995 141 H GLY 67 H GLY 67 -15.809 2.929 8.853 142 HA2 GLY 67 HA2 GLY 67 -14.220 1.450 9.658 143 HA3 GLY 67 HA3 GLY 67 -13.909 0.946 8.000 144 HA PRO 68 HA PRO 68 -10.139 2.969 9.960 145 HB2 PRO 68 HB2 PRO 68 -8.327 1.427 8.432 146 HB3 PRO 68 HB3 PRO 68 -8.911 1.061 10.089 147 HG2 PRO 68 HG2 PRO 68 -9.911 0.017 7.436 148 HG3 PRO 68 HG3 PRO 68 -9.662 -0.884 8.966 149 HD2 PRO 68 HD2 PRO 68 -12.110 -0.108 8.220 150 HD3 PRO 68 HD3 PRO 68 -11.621 0.057 9.934 151 H LEU 69 H LEU 69 -10.930 2.407 6.581 152 HA LEU 69 HA LEU 69 -8.995 4.427 5.605 153 HB2 LEU 69 HB2 LEU 69 -10.823 2.484 4.180 154 HB3 LEU 69 HB3 LEU 69 -9.625 3.524 3.399 155 HG LEU 69 HG LEU 69 -9.041 1.218 5.307 156 HD11 LEU 69 HD11 LEU 69 -8.576 1.577 2.330 157 HD12 LEU 69 HD12 LEU 69 -8.034 0.187 3.303 158 HD13 LEU 69 HD13 LEU 69 -9.766 0.505 3.088 159 HD21 LEU 69 HD21 LEU 69 -7.335 2.927 5.637 160 HD22 LEU 69 HD22 LEU 69 -6.663 1.595 4.700 161 HD23 LEU 69 HD23 LEU 69 -7.130 3.106 3.881 162 H ALA 70 H ALA 70 -12.020 4.743 6.880 163 HA ALA 70 HA ALA 70 -13.589 6.096 5.049 164 HB1 ALA 70 HB1 ALA 70 -13.194 6.773 7.991 165 HB2 ALA 70 HB2 ALA 70 -14.576 7.261 6.986 166 HB3 ALA 70 HB3 ALA 70 -14.296 5.547 7.334 167 H GLY 71 H GLY 71 -13.454 7.891 3.874 168 HA2 GLY 71 HA2 GLY 71 -13.026 10.184 3.440 169 HA3 GLY 71 HA3 GLY 71 -11.813 10.215 4.729 170 H LEU 72 H LEU 72 -10.971 7.504 3.059 171 HA LEU 72 HA LEU 72 -8.906 9.042 1.566 172 HB2 LEU 72 HB2 LEU 72 -8.940 6.172 2.523 173 HB3 LEU 72 HB3 LEU 72 -7.562 7.041 1.878 174 HG LEU 72 HG LEU 72 -8.899 7.492 4.557 175 HD11 LEU 72 HD11 LEU 72 -6.068 6.682 3.786 176 HD12 LEU 72 HD12 LEU 72 -6.729 6.821 5.431 177 HD13 LEU 72 HD13 LEU 72 -7.339 5.574 4.332 178 HD21 LEU 72 HD21 LEU 72 -8.288 9.703 3.751 179 HD22 LEU 72 HD22 LEU 72 -7.133 9.187 4.980 180 HD23 LEU 72 HD23 LEU 72 -6.675 9.119 3.264 181 HA PRO 73 HA PRO 73 -10.090 7.661 -2.571 182 HB2 PRO 73 HB2 PRO 73 -7.696 6.830 -3.628 183 HB3 PRO 73 HB3 PRO 73 -8.128 8.549 -3.429 184 HG2 PRO 73 HG2 PRO 73 -6.532 6.790 -1.524 185 HG3 PRO 73 HG3 PRO 73 -6.053 8.377 -2.182 186 HD2 PRO 73 HD2 PRO 73 -7.150 8.255 0.229 187 HD3 PRO 73 HD3 PRO 73 -7.784 9.477 -0.891 188 H VAL 74 H VAL 74 -10.822 5.838 -3.544 189 HA VAL 74 HA VAL 74 -10.287 3.253 -2.240 190 HB VAL 74 HB VAL 74 -11.966 3.813 -4.706 191 HG11 VAL 74 HG11 VAL 74 -11.808 1.395 -2.862 192 HG12 VAL 74 HG12 VAL 74 -13.007 1.638 -4.155 193 HG13 VAL 74 HG13 VAL 74 -11.302 1.453 -4.569 194 HG21 VAL 74 HG21 VAL 74 -12.888 4.980 -2.741 195 HG22 VAL 74 HG22 VAL 74 -13.887 3.585 -3.147 196 HG23 VAL 74 HG23 VAL 74 -12.757 3.487 -1.779 197 H THR 75 H THR 75 -9.312 4.939 -5.214 198 HA THR 75 HA THR 75 -7.280 2.796 -5.720 199 HB THR 75 HB THR 75 -7.760 2.791 -8.004 200 HG1 THR 75 HG1 THR 75 -9.272 4.416 -8.865 201 HG21 THR 75 HG21 THR 75 -10.519 3.315 -6.828 202 HG22 THR 75 HG22 THR 75 -10.134 2.406 -8.305 203 HG23 THR 75 HG23 THR 75 -9.654 1.769 -6.719 204 H ARG 76 H ARG 76 -5.478 3.390 -7.129 205 HA ARG 76 HA ARG 76 -4.147 5.830 -6.428 206 HB2 ARG 76 HB2 ARG 76 -2.526 5.229 -8.184 207 HB3 ARG 76 HB3 ARG 76 -2.918 3.866 -7.140 208 HG2 ARG 76 HG2 ARG 76 -4.470 2.982 -8.901 209 HG3 ARG 76 HG3 ARG 76 -4.005 4.311 -9.967 210 HD2 ARG 76 HD2 ARG 76 -2.004 2.341 -8.783 211 HD3 ARG 76 HD3 ARG 76 -2.841 2.036 -10.295 212 HE ARG 76 HE ARG 76 -0.667 3.977 -9.818 213 HH11 ARG 76 HH11 ARG 76 -3.115 3.013 -12.174 214 HH12 ARG 76 HH12 ARG 76 -2.212 3.723 -13.481 215 HH21 ARG 76 HH21 ARG 76 0.354 4.785 -11.406 216 HH22 ARG 76 HH22 ARG 76 -0.222 4.704 -13.074 217 H SER 77 H SER 77 -6.371 5.162 -9.094 218 HA SER 77 HA SER 77 -5.934 7.673 -10.472 219 HB2 SER 77 HB2 SER 77 -8.360 5.843 -10.524 220 HB3 SER 77 HB3 SER 77 -7.965 7.125 -11.688 221 HG SER 77 HG SER 77 -7.288 5.040 -12.429 222 H ASP 78 H ASP 78 -8.320 6.612 -7.952 223 HA ASP 78 HA ASP 78 -9.653 9.156 -7.789 224 HB2 ASP 78 HB2 ASP 78 -9.171 7.231 -5.488 225 HB3 ASP 78 HB3 ASP 78 -10.385 8.513 -5.573 226 H ALA 79 H ALA 79 -6.772 7.874 -6.046 227 HA ALA 79 HA ALA 79 -6.285 10.159 -4.439 228 HB1 ALA 79 HB1 ALA 79 -4.211 8.260 -5.637 229 HB2 ALA 79 HB2 ALA 79 -4.083 9.202 -4.136 230 HB3 ALA 79 HB3 ALA 79 -5.229 7.854 -4.252 231 H ARG 80 H ARG 80 -4.931 9.408 -7.692 232 HA ARG 80 HA ARG 80 -3.462 11.815 -8.127 233 HB2 ARG 80 HB2 ARG 80 -3.472 9.643 -9.450 234 HB3 ARG 80 HB3 ARG 80 -4.978 10.167 -10.213 235 HG2 ARG 80 HG2 ARG 80 -3.763 12.229 -11.035 236 HG3 ARG 80 HG3 ARG 80 -2.284 11.585 -10.309 237 HD2 ARG 80 HD2 ARG 80 -3.913 10.382 -12.581 238 HD3 ARG 80 HD3 ARG 80 -2.320 11.111 -12.720 239 HE ARG 80 HE ARG 80 -2.965 8.404 -11.931 240 HH11 ARG 80 HH11 ARG 80 -0.425 10.815 -11.501 241 HH12 ARG 80 HH12 ARG 80 0.719 9.622 -10.990 242 HH21 ARG 80 HH21 ARG 80 -1.409 6.957 -11.300 243 HH22 ARG 80 HH22 ARG 80 0.225 7.488 -10.987 244 H VAL 81 H VAL 81 -6.901 11.143 -8.906 245 HA VAL 81 HA VAL 81 -7.343 13.831 -9.924 246 HB VAL 81 HB VAL 81 -9.243 11.590 -9.173 247 HG11 VAL 81 HG11 VAL 81 -9.896 14.216 -10.595 248 HG12 VAL 81 HG12 VAL 81 -10.986 12.820 -10.427 249 HG13 VAL 81 HG13 VAL 81 -10.502 13.730 -8.997 250 HG21 VAL 81 HG21 VAL 81 -7.790 11.193 -11.164 251 HG22 VAL 81 HG22 VAL 81 -9.490 11.356 -11.608 252 HG23 VAL 81 HG23 VAL 81 -8.371 12.711 -11.877 253 H LEU 82 H LEU 82 -7.864 12.388 -6.635 254 HA LEU 82 HA LEU 82 -9.122 14.740 -5.555 255 HB2 LEU 82 HB2 LEU 82 -7.460 12.504 -4.345 256 HB3 LEU 82 HB3 LEU 82 -8.163 13.773 -3.355 257 HG LEU 82 HG LEU 82 -9.890 12.111 -5.210 258 HD11 LEU 82 HD11 LEU 82 -9.284 11.514 -2.291 259 HD12 LEU 82 HD12 LEU 82 -10.361 10.602 -3.396 260 HD13 LEU 82 HD13 LEU 82 -8.620 10.633 -3.680 261 HD21 LEU 82 HD21 LEU 82 -10.942 14.154 -4.322 262 HD22 LEU 82 HD22 LEU 82 -11.682 12.702 -3.634 263 HD23 LEU 82 HD23 LEU 82 -10.531 13.651 -2.667 264 H ILE 83 H ILE 83 -5.643 13.803 -5.714 265 HA ILE 83 HA ILE 83 -4.638 16.217 -4.517 266 HB ILE 83 HB ILE 83 -3.357 14.336 -6.538 267 HG12 ILE 83 HG12 ILE 83 -2.701 14.507 -3.570 268 HG13 ILE 83 HG13 ILE 83 -4.046 13.519 -4.113 269 HG21 ILE 83 HG21 ILE 83 -2.154 16.603 -4.875 270 HG22 ILE 83 HG22 ILE 83 -1.175 15.365 -5.666 271 HG23 ILE 83 HG23 ILE 83 -2.151 16.459 -6.647 272 HD11 ILE 83 HD11 ILE 83 -1.162 13.160 -5.000 273 HD12 ILE 83 HD12 ILE 83 -2.092 12.115 -3.913 274 HD13 ILE 83 HD13 ILE 83 -2.550 12.241 -5.617 275 H PHE 84 H PHE 84 -5.325 15.401 -7.966 276 HA PHE 84 HA PHE 84 -4.512 17.883 -9.046 277 HB2 PHE 84 HB2 PHE 84 -5.036 15.879 -10.426 278 HB3 PHE 84 HB3 PHE 84 -6.717 16.000 -9.958 279 HD1 PHE 84 HD1 PHE 84 -4.439 18.822 -10.987 280 HD2 PHE 84 HD2 PHE 84 -7.899 16.437 -11.946 281 HE1 PHE 84 HE1 PHE 84 -4.863 20.249 -12.941 282 HE2 PHE 84 HE2 PHE 84 -8.342 17.898 -13.906 283 HZ PHE 84 HZ PHE 84 -6.811 19.801 -14.415 284 H ASN 85 H ASN 85 -7.844 16.910 -8.027 285 HA ASN 85 HA ASN 85 -9.034 19.412 -8.635 286 HB2 ASN 85 HB2 ASN 85 -10.331 17.351 -8.350 287 HB3 ASN 85 HB3 ASN 85 -9.814 17.208 -6.666 288 HD21 ASN 85 HD22 ASN 85 -11.675 19.361 -8.900 289 HD22 ASN 85 HD21 ASN 85 -12.682 19.996 -7.617 290 H GLU 86 H GLU 86 -7.555 18.235 -5.564 291 HA GLU 86 HA GLU 86 -8.110 20.550 -3.995 292 HB2 GLU 86 HB2 GLU 86 -7.311 18.412 -3.070 293 HB3 GLU 86 HB3 GLU 86 -5.739 18.641 -3.853 294 HG2 GLU 86 HG2 GLU 86 -5.346 20.673 -2.510 295 HG3 GLU 86 HG3 GLU 86 -6.958 20.542 -1.803 296 H TRP 87 H TRP 87 -5.082 19.814 -5.958 297 HA TRP 87 HA TRP 87 -3.914 22.348 -5.644 298 HB2 TRP 87 HB2 TRP 87 -2.711 20.495 -6.623 299 HB3 TRP 87 HB3 TRP 87 -3.868 20.372 -7.947 300 HD1 TRP 87 HD1 TRP 87 -1.081 22.642 -6.657 301 HE1 TRP 87 HE1 TRP 87 -0.319 24.258 -8.515 302 HE3 TRP 87 HE3 TRP 87 -4.543 21.448 -10.239 303 HZ2 TRP 87 HZ2 TRP 87 -1.047 24.866 -11.223 304 HZ3 TRP 87 HZ3 TRP 87 -4.498 22.587 -12.448 305 HH2 TRP 87 HH2 TRP 87 -2.753 24.283 -12.949 306 H GLU 88 H GLU 88 -6.400 21.363 -8.076 307 HA GLU 88 HA GLU 88 -6.282 23.795 -9.535 308 HB2 GLU 88 HB2 GLU 88 -7.523 21.383 -9.875 309 HB3 GLU 88 HB3 GLU 88 -8.910 22.364 -9.445 310 HG2 GLU 88 HG2 GLU 88 -6.885 22.969 -11.653 311 HG3 GLU 88 HG3 GLU 88 -8.411 22.134 -11.903 312 H GLU 89 H GLU 89 -8.486 22.883 -6.823 313 HA GLU 89 HA GLU 89 -9.884 25.405 -6.746 314 HB2 GLU 89 HB2 GLU 89 -9.433 23.211 -4.687 315 HB3 GLU 89 HB3 GLU 89 -10.419 24.637 -4.368 316 HG2 GLU 89 HG2 GLU 89 -10.953 22.678 -6.645 317 HG3 GLU 89 HG3 GLU 89 -11.726 22.619 -5.065 318 H ARG 90 H ARG 90 -7.011 24.220 -4.947 319 HA ARG 90 HA ARG 90 -6.529 26.606 -3.393 320 HB2 ARG 90 HB2 ARG 90 -4.573 24.625 -4.612 321 HB3 ARG 90 HB3 ARG 90 -4.152 25.814 -3.384 322 HG2 ARG 90 HG2 ARG 90 -6.363 23.877 -2.742 323 HG3 ARG 90 HG3 ARG 90 -4.726 23.249 -2.905 324 HD2 ARG 90 HD2 ARG 90 -5.071 23.705 -0.585 325 HD3 ARG 90 HD3 ARG 90 -3.943 24.917 -1.208 326 HE ARG 90 HE ARG 90 -6.792 25.700 -1.192 327 HH11 ARG 90 HH11 ARG 90 -3.877 25.723 0.760 328 HH12 ARG 90 HH12 ARG 90 -4.459 27.010 1.777 329 HH21 ARG 90 HH21 ARG 90 -7.466 27.352 0.150 330 HH22 ARG 90 HH22 ARG 90 -6.431 27.909 1.428 331 H LYS 91 H LYS 91 -5.251 25.610 -6.556 332 HA LYS 91 HA LYS 91 -3.880 28.038 -7.166 333 HB2 LYS 91 HB2 LYS 91 -3.470 25.978 -8.380 334 HB3 LYS 91 HB3 LYS 91 -5.084 25.983 -9.076 335 HG2 LYS 91 HG2 LYS 91 -3.412 28.436 -9.548 336 HG3 LYS 91 HG3 LYS 91 -2.834 26.965 -10.297 337 HD2 LYS 91 HD2 LYS 91 -5.746 27.773 -10.640 338 HD3 LYS 91 HD3 LYS 91 -4.473 28.516 -11.625 339 HE2 LYS 91 HE2 LYS 91 -3.730 26.387 -12.470 340 HE3 LYS 91 HE3 LYS 91 -4.792 25.493 -11.373 341 HZ1 LYS 91 HZ1 LYS 91 -5.869 27.339 -13.450 342 HZ2 LYS 91 HZ2 LYS 91 -5.631 25.745 -13.723 343 HZ3 LYS 91 HZ3 LYS 91 -6.694 26.190 -12.577 344 H LYS 92 H LYS 92 -7.343 27.294 -7.633 345 HA LYS 92 HA LYS 92 -8.023 29.805 -8.885 346 HB2 LYS 92 HB2 LYS 92 -9.455 27.509 -7.723 347 HB3 LYS 92 HB3 LYS 92 -10.225 29.019 -7.286 348 HG2 LYS 92 HG2 LYS 92 -11.210 28.133 -9.289 349 HG3 LYS 92 HG3 LYS 92 -10.410 29.664 -9.650 350 HD2 LYS 92 HD2 LYS 92 -8.536 28.528 -10.701 351 HD3 LYS 92 HD3 LYS 92 -9.111 26.949 -10.159 352 HE2 LYS 92 HE2 LYS 92 -10.734 28.749 -12.014 353 HE3 LYS 92 HE3 LYS 92 -9.520 27.613 -12.613 354 HZ1 LYS 92 HZ1 LYS 92 -11.901 26.813 -11.019 355 HZ2 LYS 92 HZ2 LYS 92 -11.692 26.571 -12.624 356 HZ3 LYS 92 HZ3 LYS 92 -10.719 25.798 -11.552 357 H SER 93 H SER 93 -7.902 28.965 -5.358 358 HA SER 93 HA SER 93 -8.628 31.741 -4.716 359 HB2 SER 93 HB2 SER 93 -8.485 31.029 -2.384 360 HB3 SER 93 HB3 SER 93 -9.557 30.027 -3.374 361 HG SER 93 HG SER 93 -8.244 28.739 -2.032 362 H ASP 94 H ASP 94 -5.596 29.996 -4.822 363 HA ASP 94 HA ASP 94 -3.991 32.417 -4.311 364 HB2 ASP 94 HB2 ASP 94 -3.939 29.877 -2.653 365 HB3 ASP 94 HB3 ASP 94 -2.532 30.920 -2.811 366 HA PRO 95 HA PRO 95 -2.904 30.124 -7.991 367 HB2 PRO 95 HB2 PRO 95 -1.425 31.991 -9.359 368 HB3 PRO 95 HB3 PRO 95 -3.187 32.132 -9.082 369 HG2 PRO 95 HG2 PRO 95 -0.955 33.306 -7.363 370 HG3 PRO 95 HG3 PRO 95 -2.328 34.192 -8.133 371 HD2 PRO 95 HD2 PRO 95 -2.497 33.385 -5.587 372 HD3 PRO 95 HD3 PRO 95 -3.906 33.100 -6.662 373 H TRP 96 H TRP 96 -0.386 30.987 -5.789 374 HA TRP 96 HA TRP 96 1.918 30.371 -7.306 375 HB2 TRP 96 HB2 TRP 96 3.086 30.466 -5.241 376 HB3 TRP 96 HB3 TRP 96 1.785 31.633 -5.110 377 HD1 TRP 96 HD1 TRP 96 -0.426 30.711 -3.680 378 HE1 TRP 96 HE1 TRP 96 -0.566 29.174 -1.618 379 HE3 TRP 96 HE3 TRP 96 4.164 28.517 -4.034 380 HZ2 TRP 96 HZ2 TRP 96 1.084 27.163 -0.356 381 HZ3 TRP 96 HZ3 TRP 96 4.842 26.738 -2.423 382 HH2 TRP 96 HH2 TRP 96 3.312 26.060 -0.586 383 H LEU 97 H LEU 97 -0.285 28.093 -5.754 384 HA LEU 97 HA LEU 97 1.563 26.332 -4.759 385 HB2 LEU 97 HB2 LEU 97 -0.857 26.488 -4.181 386 HB3 LEU 97 HB3 LEU 97 -1.255 25.703 -5.708 387 HG LEU 97 HG LEU 97 -0.018 23.654 -4.941 388 HD11 LEU 97 HD11 LEU 97 0.146 25.143 -2.285 389 HD12 LEU 97 HD12 LEU 97 0.515 23.424 -2.532 390 HD13 LEU 97 HD13 LEU 97 1.534 24.659 -3.278 391 HD21 LEU 97 HD21 LEU 97 -2.431 23.903 -4.663 392 HD22 LEU 97 HD22 LEU 97 -1.726 22.940 -3.349 393 HD23 LEU 97 HD23 LEU 97 -2.169 24.643 -3.060 394 H ARG 98 H ARG 98 2.478 24.347 -5.376 395 HA ARG 98 HA ARG 98 2.485 23.649 -8.273 396 HB2 ARG 98 HB2 ARG 98 4.507 22.387 -7.821 397 HB3 ARG 98 HB3 ARG 98 4.658 24.075 -7.340 398 HG2 ARG 98 HG2 ARG 98 4.360 23.444 -4.955 399 HG3 ARG 98 HG3 ARG 98 4.121 21.757 -5.424 400 HD2 ARG 98 HD2 ARG 98 6.394 21.993 -4.666 401 HD3 ARG 98 HD3 ARG 98 6.414 21.720 -6.400 402 HE ARG 98 HE ARG 98 7.204 23.882 -6.782 403 HH11 ARG 98 HH11 ARG 98 6.522 23.597 -3.350 404 HH12 ARG 98 HH12 ARG 98 7.365 25.074 -2.971 405 HH21 ARG 98 HH21 ARG 98 8.230 25.763 -6.231 406 HH22 ARG 98 HH22 ARG 98 8.296 26.273 -4.571 407 H LEU 99 H LEU 99 2.231 21.547 -9.018 408 HA LEU 99 HA LEU 99 0.367 19.856 -7.408 409 HB2 LEU 99 HB2 LEU 99 -0.272 21.034 -9.625 410 HB3 LEU 99 HB3 LEU 99 0.793 19.900 -10.410 411 HG LEU 99 HG LEU 99 -1.859 19.295 -8.987 412 HD11 LEU 99 HD11 LEU 99 -0.783 18.942 -11.827 413 HD12 LEU 99 HD12 LEU 99 -2.356 18.378 -11.277 414 HD13 LEU 99 HD13 LEU 99 -2.007 20.116 -11.306 415 HD21 LEU 99 HD21 LEU 99 -0.414 17.495 -8.361 416 HD22 LEU 99 HD22 LEU 99 -1.583 16.999 -9.565 417 HD23 LEU 99 HD23 LEU 99 0.113 17.296 -10.063 418 H ASP 100 H ASP 100 1.323 18.041 -6.547 419 HA ASP 100 HA ASP 100 3.407 16.574 -8.131 420 HB2 ASP 100 HB2 ASP 100 3.460 17.318 -5.193 421 HB3 ASP 100 HB3 ASP 100 4.433 16.018 -5.875 422 H MET 101 H MET 101 2.516 14.750 -8.763 423 HA MET 101 HA MET 101 1.439 12.852 -6.802 424 HB2 MET 101 HB2 MET 101 -0.631 12.442 -8.313 425 HB3 MET 101 HB3 MET 101 -0.609 13.760 -7.170 426 HG2 MET 101 HG2 MET 101 -1.622 14.684 -8.955 427 HG3 MET 101 HG3 MET 101 0.020 15.270 -9.118 428 HE1 MET 101 HE1 MET 101 -1.656 15.882 -11.467 429 HE2 MET 101 HE2 MET 101 -2.083 14.583 -12.604 430 HE3 MET 101 HE3 MET 101 -2.829 14.628 -10.987 431 H SER 102 H SER 102 3.779 12.495 -7.720 432 HA SER 102 HA SER 102 3.846 10.426 -9.782 433 HB2 SER 102 HB2 SER 102 5.942 9.776 -8.694 434 HB3 SER 102 HB3 SER 102 5.897 11.527 -8.959 435 HG SER 102 HG SER 102 6.587 11.168 -6.857 436 H ASP 103 H ASP 103 3.766 8.101 -9.333 437 HA ASP 103 HA ASP 103 1.715 7.311 -7.536 438 HB2 ASP 103 HB2 ASP 103 3.873 5.781 -9.006 439 HB3 ASP 103 HB3 ASP 103 2.738 4.978 -7.922 440 H LYS 104 H LYS 104 5.212 7.524 -6.999 441 HA LYS 104 HA LYS 104 5.349 6.464 -4.346 442 HB2 LYS 104 HB2 LYS 104 7.264 7.103 -5.847 443 HB3 LYS 104 HB3 LYS 104 6.912 8.803 -5.537 444 HG2 LYS 104 HG2 LYS 104 7.351 8.461 -3.115 445 HG3 LYS 104 HG3 LYS 104 7.638 6.735 -3.409 446 HD2 LYS 104 HD2 LYS 104 9.557 7.308 -4.882 447 HD3 LYS 104 HD3 LYS 104 9.266 9.036 -4.585 448 HE2 LYS 104 HE2 LYS 104 9.652 8.680 -2.154 449 HE3 LYS 104 HE3 LYS 104 9.929 6.957 -2.444 450 HZ1 LYS 104 HZ1 LYS 104 11.613 9.160 -3.543 451 HZ2 LYS 104 HZ2 LYS 104 12.030 8.179 -2.310 452 HZ3 LYS 104 HZ3 LYS 104 11.866 7.566 -3.811 453 H ALA 105 H ALA 105 4.466 9.794 -5.445 454 HA ALA 105 HA ALA 105 4.028 10.816 -2.785 455 HB1 ALA 105 HB1 ALA 105 2.885 11.791 -5.412 456 HB2 ALA 105 HB2 ALA 105 3.045 12.704 -3.894 457 HB3 ALA 105 HB3 ALA 105 4.491 12.210 -4.781 458 H ILE 106 H ILE 106 1.902 9.084 -5.049 459 HA ILE 106 HA ILE 106 -0.461 9.408 -3.371 460 HB ILE 106 HB ILE 106 0.236 7.578 -5.674 461 HG12 ILE 106 HG12 ILE 106 -1.817 8.653 -6.613 462 HG13 ILE 106 HG13 ILE 106 -2.001 9.584 -5.124 463 HG21 ILE 106 HG21 ILE 106 -2.258 7.288 -3.935 464 HG22 ILE 106 HG22 ILE 106 -2.042 6.586 -5.557 465 HG23 ILE 106 HG23 ILE 106 -1.016 6.051 -4.240 466 HD11 ILE 106 HD11 ILE 106 0.329 9.737 -7.050 467 HD12 ILE 106 HD12 ILE 106 -1.010 10.893 -6.911 468 HD13 ILE 106 HD13 ILE 106 0.161 10.743 -5.587 469 H PHE 107 H PHE 107 1.903 6.720 -3.628 470 HA PHE 107 HA PHE 107 0.671 5.248 -1.501 471 HB2 PHE 107 HB2 PHE 107 3.592 5.048 -2.250 472 HB3 PHE 107 HB3 PHE 107 2.565 3.828 -1.475 473 HD1 PHE 107 HD1 PHE 107 0.108 3.993 -3.199 474 HD2 PHE 107 HD2 PHE 107 4.290 3.894 -4.228 475 HE1 PHE 107 HE1 PHE 107 -0.471 3.084 -5.404 476 HE2 PHE 107 HE2 PHE 107 3.711 2.937 -6.444 477 HZ PHE 107 HZ PHE 107 1.329 2.543 -7.054 478 H ARG 108 H ARG 108 3.139 7.815 -1.375 479 HA ARG 108 HA ARG 108 3.683 7.608 1.446 480 HB2 ARG 108 HB2 ARG 108 5.145 8.730 -0.216 481 HB3 ARG 108 HB3 ARG 108 3.944 10.019 -0.405 482 HG2 ARG 108 HG2 ARG 108 4.221 10.630 1.980 483 HG3 ARG 108 HG3 ARG 108 5.352 9.280 2.202 484 HD2 ARG 108 HD2 ARG 108 6.891 10.308 0.552 485 HD3 ARG 108 HD3 ARG 108 5.757 11.664 0.347 486 HE ARG 108 HE ARG 108 6.350 11.406 3.119 487 HH11 ARG 108 HH11 ARG 108 8.045 12.403 0.214 488 HH12 ARG 108 HH12 ARG 108 9.136 13.434 1.097 489 HH21 ARG 108 HH21 ARG 108 7.773 12.740 4.180 490 HH22 ARG 108 HH22 ARG 108 8.979 13.616 3.288 491 H ARG 109 H ARG 109 1.329 9.687 -0.345 492 HA ARG 109 HA ARG 109 0.214 10.859 2.091 493 HB2 ARG 109 HB2 ARG 109 -0.838 10.627 -0.760 494 HB3 ARG 109 HB3 ARG 109 -1.729 11.416 0.544 495 HG2 ARG 109 HG2 ARG 109 0.180 12.991 0.898 496 HG3 ARG 109 HG3 ARG 109 1.005 12.275 -0.497 497 HD2 ARG 109 HD2 ARG 109 -1.009 12.849 -1.907 498 HD3 ARG 109 HD3 ARG 109 -1.736 13.611 -0.501 499 HE ARG 109 HE ARG 109 -0.166 15.374 -0.558 500 HH11 ARG 109 HH11 ARG 109 0.545 13.197 -3.201 501 HH12 ARG 109 HH12 ARG 109 1.153 14.495 -4.224 502 HH21 ARG 109 HH21 ARG 109 0.810 16.925 -1.835 503 HH22 ARG 109 HH22 ARG 109 1.431 16.485 -3.402 504 H TYR 110 H TYR 110 -0.635 8.029 0.166 505 HA TYR 110 HA TYR 110 -2.788 7.275 2.097 506 HB2 TYR 110 HB2 TYR 110 -2.767 6.944 -0.914 507 HB3 TYR 110 HB3 TYR 110 -4.074 6.566 0.200 508 HD1 TYR 110 HD2 TYR 110 -4.895 8.597 1.722 509 HD2 TYR 110 HD1 TYR 110 -2.821 8.994 -2.034 510 HE1 TYR 110 HE2 TYR 110 -5.868 10.877 1.422 511 HE2 TYR 110 HE1 TYR 110 -3.807 11.265 -2.342 512 HH TYR 110 HH TYR 110 -5.172 12.905 -1.446 513 HA PRO 111 HA PRO 111 0.490 4.061 1.916 514 HB2 PRO 111 HB2 PRO 111 0.329 3.097 4.482 515 HB3 PRO 111 HB3 PRO 111 1.142 4.628 4.039 516 HG2 PRO 111 HG2 PRO 111 -1.695 4.260 5.059 517 HG3 PRO 111 HG3 PRO 111 -0.441 5.391 5.666 518 HD2 PRO 111 HD2 PRO 111 -2.332 6.212 3.925 519 HD3 PRO 111 HD3 PRO 111 -0.641 6.781 3.753 520 H HIS 112 H HIS 112 -2.919 3.605 2.388 521 HA HIS 112 HA HIS 112 -2.864 0.695 2.417 522 HB2 HIS 112 HB2 HIS 112 -5.222 0.835 2.331 523 HB3 HIS 112 HB3 HIS 112 -4.618 2.023 3.475 524 HD2 HIS 112 HD2 HIS 112 -6.919 1.664 0.600 525 HE1 HIS 112 HE1 HIS 112 -6.201 5.849 0.774 526 HE2 HIS 112 HE2 HIS 112 -7.697 4.069 -0.193 527 H LEU 113 H LEU 113 -2.389 2.980 -0.145 528 HA LEU 113 HA LEU 113 -3.441 1.216 -2.234 529 HB2 LEU 113 HB2 LEU 113 -1.920 3.835 -2.300 530 HB3 LEU 113 HB3 LEU 113 -2.202 2.893 -3.754 531 HG LEU 113 HG LEU 113 -3.816 4.714 -3.584 532 HD11 LEU 113 HD11 LEU 113 -5.237 2.065 -3.082 533 HD12 LEU 113 HD12 LEU 113 -5.912 3.518 -3.806 534 HD13 LEU 113 HD13 LEU 113 -4.618 2.624 -4.659 535 HD21 LEU 113 HD21 LEU 113 -3.853 4.791 -1.092 536 HD22 LEU 113 HD22 LEU 113 -5.447 4.878 -1.880 537 HD23 LEU 113 HD23 LEU 113 -4.906 3.370 -1.126 538 H ARG 114 H ARG 114 -0.293 1.697 -0.748 539 HA ARG 114 HA ARG 114 1.592 0.484 -0.700 540 HB2 ARG 114 HB2 ARG 114 -0.293 -1.754 -1.470 541 HB3 ARG 114 HB3 ARG 114 1.370 -1.970 -0.919 542 HG2 ARG 114 HG2 ARG 114 0.820 -0.842 1.226 543 HG3 ARG 114 HG3 ARG 114 -0.872 -0.687 0.699 544 HD2 ARG 114 HD2 ARG 114 -1.073 -3.123 0.530 545 HD3 ARG 114 HD3 ARG 114 0.636 -3.315 0.976 546 HE ARG 114 HE ARG 114 -0.616 -1.817 3.022 547 HH11 ARG 114 HH11 ARG 114 -0.736 -5.100 1.802 548 HH12 ARG 114 HH12 ARG 114 -1.190 -5.757 3.351 549 HH21 ARG 114 HH21 ARG 114 -1.204 -2.722 4.969 550 HH22 ARG 114 HH22 ARG 114 -1.448 -4.440 5.093 Start of MODEL 17 1 H1 MET 1 H1 MET 1 12.166 44.080 -10.014 2 H2 MET 1 H2 MET 1 13.550 44.919 -9.838 3 H3 MET 1 H3 MET 1 13.047 43.920 -8.645 4 HA MET 1 HA MET 1 13.911 43.101 -11.358 5 HB2 MET 1 HB2 MET 1 15.356 42.745 -8.700 6 HB3 MET 1 HB3 MET 1 15.743 41.846 -10.168 7 HG2 MET 1 HG2 MET 1 16.224 43.960 -11.363 8 HG3 MET 1 HG3 MET 1 15.836 44.872 -9.904 9 HE1 MET 1 HE1 MET 1 18.416 42.633 -11.770 10 HE2 MET 1 HE2 MET 1 19.638 42.290 -10.527 11 HE3 MET 1 HE3 MET 1 18.045 41.517 -10.433 12 H ARG 2 H ARG 2 13.590 41.354 -8.189 13 HA ARG 2 HA ARG 2 12.515 39.006 -9.528 14 HB2 ARG 2 HB2 ARG 2 14.001 38.989 -7.525 15 HB3 ARG 2 HB3 ARG 2 12.696 39.686 -6.560 16 HG2 ARG 2 HG2 ARG 2 11.310 37.691 -6.927 17 HG3 ARG 2 HG3 ARG 2 12.526 36.998 -8.010 18 HD2 ARG 2 HD2 ARG 2 12.975 37.663 -5.070 19 HD3 ARG 2 HD3 ARG 2 12.513 36.064 -5.679 20 HE ARG 2 HE ARG 2 14.805 36.761 -7.125 21 HH11 ARG 2 HH11 ARG 2 14.088 36.150 -3.749 22 HH12 ARG 2 HH12 ARG 2 15.713 35.618 -3.403 23 HH21 ARG 2 HH21 ARG 2 16.863 36.087 -6.616 24 HH22 ARG 2 HH22 ARG 2 17.238 35.580 -4.995 25 H GLY 3 H GLY 3 10.460 38.083 -9.324 26 HA2 GLY 3 HA2 GLY 3 8.229 39.415 -8.009 27 HA3 GLY 3 HA3 GLY 3 8.178 39.565 -9.766 28 H SER 4 H SER 4 6.091 38.369 -8.777 29 HA SER 4 HA SER 4 6.414 35.444 -8.569 30 HB2 SER 4 HB2 SER 4 4.872 36.779 -7.102 31 HB3 SER 4 HB3 SER 4 3.854 37.067 -8.530 32 HG SER 4 HG SER 4 3.204 35.212 -7.275 33 H HIS 5 H HIS 5 5.135 33.975 -9.847 34 HA HIS 5 HA HIS 5 4.414 34.814 -12.608 35 HB2 HIS 5 HB2 HIS 5 6.292 32.504 -11.962 36 HB3 HIS 5 HB3 HIS 5 5.677 32.922 -13.557 37 HD2 HIS 5 HD2 HIS 5 6.429 35.552 -14.424 38 HE1 HIS 5 HE1 HIS 5 10.150 35.404 -12.340 39 HE2 HIS 5 HE2 HIS 5 8.830 36.610 -14.154 40 H HIS 6 H HIS 6 3.053 33.334 -13.724 41 HA HIS 6 HA HIS 6 1.838 31.111 -12.178 42 HB2 HIS 6 HB2 HIS 6 -0.417 31.883 -12.672 43 HB3 HIS 6 HB3 HIS 6 0.452 33.071 -11.712 44 HD2 HIS 6 HD2 HIS 6 -1.251 32.598 -15.092 45 HE1 HIS 6 HE1 HIS 6 0.142 36.630 -15.052 46 HE2 HIS 6 HE2 HIS 6 -1.292 34.940 -16.305 47 H HIS 7 H HIS 7 0.818 29.524 -13.383 48 HA HIS 7 HA HIS 7 0.865 29.491 -16.321 49 HB2 HIS 7 HB2 HIS 7 3.241 28.993 -15.483 50 HB3 HIS 7 HB3 HIS 7 2.593 27.543 -14.727 51 HD2 HIS 7 HD2 HIS 7 4.368 26.211 -16.350 52 HE1 HIS 7 HE1 HIS 7 2.143 26.701 -19.957 53 HE2 HIS 7 HE2 HIS 7 4.065 25.444 -18.855 54 H HIS 8 H HIS 8 0.542 26.843 -16.757 55 HA HIS 8 HA HIS 8 -0.890 25.089 -16.756 56 HB2 HIS 8 HB2 HIS 8 -0.639 25.357 -13.754 57 HB3 HIS 8 HB3 HIS 8 -1.147 23.921 -14.637 58 HD2 HIS 8 HD2 HIS 8 1.829 25.273 -13.047 59 HE1 HIS 8 HE1 HIS 8 3.457 22.892 -16.191 60 HE2 HIS 8 HE2 HIS 8 3.992 24.124 -14.026 61 H HIS 9 H HIS 9 -2.539 26.439 -17.746 62 HA HIS 9 HA HIS 9 -4.861 27.250 -16.191 63 HB2 HIS 9 HB2 HIS 9 -4.478 27.029 -19.198 64 HB3 HIS 9 HB3 HIS 9 -5.783 27.881 -18.369 65 HD2 HIS 9 HD2 HIS 9 -5.170 30.202 -17.100 66 HE1 HIS 9 HE1 HIS 9 -1.304 30.708 -18.840 67 HE2 HIS 9 HE2 HIS 9 -3.150 31.849 -17.502 68 H HIS 10 H HIS 10 -4.378 24.628 -15.597 69 HA HIS 10 HA HIS 10 -6.219 22.895 -17.167 70 HB2 HIS 10 HB2 HIS 10 -4.035 22.221 -15.157 71 HB3 HIS 10 HB3 HIS 10 -4.981 21.053 -16.076 72 HD2 HIS 10 HD2 HIS 10 -4.543 20.906 -18.771 73 HE1 HIS 10 HE1 HIS 10 -0.822 22.997 -18.726 74 HE2 HIS 10 HE2 HIS 10 -2.367 21.530 -20.123 75 H GLY 11 H GLY 11 -7.480 21.244 -16.026 76 HA2 GLY 11 HA2 GLY 11 -8.018 21.318 -13.229 77 HA3 GLY 11 HA3 GLY 11 -9.286 22.204 -14.085 78 H SER 12 H SER 12 -10.109 20.110 -12.682 79 HA SER 12 HA SER 12 -10.886 18.064 -14.696 80 HB2 SER 12 HB2 SER 12 -10.317 16.214 -13.198 81 HB3 SER 12 HB3 SER 12 -8.890 17.152 -13.650 82 HG SER 12 HG SER 12 -8.862 16.728 -11.420 83 H GLY 58 H GLY 58 -12.625 16.678 -14.103 84 HA2 GLY 58 HA2 GLY 58 -14.726 17.920 -12.469 85 HA3 GLY 58 HA3 GLY 58 -14.847 16.446 -13.422 86 H ALA 59 H ALA 59 -16.046 16.392 -11.059 87 HA ALA 59 HA ALA 59 -14.385 15.419 -8.894 88 HB1 ALA 59 HB1 ALA 59 -17.408 15.541 -9.209 89 HB2 ALA 59 HB2 ALA 59 -16.518 15.254 -7.698 90 HB3 ALA 59 HB3 ALA 59 -16.370 16.812 -8.526 91 H LEU 60 H LEU 60 -13.601 13.775 -10.769 92 HA LEU 60 HA LEU 60 -15.234 11.411 -11.177 93 HB2 LEU 60 HB2 LEU 60 -12.236 11.663 -11.609 94 HB3 LEU 60 HB3 LEU 60 -13.334 10.520 -12.362 95 HG LEU 60 HG LEU 60 -13.228 13.519 -12.874 96 HD11 LEU 60 HD11 LEU 60 -12.494 11.139 -14.613 97 HD12 LEU 60 HD12 LEU 60 -12.425 12.853 -15.087 98 HD13 LEU 60 HD13 LEU 60 -11.357 12.246 -13.808 99 HD21 LEU 60 HD21 LEU 60 -15.553 12.732 -13.132 100 HD22 LEU 60 HD22 LEU 60 -14.835 13.067 -14.712 101 HD23 LEU 60 HD23 LEU 60 -14.997 11.385 -14.153 102 H ALA 61 H ALA 61 -12.951 12.261 -8.679 103 HA ALA 61 HA ALA 61 -12.029 9.646 -8.002 104 HB1 ALA 61 HB1 ALA 61 -12.173 12.195 -6.334 105 HB2 ALA 61 HB2 ALA 61 -11.266 10.735 -5.906 106 HB3 ALA 61 HB3 ALA 61 -10.804 11.663 -7.339 107 H ALA 62 H ALA 62 -12.624 8.153 -6.529 108 HA ALA 62 HA ALA 62 -15.018 8.648 -4.853 109 HB1 ALA 62 HB1 ALA 62 -13.953 5.996 -5.946 110 HB2 ALA 62 HB2 ALA 62 -15.437 6.203 -4.998 111 HB3 ALA 62 HB3 ALA 62 -15.329 6.901 -6.628 112 H LEU 63 H LEU 63 -15.209 7.676 -2.822 113 HA LEU 63 HA LEU 63 -12.625 7.246 -1.390 114 HB2 LEU 63 HB2 LEU 63 -15.107 8.665 -0.352 115 HB3 LEU 63 HB3 LEU 63 -13.611 8.405 0.536 116 HG LEU 63 HG LEU 63 -13.930 10.193 -1.918 117 HD11 LEU 63 HD11 LEU 63 -13.493 10.878 1.017 118 HD12 LEU 63 HD12 LEU 63 -13.605 12.028 -0.331 119 HD13 LEU 63 HD13 LEU 63 -15.019 11.066 0.124 120 HD21 LEU 63 HD21 LEU 63 -11.652 9.312 -1.828 121 HD22 LEU 63 HD22 LEU 63 -11.658 11.006 -1.303 122 HD23 LEU 63 HD23 LEU 63 -11.532 9.710 -0.101 123 H HIS 64 H HIS 64 -12.602 5.793 0.297 124 HA HIS 64 HA HIS 64 -14.669 3.727 0.564 125 HB2 HIS 64 HB2 HIS 64 -12.233 4.512 2.177 126 HB3 HIS 64 HB3 HIS 64 -13.274 3.160 2.619 127 HD2 HIS 64 HD2 HIS 64 -10.138 3.828 0.879 128 HE1 HIS 64 HE1 HIS 64 -11.483 0.145 -0.777 129 HE2 HIS 64 HE2 HIS 64 -9.492 1.700 -0.541 130 H ALA 65 H ALA 65 -16.284 3.613 2.122 131 HA ALA 65 HA ALA 65 -16.935 6.173 3.470 132 HB1 ALA 65 HB1 ALA 65 -18.645 3.749 2.804 133 HB2 ALA 65 HB2 ALA 65 -19.221 5.314 3.418 134 HB3 ALA 65 HB3 ALA 65 -18.478 5.217 1.811 135 H GLU 66 H GLU 66 -15.846 3.020 4.444 136 HA GLU 66 HA GLU 66 -16.679 3.495 7.278 137 HB2 GLU 66 HB2 GLU 66 -17.109 0.949 5.663 138 HB3 GLU 66 HB3 GLU 66 -17.317 1.092 7.411 139 HG2 GLU 66 HG2 GLU 66 -19.068 2.841 7.038 140 HG3 GLU 66 HG3 GLU 66 -18.937 2.566 5.297 141 H GLY 67 H GLY 67 -15.577 2.189 8.864 142 HA2 GLY 67 HA2 GLY 67 -13.781 1.121 9.841 143 HA3 GLY 67 HA3 GLY 67 -13.316 0.553 8.241 144 HA PRO 68 HA PRO 68 -9.999 3.441 9.920 145 HB2 PRO 68 HB2 PRO 68 -7.884 2.007 8.802 146 HB3 PRO 68 HB3 PRO 68 -8.567 1.734 10.438 147 HG2 PRO 68 HG2 PRO 68 -9.180 0.264 7.861 148 HG3 PRO 68 HG3 PRO 68 -8.850 -0.426 9.483 149 HD2 PRO 68 HD2 PRO 68 -11.366 -0.164 8.590 150 HD3 PRO 68 HD3 PRO 68 -10.986 0.232 10.293 151 H LEU 69 H LEU 69 -10.714 2.170 6.744 152 HA LEU 69 HA LEU 69 -9.131 4.155 5.270 153 HB2 LEU 69 HB2 LEU 69 -10.606 1.623 4.754 154 HB3 LEU 69 HB3 LEU 69 -10.714 2.797 3.455 155 HG LEU 69 HG LEU 69 -8.355 2.846 3.120 156 HD11 LEU 69 HD11 LEU 69 -8.088 1.083 5.592 157 HD12 LEU 69 HD12 LEU 69 -6.785 1.422 4.433 158 HD13 LEU 69 HD13 LEU 69 -7.461 2.737 5.387 159 HD21 LEU 69 HD21 LEU 69 -9.592 0.884 2.185 160 HD22 LEU 69 HD22 LEU 69 -7.898 0.497 2.542 161 HD23 LEU 69 HD23 LEU 69 -9.186 -0.049 3.634 162 H ALA 70 H ALA 70 -12.137 4.405 6.824 163 HA ALA 70 HA ALA 70 -13.784 5.636 4.946 164 HB1 ALA 70 HB1 ALA 70 -13.467 6.311 7.896 165 HB2 ALA 70 HB2 ALA 70 -14.855 6.739 6.874 166 HB3 ALA 70 HB3 ALA 70 -14.500 5.037 7.214 167 H GLY 71 H GLY 71 -13.732 7.439 3.786 168 HA2 GLY 71 HA2 GLY 71 -13.407 9.733 3.333 169 HA3 GLY 71 HA3 GLY 71 -12.265 9.853 4.680 170 H LEU 72 H LEU 72 -11.224 7.177 3.008 171 HA LEU 72 HA LEU 72 -9.166 8.836 1.634 172 HB2 LEU 72 HB2 LEU 72 -9.058 5.965 2.567 173 HB3 LEU 72 HB3 LEU 72 -7.713 6.959 2.014 174 HG LEU 72 HG LEU 72 -9.219 7.241 4.627 175 HD11 LEU 72 HD11 LEU 72 -6.294 6.655 3.999 176 HD12 LEU 72 HD12 LEU 72 -7.074 6.651 5.597 177 HD13 LEU 72 HD13 LEU 72 -7.505 5.425 4.391 178 HD21 LEU 72 HD21 LEU 72 -8.684 9.508 3.884 179 HD22 LEU 72 HD22 LEU 72 -7.582 9.028 5.174 180 HD23 LEU 72 HD23 LEU 72 -7.018 9.021 3.489 181 HA PRO 73 HA PRO 73 -10.216 7.540 -2.486 182 HB2 PRO 73 HB2 PRO 73 -7.747 6.965 -3.615 183 HB3 PRO 73 HB3 PRO 73 -8.415 8.603 -3.383 184 HG2 PRO 73 HG2 PRO 73 -6.482 7.083 -1.615 185 HG3 PRO 73 HG3 PRO 73 -6.391 8.786 -2.138 186 HD2 PRO 73 HD2 PRO 73 -7.296 8.130 0.295 187 HD3 PRO 73 HD3 PRO 73 -8.101 9.423 -0.619 188 H VAL 74 H VAL 74 -10.791 5.753 -3.658 189 HA VAL 74 HA VAL 74 -10.313 3.155 -2.388 190 HB VAL 74 HB VAL 74 -11.936 3.794 -4.874 191 HG11 VAL 74 HG11 VAL 74 -11.875 1.340 -3.080 192 HG12 VAL 74 HG12 VAL 74 -13.048 1.649 -4.385 193 HG13 VAL 74 HG13 VAL 74 -11.343 1.414 -4.779 194 HG21 VAL 74 HG21 VAL 74 -12.838 4.940 -2.882 195 HG22 VAL 74 HG22 VAL 74 -13.882 3.600 -3.357 196 HG23 VAL 74 HG23 VAL 74 -12.781 3.409 -1.971 197 H THR 75 H THR 75 -9.359 4.728 -5.428 198 HA THR 75 HA THR 75 -7.123 2.774 -5.692 199 HB THR 75 HB THR 75 -8.825 1.927 -7.121 200 HG1 THR 75 HG1 THR 75 -7.625 1.873 -8.985 201 HG21 THR 75 HG21 THR 75 -8.889 4.742 -8.209 202 HG22 THR 75 HG22 THR 75 -9.484 3.342 -9.148 203 HG23 THR 75 HG23 THR 75 -10.212 3.745 -7.583 204 H ARG 76 H ARG 76 -5.574 3.479 -7.483 205 HA ARG 76 HA ARG 76 -4.277 5.912 -6.559 206 HB2 ARG 76 HB2 ARG 76 -3.753 4.218 -9.065 207 HB3 ARG 76 HB3 ARG 76 -2.761 5.559 -8.517 208 HG2 ARG 76 HG2 ARG 76 -1.542 3.850 -7.686 209 HG3 ARG 76 HG3 ARG 76 -2.530 4.214 -6.275 210 HD2 ARG 76 HD2 ARG 76 -3.997 2.290 -6.800 211 HD3 ARG 76 HD3 ARG 76 -3.132 2.002 -8.303 212 HE ARG 76 HE ARG 76 -2.220 1.389 -5.540 213 HH11 ARG 76 HH11 ARG 76 -1.259 1.351 -8.932 214 HH12 ARG 76 HH12 ARG 76 0.067 0.275 -8.602 215 HH21 ARG 76 HH21 ARG 76 -0.547 0.129 -5.206 216 HH22 ARG 76 HH22 ARG 76 0.454 -0.436 -6.521 217 H SER 77 H SER 77 -6.321 5.224 -9.395 218 HA SER 77 HA SER 77 -6.186 7.754 -10.652 219 HB2 SER 77 HB2 SER 77 -8.599 5.910 -10.442 220 HB3 SER 77 HB3 SER 77 -8.327 7.170 -11.664 221 HG SER 77 HG SER 77 -7.709 5.089 -12.442 222 H ASP 78 H ASP 78 -8.249 6.729 -7.876 223 HA ASP 78 HA ASP 78 -9.676 9.256 -7.721 224 HB2 ASP 78 HB2 ASP 78 -9.158 7.335 -5.430 225 HB3 ASP 78 HB3 ASP 78 -10.418 8.563 -5.538 226 H ALA 79 H ALA 79 -6.800 7.884 -6.008 227 HA ALA 79 HA ALA 79 -6.306 10.171 -4.390 228 HB1 ALA 79 HB1 ALA 79 -4.270 8.214 -5.551 229 HB2 ALA 79 HB2 ALA 79 -4.103 9.201 -4.079 230 HB3 ALA 79 HB3 ALA 79 -5.287 7.885 -4.136 231 H ARG 80 H ARG 80 -5.067 9.457 -7.662 232 HA ARG 80 HA ARG 80 -3.568 11.850 -8.153 233 HB2 ARG 80 HB2 ARG 80 -3.460 9.763 -9.430 234 HB3 ARG 80 HB3 ARG 80 -5.094 9.973 -10.033 235 HG2 ARG 80 HG2 ARG 80 -2.957 12.056 -10.580 236 HG3 ARG 80 HG3 ARG 80 -3.010 10.553 -11.497 237 HD2 ARG 80 HD2 ARG 80 -5.376 11.047 -12.144 238 HD3 ARG 80 HD3 ARG 80 -5.205 12.655 -11.395 239 HE ARG 80 HE ARG 80 -3.030 12.266 -13.187 240 HH11 ARG 80 HH11 ARG 80 -6.515 12.548 -13.546 241 HH12 ARG 80 HH12 ARG 80 -6.377 13.269 -15.121 242 HH21 ARG 80 HH21 ARG 80 -2.943 13.192 -15.207 243 HH22 ARG 80 HH22 ARG 80 -4.408 13.618 -16.030 244 H VAL 81 H VAL 81 -7.056 11.197 -8.863 245 HA VAL 81 HA VAL 81 -7.470 13.923 -9.801 246 HB VAL 81 HB VAL 81 -9.397 11.712 -9.049 247 HG11 VAL 81 HG11 VAL 81 -10.041 14.470 -10.200 248 HG12 VAL 81 HG12 VAL 81 -11.163 13.102 -10.160 249 HG13 VAL 81 HG13 VAL 81 -10.615 13.824 -8.648 250 HG21 VAL 81 HG21 VAL 81 -8.078 11.414 -11.140 251 HG22 VAL 81 HG22 VAL 81 -9.795 11.651 -11.473 252 HG23 VAL 81 HG23 VAL 81 -8.665 12.994 -11.720 253 H LEU 82 H LEU 82 -7.897 12.442 -6.531 254 HA LEU 82 HA LEU 82 -9.072 14.768 -5.336 255 HB2 LEU 82 HB2 LEU 82 -7.290 12.577 -4.209 256 HB3 LEU 82 HB3 LEU 82 -8.022 13.820 -3.207 257 HG LEU 82 HG LEU 82 -9.635 11.873 -4.891 258 HD11 LEU 82 HD11 LEU 82 -9.155 11.804 -1.891 259 HD12 LEU 82 HD12 LEU 82 -9.975 10.591 -2.914 260 HD13 LEU 82 HD13 LEU 82 -8.230 10.836 -3.051 261 HD21 LEU 82 HD21 LEU 82 -10.909 13.903 -4.373 262 HD22 LEU 82 HD22 LEU 82 -11.510 12.537 -3.427 263 HD23 LEU 82 HD23 LEU 82 -10.470 13.756 -2.655 264 H ILE 83 H ILE 83 -5.572 13.842 -5.609 265 HA ILE 83 HA ILE 83 -4.602 16.286 -4.442 266 HB ILE 83 HB ILE 83 -3.282 14.363 -6.391 267 HG12 ILE 83 HG12 ILE 83 -2.781 14.736 -3.397 268 HG13 ILE 83 HG13 ILE 83 -3.939 13.566 -4.020 269 HG21 ILE 83 HG21 ILE 83 -2.123 16.745 -4.860 270 HG22 ILE 83 HG22 ILE 83 -1.126 15.497 -5.609 271 HG23 ILE 83 HG23 ILE 83 -2.137 16.522 -6.623 272 HD11 ILE 83 HD11 ILE 83 -0.949 13.527 -4.551 273 HD12 ILE 83 HD12 ILE 83 -1.895 12.408 -3.560 274 HD13 ILE 83 HD13 ILE 83 -2.141 12.445 -5.313 275 H PHE 84 H PHE 84 -5.322 15.447 -7.867 276 HA PHE 84 HA PHE 84 -4.459 17.899 -8.995 277 HB2 PHE 84 HB2 PHE 84 -5.039 15.774 -10.194 278 HB3 PHE 84 HB3 PHE 84 -6.735 16.105 -9.901 279 HD1 PHE 84 HD2 PHE 84 -5.373 19.306 -10.647 280 HD2 PHE 84 HD1 PHE 84 -6.270 15.515 -12.510 281 HE1 PHE 84 HE2 PHE 84 -5.629 20.435 -12.751 282 HE2 PHE 84 HE1 PHE 84 -6.432 16.668 -14.702 283 HZ PHE 84 HZ PHE 84 -6.129 19.130 -14.846 284 H ASN 85 H ASN 85 -7.864 17.034 -7.960 285 HA ASN 85 HA ASN 85 -8.812 19.669 -8.483 286 HB2 ASN 85 HB2 ASN 85 -10.317 17.756 -8.350 287 HB3 ASN 85 HB3 ASN 85 -9.877 17.448 -6.669 288 HD21 ASN 85 HD22 ASN 85 -10.807 18.766 -5.002 289 HD22 ASN 85 HD21 ASN 85 -11.899 20.095 -5.362 290 H GLU 86 H GLU 86 -7.434 18.256 -5.491 291 HA GLU 86 HA GLU 86 -7.889 20.417 -3.688 292 HB2 GLU 86 HB2 GLU 86 -7.081 18.213 -3.004 293 HB3 GLU 86 HB3 GLU 86 -5.594 18.429 -3.927 294 HG2 GLU 86 HG2 GLU 86 -4.976 20.331 -2.416 295 HG3 GLU 86 HG3 GLU 86 -6.431 19.998 -1.464 296 H TRP 87 H TRP 87 -4.936 19.799 -5.735 297 HA TRP 87 HA TRP 87 -3.709 22.314 -5.433 298 HB2 TRP 87 HB2 TRP 87 -2.544 20.545 -6.554 299 HB3 TRP 87 HB3 TRP 87 -3.830 20.343 -7.735 300 HD1 TRP 87 HD1 TRP 87 -0.934 22.643 -6.882 301 HE1 TRP 87 HE1 TRP 87 -0.418 24.220 -8.855 302 HE3 TRP 87 HE3 TRP 87 -4.925 21.528 -9.918 303 HZ2 TRP 87 HZ2 TRP 87 -1.454 24.741 -11.471 304 HZ3 TRP 87 HZ3 TRP 87 -5.165 22.655 -12.106 305 HH2 TRP 87 HH2 TRP 87 -3.452 24.253 -12.890 306 H GLU 88 H GLU 88 -6.329 21.368 -7.742 307 HA GLU 88 HA GLU 88 -6.232 23.759 -9.221 308 HB2 GLU 88 HB2 GLU 88 -7.462 21.483 -9.691 309 HB3 GLU 88 HB3 GLU 88 -8.808 22.228 -8.816 310 HG2 GLU 88 HG2 GLU 88 -8.265 24.250 -10.490 311 HG3 GLU 88 HG3 GLU 88 -7.537 22.971 -11.445 312 H GLU 89 H GLU 89 -8.404 22.979 -6.447 313 HA GLU 89 HA GLU 89 -9.665 25.587 -6.432 314 HB2 GLU 89 HB2 GLU 89 -9.461 23.403 -4.320 315 HB3 GLU 89 HB3 GLU 89 -10.385 24.901 -4.118 316 HG2 GLU 89 HG2 GLU 89 -11.702 24.352 -6.172 317 HG3 GLU 89 HG3 GLU 89 -10.843 22.816 -6.300 318 H ARG 90 H ARG 90 -6.838 24.258 -4.635 319 HA ARG 90 HA ARG 90 -6.272 26.638 -3.081 320 HB2 ARG 90 HB2 ARG 90 -4.422 24.545 -4.295 321 HB3 ARG 90 HB3 ARG 90 -3.904 25.765 -3.130 322 HG2 ARG 90 HG2 ARG 90 -6.143 23.832 -2.468 323 HG3 ARG 90 HG3 ARG 90 -4.446 23.365 -2.391 324 HD2 ARG 90 HD2 ARG 90 -4.013 25.191 -0.770 325 HD3 ARG 90 HD3 ARG 90 -5.687 25.725 -0.881 326 HE ARG 90 HE ARG 90 -4.615 23.413 0.579 327 HH11 ARG 90 HH11 ARG 90 -7.615 24.816 -0.609 328 HH12 ARG 90 HH12 ARG 90 -8.583 23.878 0.492 329 HH21 ARG 90 HH21 ARG 90 -5.918 22.267 1.951 330 HH22 ARG 90 HH22 ARG 90 -7.642 22.475 1.900 331 H LYS 91 H LYS 91 -4.994 25.596 -6.195 332 HA LYS 91 HA LYS 91 -3.534 27.912 -6.927 333 HB2 LYS 91 HB2 LYS 91 -3.279 25.767 -8.003 334 HB3 LYS 91 HB3 LYS 91 -4.886 25.834 -8.700 335 HG2 LYS 91 HG2 LYS 91 -2.861 27.999 -9.347 336 HG3 LYS 91 HG3 LYS 91 -2.719 26.407 -10.067 337 HD2 LYS 91 HD2 LYS 91 -5.247 26.714 -10.739 338 HD3 LYS 91 HD3 LYS 91 -4.930 28.435 -10.499 339 HE2 LYS 91 HE2 LYS 91 -3.383 26.531 -12.327 340 HE3 LYS 91 HE3 LYS 91 -4.640 27.635 -12.865 341 HZ1 LYS 91 HZ1 LYS 91 -2.097 28.540 -11.592 342 HZ2 LYS 91 HZ2 LYS 91 -2.345 28.484 -13.198 343 HZ3 LYS 91 HZ3 LYS 91 -3.245 29.509 -12.273 344 H LYS 92 H LYS 92 -7.012 27.272 -7.580 345 HA LYS 92 HA LYS 92 -7.513 29.801 -8.891 346 HB2 LYS 92 HB2 LYS 92 -9.278 27.836 -7.386 347 HB3 LYS 92 HB3 LYS 92 -9.912 29.342 -8.058 348 HG2 LYS 92 HG2 LYS 92 -9.301 28.730 -10.309 349 HG3 LYS 92 HG3 LYS 92 -8.371 27.346 -9.761 350 HD2 LYS 92 HD2 LYS 92 -10.490 26.584 -10.682 351 HD3 LYS 92 HD3 LYS 92 -10.382 26.214 -8.968 352 HE2 LYS 92 HE2 LYS 92 -12.617 26.938 -9.411 353 HE3 LYS 92 HE3 LYS 92 -11.836 28.194 -8.455 354 HZ1 LYS 92 HZ1 LYS 92 -12.219 28.279 -11.418 355 HZ2 LYS 92 HZ2 LYS 92 -13.109 29.109 -10.335 356 HZ3 LYS 92 HZ3 LYS 92 -11.535 29.480 -10.537 357 H SER 93 H SER 93 -7.508 28.948 -5.411 358 HA SER 93 HA SER 93 -8.285 31.625 -4.582 359 HB2 SER 93 HB2 SER 93 -8.579 29.447 -3.303 360 HB3 SER 93 HB3 SER 93 -6.853 29.551 -2.901 361 HG SER 93 HG SER 93 -8.221 30.532 -1.297 362 H ASP 94 H ASP 94 -5.134 30.033 -4.990 363 HA ASP 94 HA ASP 94 -3.608 32.543 -4.692 364 HB2 ASP 94 HB2 ASP 94 -3.336 30.064 -2.962 365 HB3 ASP 94 HB3 ASP 94 -2.011 31.191 -3.215 366 HA PRO 95 HA PRO 95 -2.598 30.208 -8.350 367 HB2 PRO 95 HB2 PRO 95 -1.162 32.071 -9.781 368 HB3 PRO 95 HB3 PRO 95 -2.917 32.199 -9.453 369 HG2 PRO 95 HG2 PRO 95 -0.644 33.401 -7.814 370 HG3 PRO 95 HG3 PRO 95 -2.050 34.271 -8.544 371 HD2 PRO 95 HD2 PRO 95 -2.128 33.490 -5.991 372 HD3 PRO 95 HD3 PRO 95 -3.570 33.158 -7.008 373 H TRP 96 H TRP 96 -0.002 31.054 -6.248 374 HA TRP 96 HA TRP 96 2.257 30.363 -7.794 375 HB2 TRP 96 HB2 TRP 96 3.447 30.401 -5.740 376 HB3 TRP 96 HB3 TRP 96 2.191 31.614 -5.594 377 HD1 TRP 96 HD1 TRP 96 -0.105 30.631 -4.254 378 HE1 TRP 96 HE1 TRP 96 -0.259 29.167 -2.143 379 HE3 TRP 96 HE3 TRP 96 4.586 28.608 -4.355 380 HZ2 TRP 96 HZ2 TRP 96 1.424 27.300 -0.730 381 HZ3 TRP 96 HZ3 TRP 96 5.277 26.949 -2.634 382 HH2 TRP 96 HH2 TRP 96 3.708 26.291 -0.822 383 H LEU 97 H LEU 97 0.006 28.157 -6.186 384 HA LEU 97 HA LEU 97 1.845 26.258 -5.375 385 HB2 LEU 97 HB2 LEU 97 -0.545 26.582 -4.615 386 HB3 LEU 97 HB3 LEU 97 -1.069 25.771 -6.095 387 HG LEU 97 HG LEU 97 0.184 23.711 -5.352 388 HD11 LEU 97 HD11 LEU 97 0.505 25.271 -2.753 389 HD12 LEU 97 HD12 LEU 97 0.799 23.531 -2.956 390 HD13 LEU 97 HD13 LEU 97 1.824 24.699 -3.793 391 HD21 LEU 97 HD21 LEU 97 -2.237 24.074 -4.966 392 HD22 LEU 97 HD22 LEU 97 -1.493 23.067 -3.703 393 HD23 LEU 97 HD23 LEU 97 -1.849 24.782 -3.376 394 H ARG 98 H ARG 98 2.627 24.279 -6.179 395 HA ARG 98 HA ARG 98 2.206 23.687 -9.076 396 HB2 ARG 98 HB2 ARG 98 4.502 24.234 -8.256 397 HB3 ARG 98 HB3 ARG 98 4.468 22.772 -7.261 398 HG2 ARG 98 HG2 ARG 98 4.268 21.373 -9.280 399 HG3 ARG 98 HG3 ARG 98 4.128 22.822 -10.298 400 HD2 ARG 98 HD2 ARG 98 6.394 23.527 -9.594 401 HD3 ARG 98 HD3 ARG 98 6.549 22.049 -8.618 402 HE ARG 98 HE ARG 98 5.916 21.104 -11.137 403 HH11 ARG 98 HH11 ARG 98 8.543 23.098 -9.941 404 HH12 ARG 98 HH12 ARG 98 9.625 22.594 -11.211 405 HH21 ARG 98 HH21 ARG 98 7.345 20.510 -12.734 406 HH22 ARG 98 HH22 ARG 98 8.959 21.158 -12.744 407 H LEU 99 H LEU 99 1.654 21.661 -9.798 408 HA LEU 99 HA LEU 99 0.209 19.925 -7.882 409 HB2 LEU 99 HB2 LEU 99 -0.706 20.982 -10.078 410 HB3 LEU 99 HB3 LEU 99 0.253 19.785 -10.909 411 HG LEU 99 HG LEU 99 -2.185 19.299 -9.111 412 HD11 LEU 99 HD11 LEU 99 -1.527 18.685 -12.022 413 HD12 LEU 99 HD12 LEU 99 -3.034 18.278 -11.188 414 HD13 LEU 99 HD13 LEU 99 -2.602 19.977 -11.447 415 HD21 LEU 99 HD21 LEU 99 -0.696 17.554 -8.526 416 HD22 LEU 99 HD22 LEU 99 -1.975 16.966 -9.568 417 HD23 LEU 99 HD23 LEU 99 -0.338 17.233 -10.254 418 H ASP 100 H ASP 100 1.273 18.139 -7.084 419 HA ASP 100 HA ASP 100 3.055 16.551 -8.888 420 HB2 ASP 100 HB2 ASP 100 3.645 17.410 -6.034 421 HB3 ASP 100 HB3 ASP 100 4.477 16.097 -6.856 422 H MET 101 H MET 101 2.297 14.549 -9.095 423 HA MET 101 HA MET 101 1.258 13.020 -6.823 424 HB2 MET 101 HB2 MET 101 -0.915 12.492 -8.243 425 HB3 MET 101 HB3 MET 101 -0.799 13.832 -7.138 426 HG2 MET 101 HG2 MET 101 -1.921 14.652 -8.973 427 HG3 MET 101 HG3 MET 101 -0.310 15.320 -9.075 428 HE1 MET 101 HE1 MET 101 -1.865 15.882 -11.512 429 HE2 MET 101 HE2 MET 101 -2.183 14.584 -12.670 430 HE3 MET 101 HE3 MET 101 -3.021 14.591 -11.099 431 H SER 102 H SER 102 3.533 12.505 -7.920 432 HA SER 102 HA SER 102 3.425 10.203 -9.703 433 HB2 SER 102 HB2 SER 102 5.489 10.964 -7.594 434 HB3 SER 102 HB3 SER 102 5.693 9.760 -8.880 435 HG SER 102 HG SER 102 6.608 11.803 -9.453 436 H ASP 103 H ASP 103 3.874 7.959 -8.964 437 HA ASP 103 HA ASP 103 1.970 6.973 -7.183 438 HB2 ASP 103 HB2 ASP 103 3.055 4.854 -7.392 439 HB3 ASP 103 HB3 ASP 103 3.119 5.677 -8.939 440 H LYS 104 H LYS 104 5.370 7.771 -6.410 441 HA LYS 104 HA LYS 104 5.338 6.961 -3.665 442 HB2 LYS 104 HB2 LYS 104 6.914 9.189 -5.041 443 HB3 LYS 104 HB3 LYS 104 7.231 8.576 -3.412 444 HG2 LYS 104 HG2 LYS 104 7.653 6.309 -4.337 445 HG3 LYS 104 HG3 LYS 104 7.399 6.936 -5.979 446 HD2 LYS 104 HD2 LYS 104 9.259 8.565 -5.624 447 HD3 LYS 104 HD3 LYS 104 9.577 7.851 -4.041 448 HE2 LYS 104 HE2 LYS 104 9.692 6.355 -6.708 449 HE3 LYS 104 HE3 LYS 104 11.089 7.073 -5.907 450 HZ1 LYS 104 HZ1 LYS 104 9.430 4.869 -4.777 451 HZ2 LYS 104 HZ2 LYS 104 10.941 4.728 -5.373 452 HZ3 LYS 104 HZ3 LYS 104 10.693 5.578 -4.004 453 H ALA 105 H ALA 105 4.190 10.028 -5.141 454 HA ALA 105 HA ALA 105 3.650 11.335 -2.600 455 HB1 ALA 105 HB1 ALA 105 2.528 11.874 -5.369 456 HB2 ALA 105 HB2 ALA 105 2.445 12.949 -3.963 457 HB3 ALA 105 HB3 ALA 105 4.016 12.585 -4.700 458 H ILE 106 H ILE 106 1.747 9.292 -4.839 459 HA ILE 106 HA ILE 106 -0.693 9.550 -3.283 460 HB ILE 106 HB ILE 106 0.216 7.651 -5.456 461 HG12 ILE 106 HG12 ILE 106 -1.818 8.593 -6.567 462 HG13 ILE 106 HG13 ILE 106 -2.137 9.578 -5.135 463 HG21 ILE 106 HG21 ILE 106 -2.351 7.334 -3.828 464 HG22 ILE 106 HG22 ILE 106 -2.053 6.589 -5.418 465 HG23 ILE 106 HG23 ILE 106 -1.058 6.135 -4.045 466 HD11 ILE 106 HD11 ILE 106 0.331 9.765 -6.866 467 HD12 ILE 106 HD12 ILE 106 -1.092 10.825 -6.953 468 HD13 ILE 106 HD13 ILE 106 -0.062 10.850 -5.509 469 H PHE 107 H PHE 107 1.846 7.022 -3.244 470 HA PHE 107 HA PHE 107 0.538 5.586 -1.120 471 HB2 PHE 107 HB2 PHE 107 3.493 5.470 -1.727 472 HB3 PHE 107 HB3 PHE 107 2.486 4.260 -0.914 473 HD1 PHE 107 HD1 PHE 107 0.089 4.400 -2.877 474 HD2 PHE 107 HD2 PHE 107 4.344 3.996 -3.442 475 HE1 PHE 107 HE1 PHE 107 -0.312 3.314 -5.036 476 HE2 PHE 107 HE2 PHE 107 3.935 2.841 -5.598 477 HZ PHE 107 HZ PHE 107 1.613 2.510 -6.420 478 H ARG 108 H ARG 108 2.906 8.269 -0.983 479 HA ARG 108 HA ARG 108 3.258 8.167 1.883 480 HB2 ARG 108 HB2 ARG 108 4.813 9.252 0.272 481 HB3 ARG 108 HB3 ARG 108 3.618 10.530 -0.012 482 HG2 ARG 108 HG2 ARG 108 3.760 11.183 2.378 483 HG3 ARG 108 HG3 ARG 108 4.866 9.831 2.688 484 HD2 ARG 108 HD2 ARG 108 6.490 10.824 1.074 485 HD3 ARG 108 HD3 ARG 108 5.421 12.205 0.845 486 HE ARG 108 HE ARG 108 7.101 11.557 3.189 487 HH11 ARG 108 HH11 ARG 108 4.562 13.709 2.056 488 HH12 ARG 108 HH12 ARG 108 4.847 14.852 3.338 489 HH21 ARG 108 HH21 ARG 108 7.401 13.054 4.782 490 HH22 ARG 108 HH22 ARG 108 6.418 14.486 4.839 491 H ARG 109 H ARG 109 0.948 9.990 -0.172 492 HA ARG 109 HA ARG 109 -0.412 11.291 2.059 493 HB2 ARG 109 HB2 ARG 109 -1.177 10.685 -0.829 494 HB3 ARG 109 HB3 ARG 109 -2.288 11.471 0.277 495 HG2 ARG 109 HG2 ARG 109 0.477 12.589 -0.323 496 HG3 ARG 109 HG3 ARG 109 -0.950 12.991 -1.274 497 HD2 ARG 109 HD2 ARG 109 -0.690 13.489 1.722 498 HD3 ARG 109 HD3 ARG 109 -0.377 14.683 0.481 499 HE ARG 109 HE ARG 109 -3.024 13.485 1.187 500 HH11 ARG 109 HH11 ARG 109 -1.357 16.066 -0.547 501 HH12 ARG 109 HH12 ARG 109 -2.865 16.919 -0.842 502 HH21 ARG 109 HH21 ARG 109 -4.872 14.637 0.664 503 HH22 ARG 109 HH22 ARG 109 -4.707 16.214 -0.091 504 H TYR 110 H TYR 110 -0.979 8.275 0.295 505 HA TYR 110 HA TYR 110 -3.082 7.454 2.255 506 HB2 TYR 110 HB2 TYR 110 -3.153 7.065 -0.745 507 HB3 TYR 110 HB3 TYR 110 -4.426 6.744 0.428 508 HD1 TYR 110 HD2 TYR 110 -5.230 8.861 1.836 509 HD2 TYR 110 HD1 TYR 110 -3.161 9.057 -1.936 510 HE1 TYR 110 HE2 TYR 110 -6.166 11.140 1.440 511 HE2 TYR 110 HE1 TYR 110 -4.110 11.329 -2.345 512 HH TYR 110 HH TYR 110 -5.449 13.023 -1.523 513 HA PRO 111 HA PRO 111 0.302 4.389 2.032 514 HB2 PRO 111 HB2 PRO 111 0.049 3.222 4.506 515 HB3 PRO 111 HB3 PRO 111 0.791 4.827 4.225 516 HG2 PRO 111 HG2 PRO 111 -2.072 4.219 5.042 517 HG3 PRO 111 HG3 PRO 111 -0.927 5.377 5.799 518 HD2 PRO 111 HD2 PRO 111 -2.767 6.208 4.007 519 HD3 PRO 111 HD3 PRO 111 -1.110 6.888 3.975 520 H HIS 112 H HIS 112 -3.090 3.650 2.355 521 HA HIS 112 HA HIS 112 -2.784 0.758 2.137 522 HB2 HIS 112 HB2 HIS 112 -5.160 0.705 2.117 523 HB3 HIS 112 HB3 HIS 112 -4.623 1.829 3.357 524 HD2 HIS 112 HD2 HIS 112 -6.972 1.553 0.515 525 HE1 HIS 112 HE1 HIS 112 -6.437 5.749 0.878 526 HE2 HIS 112 HE2 HIS 112 -7.842 3.952 -0.177 527 H LEU 113 H LEU 113 -2.387 3.204 -0.207 528 HA LEU 113 HA LEU 113 -3.549 1.645 -2.408 529 HB2 LEU 113 HB2 LEU 113 -2.157 4.330 -2.221 530 HB3 LEU 113 HB3 LEU 113 -2.354 3.553 -3.776 531 HG LEU 113 HG LEU 113 -4.089 5.200 -3.424 532 HD11 LEU 113 HD11 LEU 113 -5.326 2.423 -3.317 533 HD12 LEU 113 HD12 LEU 113 -6.065 3.918 -3.889 534 HD13 LEU 113 HD13 LEU 113 -4.681 3.217 -4.776 535 HD21 LEU 113 HD21 LEU 113 -4.215 4.946 -0.931 536 HD22 LEU 113 HD22 LEU 113 -5.798 4.967 -1.754 537 HD23 LEU 113 HD23 LEU 113 -5.104 3.440 -1.190 538 H ARG 114 H ARG 114 -0.291 1.871 -1.046 539 HA ARG 114 HA ARG 114 1.148 1.033 -3.346 540 HB2 ARG 114 HB2 ARG 114 2.119 1.983 -1.242 541 HB3 ARG 114 HB3 ARG 114 1.823 0.432 -0.446 542 HG2 ARG 114 HG2 ARG 114 3.304 -0.689 -2.128 543 HG3 ARG 114 HG3 ARG 114 3.533 0.862 -2.946 544 HD2 ARG 114 HD2 ARG 114 5.466 0.443 -1.606 545 HD3 ARG 114 HD3 ARG 114 4.566 1.776 -0.860 546 HE ARG 114 HE ARG 114 3.730 -0.687 0.321 547 HH11 ARG 114 HH11 ARG 114 6.599 1.322 0.313 548 HH12 ARG 114 HH12 ARG 114 7.110 0.756 1.880 549 HH21 ARG 114 HH21 ARG 114 4.431 -1.358 2.314 550 HH22 ARG 114 HH22 ARG 114 5.909 -0.725 2.978 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -10.775 51.928 -5.931 2 H2 MET 1 H2 MET 1 -10.471 50.610 -6.845 3 H3 MET 1 H3 MET 1 -10.764 52.043 -7.563 4 HA MET 1 HA MET 1 -8.406 51.512 -7.654 5 HB2 MET 1 HB2 MET 1 -7.509 53.632 -6.762 6 HB3 MET 1 HB3 MET 1 -8.890 53.803 -7.822 7 HG2 MET 1 HG2 MET 1 -10.368 54.250 -5.895 8 HG3 MET 1 HG3 MET 1 -9.001 54.061 -4.791 9 HE1 MET 1 HE1 MET 1 -9.599 56.368 -3.678 10 HE2 MET 1 HE2 MET 1 -9.801 57.881 -4.588 11 HE3 MET 1 HE3 MET 1 -10.965 56.556 -4.803 12 H ARG 2 H ARG 2 -8.006 49.496 -6.601 13 HA ARG 2 HA ARG 2 -6.520 49.812 -4.022 14 HB2 ARG 2 HB2 ARG 2 -8.665 47.702 -4.529 15 HB3 ARG 2 HB3 ARG 2 -7.440 47.592 -3.259 16 HG2 ARG 2 HG2 ARG 2 -8.248 49.740 -2.290 17 HG3 ARG 2 HG3 ARG 2 -9.547 49.775 -3.499 18 HD2 ARG 2 HD2 ARG 2 -10.403 47.619 -2.657 19 HD3 ARG 2 HD3 ARG 2 -9.101 47.572 -1.447 20 HE ARG 2 HE ARG 2 -10.473 50.034 -1.136 21 HH11 ARG 2 HH11 ARG 2 -11.190 46.636 -0.634 22 HH12 ARG 2 HH12 ARG 2 -12.358 46.973 0.613 23 HH21 ARG 2 HH21 ARG 2 -11.975 50.392 0.461 24 HH22 ARG 2 HH22 ARG 2 -12.785 49.051 1.215 25 H GLY 3 H GLY 3 -7.255 47.494 -6.665 26 HA2 GLY 3 HA2 GLY 3 -4.524 47.144 -7.451 27 HA3 GLY 3 HA3 GLY 3 -5.001 45.834 -6.365 28 H SER 4 H SER 4 -4.399 44.689 -8.454 29 HA SER 4 HA SER 4 -6.804 44.283 -10.193 30 HB2 SER 4 HB2 SER 4 -3.895 44.309 -11.072 31 HB3 SER 4 HB3 SER 4 -5.282 43.861 -12.082 32 HG SER 4 HG SER 4 -4.648 46.069 -12.374 33 H HIS 5 H HIS 5 -7.250 42.229 -10.862 34 HA HIS 5 HA HIS 5 -5.664 39.931 -9.816 35 HB2 HIS 5 HB2 HIS 5 -8.642 40.387 -9.343 36 HB3 HIS 5 HB3 HIS 5 -7.744 38.940 -8.905 37 HD2 HIS 5 HD2 HIS 5 -5.812 39.236 -6.927 38 HE1 HIS 5 HE1 HIS 5 -7.538 42.761 -5.251 39 HE2 HIS 5 HE2 HIS 5 -5.858 40.883 -4.870 40 H HIS 6 H HIS 6 -6.404 37.844 -10.680 41 HA HIS 6 HA HIS 6 -7.650 38.016 -13.399 42 HB2 HIS 6 HB2 HIS 6 -5.241 36.366 -12.553 43 HB3 HIS 6 HB3 HIS 6 -6.079 36.225 -14.098 44 HD2 HIS 6 HD2 HIS 6 -3.510 38.361 -12.283 45 HE1 HIS 6 HE1 HIS 6 -4.056 40.205 -16.092 46 HE2 HIS 6 HE2 HIS 6 -2.634 40.183 -13.979 47 H HIS 7 H HIS 7 -8.829 36.267 -14.106 48 HA HIS 7 HA HIS 7 -9.877 34.412 -12.005 49 HB2 HIS 7 HB2 HIS 7 -12.117 35.054 -12.669 50 HB3 HIS 7 HB3 HIS 7 -11.204 36.479 -12.204 51 HD2 HIS 7 HD2 HIS 7 -13.161 35.013 -15.080 52 HE1 HIS 7 HE1 HIS 7 -11.376 38.553 -16.661 53 HE2 HIS 7 HE2 HIS 7 -13.089 36.717 -17.094 54 H HIS 8 H HIS 8 -8.107 33.950 -14.503 55 HA HIS 8 HA HIS 8 -9.865 32.413 -16.281 56 HB2 HIS 8 HB2 HIS 8 -8.032 33.823 -17.144 57 HB3 HIS 8 HB3 HIS 8 -6.853 32.770 -16.357 58 HD2 HIS 8 HD2 HIS 8 -9.283 32.924 -19.331 59 HE1 HIS 8 HE1 HIS 8 -7.074 29.302 -19.799 60 HE2 HIS 8 HE2 HIS 8 -8.742 30.883 -20.907 61 H HIS 9 H HIS 9 -10.452 30.420 -15.954 62 HA HIS 9 HA HIS 9 -8.551 28.294 -15.504 63 HB2 HIS 9 HB2 HIS 9 -9.680 27.265 -13.576 64 HB3 HIS 9 HB3 HIS 9 -9.033 28.834 -13.144 65 HD2 HIS 9 HD2 HIS 9 -12.425 27.068 -13.821 66 HE1 HIS 9 HE1 HIS 9 -13.302 30.701 -11.764 67 HE2 HIS 9 HE2 HIS 9 -14.291 28.542 -12.687 68 H HIS 10 H HIS 10 -9.576 26.154 -15.821 69 HA HIS 10 HA HIS 10 -12.252 26.232 -17.191 70 HB2 HIS 10 HB2 HIS 10 -9.853 24.509 -17.882 71 HB3 HIS 10 HB3 HIS 10 -11.488 24.235 -18.474 72 HD2 HIS 10 HD2 HIS 10 -8.383 26.148 -19.284 73 HE1 HIS 10 HE1 HIS 10 -11.408 27.866 -21.757 74 HE2 HIS 10 HE2 HIS 10 -8.901 27.713 -21.345 75 H GLY 11 H GLY 11 -10.102 23.723 -15.761 76 HA2 GLY 11 HA2 GLY 11 -10.414 22.277 -14.005 77 HA3 GLY 11 HA3 GLY 11 -11.703 23.331 -13.435 78 H SER 12 H SER 12 -12.404 21.168 -12.712 79 HA SER 12 HA SER 12 -13.845 19.434 -12.690 80 HB2 SER 12 HB2 SER 12 -15.342 21.106 -14.727 81 HB3 SER 12 HB3 SER 12 -16.029 19.832 -13.704 82 HG SER 12 HG SER 12 -16.343 21.935 -12.809 83 H GLY 58 H GLY 58 -11.681 19.091 -14.736 84 HA2 GLY 58 HA2 GLY 58 -12.878 17.604 -16.946 85 HA3 GLY 58 HA3 GLY 58 -11.168 17.881 -16.645 86 H ALA 59 H ALA 59 -12.367 16.552 -13.808 87 HA ALA 59 HA ALA 59 -11.957 13.744 -14.587 88 HB1 ALA 59 HB1 ALA 59 -10.123 15.236 -12.659 89 HB2 ALA 59 HB2 ALA 59 -10.023 13.509 -13.084 90 HB3 ALA 59 HB3 ALA 59 -9.692 14.737 -14.307 91 H LEU 60 H LEU 60 -11.979 12.287 -12.622 92 HA LEU 60 HA LEU 60 -13.976 13.100 -10.562 93 HB2 LEU 60 HB2 LEU 60 -15.295 11.124 -11.040 94 HB3 LEU 60 HB3 LEU 60 -15.126 12.119 -12.474 95 HG LEU 60 HG LEU 60 -12.918 10.395 -12.704 96 HD11 LEU 60 HD11 LEU 60 -15.295 8.760 -11.679 97 HD12 LEU 60 HD12 LEU 60 -13.795 8.115 -12.381 98 HD13 LEU 60 HD13 LEU 60 -13.746 8.967 -10.833 99 HD21 LEU 60 HD21 LEU 60 -14.473 11.069 -14.478 100 HD22 LEU 60 HD22 LEU 60 -14.259 9.305 -14.471 101 HD23 LEU 60 HD23 LEU 60 -15.741 10.029 -13.791 102 H ALA 61 H ALA 61 -14.101 11.726 -8.698 103 HA ALA 61 HA ALA 61 -12.071 9.632 -8.302 104 HB1 ALA 61 HB1 ALA 61 -12.099 12.162 -6.594 105 HB2 ALA 61 HB2 ALA 61 -11.134 10.701 -6.283 106 HB3 ALA 61 HB3 ALA 61 -10.819 11.679 -7.725 107 H ALA 62 H ALA 62 -12.506 8.222 -6.645 108 HA ALA 62 HA ALA 62 -14.959 8.655 -5.035 109 HB1 ALA 62 HB1 ALA 62 -13.767 6.026 -6.021 110 HB2 ALA 62 HB2 ALA 62 -15.268 6.206 -5.095 111 HB3 ALA 62 HB3 ALA 62 -15.167 6.857 -6.744 112 H LEU 63 H LEU 63 -15.144 7.683 -2.974 113 HA LEU 63 HA LEU 63 -12.582 7.435 -1.462 114 HB2 LEU 63 HB2 LEU 63 -15.087 8.980 -0.675 115 HB3 LEU 63 HB3 LEU 63 -13.710 8.693 0.381 116 HG LEU 63 HG LEU 63 -13.613 10.333 -2.193 117 HD11 LEU 63 HD11 LEU 63 -13.592 11.191 0.734 118 HD12 LEU 63 HD12 LEU 63 -13.428 12.258 -0.679 119 HD13 LEU 63 HD13 LEU 63 -14.948 11.396 -0.399 120 HD21 LEU 63 HD21 LEU 63 -11.419 9.373 -1.699 121 HD22 LEU 63 HD22 LEU 63 -11.418 11.090 -1.258 122 HD23 LEU 63 HD23 LEU 63 -11.556 9.856 0.006 123 H HIS 64 H HIS 64 -12.583 6.113 0.316 124 HA HIS 64 HA HIS 64 -14.668 4.082 0.724 125 HB2 HIS 64 HB2 HIS 64 -12.218 4.959 2.270 126 HB3 HIS 64 HB3 HIS 64 -13.280 3.665 2.823 127 HD2 HIS 64 HD2 HIS 64 -10.221 4.221 0.813 128 HE1 HIS 64 HE1 HIS 64 -11.557 0.329 -0.291 129 HE2 HIS 64 HE2 HIS 64 -9.597 1.946 -0.370 130 H ALA 65 H ALA 65 -16.443 4.276 2.038 131 HA ALA 65 HA ALA 65 -16.910 6.877 3.349 132 HB1 ALA 65 HB1 ALA 65 -18.758 4.521 2.802 133 HB2 ALA 65 HB2 ALA 65 -19.242 6.136 3.360 134 HB3 ALA 65 HB3 ALA 65 -18.526 5.938 1.748 135 H GLU 66 H GLU 66 -16.202 3.603 4.387 136 HA GLU 66 HA GLU 66 -16.718 4.288 7.248 137 HB2 GLU 66 HB2 GLU 66 -17.754 1.831 5.770 138 HB3 GLU 66 HB3 GLU 66 -17.782 2.047 7.521 139 HG2 GLU 66 HG2 GLU 66 -19.204 4.086 7.226 140 HG3 GLU 66 HG3 GLU 66 -19.282 3.749 5.491 141 H GLY 67 H GLY 67 -15.791 2.712 8.771 142 HA2 GLY 67 HA2 GLY 67 -14.182 1.249 9.564 143 HA3 GLY 67 HA3 GLY 67 -13.864 0.757 7.907 144 HA PRO 68 HA PRO 68 -10.126 2.826 9.880 145 HB2 PRO 68 HB2 PRO 68 -8.290 1.317 8.350 146 HB3 PRO 68 HB3 PRO 68 -8.871 0.934 10.004 147 HG2 PRO 68 HG2 PRO 68 -9.851 -0.111 7.342 148 HG3 PRO 68 HG3 PRO 68 -9.591 -1.016 8.869 149 HD2 PRO 68 HD2 PRO 68 -12.051 -0.272 8.125 150 HD3 PRO 68 HD3 PRO 68 -11.565 -0.108 9.840 151 H LEU 69 H LEU 69 -10.897 2.257 6.494 152 HA LEU 69 HA LEU 69 -8.995 4.315 5.536 153 HB2 LEU 69 HB2 LEU 69 -10.789 2.348 4.097 154 HB3 LEU 69 HB3 LEU 69 -9.615 3.419 3.319 155 HG LEU 69 HG LEU 69 -8.975 1.117 5.213 156 HD11 LEU 69 HD11 LEU 69 -8.554 1.490 2.233 157 HD12 LEU 69 HD12 LEU 69 -7.955 0.117 3.193 158 HD13 LEU 69 HD13 LEU 69 -9.699 0.384 3.007 159 HD21 LEU 69 HD21 LEU 69 -7.303 2.852 5.544 160 HD22 LEU 69 HD22 LEU 69 -6.609 1.543 4.591 161 HD23 LEU 69 HD23 LEU 69 -7.114 3.050 3.788 162 H ALA 70 H ALA 70 -12.032 4.575 6.802 163 HA ALA 70 HA ALA 70 -13.600 5.937 4.967 164 HB1 ALA 70 HB1 ALA 70 -13.257 6.550 7.931 165 HB2 ALA 70 HB2 ALA 70 -14.626 7.053 6.916 166 HB3 ALA 70 HB3 ALA 70 -14.341 5.333 7.225 167 H GLY 71 H GLY 71 -13.494 7.771 3.853 168 HA2 GLY 71 HA2 GLY 71 -13.077 10.071 3.465 169 HA3 GLY 71 HA3 GLY 71 -11.868 10.084 4.760 170 H LEU 72 H LEU 72 -11.013 7.405 3.036 171 HA LEU 72 HA LEU 72 -8.951 8.983 1.582 172 HB2 LEU 72 HB2 LEU 72 -8.939 6.105 2.509 173 HB3 LEU 72 HB3 LEU 72 -7.572 7.022 1.902 174 HG LEU 72 HG LEU 72 -8.965 7.419 4.564 175 HD11 LEU 72 HD11 LEU 72 -6.117 6.625 3.837 176 HD12 LEU 72 HD12 LEU 72 -6.816 6.729 5.470 177 HD13 LEU 72 HD13 LEU 72 -7.396 5.502 4.329 178 HD21 LEU 72 HD21 LEU 72 -8.335 9.638 3.780 179 HD22 LEU 72 HD22 LEU 72 -7.215 9.111 5.034 180 HD23 LEU 72 HD23 LEU 72 -6.714 9.056 3.330 181 HA PRO 73 HA PRO 73 -10.085 7.627 -2.566 182 HB2 PRO 73 HB2 PRO 73 -7.657 6.854 -3.618 183 HB3 PRO 73 HB3 PRO 73 -8.174 8.550 -3.443 184 HG2 PRO 73 HG2 PRO 73 -6.448 6.908 -1.564 185 HG3 PRO 73 HG3 PRO 73 -6.128 8.549 -2.186 186 HD2 PRO 73 HD2 PRO 73 -7.160 8.222 0.243 187 HD3 PRO 73 HD3 PRO 73 -7.852 9.473 -0.804 188 H VAL 74 H VAL 74 -10.768 5.832 -3.607 189 HA VAL 74 HA VAL 74 -10.254 3.226 -2.332 190 HB VAL 74 HB VAL 74 -11.948 3.842 -4.775 191 HG11 VAL 74 HG11 VAL 74 -11.810 1.396 -2.970 192 HG12 VAL 74 HG12 VAL 74 -13.010 1.676 -4.253 193 HG13 VAL 74 HG13 VAL 74 -11.311 1.474 -4.678 194 HG21 VAL 74 HG21 VAL 74 -12.838 4.987 -2.780 195 HG22 VAL 74 HG22 VAL 74 -13.859 3.616 -3.206 196 HG23 VAL 74 HG23 VAL 74 -12.720 3.476 -1.846 197 H THR 75 H THR 75 -9.323 4.930 -5.308 198 HA THR 75 HA THR 75 -7.274 2.810 -5.844 199 HB THR 75 HB THR 75 -7.742 2.835 -8.117 200 HG1 THR 75 HG1 THR 75 -9.201 4.511 -8.983 201 HG21 THR 75 HG21 THR 75 -10.506 3.429 -6.985 202 HG22 THR 75 HG22 THR 75 -10.120 2.522 -8.463 203 HG23 THR 75 HG23 THR 75 -9.689 1.856 -6.874 204 H ARG 76 H ARG 76 -5.416 3.491 -7.216 205 HA ARG 76 HA ARG 76 -4.297 5.994 -6.280 206 HB2 ARG 76 HB2 ARG 76 -2.367 5.507 -7.554 207 HB3 ARG 76 HB3 ARG 76 -2.928 4.001 -6.839 208 HG2 ARG 76 HG2 ARG 76 -3.913 3.351 -9.071 209 HG3 ARG 76 HG3 ARG 76 -3.337 4.885 -9.739 210 HD2 ARG 76 HD2 ARG 76 -1.715 3.301 -10.372 211 HD3 ARG 76 HD3 ARG 76 -0.999 4.236 -9.050 212 HE ARG 76 HE ARG 76 -2.341 1.774 -8.181 213 HH11 ARG 76 HH11 ARG 76 0.762 3.054 -9.259 214 HH12 ARG 76 HH12 ARG 76 1.572 1.533 -8.960 215 HH21 ARG 76 HH21 ARG 76 -1.178 -0.037 -7.613 216 HH22 ARG 76 HH22 ARG 76 0.523 -0.119 -7.946 217 H SER 77 H SER 77 -6.265 5.254 -9.060 218 HA SER 77 HA SER 77 -5.790 7.752 -10.474 219 HB2 SER 77 HB2 SER 77 -6.780 5.706 -11.506 220 HB3 SER 77 HB3 SER 77 -8.251 5.971 -10.547 221 HG SER 77 HG SER 77 -8.348 6.904 -12.686 222 H ASP 78 H ASP 78 -8.291 6.684 -8.047 223 HA ASP 78 HA ASP 78 -9.572 9.227 -7.816 224 HB2 ASP 78 HB2 ASP 78 -9.082 7.300 -5.518 225 HB3 ASP 78 HB3 ASP 78 -10.311 8.559 -5.616 226 H ALA 79 H ALA 79 -6.713 7.905 -6.077 227 HA ALA 79 HA ALA 79 -6.254 10.149 -4.410 228 HB1 ALA 79 HB1 ALA 79 -4.177 8.235 -5.563 229 HB2 ALA 79 HB2 ALA 79 -4.094 9.146 -4.040 230 HB3 ALA 79 HB3 ALA 79 -5.259 7.821 -4.226 231 H ARG 80 H ARG 80 -4.803 9.472 -7.649 232 HA ARG 80 HA ARG 80 -3.312 11.926 -7.913 233 HB2 ARG 80 HB2 ARG 80 -4.543 9.980 -9.918 234 HB3 ARG 80 HB3 ARG 80 -3.640 11.414 -10.430 235 HG2 ARG 80 HG2 ARG 80 -1.641 10.680 -9.310 236 HG3 ARG 80 HG3 ARG 80 -2.481 9.345 -8.522 237 HD2 ARG 80 HD2 ARG 80 -1.108 8.531 -10.367 238 HD3 ARG 80 HD3 ARG 80 -2.816 8.210 -10.630 239 HE ARG 80 HE ARG 80 -2.835 9.599 -12.477 240 HH11 ARG 80 HH11 ARG 80 0.189 10.403 -10.829 241 HH12 ARG 80 HH12 ARG 80 0.919 10.930 -12.312 242 HH21 ARG 80 HH21 ARG 80 -1.860 10.466 -14.255 243 HH22 ARG 80 HH22 ARG 80 -0.233 11.061 -14.161 244 H VAL 81 H VAL 81 -6.698 11.203 -8.848 245 HA VAL 81 HA VAL 81 -7.110 13.902 -9.816 246 HB VAL 81 HB VAL 81 -9.093 11.698 -9.190 247 HG11 VAL 81 HG11 VAL 81 -9.462 14.453 -10.460 248 HG12 VAL 81 HG12 VAL 81 -10.594 13.116 -10.697 249 HG13 VAL 81 HG13 VAL 81 -10.346 13.769 -9.077 250 HG21 VAL 81 HG21 VAL 81 -7.546 11.239 -11.100 251 HG22 VAL 81 HG22 VAL 81 -9.204 11.492 -11.643 252 HG23 VAL 81 HG23 VAL 81 -7.997 12.790 -11.830 253 H LEU 82 H LEU 82 -7.694 12.417 -6.566 254 HA LEU 82 HA LEU 82 -8.979 14.761 -5.489 255 HB2 LEU 82 HB2 LEU 82 -7.341 12.514 -4.268 256 HB3 LEU 82 HB3 LEU 82 -8.041 13.787 -3.281 257 HG LEU 82 HG LEU 82 -9.775 12.149 -5.153 258 HD11 LEU 82 HD11 LEU 82 -9.205 11.542 -2.230 259 HD12 LEU 82 HD12 LEU 82 -10.265 10.634 -3.353 260 HD13 LEU 82 HD13 LEU 82 -8.517 10.664 -3.608 261 HD21 LEU 82 HD21 LEU 82 -10.807 14.201 -4.267 262 HD22 LEU 82 HD22 LEU 82 -11.567 12.756 -3.586 263 HD23 LEU 82 HD23 LEU 82 -10.412 13.690 -2.610 264 H ILE 83 H ILE 83 -5.485 13.855 -5.665 265 HA ILE 83 HA ILE 83 -4.540 16.293 -4.454 266 HB ILE 83 HB ILE 83 -3.175 14.466 -6.467 267 HG12 ILE 83 HG12 ILE 83 -2.637 14.635 -3.475 268 HG13 ILE 83 HG13 ILE 83 -3.859 13.544 -4.108 269 HG21 ILE 83 HG21 ILE 83 -2.126 16.787 -4.773 270 HG22 ILE 83 HG22 ILE 83 -1.057 15.594 -5.505 271 HG23 ILE 83 HG23 ILE 83 -2.048 16.626 -6.541 272 HD11 ILE 83 HD11 ILE 83 -0.891 13.445 -4.747 273 HD12 ILE 83 HD12 ILE 83 -1.846 12.284 -3.813 274 HD13 ILE 83 HD13 ILE 83 -2.141 12.453 -5.547 275 H PHE 84 H PHE 84 -5.230 15.481 -7.909 276 HA PHE 84 HA PHE 84 -4.525 18.010 -8.984 277 HB2 PHE 84 HB2 PHE 84 -4.989 16.070 -10.404 278 HB3 PHE 84 HB3 PHE 84 -6.640 16.008 -9.821 279 HD1 PHE 84 HD1 PHE 84 -4.886 19.172 -10.849 280 HD2 PHE 84 HD2 PHE 84 -7.858 16.202 -11.824 281 HE1 PHE 84 HE1 PHE 84 -5.612 20.541 -12.747 282 HE2 PHE 84 HE2 PHE 84 -8.622 17.608 -13.722 283 HZ PHE 84 HZ PHE 84 -7.500 19.780 -14.197 284 H ASN 85 H ASN 85 -7.788 16.930 -7.806 285 HA ASN 85 HA ASN 85 -9.014 19.435 -8.368 286 HB2 ASN 85 HB2 ASN 85 -10.249 17.309 -8.118 287 HB3 ASN 85 HB3 ASN 85 -9.789 17.219 -6.413 288 HD21 ASN 85 HD22 ASN 85 -11.589 19.286 -8.772 289 HD22 ASN 85 HD21 ASN 85 -12.695 19.901 -7.558 290 H GLU 86 H GLU 86 -7.431 18.224 -5.372 291 HA GLU 86 HA GLU 86 -7.930 20.534 -3.756 292 HB2 GLU 86 HB2 GLU 86 -7.050 18.467 -2.795 293 HB3 GLU 86 HB3 GLU 86 -5.557 18.621 -3.745 294 HG2 GLU 86 HG2 GLU 86 -4.992 20.711 -2.585 295 HG3 GLU 86 HG3 GLU 86 -6.543 20.697 -1.744 296 H TRP 87 H TRP 87 -5.032 19.812 -5.892 297 HA TRP 87 HA TRP 87 -3.826 22.341 -5.668 298 HB2 TRP 87 HB2 TRP 87 -2.697 20.548 -6.816 299 HB3 TRP 87 HB3 TRP 87 -3.987 20.405 -8.002 300 HD1 TRP 87 HD1 TRP 87 -1.075 22.649 -7.041 301 HE1 TRP 87 HE1 TRP 87 -0.524 24.288 -8.946 302 HE3 TRP 87 HE3 TRP 87 -5.063 21.695 -10.150 303 HZ2 TRP 87 HZ2 TRP 87 -1.571 24.973 -11.524 304 HZ3 TRP 87 HZ3 TRP 87 -5.279 22.917 -12.288 305 HH2 TRP 87 HH2 TRP 87 -3.546 24.545 -12.995 306 H GLU 88 H GLU 88 -6.464 21.351 -7.898 307 HA GLU 88 HA GLU 88 -6.545 23.729 -9.392 308 HB2 GLU 88 HB2 GLU 88 -7.699 21.409 -9.767 309 HB3 GLU 88 HB3 GLU 88 -8.999 22.061 -8.765 310 HG2 GLU 88 HG2 GLU 88 -8.686 24.108 -10.521 311 HG3 GLU 88 HG3 GLU 88 -8.086 22.804 -11.527 312 H GLU 89 H GLU 89 -8.531 22.880 -6.485 313 HA GLU 89 HA GLU 89 -9.834 25.458 -6.369 314 HB2 GLU 89 HB2 GLU 89 -9.420 23.239 -4.336 315 HB3 GLU 89 HB3 GLU 89 -10.317 24.710 -3.960 316 HG2 GLU 89 HG2 GLU 89 -11.055 22.883 -6.288 317 HG3 GLU 89 HG3 GLU 89 -11.702 22.705 -4.662 318 H ARG 90 H ARG 90 -6.935 24.183 -4.678 319 HA ARG 90 HA ARG 90 -6.360 26.504 -3.081 320 HB2 ARG 90 HB2 ARG 90 -4.466 24.556 -4.442 321 HB3 ARG 90 HB3 ARG 90 -3.989 25.694 -3.185 322 HG2 ARG 90 HG2 ARG 90 -6.164 23.688 -2.586 323 HG3 ARG 90 HG3 ARG 90 -4.491 23.148 -2.749 324 HD2 ARG 90 HD2 ARG 90 -3.854 24.814 -0.962 325 HD3 ARG 90 HD3 ARG 90 -5.585 25.180 -0.770 326 HE ARG 90 HE ARG 90 -4.943 22.324 -0.587 327 HH11 ARG 90 HH11 ARG 90 -5.118 25.207 1.403 328 HH12 ARG 90 HH12 ARG 90 -5.303 24.279 2.862 329 HH21 ARG 90 HH21 ARG 90 -5.149 21.216 1.237 330 HH22 ARG 90 HH22 ARG 90 -5.319 22.042 2.775 331 H LYS 91 H LYS 91 -5.173 25.602 -6.306 332 HA LYS 91 HA LYS 91 -3.749 27.984 -6.919 333 HB2 LYS 91 HB2 LYS 91 -3.500 25.869 -8.115 334 HB3 LYS 91 HB3 LYS 91 -5.090 26.046 -8.854 335 HG2 LYS 91 HG2 LYS 91 -3.026 28.233 -9.221 336 HG3 LYS 91 HG3 LYS 91 -2.818 26.717 -10.078 337 HD2 LYS 91 HD2 LYS 91 -5.023 26.941 -11.148 338 HD3 LYS 91 HD3 LYS 91 -5.293 28.484 -10.313 339 HE2 LYS 91 HE2 LYS 91 -3.253 29.424 -11.387 340 HE3 LYS 91 HE3 LYS 91 -2.984 27.891 -12.221 341 HZ1 LYS 91 HZ1 LYS 91 -5.370 29.647 -12.618 342 HZ2 LYS 91 HZ2 LYS 91 -4.127 29.488 -13.661 343 HZ3 LYS 91 HZ3 LYS 91 -5.116 28.220 -13.389 344 H LYS 92 H LYS 92 -7.206 27.265 -7.569 345 HA LYS 92 HA LYS 92 -7.788 29.797 -8.821 346 HB2 LYS 92 HB2 LYS 92 -9.495 27.732 -7.392 347 HB3 LYS 92 HB3 LYS 92 -10.177 29.225 -8.061 348 HG2 LYS 92 HG2 LYS 92 -9.569 28.670 -10.293 349 HG3 LYS 92 HG3 LYS 92 -8.464 27.406 -9.782 350 HD2 LYS 92 HD2 LYS 92 -10.343 26.361 -10.732 351 HD3 LYS 92 HD3 LYS 92 -10.384 26.007 -9.015 352 HE2 LYS 92 HE2 LYS 92 -12.006 28.294 -10.222 353 HE3 LYS 92 HE3 LYS 92 -12.559 26.625 -10.333 354 HZ1 LYS 92 HZ1 LYS 92 -12.118 28.085 -7.781 355 HZ2 LYS 92 HZ2 LYS 92 -13.540 27.585 -8.398 356 HZ3 LYS 92 HZ3 LYS 92 -12.455 26.480 -7.873 357 H SER 93 H SER 93 -7.733 28.915 -5.339 358 HA SER 93 HA SER 93 -8.504 31.628 -4.537 359 HB2 SER 93 HB2 SER 93 -7.323 29.320 -2.962 360 HB3 SER 93 HB3 SER 93 -7.874 30.857 -2.269 361 HG SER 93 HG SER 93 -9.522 29.232 -2.201 362 H ASP 94 H ASP 94 -5.394 29.974 -4.937 363 HA ASP 94 HA ASP 94 -3.806 32.417 -4.417 364 HB2 ASP 94 HB2 ASP 94 -3.664 29.796 -2.885 365 HB3 ASP 94 HB3 ASP 94 -2.344 30.955 -2.944 366 HA PRO 95 HA PRO 95 -2.786 30.246 -8.177 367 HB2 PRO 95 HB2 PRO 95 -1.306 32.146 -9.508 368 HB3 PRO 95 HB3 PRO 95 -3.064 32.279 -9.206 369 HG2 PRO 95 HG2 PRO 95 -0.810 33.393 -7.478 370 HG3 PRO 95 HG3 PRO 95 -2.194 34.305 -8.199 371 HD2 PRO 95 HD2 PRO 95 -2.332 33.423 -5.683 372 HD3 PRO 95 HD3 PRO 95 -3.752 33.149 -6.746 373 H TRP 96 H TRP 96 -0.222 30.971 -5.997 374 HA TRP 96 HA TRP 96 2.062 30.379 -7.550 375 HB2 TRP 96 HB2 TRP 96 3.231 30.330 -5.479 376 HB3 TRP 96 HB3 TRP 96 1.965 31.529 -5.302 377 HD1 TRP 96 HD1 TRP 96 -0.327 30.518 -3.996 378 HE1 TRP 96 HE1 TRP 96 -0.493 28.967 -1.950 379 HE3 TRP 96 HE3 TRP 96 4.325 28.423 -4.220 380 HZ2 TRP 96 HZ2 TRP 96 1.169 27.014 -0.628 381 HZ3 TRP 96 HZ3 TRP 96 5.000 26.677 -2.579 382 HH2 TRP 96 HH2 TRP 96 3.435 25.970 -0.783 383 H LEU 97 H LEU 97 -0.167 28.070 -6.074 384 HA LEU 97 HA LEU 97 1.712 26.218 -5.273 385 HB2 LEU 97 HB2 LEU 97 -0.662 26.472 -4.498 386 HB3 LEU 97 HB3 LEU 97 -1.194 25.690 -5.991 387 HG LEU 97 HG LEU 97 0.064 23.621 -5.315 388 HD11 LEU 97 HD11 LEU 97 0.445 25.100 -2.676 389 HD12 LEU 97 HD12 LEU 97 0.760 23.375 -2.953 390 HD13 LEU 97 HD13 LEU 97 1.748 24.590 -3.766 391 HD21 LEU 97 HD21 LEU 97 -2.324 23.933 -4.866 392 HD22 LEU 97 HD22 LEU 97 -1.546 22.935 -3.620 393 HD23 LEU 97 HD23 LEU 97 -1.928 24.641 -3.278 394 H ARG 98 H ARG 98 2.473 24.205 -6.033 395 HA ARG 98 HA ARG 98 2.168 23.592 -8.946 396 HB2 ARG 98 HB2 ARG 98 4.274 22.711 -6.928 397 HB3 ARG 98 HB3 ARG 98 4.224 22.210 -8.613 398 HG2 ARG 98 HG2 ARG 98 4.603 25.081 -7.652 399 HG3 ARG 98 HG3 ARG 98 5.875 23.987 -8.197 400 HD2 ARG 98 HD2 ARG 98 4.751 23.829 -10.424 401 HD3 ARG 98 HD3 ARG 98 3.581 25.058 -9.889 402 HE ARG 98 HE ARG 98 6.078 26.191 -9.414 403 HH11 ARG 98 HH11 ARG 98 4.434 25.062 -12.301 404 HH12 ARG 98 HH12 ARG 98 5.311 26.149 -13.335 405 HH21 ARG 98 HH21 ARG 98 7.163 27.550 -10.795 406 HH22 ARG 98 HH22 ARG 98 6.814 27.529 -12.496 407 H LEU 99 H LEU 99 1.783 21.512 -9.676 408 HA LEU 99 HA LEU 99 0.167 19.789 -7.854 409 HB2 LEU 99 HB2 LEU 99 -0.753 20.917 -9.989 410 HB3 LEU 99 HB3 LEU 99 0.264 19.818 -10.884 411 HG LEU 99 HG LEU 99 -2.212 19.154 -9.215 412 HD11 LEU 99 HD11 LEU 99 -1.380 18.681 -12.108 413 HD12 LEU 99 HD12 LEU 99 -2.910 18.176 -11.383 414 HD13 LEU 99 HD13 LEU 99 -2.534 19.905 -11.537 415 HD21 LEU 99 HD21 LEU 99 -0.676 17.401 -8.642 416 HD22 LEU 99 HD22 LEU 99 -1.912 16.838 -9.753 417 HD23 LEU 99 HD23 LEU 99 -0.266 17.164 -10.368 418 H ASP 100 H ASP 100 1.300 18.059 -7.054 419 HA ASP 100 HA ASP 100 3.070 16.481 -8.881 420 HB2 ASP 100 HB2 ASP 100 3.698 17.392 -6.050 421 HB3 ASP 100 HB3 ASP 100 4.538 16.079 -6.868 422 H MET 101 H MET 101 2.262 14.500 -9.088 423 HA MET 101 HA MET 101 1.304 12.963 -6.781 424 HB2 MET 101 HB2 MET 101 -0.966 12.535 -7.882 425 HB3 MET 101 HB3 MET 101 -0.677 14.037 -7.059 426 HG2 MET 101 HG2 MET 101 -1.880 14.703 -8.830 427 HG3 MET 101 HG3 MET 101 -0.245 15.079 -9.349 428 HE1 MET 101 HE1 MET 101 -1.768 15.523 -11.615 429 HE2 MET 101 HE2 MET 101 -2.611 14.203 -12.463 430 HE3 MET 101 HE3 MET 101 -3.184 14.751 -10.871 431 H SER 102 H SER 102 3.494 12.368 -7.991 432 HA SER 102 HA SER 102 3.183 10.092 -9.804 433 HB2 SER 102 HB2 SER 102 5.306 11.338 -9.530 434 HB3 SER 102 HB3 SER 102 5.413 10.779 -7.849 435 HG SER 102 HG SER 102 6.612 9.485 -9.422 436 H ASP 103 H ASP 103 3.565 7.850 -9.121 437 HA ASP 103 HA ASP 103 1.699 6.858 -7.288 438 HB2 ASP 103 HB2 ASP 103 4.300 5.600 -8.254 439 HB3 ASP 103 HB3 ASP 103 2.996 4.731 -7.456 440 H LYS 104 H LYS 104 5.142 7.599 -6.681 441 HA LYS 104 HA LYS 104 5.258 6.670 -3.960 442 HB2 LYS 104 HB2 LYS 104 6.850 8.841 -5.398 443 HB3 LYS 104 HB3 LYS 104 7.226 8.211 -3.787 444 HG2 LYS 104 HG2 LYS 104 7.486 5.927 -4.731 445 HG3 LYS 104 HG3 LYS 104 7.174 6.568 -6.356 446 HD2 LYS 104 HD2 LYS 104 9.174 8.046 -6.159 447 HD3 LYS 104 HD3 LYS 104 9.443 7.453 -4.519 448 HE2 LYS 104 HE2 LYS 104 10.981 6.294 -5.895 449 HE3 LYS 104 HE3 LYS 104 9.743 5.132 -5.422 450 HZ1 LYS 104 HZ1 LYS 104 9.857 6.530 -8.057 451 HZ2 LYS 104 HZ2 LYS 104 10.304 4.985 -7.798 452 HZ3 LYS 104 HZ3 LYS 104 8.739 5.405 -7.642 453 H ALA 105 H ALA 105 4.173 9.824 -5.275 454 HA ALA 105 HA ALA 105 3.804 11.076 -2.676 455 HB1 ALA 105 HB1 ALA 105 2.568 11.732 -5.369 456 HB2 ALA 105 HB2 ALA 105 2.597 12.771 -3.933 457 HB3 ALA 105 HB3 ALA 105 4.113 12.369 -4.759 458 H ILE 106 H ILE 106 1.769 9.132 -4.857 459 HA ILE 106 HA ILE 106 -0.605 9.394 -3.216 460 HB ILE 106 HB ILE 106 0.201 7.485 -5.421 461 HG12 ILE 106 HG12 ILE 106 -1.880 8.455 -6.429 462 HG13 ILE 106 HG13 ILE 106 -2.072 9.483 -5.003 463 HG21 ILE 106 HG21 ILE 106 -2.314 7.207 -3.707 464 HG22 ILE 106 HG22 ILE 106 -2.060 6.437 -5.290 465 HG23 ILE 106 HG23 ILE 106 -1.031 5.994 -3.940 466 HD11 ILE 106 HD11 ILE 106 0.270 9.535 -6.910 467 HD12 ILE 106 HD12 ILE 106 -1.094 10.668 -6.891 468 HD13 ILE 106 HD13 ILE 106 0.043 10.652 -5.534 469 H PHE 107 H PHE 107 1.887 6.803 -3.299 470 HA PHE 107 HA PHE 107 0.674 5.393 -1.120 471 HB2 PHE 107 HB2 PHE 107 3.629 5.320 -1.730 472 HB3 PHE 107 HB3 PHE 107 2.624 4.094 -0.934 473 HD1 PHE 107 HD1 PHE 107 0.256 4.035 -2.787 474 HD2 PHE 107 HD2 PHE 107 4.497 4.068 -3.566 475 HE1 PHE 107 HE1 PHE 107 -0.137 2.882 -4.913 476 HE2 PHE 107 HE2 PHE 107 4.102 2.864 -5.700 477 HZ PHE 107 HZ PHE 107 1.788 2.267 -6.384 478 H ARG 108 H ARG 108 3.024 8.086 -1.088 479 HA ARG 108 HA ARG 108 3.549 8.042 1.735 480 HB2 ARG 108 HB2 ARG 108 4.958 9.141 0.034 481 HB3 ARG 108 HB3 ARG 108 3.709 10.367 -0.231 482 HG2 ARG 108 HG2 ARG 108 3.945 11.173 2.064 483 HG3 ARG 108 HG3 ARG 108 5.062 9.858 2.462 484 HD2 ARG 108 HD2 ARG 108 5.586 11.999 0.357 485 HD3 ARG 108 HD3 ARG 108 6.155 12.078 2.035 486 HE ARG 108 HE ARG 108 7.054 9.608 1.069 487 HH11 ARG 108 HH11 ARG 108 7.689 12.965 0.286 488 HH12 ARG 108 HH12 ARG 108 9.293 12.622 -0.300 489 HH21 ARG 108 HH21 ARG 108 9.105 9.235 0.298 490 HH22 ARG 108 HH22 ARG 108 10.071 10.557 -0.283 491 H ARG 109 H ARG 109 1.048 9.867 -0.125 492 HA ARG 109 HA ARG 109 -0.175 10.996 2.302 493 HB2 ARG 109 HB2 ARG 109 -1.091 10.674 -0.583 494 HB3 ARG 109 HB3 ARG 109 -2.191 11.192 0.696 495 HG2 ARG 109 HG2 ARG 109 -0.632 13.092 1.230 496 HG3 ARG 109 HG3 ARG 109 0.296 12.672 -0.232 497 HD2 ARG 109 HD2 ARG 109 -1.704 12.989 -1.621 498 HD3 ARG 109 HD3 ARG 109 -2.706 13.194 -0.174 499 HE ARG 109 HE ARG 109 -0.527 15.150 -0.505 500 HH11 ARG 109 HH11 ARG 109 -4.019 14.594 -0.980 501 HH12 ARG 109 HH12 ARG 109 -4.275 16.345 -1.073 502 HH21 ARG 109 HH21 ARG 109 -1.146 17.353 -0.623 503 HH22 ARG 109 HH22 ARG 109 -2.862 17.696 -0.888 504 H TYR 110 H TYR 110 -0.821 8.153 0.318 505 HA TYR 110 HA TYR 110 -2.996 7.252 2.153 506 HB2 TYR 110 HB2 TYR 110 -2.889 6.997 -0.859 507 HB3 TYR 110 HB3 TYR 110 -4.243 6.678 0.207 508 HD1 TYR 110 HD1 TYR 110 -4.994 8.817 1.691 509 HD2 TYR 110 HD2 TYR 110 -2.862 8.982 -2.044 510 HE1 TYR 110 HE1 TYR 110 -5.852 11.124 1.307 511 HE2 TYR 110 HE2 TYR 110 -3.743 11.290 -2.444 512 HH TYR 110 HH TYR 110 -5.907 12.939 -0.118 513 HA PRO 111 HA PRO 111 0.428 4.176 1.850 514 HB2 PRO 111 HB2 PRO 111 0.289 3.077 4.368 515 HB3 PRO 111 HB3 PRO 111 1.058 4.650 4.001 516 HG2 PRO 111 HG2 PRO 111 -1.771 4.149 4.993 517 HG3 PRO 111 HG3 PRO 111 -0.551 5.287 5.658 518 HD2 PRO 111 HD2 PRO 111 -2.460 6.141 3.955 519 HD3 PRO 111 HD3 PRO 111 -0.784 6.754 3.805 520 H HIS 112 H HIS 112 -2.956 3.560 2.335 521 HA HIS 112 HA HIS 112 -2.813 0.662 2.217 522 HB2 HIS 112 HB2 HIS 112 -5.173 0.739 2.138 523 HB3 HIS 112 HB3 HIS 112 -4.593 1.881 3.342 524 HD2 HIS 112 HD2 HIS 112 -6.916 1.611 0.490 525 HE1 HIS 112 HE1 HIS 112 -6.261 5.796 0.800 526 HE2 HIS 112 HE2 HIS 112 -7.735 4.028 -0.211 527 H LEU 113 H LEU 113 -2.367 3.054 -0.243 528 HA LEU 113 HA LEU 113 -3.455 1.375 -2.389 529 HB2 LEU 113 HB2 LEU 113 -2.028 4.051 -2.362 530 HB3 LEU 113 HB3 LEU 113 -2.282 3.172 -3.856 531 HG LEU 113 HG LEU 113 -3.975 4.881 -3.610 532 HD11 LEU 113 HD11 LEU 113 -5.284 2.165 -3.158 533 HD12 LEU 113 HD12 LEU 113 -6.013 3.600 -3.857 534 HD13 LEU 113 HD13 LEU 113 -4.686 2.769 -4.725 535 HD21 LEU 113 HD21 LEU 113 -3.999 4.907 -1.126 536 HD22 LEU 113 HD22 LEU 113 -5.615 4.884 -1.880 537 HD23 LEU 113 HD23 LEU 113 -4.939 3.410 -1.169 538 H ARG 114 H ARG 114 -0.227 1.775 -0.972 539 HA ARG 114 HA ARG 114 1.276 0.645 -3.106 540 HB2 ARG 114 HB2 ARG 114 1.970 1.851 -0.843 541 HB3 ARG 114 HB3 ARG 114 2.036 0.214 -0.216 542 HG2 ARG 114 HG2 ARG 114 3.635 1.382 -2.534 543 HG3 ARG 114 HG3 ARG 114 4.233 0.969 -0.926 544 HD2 ARG 114 HD2 ARG 114 3.682 -1.446 -1.422 545 HD3 ARG 114 HD3 ARG 114 3.268 -0.935 -3.075 546 HE ARG 114 HE ARG 114 5.923 -0.082 -2.295 547 HH11 ARG 114 HH11 ARG 114 4.165 -2.826 -3.572 548 HH12 ARG 114 HH12 ARG 114 5.580 -3.499 -4.340 549 HH21 ARG 114 HH21 ARG 114 7.690 -0.985 -3.304 550 HH22 ARG 114 HH22 ARG 114 7.524 -2.475 -4.185 Start of MODEL 19 1 H1 MET 1 H1 MET 1 10.752 17.708 -27.872 2 H2 MET 1 H2 MET 1 12.172 18.464 -28.177 3 H3 MET 1 H3 MET 1 11.011 18.418 -29.326 4 HA MET 1 HA MET 1 11.094 20.607 -28.327 5 HB2 MET 1 HB2 MET 1 8.937 19.648 -29.176 6 HB3 MET 1 HB3 MET 1 8.530 19.131 -27.548 7 HG2 MET 1 HG2 MET 1 9.087 22.018 -28.357 8 HG3 MET 1 HG3 MET 1 7.495 21.288 -28.414 9 HE1 MET 1 HE1 MET 1 7.112 19.629 -25.739 10 HE2 MET 1 HE2 MET 1 6.426 20.903 -24.711 11 HE3 MET 1 HE3 MET 1 5.944 20.790 -26.416 12 H ARG 2 H ARG 2 11.638 21.803 -26.567 13 HA ARG 2 HA ARG 2 11.189 20.774 -23.804 14 HB2 ARG 2 HB2 ARG 2 13.434 19.981 -24.604 15 HB3 ARG 2 HB3 ARG 2 13.928 21.660 -24.813 16 HG2 ARG 2 HG2 ARG 2 13.497 22.047 -22.361 17 HG3 ARG 2 HG3 ARG 2 13.055 20.347 -22.185 18 HD2 ARG 2 HD2 ARG 2 15.756 21.367 -23.159 19 HD3 ARG 2 HD3 ARG 2 15.397 20.905 -21.486 20 HE ARG 2 HE ARG 2 14.673 18.677 -22.993 21 HH11 ARG 2 HH11 ARG 2 17.680 20.400 -22.450 22 HH12 ARG 2 HH12 ARG 2 18.652 18.981 -22.726 23 HH21 ARG 2 HH21 ARG 2 15.974 16.904 -23.344 24 HH22 ARG 2 HH22 ARG 2 17.702 17.052 -23.213 25 H GLY 3 H GLY 3 9.545 22.393 -23.918 26 HA2 GLY 3 HA2 GLY 3 10.174 25.236 -24.048 27 HA3 GLY 3 HA3 GLY 3 8.660 24.513 -23.519 28 H SER 4 H SER 4 9.907 26.753 -22.286 29 HA SER 4 HA SER 4 11.300 25.990 -19.860 30 HB2 SER 4 HB2 SER 4 11.471 28.208 -20.974 31 HB3 SER 4 HB3 SER 4 9.798 28.558 -20.495 32 HG SER 4 HG SER 4 11.380 29.405 -19.013 33 H HIS 5 H HIS 5 7.891 26.632 -20.629 34 HA HIS 5 HA HIS 5 7.005 25.071 -18.308 35 HB2 HIS 5 HB2 HIS 5 7.127 27.356 -17.369 36 HB3 HIS 5 HB3 HIS 5 6.150 27.974 -18.701 37 HD2 HIS 5 HD2 HIS 5 5.853 25.591 -15.634 38 HE1 HIS 5 HE1 HIS 5 1.883 26.692 -16.740 39 HE2 HIS 5 HE2 HIS 5 3.291 25.434 -15.031 40 H HIS 6 H HIS 6 4.883 24.257 -18.545 41 HA HIS 6 HA HIS 6 3.215 25.082 -20.799 42 HB2 HIS 6 HB2 HIS 6 4.664 23.351 -21.830 43 HB3 HIS 6 HB3 HIS 6 4.205 22.207 -20.569 44 HD2 HIS 6 HD2 HIS 6 2.456 24.331 -23.358 45 HE1 HIS 6 HE1 HIS 6 0.204 20.740 -22.883 46 HE2 HIS 6 HE2 HIS 6 0.413 22.901 -24.210 47 H HIS 7 H HIS 7 1.048 24.748 -20.423 48 HA HIS 7 HA HIS 7 0.188 23.696 -17.786 49 HB2 HIS 7 HB2 HIS 7 -1.263 25.124 -20.033 50 HB3 HIS 7 HB3 HIS 7 -2.085 24.402 -18.656 51 HD2 HIS 7 HD2 HIS 7 -0.341 27.557 -19.666 52 HE1 HIS 7 HE1 HIS 7 -0.769 27.828 -15.428 53 HE2 HIS 7 HE2 HIS 7 -0.183 29.117 -17.547 54 H HIS 8 H HIS 8 0.870 21.544 -18.101 55 HA HIS 8 HA HIS 8 -0.014 19.920 -20.290 56 HB2 HIS 8 HB2 HIS 8 2.056 19.616 -18.918 57 HB3 HIS 8 HB3 HIS 8 1.051 19.072 -17.572 58 HD2 HIS 8 HD2 HIS 8 1.756 18.082 -21.293 59 HE1 HIS 8 HE1 HIS 8 0.968 14.482 -19.137 60 HE2 HIS 8 HE2 HIS 8 1.626 15.447 -21.402 61 H HIS 9 H HIS 9 -1.593 20.720 -17.310 62 HA HIS 9 HA HIS 9 -3.445 18.506 -17.155 63 HB2 HIS 9 HB2 HIS 9 -4.686 19.964 -15.610 64 HB3 HIS 9 HB3 HIS 9 -2.978 19.870 -15.200 65 HD2 HIS 9 HD2 HIS 9 -1.493 22.113 -15.451 66 HE1 HIS 9 HE1 HIS 9 -4.663 24.788 -16.444 67 HE2 HIS 9 HE2 HIS 9 -2.190 24.624 -15.873 68 H HIS 10 H HIS 10 -5.640 18.414 -17.736 69 HA HIS 10 HA HIS 10 -6.845 20.493 -19.416 70 HB2 HIS 10 HB2 HIS 10 -5.502 19.171 -21.043 71 HB3 HIS 10 HB3 HIS 10 -6.336 17.703 -20.534 72 HD2 HIS 10 HD2 HIS 10 -7.017 21.091 -22.317 73 HE1 HIS 10 HE1 HIS 10 -10.220 18.474 -23.369 74 HE2 HIS 10 HE2 HIS 10 -9.184 20.764 -23.785 75 H GLY 11 H GLY 11 -9.025 20.530 -19.227 76 HA2 GLY 11 HA2 GLY 11 -11.156 20.027 -18.519 77 HA3 GLY 11 HA3 GLY 11 -10.729 18.319 -18.533 78 H SER 12 H SER 12 -12.408 18.872 -16.651 79 HA SER 12 HA SER 12 -10.983 18.199 -14.233 80 HB2 SER 12 HB2 SER 12 -10.906 20.738 -14.200 81 HB3 SER 12 HB3 SER 12 -12.673 20.733 -14.099 82 HG SER 12 HG SER 12 -11.306 20.815 -12.118 83 H GLY 58 H GLY 58 -12.434 17.494 -12.509 84 HA2 GLY 58 HA2 GLY 58 -15.233 17.515 -12.576 85 HA3 GLY 58 HA3 GLY 58 -14.756 16.028 -13.396 86 H ALA 59 H ALA 59 -16.258 16.169 -11.005 87 HA ALA 59 HA ALA 59 -14.518 15.515 -8.752 88 HB1 ALA 59 HB1 ALA 59 -17.545 15.723 -8.956 89 HB2 ALA 59 HB2 ALA 59 -16.590 15.626 -7.460 90 HB3 ALA 59 HB3 ALA 59 -16.434 17.040 -8.515 91 H LEU 60 H LEU 60 -14.365 13.616 -10.904 92 HA LEU 60 HA LEU 60 -16.119 11.389 -10.437 93 HB2 LEU 60 HB2 LEU 60 -14.986 10.312 -12.228 94 HB3 LEU 60 HB3 LEU 60 -15.411 11.974 -12.585 95 HG LEU 60 HG LEU 60 -12.954 12.591 -12.146 96 HD11 LEU 60 HD11 LEU 60 -12.655 9.555 -12.324 97 HD12 LEU 60 HD12 LEU 60 -11.338 10.709 -12.599 98 HD13 LEU 60 HD13 LEU 60 -12.082 10.605 -11.009 99 HD21 LEU 60 HD21 LEU 60 -14.011 12.424 -14.355 100 HD22 LEU 60 HD22 LEU 60 -12.333 11.853 -14.417 101 HD23 LEU 60 HD23 LEU 60 -13.678 10.680 -14.397 102 H ALA 61 H ALA 61 -13.274 12.202 -8.783 103 HA ALA 61 HA ALA 61 -12.205 9.580 -8.282 104 HB1 ALA 61 HB1 ALA 61 -11.949 12.147 -6.656 105 HB2 ALA 61 HB2 ALA 61 -10.947 10.689 -6.493 106 HB3 ALA 61 HB3 ALA 61 -10.887 11.635 -7.989 107 H ALA 62 H ALA 62 -12.663 8.057 -6.802 108 HA ALA 62 HA ALA 62 -14.955 8.517 -5.006 109 HB1 ALA 62 HB1 ALA 62 -13.762 5.916 -6.048 110 HB2 ALA 62 HB2 ALA 62 -15.253 6.069 -5.101 111 HB3 ALA 62 HB3 ALA 62 -15.172 6.753 -6.735 112 H LEU 63 H LEU 63 -15.141 7.614 -2.953 113 HA LEU 63 HA LEU 63 -12.575 7.311 -1.458 114 HB2 LEU 63 HB2 LEU 63 -15.092 8.775 -0.572 115 HB3 LEU 63 HB3 LEU 63 -13.653 8.526 0.408 116 HG LEU 63 HG LEU 63 -13.778 10.216 -2.130 117 HD11 LEU 63 HD11 LEU 63 -13.552 11.014 0.803 118 HD12 LEU 63 HD12 LEU 63 -13.539 12.112 -0.594 119 HD13 LEU 63 HD13 LEU 63 -15.001 11.191 -0.213 120 HD21 LEU 63 HD21 LEU 63 -11.525 9.313 -1.831 121 HD22 LEU 63 HD22 LEU 63 -11.544 11.023 -1.368 122 HD23 LEU 63 HD23 LEU 63 -11.537 9.772 -0.115 123 H HIS 64 H HIS 64 -12.543 5.929 0.261 124 HA HIS 64 HA HIS 64 -14.620 3.880 0.641 125 HB2 HIS 64 HB2 HIS 64 -12.133 4.698 2.157 126 HB3 HIS 64 HB3 HIS 64 -13.185 3.387 2.690 127 HD2 HIS 64 HD2 HIS 64 -10.077 3.899 0.881 128 HE1 HIS 64 HE1 HIS 64 -11.532 0.183 -0.604 129 HE2 HIS 64 HE2 HIS 64 -9.503 1.701 -0.463 130 H ALA 65 H ALA 65 -16.199 3.856 2.238 131 HA ALA 65 HA ALA 65 -16.749 6.475 3.538 132 HB1 ALA 65 HB1 ALA 65 -18.586 4.159 2.822 133 HB2 ALA 65 HB2 ALA 65 -19.079 5.754 3.430 134 HB3 ALA 65 HB3 ALA 65 -18.309 5.617 1.839 135 H GLU 66 H GLU 66 -15.741 3.338 4.542 136 HA GLU 66 HA GLU 66 -16.685 3.804 7.342 137 HB2 GLU 66 HB2 GLU 66 -16.997 1.241 5.725 138 HB3 GLU 66 HB3 GLU 66 -17.270 1.387 7.464 139 HG2 GLU 66 HG2 GLU 66 -19.048 3.093 7.020 140 HG3 GLU 66 HG3 GLU 66 -18.848 2.819 5.287 141 H GLY 67 H GLY 67 -15.585 2.596 8.979 142 HA2 GLY 67 HA2 GLY 67 -13.792 1.606 10.039 143 HA3 GLY 67 HA3 GLY 67 -13.318 0.944 8.479 144 HA PRO 68 HA PRO 68 -9.980 3.892 9.996 145 HB2 PRO 68 HB2 PRO 68 -7.885 2.396 8.912 146 HB3 PRO 68 HB3 PRO 68 -8.544 2.208 10.571 147 HG2 PRO 68 HG2 PRO 68 -9.203 0.616 8.077 148 HG3 PRO 68 HG3 PRO 68 -8.857 0.005 9.728 149 HD2 PRO 68 HD2 PRO 68 -11.379 0.239 8.849 150 HD3 PRO 68 HD3 PRO 68 -10.980 0.716 10.527 151 H LEU 69 H LEU 69 -10.731 2.492 6.885 152 HA LEU 69 HA LEU 69 -9.137 4.381 5.306 153 HB2 LEU 69 HB2 LEU 69 -10.680 1.866 4.922 154 HB3 LEU 69 HB3 LEU 69 -10.773 2.984 3.574 155 HG LEU 69 HG LEU 69 -8.415 2.966 3.223 156 HD11 LEU 69 HD11 LEU 69 -8.181 1.276 5.748 157 HD12 LEU 69 HD12 LEU 69 -6.875 1.542 4.574 158 HD13 LEU 69 HD13 LEU 69 -7.509 2.905 5.489 159 HD21 LEU 69 HD21 LEU 69 -9.710 1.014 2.357 160 HD22 LEU 69 HD22 LEU 69 -8.026 0.587 2.721 161 HD23 LEU 69 HD23 LEU 69 -9.325 0.115 3.835 162 H ALA 70 H ALA 70 -12.139 4.738 6.871 163 HA ALA 70 HA ALA 70 -13.753 5.959 4.949 164 HB1 ALA 70 HB1 ALA 70 -13.439 6.690 7.887 165 HB2 ALA 70 HB2 ALA 70 -14.811 7.128 6.848 166 HB3 ALA 70 HB3 ALA 70 -14.494 5.425 7.226 167 H GLY 71 H GLY 71 -13.612 7.716 3.726 168 HA2 GLY 71 HA2 GLY 71 -13.234 10.004 3.238 169 HA3 GLY 71 HA3 GLY 71 -12.087 10.114 4.585 170 H LEU 72 H LEU 72 -11.130 7.374 2.969 171 HA LEU 72 HA LEU 72 -9.021 8.939 1.560 172 HB2 LEU 72 HB2 LEU 72 -9.036 6.077 2.538 173 HB3 LEU 72 HB3 LEU 72 -7.651 6.981 1.938 174 HG LEU 72 HG LEU 72 -9.088 7.373 4.573 175 HD11 LEU 72 HD11 LEU 72 -6.191 6.707 3.898 176 HD12 LEU 72 HD12 LEU 72 -6.933 6.763 5.512 177 HD13 LEU 72 HD13 LEU 72 -7.422 5.518 4.350 178 HD21 LEU 72 HD21 LEU 72 -8.523 9.617 3.794 179 HD22 LEU 72 HD22 LEU 72 -7.395 9.128 5.059 180 HD23 LEU 72 HD23 LEU 72 -6.878 9.089 3.359 181 HA PRO 73 HA PRO 73 -10.101 7.576 -2.582 182 HB2 PRO 73 HB2 PRO 73 -7.670 6.880 -3.652 183 HB3 PRO 73 HB3 PRO 73 -8.193 8.567 -3.418 184 HG2 PRO 73 HG2 PRO 73 -6.500 6.851 -1.558 185 HG3 PRO 73 HG3 PRO 73 -6.126 8.488 -2.155 186 HD2 PRO 73 HD2 PRO 73 -7.207 8.175 0.253 187 HD3 PRO 73 HD3 PRO 73 -7.887 9.433 -0.801 188 H VAL 74 H VAL 74 -10.782 5.782 -3.606 189 HA VAL 74 HA VAL 74 -10.229 3.176 -2.366 190 HB VAL 74 HB VAL 74 -11.868 3.764 -4.854 191 HG11 VAL 74 HG11 VAL 74 -11.739 1.332 -3.031 192 HG12 VAL 74 HG12 VAL 74 -12.914 1.582 -4.342 193 HG13 VAL 74 HG13 VAL 74 -11.202 1.408 -4.726 194 HG21 VAL 74 HG21 VAL 74 -12.836 4.915 -2.904 195 HG22 VAL 74 HG22 VAL 74 -13.822 3.522 -3.344 196 HG23 VAL 74 HG23 VAL 74 -12.725 3.417 -1.950 197 H THR 75 H THR 75 -9.266 4.902 -5.322 198 HA THR 75 HA THR 75 -7.214 2.785 -5.853 199 HB THR 75 HB THR 75 -7.663 2.839 -8.134 200 HG1 THR 75 HG1 THR 75 -9.148 4.492 -8.981 201 HG21 THR 75 HG21 THR 75 -10.434 3.349 -6.978 202 HG22 THR 75 HG22 THR 75 -10.038 2.473 -8.473 203 HG23 THR 75 HG23 THR 75 -9.577 1.797 -6.897 204 H ARG 76 H ARG 76 -5.372 3.432 -7.212 205 HA ARG 76 HA ARG 76 -4.100 5.857 -6.367 206 HB2 ARG 76 HB2 ARG 76 -2.346 5.321 -7.950 207 HB3 ARG 76 HB3 ARG 76 -2.886 3.866 -7.137 208 HG2 ARG 76 HG2 ARG 76 -2.735 3.046 -9.269 209 HG3 ARG 76 HG3 ARG 76 -4.413 3.550 -9.290 210 HD2 ARG 76 HD2 ARG 76 -3.707 4.431 -11.284 211 HD3 ARG 76 HD3 ARG 76 -3.406 5.826 -10.269 212 HE ARG 76 HE ARG 76 -1.006 5.180 -10.151 213 HH11 ARG 76 HH11 ARG 76 -2.794 3.606 -12.754 214 HH12 ARG 76 HH12 ARG 76 -1.344 3.362 -13.686 215 HH21 ARG 76 HH21 ARG 76 0.722 4.912 -11.387 216 HH22 ARG 76 HH22 ARG 76 0.612 4.074 -12.924 217 H SER 77 H SER 77 -6.216 5.244 -9.121 218 HA SER 77 HA SER 77 -5.754 7.789 -10.423 219 HB2 SER 77 HB2 SER 77 -8.146 5.923 -10.625 220 HB3 SER 77 HB3 SER 77 -7.711 7.229 -11.748 221 HG SER 77 HG SER 77 -6.958 5.167 -12.485 222 H ASP 78 H ASP 78 -8.200 6.647 -7.999 223 HA ASP 78 HA ASP 78 -9.577 9.164 -7.823 224 HB2 ASP 78 HB2 ASP 78 -9.085 7.213 -5.545 225 HB3 ASP 78 HB3 ASP 78 -10.310 8.482 -5.609 226 H ALA 79 H ALA 79 -6.712 7.907 -6.030 227 HA ALA 79 HA ALA 79 -6.295 10.205 -4.413 228 HB1 ALA 79 HB1 ALA 79 -4.194 8.299 -5.532 229 HB2 ALA 79 HB2 ALA 79 -4.106 9.256 -4.034 230 HB3 ALA 79 HB3 ALA 79 -5.249 7.906 -4.175 231 H ARG 80 H ARG 80 -4.855 9.446 -7.621 232 HA ARG 80 HA ARG 80 -3.367 11.846 -8.035 233 HB2 ARG 80 HB2 ARG 80 -3.325 9.663 -9.339 234 HB3 ARG 80 HB3 ARG 80 -4.834 10.154 -10.118 235 HG2 ARG 80 HG2 ARG 80 -3.640 12.199 -10.991 236 HG3 ARG 80 HG3 ARG 80 -2.152 11.592 -10.228 237 HD2 ARG 80 HD2 ARG 80 -2.301 9.535 -11.623 238 HD3 ARG 80 HD3 ARG 80 -3.766 10.182 -12.385 239 HE ARG 80 HE ARG 80 -1.215 11.743 -12.486 240 HH11 ARG 80 HH11 ARG 80 -3.511 9.835 -14.338 241 HH12 ARG 80 HH12 ARG 80 -2.900 10.417 -15.859 242 HH21 ARG 80 HH21 ARG 80 -0.504 12.457 -14.467 243 HH22 ARG 80 HH22 ARG 80 -1.233 11.849 -15.922 244 H VAL 81 H VAL 81 -6.797 11.181 -8.859 245 HA VAL 81 HA VAL 81 -7.185 13.877 -9.899 246 HB VAL 81 HB VAL 81 -9.116 11.624 -9.313 247 HG11 VAL 81 HG11 VAL 81 -9.662 14.301 -10.688 248 HG12 VAL 81 HG12 VAL 81 -10.762 12.908 -10.684 249 HG13 VAL 81 HG13 VAL 81 -10.398 13.742 -9.173 250 HG21 VAL 81 HG21 VAL 81 -7.527 11.272 -11.204 251 HG22 VAL 81 HG22 VAL 81 -9.186 11.453 -11.769 252 HG23 VAL 81 HG23 VAL 81 -8.050 12.809 -11.919 253 H LEU 82 H LEU 82 -7.827 12.407 -6.646 254 HA LEU 82 HA LEU 82 -9.091 14.758 -5.574 255 HB2 LEU 82 HB2 LEU 82 -7.377 12.575 -4.335 256 HB3 LEU 82 HB3 LEU 82 -8.114 13.844 -3.370 257 HG LEU 82 HG LEU 82 -9.788 12.053 -5.161 258 HD11 LEU 82 HD11 LEU 82 -9.227 11.637 -2.203 259 HD12 LEU 82 HD12 LEU 82 -10.192 10.605 -3.302 260 HD13 LEU 82 HD13 LEU 82 -8.444 10.732 -3.510 261 HD21 LEU 82 HD21 LEU 82 -10.920 14.095 -4.397 262 HD22 LEU 82 HD22 LEU 82 -11.606 12.660 -3.623 263 HD23 LEU 82 HD23 LEU 82 -10.495 13.708 -2.714 264 H ILE 83 H ILE 83 -5.590 13.865 -5.770 265 HA ILE 83 HA ILE 83 -4.629 16.321 -4.627 266 HB ILE 83 HB ILE 83 -3.308 14.418 -6.598 267 HG12 ILE 83 HG12 ILE 83 -2.732 14.753 -3.629 268 HG13 ILE 83 HG13 ILE 83 -3.964 13.634 -4.183 269 HG21 ILE 83 HG21 ILE 83 -2.179 16.796 -5.038 270 HG22 ILE 83 HG22 ILE 83 -1.159 15.555 -5.763 271 HG23 ILE 83 HG23 ILE 83 -2.162 16.570 -6.800 272 HD11 ILE 83 HD11 ILE 83 -1.003 13.480 -4.835 273 HD12 ILE 83 HD12 ILE 83 -1.965 12.380 -3.836 274 HD13 ILE 83 HD13 ILE 83 -2.262 12.460 -5.580 275 H PHE 84 H PHE 84 -5.364 15.476 -8.065 276 HA PHE 84 HA PHE 84 -4.595 17.988 -9.138 277 HB2 PHE 84 HB2 PHE 84 -5.092 16.047 -10.555 278 HB3 PHE 84 HB3 PHE 84 -6.764 16.059 -10.020 279 HD1 PHE 84 HD1 PHE 84 -4.658 19.004 -11.080 280 HD2 PHE 84 HD2 PHE 84 -8.075 16.514 -11.907 281 HE1 PHE 84 HE1 PHE 84 -5.223 20.441 -12.998 282 HE2 PHE 84 HE2 PHE 84 -8.657 17.979 -13.827 283 HZ PHE 84 HZ PHE 84 -7.226 19.937 -14.382 284 H ASN 85 H ASN 85 -7.878 16.980 -7.953 285 HA ASN 85 HA ASN 85 -9.056 19.517 -8.476 286 HB2 ASN 85 HB2 ASN 85 -10.394 17.494 -8.158 287 HB3 ASN 85 HB3 ASN 85 -9.828 17.329 -6.491 288 HD21 ASN 85 HD22 ASN 85 -10.737 18.718 -4.855 289 HD22 ASN 85 HD21 ASN 85 -11.926 19.952 -5.241 290 H GLU 86 H GLU 86 -7.440 18.252 -5.539 291 HA GLU 86 HA GLU 86 -7.825 20.443 -3.772 292 HB2 GLU 86 HB2 GLU 86 -6.939 18.249 -3.124 293 HB3 GLU 86 HB3 GLU 86 -5.501 18.505 -4.106 294 HG2 GLU 86 HG2 GLU 86 -4.881 20.432 -2.625 295 HG3 GLU 86 HG3 GLU 86 -6.273 20.046 -1.606 296 H TRP 87 H TRP 87 -4.946 19.846 -5.949 297 HA TRP 87 HA TRP 87 -3.787 22.384 -5.762 298 HB2 TRP 87 HB2 TRP 87 -2.678 20.578 -6.921 299 HB3 TRP 87 HB3 TRP 87 -3.990 20.440 -8.090 300 HD1 TRP 87 HD1 TRP 87 -1.163 22.814 -7.095 301 HE1 TRP 87 HE1 TRP 87 -0.626 24.427 -8.980 302 HE3 TRP 87 HE3 TRP 87 -4.972 21.575 -10.298 303 HZ2 TRP 87 HZ2 TRP 87 -1.632 25.025 -11.631 304 HZ3 TRP 87 HZ3 TRP 87 -5.215 22.779 -12.451 305 HH2 TRP 87 HH2 TRP 87 -3.564 24.501 -13.124 306 H GLU 88 H GLU 88 -6.428 21.393 -8.063 307 HA GLU 88 HA GLU 88 -6.402 23.801 -9.487 308 HB2 GLU 88 HB2 GLU 88 -7.479 21.575 -10.097 309 HB3 GLU 88 HB3 GLU 88 -8.823 22.015 -9.046 310 HG2 GLU 88 HG2 GLU 88 -8.328 24.255 -10.764 311 HG3 GLU 88 HG3 GLU 88 -8.185 22.833 -11.771 312 H GLU 89 H GLU 89 -8.565 22.942 -6.718 313 HA GLU 89 HA GLU 89 -9.881 25.515 -6.663 314 HB2 GLU 89 HB2 GLU 89 -9.563 23.353 -4.538 315 HB3 GLU 89 HB3 GLU 89 -10.526 24.821 -4.331 316 HG2 GLU 89 HG2 GLU 89 -11.862 24.196 -6.362 317 HG3 GLU 89 HG3 GLU 89 -10.985 22.670 -6.442 318 H ARG 90 H ARG 90 -7.023 24.240 -4.868 319 HA ARG 90 HA ARG 90 -6.528 26.606 -3.288 320 HB2 ARG 90 HB2 ARG 90 -4.604 24.555 -4.470 321 HB3 ARG 90 HB3 ARG 90 -4.139 25.792 -3.304 322 HG2 ARG 90 HG2 ARG 90 -6.378 23.860 -2.657 323 HG3 ARG 90 HG3 ARG 90 -4.690 23.368 -2.564 324 HD2 ARG 90 HD2 ARG 90 -4.238 25.207 -0.959 325 HD3 ARG 90 HD3 ARG 90 -5.914 25.743 -1.065 326 HE ARG 90 HE ARG 90 -4.832 23.427 0.391 327 HH11 ARG 90 HH11 ARG 90 -7.839 24.844 -0.768 328 HH12 ARG 90 HH12 ARG 90 -8.799 23.911 0.342 329 HH21 ARG 90 HH21 ARG 90 -6.128 22.287 1.773 330 HH22 ARG 90 HH22 ARG 90 -7.850 22.503 1.741 331 H LYS 91 H LYS 91 -5.102 25.621 -6.365 332 HA LYS 91 HA LYS 91 -3.649 27.953 -6.991 333 HB2 LYS 91 HB2 LYS 91 -3.408 25.838 -8.170 334 HB3 LYS 91 HB3 LYS 91 -4.979 26.016 -8.939 335 HG2 LYS 91 HG2 LYS 91 -2.934 28.211 -9.315 336 HG3 LYS 91 HG3 LYS 91 -2.655 26.674 -10.110 337 HD2 LYS 91 HD2 LYS 91 -4.852 26.802 -11.240 338 HD3 LYS 91 HD3 LYS 91 -5.165 28.371 -10.472 339 HE2 LYS 91 HE2 LYS 91 -3.101 29.290 -11.543 340 HE3 LYS 91 HE3 LYS 91 -2.824 27.733 -12.329 341 HZ1 LYS 91 HZ1 LYS 91 -5.206 29.479 -12.786 342 HZ2 LYS 91 HZ2 LYS 91 -3.963 29.285 -13.823 343 HZ3 LYS 91 HZ3 LYS 91 -4.960 28.030 -13.512 344 H LYS 92 H LYS 92 -7.116 27.354 -7.793 345 HA LYS 92 HA LYS 92 -7.474 29.955 -9.033 346 HB2 LYS 92 HB2 LYS 92 -9.425 27.950 -7.844 347 HB3 LYS 92 HB3 LYS 92 -9.933 29.494 -8.556 348 HG2 LYS 92 HG2 LYS 92 -8.909 28.919 -10.704 349 HG3 LYS 92 HG3 LYS 92 -8.254 27.432 -10.040 350 HD2 LYS 92 HD2 LYS 92 -10.121 26.832 -11.334 351 HD3 LYS 92 HD3 LYS 92 -10.596 26.595 -9.659 352 HE2 LYS 92 HE2 LYS 92 -11.237 29.250 -10.969 353 HE3 LYS 92 HE3 LYS 92 -12.106 27.835 -11.551 354 HZ1 LYS 92 HZ1 LYS 92 -12.118 28.729 -8.707 355 HZ2 LYS 92 HZ2 LYS 92 -13.338 28.893 -9.774 356 HZ3 LYS 92 HZ3 LYS 92 -12.890 27.404 -9.293 357 H SER 93 H SER 93 -7.709 28.948 -5.615 358 HA SER 93 HA SER 93 -8.588 31.590 -4.739 359 HB2 SER 93 HB2 SER 93 -8.959 29.377 -3.560 360 HB3 SER 93 HB3 SER 93 -7.259 29.452 -3.057 361 HG SER 93 HG SER 93 -8.716 30.378 -1.497 362 H ASP 94 H ASP 94 -5.416 30.025 -4.992 363 HA ASP 94 HA ASP 94 -3.877 32.491 -4.572 364 HB2 ASP 94 HB2 ASP 94 -3.802 30.053 -2.755 365 HB3 ASP 94 HB3 ASP 94 -2.434 31.139 -2.935 366 HA PRO 95 HA PRO 95 -2.564 30.018 -8.038 367 HB2 PRO 95 HB2 PRO 95 -0.897 31.774 -9.342 368 HB3 PRO 95 HB3 PRO 95 -2.669 31.993 -9.213 369 HG2 PRO 95 HG2 PRO 95 -0.535 33.128 -7.353 370 HG3 PRO 95 HG3 PRO 95 -1.801 34.047 -8.259 371 HD2 PRO 95 HD2 PRO 95 -2.210 33.339 -5.715 372 HD3 PRO 95 HD3 PRO 95 -3.542 33.050 -6.885 373 H TRP 96 H TRP 96 -0.189 30.852 -5.686 374 HA TRP 96 HA TRP 96 2.193 30.077 -6.972 375 HB2 TRP 96 HB2 TRP 96 3.193 30.249 -4.836 376 HB3 TRP 96 HB3 TRP 96 1.915 31.451 -4.867 377 HD1 TRP 96 HD1 TRP 96 -0.528 30.317 -3.773 378 HE1 TRP 96 HE1 TRP 96 -0.803 29.064 -1.544 379 HE3 TRP 96 HE3 TRP 96 4.323 28.842 -3.086 380 HZ2 TRP 96 HZ2 TRP 96 0.860 27.560 0.264 381 HZ3 TRP 96 HZ3 TRP 96 4.947 27.469 -1.109 382 HH2 TRP 96 HH2 TRP 96 3.230 26.825 0.567 383 H LEU 97 H LEU 97 -0.225 27.876 -5.620 384 HA LEU 97 HA LEU 97 1.594 25.981 -4.603 385 HB2 LEU 97 HB2 LEU 97 -0.811 26.488 -3.962 386 HB3 LEU 97 HB3 LEU 97 -1.327 25.523 -5.347 387 HG LEU 97 HG LEU 97 0.559 24.361 -3.252 388 HD11 LEU 97 HD11 LEU 97 -2.463 24.267 -3.104 389 HD12 LEU 97 HD12 LEU 97 -1.317 23.529 -1.975 390 HD13 LEU 97 HD13 LEU 97 -1.445 25.296 -2.058 391 HD21 LEU 97 HD21 LEU 97 0.122 23.050 -5.300 392 HD22 LEU 97 HD22 LEU 97 -0.566 22.249 -3.887 393 HD23 LEU 97 HD23 LEU 97 -1.626 23.160 -4.995 394 H ARG 98 H ARG 98 2.594 24.211 -5.521 395 HA ARG 98 HA ARG 98 2.317 23.787 -8.446 396 HB2 ARG 98 HB2 ARG 98 4.521 24.304 -7.415 397 HB3 ARG 98 HB3 ARG 98 4.446 22.783 -6.521 398 HG2 ARG 98 HG2 ARG 98 4.383 21.517 -8.655 399 HG3 ARG 98 HG3 ARG 98 4.412 23.030 -9.572 400 HD2 ARG 98 HD2 ARG 98 6.582 22.112 -7.642 401 HD3 ARG 98 HD3 ARG 98 6.629 21.871 -9.398 402 HE ARG 98 HE ARG 98 6.231 24.602 -9.115 403 HH11 ARG 98 HH11 ARG 98 8.760 22.409 -8.073 404 HH12 ARG 98 HH12 ARG 98 9.976 23.659 -8.084 405 HH21 ARG 98 HH21 ARG 98 7.827 26.152 -9.092 406 HH22 ARG 98 HH22 ARG 98 9.453 25.722 -8.657 407 H LEU 99 H LEU 99 1.608 21.964 -9.383 408 HA LEU 99 HA LEU 99 0.219 19.950 -7.765 409 HB2 LEU 99 HB2 LEU 99 -0.542 21.153 -9.956 410 HB3 LEU 99 HB3 LEU 99 0.527 20.049 -10.778 411 HG LEU 99 HG LEU 99 -2.034 19.372 -9.231 412 HD11 LEU 99 HD11 LEU 99 -1.089 19.041 -12.121 413 HD12 LEU 99 HD12 LEU 99 -2.614 18.424 -11.491 414 HD13 LEU 99 HD13 LEU 99 -2.325 20.176 -11.540 415 HD21 LEU 99 HD21 LEU 99 -0.520 17.628 -8.661 416 HD22 LEU 99 HD22 LEU 99 -1.733 17.088 -9.798 417 HD23 LEU 99 HD23 LEU 99 -0.070 17.407 -10.382 418 H ASP 100 H ASP 100 1.302 18.160 -7.006 419 HA ASP 100 HA ASP 100 3.136 16.680 -8.837 420 HB2 ASP 100 HB2 ASP 100 3.695 17.425 -5.943 421 HB3 ASP 100 HB3 ASP 100 4.495 16.091 -6.768 422 H MET 101 H MET 101 2.379 14.687 -9.150 423 HA MET 101 HA MET 101 1.355 13.041 -6.959 424 HB2 MET 101 HB2 MET 101 -0.833 12.562 -8.333 425 HB3 MET 101 HB3 MET 101 -0.704 13.896 -7.225 426 HG2 MET 101 HG2 MET 101 -1.858 14.732 -9.024 427 HG3 MET 101 HG3 MET 101 -0.247 15.402 -9.154 428 HE1 MET 101 HE1 MET 101 -2.002 15.902 -11.583 429 HE2 MET 101 HE2 MET 101 -2.346 14.531 -12.661 430 HE3 MET 101 HE3 MET 101 -3.051 14.571 -11.026 431 H SER 102 H SER 102 3.588 12.522 -8.008 432 HA SER 102 HA SER 102 3.469 10.269 -9.875 433 HB2 SER 102 HB2 SER 102 5.592 11.370 -9.360 434 HB3 SER 102 HB3 SER 102 5.419 10.962 -7.641 435 HG SER 102 HG SER 102 6.772 9.495 -8.936 436 H ASP 103 H ASP 103 3.447 8.009 -9.244 437 HA ASP 103 HA ASP 103 1.476 7.272 -7.341 438 HB2 ASP 103 HB2 ASP 103 3.732 5.678 -8.600 439 HB3 ASP 103 HB3 ASP 103 2.475 4.967 -7.590 440 H LYS 104 H LYS 104 4.981 7.680 -6.896 441 HA LYS 104 HA LYS 104 5.174 6.655 -4.225 442 HB2 LYS 104 HB2 LYS 104 7.050 7.258 -5.798 443 HB3 LYS 104 HB3 LYS 104 6.741 8.965 -5.464 444 HG2 LYS 104 HG2 LYS 104 7.276 8.622 -3.077 445 HG3 LYS 104 HG3 LYS 104 7.389 6.877 -3.329 446 HD2 LYS 104 HD2 LYS 104 9.609 7.788 -3.164 447 HD3 LYS 104 HD3 LYS 104 9.350 7.202 -4.811 448 HE2 LYS 104 HE2 LYS 104 8.926 9.533 -5.578 449 HE3 LYS 104 HE3 LYS 104 9.123 10.120 -3.921 450 HZ1 LYS 104 HZ1 LYS 104 11.256 8.784 -5.518 451 HZ2 LYS 104 HZ2 LYS 104 11.175 10.382 -5.205 452 HZ3 LYS 104 HZ3 LYS 104 11.438 9.330 -3.987 453 H ALA 105 H ALA 105 4.175 9.886 -5.392 454 HA ALA 105 HA ALA 105 3.831 11.056 -2.753 455 HB1 ALA 105 HB1 ALA 105 2.595 11.866 -5.404 456 HB2 ALA 105 HB2 ALA 105 2.698 12.840 -3.928 457 HB3 ALA 105 HB3 ALA 105 4.180 12.405 -4.800 458 H ILE 106 H ILE 106 1.713 9.264 -4.985 459 HA ILE 106 HA ILE 106 -0.639 9.540 -3.312 460 HB ILE 106 HB ILE 106 0.109 7.675 -5.573 461 HG12 ILE 106 HG12 ILE 106 -1.950 8.724 -6.564 462 HG13 ILE 106 HG13 ILE 106 -2.105 9.730 -5.116 463 HG21 ILE 106 HG21 ILE 106 -2.397 7.403 -3.857 464 HG22 ILE 106 HG22 ILE 106 -2.171 6.688 -5.475 465 HG23 ILE 106 HG23 ILE 106 -1.150 6.172 -4.150 466 HD11 ILE 106 HD11 ILE 106 0.235 9.730 -7.033 467 HD12 ILE 106 HD12 ILE 106 -1.087 10.909 -6.998 468 HD13 ILE 106 HD13 ILE 106 0.056 10.832 -5.641 469 H PHE 107 H PHE 107 1.755 6.867 -3.507 470 HA PHE 107 HA PHE 107 0.513 5.407 -1.383 471 HB2 PHE 107 HB2 PHE 107 3.437 5.235 -2.128 472 HB3 PHE 107 HB3 PHE 107 2.430 4.010 -1.332 473 HD1 PHE 107 HD2 PHE 107 -0.044 4.290 -3.157 474 HD2 PHE 107 HD1 PHE 107 4.168 3.858 -3.971 475 HE1 PHE 107 HE2 PHE 107 -0.581 3.277 -5.322 476 HE2 PHE 107 HE1 PHE 107 3.625 2.781 -6.142 477 HZ PHE 107 HZ PHE 107 1.250 2.495 -6.834 478 H ARG 108 H ARG 108 2.992 7.977 -1.260 479 HA ARG 108 HA ARG 108 3.521 7.807 1.563 480 HB2 ARG 108 HB2 ARG 108 4.957 8.975 -0.080 481 HB3 ARG 108 HB3 ARG 108 3.703 10.204 -0.316 482 HG2 ARG 108 HG2 ARG 108 3.908 10.871 2.066 483 HG3 ARG 108 HG3 ARG 108 5.116 9.592 2.322 484 HD2 ARG 108 HD2 ARG 108 6.612 10.683 0.680 485 HD3 ARG 108 HD3 ARG 108 5.389 11.947 0.406 486 HE ARG 108 HE ARG 108 5.980 11.790 3.204 487 HH11 ARG 108 HH11 ARG 108 7.534 12.926 0.271 488 HH12 ARG 108 HH12 ARG 108 8.489 14.106 1.125 489 HH21 ARG 108 HH21 ARG 108 7.225 13.314 4.229 490 HH22 ARG 108 HH22 ARG 108 8.315 14.314 3.314 491 H ARG 109 H ARG 109 1.111 9.790 -0.246 492 HA ARG 109 HA ARG 109 -0.043 10.949 2.184 493 HB2 ARG 109 HB2 ARG 109 -0.973 10.773 -0.712 494 HB3 ARG 109 HB3 ARG 109 -1.952 11.502 0.568 495 HG2 ARG 109 HG2 ARG 109 -0.220 13.155 1.059 496 HG3 ARG 109 HG3 ARG 109 0.875 12.408 -0.110 497 HD2 ARG 109 HD2 ARG 109 -0.093 14.401 -1.060 498 HD3 ARG 109 HD3 ARG 109 -0.646 12.988 -1.952 499 HE ARG 109 HE ARG 109 -2.776 13.164 -0.499 500 HH11 ARG 109 HH11 ARG 109 -1.025 16.137 -1.309 501 HH12 ARG 109 HH12 ARG 109 -2.532 17.045 -1.360 502 HH21 ARG 109 HH21 ARG 109 -4.575 14.461 -0.596 503 HH22 ARG 109 HH22 ARG 109 -4.372 16.196 -0.799 504 H TYR 110 H TYR 110 -0.813 8.112 0.247 505 HA TYR 110 HA TYR 110 -2.994 7.326 2.130 506 HB2 TYR 110 HB2 TYR 110 -2.957 7.029 -0.883 507 HB3 TYR 110 HB3 TYR 110 -4.276 6.664 0.225 508 HD1 TYR 110 HD1 TYR 110 -5.112 8.679 1.726 509 HD2 TYR 110 HD2 TYR 110 -2.907 9.123 -1.948 510 HE1 TYR 110 HE1 TYR 110 -5.997 10.990 1.480 511 HE2 TYR 110 HE2 TYR 110 -3.811 11.441 -2.208 512 HH TYR 110 HH TYR 110 -6.078 12.868 0.181 513 HA PRO 111 HA PRO 111 0.314 4.153 1.918 514 HB2 PRO 111 HB2 PRO 111 0.216 3.198 4.482 515 HB3 PRO 111 HB3 PRO 111 0.964 4.762 4.034 516 HG2 PRO 111 HG2 PRO 111 -1.850 4.276 5.076 517 HG3 PRO 111 HG3 PRO 111 -0.635 5.452 5.683 518 HD2 PRO 111 HD2 PRO 111 -2.569 6.206 3.950 519 HD3 PRO 111 HD3 PRO 111 -0.904 6.846 3.784 520 H HIS 112 H HIS 112 -3.064 3.627 2.315 521 HA HIS 112 HA HIS 112 -2.898 0.703 2.394 522 HB2 HIS 112 HB2 HIS 112 -5.291 0.771 2.384 523 HB3 HIS 112 HB3 HIS 112 -4.680 1.950 3.537 524 HD2 HIS 112 HD2 HIS 112 -7.071 1.614 0.730 525 HE1 HIS 112 HE1 HIS 112 -6.303 5.791 0.834 526 HE2 HIS 112 HE2 HIS 112 -7.802 4.009 -0.122 527 H LEU 113 H LEU 113 -2.446 2.923 -0.149 528 HA LEU 113 HA LEU 113 -3.703 1.259 -2.205 529 HB2 LEU 113 HB2 LEU 113 -2.065 3.803 -2.268 530 HB3 LEU 113 HB3 LEU 113 -2.379 2.902 -3.741 531 HG LEU 113 HG LEU 113 -3.944 4.767 -3.506 532 HD11 LEU 113 HD11 LEU 113 -5.427 2.134 -3.117 533 HD12 LEU 113 HD12 LEU 113 -6.048 3.622 -3.813 534 HD13 LEU 113 HD13 LEU 113 -4.757 2.722 -4.659 535 HD21 LEU 113 HD21 LEU 113 -4.025 4.789 -1.022 536 HD22 LEU 113 HD22 LEU 113 -5.622 4.850 -1.806 537 HD23 LEU 113 HD23 LEU 113 -5.046 3.341 -1.087 538 H ARG 114 H ARG 114 -0.330 1.652 -1.046 539 HA ARG 114 HA ARG 114 0.306 -0.960 -2.198 540 HB2 ARG 114 HB2 ARG 114 0.754 0.632 -4.061 541 HB3 ARG 114 HB3 ARG 114 1.919 1.480 -3.042 542 HG2 ARG 114 HG2 ARG 114 2.236 -1.488 -3.516 543 HG3 ARG 114 HG3 ARG 114 2.656 -0.364 -4.808 544 HD2 ARG 114 HD2 ARG 114 4.335 0.719 -3.531 545 HD3 ARG 114 HD3 ARG 114 3.837 -0.032 -2.026 546 HE ARG 114 HE ARG 114 5.501 -1.201 -4.112 547 HH11 ARG 114 HH11 ARG 114 3.463 -2.019 -1.338 548 HH12 ARG 114 HH12 ARG 114 4.286 -3.543 -1.110 549 HH21 ARG 114 HH21 ARG 114 6.464 -3.159 -3.740 550 HH22 ARG 114 HH22 ARG 114 5.925 -4.171 -2.433 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -8.308 44.426 -8.625 2 H2 MET 1 H2 MET 1 -8.603 44.384 -7.023 3 H3 MET 1 H3 MET 1 -7.344 43.539 -7.641 4 HA MET 1 HA MET 1 -7.615 46.490 -7.606 5 HB2 MET 1 HB2 MET 1 -5.817 44.725 -5.894 6 HB3 MET 1 HB3 MET 1 -5.529 46.440 -6.167 7 HG2 MET 1 HG2 MET 1 -6.629 46.278 -4.106 8 HG3 MET 1 HG3 MET 1 -7.778 46.969 -5.242 9 HE1 MET 1 HE1 MET 1 -9.698 46.604 -3.453 10 HE2 MET 1 HE2 MET 1 -10.030 45.047 -2.661 11 HE3 MET 1 HE3 MET 1 -8.508 45.904 -2.328 12 H ARG 2 H ARG 2 -4.782 44.222 -7.979 13 HA ARG 2 HA ARG 2 -3.748 45.948 -10.153 14 HB2 ARG 2 HB2 ARG 2 -2.667 43.488 -8.715 15 HB3 ARG 2 HB3 ARG 2 -1.944 44.096 -10.194 16 HG2 ARG 2 HG2 ARG 2 -0.663 44.996 -8.459 17 HG3 ARG 2 HG3 ARG 2 -1.604 46.329 -9.125 18 HD2 ARG 2 HD2 ARG 2 -3.151 46.203 -7.198 19 HD3 ARG 2 HD3 ARG 2 -2.256 44.794 -6.576 20 HE ARG 2 HE ARG 2 -0.571 47.131 -7.016 21 HH11 ARG 2 HH11 ARG 2 -2.677 45.689 -4.600 22 HH12 ARG 2 HH12 ARG 2 -1.934 46.583 -3.304 23 HH21 ARG 2 HH21 ARG 2 0.329 48.217 -5.309 24 HH22 ARG 2 HH22 ARG 2 -0.277 47.969 -3.700 25 H GLY 3 H GLY 3 -3.417 45.351 -12.271 26 HA2 GLY 3 HA2 GLY 3 -5.464 43.673 -13.466 27 HA3 GLY 3 HA3 GLY 3 -4.208 44.588 -14.299 28 H SER 4 H SER 4 -2.062 43.143 -12.714 29 HA SER 4 HA SER 4 -1.677 40.950 -14.578 30 HB2 SER 4 HB2 SER 4 0.108 41.912 -12.321 31 HB3 SER 4 HB3 SER 4 0.569 40.837 -13.656 32 HG SER 4 HG SER 4 1.161 43.028 -14.069 33 H HIS 5 H HIS 5 -3.844 40.236 -13.113 34 HA HIS 5 HA HIS 5 -3.010 37.825 -11.614 35 HB2 HIS 5 HB2 HIS 5 -3.119 39.676 -9.941 36 HB3 HIS 5 HB3 HIS 5 -4.788 39.996 -10.418 37 HD2 HIS 5 HD2 HIS 5 -6.182 39.244 -8.370 38 HE1 HIS 5 HE1 HIS 5 -4.523 35.365 -7.737 39 HE2 HIS 5 HE2 HIS 5 -6.332 36.999 -6.999 40 H HIS 6 H HIS 6 -4.900 36.476 -11.032 41 HA HIS 6 HA HIS 6 -6.611 35.143 -11.677 42 HB2 HIS 6 HB2 HIS 6 -7.648 37.291 -10.707 43 HB3 HIS 6 HB3 HIS 6 -8.145 37.657 -12.354 44 HD2 HIS 6 HD2 HIS 6 -8.423 34.632 -9.871 45 HE1 HIS 6 HE1 HIS 6 -12.224 35.100 -11.752 46 HE2 HIS 6 HE2 HIS 6 -10.915 33.789 -10.003 47 H HIS 7 H HIS 7 -4.702 35.725 -13.766 48 HA HIS 7 HA HIS 7 -6.142 35.730 -16.316 49 HB2 HIS 7 HB2 HIS 7 -3.839 35.842 -17.221 50 HB3 HIS 7 HB3 HIS 7 -4.159 37.082 -16.016 51 HD2 HIS 7 HD2 HIS 7 -1.815 34.209 -16.758 52 HE1 HIS 7 HE1 HIS 7 -0.864 35.429 -12.779 53 HE2 HIS 7 HE2 HIS 7 -0.122 33.991 -14.746 54 H HIS 8 H HIS 8 -5.283 33.237 -14.192 55 HA HIS 8 HA HIS 8 -5.069 31.199 -16.382 56 HB2 HIS 8 HB2 HIS 8 -3.079 31.313 -14.984 57 HB3 HIS 8 HB3 HIS 8 -4.051 31.129 -13.522 58 HD2 HIS 8 HD2 HIS 8 -5.161 28.682 -13.050 59 HE1 HIS 8 HE1 HIS 8 -2.929 26.549 -15.997 60 HE2 HIS 8 HE2 HIS 8 -4.472 26.313 -13.984 61 H HIS 9 H HIS 9 -6.518 29.599 -16.523 62 HA HIS 9 HA HIS 9 -8.448 29.057 -14.333 63 HB2 HIS 9 HB2 HIS 9 -9.262 29.686 -17.201 64 HB3 HIS 9 HB3 HIS 9 -10.340 29.146 -15.916 65 HD2 HIS 9 HD2 HIS 9 -8.631 32.254 -17.284 66 HE1 HIS 9 HE1 HIS 9 -10.561 33.539 -13.709 67 HE2 HIS 9 HE2 HIS 9 -9.291 34.309 -15.763 68 H HIS 10 H HIS 10 -9.183 26.953 -14.245 69 HA HIS 10 HA HIS 10 -8.602 25.006 -16.371 70 HB2 HIS 10 HB2 HIS 10 -6.544 25.467 -14.682 71 HB3 HIS 10 HB3 HIS 10 -7.439 24.341 -13.677 72 HD2 HIS 10 HD2 HIS 10 -5.387 24.627 -16.892 73 HE1 HIS 10 HE1 HIS 10 -6.307 20.482 -16.508 74 HE2 HIS 10 HE2 HIS 10 -4.941 22.193 -17.801 75 H GLY 11 H GLY 11 -9.026 22.643 -15.095 76 HA2 GLY 11 HA2 GLY 11 -10.953 22.477 -13.077 77 HA3 GLY 11 HA3 GLY 11 -11.875 22.602 -14.574 78 H SER 12 H SER 12 -11.898 20.398 -12.776 79 HA SER 12 HA SER 12 -11.063 18.186 -14.595 80 HB2 SER 12 HB2 SER 12 -10.004 16.974 -12.746 81 HB3 SER 12 HB3 SER 12 -9.205 18.516 -13.093 82 HG SER 12 HG SER 12 -9.434 18.259 -10.884 83 H GLY 58 H GLY 58 -13.126 19.169 -11.872 84 HA2 GLY 58 HA2 GLY 58 -15.270 18.427 -11.372 85 HA3 GLY 58 HA3 GLY 58 -15.145 17.161 -12.582 86 H ALA 59 H ALA 59 -16.295 16.853 -10.035 87 HA ALA 59 HA ALA 59 -14.402 15.644 -8.193 88 HB1 ALA 59 HB1 ALA 59 -17.406 16.062 -7.998 89 HB2 ALA 59 HB2 ALA 59 -16.311 15.629 -6.667 90 HB3 ALA 59 HB3 ALA 59 -16.152 17.204 -7.462 91 H LEU 60 H LEU 60 -14.322 14.085 -10.447 92 HA LEU 60 HA LEU 60 -16.193 11.870 -10.304 93 HB2 LEU 60 HB2 LEU 60 -15.123 11.007 -12.225 94 HB3 LEU 60 HB3 LEU 60 -15.450 12.723 -12.364 95 HG LEU 60 HG LEU 60 -12.934 13.082 -11.781 96 HD11 LEU 60 HD11 LEU 60 -12.888 10.134 -12.593 97 HD12 LEU 60 HD12 LEU 60 -11.474 11.203 -12.582 98 HD13 LEU 60 HD13 LEU 60 -12.282 10.814 -11.067 99 HD21 LEU 60 HD21 LEU 60 -13.970 13.455 -13.968 100 HD22 LEU 60 HD22 LEU 60 -12.358 12.747 -14.159 101 HD23 LEU 60 HD23 LEU 60 -13.809 11.730 -14.359 102 H ALA 61 H ALA 61 -13.319 12.412 -8.582 103 HA ALA 61 HA ALA 61 -12.366 9.696 -8.331 104 HB1 ALA 61 HB1 ALA 61 -11.947 12.136 -6.551 105 HB2 ALA 61 HB2 ALA 61 -11.022 10.623 -6.486 106 HB3 ALA 61 HB3 ALA 61 -10.930 11.649 -7.926 107 H ALA 62 H ALA 62 -12.689 8.164 -6.767 108 HA ALA 62 HA ALA 62 -15.004 8.547 -4.980 109 HB1 ALA 62 HB1 ALA 62 -13.756 5.978 -6.027 110 HB2 ALA 62 HB2 ALA 62 -15.243 6.099 -5.071 111 HB3 ALA 62 HB3 ALA 62 -15.188 6.785 -6.706 112 H LEU 63 H LEU 63 -15.160 7.633 -2.931 113 HA LEU 63 HA LEU 63 -12.596 7.390 -1.425 114 HB2 LEU 63 HB2 LEU 63 -15.109 8.914 -0.629 115 HB3 LEU 63 HB3 LEU 63 -13.723 8.644 0.418 116 HG LEU 63 HG LEU 63 -13.662 10.277 -2.161 117 HD11 LEU 63 HD11 LEU 63 -13.624 11.144 0.762 118 HD12 LEU 63 HD12 LEU 63 -13.482 12.209 -0.654 119 HD13 LEU 63 HD13 LEU 63 -14.992 11.332 -0.359 120 HD21 LEU 63 HD21 LEU 63 -11.456 9.340 -1.680 121 HD22 LEU 63 HD22 LEU 63 -11.465 11.058 -1.248 122 HD23 LEU 63 HD23 LEU 63 -11.581 9.829 0.021 123 H HIS 64 H HIS 64 -12.586 6.068 0.356 124 HA HIS 64 HA HIS 64 -14.681 4.045 0.779 125 HB2 HIS 64 HB2 HIS 64 -12.222 4.905 2.323 126 HB3 HIS 64 HB3 HIS 64 -13.286 3.609 2.861 127 HD2 HIS 64 HD2 HIS 64 -10.232 4.199 0.845 128 HE1 HIS 64 HE1 HIS 64 -11.546 0.305 -0.283 129 HE2 HIS 64 HE2 HIS 64 -9.599 1.937 -0.358 130 H ALA 65 H ALA 65 -16.464 4.286 2.073 131 HA ALA 65 HA ALA 65 -16.894 6.903 3.356 132 HB1 ALA 65 HB1 ALA 65 -18.767 4.554 2.865 133 HB2 ALA 65 HB2 ALA 65 -19.233 6.184 3.395 134 HB3 ALA 65 HB3 ALA 65 -18.530 5.948 1.784 135 H GLU 66 H GLU 66 -16.236 3.632 4.445 136 HA GLU 66 HA GLU 66 -16.693 4.380 7.302 137 HB2 GLU 66 HB2 GLU 66 -17.816 1.925 5.884 138 HB3 GLU 66 HB3 GLU 66 -17.812 2.174 7.630 139 HG2 GLU 66 HG2 GLU 66 -19.183 4.245 7.316 140 HG3 GLU 66 HG3 GLU 66 -19.297 3.878 5.591 141 H GLY 67 H GLY 67 -15.791 2.786 8.833 142 HA2 GLY 67 HA2 GLY 67 -14.207 1.288 9.616 143 HA3 GLY 67 HA3 GLY 67 -13.914 0.785 7.956 144 HA PRO 68 HA PRO 68 -10.124 2.777 9.896 145 HB2 PRO 68 HB2 PRO 68 -8.319 1.249 8.350 146 HB3 PRO 68 HB3 PRO 68 -8.907 0.858 9.999 147 HG2 PRO 68 HG2 PRO 68 -9.911 -0.135 7.326 148 HG3 PRO 68 HG3 PRO 68 -9.661 -1.065 8.839 149 HD2 PRO 68 HD2 PRO 68 -12.109 -0.267 8.114 150 HD3 PRO 68 HD3 PRO 68 -11.616 -0.136 9.828 151 H LEU 69 H LEU 69 -10.928 2.261 6.511 152 HA LEU 69 HA LEU 69 -9.003 4.308 5.567 153 HB2 LEU 69 HB2 LEU 69 -10.805 2.360 4.114 154 HB3 LEU 69 HB3 LEU 69 -9.626 3.431 3.344 155 HG LEU 69 HG LEU 69 -8.994 1.112 5.221 156 HD11 LEU 69 HD11 LEU 69 -8.559 1.509 2.243 157 HD12 LEU 69 HD12 LEU 69 -7.981 0.120 3.197 158 HD13 LEU 69 HD13 LEU 69 -9.719 0.407 3.001 159 HD21 LEU 69 HD21 LEU 69 -7.313 2.842 5.561 160 HD22 LEU 69 HD22 LEU 69 -6.625 1.534 4.602 161 HD23 LEU 69 HD23 LEU 69 -7.123 3.048 3.806 162 H ALA 70 H ALA 70 -12.022 4.583 6.844 163 HA ALA 70 HA ALA 70 -13.605 5.952 5.033 164 HB1 ALA 70 HB1 ALA 70 -13.214 6.576 7.987 165 HB2 ALA 70 HB2 ALA 70 -14.595 7.083 6.992 166 HB3 ALA 70 HB3 ALA 70 -14.316 5.363 7.305 167 H GLY 71 H GLY 71 -13.489 7.764 3.893 168 HA2 GLY 71 HA2 GLY 71 -13.080 10.065 3.488 169 HA3 GLY 71 HA3 GLY 71 -11.864 10.089 4.775 170 H LEU 72 H LEU 72 -11.020 7.400 3.057 171 HA LEU 72 HA LEU 72 -8.960 8.970 1.592 172 HB2 LEU 72 HB2 LEU 72 -8.958 6.093 2.530 173 HB3 LEU 72 HB3 LEU 72 -7.588 6.994 1.915 174 HG LEU 72 HG LEU 72 -8.970 7.413 4.579 175 HD11 LEU 72 HD11 LEU 72 -6.125 6.611 3.847 176 HD12 LEU 72 HD12 LEU 72 -6.817 6.725 5.480 177 HD13 LEU 72 HD13 LEU 72 -7.405 5.493 4.350 178 HD21 LEU 72 HD21 LEU 72 -8.336 9.629 3.782 179 HD22 LEU 72 HD22 LEU 72 -7.217 9.105 5.040 180 HD23 LEU 72 HD23 LEU 72 -6.715 9.039 3.338 181 HA PRO 73 HA PRO 73 -10.100 7.618 -2.556 182 HB2 PRO 73 HB2 PRO 73 -7.686 6.859 -3.619 183 HB3 PRO 73 HB3 PRO 73 -8.166 8.563 -3.395 184 HG2 PRO 73 HG2 PRO 73 -6.517 6.818 -1.525 185 HG3 PRO 73 HG3 PRO 73 -6.096 8.438 -2.138 186 HD2 PRO 73 HD2 PRO 73 -7.182 8.197 0.267 187 HD3 PRO 73 HD3 PRO 73 -7.838 9.446 -0.808 188 H VAL 74 H VAL 74 -10.798 5.816 -3.580 189 HA VAL 74 HA VAL 74 -10.262 3.216 -2.307 190 HB VAL 74 HB VAL 74 -11.944 3.807 -4.764 191 HG11 VAL 74 HG11 VAL 74 -11.785 1.370 -2.944 192 HG12 VAL 74 HG12 VAL 74 -12.991 1.626 -4.228 193 HG13 VAL 74 HG13 VAL 74 -11.290 1.443 -4.652 194 HG21 VAL 74 HG21 VAL 74 -12.857 4.952 -2.777 195 HG22 VAL 74 HG22 VAL 74 -13.862 3.569 -3.202 196 HG23 VAL 74 HG23 VAL 74 -12.731 3.445 -1.837 197 H THR 75 H THR 75 -9.290 4.921 -5.265 198 HA THR 75 HA THR 75 -7.251 2.789 -5.792 199 HB THR 75 HB THR 75 -7.695 2.820 -8.070 200 HG1 THR 75 HG1 THR 75 -9.181 4.484 -8.928 201 HG21 THR 75 HG21 THR 75 -10.469 3.378 -6.943 202 HG22 THR 75 HG22 THR 75 -10.074 2.482 -8.425 203 HG23 THR 75 HG23 THR 75 -9.636 1.814 -6.840 204 H ARG 76 H ARG 76 -5.372 3.484 -7.141 205 HA ARG 76 HA ARG 76 -4.276 6.005 -6.232 206 HB2 ARG 76 HB2 ARG 76 -2.388 5.583 -7.657 207 HB3 ARG 76 HB3 ARG 76 -2.818 4.125 -6.767 208 HG2 ARG 76 HG2 ARG 76 -3.784 3.109 -8.765 209 HG3 ARG 76 HG3 ARG 76 -3.603 4.621 -9.680 210 HD2 ARG 76 HD2 ARG 76 -1.176 4.516 -9.456 211 HD3 ARG 76 HD3 ARG 76 -1.290 3.018 -8.514 212 HE ARG 76 HE ARG 76 -2.604 2.287 -10.757 213 HH11 ARG 76 HH11 ARG 76 0.534 3.889 -10.466 214 HH12 ARG 76 HH12 ARG 76 1.089 3.203 -11.974 215 HH21 ARG 76 HH21 ARG 76 -1.800 1.473 -12.656 216 HH22 ARG 76 HH22 ARG 76 -0.187 1.867 -13.165 217 H SER 77 H SER 77 -6.255 5.235 -9.008 218 HA SER 77 HA SER 77 -5.813 7.740 -10.419 219 HB2 SER 77 HB2 SER 77 -6.780 5.680 -11.451 220 HB3 SER 77 HB3 SER 77 -8.257 5.936 -10.501 221 HG SER 77 HG SER 77 -8.353 6.865 -12.639 222 H ASP 78 H ASP 78 -8.262 6.650 -7.956 223 HA ASP 78 HA ASP 78 -9.572 9.190 -7.765 224 HB2 ASP 78 HB2 ASP 78 -9.136 7.230 -5.485 225 HB3 ASP 78 HB3 ASP 78 -10.338 8.520 -5.562 226 H ALA 79 H ALA 79 -6.720 7.900 -5.976 227 HA ALA 79 HA ALA 79 -6.284 10.173 -4.337 228 HB1 ALA 79 HB1 ALA 79 -4.156 8.316 -5.491 229 HB2 ALA 79 HB2 ALA 79 -4.109 9.211 -3.957 230 HB3 ALA 79 HB3 ALA 79 -5.229 7.853 -4.166 231 H ARG 80 H ARG 80 -4.865 9.458 -7.559 232 HA ARG 80 HA ARG 80 -3.376 11.868 -7.943 233 HB2 ARG 80 HB2 ARG 80 -3.203 9.756 -9.255 234 HB3 ARG 80 HB3 ARG 80 -4.786 10.070 -9.978 235 HG2 ARG 80 HG2 ARG 80 -3.898 12.131 -11.035 236 HG3 ARG 80 HG3 ARG 80 -2.338 11.857 -10.230 237 HD2 ARG 80 HD2 ARG 80 -2.059 9.734 -11.444 238 HD3 ARG 80 HD3 ARG 80 -3.614 9.950 -12.240 239 HE ARG 80 HE ARG 80 -1.086 11.438 -12.722 240 HH11 ARG 80 HH11 ARG 80 -4.455 11.119 -13.687 241 HH12 ARG 80 HH12 ARG 80 -4.208 12.034 -15.147 242 HH21 ARG 80 HH21 ARG 80 -0.852 12.565 -14.612 243 HH22 ARG 80 HH22 ARG 80 -2.217 12.825 -15.654 244 H VAL 81 H VAL 81 -6.787 11.165 -8.823 245 HA VAL 81 HA VAL 81 -7.200 13.841 -9.871 246 HB VAL 81 HB VAL 81 -9.129 11.604 -9.223 247 HG11 VAL 81 HG11 VAL 81 -9.673 14.263 -10.636 248 HG12 VAL 81 HG12 VAL 81 -10.781 12.876 -10.595 249 HG13 VAL 81 HG13 VAL 81 -10.397 13.734 -9.103 250 HG21 VAL 81 HG21 VAL 81 -7.560 11.221 -11.134 251 HG22 VAL 81 HG22 VAL 81 -9.230 11.380 -11.668 252 HG23 VAL 81 HG23 VAL 81 -8.106 12.739 -11.870 253 H LEU 82 H LEU 82 -7.842 12.403 -6.605 254 HA LEU 82 HA LEU 82 -9.141 14.736 -5.551 255 HB2 LEU 82 HB2 LEU 82 -7.428 12.554 -4.314 256 HB3 LEU 82 HB3 LEU 82 -8.152 13.819 -3.339 257 HG LEU 82 HG LEU 82 -9.849 12.071 -5.147 258 HD11 LEU 82 HD11 LEU 82 -9.250 11.589 -2.205 259 HD12 LEU 82 HD12 LEU 82 -10.265 10.600 -3.300 260 HD13 LEU 82 HD13 LEU 82 -8.520 10.692 -3.550 261 HD21 LEU 82 HD21 LEU 82 -10.952 14.112 -4.326 262 HD22 LEU 82 HD22 LEU 82 -11.651 12.667 -3.585 263 HD23 LEU 82 HD23 LEU 82 -10.523 13.679 -2.657 264 H ILE 83 H ILE 83 -5.624 13.878 -5.635 265 HA ILE 83 HA ILE 83 -4.718 16.348 -4.488 266 HB ILE 83 HB ILE 83 -3.350 14.420 -6.403 267 HG12 ILE 83 HG12 ILE 83 -2.858 14.862 -3.420 268 HG13 ILE 83 HG13 ILE 83 -4.008 13.670 -4.011 269 HG21 ILE 83 HG21 ILE 83 -2.220 16.836 -4.907 270 HG22 ILE 83 HG22 ILE 83 -1.214 15.592 -5.652 271 HG23 ILE 83 HG23 ILE 83 -2.244 16.592 -6.668 272 HD11 ILE 83 HD11 ILE 83 -1.019 13.644 -4.569 273 HD12 ILE 83 HD12 ILE 83 -1.935 12.556 -3.517 274 HD13 ILE 83 HD13 ILE 83 -2.213 12.520 -5.266 275 H PHE 84 H PHE 84 -5.298 15.462 -7.930 276 HA PHE 84 HA PHE 84 -4.502 17.928 -9.066 277 HB2 PHE 84 HB2 PHE 84 -4.891 15.838 -10.316 278 HB3 PHE 84 HB3 PHE 84 -6.599 15.919 -9.929 279 HD1 PHE 84 HD1 PHE 84 -5.096 19.147 -10.897 280 HD2 PHE 84 HD2 PHE 84 -6.953 15.525 -12.344 281 HE1 PHE 84 HE1 PHE 84 -5.613 20.265 -13.002 282 HE2 PHE 84 HE2 PHE 84 -7.445 16.659 -14.495 283 HZ PHE 84 HZ PHE 84 -6.800 19.036 -14.828 284 H ASN 85 H ASN 85 -7.867 16.950 -8.073 285 HA ASN 85 HA ASN 85 -8.953 19.510 -8.805 286 HB2 ASN 85 HB2 ASN 85 -10.199 17.307 -8.641 287 HB3 ASN 85 HB3 ASN 85 -10.086 17.422 -6.882 288 HD21 ASN 85 HD22 ASN 85 -11.370 19.047 -9.809 289 HD22 ASN 85 HD21 ASN 85 -12.640 19.911 -8.937 290 H GLU 86 H GLU 86 -7.665 18.264 -5.698 291 HA GLU 86 HA GLU 86 -8.331 20.554 -4.100 292 HB2 GLU 86 HB2 GLU 86 -7.620 18.391 -3.163 293 HB3 GLU 86 HB3 GLU 86 -6.001 18.610 -3.853 294 HG2 GLU 86 HG2 GLU 86 -5.662 20.617 -2.455 295 HG3 GLU 86 HG3 GLU 86 -7.310 20.485 -1.838 296 H TRP 87 H TRP 87 -5.226 19.803 -5.919 297 HA TRP 87 HA TRP 87 -4.003 22.305 -5.581 298 HB2 TRP 87 HB2 TRP 87 -2.796 20.536 -6.658 299 HB3 TRP 87 HB3 TRP 87 -4.033 20.345 -7.895 300 HD1 TRP 87 HD1 TRP 87 -1.244 22.722 -6.856 301 HE1 TRP 87 HE1 TRP 87 -0.643 24.309 -8.790 302 HE3 TRP 87 HE3 TRP 87 -4.925 21.394 -10.165 303 HZ2 TRP 87 HZ2 TRP 87 -1.573 24.844 -11.457 304 HZ3 TRP 87 HZ3 TRP 87 -5.095 22.533 -12.363 305 HH2 TRP 87 HH2 TRP 87 -3.433 24.255 -13.014 306 H GLU 88 H GLU 88 -6.492 21.383 -8.047 307 HA GLU 88 HA GLU 88 -6.361 23.837 -9.423 308 HB2 GLU 88 HB2 GLU 88 -7.474 21.576 -10.043 309 HB3 GLU 88 HB3 GLU 88 -8.911 22.204 -9.246 310 HG2 GLU 88 HG2 GLU 88 -7.370 23.573 -11.493 311 HG3 GLU 88 HG3 GLU 88 -8.743 22.509 -11.758 312 H GLU 89 H GLU 89 -8.613 22.931 -6.735 313 HA GLU 89 HA GLU 89 -9.939 25.457 -6.556 314 HB2 GLU 89 HB2 GLU 89 -10.755 23.394 -5.566 315 HB3 GLU 89 HB3 GLU 89 -9.386 23.299 -4.472 316 HG2 GLU 89 HG2 GLU 89 -11.347 25.631 -4.494 317 HG3 GLU 89 HG3 GLU 89 -11.645 24.156 -3.580 318 H ARG 90 H ARG 90 -7.033 24.254 -4.791 319 HA ARG 90 HA ARG 90 -6.559 26.646 -3.272 320 HB2 ARG 90 HB2 ARG 90 -4.630 24.572 -4.369 321 HB3 ARG 90 HB3 ARG 90 -4.193 25.798 -3.176 322 HG2 ARG 90 HG2 ARG 90 -6.332 23.681 -2.693 323 HG3 ARG 90 HG3 ARG 90 -4.614 23.477 -2.390 324 HD2 ARG 90 HD2 ARG 90 -5.589 24.073 -0.293 325 HD3 ARG 90 HD3 ARG 90 -4.773 25.539 -0.864 326 HE ARG 90 HE ARG 90 -7.663 25.190 -1.535 327 HH11 ARG 90 HH11 ARG 90 -5.512 26.679 0.816 328 HH12 ARG 90 HH12 ARG 90 -6.702 27.873 1.252 329 HH21 ARG 90 HH21 ARG 90 -9.041 26.739 -1.049 330 HH22 ARG 90 HH22 ARG 90 -8.711 27.857 0.266 331 H LYS 91 H LYS 91 -5.084 25.599 -6.306 332 HA LYS 91 HA LYS 91 -3.645 27.996 -6.814 333 HB2 LYS 91 HB2 LYS 91 -3.326 25.702 -7.823 334 HB3 LYS 91 HB3 LYS 91 -4.578 26.084 -8.992 335 HG2 LYS 91 HG2 LYS 91 -2.215 27.962 -8.611 336 HG3 LYS 91 HG3 LYS 91 -1.961 26.419 -9.406 337 HD2 LYS 91 HD2 LYS 91 -3.834 27.018 -11.016 338 HD3 LYS 91 HD3 LYS 91 -3.762 28.666 -10.386 339 HE2 LYS 91 HE2 LYS 91 -1.367 27.134 -11.531 340 HE3 LYS 91 HE3 LYS 91 -2.410 28.150 -12.515 341 HZ1 LYS 91 HZ1 LYS 91 -0.779 29.148 -10.213 342 HZ2 LYS 91 HZ2 LYS 91 -0.430 29.353 -11.794 343 HZ3 LYS 91 HZ3 LYS 91 -1.752 30.073 -11.166 344 H LYS 92 H LYS 92 -7.053 27.288 -7.788 345 HA LYS 92 HA LYS 92 -7.575 29.764 -9.065 346 HB2 LYS 92 HB2 LYS 92 -9.060 27.647 -8.760 347 HB3 LYS 92 HB3 LYS 92 -9.451 28.284 -7.172 348 HG2 LYS 92 HG2 LYS 92 -11.221 28.940 -8.506 349 HG3 LYS 92 HG3 LYS 92 -10.257 30.418 -8.379 350 HD2 LYS 92 HD2 LYS 92 -9.291 29.998 -10.616 351 HD3 LYS 92 HD3 LYS 92 -10.088 28.415 -10.679 352 HE2 LYS 92 HE2 LYS 92 -12.321 29.606 -10.419 353 HE3 LYS 92 HE3 LYS 92 -11.475 31.147 -10.572 354 HZ1 LYS 92 HZ1 LYS 92 -11.534 29.015 -12.663 355 HZ2 LYS 92 HZ2 LYS 92 -12.420 30.382 -12.696 356 HZ3 LYS 92 HZ3 LYS 92 -10.805 30.486 -12.836 357 H SER 93 H SER 93 -7.706 28.947 -5.560 358 HA SER 93 HA SER 93 -8.508 31.620 -4.784 359 HB2 SER 93 HB2 SER 93 -8.993 29.429 -3.601 360 HB3 SER 93 HB3 SER 93 -7.326 29.480 -2.993 361 HG SER 93 HG SER 93 -8.889 30.461 -1.549 362 H ASP 94 H ASP 94 -5.352 30.033 -4.895 363 HA ASP 94 HA ASP 94 -3.850 32.485 -4.227 364 HB2 ASP 94 HB2 ASP 94 -3.751 29.838 -2.741 365 HB3 ASP 94 HB3 ASP 94 -2.407 30.974 -2.751 366 HA PRO 95 HA PRO 95 -2.654 30.518 -8.001 367 HB2 PRO 95 HB2 PRO 95 -1.038 32.452 -9.137 368 HB3 PRO 95 HB3 PRO 95 -2.809 32.608 -8.934 369 HG2 PRO 95 HG2 PRO 95 -0.640 33.579 -7.025 370 HG3 PRO 95 HG3 PRO 95 -1.975 34.550 -7.761 371 HD2 PRO 95 HD2 PRO 95 -2.248 33.528 -5.306 372 HD3 PRO 95 HD3 PRO 95 -3.620 33.330 -6.448 373 H TRP 96 H TRP 96 -0.140 31.042 -5.689 374 HA TRP 96 HA TRP 96 2.143 30.412 -7.230 375 HB2 TRP 96 HB2 TRP 96 3.284 30.325 -5.155 376 HB3 TRP 96 HB3 TRP 96 2.034 31.539 -4.971 377 HD1 TRP 96 HD1 TRP 96 -0.314 30.472 -3.738 378 HE1 TRP 96 HE1 TRP 96 -0.489 28.929 -1.691 379 HE3 TRP 96 HE3 TRP 96 4.420 28.521 -3.801 380 HZ2 TRP 96 HZ2 TRP 96 1.194 27.051 -0.293 381 HZ3 TRP 96 HZ3 TRP 96 5.101 26.834 -2.106 382 HH2 TRP 96 HH2 TRP 96 3.503 26.095 -0.354 383 H LEU 97 H LEU 97 -0.185 28.142 -5.861 384 HA LEU 97 HA LEU 97 1.617 26.175 -5.103 385 HB2 LEU 97 HB2 LEU 97 -0.768 26.500 -4.360 386 HB3 LEU 97 HB3 LEU 97 -1.293 25.795 -5.890 387 HG LEU 97 HG LEU 97 -0.080 23.668 -5.253 388 HD11 LEU 97 HD11 LEU 97 0.197 25.062 -2.557 389 HD12 LEU 97 HD12 LEU 97 0.476 23.334 -2.859 390 HD13 LEU 97 HD13 LEU 97 1.534 24.537 -3.599 391 HD21 LEU 97 HD21 LEU 97 -2.492 24.013 -4.919 392 HD22 LEU 97 HD22 LEU 97 -1.800 22.952 -3.675 393 HD23 LEU 97 HD23 LEU 97 -2.162 24.653 -3.287 394 H ARG 98 H ARG 98 2.460 24.290 -6.001 395 HA ARG 98 HA ARG 98 1.991 23.710 -8.900 396 HB2 ARG 98 HB2 ARG 98 4.184 22.806 -6.994 397 HB3 ARG 98 HB3 ARG 98 3.945 22.185 -8.631 398 HG2 ARG 98 HG2 ARG 98 4.232 24.505 -9.539 399 HG3 ARG 98 HG3 ARG 98 4.581 25.071 -7.900 400 HD2 ARG 98 HD2 ARG 98 6.667 24.734 -9.062 401 HD3 ARG 98 HD3 ARG 98 6.546 23.522 -7.798 402 HE ARG 98 HE ARG 98 6.353 23.120 -10.748 403 HH11 ARG 98 HH11 ARG 98 6.354 21.506 -7.628 404 HH12 ARG 98 HH12 ARG 98 6.195 19.937 -8.362 405 HH21 ARG 98 HH21 ARG 98 6.427 21.026 -11.579 406 HH22 ARG 98 HH22 ARG 98 6.481 19.679 -10.470 407 H LEU 99 H LEU 99 1.645 21.602 -9.625 408 HA LEU 99 HA LEU 99 0.034 19.870 -7.813 409 HB2 LEU 99 HB2 LEU 99 -0.815 20.976 -10.017 410 HB3 LEU 99 HB3 LEU 99 0.199 19.822 -10.839 411 HG LEU 99 HG LEU 99 -2.332 19.279 -9.204 412 HD11 LEU 99 HD11 LEU 99 -1.428 18.645 -12.046 413 HD12 LEU 99 HD12 LEU 99 -2.981 18.193 -11.335 414 HD13 LEU 99 HD13 LEU 99 -2.585 19.908 -11.576 415 HD21 LEU 99 HD21 LEU 99 -0.830 17.574 -8.492 416 HD22 LEU 99 HD22 LEU 99 -2.051 16.944 -9.582 417 HD23 LEU 99 HD23 LEU 99 -0.388 17.220 -10.192 418 H ASP 100 H ASP 100 1.146 18.102 -7.004 419 HA ASP 100 HA ASP 100 3.044 16.614 -8.778 420 HB2 ASP 100 HB2 ASP 100 3.528 17.250 -5.845 421 HB3 ASP 100 HB3 ASP 100 4.541 16.256 -6.884 422 H MET 101 H MET 101 2.345 14.565 -9.017 423 HA MET 101 HA MET 101 1.316 12.975 -6.782 424 HB2 MET 101 HB2 MET 101 -0.888 12.511 -8.190 425 HB3 MET 101 HB3 MET 101 -0.753 13.838 -7.070 426 HG2 MET 101 HG2 MET 101 -1.882 14.643 -8.950 427 HG3 MET 101 HG3 MET 101 -0.295 15.371 -8.932 428 HE1 MET 101 HE1 MET 101 -1.915 15.826 -11.500 429 HE2 MET 101 HE2 MET 101 -2.076 14.467 -12.625 430 HE3 MET 101 HE3 MET 101 -2.915 14.419 -11.055 431 H SER 102 H SER 102 3.566 12.469 -7.951 432 HA SER 102 HA SER 102 3.369 10.207 -9.782 433 HB2 SER 102 HB2 SER 102 5.502 10.894 -7.721 434 HB3 SER 102 HB3 SER 102 5.647 9.699 -9.025 435 HG SER 102 HG SER 102 6.585 11.732 -9.601 436 H ASP 103 H ASP 103 3.685 7.943 -9.149 437 HA ASP 103 HA ASP 103 1.855 6.978 -7.286 438 HB2 ASP 103 HB2 ASP 103 4.394 5.686 -8.359 439 HB3 ASP 103 HB3 ASP 103 3.166 4.823 -7.438 440 H LYS 104 H LYS 104 5.314 7.657 -6.673 441 HA LYS 104 HA LYS 104 5.396 6.717 -3.961 442 HB2 LYS 104 HB2 LYS 104 7.004 8.890 -5.379 443 HB3 LYS 104 HB3 LYS 104 7.344 8.303 -3.745 444 HG2 LYS 104 HG2 LYS 104 7.644 5.999 -4.616 445 HG3 LYS 104 HG3 LYS 104 7.368 6.590 -6.266 446 HD2 LYS 104 HD2 LYS 104 9.355 8.072 -6.080 447 HD3 LYS 104 HD3 LYS 104 9.577 7.568 -4.403 448 HE2 LYS 104 HE2 LYS 104 11.170 6.359 -5.675 449 HE3 LYS 104 HE3 LYS 104 9.935 5.210 -5.163 450 HZ1 LYS 104 HZ1 LYS 104 10.096 6.451 -7.875 451 HZ2 LYS 104 HZ2 LYS 104 10.556 4.931 -7.513 452 HZ3 LYS 104 HZ3 LYS 104 8.982 5.334 -7.419 453 H ALA 105 H ALA 105 4.275 9.886 -5.245 454 HA ALA 105 HA ALA 105 3.919 11.084 -2.618 455 HB1 ALA 105 HB1 ALA 105 2.653 11.777 -5.297 456 HB2 ALA 105 HB2 ALA 105 2.680 12.790 -3.841 457 HB3 ALA 105 HB3 ALA 105 4.196 12.418 -4.685 458 H ILE 106 H ILE 106 1.841 9.230 -4.863 459 HA ILE 106 HA ILE 106 -0.506 9.450 -3.175 460 HB ILE 106 HB ILE 106 0.245 7.661 -5.494 461 HG12 ILE 106 HG12 ILE 106 -1.792 8.713 -6.464 462 HG13 ILE 106 HG13 ILE 106 -2.057 9.600 -4.956 463 HG21 ILE 106 HG21 ILE 106 -2.252 7.307 -3.769 464 HG22 ILE 106 HG22 ILE 106 -2.035 6.641 -5.404 465 HG23 ILE 106 HG23 ILE 106 -0.995 6.092 -4.100 466 HD11 ILE 106 HD11 ILE 106 0.370 9.889 -6.734 467 HD12 ILE 106 HD12 ILE 106 -1.047 10.963 -6.720 468 HD13 ILE 106 HD13 ILE 106 0.009 10.882 -5.301 469 H PHE 107 H PHE 107 1.931 6.827 -3.419 470 HA PHE 107 HA PHE 107 0.698 5.305 -1.320 471 HB2 PHE 107 HB2 PHE 107 3.627 5.214 -2.064 472 HB3 PHE 107 HB3 PHE 107 2.669 3.982 -1.227 473 HD1 PHE 107 HD2 PHE 107 0.172 4.160 -3.070 474 HD2 PHE 107 HD1 PHE 107 4.394 3.761 -3.835 475 HE1 PHE 107 HE2 PHE 107 -0.330 3.018 -5.181 476 HE2 PHE 107 HE1 PHE 107 3.886 2.577 -5.957 477 HZ PHE 107 HZ PHE 107 1.523 2.210 -6.648 478 H ARG 108 H ARG 108 3.143 7.923 -1.129 479 HA ARG 108 HA ARG 108 3.626 7.632 1.700 480 HB2 ARG 108 HB2 ARG 108 5.135 8.773 0.122 481 HB3 ARG 108 HB3 ARG 108 3.954 10.073 -0.098 482 HG2 ARG 108 HG2 ARG 108 4.159 10.731 2.240 483 HG3 ARG 108 HG3 ARG 108 5.170 9.324 2.605 484 HD2 ARG 108 HD2 ARG 108 5.939 11.531 0.652 485 HD3 ARG 108 HD3 ARG 108 6.412 11.495 2.360 486 HE ARG 108 HE ARG 108 7.193 9.016 1.274 487 HH11 ARG 108 HH11 ARG 108 8.138 12.367 0.881 488 HH12 ARG 108 HH12 ARG 108 9.765 11.950 0.421 489 HH21 ARG 108 HH21 ARG 108 9.283 8.551 0.668 490 HH22 ARG 108 HH22 ARG 108 10.391 9.841 0.311 491 H ARG 109 H ARG 109 1.228 9.626 -0.090 492 HA ARG 109 HA ARG 109 0.106 10.732 2.413 493 HB2 ARG 109 HB2 ARG 109 -0.602 10.915 -0.529 494 HB3 ARG 109 HB3 ARG 109 -1.810 11.320 0.680 495 HG2 ARG 109 HG2 ARG 109 -0.704 13.343 0.024 496 HG3 ARG 109 HG3 ARG 109 -0.351 12.983 1.710 497 HD2 ARG 109 HD2 ARG 109 1.886 12.073 1.009 498 HD3 ARG 109 HD3 ARG 109 1.545 12.568 -0.647 499 HE ARG 109 HE ARG 109 2.224 14.248 1.676 500 HH11 ARG 109 HH11 ARG 109 0.964 14.415 -1.598 501 HH12 ARG 109 HH12 ARG 109 1.368 16.101 -1.754 502 HH21 ARG 109 HH21 ARG 109 2.695 16.380 1.410 503 HH22 ARG 109 HH22 ARG 109 2.319 17.187 -0.081 504 H TYR 110 H TYR 110 -0.665 8.020 0.329 505 HA TYR 110 HA TYR 110 -2.866 7.159 2.153 506 HB2 TYR 110 HB2 TYR 110 -2.799 6.955 -0.868 507 HB3 TYR 110 HB3 TYR 110 -4.124 6.553 0.215 508 HD1 TYR 110 HD2 TYR 110 -5.010 8.526 1.742 509 HD2 TYR 110 HD1 TYR 110 -2.754 9.061 -1.888 510 HE1 TYR 110 HE2 TYR 110 -5.962 10.821 1.485 511 HE2 TYR 110 HE1 TYR 110 -3.711 11.346 -2.152 512 HH TYR 110 HH TYR 110 -5.106 12.959 -1.258 513 HA PRO 111 HA PRO 111 0.473 4.001 1.827 514 HB2 PRO 111 HB2 PRO 111 0.332 2.924 4.347 515 HB3 PRO 111 HB3 PRO 111 1.123 4.486 3.972 516 HG2 PRO 111 HG2 PRO 111 -1.706 4.033 4.981 517 HG3 PRO 111 HG3 PRO 111 -0.465 5.150 5.638 518 HD2 PRO 111 HD2 PRO 111 -2.373 6.026 3.938 519 HD3 PRO 111 HD3 PRO 111 -0.690 6.627 3.793 520 H HIS 112 H HIS 112 -2.924 3.502 2.282 521 HA HIS 112 HA HIS 112 -2.859 0.592 2.211 522 HB2 HIS 112 HB2 HIS 112 -5.219 0.732 2.169 523 HB3 HIS 112 HB3 HIS 112 -4.590 1.869 3.351 524 HD2 HIS 112 HD2 HIS 112 -6.922 1.638 0.486 525 HE1 HIS 112 HE1 HIS 112 -6.208 5.812 0.841 526 HE2 HIS 112 HE2 HIS 112 -7.702 4.070 -0.202 527 H LEU 113 H LEU 113 -2.296 2.898 -0.266 528 HA LEU 113 HA LEU 113 -3.481 1.246 -2.398 529 HB2 LEU 113 HB2 LEU 113 -1.959 3.868 -2.411 530 HB3 LEU 113 HB3 LEU 113 -2.297 2.987 -3.887 531 HG LEU 113 HG LEU 113 -3.897 4.783 -3.605 532 HD11 LEU 113 HD11 LEU 113 -5.313 2.132 -3.088 533 HD12 LEU 113 HD12 LEU 113 -6.001 3.593 -3.782 534 HD13 LEU 113 HD13 LEU 113 -4.741 2.694 -4.677 535 HD21 LEU 113 HD21 LEU 113 -3.828 4.813 -1.119 536 HD22 LEU 113 HD22 LEU 113 -5.460 4.907 -1.828 537 HD23 LEU 113 HD23 LEU 113 -4.875 3.389 -1.126 538 H ARG 114 H ARG 114 -0.195 1.685 -1.065 539 HA ARG 114 HA ARG 114 1.053 0.078 -3.148 540 HB2 ARG 114 HB2 ARG 114 3.048 0.390 -2.023 541 HB3 ARG 114 HB3 ARG 114 2.158 1.854 -1.698 542 HG2 ARG 114 HG2 ARG 114 2.601 1.539 0.497 543 HG3 ARG 114 HG3 ARG 114 1.441 0.214 0.466 544 HD2 ARG 114 HD2 ARG 114 3.563 -1.166 -0.443 545 HD3 ARG 114 HD3 ARG 114 4.456 0.146 0.303 546 HE ARG 114 HE ARG 114 3.796 -0.592 2.426 547 HH11 ARG 114 HH11 ARG 114 2.049 -2.468 0.005 548 HH12 ARG 114 HH12 ARG 114 1.613 -3.698 1.170 549 HH21 ARG 114 HH21 ARG 114 3.158 -2.184 3.841 550 HH22 ARG 114 HH22 ARG 114 2.213 -3.531 3.281
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