NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
559984 | 2m4g | 19002 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 11 HT1 GLY 11 -24.408 4.367 14.697 2 H2 GLY 11 HT2 GLY 11 -23.018 4.652 13.777 3 H3 GLY 11 HT3 GLY 11 -22.951 3.616 15.111 4 HA2 GLY 11 HA1 GLY 11 -22.975 2.357 13.062 5 HA3 GLY 11 HA2 GLY 11 -24.411 2.049 14.026 6 H ARG 12 HN ARG 12 -23.786 1.963 11.055 7 HA ARG 12 HA ARG 12 -26.302 3.095 10.236 8 HB2 ARG 12 HB2 ARG 12 -25.531 4.588 8.566 9 HB3 ARG 12 HB1 ARG 12 -24.629 4.990 10.015 10 HG2 ARG 12 HG2 ARG 12 -23.582 3.316 7.738 11 HG3 ARG 12 HG1 ARG 12 -23.257 5.033 7.971 12 HD2 ARG 12 HD2 ARG 12 -22.277 4.443 10.204 13 HD3 ARG 12 HD1 ARG 12 -22.434 2.747 9.749 14 HE ARG 12 HE ARG 12 -20.969 4.387 7.869 15 HH11 ARG 12 HH11 ARG 12 -20.769 2.300 10.680 16 HH12 ARG 12 HH12 ARG 12 -19.095 1.922 10.429 17 HH21 ARG 12 HH21 ARG 12 -18.761 3.917 7.570 18 HH22 ARG 12 HH22 ARG 12 -17.946 2.854 8.674 19 HA PRO 13 HA PRO 13 -25.973 -0.469 7.672 20 HB2 PRO 13 HB2 PRO 13 -28.090 0.395 5.938 21 HB3 PRO 13 HB1 PRO 13 -28.187 -0.736 7.287 22 HG2 PRO 13 HG2 PRO 13 -29.366 1.762 7.235 23 HG3 PRO 13 HG1 PRO 13 -28.991 0.847 8.705 24 HD2 PRO 13 HD2 PRO 13 -27.502 3.110 7.445 25 HD3 PRO 13 HD1 PRO 13 -27.751 2.730 9.161 26 H GLY 14 HN GLY 14 -23.924 0.903 6.916 27 HA2 GLY 14 HA2 GLY 14 -24.168 1.628 4.095 28 HA3 GLY 14 HA1 GLY 14 -22.746 1.847 5.106 29 H VAL 15 HN VAL 15 -24.403 -0.225 2.939 30 HA VAL 15 HA VAL 15 -23.183 -2.683 3.511 31 HB VAL 15 HB VAL 15 -23.695 -3.288 1.142 32 HG11 VAL 15 HG11 VAL 15 -25.896 -1.941 2.698 33 HG12 VAL 15 HG12 VAL 15 -25.361 -3.611 2.869 34 HG13 VAL 15 HG13 VAL 15 -26.139 -3.081 1.378 35 HG21 VAL 15 HG21 VAL 15 -24.871 -1.717 -0.279 36 HG22 VAL 15 HG22 VAL 15 -23.302 -1.046 0.174 37 HG23 VAL 15 HG23 VAL 15 -24.768 -0.474 0.968 38 H PHE 16 HN PHE 16 -22.159 0.021 1.533 39 HA PHE 16 HA PHE 16 -19.473 -1.142 1.404 40 HB2 PHE 16 HB2 PHE 16 -20.566 -1.574 -0.760 41 HB3 PHE 16 HB1 PHE 16 -20.943 0.138 -0.916 42 HD1 PHE 16 HD2 PHE 16 -18.153 -2.286 -0.736 43 HD2 PHE 16 HD1 PHE 16 -19.391 1.635 -1.832 44 HE1 PHE 16 HE2 PHE 16 -15.998 -1.924 -1.858 45 HE2 PHE 16 HE1 PHE 16 -17.234 2.002 -2.958 46 HZ PHE 16 HZ PHE 16 -15.537 0.222 -2.970 47 H ARG 17 HN ARG 17 -18.116 0.260 2.326 48 HA ARG 17 HA ARG 17 -18.928 3.050 2.438 49 HB2 ARG 17 HB2 ARG 17 -16.877 1.517 4.029 50 HB3 ARG 17 HB1 ARG 17 -16.997 3.268 4.091 51 HG2 ARG 17 HG2 ARG 17 -18.182 2.448 5.956 52 HG3 ARG 17 HG1 ARG 17 -19.400 2.963 4.787 53 HD2 ARG 17 HD2 ARG 17 -20.076 0.851 5.673 54 HD3 ARG 17 HD1 ARG 17 -19.541 0.620 4.003 55 HE ARG 17 HE ARG 17 -17.382 0.194 5.775 56 HH11 ARG 17 HH11 ARG 17 -20.369 -1.338 4.773 57 HH12 ARG 17 HH12 ARG 17 -19.782 -2.944 5.073 58 HH21 ARG 17 HH21 ARG 17 -16.633 -1.904 6.198 59 HH22 ARG 17 HH22 ARG 17 -17.660 -3.268 5.891 60 H THR 18 HN THR 18 -16.899 4.594 2.421 61 HA THR 18 HA THR 18 -14.972 3.727 0.402 62 HB THR 18 HB THR 18 -15.260 6.085 -0.630 63 HG1 THR 18 HG1 THR 18 -17.622 6.615 -0.507 64 HG21 THR 18 HG21 THR 18 -16.950 5.252 -2.194 65 HG22 THR 18 HG22 THR 18 -17.334 3.941 -1.078 66 HG23 THR 18 HG23 THR 18 -15.740 4.022 -1.830 67 H ARG 19 HN ARG 19 -15.894 5.967 2.918 68 HA ARG 19 HA ARG 19 -14.737 7.297 4.332 69 HB2 ARG 19 HB2 ARG 19 -13.129 5.587 4.763 70 HB3 ARG 19 HB1 ARG 19 -12.348 5.838 3.208 71 HG2 ARG 19 HG2 ARG 19 -11.688 8.106 3.959 72 HG3 ARG 19 HG1 ARG 19 -12.358 7.733 5.547 73 HD2 ARG 19 HD2 ARG 19 -10.738 6.079 5.957 74 HD3 ARG 19 HD1 ARG 19 -10.257 6.014 4.260 75 HE ARG 19 HE ARG 19 -9.837 8.600 5.408 76 HH11 ARG 19 HH11 ARG 19 -8.472 5.382 5.260 77 HH12 ARG 19 HH12 ARG 19 -6.826 5.936 5.410 78 HH21 ARG 19 HH21 ARG 19 -7.680 9.324 5.574 79 HH22 ARG 19 HH22 ARG 19 -6.377 8.171 5.535 80 H GLY 20 HN GLY 20 -12.957 7.090 1.288 81 HA2 GLY 20 HA2 GLY 20 -13.601 9.524 0.199 82 HA3 GLY 20 HA1 GLY 20 -12.219 9.849 1.244 83 H LEU 21 HN LEU 21 -13.229 7.319 -1.016 84 HA LEU 21 HA LEU 21 -10.452 7.033 -1.844 85 HB2 LEU 21 HB2 LEU 21 -12.695 5.239 -1.622 86 HB3 LEU 21 HB1 LEU 21 -12.024 5.179 -3.240 87 HG LEU 21 HG LEU 21 -9.764 4.875 -2.108 88 HD11 LEU 21 HD11 LEU 21 -9.786 3.899 0.097 89 HD12 LEU 21 HD12 LEU 21 -11.514 4.219 0.226 90 HD13 LEU 21 HD13 LEU 21 -10.370 5.557 0.102 91 HD21 LEU 21 HD21 LEU 21 -11.904 2.788 -2.063 92 HD22 LEU 21 HD22 LEU 21 -10.209 2.435 -1.740 93 HD23 LEU 21 HD23 LEU 21 -10.693 3.088 -3.304 94 H THR 22 HN THR 22 -9.782 8.126 -3.484 95 HA THR 22 HA THR 22 -11.554 9.138 -5.508 96 HB THR 22 HB THR 22 -9.380 9.931 -6.529 97 HG1 THR 22 HG1 THR 22 -7.517 9.674 -5.274 98 HG21 THR 22 HG21 THR 22 -9.965 10.667 -3.652 99 HG22 THR 22 HG22 THR 22 -10.710 11.378 -5.085 100 HG23 THR 22 HG23 THR 22 -8.993 11.628 -4.770 101 H ASP 23 HN ASP 23 -10.663 8.796 -7.884 102 HA ASP 23 HA ASP 23 -11.264 6.220 -8.652 103 HB2 ASP 23 HB2 ASP 23 -11.322 7.949 -10.296 104 HB3 ASP 23 HB1 ASP 23 -9.625 8.341 -10.048 105 H GLU 24 HN GLU 24 -8.091 7.590 -7.962 106 HA GLU 24 HA GLU 24 -6.598 5.404 -8.934 107 HB2 GLU 24 HB2 GLU 24 -5.859 7.531 -6.924 108 HB3 GLU 24 HB1 GLU 24 -4.720 6.430 -7.694 109 HG2 GLU 24 HG2 GLU 24 -5.216 7.351 -9.857 110 HG3 GLU 24 HG1 GLU 24 -6.481 8.369 -9.171 111 H GLU 25 HN GLU 25 -7.524 6.283 -5.593 112 HA GLU 25 HA GLU 25 -6.340 4.006 -4.392 113 HB2 GLU 25 HB2 GLU 25 -8.726 5.489 -3.327 114 HB3 GLU 25 HB1 GLU 25 -7.547 4.577 -2.410 115 HG2 GLU 25 HG2 GLU 25 -7.094 7.171 -3.858 116 HG3 GLU 25 HG1 GLU 25 -7.157 6.922 -2.113 117 H TYR 26 HN TYR 26 -9.488 4.656 -5.765 118 HA TYR 26 HA TYR 26 -10.705 2.230 -4.918 119 HB2 TYR 26 HB2 TYR 26 -11.949 4.299 -5.582 120 HB3 TYR 26 HB1 TYR 26 -11.461 3.999 -7.242 121 HD1 TYR 26 HD1 TYR 26 -13.373 2.516 -4.420 122 HD2 TYR 26 HD2 TYR 26 -12.709 2.577 -8.621 123 HE1 TYR 26 HE1 TYR 26 -15.336 1.089 -4.750 124 HE2 TYR 26 HE2 TYR 26 -14.664 1.151 -8.960 125 HH TYR 26 HH TYR 26 -16.034 -0.434 -7.734 126 H ASP 27 HN ASP 27 -8.950 3.236 -7.806 127 HA ASP 27 HA ASP 27 -9.458 0.897 -9.321 128 HB2 ASP 27 HB2 ASP 27 -8.527 3.129 -10.162 129 HB3 ASP 27 HB1 ASP 27 -6.975 2.626 -9.509 130 H GLU 28 HN GLU 28 -6.835 1.856 -7.146 131 HA GLU 28 HA GLU 28 -5.294 -0.475 -7.223 132 HB2 GLU 28 HB2 GLU 28 -4.577 1.588 -6.123 133 HB3 GLU 28 HB1 GLU 28 -5.862 1.422 -4.942 134 HG2 GLU 28 HG2 GLU 28 -3.988 0.702 -3.828 135 HG3 GLU 28 HG1 GLU 28 -4.766 -0.792 -4.335 136 H PHE 29 HN PHE 29 -8.020 0.461 -5.207 137 HA PHE 29 HA PHE 29 -8.298 -1.857 -3.674 138 HB2 PHE 29 HB2 PHE 29 -9.479 0.098 -3.047 139 HB3 PHE 29 HB1 PHE 29 -10.254 0.234 -4.620 140 HD1 PHE 29 HD1 PHE 29 -9.950 -2.393 -2.009 141 HD2 PHE 29 HD2 PHE 29 -12.500 -0.151 -4.555 142 HE1 PHE 29 HE1 PHE 29 -11.887 -3.577 -1.092 143 HE2 PHE 29 HE2 PHE 29 -14.451 -1.340 -3.649 144 HZ PHE 29 HZ PHE 29 -14.138 -3.057 -1.914 145 H LYS 30 HN LYS 30 -9.704 -1.034 -6.843 146 HA LYS 30 HA LYS 30 -11.239 -3.368 -7.135 147 HB2 LYS 30 HB2 LYS 30 -9.916 -1.664 -9.261 148 HB3 LYS 30 HB1 LYS 30 -11.104 -2.916 -9.587 149 HG2 LYS 30 HG2 LYS 30 -12.706 -1.642 -8.150 150 HG3 LYS 30 HG1 LYS 30 -11.521 -0.345 -8.092 151 HD2 LYS 30 HD2 LYS 30 -12.613 -1.475 -10.659 152 HD3 LYS 30 HD1 LYS 30 -13.327 -0.094 -9.830 153 HE2 LYS 30 HE2 LYS 30 -11.305 1.172 -10.082 154 HE3 LYS 30 HE1 LYS 30 -10.456 -0.229 -10.732 155 HZ1 LYS 30 HZ1 LYS 30 -12.759 1.129 -12.015 156 HZ2 LYS 30 HZ2 LYS 30 -11.911 -0.189 -12.646 157 HZ3 LYS 30 HZ3 LYS 30 -11.143 1.308 -12.469 158 H LYS 31 HN LYS 31 -7.940 -2.615 -8.195 159 HA LYS 31 HA LYS 31 -7.287 -5.071 -9.332 160 HB2 LYS 31 HB2 LYS 31 -5.609 -3.021 -7.908 161 HB3 LYS 31 HB1 LYS 31 -4.923 -4.443 -8.675 162 HG2 LYS 31 HG2 LYS 31 -5.727 -3.741 -10.827 163 HG3 LYS 31 HG1 LYS 31 -6.589 -2.385 -10.099 164 HD2 LYS 31 HD2 LYS 31 -4.458 -1.719 -11.153 165 HD3 LYS 31 HD1 LYS 31 -4.509 -1.370 -9.426 166 HE2 LYS 31 HE2 LYS 31 -2.349 -2.298 -10.067 167 HE3 LYS 31 HE1 LYS 31 -3.207 -3.384 -8.976 168 HZ1 LYS 31 HZ1 LYS 31 -3.171 -3.689 -11.925 169 HZ2 LYS 31 HZ2 LYS 31 -3.795 -4.781 -10.796 170 HZ3 LYS 31 HZ3 LYS 31 -2.133 -4.508 -10.875 171 H ARG 32 HN ARG 32 -6.895 -3.935 -6.012 172 HA ARG 32 HA ARG 32 -5.773 -6.305 -4.991 173 HB2 ARG 32 HB2 ARG 32 -7.162 -3.989 -3.712 174 HB3 ARG 32 HB1 ARG 32 -6.506 -5.308 -2.768 175 HG2 ARG 32 HG2 ARG 32 -4.293 -4.866 -3.764 176 HG3 ARG 32 HG1 ARG 32 -4.984 -3.497 -4.625 177 HD2 ARG 32 HD2 ARG 32 -5.638 -2.578 -2.358 178 HD3 ARG 32 HD1 ARG 32 -4.611 -3.832 -1.660 179 HE ARG 32 HE ARG 32 -3.335 -2.217 -3.680 180 HH11 ARG 32 HH11 ARG 32 -3.907 -2.641 -0.257 181 HH12 ARG 32 HH12 ARG 32 -2.644 -1.559 0.222 182 HH21 ARG 32 HH21 ARG 32 -1.703 -0.771 -3.085 183 HH22 ARG 32 HH22 ARG 32 -1.384 -0.466 -1.396 184 H ARG 33 HN ARG 33 -9.065 -5.216 -5.369 185 HA ARG 33 HA ARG 33 -10.250 -7.356 -3.900 186 HB2 ARG 33 HB2 ARG 33 -11.441 -5.292 -4.135 187 HB3 ARG 33 HB1 ARG 33 -11.368 -5.381 -5.884 188 HG2 ARG 33 HG2 ARG 33 -12.993 -7.030 -5.991 189 HG3 ARG 33 HG1 ARG 33 -12.778 -7.494 -4.302 190 HD2 ARG 33 HD2 ARG 33 -13.741 -5.436 -3.557 191 HD3 ARG 33 HD1 ARG 33 -13.853 -4.827 -5.204 192 HE ARG 33 HE ARG 33 -15.390 -6.892 -5.487 193 HH11 ARG 33 HH11 ARG 33 -15.111 -4.956 -2.588 194 HH12 ARG 33 HH12 ARG 33 -16.764 -5.194 -2.115 195 HH21 ARG 33 HH21 ARG 33 -17.564 -7.217 -4.863 196 HH22 ARG 33 HH22 ARG 33 -18.157 -6.469 -3.414 197 H GLU 34 HN GLU 34 -9.539 -6.819 -7.324 198 HA GLU 34 HA GLU 34 -10.684 -9.202 -8.292 199 HB2 GLU 34 HB2 GLU 34 -9.908 -7.396 -9.768 200 HB3 GLU 34 HB1 GLU 34 -8.246 -7.711 -9.289 201 HG2 GLU 34 HG2 GLU 34 -8.438 -9.977 -10.250 202 HG3 GLU 34 HG1 GLU 34 -10.059 -9.570 -10.809 203 H SER 35 HN SER 35 -7.550 -8.463 -6.885 204 HA SER 35 HA SER 35 -6.265 -10.914 -7.173 205 HB2 SER 35 HB2 SER 35 -5.158 -8.873 -6.370 206 HB3 SER 35 HB1 SER 35 -6.101 -8.935 -4.883 207 HG SER 35 HG SER 35 -3.833 -9.853 -4.973 208 H ARG 36 HN ARG 36 -8.781 -9.920 -4.970 209 HA ARG 36 HA ARG 36 -8.596 -12.431 -3.479 210 HB2 ARG 36 HB2 ARG 36 -9.925 -9.811 -3.007 211 HB3 ARG 36 HB1 ARG 36 -10.590 -11.221 -2.223 212 HG2 ARG 36 HG2 ARG 36 -9.170 -10.473 -0.601 213 HG3 ARG 36 HG1 ARG 36 -8.092 -11.573 -1.472 214 HD2 ARG 36 HD2 ARG 36 -7.308 -9.643 -2.801 215 HD3 ARG 36 HD1 ARG 36 -8.301 -8.597 -1.807 216 HE ARG 36 HE ARG 36 -6.771 -9.861 0.016 217 HH11 ARG 36 HH11 ARG 36 -6.005 -8.179 -2.955 218 HH12 ARG 36 HH12 ARG 36 -4.477 -7.585 -2.379 219 HH21 ARG 36 HH21 ARG 36 -4.752 -9.063 0.785 220 HH22 ARG 36 HH22 ARG 36 -3.769 -8.087 -0.261 221 H GLY 37 HN GLY 37 -9.770 -11.825 -6.324 222 HA2 GLY 37 HA2 GLY 37 -11.417 -12.770 -7.619 223 HA3 GLY 37 HA1 GLY 37 -11.704 -13.877 -6.287 224 H GLY 38 HN GLY 38 -11.991 -10.434 -5.869 225 HA2 GLY 38 HA2 GLY 38 -13.927 -9.099 -5.903 226 HA3 GLY 38 HA1 GLY 38 -14.894 -10.541 -6.136 227 H LYS 39 HN LYS 39 -13.071 -11.629 -3.824 228 HA LYS 39 HA LYS 39 -14.947 -10.887 -1.741 229 HB2 LYS 39 HB2 LYS 39 -12.657 -12.841 -1.713 230 HB3 LYS 39 HB1 LYS 39 -13.835 -12.623 -0.422 231 HG2 LYS 39 HG2 LYS 39 -15.536 -13.071 -2.385 232 HG3 LYS 39 HG1 LYS 39 -14.139 -13.904 -3.072 233 HD2 LYS 39 HD2 LYS 39 -13.919 -15.215 -1.014 234 HD3 LYS 39 HD1 LYS 39 -15.335 -14.389 -0.356 235 HE2 LYS 39 HE2 LYS 39 -16.714 -15.301 -2.139 236 HE3 LYS 39 HE1 LYS 39 -15.306 -16.094 -2.843 237 HZ1 LYS 39 HZ1 LYS 39 -15.099 -17.430 -0.845 238 HZ2 LYS 39 HZ2 LYS 39 -16.633 -17.628 -1.526 239 HZ3 LYS 39 HZ3 LYS 39 -16.437 -16.658 -0.154 240 H TYR 40 HN TYR 40 -13.881 -8.641 -2.122 241 HA TYR 40 HA TYR 40 -11.976 -8.229 0.051 242 HB2 TYR 40 HB2 TYR 40 -10.772 -8.451 -2.200 243 HB3 TYR 40 HB1 TYR 40 -11.535 -6.928 -2.621 244 HD1 TYR 40 HD1 TYR 40 -9.744 -8.281 0.356 245 HD2 TYR 40 HD2 TYR 40 -10.097 -5.129 -2.477 246 HE1 TYR 40 HE1 TYR 40 -7.904 -7.101 1.461 247 HE2 TYR 40 HE2 TYR 40 -8.248 -3.928 -1.378 248 HH TYR 40 HH TYR 40 -7.117 -3.865 0.805 249 H SER 41 HN SER 41 -13.429 -7.041 1.267 250 HA SER 41 HA SER 41 -15.187 -5.173 -0.062 251 HB2 SER 41 HB2 SER 41 -15.163 -4.859 2.768 252 HB3 SER 41 HB1 SER 41 -16.467 -5.413 1.734 253 HG SER 41 HG SER 41 -14.373 -6.985 2.864 254 H ILE 42 HN ILE 42 -15.353 -2.891 0.909 255 HA ILE 42 HA ILE 42 -12.893 -1.620 0.398 256 HB ILE 42 HB ILE 42 -15.245 -0.601 0.263 257 HG12 ILE 42 HG12 ILE 42 -14.041 1.630 1.305 258 HG13 ILE 42 HG11 ILE 42 -12.668 0.569 1.026 259 HG21 ILE 42 HG21 ILE 42 -14.620 0.034 3.143 260 HG22 ILE 42 HG22 ILE 42 -15.866 -1.095 2.599 261 HG23 ILE 42 HG23 ILE 42 -16.002 0.620 2.210 262 HD11 ILE 42 HD11 ILE 42 -13.321 0.346 -1.305 263 HD12 ILE 42 HD12 ILE 42 -13.018 2.022 -0.844 264 HD13 ILE 42 HD13 ILE 42 -14.677 1.443 -1.017 265 H ASP 43 HN ASP 43 -14.404 -2.727 3.360 266 HA ASP 43 HA ASP 43 -12.783 -1.240 5.132 267 HB2 ASP 43 HB2 ASP 43 -14.907 -2.213 5.834 268 HB3 ASP 43 HB1 ASP 43 -14.257 -3.823 5.585 269 H ASP 44 HN ASP 44 -12.410 -4.375 3.587 270 HA ASP 44 HA ASP 44 -10.069 -5.166 4.964 271 HB2 ASP 44 HB2 ASP 44 -10.876 -5.801 2.117 272 HB3 ASP 44 HB1 ASP 44 -9.632 -6.622 3.042 273 H TYR 45 HN TYR 45 -10.667 -3.234 2.085 274 HA TYR 45 HA TYR 45 -7.938 -2.702 1.512 275 HB2 TYR 45 HB2 TYR 45 -9.596 -2.395 -0.215 276 HB3 TYR 45 HB1 TYR 45 -10.448 -1.197 0.750 277 HD1 TYR 45 HD2 TYR 45 -7.348 -1.857 -1.153 278 HD2 TYR 45 HD1 TYR 45 -9.757 1.092 0.766 279 HE1 TYR 45 HE2 TYR 45 -5.966 -0.088 -2.165 280 HE2 TYR 45 HE1 TYR 45 -8.350 2.874 -0.247 281 HH TYR 45 HH TYR 45 -6.159 2.292 -2.742 282 H LEU 46 HN LEU 46 -10.436 -0.962 3.279 283 HA LEU 46 HA LEU 46 -8.953 1.345 3.838 284 HB2 LEU 46 HB2 LEU 46 -11.286 0.076 5.262 285 HB3 LEU 46 HB1 LEU 46 -10.660 1.655 5.663 286 HG LEU 46 HG LEU 46 -11.799 0.903 2.973 287 HD11 LEU 46 HD11 LEU 46 -13.481 0.945 4.775 288 HD12 LEU 46 HD12 LEU 46 -13.708 2.233 3.593 289 HD13 LEU 46 HD13 LEU 46 -12.989 2.593 5.162 290 HD21 LEU 46 HD21 LEU 46 -10.911 3.546 4.116 291 HD22 LEU 46 HD22 LEU 46 -11.753 3.330 2.583 292 HD23 LEU 46 HD23 LEU 46 -10.139 2.654 2.803 293 H ALA 47 HN ALA 47 -9.188 -1.747 5.479 294 HA ALA 47 HA ALA 47 -7.740 -1.080 7.810 295 HB1 ALA 47 HB1 ALA 47 -7.366 -3.518 7.994 296 HB2 ALA 47 HB2 ALA 47 -7.997 -3.723 6.356 297 HB3 ALA 47 HB3 ALA 47 -9.049 -3.124 7.641 298 H ASP 48 HN ASP 48 -6.667 -2.428 4.687 299 HA ASP 48 HA ASP 48 -3.895 -2.298 5.484 300 HB2 ASP 48 HB2 ASP 48 -4.855 -3.981 3.840 301 HB3 ASP 48 HB1 ASP 48 -4.966 -2.662 2.677 302 H ARG 49 HN ARG 49 -6.197 -0.196 4.066 303 HA ARG 49 HA ARG 49 -4.446 1.695 2.885 304 HB2 ARG 49 HB2 ARG 49 -6.913 1.613 2.511 305 HB3 ARG 49 HB1 ARG 49 -7.140 2.181 4.157 306 HG2 ARG 49 HG2 ARG 49 -6.079 4.267 3.646 307 HG3 ARG 49 HG1 ARG 49 -5.652 3.694 2.031 308 HD2 ARG 49 HD2 ARG 49 -7.981 3.544 1.437 309 HD3 ARG 49 HD1 ARG 49 -8.464 4.034 3.051 310 HE ARG 49 HE ARG 49 -8.071 6.210 2.470 311 HH11 ARG 49 HH11 ARG 49 -6.480 4.122 0.159 312 HH12 ARG 49 HH12 ARG 49 -5.936 5.427 -0.849 313 HH21 ARG 49 HH21 ARG 49 -7.377 7.933 1.137 314 HH22 ARG 49 HH22 ARG 49 -6.459 7.594 -0.294 315 H GLU 50 HN GLU 50 -5.816 1.235 6.087 316 HA GLU 50 HA GLU 50 -4.639 3.378 7.436 317 HB2 GLU 50 HB2 GLU 50 -5.404 0.597 8.334 318 HB3 GLU 50 HB1 GLU 50 -4.815 1.834 9.444 319 HG2 GLU 50 HG2 GLU 50 -7.250 2.085 7.701 320 HG3 GLU 50 HG1 GLU 50 -7.265 1.632 9.401 321 H ARG 51 HN ARG 51 -3.272 0.564 6.061 322 HA ARG 51 HA ARG 51 -0.777 0.796 7.531 323 HB2 ARG 51 HB2 ARG 51 -1.373 -0.971 5.159 324 HB3 ARG 51 HB1 ARG 51 -0.036 -1.126 6.288 325 HG2 ARG 51 HG2 ARG 51 -2.921 -1.443 7.050 326 HG3 ARG 51 HG1 ARG 51 -1.869 -2.781 6.597 327 HD2 ARG 51 HD2 ARG 51 -1.967 -2.641 8.982 328 HD3 ARG 51 HD1 ARG 51 -0.360 -2.153 8.450 329 HE ARG 51 HE ARG 51 -2.278 -0.019 8.904 330 HH11 ARG 51 HH11 ARG 51 0.394 -1.894 10.184 331 HH12 ARG 51 HH12 ARG 51 0.829 -0.696 11.363 332 HH21 ARG 51 HH21 ARG 51 -1.696 1.559 10.442 333 HH22 ARG 51 HH22 ARG 51 -0.358 1.268 11.508 334 H GLU 52 HN GLU 52 -1.923 1.035 4.213 335 HA GLU 52 HA GLU 52 0.381 1.733 2.899 336 HB2 GLU 52 HB2 GLU 52 -2.447 2.630 2.387 337 HB3 GLU 52 HB1 GLU 52 -1.117 2.938 1.281 338 HG2 GLU 52 HG2 GLU 52 -1.918 0.185 2.173 339 HG3 GLU 52 HG1 GLU 52 -2.549 0.966 0.722 340 H GLU 53 HN GLU 53 -1.812 3.909 4.640 341 HA GLU 53 HA GLU 53 -0.465 6.282 3.817 342 HB2 GLU 53 HB2 GLU 53 -2.230 5.886 6.237 343 HB3 GLU 53 HB1 GLU 53 -1.841 7.416 5.457 344 HG2 GLU 53 HG2 GLU 53 -3.018 6.731 3.459 345 HG3 GLU 53 HG1 GLU 53 -3.346 5.153 4.176 346 H GLU 54 HN GLU 54 -0.180 4.125 6.555 347 HA GLU 54 HA GLU 54 1.721 5.672 8.009 348 HB2 GLU 54 HB2 GLU 54 0.356 3.866 9.026 349 HB3 GLU 54 HB1 GLU 54 1.218 2.688 8.045 350 HG2 GLU 54 HG2 GLU 54 2.107 2.649 10.255 351 HG3 GLU 54 HG1 GLU 54 3.314 3.344 9.176 352 H LEU 55 HN LEU 55 1.821 3.384 5.450 353 HA LEU 55 HA LEU 55 4.698 3.016 5.585 354 HB2 LEU 55 HB2 LEU 55 2.695 1.897 3.622 355 HB3 LEU 55 HB1 LEU 55 4.351 1.359 3.838 356 HG LEU 55 HG LEU 55 2.176 1.135 5.920 357 HD11 LEU 55 HD11 LEU 55 2.163 -1.233 5.454 358 HD12 LEU 55 HD12 LEU 55 3.384 -1.020 4.197 359 HD13 LEU 55 HD13 LEU 55 1.775 -0.324 3.994 360 HD21 LEU 55 HD21 LEU 55 3.774 -0.312 7.090 361 HD22 LEU 55 HD22 LEU 55 4.364 1.341 6.923 362 HD23 LEU 55 HD23 LEU 55 4.994 0.070 5.873 363 H LEU 56 HN LEU 56 2.625 5.222 4.334 364 HA LEU 56 HA LEU 56 3.798 5.714 1.768 365 HB2 LEU 56 HB2 LEU 56 1.445 6.268 2.397 366 HB3 LEU 56 HB1 LEU 56 2.059 7.496 3.478 367 HG LEU 56 HG LEU 56 3.023 8.691 1.539 368 HD11 LEU 56 HD11 LEU 56 2.327 8.054 -0.716 369 HD12 LEU 56 HD12 LEU 56 1.559 6.604 -0.071 370 HD13 LEU 56 HD13 LEU 56 3.308 6.794 0.034 371 HD21 LEU 56 HD21 LEU 56 0.889 9.504 0.667 372 HD22 LEU 56 HD22 LEU 56 0.836 9.300 2.418 373 HD23 LEU 56 HD23 LEU 56 0.070 8.108 1.368 374 H GLU 57 HN GLU 57 4.433 6.608 5.011 375 HA GLU 57 HA GLU 57 6.585 8.401 4.141 376 HB2 GLU 57 HB2 GLU 57 4.750 8.944 6.484 377 HB3 GLU 57 HB1 GLU 57 6.063 9.967 5.925 378 HG2 GLU 57 HG2 GLU 57 4.868 10.421 3.868 379 HG3 GLU 57 HG1 GLU 57 3.568 9.334 4.361 380 H ARG 58 HN ARG 58 8.249 8.665 5.829 381 HA ARG 58 HA ARG 58 9.715 7.881 7.371 382 HB2 ARG 58 HB2 ARG 58 7.218 6.618 8.453 383 HB3 ARG 58 HB1 ARG 58 8.786 6.296 9.175 384 HG2 ARG 58 HG2 ARG 58 7.763 8.022 10.436 385 HG3 ARG 58 HG1 ARG 58 9.054 8.765 9.494 386 HD2 ARG 58 HD2 ARG 58 7.305 9.390 7.798 387 HD3 ARG 58 HD1 ARG 58 6.092 8.857 8.961 388 HE ARG 58 HE ARG 58 7.918 10.746 10.083 389 HH11 ARG 58 HH11 ARG 58 5.017 10.412 8.163 390 HH12 ARG 58 HH12 ARG 58 4.459 12.019 8.490 391 HH21 ARG 58 HH21 ARG 58 7.198 12.860 10.520 392 HH22 ARG 58 HH22 ARG 58 5.709 13.421 9.826 393 H ASP 59 HN ASP 59 10.867 5.975 8.121 394 HA ASP 59 HA ASP 59 11.800 3.914 7.941 395 HB2 ASP 59 HB2 ASP 59 9.282 3.284 7.878 396 HB3 ASP 59 HB1 ASP 59 9.569 2.984 6.169 397 H GLU 60 HN GLU 60 10.156 4.373 4.814 398 HA GLU 60 HA GLU 60 12.299 3.325 3.277 399 HB2 GLU 60 HB2 GLU 60 9.958 5.047 2.438 400 HB3 GLU 60 HB1 GLU 60 11.003 4.150 1.345 401 HG2 GLU 60 HG2 GLU 60 9.310 2.890 3.491 402 HG3 GLU 60 HG1 GLU 60 8.831 3.049 1.801 403 H GLU 61 HN GLU 61 11.802 6.331 4.721 404 HA GLU 61 HA GLU 61 13.318 7.903 2.860 405 HB2 GLU 61 HB2 GLU 61 12.365 8.468 5.670 406 HB3 GLU 61 HB1 GLU 61 13.194 9.639 4.654 407 HG2 GLU 61 HG2 GLU 61 10.568 8.319 4.011 408 HG3 GLU 61 HG1 GLU 61 10.768 9.947 4.654 409 H GLU 62 HN GLU 62 14.177 5.526 4.885 410 HA GLU 62 HA GLU 62 16.189 4.666 5.455 411 HB2 GLU 62 HB2 GLU 62 17.092 5.757 3.437 412 HB3 GLU 62 HB1 GLU 62 17.401 7.213 4.374 413 HG2 GLU 62 HG2 GLU 62 18.927 5.914 5.816 414 HG3 GLU 62 HG1 GLU 62 18.671 4.516 4.775 415 H ALA 63 HN ALA 63 16.718 4.424 7.471 416 HA ALA 63 HA ALA 63 17.512 4.781 9.557 417 HB1 ALA 63 HB1 ALA 63 18.093 7.600 8.674 418 HB2 ALA 63 HB2 ALA 63 19.183 6.226 8.493 419 HB3 ALA 63 HB3 ALA 63 18.735 6.789 10.102 420 H ILE 64 HN ILE 64 14.780 4.938 9.154 421 HA ILE 64 HA ILE 64 14.067 6.786 11.335 422 HB ILE 64 HB ILE 64 12.295 5.832 9.084 423 HG12 ILE 64 HG12 ILE 64 12.073 8.481 8.999 424 HG13 ILE 64 HG11 ILE 64 13.675 8.386 9.720 425 HG21 ILE 64 HG21 ILE 64 11.582 7.504 11.484 426 HG22 ILE 64 HG22 ILE 64 11.009 5.874 11.128 427 HG23 ILE 64 HG23 ILE 64 10.539 7.222 10.090 428 HD11 ILE 64 HD11 ILE 64 13.763 8.598 7.297 429 HD12 ILE 64 HD12 ILE 64 12.855 7.093 7.139 430 HD13 ILE 64 HD13 ILE 64 14.467 7.079 7.853 431 H PHE 65 HN PHE 65 13.876 3.597 10.006 432 HA PHE 65 HA PHE 65 12.080 2.586 12.013 433 HB2 PHE 65 HB2 PHE 65 12.571 0.372 10.907 434 HB3 PHE 65 HB1 PHE 65 11.882 1.598 9.852 435 HD1 PHE 65 HD2 PHE 65 13.502 2.909 8.358 436 HD2 PHE 65 HD1 PHE 65 14.541 -0.720 10.323 437 HE1 PHE 65 HE2 PHE 65 15.340 2.582 6.764 438 HE2 PHE 65 HE1 PHE 65 16.383 -1.054 8.728 439 HZ PHE 65 HZ PHE 65 16.783 0.595 6.944 440 H GLY 66 HN GLY 66 13.889 3.646 13.485 441 HA2 GLY 66 HA2 GLY 66 14.857 2.495 15.451 442 HA3 GLY 66 HA1 GLY 66 15.713 1.474 14.304 443 H ASP 67 HN ASP 67 17.652 2.170 15.408 444 HA ASP 67 HA ASP 67 18.438 4.942 14.983 445 HB2 ASP 67 HB2 ASP 67 19.739 2.646 16.447 446 HB3 ASP 67 HB1 ASP 67 20.565 4.175 16.168 447 H GLY 68 HN GLY 68 18.450 2.161 13.220 448 HA2 GLY 68 HA2 GLY 68 20.814 3.049 11.691 449 HA3 GLY 68 HA1 GLY 68 20.459 1.347 11.951 450 H PHE 69 HN PHE 69 20.711 1.651 9.488 451 HA PHE 69 HA PHE 69 18.013 1.669 8.391 452 HB2 PHE 69 HB2 PHE 69 18.733 3.071 6.456 453 HB3 PHE 69 HB1 PHE 69 18.704 3.949 7.981 454 HD1 PHE 69 HD1 PHE 69 20.808 4.596 9.076 455 HD2 PHE 69 HD2 PHE 69 20.770 2.692 5.271 456 HE1 PHE 69 HE1 PHE 69 23.136 5.294 8.705 457 HE2 PHE 69 HE2 PHE 69 23.098 3.384 4.899 458 HZ PHE 69 HZ PHE 69 24.286 4.687 6.614 459 H GLY 70 HN GLY 70 19.952 -0.369 8.991 460 HA2 GLY 70 HA2 GLY 70 21.615 -1.133 6.898 461 HA3 GLY 70 HA1 GLY 70 20.946 -2.223 8.097 462 H LEU 71 HN LEU 71 18.174 -1.598 7.237 463 HA LEU 71 HA LEU 71 17.770 -3.703 5.463 464 HB2 LEU 71 HB2 LEU 71 16.036 -2.754 6.944 465 HB3 LEU 71 HB1 LEU 71 15.976 -1.322 5.937 466 HG LEU 71 HG LEU 71 15.237 -2.765 4.033 467 HD11 LEU 71 HD11 LEU 71 15.021 -4.859 6.192 468 HD12 LEU 71 HD12 LEU 71 16.118 -4.892 4.812 469 HD13 LEU 71 HD13 LEU 71 14.377 -5.000 4.557 470 HD21 LEU 71 HD21 LEU 71 13.636 -1.483 5.324 471 HD22 LEU 71 HD22 LEU 71 13.525 -2.780 6.512 472 HD23 LEU 71 HD23 LEU 71 12.948 -3.040 4.867 473 H LYS 72 HN LYS 72 18.183 -0.255 4.850 474 HA LYS 72 HA LYS 72 18.306 -0.858 1.975 475 HB2 LYS 72 HB2 LYS 72 16.948 1.451 3.343 476 HB3 LYS 72 HB1 LYS 72 17.451 1.542 1.662 477 HG2 LYS 72 HG2 LYS 72 16.061 -0.452 1.188 478 HG3 LYS 72 HG1 LYS 72 15.488 -0.401 2.856 479 HD2 LYS 72 HD2 LYS 72 14.454 1.718 2.520 480 HD3 LYS 72 HD1 LYS 72 15.233 1.917 0.950 481 HE2 LYS 72 HE2 LYS 72 12.904 1.292 0.669 482 HE3 LYS 72 HE1 LYS 72 13.963 0.013 0.082 483 HZ1 LYS 72 HZ1 LYS 72 12.347 0.069 2.558 484 HZ2 LYS 72 HZ2 LYS 72 13.633 -1.015 2.363 485 HZ3 LYS 72 HZ3 LYS 72 12.318 -1.069 1.303 486 H ALA 73 HN ALA 73 20.442 -0.719 3.923 487 HA ALA 73 HA ALA 73 21.825 1.754 3.623 488 HB1 ALA 73 HB1 ALA 73 22.300 0.240 5.479 489 HB2 ALA 73 HB2 ALA 73 23.754 0.556 4.535 490 HB3 ALA 73 HB3 ALA 73 22.896 -0.974 4.348 491 H THR 74 HN THR 74 23.147 2.437 2.035 492 HA THR 74 HA THR 74 23.175 1.016 -0.436 493 HB THR 74 HB THR 74 24.724 2.916 -1.148 494 HG1 THR 74 HG1 THR 74 23.901 4.381 1.061 495 HG21 THR 74 HG21 THR 74 22.896 4.556 -1.181 496 HG22 THR 74 HG22 THR 74 22.022 3.600 0.016 497 HG23 THR 74 HG23 THR 74 22.325 2.940 -1.591 498 H ARG 75 HN ARG 75 24.207 -0.943 0.236 499 HA ARG 75 HA ARG 75 26.975 -0.894 1.034 500 HB2 ARG 75 HB2 ARG 75 25.317 -3.232 0.067 501 HB3 ARG 75 HB1 ARG 75 26.857 -3.320 0.906 502 HG2 ARG 75 HG2 ARG 75 24.283 -2.267 2.062 503 HG3 ARG 75 HG1 ARG 75 24.985 -3.855 2.374 504 HD2 ARG 75 HD2 ARG 75 27.000 -2.703 3.289 505 HD3 ARG 75 HD1 ARG 75 26.145 -1.170 3.111 506 HE ARG 75 HE ARG 75 24.684 -3.128 4.624 507 HH11 ARG 75 HH11 ARG 75 27.123 -0.623 4.812 508 HH12 ARG 75 HH12 ARG 75 26.880 -0.343 6.507 509 HH21 ARG 75 HH21 ARG 75 24.365 -2.760 6.851 510 HH22 ARG 75 HH22 ARG 75 25.314 -1.557 7.664 511 H ARG 76 HN ARG 76 27.970 0.251 -0.653 512 HA ARG 76 HA ARG 76 27.735 -0.443 -3.387 513 HB2 ARG 76 HB2 ARG 76 30.051 0.922 -1.997 514 HB3 ARG 76 HB1 ARG 76 29.713 0.948 -3.722 515 HG2 ARG 76 HG2 ARG 76 27.609 2.138 -3.270 516 HG3 ARG 76 HG1 ARG 76 28.008 2.156 -1.552 517 HD2 ARG 76 HD2 ARG 76 28.590 4.277 -2.564 518 HD3 ARG 76 HD1 ARG 76 30.049 3.425 -2.060 519 HE ARG 76 HE ARG 76 29.266 3.035 -4.822 520 HH11 ARG 76 HH11 ARG 76 31.224 4.866 -2.575 521 HH12 ARG 76 HH12 ARG 76 32.322 5.432 -3.791 522 HH21 ARG 76 HH21 ARG 76 30.706 3.771 -6.429 523 HH22 ARG 76 HH22 ARG 76 32.023 4.814 -5.990 524 H SER 77 HN SER 77 30.165 -1.188 -0.931 525 HA SER 77 HA SER 77 31.712 -2.824 -0.727 526 HB2 SER 77 HB2 SER 77 29.578 -4.120 -0.591 527 HB3 SER 77 HB1 SER 77 29.746 -4.470 -2.308 528 HG SER 77 HG SER 77 30.913 -6.089 -1.682 529 H ARG 78 HN ARG 78 32.922 -1.378 -2.322 530 HA ARG 78 HA ARG 78 33.381 -2.727 -4.872 531 HB2 ARG 78 HB2 ARG 78 34.544 -0.138 -3.835 532 HB3 ARG 78 HB1 ARG 78 34.712 -0.769 -5.468 533 HG2 ARG 78 HG2 ARG 78 32.239 -0.633 -5.707 534 HG3 ARG 78 HG1 ARG 78 32.182 0.165 -4.134 535 HD2 ARG 78 HD2 ARG 78 33.613 1.145 -6.597 536 HD3 ARG 78 HD1 ARG 78 32.129 1.805 -5.915 537 HE ARG 78 HE ARG 78 33.883 2.016 -3.870 538 HH11 ARG 78 HH11 ARG 78 33.928 3.031 -7.214 539 HH12 ARG 78 HH12 ARG 78 35.008 4.359 -6.933 540 HH21 ARG 78 HH21 ARG 78 35.298 3.770 -3.488 541 HH22 ARG 78 HH22 ARG 78 35.784 4.780 -4.811 542 H LYS 79 HN LYS 79 34.514 -2.745 -1.758 543 HA LYS 79 HA LYS 79 37.059 -3.949 -2.609 544 HB2 LYS 79 HB2 LYS 79 36.389 -2.511 -0.035 545 HB3 LYS 79 HB1 LYS 79 37.870 -3.422 -0.291 546 HG2 LYS 79 HG2 LYS 79 38.442 -1.925 -2.149 547 HG3 LYS 79 HG1 LYS 79 36.984 -0.990 -1.823 548 HD2 LYS 79 HD2 LYS 79 37.791 -0.368 0.343 549 HD3 LYS 79 HD1 LYS 79 39.167 -1.463 0.201 550 HE2 LYS 79 HE2 LYS 79 39.851 0.836 -0.195 551 HE3 LYS 79 HE1 LYS 79 40.034 -0.130 -1.655 552 HZ1 LYS 79 HZ1 LYS 79 39.071 1.986 -2.187 553 HZ2 LYS 79 HZ2 LYS 79 37.827 1.758 -1.065 554 HZ3 LYS 79 HZ3 LYS 79 37.912 0.780 -2.439 555 H ALA 80 HN ALA 80 36.128 -5.977 -2.890 556 HA ALA 80 HA ALA 80 35.711 -7.452 -0.423 557 HB1 ALA 80 HB1 ALA 80 33.614 -8.450 -1.146 558 HB2 ALA 80 HB2 ALA 80 33.628 -7.463 -2.607 559 HB3 ALA 80 HB3 ALA 80 33.452 -6.697 -1.028 560 H GLU 81 HN GLU 81 37.461 -8.716 -0.779 561 HA GLU 81 HA GLU 81 37.958 -9.928 -3.350 562 HB2 GLU 81 HB2 GLU 81 39.264 -10.445 -0.668 563 HB3 GLU 81 HB1 GLU 81 39.851 -11.014 -2.224 564 HG2 GLU 81 HG2 GLU 81 39.627 -8.142 -1.352 565 HG3 GLU 81 HG1 GLU 81 41.110 -9.087 -1.473 566 H ARG 82 HN ARG 82 36.264 -10.682 -0.474 567 HA ARG 82 HA ARG 82 35.504 -13.276 -1.606 568 HB2 ARG 82 HB2 ARG 82 37.224 -13.564 0.218 569 HB3 ARG 82 HB1 ARG 82 36.078 -12.838 1.333 570 HG2 ARG 82 HG2 ARG 82 35.959 -15.198 1.594 571 HG3 ARG 82 HG1 ARG 82 34.485 -14.674 0.776 572 HD2 ARG 82 HD2 ARG 82 35.395 -16.711 -0.228 573 HD3 ARG 82 HD1 ARG 82 35.413 -15.367 -1.368 574 HE ARG 82 HE ARG 82 37.884 -15.254 -0.313 575 HH11 ARG 82 HH11 ARG 82 36.048 -17.935 -1.609 576 HH12 ARG 82 HH12 ARG 82 37.445 -18.762 -2.214 577 HH21 ARG 82 HH21 ARG 82 39.726 -16.330 -1.117 578 HH22 ARG 82 HH22 ARG 82 39.540 -17.846 -1.942 579 H ALA 83 HN ALA 83 33.655 -12.056 -2.304 580 HA ALA 83 HA ALA 83 31.970 -10.637 -0.537 581 HB1 ALA 83 HB1 ALA 83 31.922 -10.293 -2.956 582 HB2 ALA 83 HB2 ALA 83 30.323 -10.710 -2.340 583 HB3 ALA 83 HB3 ALA 83 31.289 -11.923 -3.179 584 H LYS 84 HN LYS 84 32.027 -13.971 -1.634 585 HA LYS 84 HA LYS 84 30.085 -14.634 0.477 586 HB2 LYS 84 HB2 LYS 84 30.498 -16.046 -2.170 587 HB3 LYS 84 HB1 LYS 84 29.410 -16.577 -0.897 588 HG2 LYS 84 HG2 LYS 84 29.182 -13.972 -2.385 589 HG3 LYS 84 HG1 LYS 84 28.256 -15.430 -2.743 590 HD2 LYS 84 HD2 LYS 84 27.308 -15.356 -0.472 591 HD3 LYS 84 HD1 LYS 84 28.208 -13.871 -0.161 592 HE2 LYS 84 HE2 LYS 84 26.147 -14.219 -2.333 593 HE3 LYS 84 HE1 LYS 84 25.844 -13.468 -0.768 594 HZ1 LYS 84 HZ1 LYS 84 27.391 -11.737 -1.284 595 HZ2 LYS 84 HZ2 LYS 84 26.294 -11.861 -2.565 596 HZ3 LYS 84 HZ3 LYS 84 27.851 -12.495 -2.723 597 H LEU 85 HN LEU 85 30.904 -15.880 2.030 598 HA LEU 85 HA LEU 85 33.589 -16.922 1.708 599 HB2 LEU 85 HB2 LEU 85 32.921 -15.663 3.738 600 HB3 LEU 85 HB1 LEU 85 31.778 -16.934 4.124 601 HG LEU 85 HG LEU 85 33.651 -18.527 4.362 602 HD11 LEU 85 HD11 LEU 85 35.248 -17.489 2.858 603 HD12 LEU 85 HD12 LEU 85 35.944 -17.668 4.468 604 HD13 LEU 85 HD13 LEU 85 35.371 -16.090 3.925 605 HD21 LEU 85 HD21 LEU 85 32.782 -17.367 6.316 606 HD22 LEU 85 HD22 LEU 85 33.887 -16.023 6.026 607 HD23 LEU 85 HD23 LEU 85 34.523 -17.611 6.460 Start of MODEL 2 1 H1 GLY 11 HT1 GLY 11 -19.535 -8.089 7.721 2 H2 GLY 11 HT2 GLY 11 -20.678 -7.984 6.483 3 H3 GLY 11 HT3 GLY 11 -20.691 -9.307 7.534 4 HA2 GLY 11 HA1 GLY 11 -22.455 -7.755 8.078 5 HA3 GLY 11 HA2 GLY 11 -21.284 -7.904 9.380 6 H ARG 12 HN ARG 12 -23.117 -5.727 8.783 7 HA ARG 12 HA ARG 12 -23.160 -3.480 8.979 8 HB2 ARG 12 HB2 ARG 12 -20.195 -3.858 9.333 9 HB3 ARG 12 HB1 ARG 12 -20.944 -2.267 9.354 10 HG2 ARG 12 HG2 ARG 12 -22.341 -2.938 11.235 11 HG3 ARG 12 HG1 ARG 12 -21.614 -4.544 11.207 12 HD2 ARG 12 HD2 ARG 12 -19.453 -3.620 11.746 13 HD3 ARG 12 HD1 ARG 12 -20.091 -1.982 11.643 14 HE ARG 12 HE ARG 12 -21.642 -2.977 13.541 15 HH11 ARG 12 HH11 ARG 12 -18.194 -3.366 13.097 16 HH12 ARG 12 HH12 ARG 12 -17.855 -3.417 14.797 17 HH21 ARG 12 HH21 ARG 12 -21.195 -3.051 15.780 18 HH22 ARG 12 HH22 ARG 12 -19.559 -3.242 16.321 19 HA PRO 13 HA PRO 13 -22.701 -2.041 4.837 20 HB2 PRO 13 HB2 PRO 13 -23.393 0.520 5.152 21 HB3 PRO 13 HB1 PRO 13 -24.563 -0.781 5.394 22 HG2 PRO 13 HG2 PRO 13 -22.973 0.739 7.432 23 HG3 PRO 13 HG1 PRO 13 -24.702 0.345 7.439 24 HD2 PRO 13 HD2 PRO 13 -22.860 -1.091 8.822 25 HD3 PRO 13 HD1 PRO 13 -24.335 -1.807 8.145 26 H GLY 14 HN GLY 14 -20.216 -2.305 6.109 27 HA2 GLY 14 HA2 GLY 14 -18.835 0.161 5.253 28 HA3 GLY 14 HA1 GLY 14 -18.221 -0.932 6.485 29 H VAL 15 HN VAL 15 -19.689 -2.617 4.007 30 HA VAL 15 HA VAL 15 -17.178 -3.729 3.186 31 HB VAL 15 HB VAL 15 -18.582 -5.172 1.695 32 HG11 VAL 15 HG11 VAL 15 -19.618 -6.421 3.531 33 HG12 VAL 15 HG12 VAL 15 -19.415 -5.026 4.591 34 HG13 VAL 15 HG13 VAL 15 -18.000 -5.866 3.958 35 HG21 VAL 15 HG21 VAL 15 -20.410 -3.568 1.315 36 HG22 VAL 15 HG22 VAL 15 -20.882 -3.720 3.008 37 HG23 VAL 15 HG23 VAL 15 -21.006 -5.111 1.930 38 H PHE 16 HN PHE 16 -19.645 -1.681 1.719 39 HA PHE 16 HA PHE 16 -17.734 -1.086 -0.444 40 HB2 PHE 16 HB2 PHE 16 -19.922 -2.287 -1.085 41 HB3 PHE 16 HB1 PHE 16 -20.728 -0.774 -0.688 42 HD1 PHE 16 HD2 PHE 16 -18.162 -2.285 -2.885 43 HD2 PHE 16 HD1 PHE 16 -20.796 0.994 -2.237 44 HE1 PHE 16 HE2 PHE 16 -17.684 -1.454 -5.152 45 HE2 PHE 16 HE1 PHE 16 -20.325 1.828 -4.501 46 HZ PHE 16 HZ PHE 16 -18.764 0.605 -5.961 47 H ARG 17 HN ARG 17 -17.368 0.189 1.800 48 HA ARG 17 HA ARG 17 -18.858 2.690 1.814 49 HB2 ARG 17 HB2 ARG 17 -18.014 1.223 3.864 50 HB3 ARG 17 HB1 ARG 17 -16.538 2.141 3.623 51 HG2 ARG 17 HG2 ARG 17 -17.802 3.245 5.295 52 HG3 ARG 17 HG1 ARG 17 -17.902 4.227 3.833 53 HD2 ARG 17 HD2 ARG 17 -20.094 3.273 3.335 54 HD3 ARG 17 HD1 ARG 17 -19.991 2.267 4.779 55 HE ARG 17 HE ARG 17 -19.780 5.134 5.199 56 HH11 ARG 17 HH11 ARG 17 -21.800 2.279 5.230 57 HH12 ARG 17 HH12 ARG 17 -23.061 3.020 6.169 58 HH21 ARG 17 HH21 ARG 17 -21.426 6.117 6.451 59 HH22 ARG 17 HH22 ARG 17 -22.843 5.207 6.868 60 H THR 18 HN THR 18 -17.471 4.746 1.991 61 HA THR 18 HA THR 18 -14.917 4.428 0.564 62 HB THR 18 HB THR 18 -15.282 6.697 -0.421 63 HG1 THR 18 HG1 THR 18 -16.996 7.297 1.069 64 HG21 THR 18 HG21 THR 18 -17.292 4.582 -1.198 65 HG22 THR 18 HG22 THR 18 -15.627 4.704 -1.770 66 HG23 THR 18 HG23 THR 18 -16.800 5.949 -2.199 67 H ARG 19 HN ARG 19 -13.251 5.778 1.198 68 HA ARG 19 HA ARG 19 -13.756 7.466 3.547 69 HB2 ARG 19 HB2 ARG 19 -12.638 5.334 4.171 70 HB3 ARG 19 HB1 ARG 19 -11.322 5.733 3.078 71 HG2 ARG 19 HG2 ARG 19 -10.713 7.630 4.426 72 HG3 ARG 19 HG1 ARG 19 -12.116 7.383 5.468 73 HD2 ARG 19 HD2 ARG 19 -11.242 5.336 6.297 74 HD3 ARG 19 HD1 ARG 19 -9.971 5.311 5.077 75 HE ARG 19 HE ARG 19 -9.363 7.549 6.349 76 HH11 ARG 19 HH11 ARG 19 -10.392 4.502 7.722 77 HH12 ARG 19 HH12 ARG 19 -9.332 4.619 9.093 78 HH21 ARG 19 HH21 ARG 19 -8.006 7.727 8.167 79 HH22 ARG 19 HH22 ARG 19 -7.998 6.462 9.355 80 H GLY 20 HN GLY 20 -13.969 8.562 1.167 81 HA2 GLY 20 HA2 GLY 20 -13.174 10.202 -0.222 82 HA3 GLY 20 HA1 GLY 20 -11.849 10.426 0.915 83 H LEU 21 HN LEU 21 -12.795 7.593 -0.983 84 HA LEU 21 HA LEU 21 -10.045 7.168 -1.704 85 HB2 LEU 21 HB2 LEU 21 -12.388 5.553 -1.582 86 HB3 LEU 21 HB1 LEU 21 -11.782 5.489 -3.227 87 HG LEU 21 HG LEU 21 -9.524 4.959 -2.217 88 HD11 LEU 21 HD11 LEU 21 -9.684 5.555 -0.011 89 HD12 LEU 21 HD12 LEU 21 -9.723 3.793 0.011 90 HD13 LEU 21 HD13 LEU 21 -11.218 4.709 0.212 91 HD21 LEU 21 HD21 LEU 21 -10.384 3.173 -3.293 92 HD22 LEU 21 HD22 LEU 21 -11.865 3.171 -2.345 93 HD23 LEU 21 HD23 LEU 21 -10.372 2.538 -1.646 94 H THR 22 HN THR 22 -9.122 8.221 -3.269 95 HA THR 22 HA THR 22 -10.547 9.498 -5.377 96 HB THR 22 HB THR 22 -8.274 9.835 -6.366 97 HG1 THR 22 HG1 THR 22 -7.352 8.516 -4.000 98 HG21 THR 22 HG21 THR 22 -8.615 10.484 -3.435 99 HG22 THR 22 HG22 THR 22 -9.132 11.470 -4.803 100 HG23 THR 22 HG23 THR 22 -7.413 11.227 -4.491 101 H ASP 23 HN ASP 23 -9.978 8.935 -7.770 102 HA ASP 23 HA ASP 23 -11.011 6.384 -8.264 103 HB2 ASP 23 HB2 ASP 23 -11.024 8.304 -9.898 104 HB3 ASP 23 HB1 ASP 23 -9.333 7.942 -10.235 105 H GLU 24 HN GLU 24 -7.705 7.501 -7.985 106 HA GLU 24 HA GLU 24 -6.440 5.195 -8.999 107 HB2 GLU 24 HB2 GLU 24 -5.445 7.201 -6.967 108 HB3 GLU 24 HB1 GLU 24 -4.442 6.007 -7.779 109 HG2 GLU 24 HG2 GLU 24 -5.926 8.283 -9.071 110 HG3 GLU 24 HG1 GLU 24 -4.185 8.156 -8.832 111 H GLU 25 HN GLU 25 -7.199 6.116 -5.613 112 HA GLU 25 HA GLU 25 -6.197 3.735 -4.458 113 HB2 GLU 25 HB2 GLU 25 -8.403 5.510 -3.391 114 HB3 GLU 25 HB1 GLU 25 -7.517 4.305 -2.485 115 HG2 GLU 25 HG2 GLU 25 -5.588 5.533 -2.448 116 HG3 GLU 25 HG1 GLU 25 -6.062 6.545 -3.813 117 H TYR 26 HN TYR 26 -9.350 4.663 -5.675 118 HA TYR 26 HA TYR 26 -10.715 2.313 -4.878 119 HB2 TYR 26 HB2 TYR 26 -11.803 4.469 -5.500 120 HB3 TYR 26 HB1 TYR 26 -11.362 4.160 -7.174 121 HD1 TYR 26 HD1 TYR 26 -13.402 2.961 -4.356 122 HD2 TYR 26 HD2 TYR 26 -12.635 2.676 -8.525 123 HE1 TYR 26 HE1 TYR 26 -15.462 1.686 -4.635 124 HE2 TYR 26 HE2 TYR 26 -14.687 1.389 -8.827 125 HH TYR 26 HH TYR 26 -17.087 1.173 -6.443 126 H ASP 27 HN ASP 27 -9.051 3.276 -7.831 127 HA ASP 27 HA ASP 27 -9.589 0.988 -9.361 128 HB2 ASP 27 HB2 ASP 27 -8.592 3.075 -10.272 129 HB3 ASP 27 HB1 ASP 27 -7.118 2.748 -9.374 130 H GLU 28 HN GLU 28 -6.898 1.774 -7.196 131 HA GLU 28 HA GLU 28 -5.517 -0.638 -7.329 132 HB2 GLU 28 HB2 GLU 28 -4.582 1.285 -6.192 133 HB3 GLU 28 HB1 GLU 28 -5.891 1.280 -5.018 134 HG2 GLU 28 HG2 GLU 28 -5.135 -0.888 -4.204 135 HG3 GLU 28 HG1 GLU 28 -3.800 -0.854 -5.345 136 H PHE 29 HN PHE 29 -8.122 0.389 -5.165 137 HA PHE 29 HA PHE 29 -8.488 -1.919 -3.685 138 HB2 PHE 29 HB2 PHE 29 -9.691 0.024 -3.051 139 HB3 PHE 29 HB1 PHE 29 -10.419 0.193 -4.643 140 HD1 PHE 29 HD1 PHE 29 -10.190 -2.596 -2.182 141 HD2 PHE 29 HD2 PHE 29 -12.680 -0.090 -4.547 142 HE1 PHE 29 HE1 PHE 29 -12.153 -3.833 -1.407 143 HE2 PHE 29 HE2 PHE 29 -14.659 -1.334 -3.779 144 HZ PHE 29 HZ PHE 29 -14.394 -3.206 -2.201 145 H LYS 30 HN LYS 30 -9.929 -1.085 -6.842 146 HA LYS 30 HA LYS 30 -11.477 -3.412 -7.120 147 HB2 LYS 30 HB2 LYS 30 -10.160 -1.791 -9.316 148 HB3 LYS 30 HB1 LYS 30 -11.477 -2.930 -9.536 149 HG2 LYS 30 HG2 LYS 30 -12.876 -1.480 -8.069 150 HG3 LYS 30 HG1 LYS 30 -11.565 -0.310 -8.063 151 HD2 LYS 30 HD2 LYS 30 -12.860 -1.326 -10.586 152 HD3 LYS 30 HD1 LYS 30 -13.397 0.124 -9.737 153 HE2 LYS 30 HE2 LYS 30 -11.285 1.184 -10.070 154 HE3 LYS 30 HE1 LYS 30 -10.584 -0.296 -10.717 155 HZ1 LYS 30 HZ1 LYS 30 -11.137 1.241 -12.478 156 HZ2 LYS 30 HZ2 LYS 30 -12.749 1.300 -11.971 157 HZ3 LYS 30 HZ3 LYS 30 -12.110 -0.135 -12.593 158 H LYS 31 HN LYS 31 -8.185 -2.688 -8.221 159 HA LYS 31 HA LYS 31 -7.659 -5.155 -9.450 160 HB2 LYS 31 HB2 LYS 31 -5.761 -3.230 -8.106 161 HB3 LYS 31 HB1 LYS 31 -5.281 -4.540 -9.177 162 HG2 LYS 31 HG2 LYS 31 -6.276 -3.512 -11.049 163 HG3 LYS 31 HG1 LYS 31 -7.153 -2.357 -10.041 164 HD2 LYS 31 HD2 LYS 31 -5.257 -1.286 -11.112 165 HD3 LYS 31 HD1 LYS 31 -5.024 -1.346 -9.368 166 HE2 LYS 31 HE2 LYS 31 -3.598 -3.324 -9.647 167 HE3 LYS 31 HE1 LYS 31 -3.797 -3.208 -11.395 168 HZ1 LYS 31 HZ1 LYS 31 -2.769 -1.006 -11.308 169 HZ2 LYS 31 HZ2 LYS 31 -1.729 -2.200 -10.716 170 HZ3 LYS 31 HZ3 LYS 31 -2.533 -1.172 -9.643 171 H ARG 32 HN ARG 32 -7.184 -4.005 -6.169 172 HA ARG 32 HA ARG 32 -5.936 -6.324 -5.158 173 HB2 ARG 32 HB2 ARG 32 -7.434 -4.093 -3.833 174 HB3 ARG 32 HB1 ARG 32 -6.591 -5.339 -2.936 175 HG2 ARG 32 HG2 ARG 32 -4.492 -4.684 -3.961 176 HG3 ARG 32 HG1 ARG 32 -5.326 -3.466 -4.922 177 HD2 ARG 32 HD2 ARG 32 -4.332 -2.338 -3.096 178 HD3 ARG 32 HD1 ARG 32 -6.060 -2.425 -2.755 179 HE ARG 32 HE ARG 32 -5.136 -4.586 -1.491 180 HH11 ARG 32 HH11 ARG 32 -4.059 -1.240 -1.480 181 HH12 ARG 32 HH12 ARG 32 -3.361 -1.362 0.107 182 HH21 ARG 32 HH21 ARG 32 -4.205 -4.722 0.568 183 HH22 ARG 32 HH22 ARG 32 -3.427 -3.324 1.257 184 H ARG 33 HN ARG 33 -9.288 -5.278 -5.330 185 HA ARG 33 HA ARG 33 -10.373 -7.466 -3.904 186 HB2 ARG 33 HB2 ARG 33 -11.668 -5.468 -4.163 187 HB3 ARG 33 HB1 ARG 33 -11.573 -5.573 -5.914 188 HG2 ARG 33 HG2 ARG 33 -13.087 -7.335 -6.013 189 HG3 ARG 33 HG1 ARG 33 -12.884 -7.730 -4.307 190 HD2 ARG 33 HD2 ARG 33 -14.004 -5.729 -3.650 191 HD3 ARG 33 HD1 ARG 33 -14.106 -5.171 -5.318 192 HE ARG 33 HE ARG 33 -15.531 -7.237 -5.662 193 HH11 ARG 33 HH11 ARG 33 -15.309 -5.631 -2.562 194 HH12 ARG 33 HH12 ARG 33 -16.911 -6.078 -2.070 195 HH21 ARG 33 HH21 ARG 33 -17.623 -7.861 -5.003 196 HH22 ARG 33 HH22 ARG 33 -18.228 -7.353 -3.461 197 H GLU 34 HN GLU 34 -9.761 -6.882 -7.313 198 HA GLU 34 HA GLU 34 -10.782 -9.277 -8.344 199 HB2 GLU 34 HB2 GLU 34 -10.044 -7.291 -9.658 200 HB3 GLU 34 HB1 GLU 34 -8.378 -7.708 -9.293 201 HG2 GLU 34 HG2 GLU 34 -8.582 -9.770 -10.524 202 HG3 GLU 34 HG1 GLU 34 -10.294 -9.454 -10.817 203 H SER 35 HN SER 35 -7.667 -8.459 -6.933 204 HA SER 35 HA SER 35 -6.356 -10.905 -7.373 205 HB2 SER 35 HB2 SER 35 -5.214 -8.811 -6.707 206 HB3 SER 35 HB1 SER 35 -5.963 -8.922 -5.114 207 HG SER 35 HG SER 35 -4.018 -10.618 -6.282 208 H ARG 36 HN ARG 36 -8.802 -9.979 -5.109 209 HA ARG 36 HA ARG 36 -8.386 -12.413 -3.527 210 HB2 ARG 36 HB2 ARG 36 -9.852 -9.867 -3.079 211 HB3 ARG 36 HB1 ARG 36 -10.434 -11.296 -2.257 212 HG2 ARG 36 HG2 ARG 36 -9.020 -10.478 -0.671 213 HG3 ARG 36 HG1 ARG 36 -7.894 -11.500 -1.571 214 HD2 ARG 36 HD2 ARG 36 -7.342 -9.476 -2.935 215 HD3 ARG 36 HD1 ARG 36 -8.283 -8.542 -1.787 216 HE ARG 36 HE ARG 36 -6.571 -9.779 -0.164 217 HH11 ARG 36 HH11 ARG 36 -6.089 -8.073 -3.166 218 HH12 ARG 36 HH12 ARG 36 -4.487 -7.541 -2.764 219 HH21 ARG 36 HH21 ARG 36 -4.462 -9.081 0.392 220 HH22 ARG 36 HH22 ARG 36 -3.560 -8.109 -0.731 221 H GLY 37 HN GLY 37 -9.758 -11.811 -6.330 222 HA2 GLY 37 HA2 GLY 37 -11.371 -12.888 -7.560 223 HA3 GLY 37 HA1 GLY 37 -11.514 -14.026 -6.229 224 H GLY 38 HN GLY 38 -12.023 -10.596 -5.825 225 HA2 GLY 38 HA2 GLY 38 -14.056 -9.413 -5.778 226 HA3 GLY 38 HA1 GLY 38 -14.924 -10.928 -5.928 227 H LYS 39 HN LYS 39 -13.003 -11.910 -3.708 228 HA LYS 39 HA LYS 39 -14.815 -11.200 -1.567 229 HB2 LYS 39 HB2 LYS 39 -12.483 -13.109 -1.651 230 HB3 LYS 39 HB1 LYS 39 -13.532 -12.875 -0.257 231 HG2 LYS 39 HG2 LYS 39 -14.607 -14.634 -1.155 232 HG3 LYS 39 HG1 LYS 39 -15.388 -13.373 -2.105 233 HD2 LYS 39 HD2 LYS 39 -13.776 -13.729 -3.905 234 HD3 LYS 39 HD1 LYS 39 -13.001 -15.004 -2.961 235 HE2 LYS 39 HE2 LYS 39 -15.863 -15.015 -3.912 236 HE3 LYS 39 HE1 LYS 39 -14.536 -15.903 -4.657 237 HZ1 LYS 39 HZ1 LYS 39 -15.838 -17.318 -3.201 238 HZ2 LYS 39 HZ2 LYS 39 -15.540 -16.296 -1.890 239 HZ3 LYS 39 HZ3 LYS 39 -14.266 -17.148 -2.602 240 H TYR 40 HN TYR 40 -13.867 -8.930 -2.009 241 HA TYR 40 HA TYR 40 -11.961 -8.364 0.119 242 HB2 TYR 40 HB2 TYR 40 -10.728 -8.658 -2.094 243 HB3 TYR 40 HB1 TYR 40 -11.556 -7.199 -2.617 244 HD1 TYR 40 HD1 TYR 40 -9.677 -8.316 0.403 245 HD2 TYR 40 HD2 TYR 40 -10.251 -5.293 -2.533 246 HE1 TYR 40 HE1 TYR 40 -7.906 -6.983 1.448 247 HE2 TYR 40 HE2 TYR 40 -8.478 -3.940 -1.488 248 HH TYR 40 HH TYR 40 -6.412 -5.211 0.983 249 H SER 41 HN SER 41 -13.320 -7.058 1.291 250 HA SER 41 HA SER 41 -15.015 -5.174 -0.133 251 HB2 SER 41 HB2 SER 41 -15.080 -4.709 2.644 252 HB3 SER 41 HB1 SER 41 -16.339 -5.386 1.627 253 HG SER 41 HG SER 41 -14.226 -6.810 2.914 254 H ILE 42 HN ILE 42 -15.064 -2.875 0.810 255 HA ILE 42 HA ILE 42 -12.440 -1.848 0.414 256 HB ILE 42 HB ILE 42 -14.669 -0.682 -0.117 257 HG12 ILE 42 HG12 ILE 42 -12.991 1.339 1.141 258 HG13 ILE 42 HG11 ILE 42 -12.021 0.119 0.309 259 HG21 ILE 42 HG21 ILE 42 -15.451 0.851 1.610 260 HG22 ILE 42 HG22 ILE 42 -14.257 0.205 2.741 261 HG23 ILE 42 HG23 ILE 42 -15.578 -0.819 2.166 262 HD11 ILE 42 HD11 ILE 42 -12.510 2.011 -1.102 263 HD12 ILE 42 HD12 ILE 42 -14.241 1.725 -0.916 264 HD13 ILE 42 HD13 ILE 42 -13.226 0.530 -1.730 265 H ASP 43 HN ASP 43 -14.336 -2.667 3.222 266 HA ASP 43 HA ASP 43 -12.839 -1.243 5.129 267 HB2 ASP 43 HB2 ASP 43 -14.907 -2.228 5.810 268 HB3 ASP 43 HB1 ASP 43 -14.380 -3.822 5.305 269 H ASP 44 HN ASP 44 -12.354 -4.374 3.612 270 HA ASP 44 HA ASP 44 -10.016 -5.108 4.994 271 HB2 ASP 44 HB2 ASP 44 -10.840 -5.727 2.148 272 HB3 ASP 44 HB1 ASP 44 -9.531 -6.513 3.016 273 H TYR 45 HN TYR 45 -10.556 -3.291 2.009 274 HA TYR 45 HA TYR 45 -7.879 -2.672 1.428 275 HB2 TYR 45 HB2 TYR 45 -9.664 -2.321 -0.210 276 HB3 TYR 45 HB1 TYR 45 -10.401 -1.097 0.816 277 HD1 TYR 45 HD1 TYR 45 -7.561 -1.878 -1.333 278 HD2 TYR 45 HD2 TYR 45 -9.535 1.172 0.866 279 HE1 TYR 45 HE1 TYR 45 -6.139 -0.195 -2.428 280 HE2 TYR 45 HE2 TYR 45 -8.098 2.883 -0.232 281 HH TYR 45 HH TYR 45 -6.152 2.160 -2.933 282 H LEU 46 HN LEU 46 -10.324 -0.965 3.284 283 HA LEU 46 HA LEU 46 -8.829 1.340 3.833 284 HB2 LEU 46 HB2 LEU 46 -11.224 0.125 5.182 285 HB3 LEU 46 HB1 LEU 46 -10.571 1.684 5.626 286 HG LEU 46 HG LEU 46 -11.675 0.970 2.906 287 HD11 LEU 46 HD11 LEU 46 -13.405 1.123 4.619 288 HD12 LEU 46 HD12 LEU 46 -13.497 2.468 3.481 289 HD13 LEU 46 HD13 LEU 46 -12.806 2.716 5.085 290 HD21 LEU 46 HD21 LEU 46 -11.490 3.388 2.473 291 HD22 LEU 46 HD22 LEU 46 -9.922 2.619 2.713 292 HD23 LEU 46 HD23 LEU 46 -10.639 3.579 4.006 293 H ALA 47 HN ALA 47 -9.097 -1.738 5.459 294 HA ALA 47 HA ALA 47 -7.768 -1.018 7.860 295 HB1 ALA 47 HB1 ALA 47 -7.411 -3.467 8.092 296 HB2 ALA 47 HB2 ALA 47 -8.055 -3.684 6.460 297 HB3 ALA 47 HB3 ALA 47 -9.084 -3.036 7.740 298 H ASP 48 HN ASP 48 -6.603 -2.337 4.775 299 HA ASP 48 HA ASP 48 -3.863 -2.285 5.651 300 HB2 ASP 48 HB2 ASP 48 -4.717 -3.861 3.902 301 HB3 ASP 48 HB1 ASP 48 -4.902 -2.483 2.820 302 H ARG 49 HN ARG 49 -6.051 -0.179 3.943 303 HA ARG 49 HA ARG 49 -4.279 1.774 3.014 304 HB2 ARG 49 HB2 ARG 49 -6.727 1.618 2.520 305 HB3 ARG 49 HB1 ARG 49 -7.036 2.249 4.130 306 HG2 ARG 49 HG2 ARG 49 -5.923 4.310 3.583 307 HG3 ARG 49 HG1 ARG 49 -5.475 3.680 1.995 308 HD2 ARG 49 HD2 ARG 49 -7.861 3.432 1.476 309 HD3 ARG 49 HD1 ARG 49 -8.264 4.179 3.009 310 HE ARG 49 HE ARG 49 -7.151 5.495 0.648 311 HH11 ARG 49 HH11 ARG 49 -7.982 5.777 4.033 312 HH12 ARG 49 HH12 ARG 49 -8.211 7.491 3.965 313 HH21 ARG 49 HH21 ARG 49 -7.463 7.723 0.538 314 HH22 ARG 49 HH22 ARG 49 -7.943 8.606 1.963 315 H GLU 50 HN GLU 50 -5.939 1.402 6.124 316 HA GLU 50 HA GLU 50 -4.996 3.558 7.563 317 HB2 GLU 50 HB2 GLU 50 -5.534 0.703 8.390 318 HB3 GLU 50 HB1 GLU 50 -5.084 1.948 9.549 319 HG2 GLU 50 HG2 GLU 50 -7.434 2.253 7.719 320 HG3 GLU 50 HG1 GLU 50 -7.549 1.412 9.261 321 H ARG 51 HN ARG 51 -3.412 0.520 6.826 322 HA ARG 51 HA ARG 51 -1.096 1.034 8.416 323 HB2 ARG 51 HB2 ARG 51 -1.358 -0.941 6.161 324 HB3 ARG 51 HB1 ARG 51 -0.239 -1.002 7.518 325 HG2 ARG 51 HG2 ARG 51 -2.695 -0.917 8.736 326 HG3 ARG 51 HG1 ARG 51 -2.982 -1.917 7.319 327 HD2 ARG 51 HD2 ARG 51 -1.016 -3.280 7.948 328 HD3 ARG 51 HD1 ARG 51 -0.888 -2.329 9.429 329 HE ARG 51 HE ARG 51 -3.170 -4.070 8.736 330 HH11 ARG 51 HH11 ARG 51 -1.146 -2.497 11.121 331 HH12 ARG 51 HH12 ARG 51 -1.923 -3.266 12.468 332 HH21 ARG 51 HH21 ARG 51 -4.190 -5.082 10.500 333 HH22 ARG 51 HH22 ARG 51 -3.654 -4.743 12.114 334 H GLU 52 HN GLU 52 -1.809 1.023 4.971 335 HA GLU 52 HA GLU 52 0.693 1.634 3.977 336 HB2 GLU 52 HB2 GLU 52 -2.028 2.325 2.896 337 HB3 GLU 52 HB1 GLU 52 -0.536 2.609 2.012 338 HG2 GLU 52 HG2 GLU 52 -1.510 -0.066 2.980 339 HG3 GLU 52 HG1 GLU 52 -1.627 0.538 1.328 340 H GLU 53 HN GLU 53 -1.865 3.946 4.942 341 HA GLU 53 HA GLU 53 -0.556 6.255 4.087 342 HB2 GLU 53 HB2 GLU 53 -2.365 5.928 6.484 343 HB3 GLU 53 HB1 GLU 53 -1.912 7.467 5.763 344 HG2 GLU 53 HG2 GLU 53 -2.939 6.647 3.625 345 HG3 GLU 53 HG1 GLU 53 -3.563 5.279 4.549 346 H GLU 54 HN GLU 54 -0.289 4.503 7.118 347 HA GLU 54 HA GLU 54 1.565 6.252 8.347 348 HB2 GLU 54 HB2 GLU 54 0.357 4.767 9.755 349 HB3 GLU 54 HB1 GLU 54 0.827 3.368 8.799 350 HG2 GLU 54 HG2 GLU 54 3.137 3.638 9.547 351 HG3 GLU 54 HG1 GLU 54 2.656 5.029 10.511 352 H LEU 55 HN LEU 55 1.841 3.562 6.190 353 HA LEU 55 HA LEU 55 4.671 3.217 6.713 354 HB2 LEU 55 HB2 LEU 55 2.819 1.727 4.858 355 HB3 LEU 55 HB1 LEU 55 4.475 1.276 5.219 356 HG LEU 55 HG LEU 55 2.191 1.341 7.190 357 HD11 LEU 55 HD11 LEU 55 2.047 -0.511 5.617 358 HD12 LEU 55 HD12 LEU 55 2.446 -1.078 7.238 359 HD13 LEU 55 HD13 LEU 55 3.703 -0.978 6.004 360 HD21 LEU 55 HD21 LEU 55 4.231 1.938 8.316 361 HD22 LEU 55 HD22 LEU 55 5.089 0.597 7.555 362 HD23 LEU 55 HD23 LEU 55 3.813 0.275 8.728 363 H LEU 56 HN LEU 56 2.730 4.888 4.456 364 HA LEU 56 HA LEU 56 4.586 4.931 2.294 365 HB2 LEU 56 HB2 LEU 56 2.380 6.863 3.020 366 HB3 LEU 56 HB1 LEU 56 3.277 6.899 1.516 367 HG LEU 56 HG LEU 56 1.484 4.653 2.436 368 HD11 LEU 56 HD11 LEU 56 0.239 6.656 1.828 369 HD12 LEU 56 HD12 LEU 56 0.009 5.375 0.638 370 HD13 LEU 56 HD13 LEU 56 1.089 6.724 0.284 371 HD21 LEU 56 HD21 LEU 56 3.296 3.801 1.089 372 HD22 LEU 56 HD22 LEU 56 3.016 5.045 -0.128 373 HD23 LEU 56 HD23 LEU 56 1.805 3.794 0.149 374 H GLU 57 HN GLU 57 3.915 7.079 5.014 375 HA GLU 57 HA GLU 57 5.969 8.938 4.213 376 HB2 GLU 57 HB2 GLU 57 4.267 8.864 6.706 377 HB3 GLU 57 HB1 GLU 57 5.306 10.195 6.218 378 HG2 GLU 57 HG2 GLU 57 3.947 10.446 4.167 379 HG3 GLU 57 HG1 GLU 57 2.868 9.191 4.770 380 H ARG 58 HN ARG 58 7.555 7.087 4.298 381 HA ARG 58 HA ARG 58 8.856 7.108 6.932 382 HB2 ARG 58 HB2 ARG 58 8.435 4.701 5.154 383 HB3 ARG 58 HB1 ARG 58 9.575 4.729 6.492 384 HG2 ARG 58 HG2 ARG 58 7.797 5.053 8.072 385 HG3 ARG 58 HG1 ARG 58 6.620 5.226 6.770 386 HD2 ARG 58 HD2 ARG 58 6.442 3.016 7.691 387 HD3 ARG 58 HD1 ARG 58 7.122 2.907 6.069 388 HE ARG 58 HE ARG 58 9.116 2.996 8.135 389 HH11 ARG 58 HH11 ARG 58 6.995 0.921 6.271 390 HH12 ARG 58 HH12 ARG 58 7.892 -0.522 6.620 391 HH21 ARG 58 HH21 ARG 58 10.310 1.092 8.573 392 HH22 ARG 58 HH22 ARG 58 9.782 -0.423 7.910 393 H ASP 59 HN ASP 59 10.944 7.495 6.898 394 HA ASP 59 HA ASP 59 12.202 8.709 4.749 395 HB2 ASP 59 HB2 ASP 59 12.991 9.221 6.893 396 HB3 ASP 59 HB1 ASP 59 13.199 7.531 7.328 397 H GLU 60 HN GLU 60 12.224 5.331 5.698 398 HA GLU 60 HA GLU 60 14.375 4.696 3.883 399 HB2 GLU 60 HB2 GLU 60 14.041 2.378 4.604 400 HB3 GLU 60 HB1 GLU 60 14.230 3.472 5.963 401 HG2 GLU 60 HG2 GLU 60 11.900 3.392 6.447 402 HG3 GLU 60 HG1 GLU 60 11.569 2.505 4.958 403 H GLU 61 HN GLU 61 11.122 5.242 3.474 404 HA GLU 61 HA GLU 61 10.623 3.087 1.606 405 HB2 GLU 61 HB2 GLU 61 9.014 4.678 3.215 406 HB3 GLU 61 HB1 GLU 61 8.678 5.253 1.589 407 HG2 GLU 61 HG2 GLU 61 8.470 2.400 2.524 408 HG3 GLU 61 HG1 GLU 61 7.123 3.509 2.276 409 H GLU 62 HN GLU 62 10.313 6.641 1.287 410 HA GLU 62 HA GLU 62 11.546 6.506 -1.343 411 HB2 GLU 62 HB2 GLU 62 8.883 6.118 -1.263 412 HB3 GLU 62 HB1 GLU 62 8.915 7.875 -1.299 413 HG2 GLU 62 HG2 GLU 62 10.275 7.784 -3.350 414 HG3 GLU 62 HG1 GLU 62 10.169 6.027 -3.315 415 H ALA 63 HN ALA 63 10.253 9.128 -2.014 416 HA ALA 63 HA ALA 63 12.307 10.723 -0.773 417 HB1 ALA 63 HB1 ALA 63 11.873 10.896 -3.169 418 HB2 ALA 63 HB2 ALA 63 11.636 12.444 -2.359 419 HB3 ALA 63 HB3 ALA 63 10.241 11.474 -2.833 420 H ILE 64 HN ILE 64 10.945 10.210 1.323 421 HA ILE 64 HA ILE 64 8.958 12.314 1.761 422 HB ILE 64 HB ILE 64 9.879 10.091 3.593 423 HG12 ILE 64 HG12 ILE 64 7.329 9.507 3.120 424 HG13 ILE 64 HG11 ILE 64 7.655 10.381 1.633 425 HG21 ILE 64 HG21 ILE 64 7.628 12.068 3.938 426 HG22 ILE 64 HG22 ILE 64 9.118 12.007 4.878 427 HG23 ILE 64 HG23 ILE 64 7.952 10.690 4.990 428 HD11 ILE 64 HD11 ILE 64 9.480 8.853 1.131 429 HD12 ILE 64 HD12 ILE 64 7.952 7.996 1.339 430 HD13 ILE 64 HD13 ILE 64 9.157 7.976 2.627 431 H PHE 65 HN PHE 65 12.228 11.499 2.348 432 HA PHE 65 HA PHE 65 12.565 13.493 4.437 433 HB2 PHE 65 HB2 PHE 65 14.894 12.625 4.536 434 HB3 PHE 65 HB1 PHE 65 13.682 11.367 4.773 435 HD1 PHE 65 HD1 PHE 65 13.197 9.769 2.950 436 HD2 PHE 65 HD2 PHE 65 16.404 12.550 2.707 437 HE1 PHE 65 HE1 PHE 65 14.200 8.442 1.146 438 HE2 PHE 65 HE2 PHE 65 17.421 11.227 0.898 439 HZ PHE 65 HZ PHE 65 16.320 9.167 0.116 440 H GLY 66 HN GLY 66 12.215 13.757 1.290 441 HA2 GLY 66 HA2 GLY 66 13.446 16.247 1.017 442 HA3 GLY 66 HA1 GLY 66 14.533 15.045 0.332 443 H ASP 67 HN ASP 67 14.232 16.052 -1.725 444 HA ASP 67 HA ASP 67 11.592 15.915 -2.940 445 HB2 ASP 67 HB2 ASP 67 14.270 16.767 -4.064 446 HB3 ASP 67 HB1 ASP 67 12.757 16.814 -4.960 447 H GLY 68 HN GLY 68 14.569 14.154 -2.863 448 HA2 GLY 68 HA2 GLY 68 13.324 12.037 -4.457 449 HA3 GLY 68 HA1 GLY 68 14.892 12.647 -4.971 450 H PHE 69 HN PHE 69 14.784 10.037 -4.419 451 HA PHE 69 HA PHE 69 16.118 9.867 -1.804 452 HB2 PHE 69 HB2 PHE 69 15.281 7.558 -1.587 453 HB3 PHE 69 HB1 PHE 69 13.975 8.735 -1.645 454 HD1 PHE 69 HD1 PHE 69 12.652 8.988 -3.747 455 HD2 PHE 69 HD2 PHE 69 15.447 5.831 -3.181 456 HE1 PHE 69 HE1 PHE 69 11.596 7.732 -5.576 457 HE2 PHE 69 HE2 PHE 69 14.396 4.570 -5.013 458 HZ PHE 69 HZ PHE 69 12.468 5.523 -6.210 459 H GLY 70 HN GLY 70 16.689 9.915 -4.956 460 HA2 GLY 70 HA2 GLY 70 18.430 7.635 -5.226 461 HA3 GLY 70 HA1 GLY 70 18.263 8.961 -6.365 462 H LEU 71 HN LEU 71 19.055 9.170 -2.950 463 HA LEU 71 HA LEU 71 21.502 10.616 -3.636 464 HB2 LEU 71 HB2 LEU 71 19.828 10.443 -1.140 465 HB3 LEU 71 HB1 LEU 71 21.452 11.096 -1.100 466 HG LEU 71 HG LEU 71 19.894 12.912 -1.183 467 HD11 LEU 71 HD11 LEU 71 21.166 12.563 -3.889 468 HD12 LEU 71 HD12 LEU 71 21.961 13.186 -2.446 469 HD13 LEU 71 HD13 LEU 71 20.631 14.084 -3.177 470 HD21 LEU 71 HD21 LEU 71 17.976 11.746 -2.118 471 HD22 LEU 71 HD22 LEU 71 18.780 11.655 -3.685 472 HD23 LEU 71 HD23 LEU 71 18.317 13.222 -3.021 473 H LYS 72 HN LYS 72 22.404 8.483 -4.272 474 HA LYS 72 HA LYS 72 23.725 6.668 -3.943 475 HB2 LYS 72 HB2 LYS 72 24.423 8.212 -1.441 476 HB3 LYS 72 HB1 LYS 72 25.295 6.790 -1.993 477 HG2 LYS 72 HG2 LYS 72 25.842 7.979 -4.083 478 HG3 LYS 72 HG1 LYS 72 25.041 9.415 -3.442 479 HD2 LYS 72 HD2 LYS 72 26.613 9.480 -1.581 480 HD3 LYS 72 HD1 LYS 72 27.395 8.016 -2.176 481 HE2 LYS 72 HE2 LYS 72 27.264 10.683 -3.576 482 HE3 LYS 72 HE1 LYS 72 28.682 9.970 -2.809 483 HZ1 LYS 72 HZ1 LYS 72 28.770 9.644 -5.176 484 HZ2 LYS 72 HZ2 LYS 72 27.249 8.913 -5.184 485 HZ3 LYS 72 HZ3 LYS 72 28.550 8.144 -4.425 486 H ALA 73 HN ALA 73 21.271 5.943 -3.470 487 HA ALA 73 HA ALA 73 21.390 4.361 -0.989 488 HB1 ALA 73 HB1 ALA 73 19.695 6.117 -0.824 489 HB2 ALA 73 HB2 ALA 73 18.958 4.515 -0.850 490 HB3 ALA 73 HB3 ALA 73 18.932 5.521 -2.297 491 H THR 74 HN THR 74 20.787 2.211 -1.128 492 HA THR 74 HA THR 74 20.239 1.230 -3.846 493 HB THR 74 HB THR 74 21.198 -0.958 -3.054 494 HG1 THR 74 HG1 THR 74 22.575 0.406 -1.030 495 HG21 THR 74 HG21 THR 74 22.499 0.571 -4.454 496 HG22 THR 74 HG22 THR 74 23.538 -0.256 -3.292 497 HG23 THR 74 HG23 THR 74 23.064 1.421 -3.016 498 H ARG 75 HN ARG 75 18.505 -0.025 -4.172 499 HA ARG 75 HA ARG 75 16.780 -0.571 -1.848 500 HB2 ARG 75 HB2 ARG 75 15.991 -0.612 -4.763 501 HB3 ARG 75 HB1 ARG 75 14.926 -0.566 -3.365 502 HG2 ARG 75 HG2 ARG 75 16.803 1.642 -4.183 503 HG3 ARG 75 HG1 ARG 75 15.073 1.596 -4.533 504 HD2 ARG 75 HD2 ARG 75 16.318 1.602 -1.786 505 HD3 ARG 75 HD1 ARG 75 15.580 2.992 -2.580 506 HE ARG 75 HE ARG 75 13.666 0.992 -2.552 507 HH11 ARG 75 HH11 ARG 75 15.492 2.829 -0.203 508 HH12 ARG 75 HH12 ARG 75 14.233 2.788 0.995 509 HH21 ARG 75 HH21 ARG 75 12.015 0.914 -0.966 510 HH22 ARG 75 HH22 ARG 75 12.265 1.691 0.565 511 H ARG 76 HN ARG 76 19.035 -1.984 -3.642 512 HA ARG 76 HA ARG 76 17.759 -4.527 -4.161 513 HB2 ARG 76 HB2 ARG 76 19.440 -3.529 -5.697 514 HB3 ARG 76 HB1 ARG 76 20.650 -3.685 -4.434 515 HG2 ARG 76 HG2 ARG 76 20.393 -6.111 -4.491 516 HG3 ARG 76 HG1 ARG 76 19.189 -5.947 -5.773 517 HD2 ARG 76 HD2 ARG 76 20.889 -4.804 -7.160 518 HD3 ARG 76 HD1 ARG 76 22.077 -5.102 -5.896 519 HE ARG 76 HE ARG 76 20.688 -7.364 -7.146 520 HH11 ARG 76 HH11 ARG 76 23.635 -5.602 -6.470 521 HH12 ARG 76 HH12 ARG 76 24.668 -6.816 -7.153 522 HH21 ARG 76 HH21 ARG 76 22.048 -8.966 -8.052 523 HH22 ARG 76 HH22 ARG 76 23.766 -8.727 -8.055 524 H SER 77 HN SER 77 17.199 -4.855 -1.885 525 HA SER 77 HA SER 77 19.426 -6.115 -0.442 526 HB2 SER 77 HB2 SER 77 18.683 -3.936 0.598 527 HB3 SER 77 HB1 SER 77 17.121 -4.695 0.885 528 HG SER 77 HG SER 77 17.981 -5.976 2.382 529 H ARG 78 HN ARG 78 18.360 -7.806 -1.962 530 HA ARG 78 HA ARG 78 16.031 -9.014 -0.616 531 HB2 ARG 78 HB2 ARG 78 15.889 -8.151 -3.069 532 HB3 ARG 78 HB1 ARG 78 16.806 -9.599 -3.458 533 HG2 ARG 78 HG2 ARG 78 14.516 -10.099 -3.804 534 HG3 ARG 78 HG1 ARG 78 15.009 -10.931 -2.328 535 HD2 ARG 78 HD2 ARG 78 12.826 -9.874 -2.053 536 HD3 ARG 78 HD1 ARG 78 14.024 -9.142 -0.986 537 HE ARG 78 HE ARG 78 13.640 -7.799 -3.525 538 HH11 ARG 78 HH11 ARG 78 12.666 -7.992 -0.166 539 HH12 ARG 78 HH12 ARG 78 12.103 -6.353 -0.104 540 HH21 ARG 78 HH21 ARG 78 12.888 -5.638 -3.444 541 HH22 ARG 78 HH22 ARG 78 12.226 -5.016 -1.963 542 H LYS 79 HN LYS 79 19.292 -9.323 -1.149 543 HA LYS 79 HA LYS 79 19.208 -12.242 -0.748 544 HB2 LYS 79 HB2 LYS 79 21.219 -10.598 -2.292 545 HB3 LYS 79 HB1 LYS 79 21.450 -12.289 -1.877 546 HG2 LYS 79 HG2 LYS 79 19.139 -11.268 -3.511 547 HG3 LYS 79 HG1 LYS 79 20.646 -11.875 -4.200 548 HD2 LYS 79 HD2 LYS 79 18.799 -13.447 -2.403 549 HD3 LYS 79 HD1 LYS 79 18.854 -13.576 -4.160 550 HE2 LYS 79 HE2 LYS 79 21.216 -14.267 -4.007 551 HE3 LYS 79 HE1 LYS 79 21.105 -14.199 -2.250 552 HZ1 LYS 79 HZ1 LYS 79 19.486 -15.971 -3.995 553 HZ2 LYS 79 HZ2 LYS 79 19.445 -15.934 -2.305 554 HZ3 LYS 79 HZ3 LYS 79 20.841 -16.450 -3.106 555 H ALA 80 HN ALA 80 19.395 -9.768 1.046 556 HA ALA 80 HA ALA 80 22.040 -9.923 2.187 557 HB1 ALA 80 HB1 ALA 80 21.236 -8.262 3.770 558 HB2 ALA 80 HB2 ALA 80 19.585 -8.491 3.194 559 HB3 ALA 80 HB3 ALA 80 20.805 -7.804 2.122 560 H GLU 81 HN GLU 81 19.033 -11.488 2.615 561 HA GLU 81 HA GLU 81 19.243 -12.255 5.312 562 HB2 GLU 81 HB2 GLU 81 17.671 -14.099 4.665 563 HB3 GLU 81 HB1 GLU 81 17.133 -12.489 4.209 564 HG2 GLU 81 HG2 GLU 81 17.717 -12.860 1.928 565 HG3 GLU 81 HG1 GLU 81 18.519 -14.379 2.324 566 H ARG 82 HN ARG 82 20.393 -13.780 2.330 567 HA ARG 82 HA ARG 82 21.640 -15.904 3.889 568 HB2 ARG 82 HB2 ARG 82 20.388 -16.374 1.736 569 HB3 ARG 82 HB1 ARG 82 21.704 -15.572 0.890 570 HG2 ARG 82 HG2 ARG 82 23.271 -17.221 1.903 571 HG3 ARG 82 HG1 ARG 82 21.874 -18.071 2.558 572 HD2 ARG 82 HD2 ARG 82 21.026 -18.418 0.290 573 HD3 ARG 82 HD1 ARG 82 22.421 -17.559 -0.363 574 HE ARG 82 HE ARG 82 22.745 -20.015 1.231 575 HH11 ARG 82 HH11 ARG 82 23.267 -18.235 -1.748 576 HH12 ARG 82 HH12 ARG 82 24.402 -19.386 -2.376 577 HH21 ARG 82 HH21 ARG 82 24.231 -21.510 0.413 578 HH22 ARG 82 HH22 ARG 82 24.955 -21.248 -1.143 579 H ALA 83 HN ALA 83 22.849 -13.820 4.715 580 HA ALA 83 HA ALA 83 25.437 -13.828 3.308 581 HB1 ALA 83 HB1 ALA 83 24.166 -11.436 4.638 582 HB2 ALA 83 HB2 ALA 83 24.332 -11.683 2.901 583 HB3 ALA 83 HB3 ALA 83 25.768 -11.482 3.903 584 H LYS 84 HN LYS 84 23.973 -15.008 5.814 585 HA LYS 84 HA LYS 84 26.113 -14.403 7.750 586 HB2 LYS 84 HB2 LYS 84 23.215 -15.103 8.290 587 HB3 LYS 84 HB1 LYS 84 24.452 -14.983 9.528 588 HG2 LYS 84 HG2 LYS 84 23.247 -12.969 9.615 589 HG3 LYS 84 HG1 LYS 84 24.764 -12.580 8.810 590 HD2 LYS 84 HD2 LYS 84 23.660 -12.652 6.645 591 HD3 LYS 84 HD1 LYS 84 22.145 -13.130 7.412 592 HE2 LYS 84 HE2 LYS 84 22.135 -10.758 6.866 593 HE3 LYS 84 HE1 LYS 84 22.075 -11.005 8.610 594 HZ1 LYS 84 HZ1 LYS 84 24.525 -10.330 7.069 595 HZ2 LYS 84 HZ2 LYS 84 24.411 -10.490 8.747 596 HZ3 LYS 84 HZ3 LYS 84 23.604 -9.230 7.964 597 H LEU 85 HN LEU 85 26.645 -16.291 5.946 598 HA LEU 85 HA LEU 85 25.753 -18.892 6.863 599 HB2 LEU 85 HB2 LEU 85 27.766 -18.215 4.711 600 HB3 LEU 85 HB1 LEU 85 27.073 -19.794 5.016 601 HG LEU 85 HG LEU 85 24.802 -18.578 4.519 602 HD11 LEU 85 HD11 LEU 85 25.701 -16.329 4.403 603 HD12 LEU 85 HD12 LEU 85 25.040 -16.811 2.841 604 HD13 LEU 85 HD13 LEU 85 26.784 -16.810 3.097 605 HD21 LEU 85 HD21 LEU 85 25.738 -20.404 3.202 606 HD22 LEU 85 HD22 LEU 85 26.782 -19.265 2.352 607 HD23 LEU 85 HD23 LEU 85 25.032 -19.167 2.162 Start of MODEL 3 1 H1 GLY 11 HT1 GLY 11 -21.138 -11.492 4.401 2 H2 GLY 11 HT2 GLY 11 -22.646 -11.291 3.665 3 H3 GLY 11 HT3 GLY 11 -22.479 -11.054 5.332 4 HA2 GLY 11 HA1 GLY 11 -21.194 -9.398 3.235 5 HA3 GLY 11 HA2 GLY 11 -22.633 -8.947 4.141 6 H ARG 12 HN ARG 12 -20.201 -7.462 4.091 7 HA ARG 12 HA ARG 12 -19.098 -7.956 6.766 8 HB2 ARG 12 HB2 ARG 12 -17.391 -7.861 5.105 9 HB3 ARG 12 HB1 ARG 12 -18.043 -6.381 4.426 10 HG2 ARG 12 HG2 ARG 12 -16.296 -5.543 5.613 11 HG3 ARG 12 HG1 ARG 12 -17.560 -5.464 6.841 12 HD2 ARG 12 HD2 ARG 12 -15.790 -6.435 7.976 13 HD3 ARG 12 HD1 ARG 12 -16.762 -7.822 7.489 14 HE ARG 12 HE ARG 12 -14.666 -7.095 5.636 15 HH11 ARG 12 HH11 ARG 12 -15.515 -9.031 8.423 16 HH12 ARG 12 HH12 ARG 12 -14.235 -10.175 8.183 17 HH21 ARG 12 HH21 ARG 12 -12.964 -8.597 5.314 18 HH22 ARG 12 HH22 ARG 12 -12.797 -9.940 6.405 19 HA PRO 13 HA PRO 13 -21.137 -4.267 8.261 20 HB2 PRO 13 HB2 PRO 13 -19.166 -4.251 10.405 21 HB3 PRO 13 HB1 PRO 13 -20.901 -4.546 10.498 22 HG2 PRO 13 HG2 PRO 13 -19.013 -6.475 10.898 23 HG3 PRO 13 HG1 PRO 13 -20.654 -6.806 10.321 24 HD2 PRO 13 HD2 PRO 13 -18.093 -6.711 8.790 25 HD3 PRO 13 HD1 PRO 13 -19.521 -7.732 8.555 26 H GLY 14 HN GLY 14 -20.172 -3.126 6.381 27 HA2 GLY 14 HA2 GLY 14 -17.586 -1.907 6.685 28 HA3 GLY 14 HA1 GLY 14 -18.753 -1.582 5.410 29 H VAL 15 HN VAL 15 -17.494 -0.590 8.450 30 HA VAL 15 HA VAL 15 -19.483 1.258 9.208 31 HB VAL 15 HB VAL 15 -17.744 2.328 10.587 32 HG11 VAL 15 HG11 VAL 15 -18.886 0.361 11.436 33 HG12 VAL 15 HG12 VAL 15 -17.207 0.381 11.978 34 HG13 VAL 15 HG13 VAL 15 -17.696 -0.685 10.661 35 HG21 VAL 15 HG21 VAL 15 -15.851 0.387 9.262 36 HG22 VAL 15 HG22 VAL 15 -15.460 1.476 10.594 37 HG23 VAL 15 HG23 VAL 15 -15.877 2.132 9.010 38 H PHE 16 HN PHE 16 -16.932 1.380 6.884 39 HA PHE 16 HA PHE 16 -17.948 3.946 5.933 40 HB2 PHE 16 HB2 PHE 16 -15.586 3.836 7.353 41 HB3 PHE 16 HB1 PHE 16 -15.026 3.670 5.693 42 HD1 PHE 16 HD1 PHE 16 -16.781 5.379 4.182 43 HD2 PHE 16 HD2 PHE 16 -15.121 5.969 8.052 44 HE1 PHE 16 HE1 PHE 16 -16.954 7.816 3.879 45 HE2 PHE 16 HE2 PHE 16 -15.290 8.406 7.759 46 HZ PHE 16 HZ PHE 16 -16.209 9.333 5.671 47 H ARG 17 HN ARG 17 -18.321 3.782 3.766 48 HA ARG 17 HA ARG 17 -17.404 1.309 2.515 49 HB2 ARG 17 HB2 ARG 17 -19.638 3.201 1.882 50 HB3 ARG 17 HB1 ARG 17 -19.084 2.038 0.693 51 HG2 ARG 17 HG2 ARG 17 -20.977 1.129 1.828 52 HG3 ARG 17 HG1 ARG 17 -19.545 0.225 2.320 53 HD2 ARG 17 HD2 ARG 17 -20.978 0.699 4.232 54 HD3 ARG 17 HD1 ARG 17 -19.425 1.527 4.375 55 HE ARG 17 HE ARG 17 -21.211 3.286 3.154 56 HH11 ARG 17 HH11 ARG 17 -20.851 1.698 6.260 57 HH12 ARG 17 HH12 ARG 17 -21.628 2.983 7.134 58 HH21 ARG 17 HH21 ARG 17 -22.208 4.968 4.308 59 HH22 ARG 17 HH22 ARG 17 -22.383 4.848 6.030 60 H THR 18 HN THR 18 -16.452 4.476 2.627 61 HA THR 18 HA THR 18 -14.993 4.186 0.098 62 HB THR 18 HB THR 18 -15.260 6.717 -0.178 63 HG1 THR 18 HG1 THR 18 -17.682 6.390 1.247 64 HG21 THR 18 HG21 THR 18 -16.330 5.096 -1.669 65 HG22 THR 18 HG22 THR 18 -17.386 6.479 -1.377 66 HG23 THR 18 HG23 THR 18 -17.685 4.950 -0.549 67 H ARG 19 HN ARG 19 -15.251 6.511 2.807 68 HA ARG 19 HA ARG 19 -13.692 7.446 4.174 69 HB2 ARG 19 HB2 ARG 19 -13.111 5.052 4.648 70 HB3 ARG 19 HB1 ARG 19 -11.896 5.140 3.382 71 HG2 ARG 19 HG2 ARG 19 -10.813 6.995 4.679 72 HG3 ARG 19 HG1 ARG 19 -11.940 6.645 5.990 73 HD2 ARG 19 HD2 ARG 19 -11.078 4.370 6.142 74 HD3 ARG 19 HD1 ARG 19 -9.989 4.678 4.785 75 HE ARG 19 HE ARG 19 -9.116 6.528 6.384 76 HH11 ARG 19 HH11 ARG 19 -10.187 3.323 7.355 77 HH12 ARG 19 HH12 ARG 19 -9.092 3.237 8.696 78 HH21 ARG 19 HH21 ARG 19 -7.664 6.386 8.140 79 HH22 ARG 19 HH22 ARG 19 -7.670 4.968 9.144 80 H GLY 20 HN GLY 20 -13.946 8.440 1.624 81 HA2 GLY 20 HA2 GLY 20 -12.920 9.879 0.164 82 HA3 GLY 20 HA1 GLY 20 -11.617 9.983 1.337 83 H LEU 21 HN LEU 21 -12.856 7.437 -0.837 84 HA LEU 21 HA LEU 21 -10.102 6.853 -1.606 85 HB2 LEU 21 HB2 LEU 21 -12.495 5.287 -1.415 86 HB3 LEU 21 HB1 LEU 21 -11.902 5.224 -3.065 87 HG LEU 21 HG LEU 21 -9.635 4.648 -2.042 88 HD11 LEU 21 HD11 LEU 21 -9.805 3.470 0.129 89 HD12 LEU 21 HD12 LEU 21 -11.405 4.187 0.322 90 HD13 LEU 21 HD13 LEU 21 -9.979 5.221 0.210 91 HD21 LEU 21 HD21 LEU 21 -10.432 2.883 -3.149 92 HD22 LEU 21 HD22 LEU 21 -12.005 2.950 -2.362 93 HD23 LEU 21 HD23 LEU 21 -10.628 2.232 -1.521 94 H THR 22 HN THR 22 -9.294 7.976 -3.221 95 HA THR 22 HA THR 22 -10.902 9.222 -5.217 96 HB THR 22 HB THR 22 -8.702 9.661 -6.337 97 HG1 THR 22 HG1 THR 22 -6.918 9.147 -4.651 98 HG21 THR 22 HG21 THR 22 -8.927 10.370 -3.405 99 HG22 THR 22 HG22 THR 22 -9.618 11.267 -4.758 100 HG23 THR 22 HG23 THR 22 -7.868 11.173 -4.565 101 H ASP 23 HN ASP 23 -10.121 8.811 -7.611 102 HA ASP 23 HA ASP 23 -10.947 6.194 -8.286 103 HB2 ASP 23 HB2 ASP 23 -9.765 8.450 -9.890 104 HB3 ASP 23 HB1 ASP 23 -10.149 6.897 -10.619 105 H GLU 24 HN GLU 24 -7.921 7.475 -7.400 106 HA GLU 24 HA GLU 24 -6.361 5.400 -8.662 107 HB2 GLU 24 HB2 GLU 24 -5.583 7.362 -6.498 108 HB3 GLU 24 HB1 GLU 24 -4.480 6.313 -7.371 109 HG2 GLU 24 HG2 GLU 24 -4.183 8.248 -8.523 110 HG3 GLU 24 HG1 GLU 24 -5.490 7.534 -9.463 111 H GLU 25 HN GLU 25 -7.199 6.230 -5.289 112 HA GLU 25 HA GLU 25 -6.193 3.894 -4.102 113 HB2 GLU 25 HB2 GLU 25 -8.577 5.518 -3.209 114 HB3 GLU 25 HB1 GLU 25 -7.653 4.403 -2.218 115 HG2 GLU 25 HG2 GLU 25 -6.483 6.871 -3.470 116 HG3 GLU 25 HG1 GLU 25 -7.159 6.814 -1.842 117 H TYR 26 HN TYR 26 -9.330 4.644 -5.496 118 HA TYR 26 HA TYR 26 -10.559 2.194 -4.780 119 HB2 TYR 26 HB2 TYR 26 -11.770 4.302 -5.370 120 HB3 TYR 26 HB1 TYR 26 -11.323 4.021 -7.051 121 HD1 TYR 26 HD1 TYR 26 -13.286 2.747 -4.220 122 HD2 TYR 26 HD2 TYR 26 -12.459 2.376 -8.370 123 HE1 TYR 26 HE1 TYR 26 -15.239 1.303 -4.469 124 HE2 TYR 26 HE2 TYR 26 -14.402 0.929 -8.641 125 HH TYR 26 HH TYR 26 -16.787 0.579 -6.219 126 H ASP 27 HN ASP 27 -8.695 3.251 -7.562 127 HA ASP 27 HA ASP 27 -9.225 0.995 -9.189 128 HB2 ASP 27 HB2 ASP 27 -8.197 3.106 -10.036 129 HB3 ASP 27 HB1 ASP 27 -6.738 2.740 -9.123 130 H GLU 28 HN GLU 28 -6.644 1.769 -6.883 131 HA GLU 28 HA GLU 28 -5.224 -0.626 -6.971 132 HB2 GLU 28 HB2 GLU 28 -4.433 1.360 -5.806 133 HB3 GLU 28 HB1 GLU 28 -5.765 1.257 -4.669 134 HG2 GLU 28 HG2 GLU 28 -3.717 0.486 -3.678 135 HG3 GLU 28 HG1 GLU 28 -4.876 -0.829 -3.801 136 H PHE 29 HN PHE 29 -8.025 0.341 -5.091 137 HA PHE 29 HA PHE 29 -8.408 -1.996 -3.613 138 HB2 PHE 29 HB2 PHE 29 -9.594 0.018 -3.061 139 HB3 PHE 29 HB1 PHE 29 -10.351 0.077 -4.648 140 HD1 PHE 29 HD1 PHE 29 -10.021 -2.446 -1.931 141 HD2 PHE 29 HD2 PHE 29 -12.581 -0.384 -4.618 142 HE1 PHE 29 HE1 PHE 29 -11.940 -3.669 -1.024 143 HE2 PHE 29 HE2 PHE 29 -14.516 -1.610 -3.721 144 HZ PHE 29 HZ PHE 29 -14.186 -3.248 -1.908 145 H LYS 30 HN LYS 30 -9.630 -1.094 -6.838 146 HA LYS 30 HA LYS 30 -11.214 -3.393 -7.227 147 HB2 LYS 30 HB2 LYS 30 -9.803 -1.708 -9.311 148 HB3 LYS 30 HB1 LYS 30 -11.085 -2.863 -9.636 149 HG2 LYS 30 HG2 LYS 30 -12.537 -1.466 -8.108 150 HG3 LYS 30 HG1 LYS 30 -11.267 -0.250 -8.175 151 HD2 LYS 30 HD2 LYS 30 -12.638 -1.406 -10.596 152 HD3 LYS 30 HD1 LYS 30 -13.115 0.100 -9.817 153 HE2 LYS 30 HE2 LYS 30 -10.955 1.069 -10.288 154 HE3 LYS 30 HE1 LYS 30 -10.387 -0.459 -10.953 155 HZ1 LYS 30 HZ1 LYS 30 -12.571 1.211 -12.061 156 HZ2 LYS 30 HZ2 LYS 30 -12.059 -0.268 -12.696 157 HZ3 LYS 30 HZ3 LYS 30 -11.014 1.061 -12.703 158 H LYS 31 HN LYS 31 -7.885 -2.666 -8.243 159 HA LYS 31 HA LYS 31 -7.264 -5.086 -9.453 160 HB2 LYS 31 HB2 LYS 31 -5.505 -3.274 -7.813 161 HB3 LYS 31 HB1 LYS 31 -4.907 -4.606 -8.788 162 HG2 LYS 31 HG2 LYS 31 -5.750 -3.534 -10.802 163 HG3 LYS 31 HG1 LYS 31 -6.393 -2.204 -9.835 164 HD2 LYS 31 HD2 LYS 31 -3.484 -2.988 -10.023 165 HD3 LYS 31 HD1 LYS 31 -4.234 -1.633 -10.868 166 HE2 LYS 31 HE2 LYS 31 -4.745 -0.547 -8.802 167 HE3 LYS 31 HE1 LYS 31 -4.227 -1.956 -7.882 168 HZ1 LYS 31 HZ1 LYS 31 -2.495 -0.392 -7.760 169 HZ2 LYS 31 HZ2 LYS 31 -2.542 -0.076 -9.422 170 HZ3 LYS 31 HZ3 LYS 31 -1.967 -1.565 -8.862 171 H ARG 32 HN ARG 32 -6.971 -4.116 -6.086 172 HA ARG 32 HA ARG 32 -5.970 -6.522 -5.077 173 HB2 ARG 32 HB2 ARG 32 -7.491 -4.271 -3.840 174 HB3 ARG 32 HB1 ARG 32 -6.936 -5.633 -2.891 175 HG2 ARG 32 HG2 ARG 32 -4.634 -5.144 -3.574 176 HG3 ARG 32 HG1 ARG 32 -5.214 -3.749 -4.484 177 HD2 ARG 32 HD2 ARG 32 -6.142 -2.841 -2.372 178 HD3 ARG 32 HD1 ARG 32 -5.386 -4.180 -1.510 179 HE ARG 32 HE ARG 32 -3.705 -2.420 -3.150 180 HH11 ARG 32 HH11 ARG 32 -4.636 -3.640 -0.002 181 HH12 ARG 32 HH12 ARG 32 -3.325 -2.859 0.839 182 HH21 ARG 32 HH21 ARG 32 -1.990 -1.373 -2.048 183 HH22 ARG 32 HH22 ARG 32 -1.833 -1.567 -0.332 184 H ARG 33 HN ARG 33 -9.302 -5.315 -5.296 185 HA ARG 33 HA ARG 33 -10.506 -7.512 -4.012 186 HB2 ARG 33 HB2 ARG 33 -11.677 -5.412 -4.250 187 HB3 ARG 33 HB1 ARG 33 -11.647 -5.548 -6.000 188 HG2 ARG 33 HG2 ARG 33 -13.277 -7.170 -6.035 189 HG3 ARG 33 HG1 ARG 33 -12.968 -7.672 -4.375 190 HD2 ARG 33 HD2 ARG 33 -13.938 -5.642 -3.534 191 HD3 ARG 33 HD1 ARG 33 -14.167 -5.023 -5.169 192 HE ARG 33 HE ARG 33 -15.604 -7.207 -5.344 193 HH11 ARG 33 HH11 ARG 33 -15.376 -5.036 -2.610 194 HH12 ARG 33 HH12 ARG 33 -17.007 -5.309 -2.091 195 HH21 ARG 33 HH21 ARG 33 -17.727 -7.621 -4.638 196 HH22 ARG 33 HH22 ARG 33 -18.338 -6.810 -3.227 197 H GLU 34 HN GLU 34 -9.826 -6.878 -7.422 198 HA GLU 34 HA GLU 34 -11.028 -9.184 -8.478 199 HB2 GLU 34 HB2 GLU 34 -10.249 -7.304 -9.857 200 HB3 GLU 34 HB1 GLU 34 -8.584 -7.688 -9.445 201 HG2 GLU 34 HG2 GLU 34 -8.741 -9.795 -10.607 202 HG3 GLU 34 HG1 GLU 34 -10.449 -9.510 -10.945 203 H SER 35 HN SER 35 -7.794 -8.616 -7.177 204 HA SER 35 HA SER 35 -6.721 -11.156 -7.716 205 HB2 SER 35 HB2 SER 35 -5.423 -9.110 -7.061 206 HB3 SER 35 HB1 SER 35 -6.010 -9.324 -5.414 207 HG SER 35 HG SER 35 -4.905 -11.599 -6.472 208 H ARG 36 HN ARG 36 -8.821 -9.991 -5.182 209 HA ARG 36 HA ARG 36 -8.578 -12.468 -3.666 210 HB2 ARG 36 HB2 ARG 36 -9.982 -9.870 -3.221 211 HB3 ARG 36 HB1 ARG 36 -10.532 -11.287 -2.349 212 HG2 ARG 36 HG2 ARG 36 -9.048 -10.552 -0.821 213 HG3 ARG 36 HG1 ARG 36 -7.906 -11.439 -1.832 214 HD2 ARG 36 HD2 ARG 36 -7.544 -9.302 -3.092 215 HD3 ARG 36 HD1 ARG 36 -8.499 -8.498 -1.860 216 HE ARG 36 HE ARG 36 -6.723 -9.530 -0.289 217 HH11 ARG 36 HH11 ARG 36 -6.133 -8.287 -3.506 218 HH12 ARG 36 HH12 ARG 36 -4.512 -7.779 -3.156 219 HH21 ARG 36 HH21 ARG 36 -4.589 -8.868 0.181 220 HH22 ARG 36 HH22 ARG 36 -3.632 -8.108 -1.053 221 H GLY 37 HN GLY 37 -9.940 -11.897 -6.459 222 HA2 GLY 37 HA2 GLY 37 -11.515 -13.069 -7.653 223 HA3 GLY 37 HA1 GLY 37 -11.787 -14.052 -6.225 224 H GLY 38 HN GLY 38 -12.104 -10.634 -5.915 225 HA2 GLY 38 HA2 GLY 38 -14.024 -9.283 -6.022 226 HA3 GLY 38 HA1 GLY 38 -14.997 -10.717 -6.306 227 H LYS 39 HN LYS 39 -13.148 -11.707 -3.909 228 HA LYS 39 HA LYS 39 -15.114 -10.988 -1.881 229 HB2 LYS 39 HB2 LYS 39 -12.882 -13.007 -1.772 230 HB3 LYS 39 HB1 LYS 39 -14.142 -12.786 -0.563 231 HG2 LYS 39 HG2 LYS 39 -15.738 -13.187 -2.598 232 HG3 LYS 39 HG1 LYS 39 -14.313 -13.976 -3.279 233 HD2 LYS 39 HD2 LYS 39 -14.160 -15.349 -1.226 234 HD3 LYS 39 HD1 LYS 39 -15.660 -14.604 -0.670 235 HE2 LYS 39 HE2 LYS 39 -15.321 -16.243 -3.181 236 HE3 LYS 39 HE1 LYS 39 -16.073 -16.793 -1.686 237 HZ1 LYS 39 HZ1 LYS 39 -17.741 -15.015 -1.981 238 HZ2 LYS 39 HZ2 LYS 39 -17.767 -16.157 -3.223 239 HZ3 LYS 39 HZ3 LYS 39 -17.058 -14.645 -3.483 240 H TYR 40 HN TYR 40 -14.135 -8.766 -2.036 241 HA TYR 40 HA TYR 40 -12.141 -8.422 0.047 242 HB2 TYR 40 HB2 TYR 40 -10.926 -8.652 -2.155 243 HB3 TYR 40 HB1 TYR 40 -11.729 -7.173 -2.658 244 HD1 TYR 40 HD1 TYR 40 -9.950 -8.250 0.449 245 HD2 TYR 40 HD2 TYR 40 -10.280 -5.395 -2.678 246 HE1 TYR 40 HE1 TYR 40 -8.126 -6.949 1.453 247 HE2 TYR 40 HE2 TYR 40 -8.451 -4.089 -1.688 248 HH TYR 40 HH TYR 40 -7.337 -3.781 0.405 249 H SER 41 HN SER 41 -13.487 -7.186 1.324 250 HA SER 41 HA SER 41 -15.253 -5.246 0.171 251 HB2 SER 41 HB2 SER 41 -14.716 -4.883 2.966 252 HB3 SER 41 HB1 SER 41 -16.235 -5.211 2.173 253 HG SER 41 HG SER 41 -14.284 -7.070 3.057 254 H ILE 42 HN ILE 42 -15.224 -2.947 0.969 255 HA ILE 42 HA ILE 42 -12.743 -1.764 0.305 256 HB ILE 42 HB ILE 42 -15.083 -0.741 0.118 257 HG12 ILE 42 HG12 ILE 42 -13.913 1.574 0.873 258 HG13 ILE 42 HG11 ILE 42 -12.514 0.504 0.811 259 HG21 ILE 42 HG21 ILE 42 -15.703 0.745 1.977 260 HG22 ILE 42 HG22 ILE 42 -14.423 0.022 2.953 261 HG23 ILE 42 HG23 ILE 42 -15.793 -0.961 2.417 262 HD11 ILE 42 HD11 ILE 42 -12.800 1.672 -1.264 263 HD12 ILE 42 HD12 ILE 42 -14.428 1.019 -1.431 264 HD13 ILE 42 HD13 ILE 42 -13.032 -0.059 -1.483 265 H ASP 43 HN ASP 43 -14.299 -2.587 3.337 266 HA ASP 43 HA ASP 43 -12.581 -1.054 4.986 267 HB2 ASP 43 HB2 ASP 43 -13.481 -2.495 6.821 268 HB3 ASP 43 HB1 ASP 43 -14.726 -1.737 5.834 269 H ASP 44 HN ASP 44 -12.397 -4.264 3.617 270 HA ASP 44 HA ASP 44 -10.130 -5.157 5.058 271 HB2 ASP 44 HB2 ASP 44 -11.124 -5.844 2.283 272 HB3 ASP 44 HB1 ASP 44 -9.758 -6.640 3.044 273 H TYR 45 HN TYR 45 -10.599 -3.203 2.200 274 HA TYR 45 HA TYR 45 -7.815 -2.874 1.637 275 HB2 TYR 45 HB2 TYR 45 -9.388 -2.578 -0.162 276 HB3 TYR 45 HB1 TYR 45 -10.263 -1.332 0.728 277 HD1 TYR 45 HD2 TYR 45 -6.967 -2.097 -0.816 278 HD2 TYR 45 HD1 TYR 45 -9.657 0.934 0.477 279 HE1 TYR 45 HE2 TYR 45 -5.525 -0.400 -1.846 280 HE2 TYR 45 HE1 TYR 45 -8.205 2.655 -0.552 281 HH TYR 45 HH TYR 45 -5.915 2.959 -1.250 282 H LEU 46 HN LEU 46 -10.289 -0.942 3.222 283 HA LEU 46 HA LEU 46 -8.773 1.372 3.627 284 HB2 LEU 46 HB2 LEU 46 -11.124 0.273 5.166 285 HB3 LEU 46 HB1 LEU 46 -10.502 1.894 5.344 286 HG LEU 46 HG LEU 46 -11.704 0.749 2.828 287 HD11 LEU 46 HD11 LEU 46 -13.350 1.194 4.576 288 HD12 LEU 46 HD12 LEU 46 -13.499 2.349 3.252 289 HD13 LEU 46 HD13 LEU 46 -12.723 2.832 4.761 290 HD21 LEU 46 HD21 LEU 46 -11.523 3.040 1.984 291 HD22 LEU 46 HD22 LEU 46 -9.945 2.326 2.311 292 HD23 LEU 46 HD23 LEU 46 -10.635 3.496 3.434 293 H ALA 47 HN ALA 47 -8.923 -1.607 5.466 294 HA ALA 47 HA ALA 47 -7.594 -0.558 7.769 295 HB1 ALA 47 HB1 ALA 47 -7.328 -2.888 8.438 296 HB2 ALA 47 HB2 ALA 47 -7.835 -3.418 6.835 297 HB3 ALA 47 HB3 ALA 47 -8.973 -2.576 7.887 298 H ASP 48 HN ASP 48 -6.523 -2.261 4.844 299 HA ASP 48 HA ASP 48 -3.753 -2.203 5.653 300 HB2 ASP 48 HB2 ASP 48 -4.698 -3.922 4.086 301 HB3 ASP 48 HB1 ASP 48 -4.900 -2.654 2.883 302 H ARG 49 HN ARG 49 -5.955 -0.201 3.891 303 HA ARG 49 HA ARG 49 -4.104 1.628 2.771 304 HB2 ARG 49 HB2 ARG 49 -6.496 1.430 2.117 305 HB3 ARG 49 HB1 ARG 49 -6.936 2.141 3.664 306 HG2 ARG 49 HG2 ARG 49 -5.701 4.158 3.079 307 HG3 ARG 49 HG1 ARG 49 -5.306 3.451 1.509 308 HD2 ARG 49 HD2 ARG 49 -7.732 3.232 1.097 309 HD3 ARG 49 HD1 ARG 49 -8.032 4.149 2.567 310 HE ARG 49 HE ARG 49 -6.409 5.276 0.369 311 HH11 ARG 49 HH11 ARG 49 -9.131 5.452 2.551 312 HH12 ARG 49 HH12 ARG 49 -9.586 7.058 2.087 313 HH21 ARG 49 HH21 ARG 49 -6.983 7.411 -0.238 314 HH22 ARG 49 HH22 ARG 49 -8.375 8.166 0.476 315 H GLU 50 HN GLU 50 -5.789 1.408 5.869 316 HA GLU 50 HA GLU 50 -4.926 3.899 6.880 317 HB2 GLU 50 HB2 GLU 50 -5.996 3.309 8.826 318 HB3 GLU 50 HB1 GLU 50 -6.761 2.169 7.728 319 HG2 GLU 50 HG2 GLU 50 -6.221 0.628 9.224 320 HG3 GLU 50 HG1 GLU 50 -4.582 0.768 8.592 321 H ARG 51 HN ARG 51 -3.504 0.728 6.686 322 HA ARG 51 HA ARG 51 -1.230 1.141 8.286 323 HB2 ARG 51 HB2 ARG 51 -1.399 -0.460 5.728 324 HB3 ARG 51 HB1 ARG 51 -0.181 -0.631 6.981 325 HG2 ARG 51 HG2 ARG 51 -3.094 -1.134 7.454 326 HG3 ARG 51 HG1 ARG 51 -1.984 -2.382 6.902 327 HD2 ARG 51 HD2 ARG 51 -2.083 -2.663 9.206 328 HD3 ARG 51 HD1 ARG 51 -0.580 -1.784 8.941 329 HE ARG 51 HE ARG 51 -2.730 -0.001 9.471 330 HH11 ARG 51 HH11 ARG 51 -0.500 -2.208 11.010 331 HH12 ARG 51 HH12 ARG 51 -0.622 -1.453 12.564 332 HH21 ARG 51 HH21 ARG 51 -2.909 1.001 11.521 333 HH22 ARG 51 HH22 ARG 51 -1.985 0.373 12.860 334 H GLU 52 HN GLU 52 -1.882 1.688 4.888 335 HA GLU 52 HA GLU 52 0.635 2.455 4.038 336 HB2 GLU 52 HB2 GLU 52 -2.019 3.423 2.989 337 HB3 GLU 52 HB1 GLU 52 -0.480 3.525 2.141 338 HG2 GLU 52 HG2 GLU 52 -0.362 1.023 2.306 339 HG3 GLU 52 HG1 GLU 52 -2.019 1.064 2.876 340 H GLU 53 HN GLU 53 -1.872 4.349 5.585 341 HA GLU 53 HA GLU 53 -0.897 6.918 5.141 342 HB2 GLU 53 HB2 GLU 53 -2.216 5.910 7.667 343 HB3 GLU 53 HB1 GLU 53 -2.156 7.577 7.112 344 HG2 GLU 53 HG2 GLU 53 -3.533 5.334 5.662 345 HG3 GLU 53 HG1 GLU 53 -4.331 6.490 6.726 346 H GLU 54 HN GLU 54 -0.101 4.588 7.667 347 HA GLU 54 HA GLU 54 1.740 6.341 9.000 348 HB2 GLU 54 HB2 GLU 54 0.440 4.506 10.114 349 HB3 GLU 54 HB1 GLU 54 1.453 3.349 9.263 350 HG2 GLU 54 HG2 GLU 54 2.330 3.539 11.433 351 HG3 GLU 54 HG1 GLU 54 3.428 4.426 10.378 352 H LEU 55 HN LEU 55 1.844 4.025 6.488 353 HA LEU 55 HA LEU 55 4.701 3.585 6.655 354 HB2 LEU 55 HB2 LEU 55 2.777 2.663 4.520 355 HB3 LEU 55 HB1 LEU 55 4.385 2.034 4.834 356 HG LEU 55 HG LEU 55 2.019 1.794 6.697 357 HD11 LEU 55 HD11 LEU 55 1.797 0.416 4.685 358 HD12 LEU 55 HD12 LEU 55 2.020 -0.556 6.139 359 HD13 LEU 55 HD13 LEU 55 3.367 -0.315 5.023 360 HD21 LEU 55 HD21 LEU 55 4.064 1.903 7.960 361 HD22 LEU 55 HD22 LEU 55 4.821 0.705 6.908 362 HD23 LEU 55 HD23 LEU 55 3.474 0.241 7.948 363 H LEU 56 HN LEU 56 2.757 5.966 5.416 364 HA LEU 56 HA LEU 56 4.222 6.703 3.092 365 HB2 LEU 56 HB2 LEU 56 2.574 8.370 4.998 366 HB3 LEU 56 HB1 LEU 56 3.234 8.962 3.488 367 HG LEU 56 HG LEU 56 1.237 6.710 3.703 368 HD11 LEU 56 HD11 LEU 56 -0.405 8.317 2.943 369 HD12 LEU 56 HD12 LEU 56 0.812 9.591 2.924 370 HD13 LEU 56 HD13 LEU 56 0.318 8.865 4.454 371 HD21 LEU 56 HD21 LEU 56 2.258 8.280 1.336 372 HD22 LEU 56 HD22 LEU 56 0.984 7.062 1.292 373 HD23 LEU 56 HD23 LEU 56 2.632 6.597 1.707 374 H GLU 57 HN GLU 57 4.191 8.048 6.375 375 HA GLU 57 HA GLU 57 6.809 9.220 5.912 376 HB2 GLU 57 HB2 GLU 57 4.871 9.480 8.212 377 HB3 GLU 57 HB1 GLU 57 6.439 10.273 8.152 378 HG2 GLU 57 HG2 GLU 57 4.138 10.694 6.261 379 HG3 GLU 57 HG1 GLU 57 4.701 11.809 7.508 380 H ARG 58 HN ARG 58 8.258 7.636 5.975 381 HA ARG 58 HA ARG 58 8.123 5.514 7.909 382 HB2 ARG 58 HB2 ARG 58 10.216 6.212 5.847 383 HB3 ARG 58 HB1 ARG 58 10.208 4.743 6.815 384 HG2 ARG 58 HG2 ARG 58 8.200 3.984 5.777 385 HG3 ARG 58 HG1 ARG 58 7.977 5.532 4.960 386 HD2 ARG 58 HD2 ARG 58 10.005 5.151 3.665 387 HD3 ARG 58 HD1 ARG 58 10.262 3.620 4.500 388 HE ARG 58 HE ARG 58 8.253 2.788 3.435 389 HH11 ARG 58 HH11 ARG 58 9.552 5.778 2.135 390 HH12 ARG 58 HH12 ARG 58 8.824 5.555 0.577 391 HH21 ARG 58 HH21 ARG 58 7.298 2.506 1.397 392 HH22 ARG 58 HH22 ARG 58 7.534 3.696 0.158 393 H ASP 59 HN ASP 59 8.330 6.484 9.894 394 HA ASP 59 HA ASP 59 10.300 8.279 10.720 395 HB2 ASP 59 HB2 ASP 59 9.030 6.042 12.307 396 HB3 ASP 59 HB1 ASP 59 9.867 7.428 12.994 397 H GLU 60 HN GLU 60 10.329 4.815 10.352 398 HA GLU 60 HA GLU 60 12.784 4.312 11.674 399 HB2 GLU 60 HB2 GLU 60 12.614 2.087 10.676 400 HB3 GLU 60 HB1 GLU 60 11.071 2.594 11.350 401 HG2 GLU 60 HG2 GLU 60 10.486 3.343 8.981 402 HG3 GLU 60 HG1 GLU 60 11.881 2.394 8.473 403 H GLU 61 HN GLU 61 12.212 5.867 8.764 404 HA GLU 61 HA GLU 61 14.263 4.664 7.167 405 HB2 GLU 61 HB2 GLU 61 12.100 6.151 6.568 406 HB3 GLU 61 HB1 GLU 61 13.325 7.410 6.551 407 HG2 GLU 61 HG2 GLU 61 13.346 4.899 4.892 408 HG3 GLU 61 HG1 GLU 61 12.941 6.516 4.329 409 H GLU 62 HN GLU 62 14.030 8.063 8.329 410 HA GLU 62 HA GLU 62 16.822 8.039 9.046 411 HB2 GLU 62 HB2 GLU 62 16.791 8.246 6.555 412 HB3 GLU 62 HB1 GLU 62 15.940 9.769 6.740 413 HG2 GLU 62 HG2 GLU 62 17.852 10.669 7.984 414 HG3 GLU 62 HG1 GLU 62 18.707 9.144 7.738 415 H ALA 63 HN ALA 63 15.306 10.964 7.838 416 HA ALA 63 HA ALA 63 15.220 11.933 10.620 417 HB1 ALA 63 HB1 ALA 63 16.956 12.977 9.203 418 HB2 ALA 63 HB2 ALA 63 15.765 14.132 9.799 419 HB3 ALA 63 HB3 ALA 63 15.686 13.565 8.131 420 H ILE 64 HN ILE 64 13.003 10.794 10.227 421 HA ILE 64 HA ILE 64 11.122 12.760 9.121 422 HB ILE 64 HB ILE 64 10.749 9.786 9.472 423 HG12 ILE 64 HG12 ILE 64 10.471 10.075 6.878 424 HG13 ILE 64 HG11 ILE 64 11.405 11.541 7.140 425 HG21 ILE 64 HG21 ILE 64 8.649 10.963 9.818 426 HG22 ILE 64 HG22 ILE 64 8.626 10.087 8.288 427 HG23 ILE 64 HG23 ILE 64 8.873 11.833 8.301 428 HD11 ILE 64 HD11 ILE 64 12.272 8.750 7.845 429 HD12 ILE 64 HD12 ILE 64 13.206 10.221 8.124 430 HD13 ILE 64 HD13 ILE 64 12.835 9.709 6.476 431 H PHE 65 HN PHE 65 11.915 10.769 11.851 432 HA PHE 65 HA PHE 65 9.527 11.515 13.315 433 HB2 PHE 65 HB2 PHE 65 10.414 10.040 15.078 434 HB3 PHE 65 HB1 PHE 65 10.349 9.225 13.521 435 HD1 PHE 65 HD2 PHE 65 12.544 9.221 12.141 436 HD2 PHE 65 HD1 PHE 65 12.361 9.979 16.324 437 HE1 PHE 65 HE2 PHE 65 14.913 8.634 12.338 438 HE2 PHE 65 HE1 PHE 65 14.740 9.384 16.536 439 HZ PHE 65 HZ PHE 65 16.021 8.708 14.541 440 H GLY 66 HN GLY 66 12.414 12.967 12.696 441 HA2 GLY 66 HA2 GLY 66 12.110 15.011 14.564 442 HA3 GLY 66 HA1 GLY 66 13.253 13.858 15.236 443 H ASP 67 HN ASP 67 14.773 15.623 15.139 444 HA ASP 67 HA ASP 67 15.623 16.495 12.502 445 HB2 ASP 67 HB2 ASP 67 15.544 18.171 14.247 446 HB3 ASP 67 HB1 ASP 67 16.606 17.208 15.270 447 H GLY 68 HN GLY 68 16.917 14.650 15.233 448 HA2 GLY 68 HA2 GLY 68 19.410 14.089 13.920 449 HA3 GLY 68 HA1 GLY 68 18.827 13.359 15.409 450 H PHE 69 HN PHE 69 19.975 12.380 12.700 451 HA PHE 69 HA PHE 69 17.926 10.312 12.276 452 HB2 PHE 69 HB2 PHE 69 18.720 10.236 9.881 453 HB3 PHE 69 HB1 PHE 69 17.820 11.675 10.337 454 HD1 PHE 69 HD1 PHE 69 21.113 10.340 9.429 455 HD2 PHE 69 HD2 PHE 69 18.883 13.835 10.392 456 HE1 PHE 69 HE1 PHE 69 22.950 11.742 8.587 457 HE2 PHE 69 HE2 PHE 69 20.717 15.241 9.553 458 HZ PHE 69 HZ PHE 69 22.753 14.193 8.649 459 H GLY 70 HN GLY 70 20.225 10.260 14.029 460 HA2 GLY 70 HA2 GLY 70 22.209 8.578 12.771 461 HA3 GLY 70 HA1 GLY 70 22.125 9.004 14.475 462 H LEU 71 HN LEU 71 19.612 7.528 12.504 463 HA LEU 71 HA LEU 71 19.360 5.405 14.477 464 HB2 LEU 71 HB2 LEU 71 17.380 6.688 13.682 465 HB3 LEU 71 HB1 LEU 71 17.637 6.028 12.080 466 HG LEU 71 HG LEU 71 17.255 3.752 12.991 467 HD11 LEU 71 HD11 LEU 71 16.549 5.254 15.510 468 HD12 LEU 71 HD12 LEU 71 17.892 4.130 15.299 469 HD13 LEU 71 HD13 LEU 71 16.231 3.543 15.218 470 HD21 LEU 71 HD21 LEU 71 14.834 4.006 13.273 471 HD22 LEU 71 HD22 LEU 71 15.443 4.973 11.929 472 HD23 LEU 71 HD23 LEU 71 15.043 5.747 13.464 473 H LYS 72 HN LYS 72 18.938 5.293 10.945 474 HA LYS 72 HA LYS 72 20.471 2.788 10.946 475 HB2 LYS 72 HB2 LYS 72 18.444 3.877 8.994 476 HB3 LYS 72 HB1 LYS 72 19.402 2.434 8.692 477 HG2 LYS 72 HG2 LYS 72 18.442 1.402 10.706 478 HG3 LYS 72 HG1 LYS 72 17.447 2.840 10.945 479 HD2 LYS 72 HD2 LYS 72 16.371 2.453 8.782 480 HD3 LYS 72 HD1 LYS 72 17.370 1.018 8.542 481 HE2 LYS 72 HE2 LYS 72 15.106 0.466 9.346 482 HE3 LYS 72 HE1 LYS 72 16.364 -0.045 10.471 483 HZ1 LYS 72 HZ1 LYS 72 15.904 1.828 11.855 484 HZ2 LYS 72 HZ2 LYS 72 14.441 1.037 11.551 485 HZ3 LYS 72 HZ3 LYS 72 14.814 2.472 10.731 486 H ALA 73 HN ALA 73 20.829 6.008 10.269 487 HA ALA 73 HA ALA 73 22.534 5.816 7.976 488 HB1 ALA 73 HB1 ALA 73 21.340 7.887 8.522 489 HB2 ALA 73 HB2 ALA 73 23.082 8.147 8.432 490 HB3 ALA 73 HB3 ALA 73 22.286 8.039 10.002 491 H THR 74 HN THR 74 22.913 4.590 10.914 492 HA THR 74 HA THR 74 25.580 5.336 11.582 493 HB THR 74 HB THR 74 25.345 3.079 12.929 494 HG1 THR 74 HG1 THR 74 22.698 3.398 13.169 495 HG21 THR 74 HG21 THR 74 24.148 4.291 14.706 496 HG22 THR 74 HG22 THR 74 23.711 5.544 13.544 497 HG23 THR 74 HG23 THR 74 25.404 5.282 13.963 498 H ARG 75 HN ARG 75 24.359 2.119 10.690 499 HA ARG 75 HA ARG 75 26.538 1.745 8.809 500 HB2 ARG 75 HB2 ARG 75 26.344 0.346 11.448 501 HB3 ARG 75 HB1 ARG 75 27.054 -0.487 10.070 502 HG2 ARG 75 HG2 ARG 75 28.754 1.200 9.869 503 HG3 ARG 75 HG1 ARG 75 27.990 2.172 11.126 504 HD2 ARG 75 HD2 ARG 75 28.436 0.451 12.770 505 HD3 ARG 75 HD1 ARG 75 29.118 -0.593 11.523 506 HE ARG 75 HE ARG 75 30.641 1.619 11.327 507 HH11 ARG 75 HH11 ARG 75 29.713 -0.361 14.061 508 HH12 ARG 75 HH12 ARG 75 31.166 -0.043 14.948 509 HH21 ARG 75 HH21 ARG 75 32.552 2.041 12.484 510 HH22 ARG 75 HH22 ARG 75 32.785 1.331 14.051 511 H ARG 76 HN ARG 76 24.304 1.807 7.702 512 HA ARG 76 HA ARG 76 23.340 -0.972 7.512 513 HB2 ARG 76 HB2 ARG 76 21.750 1.585 7.338 514 HB3 ARG 76 HB1 ARG 76 21.138 0.044 6.756 515 HG2 ARG 76 HG2 ARG 76 21.952 0.661 9.586 516 HG3 ARG 76 HG1 ARG 76 20.300 0.552 8.980 517 HD2 ARG 76 HD2 ARG 76 22.331 -1.675 9.072 518 HD3 ARG 76 HD1 ARG 76 20.918 -1.504 10.108 519 HE ARG 76 HE ARG 76 19.855 -1.525 7.616 520 HH11 ARG 76 HH11 ARG 76 22.077 -3.662 9.279 521 HH12 ARG 76 HH12 ARG 76 21.536 -5.081 8.436 522 HH21 ARG 76 HH21 ARG 76 19.147 -3.385 6.506 523 HH22 ARG 76 HH22 ARG 76 19.879 -4.923 6.858 524 H SER 77 HN SER 77 25.307 0.897 6.029 525 HA SER 77 HA SER 77 24.299 1.225 3.412 526 HB2 SER 77 HB2 SER 77 27.152 0.995 4.357 527 HB3 SER 77 HB1 SER 77 26.641 1.613 2.790 528 HG SER 77 HG SER 77 25.629 3.322 3.820 529 H ARG 78 HN ARG 78 23.683 -0.371 2.134 530 HA ARG 78 HA ARG 78 24.530 -3.075 2.575 531 HB2 ARG 78 HB2 ARG 78 22.870 -1.903 0.339 532 HB3 ARG 78 HB1 ARG 78 23.061 -3.613 0.676 533 HG2 ARG 78 HG2 ARG 78 21.850 -1.648 2.606 534 HG3 ARG 78 HG1 ARG 78 20.918 -2.619 1.468 535 HD2 ARG 78 HD2 ARG 78 20.851 -3.757 3.546 536 HD3 ARG 78 HD1 ARG 78 21.966 -4.654 2.519 537 HE ARG 78 HE ARG 78 23.295 -2.724 4.164 538 HH11 ARG 78 HH11 ARG 78 21.949 -5.952 4.111 539 HH12 ARG 78 HH12 ARG 78 22.940 -6.529 5.411 540 HH21 ARG 78 HH21 ARG 78 24.615 -3.487 5.878 541 HH22 ARG 78 HH22 ARG 78 24.448 -5.127 6.419 542 H LYS 79 HN LYS 79 26.146 -4.115 1.673 543 HA LYS 79 HA LYS 79 27.927 -4.651 0.390 544 HB2 LYS 79 HB2 LYS 79 26.279 -3.260 -1.726 545 HB3 LYS 79 HB1 LYS 79 27.743 -4.172 -2.065 546 HG2 LYS 79 HG2 LYS 79 25.297 -5.330 -0.747 547 HG3 LYS 79 HG1 LYS 79 25.640 -5.426 -2.475 548 HD2 LYS 79 HD2 LYS 79 27.684 -6.658 -2.026 549 HD3 LYS 79 HD1 LYS 79 27.423 -6.499 -0.289 550 HE2 LYS 79 HE2 LYS 79 25.545 -7.907 -2.180 551 HE3 LYS 79 HE1 LYS 79 26.769 -8.715 -1.202 552 HZ1 LYS 79 HZ1 LYS 79 24.509 -7.101 -0.149 553 HZ2 LYS 79 HZ2 LYS 79 25.673 -7.900 0.785 554 HZ3 LYS 79 HZ3 LYS 79 24.590 -8.789 -0.160 555 H ALA 80 HN ALA 80 28.223 -2.371 1.955 556 HA ALA 80 HA ALA 80 29.533 -0.365 0.324 557 HB1 ALA 80 HB1 ALA 80 29.297 -0.554 3.322 558 HB2 ALA 80 HB2 ALA 80 28.203 0.327 2.258 559 HB3 ALA 80 HB3 ALA 80 29.884 0.833 2.408 560 H GLU 81 HN GLU 81 31.359 -1.124 -0.538 561 HA GLU 81 HA GLU 81 33.525 -1.736 -0.724 562 HB2 GLU 81 HB2 GLU 81 33.836 0.110 0.894 563 HB3 GLU 81 HB1 GLU 81 33.681 -1.044 2.210 564 HG2 GLU 81 HG2 GLU 81 35.669 -2.224 1.394 565 HG3 GLU 81 HG1 GLU 81 35.840 -1.017 0.117 566 H ARG 82 HN ARG 82 32.391 -3.880 -0.939 567 HA ARG 82 HA ARG 82 33.965 -5.766 0.554 568 HB2 ARG 82 HB2 ARG 82 31.985 -5.538 2.009 569 HB3 ARG 82 HB1 ARG 82 30.944 -5.954 0.655 570 HG2 ARG 82 HG2 ARG 82 31.957 -8.163 0.535 571 HG3 ARG 82 HG1 ARG 82 33.038 -7.742 1.861 572 HD2 ARG 82 HD2 ARG 82 31.150 -7.480 3.357 573 HD3 ARG 82 HD1 ARG 82 30.031 -7.817 2.036 574 HE ARG 82 HE ARG 82 31.879 -9.948 2.346 575 HH11 ARG 82 HH11 ARG 82 29.058 -8.544 3.873 576 HH12 ARG 82 HH12 ARG 82 28.514 -10.056 4.531 577 HH21 ARG 82 HH21 ARG 82 31.184 -11.915 3.206 578 HH22 ARG 82 HH22 ARG 82 29.722 -11.982 4.149 579 H ALA 83 HN ALA 83 34.881 -6.267 -1.429 580 HA ALA 83 HA ALA 83 33.156 -7.114 -3.614 581 HB1 ALA 83 HB1 ALA 83 35.212 -7.276 -4.916 582 HB2 ALA 83 HB2 ALA 83 36.164 -6.950 -3.468 583 HB3 ALA 83 HB3 ALA 83 35.094 -5.709 -4.118 584 H LYS 84 HN LYS 84 36.007 -8.509 -1.979 585 HA LYS 84 HA LYS 84 34.795 -11.162 -2.384 586 HB2 LYS 84 HB2 LYS 84 37.735 -10.475 -2.561 587 HB3 LYS 84 HB1 LYS 84 37.050 -12.084 -2.716 588 HG2 LYS 84 HG2 LYS 84 36.555 -9.772 -4.579 589 HG3 LYS 84 HG1 LYS 84 37.621 -11.143 -4.884 590 HD2 LYS 84 HD2 LYS 84 35.696 -12.658 -4.762 591 HD3 LYS 84 HD1 LYS 84 34.634 -11.280 -4.465 592 HE2 LYS 84 HE2 LYS 84 34.525 -11.924 -6.798 593 HE3 LYS 84 HE1 LYS 84 35.276 -10.339 -6.642 594 HZ1 LYS 84 HZ1 LYS 84 36.470 -11.708 -8.219 595 HZ2 LYS 84 HZ2 LYS 84 36.712 -12.905 -7.050 596 HZ3 LYS 84 HZ3 LYS 84 37.445 -11.395 -6.875 597 H LEU 85 HN LEU 85 33.939 -10.863 -0.242 598 HA LEU 85 HA LEU 85 35.859 -11.655 1.812 599 HB2 LEU 85 HB2 LEU 85 33.894 -9.384 2.100 600 HB3 LEU 85 HB1 LEU 85 34.726 -10.128 3.448 601 HG LEU 85 HG LEU 85 36.105 -8.700 1.171 602 HD11 LEU 85 HD11 LEU 85 35.469 -7.778 3.969 603 HD12 LEU 85 HD12 LEU 85 34.816 -7.119 2.469 604 HD13 LEU 85 HD13 LEU 85 36.529 -6.937 2.839 605 HD21 LEU 85 HD21 LEU 85 38.058 -8.787 2.665 606 HD22 LEU 85 HD22 LEU 85 37.503 -10.393 2.195 607 HD23 LEU 85 HD23 LEU 85 37.127 -9.765 3.800 Start of MODEL 4 1 H1 GLY 11 HT1 GLY 11 -29.262 2.461 10.888 2 H2 GLY 11 HT2 GLY 11 -27.691 1.938 11.223 3 H3 GLY 11 HT3 GLY 11 -29.002 0.906 11.492 4 HA2 GLY 11 HA1 GLY 11 -27.804 0.302 9.482 5 HA3 GLY 11 HA2 GLY 11 -29.462 0.777 9.153 6 H ARG 12 HN ARG 12 -26.491 1.025 7.936 7 HA ARG 12 HA ARG 12 -27.126 3.410 6.458 8 HB2 ARG 12 HB2 ARG 12 -25.340 4.773 7.112 9 HB3 ARG 12 HB1 ARG 12 -25.936 4.126 8.628 10 HG2 ARG 12 HG2 ARG 12 -23.520 3.137 7.128 11 HG3 ARG 12 HG1 ARG 12 -23.498 4.184 8.542 12 HD2 ARG 12 HD2 ARG 12 -24.524 2.404 9.872 13 HD3 ARG 12 HD1 ARG 12 -24.562 1.364 8.448 14 HE ARG 12 HE ARG 12 -21.933 2.285 8.929 15 HH11 ARG 12 HH11 ARG 12 -24.304 0.005 10.136 16 HH12 ARG 12 HH12 ARG 12 -23.110 -1.071 10.793 17 HH21 ARG 12 HH21 ARG 12 -20.372 0.866 9.774 18 HH22 ARG 12 HH22 ARG 12 -20.876 -0.578 10.593 19 HA PRO 13 HA PRO 13 -24.939 1.063 3.412 20 HB2 PRO 13 HB2 PRO 13 -24.389 3.490 1.897 21 HB3 PRO 13 HB1 PRO 13 -25.525 2.189 1.533 22 HG2 PRO 13 HG2 PRO 13 -26.339 4.671 2.241 23 HG3 PRO 13 HG1 PRO 13 -27.259 3.209 2.642 24 HD2 PRO 13 HD2 PRO 13 -25.399 4.805 4.373 25 HD3 PRO 13 HD1 PRO 13 -26.994 4.127 4.760 26 H GLY 14 HN GLY 14 -23.451 3.140 5.450 27 HA2 GLY 14 HA2 GLY 14 -20.908 3.471 4.204 28 HA3 GLY 14 HA1 GLY 14 -21.279 3.741 5.898 29 H VAL 15 HN VAL 15 -22.318 0.701 5.154 30 HA VAL 15 HA VAL 15 -20.215 -0.677 6.452 31 HB VAL 15 HB VAL 15 -21.333 -2.730 5.660 32 HG11 VAL 15 HG11 VAL 15 -22.167 -1.628 7.660 33 HG12 VAL 15 HG12 VAL 15 -23.502 -2.342 6.753 34 HG13 VAL 15 HG13 VAL 15 -23.214 -0.602 6.678 35 HG21 VAL 15 HG21 VAL 15 -21.960 -1.974 3.427 36 HG22 VAL 15 HG22 VAL 15 -23.104 -0.827 4.124 37 HG23 VAL 15 HG23 VAL 15 -23.374 -2.562 4.303 38 H PHE 16 HN PHE 16 -20.738 0.371 3.247 39 HA PHE 16 HA PHE 16 -18.159 -0.777 2.452 40 HB2 PHE 16 HB2 PHE 16 -20.137 -1.933 1.335 41 HB3 PHE 16 HB1 PHE 16 -20.499 -0.394 0.564 42 HD1 PHE 16 HD1 PHE 16 -17.798 -2.915 0.938 43 HD2 PHE 16 HD2 PHE 16 -19.516 0.139 -1.468 44 HE1 PHE 16 HE1 PHE 16 -16.257 -3.495 -0.889 45 HE2 PHE 16 HE2 PHE 16 -17.977 -0.433 -3.302 46 HZ PHE 16 HZ PHE 16 -16.346 -2.252 -3.013 47 H ARG 17 HN ARG 17 -18.016 1.472 3.620 48 HA ARG 17 HA ARG 17 -18.716 3.723 1.946 49 HB2 ARG 17 HB2 ARG 17 -18.932 3.695 4.464 50 HB3 ARG 17 HB1 ARG 17 -17.180 3.723 4.546 51 HG2 ARG 17 HG2 ARG 17 -18.109 5.938 4.894 52 HG3 ARG 17 HG1 ARG 17 -17.146 5.882 3.418 53 HD2 ARG 17 HD2 ARG 17 -20.086 5.407 3.252 54 HD3 ARG 17 HD1 ARG 17 -19.497 7.054 3.459 55 HE ARG 17 HE ARG 17 -18.089 6.512 1.399 56 HH11 ARG 17 HH11 ARG 17 -21.310 5.250 1.970 57 HH12 ARG 17 HH12 ARG 17 -21.661 5.042 0.284 58 HH21 ARG 17 HH21 ARG 17 -18.546 6.237 -0.815 59 HH22 ARG 17 HH22 ARG 17 -20.091 5.611 -1.301 60 H THR 18 HN THR 18 -17.418 4.541 0.468 61 HA THR 18 HA THR 18 -14.870 3.537 -0.107 62 HB THR 18 HB THR 18 -14.727 5.689 -1.545 63 HG1 THR 18 HG1 THR 18 -16.571 6.877 -1.688 64 HG21 THR 18 HG21 THR 18 -16.974 3.712 -1.960 65 HG22 THR 18 HG22 THR 18 -15.293 3.486 -2.444 66 HG23 THR 18 HG23 THR 18 -16.266 4.747 -3.202 67 H ARG 19 HN ARG 19 -15.881 6.001 2.053 68 HA ARG 19 HA ARG 19 -14.791 7.310 3.542 69 HB2 ARG 19 HB2 ARG 19 -13.513 5.205 3.969 70 HB3 ARG 19 HB1 ARG 19 -12.325 5.732 2.788 71 HG2 ARG 19 HG2 ARG 19 -11.830 7.692 4.170 72 HG3 ARG 19 HG1 ARG 19 -13.004 7.134 5.364 73 HD2 ARG 19 HD2 ARG 19 -11.711 5.173 5.812 74 HD3 ARG 19 HD1 ARG 19 -10.613 5.531 4.475 75 HE ARG 19 HE ARG 19 -10.475 7.720 6.122 76 HH11 ARG 19 HH11 ARG 19 -9.995 4.288 6.571 77 HH12 ARG 19 HH12 ARG 19 -8.689 4.490 7.703 78 HH21 ARG 19 HH21 ARG 19 -8.793 7.994 7.626 79 HH22 ARG 19 HH22 ARG 19 -8.019 6.600 8.312 80 H GLY 20 HN GLY 20 -14.894 7.833 0.596 81 HA2 GLY 20 HA2 GLY 20 -14.352 9.703 -0.661 82 HA3 GLY 20 HA1 GLY 20 -13.188 10.165 0.574 83 H LEU 21 HN LEU 21 -13.115 6.962 -0.689 84 HA LEU 21 HA LEU 21 -10.464 7.070 -1.503 85 HB2 LEU 21 HB2 LEU 21 -12.496 5.124 -1.429 86 HB3 LEU 21 HB1 LEU 21 -11.904 5.151 -3.082 87 HG LEU 21 HG LEU 21 -9.589 4.939 -2.114 88 HD11 LEU 21 HD11 LEU 21 -10.304 5.676 0.144 89 HD12 LEU 21 HD12 LEU 21 -9.273 4.253 0.086 90 HD13 LEU 21 HD13 LEU 21 -11.008 4.071 0.357 91 HD21 LEU 21 HD21 LEU 21 -11.361 2.609 -1.484 92 HD22 LEU 21 HD22 LEU 21 -9.684 2.583 -2.018 93 HD23 LEU 21 HD23 LEU 21 -10.960 3.082 -3.130 94 H THR 22 HN THR 22 -9.498 7.941 -3.166 95 HA THR 22 HA THR 22 -11.050 9.095 -5.308 96 HB THR 22 HB THR 22 -8.780 9.791 -6.180 97 HG1 THR 22 HG1 THR 22 -7.957 8.620 -3.695 98 HG21 THR 22 HG21 THR 22 -8.429 11.460 -4.376 99 HG22 THR 22 HG22 THR 22 -9.552 10.554 -3.358 100 HG23 THR 22 HG23 THR 22 -10.123 11.308 -4.847 101 H ASP 23 HN ASP 23 -10.168 8.725 -7.628 102 HA ASP 23 HA ASP 23 -10.859 6.136 -8.325 103 HB2 ASP 23 HB2 ASP 23 -11.009 7.905 -9.948 104 HB3 ASP 23 HB1 ASP 23 -9.272 8.177 -9.890 105 H GLU 24 HN GLU 24 -7.643 7.499 -7.790 106 HA GLU 24 HA GLU 24 -6.226 5.278 -8.812 107 HB2 GLU 24 HB2 GLU 24 -4.263 6.267 -7.843 108 HB3 GLU 24 HB1 GLU 24 -5.270 7.549 -8.498 109 HG2 GLU 24 HG2 GLU 24 -6.078 8.058 -6.245 110 HG3 GLU 24 HG1 GLU 24 -5.033 6.792 -5.597 111 H GLU 25 HN GLU 25 -7.376 6.056 -5.551 112 HA GLU 25 HA GLU 25 -6.155 3.783 -4.312 113 HB2 GLU 25 HB2 GLU 25 -8.556 5.359 -3.379 114 HB3 GLU 25 HB1 GLU 25 -7.586 4.279 -2.406 115 HG2 GLU 25 HG2 GLU 25 -5.768 5.733 -2.386 116 HG3 GLU 25 HG1 GLU 25 -6.420 6.711 -3.703 117 H TYR 26 HN TYR 26 -9.380 4.561 -5.511 118 HA TYR 26 HA TYR 26 -10.599 2.127 -4.772 119 HB2 TYR 26 HB2 TYR 26 -11.811 4.242 -5.359 120 HB3 TYR 26 HB1 TYR 26 -11.397 3.950 -7.042 121 HD1 TYR 26 HD2 TYR 26 -13.321 2.641 -4.173 122 HD2 TYR 26 HD1 TYR 26 -12.603 2.382 -8.353 123 HE1 TYR 26 HE2 TYR 26 -15.305 1.219 -4.421 124 HE2 TYR 26 HE1 TYR 26 -14.569 0.962 -8.615 125 HH TYR 26 HH TYR 26 -15.945 -0.570 -7.209 126 H ASP 27 HN ASP 27 -8.816 3.158 -7.599 127 HA ASP 27 HA ASP 27 -9.407 0.925 -9.234 128 HB2 ASP 27 HB2 ASP 27 -8.361 3.119 -9.977 129 HB3 ASP 27 HB1 ASP 27 -6.857 2.558 -9.259 130 H GLU 28 HN GLU 28 -6.702 1.665 -7.045 131 HA GLU 28 HA GLU 28 -5.314 -0.742 -7.226 132 HB2 GLU 28 HB2 GLU 28 -4.561 1.305 -6.023 133 HB3 GLU 28 HB1 GLU 28 -5.751 0.972 -4.773 134 HG2 GLU 28 HG2 GLU 28 -3.729 0.199 -3.934 135 HG3 GLU 28 HG1 GLU 28 -4.590 -1.245 -4.449 136 H PHE 29 HN PHE 29 -7.978 0.255 -5.168 137 HA PHE 29 HA PHE 29 -8.409 -2.075 -3.719 138 HB2 PHE 29 HB2 PHE 29 -9.535 -0.060 -3.109 139 HB3 PHE 29 HB1 PHE 29 -10.283 0.082 -4.694 140 HD1 PHE 29 HD1 PHE 29 -10.079 -2.609 -2.123 141 HD2 PHE 29 HD2 PHE 29 -12.533 -0.193 -4.606 142 HE1 PHE 29 HE1 PHE 29 -12.062 -3.774 -1.281 143 HE2 PHE 29 HE2 PHE 29 -14.530 -1.357 -3.771 144 HZ PHE 29 HZ PHE 29 -14.284 -3.155 -2.109 145 H LYS 30 HN LYS 30 -9.745 -1.150 -6.907 146 HA LYS 30 HA LYS 30 -11.332 -3.444 -7.269 147 HB2 LYS 30 HB2 LYS 30 -9.952 -1.740 -9.359 148 HB3 LYS 30 HB1 LYS 30 -11.204 -2.925 -9.698 149 HG2 LYS 30 HG2 LYS 30 -12.712 -1.590 -8.190 150 HG3 LYS 30 HG1 LYS 30 -11.467 -0.349 -8.174 151 HD2 LYS 30 HD2 LYS 30 -12.723 -1.432 -10.691 152 HD3 LYS 30 HD1 LYS 30 -13.293 0.010 -9.852 153 HE2 LYS 30 HE2 LYS 30 -11.139 1.077 -10.175 154 HE3 LYS 30 HE1 LYS 30 -10.515 -0.377 -10.946 155 HZ1 LYS 30 HZ1 LYS 30 -11.154 1.265 -12.582 156 HZ2 LYS 30 HZ2 LYS 30 -12.727 1.316 -11.970 157 HZ3 LYS 30 HZ3 LYS 30 -12.156 -0.090 -12.708 158 H LYS 31 HN LYS 31 -8.010 -2.749 -8.279 159 HA LYS 31 HA LYS 31 -7.445 -5.180 -9.535 160 HB2 LYS 31 HB2 LYS 31 -5.631 -3.334 -7.987 161 HB3 LYS 31 HB1 LYS 31 -5.074 -4.650 -9.011 162 HG2 LYS 31 HG2 LYS 31 -5.646 -3.568 -10.952 163 HG3 LYS 31 HG1 LYS 31 -6.867 -2.569 -10.161 164 HD2 LYS 31 HD2 LYS 31 -4.874 -1.281 -10.805 165 HD3 LYS 31 HD1 LYS 31 -5.146 -1.278 -9.064 166 HE2 LYS 31 HE2 LYS 31 -3.527 -3.293 -9.050 167 HE3 LYS 31 HE1 LYS 31 -3.057 -2.716 -10.649 168 HZ1 LYS 31 HZ1 LYS 31 -2.810 -1.314 -8.052 169 HZ2 LYS 31 HZ2 LYS 31 -2.708 -0.492 -9.531 170 HZ3 LYS 31 HZ3 LYS 31 -1.588 -1.702 -9.160 171 H ARG 32 HN ARG 32 -7.061 -4.160 -6.188 172 HA ARG 32 HA ARG 32 -5.978 -6.562 -5.204 173 HB2 ARG 32 HB2 ARG 32 -7.392 -4.266 -3.912 174 HB3 ARG 32 HB1 ARG 32 -6.848 -5.638 -2.973 175 HG2 ARG 32 HG2 ARG 32 -4.561 -5.239 -3.742 176 HG3 ARG 32 HG1 ARG 32 -5.121 -3.838 -4.653 177 HD2 ARG 32 HD2 ARG 32 -5.887 -2.816 -2.545 178 HD3 ARG 32 HD1 ARG 32 -5.241 -4.203 -1.664 179 HE ARG 32 HE ARG 32 -3.149 -3.258 -3.173 180 HH11 ARG 32 HH11 ARG 32 -5.189 -2.033 -0.612 181 HH12 ARG 32 HH12 ARG 32 -4.046 -0.827 -0.098 182 HH21 ARG 32 HH21 ARG 32 -1.631 -1.709 -2.490 183 HH22 ARG 32 HH22 ARG 32 -2.021 -0.640 -1.172 184 H ARG 33 HN ARG 33 -9.305 -5.363 -5.377 185 HA ARG 33 HA ARG 33 -10.493 -7.551 -4.071 186 HB2 ARG 33 HB2 ARG 33 -11.704 -5.484 -4.367 187 HB3 ARG 33 HB1 ARG 33 -11.631 -5.640 -6.112 188 HG2 ARG 33 HG2 ARG 33 -13.225 -7.312 -6.158 189 HG3 ARG 33 HG1 ARG 33 -12.969 -7.749 -4.471 190 HD2 ARG 33 HD2 ARG 33 -14.054 -5.790 -3.707 191 HD3 ARG 33 HD1 ARG 33 -14.106 -5.094 -5.322 192 HE ARG 33 HE ARG 33 -15.620 -7.088 -5.826 193 HH11 ARG 33 HH11 ARG 33 -15.411 -5.596 -2.665 194 HH12 ARG 33 HH12 ARG 33 -17.062 -5.948 -2.255 195 HH21 ARG 33 HH21 ARG 33 -17.782 -7.581 -5.266 196 HH22 ARG 33 HH22 ARG 33 -18.402 -7.073 -3.724 197 H GLU 34 HN GLU 34 -9.721 -6.969 -7.453 198 HA GLU 34 HA GLU 34 -10.757 -9.355 -8.515 199 HB2 GLU 34 HB2 GLU 34 -10.017 -7.446 -9.877 200 HB3 GLU 34 HB1 GLU 34 -8.356 -7.737 -9.388 201 HG2 GLU 34 HG2 GLU 34 -8.424 -9.914 -10.514 202 HG3 GLU 34 HG1 GLU 34 -10.076 -9.577 -11.034 203 H SER 35 HN SER 35 -7.679 -8.592 -6.981 204 HA SER 35 HA SER 35 -6.441 -11.094 -7.475 205 HB2 SER 35 HB2 SER 35 -5.174 -9.042 -6.940 206 HB3 SER 35 HB1 SER 35 -5.854 -9.052 -5.315 207 HG SER 35 HG SER 35 -3.971 -10.791 -6.477 208 H ARG 36 HN ARG 36 -8.659 -9.949 -5.050 209 HA ARG 36 HA ARG 36 -8.325 -12.362 -3.446 210 HB2 ARG 36 HB2 ARG 36 -9.844 -9.817 -3.108 211 HB3 ARG 36 HB1 ARG 36 -10.379 -11.230 -2.226 212 HG2 ARG 36 HG2 ARG 36 -8.986 -10.414 -0.654 213 HG3 ARG 36 HG1 ARG 36 -7.767 -11.273 -1.600 214 HD2 ARG 36 HD2 ARG 36 -7.325 -9.188 -2.839 215 HD3 ARG 36 HD1 ARG 36 -8.500 -8.364 -1.828 216 HE ARG 36 HE ARG 36 -6.863 -9.293 0.032 217 HH11 ARG 36 HH11 ARG 36 -6.095 -7.802 -3.033 218 HH12 ARG 36 HH12 ARG 36 -4.642 -7.053 -2.454 219 HH21 ARG 36 HH21 ARG 36 -4.959 -8.285 0.803 220 HH22 ARG 36 HH22 ARG 36 -4.012 -7.304 -0.271 221 H GLY 37 HN GLY 37 -9.715 -11.828 -6.280 222 HA2 GLY 37 HA2 GLY 37 -11.228 -13.062 -7.495 223 HA3 GLY 37 HA1 GLY 37 -11.418 -14.103 -6.092 224 H GLY 38 HN GLY 38 -11.980 -10.675 -5.854 225 HA2 GLY 38 HA2 GLY 38 -14.030 -9.513 -6.024 226 HA3 GLY 38 HA1 GLY 38 -14.873 -11.043 -6.106 227 H LYS 39 HN LYS 39 -13.138 -11.919 -3.747 228 HA LYS 39 HA LYS 39 -15.022 -10.994 -1.755 229 HB2 LYS 39 HB2 LYS 39 -12.832 -13.061 -1.633 230 HB3 LYS 39 HB1 LYS 39 -13.888 -12.660 -0.283 231 HG2 LYS 39 HG2 LYS 39 -15.089 -14.377 -1.095 232 HG3 LYS 39 HG1 LYS 39 -15.735 -13.123 -2.152 233 HD2 LYS 39 HD2 LYS 39 -14.140 -13.735 -3.883 234 HD3 LYS 39 HD1 LYS 39 -13.455 -14.975 -2.830 235 HE2 LYS 39 HE2 LYS 39 -16.301 -14.893 -3.830 236 HE3 LYS 39 HE1 LYS 39 -15.021 -15.919 -4.475 237 HZ1 LYS 39 HZ1 LYS 39 -16.092 -16.017 -1.708 238 HZ2 LYS 39 HZ2 LYS 39 -14.850 -16.990 -2.311 239 HZ3 LYS 39 HZ3 LYS 39 -16.413 -17.133 -2.934 240 H TYR 40 HN TYR 40 -13.972 -8.808 -2.192 241 HA TYR 40 HA TYR 40 -12.086 -8.293 -0.023 242 HB2 TYR 40 HB2 TYR 40 -10.840 -8.549 -2.219 243 HB3 TYR 40 HB1 TYR 40 -11.689 -7.111 -2.762 244 HD1 TYR 40 HD1 TYR 40 -9.954 -8.037 0.409 245 HD2 TYR 40 HD2 TYR 40 -10.259 -5.302 -2.826 246 HE1 TYR 40 HE1 TYR 40 -8.193 -6.665 1.417 247 HE2 TYR 40 HE2 TYR 40 -8.489 -3.918 -1.828 248 HH TYR 40 HH TYR 40 -6.538 -5.006 0.748 249 H SER 41 HN SER 41 -13.493 -7.088 1.175 250 HA SER 41 HA SER 41 -15.179 -5.135 -0.121 251 HB2 SER 41 HB2 SER 41 -15.151 -4.778 2.670 252 HB3 SER 41 HB1 SER 41 -16.437 -5.436 1.674 253 HG SER 41 HG SER 41 -15.788 -7.447 2.115 254 H ILE 42 HN ILE 42 -15.207 -2.875 0.998 255 HA ILE 42 HA ILE 42 -12.644 -1.784 0.408 256 HB ILE 42 HB ILE 42 -14.887 -0.638 0.064 257 HG12 ILE 42 HG12 ILE 42 -13.457 1.486 1.298 258 HG13 ILE 42 HG11 ILE 42 -12.279 0.325 0.698 259 HG21 ILE 42 HG21 ILE 42 -15.674 0.771 1.895 260 HG22 ILE 42 HG22 ILE 42 -14.454 0.067 2.962 261 HG23 ILE 42 HG23 ILE 42 -15.762 -0.936 2.325 262 HD11 ILE 42 HD11 ILE 42 -14.479 1.341 -1.039 263 HD12 ILE 42 HD12 ILE 42 -12.944 0.590 -1.496 264 HD13 ILE 42 HD13 ILE 42 -12.968 2.219 -0.824 265 H ASP 43 HN ASP 43 -14.325 -2.660 3.351 266 HA ASP 43 HA ASP 43 -12.761 -1.215 5.167 267 HB2 ASP 43 HB2 ASP 43 -14.257 -3.797 5.408 268 HB3 ASP 43 HB1 ASP 43 -13.332 -3.166 6.759 269 H ASP 44 HN ASP 44 -12.195 -4.347 3.643 270 HA ASP 44 HA ASP 44 -9.865 -4.943 5.157 271 HB2 ASP 44 HB2 ASP 44 -11.309 -6.510 3.630 272 HB3 ASP 44 HB1 ASP 44 -10.239 -5.954 2.352 273 H TYR 45 HN TYR 45 -10.489 -3.274 2.126 274 HA TYR 45 HA TYR 45 -7.790 -2.704 1.488 275 HB2 TYR 45 HB2 TYR 45 -9.493 -2.437 -0.225 276 HB3 TYR 45 HB1 TYR 45 -10.344 -1.231 0.739 277 HD1 TYR 45 HD2 TYR 45 -7.343 -1.899 -1.281 278 HD2 TYR 45 HD1 TYR 45 -9.583 1.061 0.808 279 HE1 TYR 45 HE2 TYR 45 -5.957 -0.147 -2.302 280 HE2 TYR 45 HE1 TYR 45 -8.166 2.836 -0.201 281 HH TYR 45 HH TYR 45 -5.898 3.030 -1.196 282 H LEU 46 HN LEU 46 -10.267 -1.016 3.300 283 HA LEU 46 HA LEU 46 -8.870 1.361 3.788 284 HB2 LEU 46 HB2 LEU 46 -11.126 0.020 5.263 285 HB3 LEU 46 HB1 LEU 46 -10.554 1.623 5.647 286 HG LEU 46 HG LEU 46 -11.731 0.805 2.991 287 HD11 LEU 46 HD11 LEU 46 -13.384 0.829 4.793 288 HD12 LEU 46 HD12 LEU 46 -13.640 2.148 3.652 289 HD13 LEU 46 HD13 LEU 46 -12.896 2.469 5.217 290 HD21 LEU 46 HD21 LEU 46 -10.130 2.583 2.713 291 HD22 LEU 46 HD22 LEU 46 -10.840 3.477 4.057 292 HD23 LEU 46 HD23 LEU 46 -11.762 3.240 2.574 293 H ALA 47 HN ALA 47 -8.953 -1.709 5.500 294 HA ALA 47 HA ALA 47 -7.521 -0.853 7.797 295 HB1 ALA 47 HB1 ALA 47 -7.718 -3.615 6.593 296 HB2 ALA 47 HB2 ALA 47 -8.840 -2.918 7.761 297 HB3 ALA 47 HB3 ALA 47 -7.169 -3.232 8.225 298 H ASP 48 HN ASP 48 -6.499 -2.289 4.719 299 HA ASP 48 HA ASP 48 -3.709 -2.228 5.372 300 HB2 ASP 48 HB2 ASP 48 -4.779 -3.659 3.568 301 HB3 ASP 48 HB1 ASP 48 -4.941 -2.198 2.604 302 H ARG 49 HN ARG 49 -5.981 -0.080 3.765 303 HA ARG 49 HA ARG 49 -4.272 1.934 2.886 304 HB2 ARG 49 HB2 ARG 49 -6.691 1.770 2.367 305 HB3 ARG 49 HB1 ARG 49 -7.053 2.256 4.016 306 HG2 ARG 49 HG2 ARG 49 -6.023 4.404 3.645 307 HG3 ARG 49 HG1 ARG 49 -5.556 3.925 2.014 308 HD2 ARG 49 HD2 ARG 49 -7.932 3.628 1.469 309 HD3 ARG 49 HD1 ARG 49 -8.362 4.233 3.059 310 HE ARG 49 HE ARG 49 -7.426 5.770 0.785 311 HH11 ARG 49 HH11 ARG 49 -7.804 5.786 4.281 312 HH12 ARG 49 HH12 ARG 49 -7.958 7.511 4.368 313 HH21 ARG 49 HH21 ARG 49 -7.639 8.002 0.907 314 HH22 ARG 49 HH22 ARG 49 -7.881 8.776 2.445 315 H GLU 50 HN GLU 50 -5.795 1.448 6.049 316 HA GLU 50 HA GLU 50 -4.913 3.647 7.465 317 HB2 GLU 50 HB2 GLU 50 -5.189 0.758 8.312 318 HB3 GLU 50 HB1 GLU 50 -4.830 2.057 9.445 319 HG2 GLU 50 HG2 GLU 50 -7.264 1.998 7.686 320 HG3 GLU 50 HG1 GLU 50 -7.220 1.351 9.323 321 H ARG 51 HN ARG 51 -3.152 0.817 6.442 322 HA ARG 51 HA ARG 51 -0.758 1.553 7.892 323 HB2 ARG 51 HB2 ARG 51 -1.339 -0.703 6.000 324 HB3 ARG 51 HB1 ARG 51 0.184 -0.473 6.859 325 HG2 ARG 51 HG2 ARG 51 -1.431 -0.374 8.946 326 HG3 ARG 51 HG1 ARG 51 -2.455 -1.330 7.872 327 HD2 ARG 51 HD2 ARG 51 -0.619 -2.887 7.519 328 HD3 ARG 51 HD1 ARG 51 0.386 -1.928 8.609 329 HE ARG 51 HE ARG 51 -2.049 -3.381 9.442 330 HH11 ARG 51 HH11 ARG 51 1.167 -2.160 10.132 331 HH12 ARG 51 HH12 ARG 51 1.242 -2.905 11.694 332 HH21 ARG 51 HH21 ARG 51 -1.932 -4.365 11.491 333 HH22 ARG 51 HH22 ARG 51 -0.507 -4.168 12.460 334 H GLU 52 HN GLU 52 -2.057 1.681 4.671 335 HA GLU 52 HA GLU 52 0.323 1.967 3.242 336 HB2 GLU 52 HB2 GLU 52 -2.436 2.946 2.555 337 HB3 GLU 52 HB1 GLU 52 -1.076 2.917 1.439 338 HG2 GLU 52 HG2 GLU 52 -0.921 0.445 1.918 339 HG3 GLU 52 HG1 GLU 52 -2.483 0.599 2.701 340 H GLU 53 HN GLU 53 -1.571 4.318 4.995 341 HA GLU 53 HA GLU 53 -0.647 6.649 3.781 342 HB2 GLU 53 HB2 GLU 53 -1.455 6.180 6.650 343 HB3 GLU 53 HB1 GLU 53 -1.214 7.768 5.933 344 HG2 GLU 53 HG2 GLU 53 -2.991 7.281 4.306 345 HG3 GLU 53 HG1 GLU 53 -3.255 5.724 5.091 346 H GLU 54 HN GLU 54 0.833 4.702 6.338 347 HA GLU 54 HA GLU 54 3.063 6.546 6.553 348 HB2 GLU 54 HB2 GLU 54 3.924 5.041 8.260 349 HB3 GLU 54 HB1 GLU 54 2.229 5.389 8.570 350 HG2 GLU 54 HG2 GLU 54 1.621 3.233 7.562 351 HG3 GLU 54 HG1 GLU 54 3.331 2.885 7.316 352 H LEU 55 HN LEU 55 2.160 3.879 4.702 353 HA LEU 55 HA LEU 55 4.884 3.025 4.127 354 HB2 LEU 55 HB2 LEU 55 2.249 2.017 3.052 355 HB3 LEU 55 HB1 LEU 55 3.815 1.300 2.733 356 HG LEU 55 HG LEU 55 2.543 1.490 5.466 357 HD11 LEU 55 HD11 LEU 55 2.174 -0.915 5.256 358 HD12 LEU 55 HD12 LEU 55 2.782 -0.866 3.600 359 HD13 LEU 55 HD13 LEU 55 1.293 -0.020 4.019 360 HD21 LEU 55 HD21 LEU 55 4.970 1.458 5.556 361 HD22 LEU 55 HD22 LEU 55 5.007 0.043 4.504 362 HD23 LEU 55 HD23 LEU 55 4.311 -0.077 6.120 363 H LEU 56 HN LEU 56 2.971 5.476 3.125 364 HA LEU 56 HA LEU 56 3.689 5.404 0.315 365 HB2 LEU 56 HB2 LEU 56 2.381 7.555 1.987 366 HB3 LEU 56 HB1 LEU 56 2.659 7.678 0.262 367 HG LEU 56 HG LEU 56 0.867 5.654 1.608 368 HD11 LEU 56 HD11 LEU 56 -0.023 7.927 1.693 369 HD12 LEU 56 HD12 LEU 56 -0.955 6.908 0.595 370 HD13 LEU 56 HD13 LEU 56 0.195 8.079 -0.050 371 HD21 LEU 56 HD21 LEU 56 1.841 4.744 -0.413 372 HD22 LEU 56 HD22 LEU 56 1.399 6.196 -1.311 373 HD23 LEU 56 HD23 LEU 56 0.143 5.128 -0.684 374 H GLU 57 HN GLU 57 5.285 6.028 3.097 375 HA GLU 57 HA GLU 57 7.243 7.719 1.731 376 HB2 GLU 57 HB2 GLU 57 6.118 8.166 4.492 377 HB3 GLU 57 HB1 GLU 57 7.622 8.887 3.939 378 HG2 GLU 57 HG2 GLU 57 6.426 10.075 2.191 379 HG3 GLU 57 HG1 GLU 57 4.916 9.304 2.682 380 H ARG 58 HN ARG 58 8.529 5.789 1.484 381 HA ARG 58 HA ARG 58 9.744 5.051 4.062 382 HB2 ARG 58 HB2 ARG 58 8.354 3.236 2.983 383 HB3 ARG 58 HB1 ARG 58 9.531 3.210 1.678 384 HG2 ARG 58 HG2 ARG 58 9.991 1.432 3.230 385 HG3 ARG 58 HG1 ARG 58 11.285 2.631 3.305 386 HD2 ARG 58 HD2 ARG 58 10.354 3.575 5.320 387 HD3 ARG 58 HD1 ARG 58 8.956 2.506 5.214 388 HE ARG 58 HE ARG 58 11.289 0.948 5.293 389 HH11 ARG 58 HH11 ARG 58 9.414 3.065 7.352 390 HH12 ARG 58 HH12 ARG 58 9.859 2.249 8.816 391 HH21 ARG 58 HH21 ARG 58 11.884 -0.131 7.210 392 HH22 ARG 58 HH22 ARG 58 11.275 0.427 8.735 393 H ASP 59 HN ASP 59 10.385 4.936 0.553 394 HA ASP 59 HA ASP 59 12.809 6.293 0.517 395 HB2 ASP 59 HB2 ASP 59 13.551 4.487 2.084 396 HB3 ASP 59 HB1 ASP 59 13.226 3.307 0.820 397 H GLU 60 HN GLU 60 10.964 3.568 -0.657 398 HA GLU 60 HA GLU 60 12.390 3.481 -3.187 399 HB2 GLU 60 HB2 GLU 60 10.997 1.458 -3.577 400 HB3 GLU 60 HB1 GLU 60 11.942 1.381 -2.095 401 HG2 GLU 60 HG2 GLU 60 9.907 2.125 -0.850 402 HG3 GLU 60 HG1 GLU 60 9.001 1.954 -2.351 403 H GLU 61 HN GLU 61 9.428 4.759 -1.956 404 HA GLU 61 HA GLU 61 8.101 4.493 -4.531 405 HB2 GLU 61 HB2 GLU 61 6.082 5.319 -3.317 406 HB3 GLU 61 HB1 GLU 61 6.752 3.822 -2.696 407 HG2 GLU 61 HG2 GLU 61 7.340 6.494 -1.482 408 HG3 GLU 61 HG1 GLU 61 5.976 5.491 -0.990 409 H GLU 62 HN GLU 62 9.600 6.953 -2.612 410 HA GLU 62 HA GLU 62 9.364 8.861 -4.726 411 HB2 GLU 62 HB2 GLU 62 7.465 8.970 -2.480 412 HB3 GLU 62 HB1 GLU 62 8.296 10.483 -2.800 413 HG2 GLU 62 HG2 GLU 62 7.557 10.364 -5.146 414 HG3 GLU 62 HG1 GLU 62 6.672 8.888 -4.767 415 H ALA 63 HN ALA 63 9.854 11.201 -3.383 416 HA ALA 63 HA ALA 63 12.603 10.804 -2.631 417 HB1 ALA 63 HB1 ALA 63 11.981 12.665 -4.070 418 HB2 ALA 63 HB2 ALA 63 12.719 13.244 -2.578 419 HB3 ALA 63 HB3 ALA 63 10.971 13.331 -2.788 420 H ILE 64 HN ILE 64 11.732 9.491 -0.699 421 HA ILE 64 HA ILE 64 11.205 11.227 1.596 422 HB ILE 64 HB ILE 64 11.385 8.212 1.479 423 HG12 ILE 64 HG12 ILE 64 8.821 8.684 2.050 424 HG13 ILE 64 HG11 ILE 64 9.152 10.146 1.136 425 HG21 ILE 64 HG21 ILE 64 10.354 8.262 3.697 426 HG22 ILE 64 HG22 ILE 64 10.437 10.023 3.693 427 HG23 ILE 64 HG23 ILE 64 11.921 9.071 3.688 428 HD11 ILE 64 HD11 ILE 64 9.893 8.785 -0.758 429 HD12 ILE 64 HD12 ILE 64 8.226 8.437 -0.294 430 HD13 ILE 64 HD13 ILE 64 9.517 7.326 0.161 431 H PHE 65 HN PHE 65 13.719 9.654 -0.027 432 HA PHE 65 HA PHE 65 15.484 9.615 2.288 433 HB2 PHE 65 HB2 PHE 65 17.054 8.431 0.780 434 HB3 PHE 65 HB1 PHE 65 15.494 7.624 0.901 435 HD1 PHE 65 HD2 PHE 65 13.815 7.988 -0.964 436 HD2 PHE 65 HD1 PHE 65 17.922 9.048 -1.300 437 HE1 PHE 65 HE2 PHE 65 13.603 8.007 -3.413 438 HE2 PHE 65 HE1 PHE 65 17.718 9.069 -3.753 439 HZ PHE 65 HZ PHE 65 15.557 8.545 -4.812 440 H GLY 66 HN GLY 66 14.495 11.965 0.411 441 HA2 GLY 66 HA2 GLY 66 16.615 13.695 0.835 442 HA3 GLY 66 HA1 GLY 66 16.854 13.012 -0.767 443 H ASP 67 HN ASP 67 16.549 14.984 -1.790 444 HA ASP 67 HA ASP 67 13.922 16.254 -1.470 445 HB2 ASP 67 HB2 ASP 67 14.884 18.221 -2.509 446 HB3 ASP 67 HB1 ASP 67 15.925 17.693 -1.194 447 H GLY 68 HN GLY 68 15.396 14.026 -3.397 448 HA2 GLY 68 HA2 GLY 68 13.280 14.238 -5.348 449 HA3 GLY 68 HA1 GLY 68 14.882 14.542 -6.003 450 H PHE 69 HN PHE 69 13.362 12.451 -6.944 451 HA PHE 69 HA PHE 69 14.963 10.176 -6.000 452 HB2 PHE 69 HB2 PHE 69 13.054 8.661 -6.375 453 HB3 PHE 69 HB1 PHE 69 12.694 9.854 -5.136 454 HD1 PHE 69 HD2 PHE 69 11.153 11.733 -5.653 455 HD2 PHE 69 HD1 PHE 69 11.775 8.515 -8.375 456 HE1 PHE 69 HE2 PHE 69 9.084 12.337 -6.836 457 HE2 PHE 69 HE1 PHE 69 9.705 9.115 -9.556 458 HZ PHE 69 HZ PHE 69 8.356 11.027 -8.789 459 H GLY 70 HN GLY 70 15.485 11.999 -8.113 460 HA2 GLY 70 HA2 GLY 70 14.523 11.170 -10.625 461 HA3 GLY 70 HA1 GLY 70 15.960 12.135 -10.347 462 H LEU 71 HN LEU 71 16.961 9.791 -8.620 463 HA LEU 71 HA LEU 71 18.288 8.450 -10.810 464 HB2 LEU 71 HB2 LEU 71 19.536 7.287 -8.934 465 HB3 LEU 71 HB1 LEU 71 19.760 9.016 -9.090 466 HG LEU 71 HG LEU 71 18.044 9.278 -7.230 467 HD11 LEU 71 HD11 LEU 71 17.048 7.061 -7.329 468 HD12 LEU 71 HD12 LEU 71 17.737 7.370 -5.737 469 HD13 LEU 71 HD13 LEU 71 18.591 6.335 -6.883 470 HD21 LEU 71 HD21 LEU 71 19.690 8.863 -5.493 471 HD22 LEU 71 HD22 LEU 71 20.451 9.571 -6.917 472 HD23 LEU 71 HD23 LEU 71 20.617 7.847 -6.595 473 H LYS 72 HN LYS 72 15.392 7.974 -9.428 474 HA LYS 72 HA LYS 72 15.428 5.122 -10.088 475 HB2 LYS 72 HB2 LYS 72 15.662 5.320 -7.623 476 HB3 LYS 72 HB1 LYS 72 14.176 6.256 -7.577 477 HG2 LYS 72 HG2 LYS 72 12.938 4.322 -8.435 478 HG3 LYS 72 HG1 LYS 72 14.432 3.383 -8.439 479 HD2 LYS 72 HD2 LYS 72 14.629 3.629 -6.035 480 HD3 LYS 72 HD1 LYS 72 13.200 4.663 -6.001 481 HE2 LYS 72 HE2 LYS 72 12.629 2.412 -5.295 482 HE3 LYS 72 HE1 LYS 72 11.839 2.798 -6.822 483 HZ1 LYS 72 HZ1 LYS 72 12.775 0.564 -6.801 484 HZ2 LYS 72 HZ2 LYS 72 14.320 1.192 -6.543 485 HZ3 LYS 72 HZ3 LYS 72 13.505 1.521 -7.988 486 H ALA 73 HN ALA 73 13.404 4.319 -10.791 487 HA ALA 73 HA ALA 73 11.277 6.328 -11.067 488 HB1 ALA 73 HB1 ALA 73 10.693 5.385 -13.239 489 HB2 ALA 73 HB2 ALA 73 12.034 4.246 -13.117 490 HB3 ALA 73 HB3 ALA 73 12.354 5.977 -13.239 491 H THR 74 HN THR 74 10.005 5.640 -9.434 492 HA THR 74 HA THR 74 9.622 2.967 -8.674 493 HB THR 74 HB THR 74 7.668 5.220 -8.211 494 HG1 THR 74 HG1 THR 74 9.672 4.670 -6.336 495 HG21 THR 74 HG21 THR 74 7.141 4.032 -6.174 496 HG22 THR 74 HG22 THR 74 8.414 2.853 -6.487 497 HG23 THR 74 HG23 THR 74 6.996 2.919 -7.533 498 H ARG 75 HN ARG 75 8.711 1.443 -9.883 499 HA ARG 75 HA ARG 75 6.797 2.195 -11.942 500 HB2 ARG 75 HB2 ARG 75 8.100 -0.473 -11.384 501 HB3 ARG 75 HB1 ARG 75 7.088 -0.100 -12.770 502 HG2 ARG 75 HG2 ARG 75 8.798 1.717 -13.310 503 HG3 ARG 75 HG1 ARG 75 9.841 0.902 -12.141 504 HD2 ARG 75 HD2 ARG 75 10.325 0.105 -14.378 505 HD3 ARG 75 HD1 ARG 75 9.600 -1.189 -13.422 506 HE ARG 75 HE ARG 75 7.559 0.154 -14.785 507 HH11 ARG 75 HH11 ARG 75 10.299 -1.906 -15.510 508 HH12 ARG 75 HH12 ARG 75 9.581 -2.559 -16.947 509 HH21 ARG 75 HH21 ARG 75 6.615 -0.693 -16.672 510 HH22 ARG 75 HH22 ARG 75 7.478 -1.868 -17.611 511 H ARG 76 HN ARG 76 5.342 2.711 -10.006 512 HA ARG 76 HA ARG 76 3.934 0.298 -9.100 513 HB2 ARG 76 HB2 ARG 76 2.861 1.876 -7.433 514 HB3 ARG 76 HB1 ARG 76 4.575 1.571 -7.221 515 HG2 ARG 76 HG2 ARG 76 4.320 3.859 -6.847 516 HG3 ARG 76 HG1 ARG 76 4.962 3.746 -8.483 517 HD2 ARG 76 HD2 ARG 76 3.190 5.401 -8.373 518 HD3 ARG 76 HD1 ARG 76 2.701 4.041 -9.383 519 HE ARG 76 HE ARG 76 1.691 3.379 -6.967 520 HH11 ARG 76 HH11 ARG 76 1.486 6.279 -8.915 521 HH12 ARG 76 HH12 ARG 76 -0.078 6.725 -8.314 522 HH21 ARG 76 HH21 ARG 76 -0.374 3.963 -6.172 523 HH22 ARG 76 HH22 ARG 76 -1.136 5.407 -6.753 524 H SER 77 HN SER 77 3.739 2.469 -11.509 525 HA SER 77 HA SER 77 0.803 2.296 -11.608 526 HB2 SER 77 HB2 SER 77 0.956 4.480 -12.934 527 HB3 SER 77 HB1 SER 77 1.271 4.591 -11.202 528 HG SER 77 HG SER 77 2.990 5.604 -11.951 529 H ARG 78 HN ARG 78 2.579 0.389 -12.627 530 HA ARG 78 HA ARG 78 3.568 0.734 -15.188 531 HB2 ARG 78 HB2 ARG 78 2.468 -1.822 -14.016 532 HB3 ARG 78 HB1 ARG 78 3.614 -1.695 -15.345 533 HG2 ARG 78 HG2 ARG 78 5.249 -0.688 -13.827 534 HG3 ARG 78 HG1 ARG 78 4.102 -0.844 -12.498 535 HD2 ARG 78 HD2 ARG 78 4.105 -3.275 -12.795 536 HD3 ARG 78 HD1 ARG 78 5.255 -3.109 -14.119 537 HE ARG 78 HE ARG 78 6.062 -2.005 -11.549 538 HH11 ARG 78 HH11 ARG 78 6.175 -4.707 -13.763 539 HH12 ARG 78 HH12 ARG 78 7.643 -5.355 -13.106 540 HH21 ARG 78 HH21 ARG 78 8.009 -2.865 -10.666 541 HH22 ARG 78 HH22 ARG 78 8.682 -4.312 -11.348 542 H LYS 79 HN LYS 79 0.362 -0.337 -14.185 543 HA LYS 79 HA LYS 79 -0.529 0.041 -16.963 544 HB2 LYS 79 HB2 LYS 79 -2.286 -1.662 -16.518 545 HB3 LYS 79 HB1 LYS 79 -0.654 -2.313 -16.459 546 HG2 LYS 79 HG2 LYS 79 -0.706 -2.265 -14.027 547 HG3 LYS 79 HG1 LYS 79 -2.326 -1.568 -14.068 548 HD2 LYS 79 HD2 LYS 79 -2.464 -3.949 -13.642 549 HD3 LYS 79 HD1 LYS 79 -3.140 -3.583 -15.229 550 HE2 LYS 79 HE2 LYS 79 -1.083 -4.309 -16.297 551 HE3 LYS 79 HE1 LYS 79 -0.347 -4.607 -14.723 552 HZ1 LYS 79 HZ1 LYS 79 -1.174 -6.638 -15.776 553 HZ2 LYS 79 HZ2 LYS 79 -2.743 -6.013 -15.772 554 HZ3 LYS 79 HZ3 LYS 79 -1.958 -6.331 -14.310 555 H ALA 80 HN ALA 80 -0.366 1.933 -14.752 556 HA ALA 80 HA ALA 80 -3.221 2.469 -14.278 557 HB1 ALA 80 HB1 ALA 80 -0.849 3.586 -12.792 558 HB2 ALA 80 HB2 ALA 80 -1.839 2.234 -12.251 559 HB3 ALA 80 HB3 ALA 80 -2.549 3.840 -12.402 560 H GLU 81 HN GLU 81 -0.208 4.334 -14.690 561 HA GLU 81 HA GLU 81 -1.508 5.997 -16.690 562 HB2 GLU 81 HB2 GLU 81 -0.888 8.081 -15.512 563 HB3 GLU 81 HB1 GLU 81 -2.108 7.150 -14.649 564 HG2 GLU 81 HG2 GLU 81 -0.327 6.258 -13.188 565 HG3 GLU 81 HG1 GLU 81 0.833 7.293 -14.021 566 H ARG 82 HN ARG 82 0.866 4.119 -16.308 567 HA ARG 82 HA ARG 82 2.946 6.010 -17.164 568 HB2 ARG 82 HB2 ARG 82 3.335 4.704 -15.009 569 HB3 ARG 82 HB1 ARG 82 3.448 3.265 -16.009 570 HG2 ARG 82 HG2 ARG 82 5.654 4.105 -15.472 571 HG3 ARG 82 HG1 ARG 82 5.347 4.250 -17.203 572 HD2 ARG 82 HD2 ARG 82 6.440 6.249 -16.266 573 HD3 ARG 82 HD1 ARG 82 4.858 6.602 -16.959 574 HE ARG 82 HE ARG 82 5.167 6.194 -14.061 575 HH11 ARG 82 HH11 ARG 82 4.295 8.242 -16.763 576 HH12 ARG 82 HH12 ARG 82 3.505 9.426 -15.774 577 HH21 ARG 82 HH21 ARG 82 4.159 7.773 -12.754 578 HH22 ARG 82 HH22 ARG 82 3.438 9.169 -13.492 579 H ALA 83 HN ALA 83 1.206 5.326 -19.044 580 HA ALA 83 HA ALA 83 1.764 2.891 -20.406 581 HB1 ALA 83 HB1 ALA 83 0.414 5.388 -21.424 582 HB2 ALA 83 HB2 ALA 83 -0.386 4.037 -20.620 583 HB3 ALA 83 HB3 ALA 83 0.376 3.801 -22.192 584 H LYS 84 HN LYS 84 3.040 6.134 -20.542 585 HA LYS 84 HA LYS 84 4.652 5.491 -22.884 586 HB2 LYS 84 HB2 LYS 84 4.398 8.036 -21.274 587 HB3 LYS 84 HB1 LYS 84 5.442 7.849 -22.676 588 HG2 LYS 84 HG2 LYS 84 2.447 7.556 -22.686 589 HG3 LYS 84 HG1 LYS 84 3.341 8.978 -23.223 590 HD2 LYS 84 HD2 LYS 84 4.460 7.593 -24.930 591 HD3 LYS 84 HD1 LYS 84 3.497 6.207 -24.414 592 HE2 LYS 84 HE2 LYS 84 1.452 7.392 -25.014 593 HE3 LYS 84 HE1 LYS 84 2.400 8.795 -25.504 594 HZ1 LYS 84 HZ1 LYS 84 3.441 7.439 -27.217 595 HZ2 LYS 84 HZ2 LYS 84 1.763 7.467 -27.407 596 HZ3 LYS 84 HZ3 LYS 84 2.515 6.103 -26.752 597 H LEU 85 HN LEU 85 5.891 3.852 -21.915 598 HA LEU 85 HA LEU 85 8.235 4.908 -20.563 599 HB2 LEU 85 HB2 LEU 85 6.773 4.130 -18.743 600 HB3 LEU 85 HB1 LEU 85 6.675 2.551 -19.497 601 HG LEU 85 HG LEU 85 9.108 2.256 -19.155 602 HD11 LEU 85 HD11 LEU 85 9.779 4.589 -19.165 603 HD12 LEU 85 HD12 LEU 85 10.298 3.801 -17.676 604 HD13 LEU 85 HD13 LEU 85 8.894 4.869 -17.667 605 HD21 LEU 85 HD21 LEU 85 7.559 2.934 -16.658 606 HD22 LEU 85 HD22 LEU 85 9.011 1.935 -16.737 607 HD23 LEU 85 HD23 LEU 85 7.523 1.392 -17.515 Start of MODEL 5 1 H1 GLY 11 HT1 GLY 11 -28.323 1.471 8.445 2 H2 GLY 11 HT2 GLY 11 -29.964 1.735 8.765 3 H3 GLY 11 HT3 GLY 11 -28.790 2.282 9.851 4 HA2 GLY 11 HA1 GLY 11 -29.166 3.264 7.083 5 HA3 GLY 11 HA2 GLY 11 -29.675 4.107 8.540 6 H ARG 12 HN ARG 12 -28.277 5.756 7.415 7 HA ARG 12 HA ARG 12 -26.486 7.114 7.576 8 HB2 ARG 12 HB2 ARG 12 -25.628 5.091 9.625 9 HB3 ARG 12 HB1 ARG 12 -24.607 6.450 9.181 10 HG2 ARG 12 HG2 ARG 12 -26.385 7.994 9.855 11 HG3 ARG 12 HG1 ARG 12 -27.384 6.619 10.329 12 HD2 ARG 12 HD2 ARG 12 -26.218 7.671 12.236 13 HD3 ARG 12 HD1 ARG 12 -25.785 5.976 12.011 14 HE ARG 12 HE ARG 12 -23.881 7.361 10.623 15 HH11 ARG 12 HH11 ARG 12 -25.037 7.421 13.922 16 HH12 ARG 12 HH12 ARG 12 -23.496 7.861 14.587 17 HH21 ARG 12 HH21 ARG 12 -21.857 7.938 11.488 18 HH22 ARG 12 HH22 ARG 12 -21.685 8.165 13.201 19 HA PRO 13 HA PRO 13 -23.749 5.418 4.561 20 HB2 PRO 13 HB2 PRO 13 -21.992 7.695 4.788 21 HB3 PRO 13 HB1 PRO 13 -23.185 7.349 3.534 22 HG2 PRO 13 HG2 PRO 13 -23.423 9.403 5.321 23 HG3 PRO 13 HG1 PRO 13 -24.806 8.603 4.554 24 HD2 PRO 13 HD2 PRO 13 -23.648 8.179 7.286 25 HD3 PRO 13 HD1 PRO 13 -25.349 8.286 6.783 26 H GLY 14 HN GLY 14 -23.239 4.231 6.968 27 HA2 GLY 14 HA2 GLY 14 -20.288 4.264 7.044 28 HA3 GLY 14 HA1 GLY 14 -21.263 4.017 8.484 29 H VAL 15 HN VAL 15 -22.715 2.608 5.852 30 HA VAL 15 HA VAL 15 -22.238 -0.023 6.888 31 HB VAL 15 HB VAL 15 -23.750 -0.765 5.043 32 HG11 VAL 15 HG11 VAL 15 -25.761 0.306 5.946 33 HG12 VAL 15 HG12 VAL 15 -24.757 1.533 6.719 34 HG13 VAL 15 HG13 VAL 15 -24.640 -0.152 7.230 35 HG21 VAL 15 HG21 VAL 15 -24.920 0.942 3.721 36 HG22 VAL 15 HG22 VAL 15 -23.187 0.937 3.384 37 HG23 VAL 15 HG23 VAL 15 -23.882 2.188 4.417 38 H PHE 16 HN PHE 16 -21.160 1.846 4.144 39 HA PHE 16 HA PHE 16 -19.514 -0.431 3.260 40 HB2 PHE 16 HB2 PHE 16 -21.144 0.418 1.576 41 HB3 PHE 16 HB1 PHE 16 -20.375 1.998 1.662 42 HD1 PHE 16 HD2 PHE 16 -20.009 -1.466 0.531 43 HD2 PHE 16 HD1 PHE 16 -18.266 2.414 0.590 44 HE1 PHE 16 HE2 PHE 16 -18.436 -2.152 -1.231 45 HE2 PHE 16 HE1 PHE 16 -16.690 1.735 -1.172 46 HZ PHE 16 HZ PHE 16 -16.772 -0.550 -2.085 47 H ARG 17 HN ARG 17 -19.438 3.124 3.105 48 HA ARG 17 HA ARG 17 -17.858 4.653 3.607 49 HB2 ARG 17 HB2 ARG 17 -16.664 2.390 5.195 50 HB3 ARG 17 HB1 ARG 17 -15.977 4.008 5.160 51 HG2 ARG 17 HG2 ARG 17 -18.759 3.327 6.082 52 HG3 ARG 17 HG1 ARG 17 -17.373 3.604 7.136 53 HD2 ARG 17 HD2 ARG 17 -18.579 5.597 5.221 54 HD3 ARG 17 HD1 ARG 17 -18.758 5.601 6.973 55 HE ARG 17 HE ARG 17 -16.101 5.710 6.712 56 HH11 ARG 17 HH11 ARG 17 -18.657 7.529 5.156 57 HH12 ARG 17 HH12 ARG 17 -17.696 8.958 4.960 58 HH21 ARG 17 HH21 ARG 17 -14.843 7.599 6.494 59 HH22 ARG 17 HH22 ARG 17 -15.516 8.998 5.721 60 H THR 18 HN THR 18 -17.212 4.959 1.530 61 HA THR 18 HA THR 18 -15.058 3.456 0.376 62 HB THR 18 HB THR 18 -15.485 6.169 -0.661 63 HG1 THR 18 HG1 THR 18 -17.593 6.112 -0.764 64 HG21 THR 18 HG21 THR 18 -14.306 4.381 -1.885 65 HG22 THR 18 HG22 THR 18 -15.708 4.974 -2.772 66 HG23 THR 18 HG23 THR 18 -15.794 3.437 -1.914 67 H ARG 19 HN ARG 19 -15.414 5.966 2.592 68 HA ARG 19 HA ARG 19 -14.033 7.233 3.829 69 HB2 ARG 19 HB2 ARG 19 -13.149 4.931 4.313 70 HB3 ARG 19 HB1 ARG 19 -11.889 5.234 3.125 71 HG2 ARG 19 HG2 ARG 19 -11.102 7.139 4.446 72 HG3 ARG 19 HG1 ARG 19 -12.360 6.828 5.641 73 HD2 ARG 19 HD2 ARG 19 -10.190 4.876 4.876 74 HD3 ARG 19 HD1 ARG 19 -10.132 5.945 6.278 75 HE ARG 19 HE ARG 19 -12.512 4.488 6.406 76 HH11 ARG 19 HH11 ARG 19 -9.057 3.938 6.636 77 HH12 ARG 19 HH12 ARG 19 -9.222 2.556 7.673 78 HH21 ARG 19 HH21 ARG 19 -12.728 2.677 7.768 79 HH22 ARG 19 HH22 ARG 19 -11.309 1.832 8.305 80 H GLY 20 HN GLY 20 -14.336 8.167 1.247 81 HA2 GLY 20 HA2 GLY 20 -13.471 9.844 -0.060 82 HA3 GLY 20 HA1 GLY 20 -12.181 9.999 1.121 83 H LEU 21 HN LEU 21 -12.833 7.003 -0.550 84 HA LEU 21 HA LEU 21 -10.205 6.797 -1.556 85 HB2 LEU 21 HB2 LEU 21 -12.558 5.173 -1.518 86 HB3 LEU 21 HB1 LEU 21 -11.935 5.203 -3.156 87 HG LEU 21 HG LEU 21 -9.692 4.564 -2.163 88 HD11 LEU 21 HD11 LEU 21 -11.428 4.184 0.237 89 HD12 LEU 21 HD12 LEU 21 -9.914 5.083 0.098 90 HD13 LEU 21 HD13 LEU 21 -9.910 3.323 0.016 91 HD21 LEU 21 HD21 LEU 21 -10.204 2.236 -2.157 92 HD22 LEU 21 HD22 LEU 21 -11.201 3.035 -3.374 93 HD23 LEU 21 HD23 LEU 21 -11.903 2.568 -1.830 94 H THR 22 HN THR 22 -9.326 7.868 -3.177 95 HA THR 22 HA THR 22 -10.935 9.187 -5.167 96 HB THR 22 HB THR 22 -8.699 9.790 -6.158 97 HG1 THR 22 HG1 THR 22 -7.270 9.160 -3.936 98 HG21 THR 22 HG21 THR 22 -8.082 11.333 -4.341 99 HG22 THR 22 HG22 THR 22 -9.119 10.430 -3.234 100 HG23 THR 22 HG23 THR 22 -9.827 11.292 -4.601 101 H ASP 23 HN ASP 23 -9.939 8.868 -7.557 102 HA ASP 23 HA ASP 23 -10.857 6.368 -8.395 103 HB2 ASP 23 HB2 ASP 23 -10.828 8.223 -9.936 104 HB3 ASP 23 HB1 ASP 23 -9.080 8.366 -9.811 105 H GLU 24 HN GLU 24 -7.572 7.470 -7.707 106 HA GLU 24 HA GLU 24 -6.297 5.161 -8.761 107 HB2 GLU 24 HB2 GLU 24 -5.280 7.156 -6.728 108 HB3 GLU 24 HB1 GLU 24 -4.294 5.968 -7.569 109 HG2 GLU 24 HG2 GLU 24 -4.991 7.043 -9.716 110 HG3 GLU 24 HG1 GLU 24 -5.744 8.315 -8.758 111 H GLU 25 HN GLU 25 -7.169 6.111 -5.433 112 HA GLU 25 HA GLU 25 -6.244 3.776 -4.155 113 HB2 GLU 25 HB2 GLU 25 -8.671 5.376 -3.350 114 HB3 GLU 25 HB1 GLU 25 -7.684 4.360 -2.320 115 HG2 GLU 25 HG2 GLU 25 -6.546 6.763 -3.689 116 HG3 GLU 25 HG1 GLU 25 -7.411 6.884 -2.158 117 H TYR 26 HN TYR 26 -9.365 4.612 -5.584 118 HA TYR 26 HA TYR 26 -10.640 2.188 -4.889 119 HB2 TYR 26 HB2 TYR 26 -11.825 4.313 -5.513 120 HB3 TYR 26 HB1 TYR 26 -11.350 4.022 -7.181 121 HD1 TYR 26 HD2 TYR 26 -13.322 2.626 -4.368 122 HD2 TYR 26 HD1 TYR 26 -12.559 2.538 -8.553 123 HE1 TYR 26 HE2 TYR 26 -15.278 1.196 -4.687 124 HE2 TYR 26 HE1 TYR 26 -14.504 1.101 -8.887 125 HH TYR 26 HH TYR 26 -16.853 0.579 -6.459 126 H ASP 27 HN ASP 27 -8.821 3.225 -7.719 127 HA ASP 27 HA ASP 27 -9.319 0.942 -9.296 128 HB2 ASP 27 HB2 ASP 27 -8.313 2.999 -10.223 129 HB3 ASP 27 HB1 ASP 27 -6.875 2.738 -9.248 130 H GLU 28 HN GLU 28 -6.786 1.721 -6.956 131 HA GLU 28 HA GLU 28 -5.332 -0.680 -7.172 132 HB2 GLU 28 HB2 GLU 28 -4.465 1.304 -6.018 133 HB3 GLU 28 HB1 GLU 28 -5.722 1.166 -4.803 134 HG2 GLU 28 HG2 GLU 28 -4.771 -0.696 -3.837 135 HG3 GLU 28 HG1 GLU 28 -3.806 -1.074 -5.260 136 H PHE 29 HN PHE 29 -7.992 0.321 -5.086 137 HA PHE 29 HA PHE 29 -8.408 -2.033 -3.674 138 HB2 PHE 29 HB2 PHE 29 -9.560 -0.006 -3.071 139 HB3 PHE 29 HB1 PHE 29 -10.344 0.083 -4.641 140 HD1 PHE 29 HD1 PHE 29 -10.005 -2.501 -1.980 141 HD2 PHE 29 HD2 PHE 29 -12.585 -0.312 -4.546 142 HE1 PHE 29 HE1 PHE 29 -11.929 -3.705 -1.056 143 HE2 PHE 29 HE2 PHE 29 -14.521 -1.523 -3.637 144 HZ PHE 29 HZ PHE 29 -14.190 -3.228 -1.888 145 H LYS 30 HN LYS 30 -9.715 -1.059 -6.851 146 HA LYS 30 HA LYS 30 -11.290 -3.335 -7.294 147 HB2 LYS 30 HB2 LYS 30 -9.820 -1.603 -9.302 148 HB3 LYS 30 HB1 LYS 30 -11.011 -2.817 -9.735 149 HG2 LYS 30 HG2 LYS 30 -12.673 -1.552 -8.363 150 HG3 LYS 30 HG1 LYS 30 -11.466 -0.286 -8.175 151 HD2 LYS 30 HD2 LYS 30 -12.412 -1.289 -10.855 152 HD3 LYS 30 HD1 LYS 30 -13.147 0.077 -10.018 153 HE2 LYS 30 HE2 LYS 30 -11.053 1.279 -10.063 154 HE3 LYS 30 HE1 LYS 30 -10.240 -0.108 -10.782 155 HZ1 LYS 30 HZ1 LYS 30 -10.785 1.586 -12.423 156 HZ2 LYS 30 HZ2 LYS 30 -12.427 1.442 -12.054 157 HZ3 LYS 30 HZ3 LYS 30 -11.600 0.142 -12.748 158 H LYS 31 HN LYS 31 -7.953 -2.668 -8.326 159 HA LYS 31 HA LYS 31 -7.362 -5.101 -9.518 160 HB2 LYS 31 HB2 LYS 31 -5.583 -3.280 -7.905 161 HB3 LYS 31 HB1 LYS 31 -5.001 -4.634 -8.860 162 HG2 LYS 31 HG2 LYS 31 -5.765 -3.598 -10.889 163 HG3 LYS 31 HG1 LYS 31 -6.519 -2.288 -9.976 164 HD2 LYS 31 HD2 LYS 31 -4.315 -1.685 -10.967 165 HD3 LYS 31 HD1 LYS 31 -4.382 -1.507 -9.214 166 HE2 LYS 31 HE2 LYS 31 -2.291 -2.537 -9.830 167 HE3 LYS 31 HE1 LYS 31 -3.298 -3.708 -8.984 168 HZ1 LYS 31 HZ1 LYS 31 -2.294 -4.756 -10.860 169 HZ2 LYS 31 HZ2 LYS 31 -2.833 -3.550 -11.912 170 HZ3 LYS 31 HZ3 LYS 31 -3.945 -4.596 -11.185 171 H ARG 32 HN ARG 32 -7.047 -4.120 -6.159 172 HA ARG 32 HA ARG 32 -5.982 -6.546 -5.186 173 HB2 ARG 32 HB2 ARG 32 -7.330 -4.210 -3.887 174 HB3 ARG 32 HB1 ARG 32 -6.713 -5.556 -2.952 175 HG2 ARG 32 HG2 ARG 32 -4.497 -5.100 -3.551 176 HG3 ARG 32 HG1 ARG 32 -4.984 -4.060 -4.889 177 HD2 ARG 32 HD2 ARG 32 -4.235 -2.604 -3.215 178 HD3 ARG 32 HD1 ARG 32 -5.992 -2.534 -3.133 179 HE ARG 32 HE ARG 32 -5.454 -4.382 -1.290 180 HH11 ARG 32 HH11 ARG 32 -4.061 -1.238 -1.899 181 HH12 ARG 32 HH12 ARG 32 -3.626 -0.953 -0.240 182 HH21 ARG 32 HH21 ARG 32 -4.856 -4.044 0.888 183 HH22 ARG 32 HH22 ARG 32 -4.031 -2.580 1.331 184 H ARG 33 HN ARG 33 -9.262 -5.307 -5.464 185 HA ARG 33 HA ARG 33 -10.475 -7.452 -4.060 186 HB2 ARG 33 HB2 ARG 33 -11.642 -5.362 -4.247 187 HB3 ARG 33 HB1 ARG 33 -11.609 -5.445 -6.000 188 HG2 ARG 33 HG2 ARG 33 -13.236 -7.094 -6.074 189 HG3 ARG 33 HG1 ARG 33 -12.988 -7.560 -4.393 190 HD2 ARG 33 HD2 ARG 33 -13.991 -5.556 -3.610 191 HD3 ARG 33 HD1 ARG 33 -14.060 -4.873 -5.231 192 HE ARG 33 HE ARG 33 -15.623 -6.858 -5.676 193 HH11 ARG 33 HH11 ARG 33 -15.348 -5.242 -2.582 194 HH12 ARG 33 HH12 ARG 33 -16.990 -5.559 -2.128 195 HH21 ARG 33 HH21 ARG 33 -17.782 -7.283 -5.079 196 HH22 ARG 33 HH22 ARG 33 -18.382 -6.716 -3.552 197 H GLU 34 HN GLU 34 -9.834 -6.825 -7.466 198 HA GLU 34 HA GLU 34 -10.991 -9.148 -8.525 199 HB2 GLU 34 HB2 GLU 34 -10.049 -7.179 -9.803 200 HB3 GLU 34 HB1 GLU 34 -8.446 -7.830 -9.487 201 HG2 GLU 34 HG2 GLU 34 -9.119 -8.473 -11.685 202 HG3 GLU 34 HG1 GLU 34 -9.109 -9.905 -10.656 203 H SER 35 HN SER 35 -7.808 -8.520 -7.150 204 HA SER 35 HA SER 35 -6.618 -11.003 -7.612 205 HB2 SER 35 HB2 SER 35 -5.420 -8.966 -6.848 206 HB3 SER 35 HB1 SER 35 -6.171 -9.138 -5.264 207 HG SER 35 HG SER 35 -4.166 -10.665 -6.483 208 H ARG 36 HN ARG 36 -8.779 -9.916 -5.046 209 HA ARG 36 HA ARG 36 -8.563 -12.442 -3.628 210 HB2 ARG 36 HB2 ARG 36 -9.863 -9.830 -3.113 211 HB3 ARG 36 HB1 ARG 36 -10.557 -11.230 -2.329 212 HG2 ARG 36 HG2 ARG 36 -9.096 -10.611 -0.709 213 HG3 ARG 36 HG1 ARG 36 -8.008 -11.621 -1.667 214 HD2 ARG 36 HD2 ARG 36 -7.291 -9.589 -2.878 215 HD3 ARG 36 HD1 ARG 36 -8.294 -8.634 -1.804 216 HE ARG 36 HE ARG 36 -6.743 -9.920 -0.053 217 HH11 ARG 36 HH11 ARG 36 -5.932 -8.258 -3.021 218 HH12 ARG 36 HH12 ARG 36 -4.375 -7.738 -2.462 219 HH21 ARG 36 HH21 ARG 36 -4.699 -9.215 0.703 220 HH22 ARG 36 HH22 ARG 36 -3.681 -8.275 -0.342 221 H GLY 37 HN GLY 37 -9.912 -11.893 -6.411 222 HA2 GLY 37 HA2 GLY 37 -11.573 -12.943 -7.597 223 HA3 GLY 37 HA1 GLY 37 -11.783 -14.003 -6.212 224 H GLY 38 HN GLY 38 -12.140 -10.512 -6.135 225 HA2 GLY 38 HA2 GLY 38 -14.064 -9.202 -6.077 226 HA3 GLY 38 HA1 GLY 38 -15.035 -10.651 -6.257 227 H LYS 39 HN LYS 39 -13.345 -11.805 -3.968 228 HA LYS 39 HA LYS 39 -15.156 -10.969 -1.891 229 HB2 LYS 39 HB2 LYS 39 -13.080 -13.104 -2.088 230 HB3 LYS 39 HB1 LYS 39 -13.866 -12.715 -0.561 231 HG2 LYS 39 HG2 LYS 39 -15.332 -13.448 -3.077 232 HG3 LYS 39 HG1 LYS 39 -14.919 -14.573 -1.795 233 HD2 LYS 39 HD2 LYS 39 -16.254 -13.324 -0.209 234 HD3 LYS 39 HD1 LYS 39 -16.607 -12.110 -1.436 235 HE2 LYS 39 HE2 LYS 39 -18.488 -13.611 -1.184 236 HE3 LYS 39 HE1 LYS 39 -17.755 -13.813 -2.773 237 HZ1 LYS 39 HZ1 LYS 39 -16.640 -15.791 -1.986 238 HZ2 LYS 39 HZ2 LYS 39 -18.306 -15.935 -1.746 239 HZ3 LYS 39 HZ3 LYS 39 -17.291 -15.587 -0.439 240 H TYR 40 HN TYR 40 -13.920 -8.770 -2.325 241 HA TYR 40 HA TYR 40 -12.034 -8.475 -0.098 242 HB2 TYR 40 HB2 TYR 40 -10.847 -8.565 -2.344 243 HB3 TYR 40 HB1 TYR 40 -11.670 -7.063 -2.731 244 HD1 TYR 40 HD2 TYR 40 -9.876 -8.338 0.279 245 HD2 TYR 40 HD1 TYR 40 -10.215 -5.270 -2.645 246 HE1 TYR 40 HE2 TYR 40 -8.097 -7.086 1.407 247 HE2 TYR 40 HE1 TYR 40 -8.416 -4.008 -1.528 248 HH TYR 40 HH TYR 40 -6.539 -5.403 1.068 249 H SER 41 HN SER 41 -13.386 -7.341 1.235 250 HA SER 41 HA SER 41 -15.127 -5.325 0.187 251 HB2 SER 41 HB2 SER 41 -14.782 -4.977 2.949 252 HB3 SER 41 HB1 SER 41 -16.175 -5.624 2.112 253 HG SER 41 HG SER 41 -14.571 -6.922 3.725 254 H ILE 42 HN ILE 42 -15.096 -3.098 1.011 255 HA ILE 42 HA ILE 42 -12.592 -1.905 0.521 256 HB ILE 42 HB ILE 42 -14.877 -0.845 0.241 257 HG12 ILE 42 HG12 ILE 42 -13.519 1.268 1.598 258 HG13 ILE 42 HG11 ILE 42 -12.313 0.223 0.868 259 HG21 ILE 42 HG21 ILE 42 -15.764 0.401 2.122 260 HG22 ILE 42 HG22 ILE 42 -14.459 -0.194 3.154 261 HG23 ILE 42 HG23 ILE 42 -15.678 -1.314 2.528 262 HD11 ILE 42 HD11 ILE 42 -13.153 0.602 -1.278 263 HD12 ILE 42 HD12 ILE 42 -13.083 2.178 -0.481 264 HD13 ILE 42 HD13 ILE 42 -14.629 1.346 -0.652 265 H ASP 43 HN ASP 43 -14.179 -2.945 3.470 266 HA ASP 43 HA ASP 43 -12.612 -1.344 5.213 267 HB2 ASP 43 HB2 ASP 43 -13.566 -2.556 7.001 268 HB3 ASP 43 HB1 ASP 43 -14.816 -2.543 5.756 269 H ASP 44 HN ASP 44 -12.145 -4.471 3.732 270 HA ASP 44 HA ASP 44 -9.800 -5.196 5.161 271 HB2 ASP 44 HB2 ASP 44 -11.278 -6.602 3.520 272 HB3 ASP 44 HB1 ASP 44 -10.252 -5.914 2.274 273 H TYR 45 HN TYR 45 -10.432 -3.460 2.156 274 HA TYR 45 HA TYR 45 -7.782 -2.787 1.516 275 HB2 TYR 45 HB2 TYR 45 -9.612 -2.511 -0.098 276 HB3 TYR 45 HB1 TYR 45 -10.344 -1.260 0.902 277 HD1 TYR 45 HD2 TYR 45 -7.352 -2.085 -1.122 278 HD2 TYR 45 HD1 TYR 45 -9.631 0.997 0.721 279 HE1 TYR 45 HE2 TYR 45 -5.984 -0.397 -2.269 280 HE2 TYR 45 HE1 TYR 45 -8.251 2.699 -0.431 281 HH TYR 45 HH TYR 45 -5.795 2.716 -1.418 282 H LEU 46 HN LEU 46 -10.242 -1.073 3.364 283 HA LEU 46 HA LEU 46 -8.821 1.297 3.792 284 HB2 LEU 46 HB2 LEU 46 -11.066 0.025 5.342 285 HB3 LEU 46 HB1 LEU 46 -10.507 1.658 5.602 286 HG LEU 46 HG LEU 46 -11.740 0.609 3.066 287 HD11 LEU 46 HD11 LEU 46 -12.778 2.524 5.150 288 HD12 LEU 46 HD12 LEU 46 -13.340 0.872 4.887 289 HD13 LEU 46 HD13 LEU 46 -13.589 2.098 3.643 290 HD21 LEU 46 HD21 LEU 46 -11.701 2.952 2.341 291 HD22 LEU 46 HD22 LEU 46 -10.077 2.300 2.573 292 HD23 LEU 46 HD23 LEU 46 -10.781 3.370 3.784 293 H ALA 47 HN ALA 47 -8.906 -1.709 5.628 294 HA ALA 47 HA ALA 47 -7.566 -0.654 7.922 295 HB1 ALA 47 HB1 ALA 47 -7.398 -2.942 8.657 296 HB2 ALA 47 HB2 ALA 47 -7.756 -3.530 7.034 297 HB3 ALA 47 HB3 ALA 47 -8.999 -2.686 7.959 298 H ASP 48 HN ASP 48 -6.549 -1.981 4.890 299 HA ASP 48 HA ASP 48 -3.758 -2.072 5.739 300 HB2 ASP 48 HB2 ASP 48 -4.813 -3.782 4.175 301 HB3 ASP 48 HB1 ASP 48 -4.872 -2.510 2.962 302 H ARG 49 HN ARG 49 -5.989 -0.171 3.865 303 HA ARG 49 HA ARG 49 -4.233 1.673 2.697 304 HB2 ARG 49 HB2 ARG 49 -6.629 1.500 2.132 305 HB3 ARG 49 HB1 ARG 49 -7.035 2.144 3.715 306 HG2 ARG 49 HG2 ARG 49 -5.875 4.215 3.173 307 HG3 ARG 49 HG1 ARG 49 -5.496 3.582 1.570 308 HD2 ARG 49 HD2 ARG 49 -7.958 3.321 1.223 309 HD3 ARG 49 HD1 ARG 49 -8.204 4.218 2.714 310 HE ARG 49 HE ARG 49 -6.704 5.364 0.433 311 HH11 ARG 49 HH11 ARG 49 -9.202 5.598 2.876 312 HH12 ARG 49 HH12 ARG 49 -9.633 7.229 2.473 313 HH21 ARG 49 HH21 ARG 49 -7.261 7.508 -0.106 314 HH22 ARG 49 HH22 ARG 49 -8.519 8.318 0.775 315 H GLU 50 HN GLU 50 -5.726 1.496 5.886 316 HA GLU 50 HA GLU 50 -4.945 3.983 6.884 317 HB2 GLU 50 HB2 GLU 50 -5.707 3.227 8.901 318 HB3 GLU 50 HB1 GLU 50 -6.396 1.964 7.892 319 HG2 GLU 50 HG2 GLU 50 -5.476 0.690 9.517 320 HG3 GLU 50 HG1 GLU 50 -4.104 0.779 8.415 321 H ARG 51 HN ARG 51 -3.208 1.014 6.433 322 HA ARG 51 HA ARG 51 -0.822 1.827 7.770 323 HB2 ARG 51 HB2 ARG 51 -1.297 -0.334 5.736 324 HB3 ARG 51 HB1 ARG 51 0.178 -0.126 6.688 325 HG2 ARG 51 HG2 ARG 51 -1.588 -0.174 8.666 326 HG3 ARG 51 HG1 ARG 51 -2.473 -1.110 7.466 327 HD2 ARG 51 HD2 ARG 51 -0.476 -2.540 7.190 328 HD3 ARG 51 HD1 ARG 51 0.279 -1.642 8.506 329 HE ARG 51 HE ARG 51 -1.766 -2.437 9.834 330 HH11 ARG 51 HH11 ARG 51 -0.243 -4.277 7.275 331 HH12 ARG 51 HH12 ARG 51 -0.733 -5.812 7.913 332 HH21 ARG 51 HH21 ARG 51 -2.401 -4.461 10.686 333 HH22 ARG 51 HH22 ARG 51 -1.947 -5.920 9.861 334 H GLU 52 HN GLU 52 -2.055 1.837 4.514 335 HA GLU 52 HA GLU 52 0.363 2.589 3.254 336 HB2 GLU 52 HB2 GLU 52 -2.462 2.796 2.224 337 HB3 GLU 52 HB1 GLU 52 -0.995 2.882 1.251 338 HG2 GLU 52 HG2 GLU 52 -0.420 0.609 1.997 339 HG3 GLU 52 HG1 GLU 52 -1.944 0.531 2.856 340 H GLU 53 HN GLU 53 -2.122 4.392 4.846 341 HA GLU 53 HA GLU 53 -1.561 6.936 3.751 342 HB2 GLU 53 HB2 GLU 53 -2.469 6.236 6.552 343 HB3 GLU 53 HB1 GLU 53 -2.539 7.836 5.828 344 HG2 GLU 53 HG2 GLU 53 -4.105 7.007 4.148 345 HG3 GLU 53 HG1 GLU 53 -4.037 5.405 4.884 346 H GLU 54 HN GLU 54 -0.010 4.949 6.117 347 HA GLU 54 HA GLU 54 1.894 6.929 6.966 348 HB2 GLU 54 HB2 GLU 54 1.320 5.177 8.512 349 HB3 GLU 54 HB1 GLU 54 1.679 3.938 7.323 350 HG2 GLU 54 HG2 GLU 54 3.435 3.948 8.908 351 HG3 GLU 54 HG1 GLU 54 4.062 4.646 7.417 352 H LEU 55 HN LEU 55 1.621 4.456 4.582 353 HA LEU 55 HA LEU 55 4.448 4.376 3.987 354 HB2 LEU 55 HB2 LEU 55 2.214 3.064 2.440 355 HB3 LEU 55 HB1 LEU 55 3.903 2.598 2.485 356 HG LEU 55 HG LEU 55 2.028 2.417 4.848 357 HD11 LEU 55 HD11 LEU 55 1.895 0.060 4.484 358 HD12 LEU 55 HD12 LEU 55 3.016 0.158 3.120 359 HD13 LEU 55 HD13 LEU 55 1.412 0.877 2.996 360 HD21 LEU 55 HD21 LEU 55 4.341 2.662 5.509 361 HD22 LEU 55 HD22 LEU 55 4.814 1.357 4.420 362 HD23 LEU 55 HD23 LEU 55 3.791 1.014 5.815 363 H LEU 56 HN LEU 56 1.815 4.572 1.625 364 HA LEU 56 HA LEU 56 1.533 5.746 -0.280 365 HB2 LEU 56 HB2 LEU 56 2.756 7.914 1.416 366 HB3 LEU 56 HB1 LEU 56 2.066 8.198 -0.169 367 HG LEU 56 HG LEU 56 0.551 7.150 2.223 368 HD11 LEU 56 HD11 LEU 56 1.224 9.484 2.489 369 HD12 LEU 56 HD12 LEU 56 -0.517 9.340 2.243 370 HD13 LEU 56 HD13 LEU 56 0.520 9.867 0.918 371 HD21 LEU 56 HD21 LEU 56 -0.383 7.963 -0.529 372 HD22 LEU 56 HD22 LEU 56 -1.432 7.555 0.830 373 HD23 LEU 56 HD23 LEU 56 -0.375 6.328 0.133 374 H GLU 57 HN GLU 57 4.472 7.477 0.605 375 HA GLU 57 HA GLU 57 5.527 6.858 -2.046 376 HB2 GLU 57 HB2 GLU 57 7.124 8.726 -1.537 377 HB3 GLU 57 HB1 GLU 57 5.432 9.204 -1.573 378 HG2 GLU 57 HG2 GLU 57 5.387 9.080 0.894 379 HG3 GLU 57 HG1 GLU 57 7.112 8.714 0.878 380 H ARG 58 HN ARG 58 7.293 5.661 -2.373 381 HA ARG 58 HA ARG 58 8.415 4.266 -0.107 382 HB2 ARG 58 HB2 ARG 58 8.905 4.036 -3.076 383 HB3 ARG 58 HB1 ARG 58 9.668 3.010 -1.870 384 HG2 ARG 58 HG2 ARG 58 6.708 3.222 -2.384 385 HG3 ARG 58 HG1 ARG 58 7.763 1.901 -2.897 386 HD2 ARG 58 HD2 ARG 58 7.165 2.719 -0.056 387 HD3 ARG 58 HD1 ARG 58 6.548 1.290 -0.882 388 HE ARG 58 HE ARG 58 9.065 0.730 -1.095 389 HH11 ARG 58 HH11 ARG 58 7.576 2.343 1.647 390 HH12 ARG 58 HH12 ARG 58 8.713 1.710 2.791 391 HH21 ARG 58 HH21 ARG 58 10.565 -0.084 0.417 392 HH22 ARG 58 HH22 ARG 58 10.414 0.335 2.095 393 H ASP 59 HN ASP 59 9.099 7.059 -1.792 394 HA ASP 59 HA ASP 59 10.763 8.582 -1.745 395 HB2 ASP 59 HB2 ASP 59 10.283 8.385 0.680 396 HB3 ASP 59 HB1 ASP 59 11.570 7.192 0.811 397 H GLU 60 HN GLU 60 12.815 6.259 -0.083 398 HA GLU 60 HA GLU 60 14.887 6.904 -1.997 399 HB2 GLU 60 HB2 GLU 60 15.160 6.887 0.529 400 HB3 GLU 60 HB1 GLU 60 15.127 5.133 0.426 401 HG2 GLU 60 HG2 GLU 60 17.070 5.255 -1.120 402 HG3 GLU 60 HG1 GLU 60 17.146 6.989 -0.806 403 H GLU 61 HN GLU 61 12.609 4.465 -1.665 404 HA GLU 61 HA GLU 61 13.892 2.092 -2.179 405 HB2 GLU 61 HB2 GLU 61 11.480 2.296 -1.745 406 HB3 GLU 61 HB1 GLU 61 11.249 2.980 -3.349 407 HG2 GLU 61 HG2 GLU 61 12.038 0.892 -4.348 408 HG3 GLU 61 HG1 GLU 61 12.261 0.210 -2.740 409 H GLU 62 HN GLU 62 13.095 4.627 -4.498 410 HA GLU 62 HA GLU 62 15.159 3.600 -6.244 411 HB2 GLU 62 HB2 GLU 62 13.160 2.431 -7.076 412 HB3 GLU 62 HB1 GLU 62 12.329 3.970 -7.255 413 HG2 GLU 62 HG2 GLU 62 14.166 4.633 -8.852 414 HG3 GLU 62 HG1 GLU 62 14.687 2.949 -8.808 415 H ALA 63 HN ALA 63 12.490 5.755 -7.018 416 HA ALA 63 HA ALA 63 13.981 8.141 -6.383 417 HB1 ALA 63 HB1 ALA 63 13.278 7.512 -9.255 418 HB2 ALA 63 HB2 ALA 63 14.907 7.596 -8.583 419 HB3 ALA 63 HB3 ALA 63 13.908 9.048 -8.663 420 H ILE 64 HN ILE 64 12.131 8.303 -5.001 421 HA ILE 64 HA ILE 64 9.657 8.993 -6.435 422 HB ILE 64 HB ILE 64 9.956 8.071 -3.573 423 HG12 ILE 64 HG12 ILE 64 8.417 6.201 -4.577 424 HG13 ILE 64 HG11 ILE 64 9.111 6.709 -6.108 425 HG21 ILE 64 HG21 ILE 64 7.472 8.747 -5.141 426 HG22 ILE 64 HG22 ILE 64 8.140 9.667 -3.791 427 HG23 ILE 64 HG23 ILE 64 7.505 8.043 -3.524 428 HD11 ILE 64 HD11 ILE 64 10.612 5.657 -3.720 429 HD12 ILE 64 HD12 ILE 64 11.359 6.251 -5.203 430 HD13 ILE 64 HD13 ILE 64 10.324 4.821 -5.246 431 H PHE 65 HN PHE 65 11.978 9.957 -4.050 432 HA PHE 65 HA PHE 65 10.639 12.370 -3.301 433 HB2 PHE 65 HB2 PHE 65 12.751 12.893 -2.108 434 HB3 PHE 65 HB1 PHE 65 12.128 11.296 -1.710 435 HD1 PHE 65 HD2 PHE 65 13.147 9.298 -2.921 436 HD2 PHE 65 HD1 PHE 65 14.946 13.151 -2.849 437 HE1 PHE 65 HE2 PHE 65 15.303 8.288 -3.507 438 HE2 PHE 65 HE1 PHE 65 17.116 12.148 -3.431 439 HZ PHE 65 HZ PHE 65 17.301 9.712 -3.759 440 H GLY 66 HN GLY 66 11.210 14.483 -3.863 441 HA2 GLY 66 HA2 GLY 66 12.390 16.108 -5.115 442 HA3 GLY 66 HA1 GLY 66 13.083 14.818 -6.088 443 H ASP 67 HN ASP 67 9.747 14.621 -5.435 444 HA ASP 67 HA ASP 67 7.865 14.815 -6.667 445 HB2 ASP 67 HB2 ASP 67 8.361 17.216 -6.708 446 HB3 ASP 67 HB1 ASP 67 9.369 16.992 -8.135 447 H GLY 68 HN GLY 68 8.167 12.720 -7.470 448 HA2 GLY 68 HA2 GLY 68 7.683 11.501 -9.453 449 HA3 GLY 68 HA1 GLY 68 8.574 12.704 -10.376 450 H PHE 69 HN PHE 69 9.668 10.922 -11.373 451 HA PHE 69 HA PHE 69 11.811 9.837 -9.682 452 HB2 PHE 69 HB2 PHE 69 11.782 7.826 -11.237 453 HB3 PHE 69 HB1 PHE 69 10.425 7.968 -10.131 454 HD1 PHE 69 HD2 PHE 69 8.212 8.694 -10.985 455 HD2 PHE 69 HD1 PHE 69 11.474 7.857 -13.584 456 HE1 PHE 69 HE2 PHE 69 6.651 8.495 -12.875 457 HE2 PHE 69 HE1 PHE 69 9.918 7.653 -15.480 458 HZ PHE 69 HZ PHE 69 7.503 7.974 -15.125 459 H GLY 70 HN GLY 70 12.145 12.216 -10.915 460 HA2 GLY 70 HA2 GLY 70 13.312 11.990 -13.512 461 HA3 GLY 70 HA1 GLY 70 13.439 13.371 -12.433 462 H LEU 71 HN LEU 71 14.464 11.407 -10.330 463 HA LEU 71 HA LEU 71 17.243 11.809 -10.830 464 HB2 LEU 71 HB2 LEU 71 15.844 10.162 -8.723 465 HB3 LEU 71 HB1 LEU 71 17.555 10.540 -8.728 466 HG LEU 71 HG LEU 71 15.348 12.587 -8.534 467 HD11 LEU 71 HD11 LEU 71 16.019 12.797 -6.198 468 HD12 LEU 71 HD12 LEU 71 17.161 11.469 -6.405 469 HD13 LEU 71 HD13 LEU 71 15.428 11.174 -6.555 470 HD21 LEU 71 HD21 LEU 71 17.388 13.456 -9.553 471 HD22 LEU 71 HD22 LEU 71 18.332 12.844 -8.196 472 HD23 LEU 71 HD23 LEU 71 17.150 14.124 -7.940 473 H LYS 72 HN LYS 72 18.752 9.810 -10.358 474 HA LYS 72 HA LYS 72 18.357 8.023 -12.554 475 HB2 LYS 72 HB2 LYS 72 20.497 7.041 -11.906 476 HB3 LYS 72 HB1 LYS 72 20.600 8.794 -11.959 477 HG2 LYS 72 HG2 LYS 72 20.429 8.874 -9.521 478 HG3 LYS 72 HG1 LYS 72 20.319 7.115 -9.472 479 HD2 LYS 72 HD2 LYS 72 22.541 6.957 -10.501 480 HD3 LYS 72 HD1 LYS 72 22.646 8.716 -10.538 481 HE2 LYS 72 HE2 LYS 72 22.373 7.038 -8.048 482 HE3 LYS 72 HE1 LYS 72 23.878 7.729 -8.647 483 HZ1 LYS 72 HZ1 LYS 72 21.492 9.290 -7.825 484 HZ2 LYS 72 HZ2 LYS 72 22.967 9.930 -8.347 485 HZ3 LYS 72 HZ3 LYS 72 22.886 9.071 -6.893 486 H ALA 73 HN ALA 73 18.278 5.732 -12.459 487 HA ALA 73 HA ALA 73 17.192 4.658 -9.949 488 HB1 ALA 73 HB1 ALA 73 15.629 3.294 -11.255 489 HB2 ALA 73 HB2 ALA 73 16.197 4.068 -12.734 490 HB3 ALA 73 HB3 ALA 73 15.359 5.018 -11.508 491 H THR 74 HN THR 74 19.158 3.762 -9.403 492 HA THR 74 HA THR 74 20.670 2.164 -11.244 493 HB THR 74 HB THR 74 21.002 2.397 -8.247 494 HG1 THR 74 HG1 THR 74 21.646 4.374 -8.638 495 HG21 THR 74 HG21 THR 74 22.948 1.670 -10.447 496 HG22 THR 74 HG22 THR 74 22.279 0.568 -9.243 497 HG23 THR 74 HG23 THR 74 23.359 1.870 -8.743 498 H ARG 75 HN ARG 75 20.605 0.023 -11.540 499 HA ARG 75 HA ARG 75 19.915 -2.132 -11.460 500 HB2 ARG 75 HB2 ARG 75 19.601 -1.525 -8.516 501 HB3 ARG 75 HB1 ARG 75 19.468 -3.132 -9.217 502 HG2 ARG 75 HG2 ARG 75 21.759 -3.076 -9.923 503 HG3 ARG 75 HG1 ARG 75 21.918 -1.398 -9.405 504 HD2 ARG 75 HD2 ARG 75 21.448 -2.107 -7.089 505 HD3 ARG 75 HD1 ARG 75 21.394 -3.781 -7.638 506 HE ARG 75 HE ARG 75 23.798 -3.212 -8.444 507 HH11 ARG 75 HH11 ARG 75 22.266 -2.072 -5.518 508 HH12 ARG 75 HH12 ARG 75 23.751 -1.954 -4.629 509 HH21 ARG 75 HH21 ARG 75 25.766 -3.078 -7.277 510 HH22 ARG 75 HH22 ARG 75 25.746 -2.530 -5.629 511 H ARG 76 HN ARG 76 18.055 -0.154 -12.180 512 HA ARG 76 HA ARG 76 15.507 -0.675 -11.007 513 HB2 ARG 76 HB2 ARG 76 14.618 0.528 -12.987 514 HB3 ARG 76 HB1 ARG 76 15.898 1.415 -12.173 515 HG2 ARG 76 HG2 ARG 76 17.492 0.713 -13.866 516 HG3 ARG 76 HG1 ARG 76 16.238 -0.234 -14.669 517 HD2 ARG 76 HD2 ARG 76 16.206 2.753 -14.269 518 HD3 ARG 76 HD1 ARG 76 16.613 1.924 -15.770 519 HE ARG 76 HE ARG 76 14.113 1.010 -15.025 520 HH11 ARG 76 HH11 ARG 76 15.564 4.078 -15.869 521 HH12 ARG 76 HH12 ARG 76 14.104 4.723 -16.548 522 HH21 ARG 76 HH21 ARG 76 12.193 1.856 -15.897 523 HH22 ARG 76 HH22 ARG 76 12.183 3.467 -16.547 524 H SER 77 HN SER 77 17.391 -2.031 -13.582 525 HA SER 77 HA SER 77 15.254 -3.759 -14.483 526 HB2 SER 77 HB2 SER 77 17.138 -4.658 -15.966 527 HB3 SER 77 HB1 SER 77 16.677 -2.977 -16.221 528 HG SER 77 HG SER 77 19.069 -3.841 -15.760 529 H ARG 78 HN ARG 78 15.119 -4.505 -12.177 530 HA ARG 78 HA ARG 78 17.179 -5.999 -10.969 531 HB2 ARG 78 HB2 ARG 78 15.351 -5.005 -9.685 532 HB3 ARG 78 HB1 ARG 78 14.193 -6.062 -10.482 533 HG2 ARG 78 HG2 ARG 78 14.703 -6.852 -8.244 534 HG3 ARG 78 HG1 ARG 78 15.256 -8.007 -9.458 535 HD2 ARG 78 HD2 ARG 78 17.532 -7.017 -9.267 536 HD3 ARG 78 HD1 ARG 78 16.936 -6.015 -7.945 537 HE ARG 78 HE ARG 78 16.467 -8.815 -7.532 538 HH11 ARG 78 HH11 ARG 78 18.805 -6.232 -7.199 539 HH12 ARG 78 HH12 ARG 78 19.713 -7.044 -5.960 540 HH21 ARG 78 HH21 ARG 78 17.673 -9.890 -5.908 541 HH22 ARG 78 HH22 ARG 78 19.083 -9.126 -5.240 542 H LYS 79 HN LYS 79 14.568 -6.887 -13.128 543 HA LYS 79 HA LYS 79 14.932 -9.710 -12.750 544 HB2 LYS 79 HB2 LYS 79 13.282 -9.984 -14.491 545 HB3 LYS 79 HB1 LYS 79 12.757 -8.698 -13.414 546 HG2 LYS 79 HG2 LYS 79 13.687 -7.059 -15.059 547 HG3 LYS 79 HG1 LYS 79 13.953 -8.412 -16.154 548 HD2 LYS 79 HD2 LYS 79 11.297 -7.537 -15.019 549 HD3 LYS 79 HD1 LYS 79 11.861 -7.267 -16.667 550 HE2 LYS 79 HE2 LYS 79 11.370 -9.948 -15.382 551 HE3 LYS 79 HE1 LYS 79 10.305 -9.150 -16.535 552 HZ1 LYS 79 HZ1 LYS 79 13.081 -10.052 -17.078 553 HZ2 LYS 79 HZ2 LYS 79 12.064 -9.280 -18.186 554 HZ3 LYS 79 HZ3 LYS 79 11.667 -10.817 -17.604 555 H ALA 80 HN ALA 80 16.558 -7.321 -14.497 556 HA ALA 80 HA ALA 80 17.483 -9.088 -16.611 557 HB1 ALA 80 HB1 ALA 80 18.288 -6.252 -15.984 558 HB2 ALA 80 HB2 ALA 80 17.012 -6.726 -17.105 559 HB3 ALA 80 HB3 ALA 80 18.688 -7.153 -17.445 560 H GLU 81 HN GLU 81 18.157 -10.247 -14.336 561 HA GLU 81 HA GLU 81 20.779 -9.456 -13.436 562 HB2 GLU 81 HB2 GLU 81 20.626 -11.609 -12.118 563 HB3 GLU 81 HB1 GLU 81 19.379 -10.417 -11.781 564 HG2 GLU 81 HG2 GLU 81 17.809 -11.640 -13.174 565 HG3 GLU 81 HG1 GLU 81 19.061 -12.817 -13.569 566 H ARG 82 HN ARG 82 19.652 -11.033 -16.104 567 HA ARG 82 HA ARG 82 21.893 -12.871 -16.380 568 HB2 ARG 82 HB2 ARG 82 19.639 -12.217 -18.293 569 HB3 ARG 82 HB1 ARG 82 20.822 -13.500 -18.506 570 HG2 ARG 82 HG2 ARG 82 19.968 -14.697 -16.627 571 HG3 ARG 82 HG1 ARG 82 18.914 -13.352 -16.184 572 HD2 ARG 82 HD2 ARG 82 17.699 -13.634 -18.301 573 HD3 ARG 82 HD1 ARG 82 18.727 -15.010 -18.698 574 HE ARG 82 HE ARG 82 17.782 -15.917 -16.469 575 HH11 ARG 82 HH11 ARG 82 16.026 -14.007 -18.826 576 HH12 ARG 82 HH12 ARG 82 14.478 -14.663 -18.396 577 HH21 ARG 82 HH21 ARG 82 15.751 -16.808 -15.924 578 HH22 ARG 82 HH22 ARG 82 14.327 -16.274 -16.755 579 H ALA 83 HN ALA 83 23.576 -12.584 -17.819 580 HA ALA 83 HA ALA 83 24.007 -9.813 -18.631 581 HB1 ALA 83 HB1 ALA 83 26.338 -10.455 -18.926 582 HB2 ALA 83 HB2 ALA 83 25.924 -12.141 -18.617 583 HB3 ALA 83 HB3 ALA 83 25.752 -10.941 -17.335 584 H LYS 84 HN LYS 84 22.159 -11.522 -20.110 585 HA LYS 84 HA LYS 84 23.517 -11.534 -22.723 586 HB2 LYS 84 HB2 LYS 84 21.452 -13.413 -21.603 587 HB3 LYS 84 HB1 LYS 84 21.640 -13.215 -23.337 588 HG2 LYS 84 HG2 LYS 84 22.873 -15.133 -22.703 589 HG3 LYS 84 HG1 LYS 84 24.040 -13.864 -23.069 590 HD2 LYS 84 HD2 LYS 84 24.341 -13.426 -20.701 591 HD3 LYS 84 HD1 LYS 84 23.114 -14.632 -20.303 592 HE2 LYS 84 HE2 LYS 84 24.492 -16.382 -21.270 593 HE3 LYS 84 HE1 LYS 84 25.701 -15.191 -21.749 594 HZ1 LYS 84 HZ1 LYS 84 26.133 -14.711 -19.450 595 HZ2 LYS 84 HZ2 LYS 84 26.279 -16.376 -19.693 596 HZ3 LYS 84 HZ3 LYS 84 24.899 -15.751 -18.946 597 H LEU 85 HN LEU 85 21.980 -9.413 -21.270 598 HA LEU 85 HA LEU 85 19.753 -9.088 -23.161 599 HB2 LEU 85 HB2 LEU 85 20.165 -8.019 -20.384 600 HB3 LEU 85 HB1 LEU 85 19.007 -7.295 -21.481 601 HG LEU 85 HG LEU 85 17.968 -9.624 -21.665 602 HD11 LEU 85 HD11 LEU 85 18.330 -11.091 -19.740 603 HD12 LEU 85 HD12 LEU 85 19.633 -10.038 -19.190 604 HD13 LEU 85 HD13 LEU 85 19.786 -10.909 -20.717 605 HD21 LEU 85 HD21 LEU 85 17.878 -8.161 -19.037 606 HD22 LEU 85 HD22 LEU 85 16.669 -9.296 -19.632 607 HD23 LEU 85 HD23 LEU 85 16.938 -7.771 -20.476 Start of MODEL 6 1 H1 GLY 11 HT1 GLY 11 -31.421 -1.965 8.572 2 H2 GLY 11 HT2 GLY 11 -31.449 -2.233 6.905 3 H3 GLY 11 HT3 GLY 11 -32.544 -1.154 7.603 4 HA2 GLY 11 HA1 GLY 11 -30.784 0.047 6.492 5 HA3 GLY 11 HA2 GLY 11 -30.757 0.327 8.229 6 H ARG 12 HN ARG 12 -29.379 -1.778 5.729 7 HA ARG 12 HA ARG 12 -27.155 -2.535 7.383 8 HB2 ARG 12 HB2 ARG 12 -28.245 -3.885 5.468 9 HB3 ARG 12 HB1 ARG 12 -27.320 -2.849 4.401 10 HG2 ARG 12 HG2 ARG 12 -26.141 -4.905 4.696 11 HG3 ARG 12 HG1 ARG 12 -25.246 -3.611 5.494 12 HD2 ARG 12 HD2 ARG 12 -26.320 -4.298 7.639 13 HD3 ARG 12 HD1 ARG 12 -27.021 -5.674 6.793 14 HE ARG 12 HE ARG 12 -24.463 -6.053 6.250 15 HH11 ARG 12 HH11 ARG 12 -25.969 -5.136 9.273 16 HH12 ARG 12 HH12 ARG 12 -24.754 -5.892 10.252 17 HH21 ARG 12 HH21 ARG 12 -22.865 -7.042 7.538 18 HH22 ARG 12 HH22 ARG 12 -22.985 -6.973 9.270 19 HA PRO 13 HA PRO 13 -24.700 0.997 6.331 20 HB2 PRO 13 HB2 PRO 13 -22.336 0.161 7.350 21 HB3 PRO 13 HB1 PRO 13 -23.680 0.697 8.359 22 HG2 PRO 13 HG2 PRO 13 -22.692 -2.039 7.811 23 HG3 PRO 13 HG1 PRO 13 -23.486 -1.395 9.255 24 HD2 PRO 13 HD2 PRO 13 -24.685 -2.935 7.248 25 HD3 PRO 13 HD1 PRO 13 -25.531 -2.009 8.496 26 H GLY 14 HN GLY 14 -25.062 0.155 4.020 27 HA2 GLY 14 HA2 GLY 14 -22.385 -0.279 2.869 28 HA3 GLY 14 HA1 GLY 14 -23.738 -1.259 2.323 29 H VAL 15 HN VAL 15 -24.077 2.089 3.199 30 HA VAL 15 HA VAL 15 -25.279 2.633 0.631 31 HB VAL 15 HB VAL 15 -25.787 4.856 1.574 32 HG11 VAL 15 HG11 VAL 15 -26.451 2.559 3.413 33 HG12 VAL 15 HG12 VAL 15 -27.326 3.002 1.947 34 HG13 VAL 15 HG13 VAL 15 -27.311 4.097 3.330 35 HG21 VAL 15 HG21 VAL 15 -24.357 3.845 4.034 36 HG22 VAL 15 HG22 VAL 15 -25.239 5.367 3.893 37 HG23 VAL 15 HG23 VAL 15 -23.769 5.107 2.950 38 H PHE 16 HN PHE 16 -22.208 3.053 2.074 39 HA PHE 16 HA PHE 16 -21.380 4.740 -0.184 40 HB2 PHE 16 HB2 PHE 16 -21.670 6.087 1.921 41 HB3 PHE 16 HB1 PHE 16 -20.405 5.111 2.655 42 HD1 PHE 16 HD1 PHE 16 -21.106 7.464 -0.109 43 HD2 PHE 16 HD2 PHE 16 -18.146 5.631 2.334 44 HE1 PHE 16 HE1 PHE 16 -19.414 9.014 -1.000 45 HE2 PHE 16 HE2 PHE 16 -16.453 7.178 1.450 46 HZ PHE 16 HZ PHE 16 -17.086 8.871 -0.219 47 H ARG 17 HN ARG 17 -19.753 3.354 2.647 48 HA ARG 17 HA ARG 17 -17.963 1.987 2.873 49 HB2 ARG 17 HB2 ARG 17 -19.235 0.602 0.505 50 HB3 ARG 17 HB1 ARG 17 -18.037 -0.107 1.579 51 HG2 ARG 17 HG2 ARG 17 -20.747 0.859 2.452 52 HG3 ARG 17 HG1 ARG 17 -20.356 -0.815 2.057 53 HD2 ARG 17 HD2 ARG 17 -18.881 0.754 4.160 54 HD3 ARG 17 HD1 ARG 17 -20.324 -0.194 4.515 55 HE ARG 17 HE ARG 17 -18.609 -1.902 3.201 56 HH11 ARG 17 HH11 ARG 17 -18.455 0.035 6.106 57 HH12 ARG 17 HH12 ARG 17 -17.470 -1.101 6.968 58 HH21 ARG 17 HH21 ARG 17 -17.328 -3.413 4.333 59 HH22 ARG 17 HH22 ARG 17 -16.844 -3.074 5.964 60 H THR 18 HN THR 18 -16.949 4.108 1.877 61 HA THR 18 HA THR 18 -14.914 3.147 0.052 62 HB THR 18 HB THR 18 -15.590 5.731 -0.944 63 HG1 THR 18 HG1 THR 18 -17.753 3.887 -0.758 64 HG21 THR 18 HG21 THR 18 -14.358 3.981 -2.150 65 HG22 THR 18 HG22 THR 18 -15.753 4.544 -3.069 66 HG23 THR 18 HG23 THR 18 -15.823 3.002 -2.217 67 H ARG 19 HN ARG 19 -16.025 5.242 2.490 68 HA ARG 19 HA ARG 19 -15.024 6.631 3.955 69 HB2 ARG 19 HB2 ARG 19 -13.292 4.908 4.096 70 HB3 ARG 19 HB1 ARG 19 -12.456 5.623 2.728 71 HG2 ARG 19 HG2 ARG 19 -11.939 7.591 3.991 72 HG3 ARG 19 HG1 ARG 19 -12.934 7.037 5.340 73 HD2 ARG 19 HD2 ARG 19 -11.458 5.145 5.688 74 HD3 ARG 19 HD1 ARG 19 -10.490 5.616 4.292 75 HE ARG 19 HE ARG 19 -10.356 7.807 5.844 76 HH11 ARG 19 HH11 ARG 19 -9.914 4.422 6.607 77 HH12 ARG 19 HH12 ARG 19 -8.653 4.715 7.768 78 HH21 ARG 19 HH21 ARG 19 -8.738 8.201 7.399 79 HH22 ARG 19 HH22 ARG 19 -8.007 6.870 8.237 80 H GLY 20 HN GLY 20 -12.811 6.907 1.201 81 HA2 GLY 20 HA2 GLY 20 -13.924 9.331 0.206 82 HA3 GLY 20 HA1 GLY 20 -12.487 9.655 1.173 83 H LEU 21 HN LEU 21 -13.006 6.747 -0.635 84 HA LEU 21 HA LEU 21 -10.420 6.805 -1.716 85 HB2 LEU 21 HB2 LEU 21 -12.652 5.007 -1.670 86 HB3 LEU 21 HB1 LEU 21 -11.977 5.075 -3.288 87 HG LEU 21 HG LEU 21 -9.739 4.614 -2.271 88 HD11 LEU 21 HD11 LEU 21 -11.403 4.500 0.166 89 HD12 LEU 21 HD12 LEU 21 -9.769 5.132 -0.078 90 HD13 LEU 21 HD13 LEU 21 -10.043 3.393 0.011 91 HD21 LEU 21 HD21 LEU 21 -11.650 2.410 -1.665 92 HD22 LEU 21 HD22 LEU 21 -10.013 2.315 -2.307 93 HD23 LEU 21 HD23 LEU 21 -11.324 2.926 -3.317 94 H THR 22 HN THR 22 -9.646 7.870 -3.337 95 HA THR 22 HA THR 22 -11.351 9.048 -5.342 96 HB THR 22 HB THR 22 -9.150 9.784 -6.336 97 HG1 THR 22 HG1 THR 22 -8.087 8.762 -3.885 98 HG21 THR 22 HG21 THR 22 -9.755 10.466 -3.444 99 HG22 THR 22 HG22 THR 22 -10.406 11.266 -4.877 100 HG23 THR 22 HG23 THR 22 -8.690 11.406 -4.496 101 H ASP 23 HN ASP 23 -10.382 8.763 -7.714 102 HA ASP 23 HA ASP 23 -11.105 6.184 -8.490 103 HB2 ASP 23 HB2 ASP 23 -9.648 8.390 -9.930 104 HB3 ASP 23 HB1 ASP 23 -9.965 6.846 -10.704 105 H GLU 24 HN GLU 24 -7.950 7.535 -7.754 106 HA GLU 24 HA GLU 24 -6.477 5.361 -8.848 107 HB2 GLU 24 HB2 GLU 24 -4.548 6.319 -7.720 108 HB3 GLU 24 HB1 GLU 24 -5.490 7.587 -8.490 109 HG2 GLU 24 HG2 GLU 24 -6.360 8.330 -6.421 110 HG3 GLU 24 HG1 GLU 24 -5.723 6.921 -5.576 111 H GLU 25 HN GLU 25 -7.526 6.156 -5.533 112 HA GLU 25 HA GLU 25 -6.367 3.852 -4.346 113 HB2 GLU 25 HB2 GLU 25 -8.723 5.470 -3.368 114 HB3 GLU 25 HB1 GLU 25 -7.796 4.324 -2.424 115 HG2 GLU 25 HG2 GLU 25 -5.963 5.703 -2.294 116 HG3 GLU 25 HG1 GLU 25 -6.459 6.678 -3.678 117 H TYR 26 HN TYR 26 -9.549 4.599 -5.662 118 HA TYR 26 HA TYR 26 -10.748 2.147 -4.921 119 HB2 TYR 26 HB2 TYR 26 -12.031 4.187 -5.560 120 HB3 TYR 26 HB1 TYR 26 -11.504 3.951 -7.218 121 HD1 TYR 26 HD2 TYR 26 -13.416 2.340 -4.477 122 HD2 TYR 26 HD1 TYR 26 -12.660 2.507 -8.658 123 HE1 TYR 26 HE2 TYR 26 -15.296 0.814 -4.870 124 HE2 TYR 26 HE1 TYR 26 -14.527 0.980 -9.064 125 HH TYR 26 HH TYR 26 -16.834 0.205 -6.678 126 H ASP 27 HN ASP 27 -8.956 3.194 -7.762 127 HA ASP 27 HA ASP 27 -9.407 0.898 -9.341 128 HB2 ASP 27 HB2 ASP 27 -8.395 3.020 -10.200 129 HB3 ASP 27 HB1 ASP 27 -6.939 2.661 -9.282 130 H GLU 28 HN GLU 28 -6.848 1.755 -7.065 131 HA GLU 28 HA GLU 28 -5.357 -0.616 -7.236 132 HB2 GLU 28 HB2 GLU 28 -4.582 1.504 -6.237 133 HB3 GLU 28 HB1 GLU 28 -5.719 1.294 -4.918 134 HG2 GLU 28 HG2 GLU 28 -4.422 -0.178 -3.863 135 HG3 GLU 28 HG1 GLU 28 -3.868 -0.937 -5.351 136 H PHE 29 HN PHE 29 -8.066 0.377 -5.253 137 HA PHE 29 HA PHE 29 -8.317 -1.936 -3.678 138 HB2 PHE 29 HB2 PHE 29 -9.493 0.009 -3.026 139 HB3 PHE 29 HB1 PHE 29 -10.264 0.176 -4.597 140 HD1 PHE 29 HD1 PHE 29 -9.986 -2.617 -2.155 141 HD2 PHE 29 HD2 PHE 29 -12.523 -0.058 -4.397 142 HE1 PHE 29 HE1 PHE 29 -11.940 -3.770 -1.239 143 HE2 PHE 29 HE2 PHE 29 -14.494 -1.217 -3.494 144 HZ PHE 29 HZ PHE 29 -14.195 -3.071 -1.907 145 H LYS 30 HN LYS 30 -9.722 -1.082 -6.845 146 HA LYS 30 HA LYS 30 -11.253 -3.405 -7.176 147 HB2 LYS 30 HB2 LYS 30 -9.838 -1.755 -9.284 148 HB3 LYS 30 HB1 LYS 30 -11.032 -2.994 -9.629 149 HG2 LYS 30 HG2 LYS 30 -12.649 -1.644 -8.242 150 HG3 LYS 30 HG1 LYS 30 -11.448 -0.357 -8.258 151 HD2 LYS 30 HD2 LYS 30 -12.601 -1.644 -10.731 152 HD3 LYS 30 HD1 LYS 30 -13.186 -0.136 -10.028 153 HE2 LYS 30 HE2 LYS 30 -11.099 0.946 -10.435 154 HE3 LYS 30 HE1 LYS 30 -10.341 -0.572 -10.904 155 HZ1 LYS 30 HZ1 LYS 30 -12.540 0.777 -12.369 156 HZ2 LYS 30 HZ2 LYS 30 -11.785 -0.664 -12.829 157 HZ3 LYS 30 HZ3 LYS 30 -10.912 0.783 -12.823 158 H LYS 31 HN LYS 31 -7.887 -2.701 -7.986 159 HA LYS 31 HA LYS 31 -7.249 -5.164 -9.171 160 HB2 LYS 31 HB2 LYS 31 -5.516 -3.230 -7.641 161 HB3 LYS 31 HB1 LYS 31 -4.906 -4.591 -8.572 162 HG2 LYS 31 HG2 LYS 31 -5.785 -3.639 -10.612 163 HG3 LYS 31 HG1 LYS 31 -6.515 -2.313 -9.704 164 HD2 LYS 31 HD2 LYS 31 -4.387 -1.686 -10.799 165 HD3 LYS 31 HD1 LYS 31 -4.339 -1.509 -9.043 166 HE2 LYS 31 HE2 LYS 31 -3.181 -3.634 -8.845 167 HE3 LYS 31 HE1 LYS 31 -3.262 -3.861 -10.591 168 HZ1 LYS 31 HZ1 LYS 31 -1.891 -1.886 -10.869 169 HZ2 LYS 31 HZ2 LYS 31 -1.101 -3.041 -9.925 170 HZ3 LYS 31 HZ3 LYS 31 -1.799 -1.686 -9.191 171 H ARG 32 HN ARG 32 -6.899 -4.025 -5.841 172 HA ARG 32 HA ARG 32 -5.892 -6.424 -4.770 173 HB2 ARG 32 HB2 ARG 32 -7.257 -4.050 -3.566 174 HB3 ARG 32 HB1 ARG 32 -6.713 -5.392 -2.579 175 HG2 ARG 32 HG2 ARG 32 -4.437 -5.042 -3.302 176 HG3 ARG 32 HG1 ARG 32 -4.957 -3.766 -4.403 177 HD2 ARG 32 HD2 ARG 32 -5.801 -2.517 -2.404 178 HD3 ARG 32 HD1 ARG 32 -5.030 -3.741 -1.391 179 HE ARG 32 HE ARG 32 -3.104 -2.824 -3.159 180 HH11 ARG 32 HH11 ARG 32 -4.964 -1.582 -0.464 181 HH12 ARG 32 HH12 ARG 32 -3.861 -0.279 -0.136 182 HH21 ARG 32 HH21 ARG 32 -1.656 -1.131 -2.724 183 HH22 ARG 32 HH22 ARG 32 -1.989 -0.013 -1.430 184 H ARG 33 HN ARG 33 -9.138 -5.246 -5.297 185 HA ARG 33 HA ARG 33 -10.409 -7.375 -3.883 186 HB2 ARG 33 HB2 ARG 33 -11.546 -5.261 -4.128 187 HB3 ARG 33 HB1 ARG 33 -11.458 -5.366 -5.877 188 HG2 ARG 33 HG2 ARG 33 -13.106 -6.991 -5.988 189 HG3 ARG 33 HG1 ARG 33 -12.911 -7.447 -4.299 190 HD2 ARG 33 HD2 ARG 33 -13.847 -5.342 -3.588 191 HD3 ARG 33 HD1 ARG 33 -14.005 -4.805 -5.256 192 HE ARG 33 HE ARG 33 -15.378 -7.276 -4.643 193 HH11 ARG 33 HH11 ARG 33 -15.617 -3.789 -4.845 194 HH12 ARG 33 HH12 ARG 33 -17.350 -3.784 -4.859 195 HH21 ARG 33 HH21 ARG 33 -17.653 -7.272 -4.655 196 HH22 ARG 33 HH22 ARG 33 -18.512 -5.770 -4.751 197 H GLU 34 HN GLU 34 -9.511 -6.787 -7.221 198 HA GLU 34 HA GLU 34 -10.617 -9.128 -8.337 199 HB2 GLU 34 HB2 GLU 34 -9.766 -7.263 -9.686 200 HB3 GLU 34 HB1 GLU 34 -8.136 -7.581 -9.114 201 HG2 GLU 34 HG2 GLU 34 -8.096 -9.694 -10.261 202 HG3 GLU 34 HG1 GLU 34 -9.783 -9.503 -10.737 203 H SER 35 HN SER 35 -7.614 -8.451 -6.658 204 HA SER 35 HA SER 35 -6.330 -10.926 -6.988 205 HB2 SER 35 HB2 SER 35 -5.210 -8.896 -6.138 206 HB3 SER 35 HB1 SER 35 -6.181 -8.979 -4.667 207 HG SER 35 HG SER 35 -4.078 -10.642 -5.525 208 H ARG 36 HN ARG 36 -9.094 -10.061 -5.189 209 HA ARG 36 HA ARG 36 -8.948 -12.554 -3.631 210 HB2 ARG 36 HB2 ARG 36 -10.106 -9.881 -3.068 211 HB3 ARG 36 HB1 ARG 36 -10.941 -11.266 -2.408 212 HG2 ARG 36 HG2 ARG 36 -9.551 -10.771 -0.671 213 HG3 ARG 36 HG1 ARG 36 -8.529 -11.896 -1.569 214 HD2 ARG 36 HD2 ARG 36 -7.454 -9.996 -2.666 215 HD3 ARG 36 HD1 ARG 36 -8.448 -8.899 -1.729 216 HE ARG 36 HE ARG 36 -7.341 -10.029 0.273 217 HH11 ARG 36 HH11 ARG 36 -5.730 -9.624 -2.815 218 HH12 ARG 36 HH12 ARG 36 -4.153 -9.480 -2.115 219 HH21 ARG 36 HH21 ARG 36 -5.263 -9.833 1.194 220 HH22 ARG 36 HH22 ARG 36 -3.886 -9.596 0.167 221 H GLY 37 HN GLY 37 -9.922 -11.890 -6.472 222 HA2 GLY 37 HA2 GLY 37 -11.512 -12.783 -7.872 223 HA3 GLY 37 HA1 GLY 37 -12.027 -13.783 -6.525 224 H GLY 38 HN GLY 38 -12.061 -10.428 -5.922 225 HA2 GLY 38 HA2 GLY 38 -13.859 -8.894 -6.266 226 HA3 GLY 38 HA1 GLY 38 -14.920 -10.256 -6.569 227 H LYS 39 HN LYS 39 -13.445 -11.509 -4.130 228 HA LYS 39 HA LYS 39 -15.427 -10.565 -2.227 229 HB2 LYS 39 HB2 LYS 39 -13.457 -12.835 -2.045 230 HB3 LYS 39 HB1 LYS 39 -14.729 -12.483 -0.877 231 HG2 LYS 39 HG2 LYS 39 -16.263 -12.614 -3.007 232 HG3 LYS 39 HG1 LYS 39 -14.929 -13.588 -3.624 233 HD2 LYS 39 HD2 LYS 39 -16.357 -14.065 -1.027 234 HD3 LYS 39 HD1 LYS 39 -16.691 -14.927 -2.529 235 HE2 LYS 39 HE2 LYS 39 -14.382 -15.747 -2.559 236 HE3 LYS 39 HE1 LYS 39 -14.063 -14.897 -1.050 237 HZ1 LYS 39 HZ1 LYS 39 -15.982 -17.126 -1.441 238 HZ2 LYS 39 HZ2 LYS 39 -15.788 -16.266 0.000 239 HZ3 LYS 39 HZ3 LYS 39 -14.512 -17.196 -0.606 240 H TYR 40 HN TYR 40 -14.121 -8.488 -2.343 241 HA TYR 40 HA TYR 40 -12.266 -8.371 -0.073 242 HB2 TYR 40 HB2 TYR 40 -11.022 -8.527 -2.288 243 HB3 TYR 40 HB1 TYR 40 -11.728 -6.969 -2.684 244 HD1 TYR 40 HD2 TYR 40 -9.942 -8.495 0.215 245 HD2 TYR 40 HD1 TYR 40 -10.311 -5.172 -2.419 246 HE1 TYR 40 HE2 TYR 40 -8.075 -7.397 1.358 247 HE2 TYR 40 HE1 TYR 40 -8.432 -4.058 -1.279 248 HH TYR 40 HH TYR 40 -7.370 -4.260 1.175 249 H SER 41 HN SER 41 -13.499 -7.050 1.237 250 HA SER 41 HA SER 41 -15.257 -5.109 0.013 251 HB2 SER 41 HB2 SER 41 -15.101 -4.835 2.834 252 HB3 SER 41 HB1 SER 41 -16.458 -5.356 1.852 253 HG SER 41 HG SER 41 -14.352 -6.974 2.885 254 H ILE 42 HN ILE 42 -15.327 -2.843 0.942 255 HA ILE 42 HA ILE 42 -12.865 -1.613 0.368 256 HB ILE 42 HB ILE 42 -15.235 -0.579 0.301 257 HG12 ILE 42 HG12 ILE 42 -14.035 1.691 1.095 258 HG13 ILE 42 HG11 ILE 42 -12.634 0.628 1.009 259 HG21 ILE 42 HG21 ILE 42 -15.827 0.763 2.236 260 HG22 ILE 42 HG22 ILE 42 -14.436 0.118 3.118 261 HG23 ILE 42 HG23 ILE 42 -15.769 -0.951 2.661 262 HD11 ILE 42 HD11 ILE 42 -12.811 0.334 -1.249 263 HD12 ILE 42 HD12 ILE 42 -13.260 2.027 -1.030 264 HD13 ILE 42 HD13 ILE 42 -14.508 0.810 -1.283 265 H ASP 43 HN ASP 43 -14.331 -2.643 3.385 266 HA ASP 43 HA ASP 43 -12.637 -1.235 5.136 267 HB2 ASP 43 HB2 ASP 43 -14.649 -2.176 6.005 268 HB3 ASP 43 HB1 ASP 43 -14.206 -3.776 5.445 269 H ASP 44 HN ASP 44 -12.303 -4.279 3.454 270 HA ASP 44 HA ASP 44 -9.945 -5.113 4.815 271 HB2 ASP 44 HB2 ASP 44 -10.961 -5.896 2.073 272 HB3 ASP 44 HB1 ASP 44 -9.704 -6.726 2.978 273 H TYR 45 HN TYR 45 -10.636 -3.184 1.969 274 HA TYR 45 HA TYR 45 -7.904 -2.751 1.259 275 HB2 TYR 45 HB2 TYR 45 -9.612 -2.344 -0.401 276 HB3 TYR 45 HB1 TYR 45 -10.404 -1.166 0.643 277 HD1 TYR 45 HD2 TYR 45 -7.365 -1.804 -1.364 278 HD2 TYR 45 HD1 TYR 45 -9.696 1.093 0.704 279 HE1 TYR 45 HE2 TYR 45 -5.973 -0.018 -2.324 280 HE2 TYR 45 HE1 TYR 45 -8.286 2.902 -0.250 281 HH TYR 45 HH TYR 45 -5.967 3.126 -1.166 282 H LEU 46 HN LEU 46 -10.305 -0.942 3.083 283 HA LEU 46 HA LEU 46 -8.769 1.298 3.708 284 HB2 LEU 46 HB2 LEU 46 -11.062 -0.002 5.176 285 HB3 LEU 46 HB1 LEU 46 -10.412 1.564 5.593 286 HG LEU 46 HG LEU 46 -11.710 0.865 2.955 287 HD11 LEU 46 HD11 LEU 46 -12.692 2.549 5.258 288 HD12 LEU 46 HD12 LEU 46 -13.304 0.959 4.803 289 HD13 LEU 46 HD13 LEU 46 -13.509 2.328 3.711 290 HD21 LEU 46 HD21 LEU 46 -10.645 3.475 4.023 291 HD22 LEU 46 HD22 LEU 46 -11.602 3.293 2.555 292 HD23 LEU 46 HD23 LEU 46 -10.005 2.553 2.662 293 H ALA 47 HN ALA 47 -9.003 -1.852 5.270 294 HA ALA 47 HA ALA 47 -7.498 -1.278 7.579 295 HB1 ALA 47 HB1 ALA 47 -8.805 -3.322 7.338 296 HB2 ALA 47 HB2 ALA 47 -7.120 -3.706 7.686 297 HB3 ALA 47 HB3 ALA 47 -7.741 -3.870 6.043 298 H ASP 48 HN ASP 48 -6.508 -2.402 4.361 299 HA ASP 48 HA ASP 48 -3.715 -2.425 4.995 300 HB2 ASP 48 HB2 ASP 48 -4.853 -3.707 3.095 301 HB3 ASP 48 HB1 ASP 48 -4.914 -2.175 2.231 302 H ARG 49 HN ARG 49 -5.992 -0.162 3.632 303 HA ARG 49 HA ARG 49 -4.235 1.859 2.806 304 HB2 ARG 49 HB2 ARG 49 -6.680 1.685 2.276 305 HB3 ARG 49 HB1 ARG 49 -7.016 2.224 3.914 306 HG2 ARG 49 HG2 ARG 49 -5.854 4.315 3.466 307 HG3 ARG 49 HG1 ARG 49 -5.524 3.779 1.818 308 HD2 ARG 49 HD2 ARG 49 -7.922 3.638 1.404 309 HD3 ARG 49 HD1 ARG 49 -8.248 4.205 3.029 310 HE ARG 49 HE ARG 49 -7.417 5.784 0.757 311 HH11 ARG 49 HH11 ARG 49 -7.558 5.678 4.273 312 HH12 ARG 49 HH12 ARG 49 -7.512 7.404 4.436 313 HH21 ARG 49 HH21 ARG 49 -7.347 8.011 0.984 314 HH22 ARG 49 HH22 ARG 49 -7.369 8.736 2.568 315 H GLU 50 HN GLU 50 -5.755 1.174 5.930 316 HA GLU 50 HA GLU 50 -4.863 3.345 7.428 317 HB2 GLU 50 HB2 GLU 50 -5.307 0.455 8.186 318 HB3 GLU 50 HB1 GLU 50 -4.897 1.695 9.364 319 HG2 GLU 50 HG2 GLU 50 -7.302 1.821 7.565 320 HG3 GLU 50 HG1 GLU 50 -7.320 1.147 9.192 321 H ARG 51 HN ARG 51 -3.231 0.392 6.479 322 HA ARG 51 HA ARG 51 -0.841 0.859 7.950 323 HB2 ARG 51 HB2 ARG 51 -1.344 -0.883 5.559 324 HB3 ARG 51 HB1 ARG 51 0.112 -0.906 6.551 325 HG2 ARG 51 HG2 ARG 51 -1.610 -1.278 8.492 326 HG3 ARG 51 HG1 ARG 51 -2.620 -1.865 7.170 327 HD2 ARG 51 HD2 ARG 51 -0.759 -3.353 6.496 328 HD3 ARG 51 HD1 ARG 51 0.111 -2.819 7.934 329 HE ARG 51 HE ARG 51 -2.116 -3.689 9.049 330 HH11 ARG 51 HH11 ARG 51 -0.197 -5.182 6.519 331 HH12 ARG 51 HH12 ARG 51 -0.671 -6.794 6.948 332 HH21 ARG 51 HH21 ARG 51 -2.733 -5.801 9.605 333 HH22 ARG 51 HH22 ARG 51 -2.106 -7.148 8.712 334 H GLU 52 HN GLU 52 -1.918 1.435 4.676 335 HA GLU 52 HA GLU 52 0.507 2.134 3.517 336 HB2 GLU 52 HB2 GLU 52 -2.263 3.025 2.766 337 HB3 GLU 52 HB1 GLU 52 -0.832 3.217 1.759 338 HG2 GLU 52 HG2 GLU 52 -0.542 0.755 1.839 339 HG3 GLU 52 HG1 GLU 52 -2.090 0.654 2.660 340 H GLU 53 HN GLU 53 -1.577 4.001 5.550 341 HA GLU 53 HA GLU 53 -1.025 6.591 4.824 342 HB2 GLU 53 HB2 GLU 53 -1.241 5.531 7.642 343 HB3 GLU 53 HB1 GLU 53 -1.427 7.210 7.165 344 HG2 GLU 53 HG2 GLU 53 -3.368 6.537 5.773 345 HG3 GLU 53 HG1 GLU 53 -3.217 4.910 6.436 346 H GLU 54 HN GLU 54 0.942 4.501 6.929 347 HA GLU 54 HA GLU 54 2.980 6.556 7.100 348 HB2 GLU 54 HB2 GLU 54 4.151 5.034 8.595 349 HB3 GLU 54 HB1 GLU 54 2.469 5.192 9.084 350 HG2 GLU 54 HG2 GLU 54 1.969 3.060 7.962 351 HG3 GLU 54 HG1 GLU 54 3.677 2.897 7.559 352 H LEU 55 HN LEU 55 2.222 3.884 5.163 353 HA LEU 55 HA LEU 55 4.925 3.179 4.452 354 HB2 LEU 55 HB2 LEU 55 2.365 2.359 3.084 355 HB3 LEU 55 HB1 LEU 55 3.933 1.599 2.919 356 HG LEU 55 HG LEU 55 2.248 1.626 5.423 357 HD11 LEU 55 HD11 LEU 55 2.886 -0.598 3.493 358 HD12 LEU 55 HD12 LEU 55 1.325 0.199 3.683 359 HD13 LEU 55 HD13 LEU 55 1.988 -0.765 5.003 360 HD21 LEU 55 HD21 LEU 55 3.900 0.049 6.300 361 HD22 LEU 55 HD22 LEU 55 4.621 1.621 5.954 362 HD23 LEU 55 HD23 LEU 55 4.879 0.269 4.850 363 H LEU 56 HN LEU 56 2.686 5.530 3.443 364 HA LEU 56 HA LEU 56 3.459 5.838 0.747 365 HB2 LEU 56 HB2 LEU 56 2.464 7.918 2.698 366 HB3 LEU 56 HB1 LEU 56 2.565 8.130 0.961 367 HG LEU 56 HG LEU 56 0.777 6.164 2.397 368 HD11 LEU 56 HD11 LEU 56 0.041 8.460 2.673 369 HD12 LEU 56 HD12 LEU 56 -1.035 7.595 1.575 370 HD13 LEU 56 HD13 LEU 56 0.157 8.725 0.935 371 HD21 LEU 56 HD21 LEU 56 1.485 5.283 0.250 372 HD22 LEU 56 HD22 LEU 56 1.054 6.799 -0.539 373 HD23 LEU 56 HD23 LEU 56 -0.202 5.788 0.173 374 H GLU 57 HN GLU 57 4.805 6.964 3.768 375 HA GLU 57 HA GLU 57 6.907 8.405 2.294 376 HB2 GLU 57 HB2 GLU 57 5.898 8.843 5.110 377 HB3 GLU 57 HB1 GLU 57 7.207 9.738 4.352 378 HG2 GLU 57 HG2 GLU 57 4.335 9.707 3.452 379 HG3 GLU 57 HG1 GLU 57 5.134 11.008 4.335 380 H ARG 58 HN ARG 58 6.415 5.545 3.741 381 HA ARG 58 HA ARG 58 9.187 5.306 4.613 382 HB2 ARG 58 HB2 ARG 58 6.855 4.429 6.323 383 HB3 ARG 58 HB1 ARG 58 8.554 4.174 6.692 384 HG2 ARG 58 HG2 ARG 58 8.887 6.589 6.849 385 HG3 ARG 58 HG1 ARG 58 7.184 6.846 6.473 386 HD2 ARG 58 HD2 ARG 58 6.562 5.626 8.507 387 HD3 ARG 58 HD1 ARG 58 8.270 5.392 8.881 388 HE ARG 58 HE ARG 58 7.369 8.138 8.535 389 HH11 ARG 58 HH11 ARG 58 8.162 5.553 10.762 390 HH12 ARG 58 HH12 ARG 58 8.405 6.619 12.106 391 HH21 ARG 58 HH21 ARG 58 7.679 9.538 10.296 392 HH22 ARG 58 HH22 ARG 58 8.141 8.894 11.840 393 H ASP 59 HN ASP 59 9.403 2.830 5.418 394 HA ASP 59 HA ASP 59 9.362 0.625 4.892 395 HB2 ASP 59 HB2 ASP 59 6.969 0.771 5.169 396 HB3 ASP 59 HB1 ASP 59 6.788 1.406 3.539 397 H GLU 60 HN GLU 60 7.807 1.690 1.890 398 HA GLU 60 HA GLU 60 9.739 0.318 0.283 399 HB2 GLU 60 HB2 GLU 60 7.346 2.033 -0.277 400 HB3 GLU 60 HB1 GLU 60 8.446 1.616 -1.580 401 HG2 GLU 60 HG2 GLU 60 7.177 -0.458 0.175 402 HG3 GLU 60 HG1 GLU 60 6.402 0.158 -1.285 403 H GLU 61 HN GLU 61 9.744 3.318 1.760 404 HA GLU 61 HA GLU 61 11.084 4.751 -0.355 405 HB2 GLU 61 HB2 GLU 61 10.597 5.585 2.511 406 HB3 GLU 61 HB1 GLU 61 11.108 6.634 1.189 407 HG2 GLU 61 HG2 GLU 61 8.462 5.245 1.516 408 HG3 GLU 61 HG1 GLU 61 8.783 6.977 1.533 409 H GLU 62 HN GLU 62 12.150 2.357 1.328 410 HA GLU 62 HA GLU 62 14.211 1.469 1.536 411 HB2 GLU 62 HB2 GLU 62 14.824 2.751 -0.467 412 HB3 GLU 62 HB1 GLU 62 15.251 4.123 0.546 413 HG2 GLU 62 HG2 GLU 62 17.002 2.793 1.613 414 HG3 GLU 62 HG1 GLU 62 16.578 1.421 0.594 415 H ALA 63 HN ALA 63 14.763 1.016 3.501 416 HA ALA 63 HA ALA 63 15.878 1.075 5.460 417 HB1 ALA 63 HB1 ALA 63 17.637 2.072 4.021 418 HB2 ALA 63 HB2 ALA 63 17.727 2.557 5.712 419 HB3 ALA 63 HB3 ALA 63 17.071 3.668 4.511 420 H ILE 64 HN ILE 64 13.351 1.833 5.789 421 HA ILE 64 HA ILE 64 13.625 3.892 7.875 422 HB ILE 64 HB ILE 64 11.072 3.173 6.429 423 HG12 ILE 64 HG12 ILE 64 11.455 5.785 5.875 424 HG13 ILE 64 HG11 ILE 64 13.126 5.236 5.923 425 HG21 ILE 64 HG21 ILE 64 10.161 5.150 7.583 426 HG22 ILE 64 HG22 ILE 64 11.671 5.289 8.484 427 HG23 ILE 64 HG23 ILE 64 10.646 3.868 8.692 428 HD11 ILE 64 HD11 ILE 64 12.600 3.523 4.268 429 HD12 ILE 64 HD12 ILE 64 12.265 5.148 3.676 430 HD13 ILE 64 HD13 ILE 64 10.938 4.112 4.201 431 H PHE 65 HN PHE 65 12.038 0.946 6.877 432 HA PHE 65 HA PHE 65 11.121 0.185 9.462 433 HB2 PHE 65 HB2 PHE 65 10.577 -1.947 8.401 434 HB3 PHE 65 HB1 PHE 65 10.086 -0.623 7.348 435 HD1 PHE 65 HD2 PHE 65 11.657 0.019 5.439 436 HD2 PHE 65 HD1 PHE 65 12.000 -3.620 7.622 437 HE1 PHE 65 HE2 PHE 65 13.001 -0.941 3.620 438 HE2 PHE 65 HE1 PHE 65 13.345 -4.585 5.804 439 HZ PHE 65 HZ PHE 65 13.846 -3.247 3.800 440 H GLY 66 HN GLY 66 11.942 -1.526 10.758 441 HA2 GLY 66 HA2 GLY 66 13.586 -2.706 11.834 442 HA3 GLY 66 HA1 GLY 66 14.152 -3.114 10.223 443 H ASP 67 HN ASP 67 16.245 -2.768 10.069 444 HA ASP 67 HA ASP 67 17.349 -0.313 11.271 445 HB2 ASP 67 HB2 ASP 67 18.072 -2.316 12.513 446 HB3 ASP 67 HB1 ASP 67 18.711 -3.007 11.025 447 H GLY 68 HN GLY 68 16.826 -2.077 8.446 448 HA2 GLY 68 HA2 GLY 68 18.621 -0.309 6.975 449 HA3 GLY 68 HA1 GLY 68 18.884 -2.035 6.799 450 H PHE 69 HN PHE 69 18.409 -2.108 4.642 451 HA PHE 69 HA PHE 69 15.573 -1.885 3.985 452 HB2 PHE 69 HB2 PHE 69 16.040 -0.701 1.899 453 HB3 PHE 69 HB1 PHE 69 16.564 0.249 3.278 454 HD1 PHE 69 HD1 PHE 69 18.959 0.530 3.749 455 HD2 PHE 69 HD2 PHE 69 17.588 -1.515 0.278 456 HE1 PHE 69 HE1 PHE 69 21.186 0.769 2.733 457 HE2 PHE 69 HE2 PHE 69 19.815 -1.285 -0.741 458 HZ PHE 69 HZ PHE 69 21.616 -0.141 0.486 459 H GLY 70 HN GLY 70 15.298 -2.750 1.600 460 HA2 GLY 70 HA2 GLY 70 15.672 -4.423 0.046 461 HA3 GLY 70 HA1 GLY 70 17.219 -4.746 0.810 462 H LEU 71 HN LEU 71 16.232 -5.206 3.422 463 HA LEU 71 HA LEU 71 15.791 -7.927 3.446 464 HB2 LEU 71 HB2 LEU 71 16.534 -6.598 5.376 465 HB3 LEU 71 HB1 LEU 71 14.938 -5.891 5.506 466 HG LEU 71 HG LEU 71 14.046 -8.204 5.946 467 HD11 LEU 71 HD11 LEU 71 16.974 -8.856 6.205 468 HD12 LEU 71 HD12 LEU 71 15.867 -9.490 4.988 469 HD13 LEU 71 HD13 LEU 71 15.641 -9.903 6.687 470 HD21 LEU 71 HD21 LEU 71 14.813 -8.240 8.276 471 HD22 LEU 71 HD22 LEU 71 14.383 -6.615 7.743 472 HD23 LEU 71 HD23 LEU 71 16.079 -7.085 7.867 473 H LYS 72 HN LYS 72 13.361 -5.358 3.850 474 HA LYS 72 HA LYS 72 11.303 -7.210 2.895 475 HB2 LYS 72 HB2 LYS 72 11.163 -5.598 5.444 476 HB3 LYS 72 HB1 LYS 72 9.757 -6.314 4.673 477 HG2 LYS 72 HG2 LYS 72 12.140 -7.891 5.612 478 HG3 LYS 72 HG1 LYS 72 10.688 -7.623 6.576 479 HD2 LYS 72 HD2 LYS 72 9.344 -8.718 4.851 480 HD3 LYS 72 HD1 LYS 72 10.797 -8.984 3.885 481 HE2 LYS 72 HE2 LYS 72 11.718 -10.430 5.560 482 HE3 LYS 72 HE1 LYS 72 10.405 -10.050 6.675 483 HZ1 LYS 72 HZ1 LYS 72 8.858 -11.098 5.143 484 HZ2 LYS 72 HZ2 LYS 72 10.060 -12.185 5.619 485 HZ3 LYS 72 HZ3 LYS 72 10.122 -11.475 4.086 486 H ALA 73 HN ALA 73 12.351 -5.314 1.281 487 HA ALA 73 HA ALA 73 10.060 -3.726 0.703 488 HB1 ALA 73 HB1 ALA 73 12.540 -2.248 1.579 489 HB2 ALA 73 HB2 ALA 73 11.008 -2.312 2.450 490 HB3 ALA 73 HB3 ALA 73 11.096 -1.518 0.878 491 H THR 74 HN THR 74 10.231 -2.582 -1.290 492 HA THR 74 HA THR 74 10.961 -2.102 -3.378 493 HB THR 74 HB THR 74 13.691 -3.061 -2.504 494 HG1 THR 74 HG1 THR 74 12.545 -0.442 -2.449 495 HG21 THR 74 HG21 THR 74 14.516 -1.640 -4.301 496 HG22 THR 74 HG22 THR 74 12.866 -1.174 -4.714 497 HG23 THR 74 HG23 THR 74 13.394 -2.840 -4.943 498 H ARG 75 HN ARG 75 10.416 -3.236 -5.097 499 HA ARG 75 HA ARG 75 10.573 -6.106 -5.130 500 HB2 ARG 75 HB2 ARG 75 9.735 -4.148 -7.277 501 HB3 ARG 75 HB1 ARG 75 9.524 -5.893 -7.357 502 HG2 ARG 75 HG2 ARG 75 7.988 -5.858 -5.530 503 HG3 ARG 75 HG1 ARG 75 8.315 -4.153 -5.223 504 HD2 ARG 75 HD2 ARG 75 6.217 -4.375 -6.388 505 HD3 ARG 75 HD1 ARG 75 7.401 -3.611 -7.445 506 HE ARG 75 HE ARG 75 7.346 -6.422 -7.837 507 HH11 ARG 75 HH11 ARG 75 5.588 -3.486 -8.558 508 HH12 ARG 75 HH12 ARG 75 4.852 -4.131 -9.992 509 HH21 ARG 75 HH21 ARG 75 6.387 -7.272 -9.714 510 HH22 ARG 75 HH22 ARG 75 5.299 -6.289 -10.647 511 H ARG 76 HN ARG 76 13.056 -5.297 -4.805 512 HA ARG 76 HA ARG 76 14.427 -5.343 -7.395 513 HB2 ARG 76 HB2 ARG 76 15.140 -3.581 -5.917 514 HB3 ARG 76 HB1 ARG 76 15.317 -4.702 -4.579 515 HG2 ARG 76 HG2 ARG 76 17.483 -4.157 -5.317 516 HG3 ARG 76 HG1 ARG 76 17.161 -5.798 -5.873 517 HD2 ARG 76 HD2 ARG 76 16.675 -4.976 -8.100 518 HD3 ARG 76 HD1 ARG 76 16.885 -3.311 -7.555 519 HE ARG 76 HE ARG 76 19.187 -4.941 -7.064 520 HH11 ARG 76 HH11 ARG 76 17.549 -3.013 -9.483 521 HH12 ARG 76 HH12 ARG 76 18.998 -2.682 -10.378 522 HH21 ARG 76 HH21 ARG 76 21.094 -4.489 -8.242 523 HH22 ARG 76 HH22 ARG 76 21.002 -3.521 -9.678 524 H SER 77 HN SER 77 13.560 -7.258 -4.731 525 HA SER 77 HA SER 77 15.803 -9.023 -4.724 526 HB2 SER 77 HB2 SER 77 14.196 -10.367 -3.213 527 HB3 SER 77 HB1 SER 77 14.736 -8.783 -2.653 528 HG SER 77 HG SER 77 12.248 -9.449 -3.856 529 H ARG 78 HN ARG 78 15.462 -9.300 -7.200 530 HA ARG 78 HA ARG 78 13.863 -11.749 -7.555 531 HB2 ARG 78 HB2 ARG 78 13.949 -11.331 -9.967 532 HB3 ARG 78 HB1 ARG 78 13.213 -9.988 -9.106 533 HG2 ARG 78 HG2 ARG 78 15.158 -8.652 -9.362 534 HG3 ARG 78 HG1 ARG 78 16.093 -10.021 -9.964 535 HD2 ARG 78 HD2 ARG 78 13.691 -8.819 -11.338 536 HD3 ARG 78 HD1 ARG 78 15.371 -8.496 -11.766 537 HE ARG 78 HE ARG 78 14.829 -11.284 -11.779 538 HH11 ARG 78 HH11 ARG 78 14.293 -8.376 -13.650 539 HH12 ARG 78 HH12 ARG 78 14.267 -9.208 -15.171 540 HH21 ARG 78 HH21 ARG 78 14.777 -12.385 -13.766 541 HH22 ARG 78 HH22 ARG 78 14.539 -11.494 -15.235 542 H LYS 79 HN LYS 79 16.973 -10.559 -7.190 543 HA LYS 79 HA LYS 79 18.083 -13.154 -7.962 544 HB2 LYS 79 HB2 LYS 79 19.218 -10.468 -8.762 545 HB3 LYS 79 HB1 LYS 79 20.124 -11.970 -8.846 546 HG2 LYS 79 HG2 LYS 79 18.489 -12.860 -10.436 547 HG3 LYS 79 HG1 LYS 79 17.600 -11.339 -10.362 548 HD2 LYS 79 HD2 LYS 79 19.540 -10.149 -11.233 549 HD3 LYS 79 HD1 LYS 79 20.460 -11.654 -11.270 550 HE2 LYS 79 HE2 LYS 79 18.838 -12.577 -12.875 551 HE3 LYS 79 HE1 LYS 79 17.970 -11.043 -12.859 552 HZ1 LYS 79 HZ1 LYS 79 19.928 -9.956 -13.745 553 HZ2 LYS 79 HZ2 LYS 79 19.457 -11.222 -14.760 554 HZ3 LYS 79 HZ3 LYS 79 20.784 -11.414 -13.732 555 H ALA 80 HN ALA 80 17.341 -12.047 -5.412 556 HA ALA 80 HA ALA 80 19.863 -11.264 -4.166 557 HB1 ALA 80 HB1 ALA 80 18.513 -10.741 -2.204 558 HB2 ALA 80 HB2 ALA 80 17.083 -11.395 -3.003 559 HB3 ALA 80 HB3 ALA 80 17.867 -9.950 -3.643 560 H GLU 81 HN GLU 81 20.702 -12.340 -2.338 561 HA GLU 81 HA GLU 81 20.149 -15.210 -2.298 562 HB2 GLU 81 HB2 GLU 81 22.375 -13.576 -1.063 563 HB3 GLU 81 HB1 GLU 81 22.229 -15.320 -0.923 564 HG2 GLU 81 HG2 GLU 81 22.522 -13.832 -3.520 565 HG3 GLU 81 HG1 GLU 81 23.846 -14.591 -2.638 566 H ARG 82 HN ARG 82 18.024 -14.494 -1.250 567 HA ARG 82 HA ARG 82 18.282 -13.726 1.553 568 HB2 ARG 82 HB2 ARG 82 15.799 -14.169 -0.114 569 HB3 ARG 82 HB1 ARG 82 15.854 -13.471 1.498 570 HG2 ARG 82 HG2 ARG 82 17.006 -11.539 0.699 571 HG3 ARG 82 HG1 ARG 82 17.210 -12.264 -0.898 572 HD2 ARG 82 HD2 ARG 82 14.596 -11.512 0.400 573 HD3 ARG 82 HD1 ARG 82 15.397 -10.640 -0.908 574 HE ARG 82 HE ARG 82 15.102 -13.154 -1.897 575 HH11 ARG 82 HH11 ARG 82 12.908 -10.793 -0.532 576 HH12 ARG 82 HH12 ARG 82 11.531 -11.377 -1.416 577 HH21 ARG 82 HH21 ARG 82 13.297 -13.922 -3.062 578 HH22 ARG 82 HH22 ARG 82 11.753 -13.155 -2.858 579 H ALA 83 HN ALA 83 19.395 -16.032 1.540 580 HA ALA 83 HA ALA 83 17.505 -18.212 1.782 581 HB1 ALA 83 HB1 ALA 83 20.477 -18.164 2.289 582 HB2 ALA 83 HB2 ALA 83 19.699 -18.602 0.770 583 HB3 ALA 83 HB3 ALA 83 19.460 -19.601 2.202 584 H LYS 84 HN LYS 84 19.771 -16.491 3.916 585 HA LYS 84 HA LYS 84 18.612 -17.842 6.224 586 HB2 LYS 84 HB2 LYS 84 20.915 -15.886 6.076 587 HB3 LYS 84 HB1 LYS 84 20.426 -16.791 7.501 588 HG2 LYS 84 HG2 LYS 84 21.466 -17.980 4.935 589 HG3 LYS 84 HG1 LYS 84 22.380 -17.781 6.430 590 HD2 LYS 84 HD2 LYS 84 19.866 -19.434 6.179 591 HD3 LYS 84 HD1 LYS 84 21.498 -20.087 6.068 592 HE2 LYS 84 HE2 LYS 84 20.355 -18.630 8.449 593 HE3 LYS 84 HE1 LYS 84 20.526 -20.378 8.307 594 HZ1 LYS 84 HZ1 LYS 84 22.342 -19.433 9.570 595 HZ2 LYS 84 HZ2 LYS 84 22.747 -18.409 8.292 596 HZ3 LYS 84 HZ3 LYS 84 22.926 -20.080 8.121 597 H LEU 85 HN LEU 85 16.622 -16.944 6.489 598 HA LEU 85 HA LEU 85 16.552 -14.057 7.049 599 HB2 LEU 85 HB2 LEU 85 14.372 -15.859 5.993 600 HB3 LEU 85 HB1 LEU 85 14.120 -14.198 6.492 601 HG LEU 85 HG LEU 85 15.929 -15.065 4.235 602 HD11 LEU 85 HD11 LEU 85 13.602 -15.474 3.692 603 HD12 LEU 85 HD12 LEU 85 14.209 -14.090 2.783 604 HD13 LEU 85 HD13 LEU 85 13.178 -13.837 4.190 605 HD21 LEU 85 HD21 LEU 85 15.981 -12.676 3.689 606 HD22 LEU 85 HD22 LEU 85 16.659 -12.991 5.286 607 HD23 LEU 85 HD23 LEU 85 15.032 -12.328 5.133 Start of MODEL 7 1 H1 GLY 11 HT1 GLY 11 -29.056 -1.497 11.176 2 H2 GLY 11 HT2 GLY 11 -28.371 -1.443 12.719 3 H3 GLY 11 HT3 GLY 11 -28.966 -2.902 12.112 4 HA2 GLY 11 HA1 GLY 11 -26.568 -2.880 12.000 5 HA3 GLY 11 HA2 GLY 11 -27.279 -2.916 10.392 6 H ARG 12 HN ARG 12 -25.159 -2.082 9.739 7 HA ARG 12 HA ARG 12 -25.151 0.847 9.889 8 HB2 ARG 12 HB2 ARG 12 -22.745 0.903 10.162 9 HB3 ARG 12 HB1 ARG 12 -23.448 -0.045 11.464 10 HG2 ARG 12 HG2 ARG 12 -22.860 -2.102 10.218 11 HG3 ARG 12 HG1 ARG 12 -22.047 -1.096 9.018 12 HD2 ARG 12 HD2 ARG 12 -21.370 -1.254 11.949 13 HD3 ARG 12 HD1 ARG 12 -20.471 -2.017 10.640 14 HE ARG 12 HE ARG 12 -20.526 0.640 9.986 15 HH11 ARG 12 HH11 ARG 12 -19.460 -1.200 12.768 16 HH12 ARG 12 HH12 ARG 12 -18.205 -0.077 13.188 17 HH21 ARG 12 HH21 ARG 12 -18.867 2.113 10.528 18 HH22 ARG 12 HH22 ARG 12 -17.865 1.804 11.911 19 HA PRO 13 HA PRO 13 -24.538 0.431 5.513 20 HB2 PRO 13 HB2 PRO 13 -23.564 2.867 4.917 21 HB3 PRO 13 HB1 PRO 13 -25.248 2.614 5.383 22 HG2 PRO 13 HG2 PRO 13 -22.969 3.678 6.969 23 HG3 PRO 13 HG1 PRO 13 -24.675 4.149 6.997 24 HD2 PRO 13 HD2 PRO 13 -23.442 2.496 8.835 25 HD3 PRO 13 HD1 PRO 13 -25.189 2.570 8.549 26 H GLY 14 HN GLY 14 -22.446 -0.694 7.103 27 HA2 GLY 14 HA2 GLY 14 -19.943 0.378 6.063 28 HA3 GLY 14 HA1 GLY 14 -20.111 -0.877 7.282 29 H VAL 15 HN VAL 15 -21.902 -1.009 4.322 30 HA VAL 15 HA VAL 15 -20.616 -3.496 3.615 31 HB VAL 15 HB VAL 15 -22.258 -3.616 1.804 32 HG11 VAL 15 HG11 VAL 15 -22.924 -4.423 3.981 33 HG12 VAL 15 HG12 VAL 15 -24.300 -3.660 3.185 34 HG13 VAL 15 HG13 VAL 15 -23.431 -2.804 4.458 35 HG21 VAL 15 HG21 VAL 15 -23.117 -0.880 2.742 36 HG22 VAL 15 HG22 VAL 15 -23.981 -1.874 1.570 37 HG23 VAL 15 HG23 VAL 15 -22.368 -1.268 1.193 38 H PHE 16 HN PHE 16 -20.362 -0.188 2.808 39 HA PHE 16 HA PHE 16 -18.105 -0.573 1.140 40 HB2 PHE 16 HB2 PHE 16 -19.840 -1.195 -0.500 41 HB3 PHE 16 HB1 PHE 16 -20.655 0.339 -0.222 42 HD1 PHE 16 HD2 PHE 16 -17.220 -0.851 -1.096 43 HD2 PHE 16 HD1 PHE 16 -20.347 1.944 -1.815 44 HE1 PHE 16 HE2 PHE 16 -15.882 0.184 -2.883 45 HE2 PHE 16 HE1 PHE 16 -19.017 2.981 -3.601 46 HZ PHE 16 HZ PHE 16 -16.782 2.103 -4.138 47 H ARG 17 HN ARG 17 -17.402 0.849 2.825 48 HA ARG 17 HA ARG 17 -18.418 3.582 2.625 49 HB2 ARG 17 HB2 ARG 17 -16.700 2.237 4.702 50 HB3 ARG 17 HB1 ARG 17 -17.019 3.965 4.688 51 HG2 ARG 17 HG2 ARG 17 -19.054 1.769 4.990 52 HG3 ARG 17 HG1 ARG 17 -18.494 2.874 6.247 53 HD2 ARG 17 HD2 ARG 17 -20.095 3.539 3.784 54 HD3 ARG 17 HD1 ARG 17 -20.606 3.665 5.466 55 HE ARG 17 HE ARG 17 -18.873 5.443 5.681 56 HH11 ARG 17 HH11 ARG 17 -20.311 4.719 2.566 57 HH12 ARG 17 HH12 ARG 17 -19.926 6.265 1.882 58 HH21 ARG 17 HH21 ARG 17 -18.379 7.492 4.784 59 HH22 ARG 17 HH22 ARG 17 -18.830 7.842 3.143 60 H THR 18 HN THR 18 -17.461 4.581 0.983 61 HA THR 18 HA THR 18 -14.667 4.293 0.421 62 HB THR 18 HB THR 18 -15.228 6.414 -1.024 63 HG1 THR 18 HG1 THR 18 -17.490 6.473 -1.517 64 HG21 THR 18 HG21 THR 18 -14.780 4.195 -1.942 65 HG22 THR 18 HG22 THR 18 -16.115 4.970 -2.795 66 HG23 THR 18 HG23 THR 18 -16.442 3.711 -1.605 67 H ARG 19 HN ARG 19 -13.290 5.051 1.938 68 HA ARG 19 HA ARG 19 -13.777 7.430 3.455 69 HB2 ARG 19 HB2 ARG 19 -11.272 5.796 3.040 70 HB3 ARG 19 HB1 ARG 19 -11.360 7.185 4.110 71 HG2 ARG 19 HG2 ARG 19 -13.108 6.016 5.410 72 HG3 ARG 19 HG1 ARG 19 -12.877 4.602 4.377 73 HD2 ARG 19 HD2 ARG 19 -11.593 4.391 6.447 74 HD3 ARG 19 HD1 ARG 19 -10.524 4.493 5.043 75 HE ARG 19 HE ARG 19 -10.964 7.062 6.158 76 HH11 ARG 19 HH11 ARG 19 -9.258 4.076 6.797 77 HH12 ARG 19 HH12 ARG 19 -7.927 4.856 7.603 78 HH21 ARG 19 HH21 ARG 19 -9.231 8.090 7.215 79 HH22 ARG 19 HH22 ARG 19 -7.919 7.143 7.838 80 H GLY 20 HN GLY 20 -14.252 8.441 1.149 81 HA2 GLY 20 HA2 GLY 20 -13.660 9.957 -0.468 82 HA3 GLY 20 HA1 GLY 20 -12.271 10.344 0.541 83 H LEU 21 HN LEU 21 -13.040 7.218 -0.887 84 HA LEU 21 HA LEU 21 -10.402 6.862 -1.831 85 HB2 LEU 21 HB2 LEU 21 -12.818 5.285 -1.730 86 HB3 LEU 21 HB1 LEU 21 -12.056 5.125 -3.301 87 HG LEU 21 HG LEU 21 -9.903 4.659 -1.972 88 HD11 LEU 21 HD11 LEU 21 -10.241 3.626 0.197 89 HD12 LEU 21 HD12 LEU 21 -11.934 4.123 0.160 90 HD13 LEU 21 HD13 LEU 21 -10.655 5.339 0.191 91 HD21 LEU 21 HD21 LEU 21 -12.200 2.764 -2.220 92 HD22 LEU 21 HD22 LEU 21 -10.597 2.254 -1.691 93 HD23 LEU 21 HD23 LEU 21 -10.813 2.966 -3.291 94 H THR 22 HN THR 22 -9.574 8.062 -3.375 95 HA THR 22 HA THR 22 -11.053 9.248 -5.469 96 HB THR 22 HB THR 22 -8.812 9.648 -6.511 97 HG1 THR 22 HG1 THR 22 -7.175 9.043 -4.586 98 HG21 THR 22 HG21 THR 22 -9.738 11.258 -4.919 99 HG22 THR 22 HG22 THR 22 -7.986 11.147 -4.743 100 HG23 THR 22 HG23 THR 22 -9.043 10.348 -3.578 101 H ASP 23 HN ASP 23 -10.089 8.803 -7.822 102 HA ASP 23 HA ASP 23 -10.947 6.202 -8.540 103 HB2 ASP 23 HB2 ASP 23 -9.426 8.278 -10.136 104 HB3 ASP 23 HB1 ASP 23 -10.108 6.808 -10.812 105 H GLU 24 HN GLU 24 -8.000 7.421 -7.388 106 HA GLU 24 HA GLU 24 -6.335 5.375 -8.570 107 HB2 GLU 24 HB2 GLU 24 -5.728 7.298 -6.309 108 HB3 GLU 24 HB1 GLU 24 -4.555 6.323 -7.180 109 HG2 GLU 24 HG2 GLU 24 -6.191 8.595 -8.269 110 HG3 GLU 24 HG1 GLU 24 -4.454 8.576 -7.971 111 H GLU 25 HN GLU 25 -7.328 6.207 -5.237 112 HA GLU 25 HA GLU 25 -6.418 3.880 -3.987 113 HB2 GLU 25 HB2 GLU 25 -8.922 5.380 -3.232 114 HB3 GLU 25 HB1 GLU 25 -7.925 4.395 -2.182 115 HG2 GLU 25 HG2 GLU 25 -6.968 6.917 -3.499 116 HG3 GLU 25 HG1 GLU 25 -7.674 6.848 -1.884 117 H TYR 26 HN TYR 26 -9.464 4.597 -5.594 118 HA TYR 26 HA TYR 26 -10.700 2.135 -4.922 119 HB2 TYR 26 HB2 TYR 26 -11.933 4.212 -5.608 120 HB3 TYR 26 HB1 TYR 26 -11.372 3.926 -7.249 121 HD1 TYR 26 HD1 TYR 26 -13.381 2.461 -4.509 122 HD2 TYR 26 HD2 TYR 26 -12.460 2.384 -8.660 123 HE1 TYR 26 HE1 TYR 26 -15.236 0.916 -4.884 124 HE2 TYR 26 HE2 TYR 26 -14.311 0.839 -9.052 125 HH TYR 26 HH TYR 26 -16.711 0.207 -6.731 126 H ASP 27 HN ASP 27 -8.695 3.196 -7.612 127 HA ASP 27 HA ASP 27 -9.201 0.916 -9.241 128 HB2 ASP 27 HB2 ASP 27 -8.193 3.076 -10.080 129 HB3 ASP 27 HB1 ASP 27 -6.709 2.644 -9.238 130 H GLU 28 HN GLU 28 -6.699 1.781 -6.901 131 HA GLU 28 HA GLU 28 -5.193 -0.567 -6.928 132 HB2 GLU 28 HB2 GLU 28 -4.517 1.456 -5.751 133 HB3 GLU 28 HB1 GLU 28 -5.899 1.325 -4.679 134 HG2 GLU 28 HG2 GLU 28 -3.917 0.629 -3.549 135 HG3 GLU 28 HG1 GLU 28 -4.984 -0.752 -3.770 136 H PHE 29 HN PHE 29 -8.000 0.372 -5.015 137 HA PHE 29 HA PHE 29 -8.433 -1.969 -3.590 138 HB2 PHE 29 HB2 PHE 29 -9.616 0.074 -3.081 139 HB3 PHE 29 HB1 PHE 29 -10.373 0.089 -4.666 140 HD1 PHE 29 HD1 PHE 29 -10.029 -2.415 -1.930 141 HD2 PHE 29 HD2 PHE 29 -12.614 -0.313 -4.565 142 HE1 PHE 29 HE1 PHE 29 -11.949 -3.620 -0.994 143 HE2 PHE 29 HE2 PHE 29 -14.544 -1.524 -3.640 144 HZ PHE 29 HZ PHE 29 -14.202 -3.183 -1.851 145 H LYS 30 HN LYS 30 -9.546 -1.087 -6.861 146 HA LYS 30 HA LYS 30 -11.095 -3.406 -7.290 147 HB2 LYS 30 HB2 LYS 30 -9.639 -1.673 -9.293 148 HB3 LYS 30 HB1 LYS 30 -10.780 -2.934 -9.726 149 HG2 LYS 30 HG2 LYS 30 -12.467 -1.644 -8.314 150 HG3 LYS 30 HG1 LYS 30 -11.305 -0.321 -8.357 151 HD2 LYS 30 HD2 LYS 30 -12.520 -1.686 -10.760 152 HD3 LYS 30 HD1 LYS 30 -12.968 -0.098 -10.139 153 HE2 LYS 30 HE2 LYS 30 -10.888 0.833 -10.722 154 HE3 LYS 30 HE1 LYS 30 -10.164 -0.750 -10.971 155 HZ1 LYS 30 HZ1 LYS 30 -11.591 -1.062 -12.892 156 HZ2 LYS 30 HZ2 LYS 30 -10.651 0.330 -13.067 157 HZ3 LYS 30 HZ3 LYS 30 -12.284 0.463 -12.654 158 H LYS 31 HN LYS 31 -7.712 -2.671 -8.109 159 HA LYS 31 HA LYS 31 -7.084 -5.104 -9.336 160 HB2 LYS 31 HB2 LYS 31 -5.337 -3.240 -7.725 161 HB3 LYS 31 HB1 LYS 31 -4.726 -4.593 -8.667 162 HG2 LYS 31 HG2 LYS 31 -5.637 -3.574 -10.686 163 HG3 LYS 31 HG1 LYS 31 -6.210 -2.213 -9.722 164 HD2 LYS 31 HD2 LYS 31 -3.832 -1.862 -8.997 165 HD3 LYS 31 HD1 LYS 31 -3.365 -3.059 -10.209 166 HE2 LYS 31 HE2 LYS 31 -4.354 -1.712 -11.958 167 HE3 LYS 31 HE1 LYS 31 -4.925 -0.559 -10.757 168 HZ1 LYS 31 HZ1 LYS 31 -2.079 -1.158 -11.356 169 HZ2 LYS 31 HZ2 LYS 31 -2.631 -0.043 -10.211 170 HZ3 LYS 31 HZ3 LYS 31 -2.920 0.222 -11.855 171 H ARG 32 HN ARG 32 -6.928 -4.093 -5.982 172 HA ARG 32 HA ARG 32 -5.935 -6.491 -4.915 173 HB2 ARG 32 HB2 ARG 32 -7.513 -4.240 -3.743 174 HB3 ARG 32 HB1 ARG 32 -6.929 -5.575 -2.771 175 HG2 ARG 32 HG2 ARG 32 -4.639 -5.034 -3.411 176 HG3 ARG 32 HG1 ARG 32 -5.232 -3.694 -4.392 177 HD2 ARG 32 HD2 ARG 32 -6.197 -2.686 -2.367 178 HD3 ARG 32 HD1 ARG 32 -5.501 -3.994 -1.410 179 HE ARG 32 HE ARG 32 -3.670 -2.439 -3.061 180 HH11 ARG 32 HH11 ARG 32 -5.038 -3.034 0.109 181 HH12 ARG 32 HH12 ARG 32 -3.736 -2.249 0.961 182 HH21 ARG 32 HH21 ARG 32 -1.983 -1.375 -1.944 183 HH22 ARG 32 HH22 ARG 32 -2.018 -1.289 -0.212 184 H ARG 33 HN ARG 33 -9.248 -5.262 -5.229 185 HA ARG 33 HA ARG 33 -10.504 -7.497 -4.061 186 HB2 ARG 33 HB2 ARG 33 -11.634 -5.372 -4.228 187 HB3 ARG 33 HB1 ARG 33 -11.555 -5.414 -5.978 188 HG2 ARG 33 HG2 ARG 33 -13.212 -7.022 -6.138 189 HG3 ARG 33 HG1 ARG 33 -12.994 -7.557 -4.470 190 HD2 ARG 33 HD2 ARG 33 -13.991 -5.587 -3.619 191 HD3 ARG 33 HD1 ARG 33 -13.990 -4.809 -5.198 192 HE ARG 33 HE ARG 33 -15.577 -6.760 -5.782 193 HH11 ARG 33 HH11 ARG 33 -15.397 -5.202 -2.655 194 HH12 ARG 33 HH12 ARG 33 -17.085 -5.406 -2.312 195 HH21 ARG 33 HH21 ARG 33 -17.798 -7.063 -5.323 196 HH22 ARG 33 HH22 ARG 33 -18.449 -6.479 -3.824 197 H GLU 34 HN GLU 34 -9.500 -6.812 -7.342 198 HA GLU 34 HA GLU 34 -10.739 -8.994 -8.616 199 HB2 GLU 34 HB2 GLU 34 -9.496 -6.975 -9.637 200 HB3 GLU 34 HB1 GLU 34 -8.031 -7.906 -9.369 201 HG2 GLU 34 HG2 GLU 34 -8.789 -8.169 -11.640 202 HG3 GLU 34 HG1 GLU 34 -8.926 -9.700 -10.773 203 H SER 35 HN SER 35 -7.640 -8.633 -6.970 204 HA SER 35 HA SER 35 -6.613 -11.196 -7.488 205 HB2 SER 35 HB2 SER 35 -5.253 -9.305 -6.658 206 HB3 SER 35 HB1 SER 35 -6.090 -9.393 -5.111 207 HG SER 35 HG SER 35 -4.189 -11.122 -6.223 208 H ARG 36 HN ARG 36 -8.840 -10.003 -5.060 209 HA ARG 36 HA ARG 36 -8.832 -12.527 -3.617 210 HB2 ARG 36 HB2 ARG 36 -10.178 -9.891 -3.219 211 HB3 ARG 36 HB1 ARG 36 -10.771 -11.294 -2.367 212 HG2 ARG 36 HG2 ARG 36 -9.345 -10.459 -0.800 213 HG3 ARG 36 HG1 ARG 36 -8.231 -11.514 -1.674 214 HD2 ARG 36 HD2 ARG 36 -7.560 -9.573 -3.045 215 HD3 ARG 36 HD1 ARG 36 -8.606 -8.558 -2.065 216 HE ARG 36 HE ARG 36 -7.053 -9.556 -0.181 217 HH11 ARG 36 HH11 ARG 36 -6.166 -8.384 -3.361 218 HH12 ARG 36 HH12 ARG 36 -4.614 -7.794 -2.855 219 HH21 ARG 36 HH21 ARG 36 -5.014 -8.775 0.488 220 HH22 ARG 36 HH22 ARG 36 -3.967 -8.006 -0.663 221 H GLY 37 HN GLY 37 -10.045 -11.734 -6.471 222 HA2 GLY 37 HA2 GLY 37 -11.639 -12.712 -7.804 223 HA3 GLY 37 HA1 GLY 37 -11.925 -13.855 -6.500 224 H GLY 38 HN GLY 38 -12.246 -10.428 -5.998 225 HA2 GLY 38 HA2 GLY 38 -14.214 -9.126 -6.005 226 HA3 GLY 38 HA1 GLY 38 -15.160 -10.588 -6.216 227 H LYS 39 HN LYS 39 -13.343 -11.744 -4.006 228 HA LYS 39 HA LYS 39 -15.148 -11.047 -1.861 229 HB2 LYS 39 HB2 LYS 39 -12.855 -12.997 -1.924 230 HB3 LYS 39 HB1 LYS 39 -14.032 -12.832 -0.624 231 HG2 LYS 39 HG2 LYS 39 -15.738 -13.196 -2.600 232 HG3 LYS 39 HG1 LYS 39 -14.344 -13.996 -3.328 233 HD2 LYS 39 HD2 LYS 39 -14.135 -15.440 -1.386 234 HD3 LYS 39 HD1 LYS 39 -15.484 -14.603 -0.616 235 HE2 LYS 39 HE2 LYS 39 -16.968 -15.339 -2.414 236 HE3 LYS 39 HE1 LYS 39 -15.620 -16.168 -3.188 237 HZ1 LYS 39 HZ1 LYS 39 -16.722 -16.802 -0.506 238 HZ2 LYS 39 HZ2 LYS 39 -15.437 -17.603 -1.258 239 HZ3 LYS 39 HZ3 LYS 39 -16.989 -17.694 -1.918 240 H TYR 40 HN TYR 40 -14.045 -8.794 -2.251 241 HA TYR 40 HA TYR 40 -12.123 -8.436 -0.076 242 HB2 TYR 40 HB2 TYR 40 -10.924 -8.563 -2.300 243 HB3 TYR 40 HB1 TYR 40 -11.783 -7.104 -2.756 244 HD1 TYR 40 HD2 TYR 40 -9.926 -8.222 0.279 245 HD2 TYR 40 HD1 TYR 40 -10.401 -5.258 -2.724 246 HE1 TYR 40 HE2 TYR 40 -8.161 -6.886 1.329 247 HE2 TYR 40 HE1 TYR 40 -8.617 -3.919 -1.693 248 HH TYR 40 HH TYR 40 -6.585 -5.169 0.780 249 H SER 41 HN SER 41 -13.404 -7.268 1.243 250 HA SER 41 HA SER 41 -15.218 -5.316 0.155 251 HB2 SER 41 HB2 SER 41 -14.922 -5.014 2.936 252 HB3 SER 41 HB1 SER 41 -16.291 -5.667 2.055 253 HG SER 41 HG SER 41 -14.708 -6.984 3.666 254 H ILE 42 HN ILE 42 -15.217 -3.084 1.105 255 HA ILE 42 HA ILE 42 -12.742 -1.868 0.484 256 HB ILE 42 HB ILE 42 -15.065 -0.850 0.328 257 HG12 ILE 42 HG12 ILE 42 -13.871 1.407 1.358 258 HG13 ILE 42 HG11 ILE 42 -12.504 0.349 1.028 259 HG21 ILE 42 HG21 ILE 42 -15.799 0.472 2.253 260 HG22 ILE 42 HG22 ILE 42 -14.490 -0.219 3.214 261 HG23 ILE 42 HG23 ILE 42 -15.788 -1.254 2.613 262 HD11 ILE 42 HD11 ILE 42 -14.598 1.184 -0.949 263 HD12 ILE 42 HD12 ILE 42 -13.214 0.136 -1.274 264 HD13 ILE 42 HD13 ILE 42 -12.959 1.821 -0.822 265 H ASP 43 HN ASP 43 -14.183 -2.961 3.476 266 HA ASP 43 HA ASP 43 -12.610 -1.392 5.214 267 HB2 ASP 43 HB2 ASP 43 -14.033 -3.994 5.668 268 HB3 ASP 43 HB1 ASP 43 -13.227 -3.100 6.949 269 H ASP 44 HN ASP 44 -12.096 -4.606 3.821 270 HA ASP 44 HA ASP 44 -9.703 -5.147 5.232 271 HB2 ASP 44 HB2 ASP 44 -11.117 -6.756 3.739 272 HB3 ASP 44 HB1 ASP 44 -10.142 -6.123 2.420 273 H TYR 45 HN TYR 45 -10.467 -3.337 2.343 274 HA TYR 45 HA TYR 45 -7.767 -2.723 1.666 275 HB2 TYR 45 HB2 TYR 45 -9.496 -2.517 -0.038 276 HB3 TYR 45 HB1 TYR 45 -10.353 -1.302 0.919 277 HD1 TYR 45 HD2 TYR 45 -7.190 -1.982 -0.886 278 HD2 TYR 45 HD1 TYR 45 -9.742 0.995 0.762 279 HE1 TYR 45 HE2 TYR 45 -5.797 -0.242 -1.915 280 HE2 TYR 45 HE1 TYR 45 -8.336 2.768 -0.259 281 HH TYR 45 HH TYR 45 -5.827 2.901 -1.012 282 H LEU 46 HN LEU 46 -10.278 -1.150 3.561 283 HA LEU 46 HA LEU 46 -8.912 1.311 3.876 284 HB2 LEU 46 HB2 LEU 46 -11.187 0.100 5.438 285 HB3 LEU 46 HB1 LEU 46 -10.648 1.753 5.598 286 HG LEU 46 HG LEU 46 -11.817 0.525 3.106 287 HD11 LEU 46 HD11 LEU 46 -12.925 2.537 5.057 288 HD12 LEU 46 HD12 LEU 46 -13.467 0.871 4.853 289 HD13 LEU 46 HD13 LEU 46 -13.690 2.038 3.549 290 HD21 LEU 46 HD21 LEU 46 -10.966 3.364 3.644 291 HD22 LEU 46 HD22 LEU 46 -11.774 2.779 2.194 292 HD23 LEU 46 HD23 LEU 46 -10.145 2.226 2.580 293 H ALA 47 HN ALA 47 -8.992 -1.653 5.774 294 HA ALA 47 HA ALA 47 -7.553 -0.600 8.004 295 HB1 ALA 47 HB1 ALA 47 -7.175 -2.934 8.614 296 HB2 ALA 47 HB2 ALA 47 -7.730 -3.454 7.023 297 HB3 ALA 47 HB3 ALA 47 -8.856 -2.684 8.140 298 H ASP 48 HN ASP 48 -6.638 -2.238 5.015 299 HA ASP 48 HA ASP 48 -3.832 -2.160 5.512 300 HB2 ASP 48 HB2 ASP 48 -5.072 -3.646 3.841 301 HB3 ASP 48 HB1 ASP 48 -5.161 -2.230 2.800 302 H ARG 49 HN ARG 49 -6.189 -0.002 4.171 303 HA ARG 49 HA ARG 49 -4.497 1.918 3.005 304 HB2 ARG 49 HB2 ARG 49 -6.996 1.690 2.723 305 HB3 ARG 49 HB1 ARG 49 -7.156 2.474 4.290 306 HG2 ARG 49 HG2 ARG 49 -6.194 4.464 3.501 307 HG3 ARG 49 HG1 ARG 49 -5.642 3.694 2.013 308 HD2 ARG 49 HD2 ARG 49 -8.047 3.284 1.487 309 HD3 ARG 49 HD1 ARG 49 -8.459 4.366 2.819 310 HE ARG 49 HE ARG 49 -6.857 5.166 0.452 311 HH11 ARG 49 HH11 ARG 49 -9.157 5.944 2.984 312 HH12 ARG 49 HH12 ARG 49 -9.421 7.559 2.411 313 HH21 ARG 49 HH21 ARG 49 -7.185 7.285 -0.263 314 HH22 ARG 49 HH22 ARG 49 -8.294 8.326 0.576 315 H GLU 50 HN GLU 50 -5.674 1.417 6.270 316 HA GLU 50 HA GLU 50 -4.637 3.732 7.482 317 HB2 GLU 50 HB2 GLU 50 -5.222 0.959 8.502 318 HB3 GLU 50 HB1 GLU 50 -4.542 2.200 9.549 319 HG2 GLU 50 HG2 GLU 50 -7.124 2.459 8.036 320 HG3 GLU 50 HG1 GLU 50 -6.991 1.981 9.728 321 H ARG 51 HN ARG 51 -3.207 0.752 6.457 322 HA ARG 51 HA ARG 51 -0.723 1.146 7.825 323 HB2 ARG 51 HB2 ARG 51 -1.426 -0.760 5.621 324 HB3 ARG 51 HB1 ARG 51 0.034 -0.804 6.607 325 HG2 ARG 51 HG2 ARG 51 -1.721 -0.846 8.568 326 HG3 ARG 51 HG1 ARG 51 -2.745 -1.524 7.305 327 HD2 ARG 51 HD2 ARG 51 -0.933 -3.156 6.828 328 HD3 ARG 51 HD1 ARG 51 -0.084 -2.523 8.236 329 HE ARG 51 HE ARG 51 -2.787 -3.667 8.485 330 HH11 ARG 51 HH11 ARG 51 0.583 -3.580 9.439 331 HH12 ARG 51 HH12 ARG 51 0.398 -4.792 10.663 332 HH21 ARG 51 HH21 ARG 51 -3.037 -5.244 10.107 333 HH22 ARG 51 HH22 ARG 51 -1.666 -5.731 11.053 334 H GLU 52 HN GLU 52 -2.045 1.797 4.669 335 HA GLU 52 HA GLU 52 0.251 2.078 3.164 336 HB2 GLU 52 HB2 GLU 52 -2.333 3.604 2.951 337 HB3 GLU 52 HB1 GLU 52 -1.048 3.673 1.752 338 HG2 GLU 52 HG2 GLU 52 -1.266 1.186 1.530 339 HG3 GLU 52 HG1 GLU 52 -2.712 1.301 2.527 340 H GLU 53 HN GLU 53 -1.249 4.436 5.324 341 HA GLU 53 HA GLU 53 0.209 6.681 4.577 342 HB2 GLU 53 HB2 GLU 53 -0.832 5.922 7.306 343 HB3 GLU 53 HB1 GLU 53 -0.224 7.515 6.884 344 HG2 GLU 53 HG2 GLU 53 -1.988 7.631 5.120 345 HG3 GLU 53 HG1 GLU 53 -2.649 6.133 5.772 346 H GLU 54 HN GLU 54 1.016 4.254 7.062 347 HA GLU 54 HA GLU 54 3.520 5.499 7.634 348 HB2 GLU 54 HB2 GLU 54 3.989 3.499 9.001 349 HB3 GLU 54 HB1 GLU 54 2.429 4.215 9.377 350 HG2 GLU 54 HG2 GLU 54 1.316 2.501 8.056 351 HG3 GLU 54 HG1 GLU 54 2.878 1.793 7.652 352 H LEU 55 HN LEU 55 2.400 3.123 5.422 353 HA LEU 55 HA LEU 55 4.945 1.937 4.864 354 HB2 LEU 55 HB2 LEU 55 2.406 1.899 3.230 355 HB3 LEU 55 HB1 LEU 55 3.807 0.887 2.950 356 HG LEU 55 HG LEU 55 2.010 0.797 5.375 357 HD11 LEU 55 HD11 LEU 55 1.372 -1.402 4.527 358 HD12 LEU 55 HD12 LEU 55 2.379 -1.146 3.101 359 HD13 LEU 55 HD13 LEU 55 0.969 -0.124 3.380 360 HD21 LEU 55 HD21 LEU 55 3.309 -1.190 5.998 361 HD22 LEU 55 HD22 LEU 55 4.289 0.275 5.998 362 HD23 LEU 55 HD23 LEU 55 4.417 -0.871 4.664 363 H LEU 56 HN LEU 56 3.378 4.807 3.866 364 HA LEU 56 HA LEU 56 4.649 5.108 1.344 365 HB2 LEU 56 HB2 LEU 56 3.499 7.188 3.205 366 HB3 LEU 56 HB1 LEU 56 4.044 7.512 1.573 367 HG LEU 56 HG LEU 56 1.753 5.701 2.336 368 HD11 LEU 56 HD11 LEU 56 1.776 8.421 1.039 369 HD12 LEU 56 HD12 LEU 56 1.247 8.056 2.681 370 HD13 LEU 56 HD13 LEU 56 0.354 7.413 1.304 371 HD21 LEU 56 HD21 LEU 56 2.792 6.519 -0.373 372 HD22 LEU 56 HD22 LEU 56 1.296 5.633 -0.075 373 HD23 LEU 56 HD23 LEU 56 2.848 4.902 0.329 374 H GLU 57 HN GLU 57 5.205 7.254 4.119 375 HA GLU 57 HA GLU 57 8.024 6.809 4.156 376 HB2 GLU 57 HB2 GLU 57 8.644 9.035 3.293 377 HB3 GLU 57 HB1 GLU 57 7.850 8.036 2.084 378 HG2 GLU 57 HG2 GLU 57 5.736 9.231 2.535 379 HG3 GLU 57 HG1 GLU 57 6.615 10.297 3.630 380 H ARG 58 HN ARG 58 6.252 6.716 6.273 381 HA ARG 58 HA ARG 58 6.556 9.333 7.557 382 HB2 ARG 58 HB2 ARG 58 4.685 7.074 8.255 383 HB3 ARG 58 HB1 ARG 58 4.804 8.591 9.131 384 HG2 ARG 58 HG2 ARG 58 4.007 8.342 6.238 385 HG3 ARG 58 HG1 ARG 58 2.879 8.480 7.584 386 HD2 ARG 58 HD2 ARG 58 3.070 10.650 6.693 387 HD3 ARG 58 HD1 ARG 58 4.046 10.657 8.158 388 HE ARG 58 HE ARG 58 5.891 10.114 6.300 389 HH11 ARG 58 HH11 ARG 58 3.361 12.533 6.363 390 HH12 ARG 58 HH12 ARG 58 4.253 13.662 5.393 391 HH21 ARG 58 HH21 ARG 58 7.065 11.606 5.046 392 HH22 ARG 58 HH22 ARG 58 6.354 13.140 4.649 393 H ASP 59 HN ASP 59 8.586 9.231 8.312 394 HA ASP 59 HA ASP 59 9.545 7.085 9.949 395 HB2 ASP 59 HB2 ASP 59 11.500 8.337 10.206 396 HB3 ASP 59 HB1 ASP 59 10.910 8.861 8.633 397 H GLU 60 HN GLU 60 7.435 9.672 10.338 398 HA GLU 60 HA GLU 60 7.558 10.200 13.103 399 HB2 GLU 60 HB2 GLU 60 5.074 10.144 11.381 400 HB3 GLU 60 HB1 GLU 60 5.321 11.069 12.852 401 HG2 GLU 60 HG2 GLU 60 6.900 11.508 10.339 402 HG3 GLU 60 HG1 GLU 60 5.409 12.367 10.715 403 H GLU 61 HN GLU 61 6.406 7.529 11.265 404 HA GLU 61 HA GLU 61 4.544 6.614 13.276 405 HB2 GLU 61 HB2 GLU 61 5.307 5.708 10.515 406 HB3 GLU 61 HB1 GLU 61 4.345 4.670 11.567 407 HG2 GLU 61 HG2 GLU 61 3.612 7.475 10.752 408 HG3 GLU 61 HG1 GLU 61 2.983 6.004 10.015 409 H GLU 62 HN GLU 62 7.139 4.861 11.548 410 HA GLU 62 HA GLU 62 8.204 3.847 14.026 411 HB2 GLU 62 HB2 GLU 62 6.053 2.483 13.127 412 HB3 GLU 62 HB1 GLU 62 7.318 1.665 12.220 413 HG2 GLU 62 HG2 GLU 62 8.466 1.094 14.270 414 HG3 GLU 62 HG1 GLU 62 7.289 2.003 15.211 415 H ALA 63 HN ALA 63 9.334 1.463 12.609 416 HA ALA 63 HA ALA 63 11.642 2.853 11.624 417 HB1 ALA 63 HB1 ALA 63 11.831 0.857 13.044 418 HB2 ALA 63 HB2 ALA 63 12.691 0.682 11.515 419 HB3 ALA 63 HB3 ALA 63 11.136 -0.113 11.745 420 H ILE 64 HN ILE 64 9.805 3.595 9.889 421 HA ILE 64 HA ILE 64 9.972 1.912 7.516 422 HB ILE 64 HB ILE 64 8.721 4.639 7.907 423 HG12 ILE 64 HG12 ILE 64 6.647 3.011 7.438 424 HG13 ILE 64 HG11 ILE 64 7.740 1.850 8.181 425 HG21 ILE 64 HG21 ILE 64 9.382 4.319 5.597 426 HG22 ILE 64 HG22 ILE 64 7.626 4.254 5.752 427 HG23 ILE 64 HG23 ILE 64 8.550 2.764 5.555 428 HD11 ILE 64 HD11 ILE 64 7.928 3.293 10.145 429 HD12 ILE 64 HD12 ILE 64 6.261 2.804 9.829 430 HD13 ILE 64 HD13 ILE 64 6.798 4.428 9.404 431 H PHE 65 HN PHE 65 11.558 4.475 9.047 432 HA PHE 65 HA PHE 65 12.904 5.480 6.688 433 HB2 PHE 65 HB2 PHE 65 14.001 7.018 8.290 434 HB3 PHE 65 HB1 PHE 65 12.244 7.048 8.449 435 HD1 PHE 65 HD2 PHE 65 11.192 5.681 10.291 436 HD2 PHE 65 HD1 PHE 65 15.353 6.554 10.153 437 HE1 PHE 65 HE2 PHE 65 11.367 5.176 12.687 438 HE2 PHE 65 HE1 PHE 65 15.542 6.051 12.554 439 HZ PHE 65 HZ PHE 65 13.549 5.364 13.828 440 H GLY 66 HN GLY 66 13.207 2.748 8.351 441 HA2 GLY 66 HA2 GLY 66 14.924 1.181 8.327 442 HA3 GLY 66 HA1 GLY 66 16.016 2.426 7.733 443 H ASP 67 HN ASP 67 17.387 1.248 9.365 444 HA ASP 67 HA ASP 67 18.687 1.447 11.203 445 HB2 ASP 67 HB2 ASP 67 18.364 3.894 10.940 446 HB3 ASP 67 HB1 ASP 67 16.951 3.796 11.983 447 H GLY 68 HN GLY 68 15.342 2.158 12.190 448 HA2 GLY 68 HA2 GLY 68 14.359 0.031 13.307 449 HA3 GLY 68 HA1 GLY 68 15.668 0.304 14.451 450 H PHE 69 HN PHE 69 12.829 0.346 15.056 451 HA PHE 69 HA PHE 69 12.313 3.198 15.412 452 HB2 PHE 69 HB2 PHE 69 10.058 2.634 15.983 453 HB3 PHE 69 HB1 PHE 69 10.490 1.732 14.536 454 HD1 PHE 69 HD1 PHE 69 10.874 -0.706 14.674 455 HD2 PHE 69 HD2 PHE 69 9.500 1.543 18.015 456 HE1 PHE 69 HE1 PHE 69 10.141 -2.780 15.771 457 HE2 PHE 69 HE2 PHE 69 8.773 -0.530 19.118 458 HZ PHE 69 HZ PHE 69 9.093 -2.698 17.993 459 H GLY 70 HN GLY 70 12.255 4.200 17.309 460 HA2 GLY 70 HA2 GLY 70 11.912 3.091 19.835 461 HA3 GLY 70 HA1 GLY 70 13.644 3.133 19.525 462 H LEU 71 HN LEU 71 11.299 5.420 18.309 463 HA LEU 71 HA LEU 71 11.795 7.500 20.130 464 HB2 LEU 71 HB2 LEU 71 13.150 8.947 18.563 465 HB3 LEU 71 HB1 LEU 71 14.016 7.636 19.335 466 HG LEU 71 HG LEU 71 13.563 6.336 17.133 467 HD11 LEU 71 HD11 LEU 71 13.227 9.166 16.157 468 HD12 LEU 71 HD12 LEU 71 11.980 7.918 16.165 469 HD13 LEU 71 HD13 LEU 71 13.408 7.733 15.146 470 HD21 LEU 71 HD21 LEU 71 15.488 8.652 17.220 471 HD22 LEU 71 HD22 LEU 71 15.595 7.260 16.144 472 HD23 LEU 71 HD23 LEU 71 15.763 7.042 17.886 473 H LYS 72 HN LYS 72 10.732 9.459 19.508 474 HA LYS 72 HA LYS 72 9.052 10.672 18.598 475 HB2 LYS 72 HB2 LYS 72 9.980 9.281 16.088 476 HB3 LYS 72 HB1 LYS 72 8.821 10.601 16.113 477 HG2 LYS 72 HG2 LYS 72 10.496 12.084 17.062 478 HG3 LYS 72 HG1 LYS 72 11.660 10.759 17.106 479 HD2 LYS 72 HD2 LYS 72 12.024 12.220 15.174 480 HD3 LYS 72 HD1 LYS 72 11.576 10.588 14.678 481 HE2 LYS 72 HE2 LYS 72 9.279 11.322 14.305 482 HE3 LYS 72 HE1 LYS 72 9.703 12.949 14.833 483 HZ1 LYS 72 HZ1 LYS 72 9.651 12.782 12.429 484 HZ2 LYS 72 HZ2 LYS 72 10.820 11.553 12.458 485 HZ3 LYS 72 HZ3 LYS 72 11.223 13.116 12.967 486 H ALA 73 HN ALA 73 8.406 8.065 19.713 487 HA ALA 73 HA ALA 73 6.433 6.780 18.162 488 HB1 ALA 73 HB1 ALA 73 5.708 5.745 20.236 489 HB2 ALA 73 HB2 ALA 73 6.626 6.924 21.171 490 HB3 ALA 73 HB3 ALA 73 7.468 5.759 20.151 491 H THR 74 HN THR 74 6.357 9.464 20.417 492 HA THR 74 HA THR 74 3.527 9.921 20.044 493 HB THR 74 HB THR 74 5.549 11.801 21.272 494 HG1 THR 74 HG1 THR 74 4.499 9.409 22.206 495 HG21 THR 74 HG21 THR 74 3.590 12.627 22.513 496 HG22 THR 74 HG22 THR 74 2.565 11.493 21.636 497 HG23 THR 74 HG23 THR 74 3.381 12.794 20.771 498 H ARG 75 HN ARG 75 2.999 10.537 18.012 499 HA ARG 75 HA ARG 75 4.664 12.220 16.419 500 HB2 ARG 75 HB2 ARG 75 1.781 11.377 16.113 501 HB3 ARG 75 HB1 ARG 75 2.630 12.374 14.939 502 HG2 ARG 75 HG2 ARG 75 4.306 10.531 14.715 503 HG3 ARG 75 HG1 ARG 75 3.246 9.537 15.718 504 HD2 ARG 75 HD2 ARG 75 2.911 9.147 13.305 505 HD3 ARG 75 HD1 ARG 75 1.459 9.748 14.106 506 HE ARG 75 HE ARG 75 2.790 11.969 13.124 507 HH11 ARG 75 HH11 ARG 75 1.381 9.059 11.771 508 HH12 ARG 75 HH12 ARG 75 0.883 9.843 10.298 509 HH21 ARG 75 HH21 ARG 75 2.163 12.989 11.194 510 HH22 ARG 75 HH22 ARG 75 1.348 12.078 9.960 511 H ARG 76 HN ARG 76 5.087 14.131 17.317 512 HA ARG 76 HA ARG 76 3.016 15.751 18.518 513 HB2 ARG 76 HB2 ARG 76 4.942 17.431 18.689 514 HB3 ARG 76 HB1 ARG 76 5.097 15.937 19.603 515 HG2 ARG 76 HG2 ARG 76 6.599 15.024 17.983 516 HG3 ARG 76 HG1 ARG 76 6.348 16.400 16.905 517 HD2 ARG 76 HD2 ARG 76 7.602 16.497 19.647 518 HD3 ARG 76 HD1 ARG 76 8.469 16.570 18.115 519 HE ARG 76 HE ARG 76 6.471 18.615 18.810 520 HH11 ARG 76 HH11 ARG 76 9.736 17.744 17.884 521 HH12 ARG 76 HH12 ARG 76 10.262 19.389 17.733 522 HH21 ARG 76 HH21 ARG 76 7.162 20.769 18.606 523 HH22 ARG 76 HH22 ARG 76 8.800 21.111 18.143 524 H SER 77 HN SER 77 2.032 15.378 16.193 525 HA SER 77 HA SER 77 2.995 17.132 14.138 526 HB2 SER 77 HB2 SER 77 0.776 16.369 13.056 527 HB3 SER 77 HB1 SER 77 2.021 15.153 13.346 528 HG SER 77 HG SER 77 -0.368 14.898 14.090 529 H ARG 78 HN ARG 78 2.299 18.449 16.604 530 HA ARG 78 HA ARG 78 -0.146 19.911 16.118 531 HB2 ARG 78 HB2 ARG 78 2.070 20.620 18.050 532 HB3 ARG 78 HB1 ARG 78 0.390 21.133 18.116 533 HG2 ARG 78 HG2 ARG 78 1.446 18.350 18.574 534 HG3 ARG 78 HG1 ARG 78 0.785 19.451 19.784 535 HD2 ARG 78 HD2 ARG 78 -1.391 19.348 18.753 536 HD3 ARG 78 HD1 ARG 78 -0.755 18.375 17.429 537 HE ARG 78 HE ARG 78 -0.244 17.071 19.872 538 HH11 ARG 78 HH11 ARG 78 -2.912 17.881 17.756 539 HH12 ARG 78 HH12 ARG 78 -3.874 16.518 18.229 540 HH21 ARG 78 HH21 ARG 78 -1.506 15.265 20.493 541 HH22 ARG 78 HH22 ARG 78 -3.077 15.034 19.795 542 H LYS 79 HN LYS 79 3.131 20.034 15.266 543 HA LYS 79 HA LYS 79 2.810 22.714 14.097 544 HB2 LYS 79 HB2 LYS 79 5.373 21.267 14.803 545 HB3 LYS 79 HB1 LYS 79 5.248 22.897 14.159 546 HG2 LYS 79 HG2 LYS 79 4.183 23.668 16.175 547 HG3 LYS 79 HG1 LYS 79 4.125 22.022 16.815 548 HD2 LYS 79 HD2 LYS 79 5.975 22.924 17.891 549 HD3 LYS 79 HD1 LYS 79 6.700 22.082 16.526 550 HE2 LYS 79 HE2 LYS 79 6.061 25.029 16.572 551 HE3 LYS 79 HE1 LYS 79 7.640 24.351 16.949 552 HZ1 LYS 79 HZ1 LYS 79 7.667 25.062 14.707 553 HZ2 LYS 79 HZ2 LYS 79 6.222 24.271 14.344 554 HZ3 LYS 79 HZ3 LYS 79 7.617 23.373 14.669 555 H ALA 80 HN ALA 80 1.646 20.687 12.775 556 HA ALA 80 HA ALA 80 3.494 19.405 10.959 557 HB1 ALA 80 HB1 ALA 80 0.480 19.325 11.016 558 HB2 ALA 80 HB2 ALA 80 1.554 18.186 11.827 559 HB3 ALA 80 HB3 ALA 80 1.536 18.279 10.066 560 H GLU 81 HN GLU 81 3.976 21.911 10.497 561 HA GLU 81 HA GLU 81 2.318 23.034 8.434 562 HB2 GLU 81 HB2 GLU 81 5.116 23.760 9.318 563 HB3 GLU 81 HB1 GLU 81 4.133 24.696 8.204 564 HG2 GLU 81 HG2 GLU 81 2.467 25.017 9.996 565 HG3 GLU 81 HG1 GLU 81 3.543 24.170 11.107 566 H ARG 82 HN ARG 82 5.210 21.084 8.637 567 HA ARG 82 HA ARG 82 5.495 21.151 5.732 568 HB2 ARG 82 HB2 ARG 82 7.503 21.489 7.197 569 HB3 ARG 82 HB1 ARG 82 7.310 19.833 7.758 570 HG2 ARG 82 HG2 ARG 82 7.610 19.031 5.458 571 HG3 ARG 82 HG1 ARG 82 7.846 20.694 4.921 572 HD2 ARG 82 HD2 ARG 82 9.794 20.871 6.415 573 HD3 ARG 82 HD1 ARG 82 9.572 19.183 6.876 574 HE ARG 82 HE ARG 82 9.742 19.329 4.086 575 HH11 ARG 82 HH11 ARG 82 11.773 19.759 6.901 576 HH12 ARG 82 HH12 ARG 82 13.233 19.345 6.062 577 HH21 ARG 82 HH21 ARG 82 11.661 18.822 2.975 578 HH22 ARG 82 HH22 ARG 82 13.174 18.834 3.826 579 H ALA 83 HN ALA 83 3.434 19.932 5.593 580 HA ALA 83 HA ALA 83 4.062 17.061 5.605 581 HB1 ALA 83 HB1 ALA 83 2.503 17.554 7.454 582 HB2 ALA 83 HB2 ALA 83 1.792 16.504 6.229 583 HB3 ALA 83 HB3 ALA 83 1.358 18.210 6.286 584 H LYS 84 HN LYS 84 1.682 19.420 4.404 585 HA LYS 84 HA LYS 84 1.809 18.082 1.785 586 HB2 LYS 84 HB2 LYS 84 -0.350 19.855 2.948 587 HB3 LYS 84 HB1 LYS 84 -0.371 19.175 1.328 588 HG2 LYS 84 HG2 LYS 84 -0.333 17.563 3.868 589 HG3 LYS 84 HG1 LYS 84 -1.775 17.933 2.922 590 HD2 LYS 84 HD2 LYS 84 -0.799 16.764 0.996 591 HD3 LYS 84 HD1 LYS 84 0.629 16.381 1.960 592 HE2 LYS 84 HE2 LYS 84 -0.933 14.494 1.840 593 HE3 LYS 84 HE1 LYS 84 -0.722 15.074 3.491 594 HZ1 LYS 84 HZ1 LYS 84 -3.005 15.749 1.712 595 HZ2 LYS 84 HZ2 LYS 84 -2.809 16.257 3.314 596 HZ3 LYS 84 HZ3 LYS 84 -3.044 14.620 2.971 597 H LEU 85 HN LEU 85 3.673 19.165 1.093 598 HA LEU 85 HA LEU 85 3.497 22.081 0.876 599 HB2 LEU 85 HB2 LEU 85 5.823 20.220 0.367 600 HB3 LEU 85 HB1 LEU 85 5.877 21.955 0.170 601 HG LEU 85 HG LEU 85 6.931 21.534 2.221 602 HD11 LEU 85 HD11 LEU 85 4.086 22.247 2.902 603 HD12 LEU 85 HD12 LEU 85 5.324 23.367 2.336 604 HD13 LEU 85 HD13 LEU 85 5.510 22.564 3.894 605 HD21 LEU 85 HD21 LEU 85 4.623 19.754 2.976 606 HD22 LEU 85 HD22 LEU 85 6.022 20.128 3.982 607 HD23 LEU 85 HD23 LEU 85 6.229 19.216 2.488 Start of MODEL 8 1 H1 GLY 11 HT1 GLY 11 -25.466 -5.472 -3.671 2 H2 GLY 11 HT2 GLY 11 -24.347 -6.616 -3.124 3 H3 GLY 11 HT3 GLY 11 -25.711 -7.115 -3.987 4 HA2 GLY 11 HA1 GLY 11 -23.774 -7.183 -5.407 5 HA3 GLY 11 HA2 GLY 11 -24.919 -5.973 -5.963 6 H ARG 12 HN ARG 12 -24.476 -3.838 -4.407 7 HA ARG 12 HA ARG 12 -21.707 -3.123 -5.067 8 HB2 ARG 12 HB2 ARG 12 -22.448 -0.818 -5.037 9 HB3 ARG 12 HB1 ARG 12 -23.530 -1.755 -6.055 10 HG2 ARG 12 HG2 ARG 12 -25.165 -1.839 -4.242 11 HG3 ARG 12 HG1 ARG 12 -24.077 -0.894 -3.222 12 HD2 ARG 12 HD2 ARG 12 -25.762 0.544 -4.204 13 HD3 ARG 12 HD1 ARG 12 -24.170 0.940 -4.850 14 HE ARG 12 HE ARG 12 -25.669 -0.926 -6.457 15 HH11 ARG 12 HH11 ARG 12 -24.957 2.441 -5.841 16 HH12 ARG 12 HH12 ARG 12 -25.487 2.969 -7.406 17 HH21 ARG 12 HH21 ARG 12 -26.345 -0.249 -8.516 18 HH22 ARG 12 HH22 ARG 12 -26.265 1.436 -8.936 19 HA PRO 13 HA PRO 13 -20.663 -2.771 -0.796 20 HB2 PRO 13 HB2 PRO 13 -18.975 -0.455 -1.195 21 HB3 PRO 13 HB1 PRO 13 -18.503 -2.138 -0.951 22 HG2 PRO 13 HG2 PRO 13 -18.154 -0.800 -3.307 23 HG3 PRO 13 HG1 PRO 13 -18.362 -2.556 -3.198 24 HD2 PRO 13 HD2 PRO 13 -20.368 -0.448 -3.906 25 HD3 PRO 13 HD1 PRO 13 -20.117 -2.052 -4.628 26 H GLY 14 HN GLY 14 -22.860 -2.007 -0.259 27 HA2 GLY 14 HA2 GLY 14 -23.092 0.841 0.292 28 HA3 GLY 14 HA1 GLY 14 -24.319 -0.387 0.591 29 H VAL 15 HN VAL 15 -22.788 -2.202 2.065 30 HA VAL 15 HA VAL 15 -22.603 -0.839 4.606 31 HB VAL 15 HB VAL 15 -23.615 -3.033 4.611 32 HG11 VAL 15 HG11 VAL 15 -22.570 -4.013 2.673 33 HG12 VAL 15 HG12 VAL 15 -22.315 -5.059 4.069 34 HG13 VAL 15 HG13 VAL 15 -21.004 -4.031 3.485 35 HG21 VAL 15 HG21 VAL 15 -22.377 -2.417 6.604 36 HG22 VAL 15 HG22 VAL 15 -20.900 -3.095 5.917 37 HG23 VAL 15 HG23 VAL 15 -22.254 -4.154 6.318 38 H PHE 16 HN PHE 16 -20.809 -0.087 5.497 39 HA PHE 16 HA PHE 16 -18.692 0.697 5.646 40 HB2 PHE 16 HB2 PHE 16 -18.449 -1.999 5.862 41 HB3 PHE 16 HB1 PHE 16 -17.432 -1.705 4.456 42 HD1 PHE 16 HD1 PHE 16 -15.980 0.650 4.908 43 HD2 PHE 16 HD2 PHE 16 -17.236 -2.226 7.781 44 HE1 PHE 16 HE1 PHE 16 -14.148 1.338 6.404 45 HE2 PHE 16 HE2 PHE 16 -15.410 -1.542 9.276 46 HZ PHE 16 HZ PHE 16 -13.862 0.241 8.587 47 H ARG 17 HN ARG 17 -18.730 2.296 4.175 48 HA ARG 17 HA ARG 17 -18.312 1.654 1.349 49 HB2 ARG 17 HB2 ARG 17 -20.254 3.069 2.053 50 HB3 ARG 17 HB1 ARG 17 -19.123 4.267 2.653 51 HG2 ARG 17 HG2 ARG 17 -19.959 4.962 0.520 52 HG3 ARG 17 HG1 ARG 17 -18.254 4.542 0.357 53 HD2 ARG 17 HD2 ARG 17 -18.898 2.346 -0.533 54 HD3 ARG 17 HD1 ARG 17 -20.598 2.798 -0.395 55 HE ARG 17 HE ARG 17 -18.959 4.580 -1.996 56 HH11 ARG 17 HH11 ARG 17 -21.076 1.792 -1.962 57 HH12 ARG 17 HH12 ARG 17 -21.485 1.926 -3.645 58 HH21 ARG 17 HH21 ARG 17 -19.491 4.758 -4.207 59 HH22 ARG 17 HH22 ARG 17 -20.596 3.624 -4.921 60 H THR 18 HN THR 18 -16.975 3.292 0.144 61 HA THR 18 HA THR 18 -14.332 3.314 0.962 62 HB THR 18 HB THR 18 -14.204 5.223 -0.805 63 HG1 THR 18 HG1 THR 18 -16.401 5.797 -0.786 64 HG21 THR 18 HG21 THR 18 -13.533 2.944 -1.268 65 HG22 THR 18 HG22 THR 18 -14.470 3.569 -2.625 66 HG23 THR 18 HG23 THR 18 -15.215 2.456 -1.475 67 H ARG 19 HN ARG 19 -13.508 4.315 2.649 68 HA ARG 19 HA ARG 19 -14.443 6.478 4.075 69 HB2 ARG 19 HB2 ARG 19 -12.686 5.163 4.991 70 HB3 ARG 19 HB1 ARG 19 -11.647 5.454 3.603 71 HG2 ARG 19 HG2 ARG 19 -11.691 7.902 4.298 72 HG3 ARG 19 HG1 ARG 19 -12.372 7.331 5.822 73 HD2 ARG 19 HD2 ARG 19 -10.435 6.045 6.304 74 HD3 ARG 19 HD1 ARG 19 -9.798 6.261 4.669 75 HE ARG 19 HE ARG 19 -10.203 8.737 6.077 76 HH11 ARG 19 HH11 ARG 19 -7.973 6.072 5.688 77 HH12 ARG 19 HH12 ARG 19 -6.558 7.045 5.960 78 HH21 ARG 19 HH21 ARG 19 -8.371 10.010 6.480 79 HH22 ARG 19 HH22 ARG 19 -6.797 9.284 6.448 80 H GLY 20 HN GLY 20 -11.962 6.508 1.544 81 HA2 GLY 20 HA2 GLY 20 -12.948 8.864 0.328 82 HA3 GLY 20 HA1 GLY 20 -11.550 9.233 1.331 83 H LEU 21 HN LEU 21 -12.569 6.758 -0.967 84 HA LEU 21 HA LEU 21 -9.825 6.542 -1.895 85 HB2 LEU 21 HB2 LEU 21 -12.208 4.843 -1.979 86 HB3 LEU 21 HB1 LEU 21 -11.278 4.838 -3.465 87 HG LEU 21 HG LEU 21 -9.267 4.247 -2.134 88 HD11 LEU 21 HD11 LEU 21 -9.715 3.274 0.124 89 HD12 LEU 21 HD12 LEU 21 -11.262 4.125 0.086 90 HD13 LEU 21 HD13 LEU 21 -9.746 5.030 -0.000 91 HD21 LEU 21 HD21 LEU 21 -10.093 2.442 -3.202 92 HD22 LEU 21 HD22 LEU 21 -11.653 2.522 -2.391 93 HD23 LEU 21 HD23 LEU 21 -10.240 1.903 -1.529 94 H THR 22 HN THR 22 -9.195 7.918 -3.351 95 HA THR 22 HA THR 22 -10.905 9.145 -5.257 96 HB THR 22 HB THR 22 -8.779 9.875 -6.313 97 HG1 THR 22 HG1 THR 22 -6.840 9.238 -4.978 98 HG21 THR 22 HG21 THR 22 -9.677 11.170 -4.459 99 HG22 THR 22 HG22 THR 22 -7.917 11.145 -4.370 100 HG23 THR 22 HG23 THR 22 -8.871 10.116 -3.299 101 H ASP 23 HN ASP 23 -10.215 8.810 -7.734 102 HA ASP 23 HA ASP 23 -11.119 6.261 -8.431 103 HB2 ASP 23 HB2 ASP 23 -11.208 8.239 -9.933 104 HB3 ASP 23 HB1 ASP 23 -9.465 8.125 -10.150 105 H GLU 24 HN GLU 24 -7.891 7.492 -7.941 106 HA GLU 24 HA GLU 24 -6.459 5.299 -9.008 107 HB2 GLU 24 HB2 GLU 24 -5.660 7.254 -6.841 108 HB3 GLU 24 HB1 GLU 24 -4.562 6.185 -7.703 109 HG2 GLU 24 HG2 GLU 24 -6.232 8.307 -9.020 110 HG3 GLU 24 HG1 GLU 24 -4.561 8.532 -8.507 111 H GLU 25 HN GLU 25 -7.251 6.111 -5.604 112 HA GLU 25 HA GLU 25 -6.164 3.732 -4.524 113 HB2 GLU 25 HB2 GLU 25 -8.392 5.344 -3.284 114 HB3 GLU 25 HB1 GLU 25 -7.236 4.320 -2.460 115 HG2 GLU 25 HG2 GLU 25 -6.557 6.859 -3.929 116 HG3 GLU 25 HG1 GLU 25 -6.747 6.703 -2.184 117 H TYR 26 HN TYR 26 -9.348 4.578 -5.713 118 HA TYR 26 HA TYR 26 -10.606 2.170 -4.867 119 HB2 TYR 26 HB2 TYR 26 -11.819 4.290 -5.448 120 HB3 TYR 26 HB1 TYR 26 -11.447 3.961 -7.131 121 HD1 TYR 26 HD2 TYR 26 -13.288 2.721 -4.192 122 HD2 TYR 26 HD1 TYR 26 -12.682 2.358 -8.380 123 HE1 TYR 26 HE2 TYR 26 -15.260 1.271 -4.341 124 HE2 TYR 26 HE1 TYR 26 -14.642 0.906 -8.553 125 HH TYR 26 HH TYR 26 -15.950 -0.631 -6.992 126 H ASP 27 HN ASP 27 -8.873 3.165 -7.756 127 HA ASP 27 HA ASP 27 -9.498 0.892 -9.320 128 HB2 ASP 27 HB2 ASP 27 -8.459 2.985 -10.228 129 HB3 ASP 27 HB1 ASP 27 -6.968 2.559 -9.402 130 H GLU 28 HN GLU 28 -6.758 1.646 -7.192 131 HA GLU 28 HA GLU 28 -5.436 -0.818 -7.315 132 HB2 GLU 28 HB2 GLU 28 -4.501 1.165 -6.198 133 HB3 GLU 28 HB1 GLU 28 -5.757 1.082 -4.972 134 HG2 GLU 28 HG2 GLU 28 -4.900 -1.141 -4.329 135 HG3 GLU 28 HG1 GLU 28 -3.570 -0.919 -5.454 136 H PHE 29 HN PHE 29 -8.084 0.300 -5.263 137 HA PHE 29 HA PHE 29 -8.471 -2.023 -3.755 138 HB2 PHE 29 HB2 PHE 29 -9.575 -0.029 -3.099 139 HB3 PHE 29 HB1 PHE 29 -10.334 0.162 -4.674 140 HD1 PHE 29 HD1 PHE 29 -10.176 -2.489 -2.050 141 HD2 PHE 29 HD2 PHE 29 -12.574 -0.165 -4.680 142 HE1 PHE 29 HE1 PHE 29 -12.182 -3.602 -1.198 143 HE2 PHE 29 HE2 PHE 29 -14.593 -1.274 -3.834 144 HZ PHE 29 HZ PHE 29 -14.398 -2.981 -2.080 145 H LYS 30 HN LYS 30 -9.920 -1.086 -6.892 146 HA LYS 30 HA LYS 30 -11.438 -3.425 -7.255 147 HB2 LYS 30 HB2 LYS 30 -10.072 -1.732 -9.367 148 HB3 LYS 30 HB1 LYS 30 -11.323 -2.923 -9.680 149 HG2 LYS 30 HG2 LYS 30 -12.859 -1.569 -8.257 150 HG3 LYS 30 HG1 LYS 30 -11.607 -0.337 -8.172 151 HD2 LYS 30 HD2 LYS 30 -12.756 -1.383 -10.756 152 HD3 LYS 30 HD1 LYS 30 -13.355 0.055 -9.929 153 HE2 LYS 30 HE2 LYS 30 -11.249 1.160 -10.188 154 HE3 LYS 30 HE1 LYS 30 -10.497 -0.310 -10.795 155 HZ1 LYS 30 HZ1 LYS 30 -11.945 -0.193 -12.736 156 HZ2 LYS 30 HZ2 LYS 30 -11.003 1.206 -12.593 157 HZ3 LYS 30 HZ3 LYS 30 -12.635 1.236 -12.152 158 H LYS 31 HN LYS 31 -8.180 -2.597 -8.319 159 HA LYS 31 HA LYS 31 -7.437 -4.976 -9.532 160 HB2 LYS 31 HB2 LYS 31 -6.094 -3.019 -9.752 161 HB3 LYS 31 HB1 LYS 31 -5.855 -2.916 -8.014 162 HG2 LYS 31 HG2 LYS 31 -4.599 -5.007 -8.097 163 HG3 LYS 31 HG1 LYS 31 -4.762 -5.027 -9.850 164 HD2 LYS 31 HD2 LYS 31 -3.476 -2.804 -8.272 165 HD3 LYS 31 HD1 LYS 31 -2.589 -4.113 -9.052 166 HE2 LYS 31 HE2 LYS 31 -3.338 -3.409 -11.218 167 HE3 LYS 31 HE1 LYS 31 -4.431 -2.223 -10.507 168 HZ1 LYS 31 HZ1 LYS 31 -2.365 -1.244 -11.363 169 HZ2 LYS 31 HZ2 LYS 31 -1.477 -2.150 -10.247 170 HZ3 LYS 31 HZ3 LYS 31 -2.568 -0.979 -9.707 171 H ARG 32 HN ARG 32 -7.170 -4.005 -6.154 172 HA ARG 32 HA ARG 32 -5.966 -6.404 -5.249 173 HB2 ARG 32 HB2 ARG 32 -7.357 -4.145 -3.870 174 HB3 ARG 32 HB1 ARG 32 -6.688 -5.495 -2.978 175 HG2 ARG 32 HG2 ARG 32 -4.483 -4.987 -3.742 176 HG3 ARG 32 HG1 ARG 32 -5.096 -3.769 -4.859 177 HD2 ARG 32 HD2 ARG 32 -4.213 -2.598 -3.013 178 HD3 ARG 32 HD1 ARG 32 -5.967 -2.536 -2.846 179 HE ARG 32 HE ARG 32 -5.381 -4.647 -1.335 180 HH11 ARG 32 HH11 ARG 32 -3.914 -1.454 -1.494 181 HH12 ARG 32 HH12 ARG 32 -3.374 -1.503 0.159 182 HH21 ARG 32 HH21 ARG 32 -4.676 -4.678 0.836 183 HH22 ARG 32 HH22 ARG 32 -3.781 -3.320 1.465 184 H ARG 33 HN ARG 33 -9.295 -5.261 -5.399 185 HA ARG 33 HA ARG 33 -10.422 -7.492 -4.053 186 HB2 ARG 33 HB2 ARG 33 -11.640 -5.403 -4.204 187 HB3 ARG 33 HB1 ARG 33 -11.659 -5.497 -5.958 188 HG2 ARG 33 HG2 ARG 33 -13.226 -7.204 -5.977 189 HG3 ARG 33 HG1 ARG 33 -12.910 -7.647 -4.301 190 HD2 ARG 33 HD2 ARG 33 -13.907 -5.580 -3.543 191 HD3 ARG 33 HD1 ARG 33 -14.222 -5.086 -5.204 192 HE ARG 33 HE ARG 33 -15.376 -7.584 -4.165 193 HH11 ARG 33 HH11 ARG 33 -15.829 -4.343 -5.411 194 HH12 ARG 33 HH12 ARG 33 -17.541 -4.530 -5.601 195 HH21 ARG 33 HH21 ARG 33 -17.622 -7.830 -4.434 196 HH22 ARG 33 HH22 ARG 33 -18.558 -6.511 -5.061 197 H GLU 34 HN GLU 34 -9.722 -6.767 -7.408 198 HA GLU 34 HA GLU 34 -10.893 -9.001 -8.616 199 HB2 GLU 34 HB2 GLU 34 -9.954 -7.038 -9.811 200 HB3 GLU 34 HB1 GLU 34 -8.338 -7.580 -9.386 201 HG2 GLU 34 HG2 GLU 34 -8.738 -9.652 -10.662 202 HG3 GLU 34 HG1 GLU 34 -10.307 -9.011 -11.150 203 H SER 35 HN SER 35 -7.735 -8.550 -7.104 204 HA SER 35 HA SER 35 -6.626 -11.057 -7.674 205 HB2 SER 35 HB2 SER 35 -5.389 -9.092 -6.739 206 HB3 SER 35 HB1 SER 35 -6.173 -9.384 -5.189 207 HG SER 35 HG SER 35 -4.340 -11.040 -6.574 208 H ARG 36 HN ARG 36 -8.870 -10.015 -5.197 209 HA ARG 36 HA ARG 36 -8.802 -12.582 -3.838 210 HB2 ARG 36 HB2 ARG 36 -10.125 -9.958 -3.347 211 HB3 ARG 36 HB1 ARG 36 -10.797 -11.379 -2.583 212 HG2 ARG 36 HG2 ARG 36 -9.390 -10.663 -0.940 213 HG3 ARG 36 HG1 ARG 36 -8.303 -11.741 -1.821 214 HD2 ARG 36 HD2 ARG 36 -7.522 -9.757 -3.103 215 HD3 ARG 36 HD1 ARG 36 -8.499 -8.755 -2.046 216 HE ARG 36 HE ARG 36 -6.982 -10.114 -0.295 217 HH11 ARG 36 HH11 ARG 36 -6.185 -8.304 -3.181 218 HH12 ARG 36 HH12 ARG 36 -4.611 -7.842 -2.619 219 HH21 ARG 36 HH21 ARG 36 -4.927 -9.500 0.464 220 HH22 ARG 36 HH22 ARG 36 -3.892 -8.533 -0.533 221 H GLY 37 HN GLY 37 -10.066 -11.716 -6.656 222 HA2 GLY 37 HA2 GLY 37 -11.674 -12.674 -7.992 223 HA3 GLY 37 HA1 GLY 37 -11.975 -13.824 -6.699 224 H GLY 38 HN GLY 38 -12.204 -10.452 -6.003 225 HA2 GLY 38 HA2 GLY 38 -14.163 -9.095 -6.036 226 HA3 GLY 38 HA1 GLY 38 -15.132 -10.547 -6.217 227 H LYS 39 HN LYS 39 -13.313 -11.752 -4.061 228 HA LYS 39 HA LYS 39 -15.064 -11.046 -1.876 229 HB2 LYS 39 HB2 LYS 39 -12.770 -12.992 -1.968 230 HB3 LYS 39 HB1 LYS 39 -13.972 -12.860 -0.687 231 HG2 LYS 39 HG2 LYS 39 -15.650 -13.219 -2.673 232 HG3 LYS 39 HG1 LYS 39 -14.236 -13.951 -3.431 233 HD2 LYS 39 HD2 LYS 39 -13.966 -15.422 -1.497 234 HD3 LYS 39 HD1 LYS 39 -15.391 -14.690 -0.760 235 HE2 LYS 39 HE2 LYS 39 -15.341 -16.200 -3.370 236 HE3 LYS 39 HE1 LYS 39 -15.915 -16.839 -1.831 237 HZ1 LYS 39 HZ1 LYS 39 -17.092 -14.575 -3.353 238 HZ2 LYS 39 HZ2 LYS 39 -17.605 -15.073 -1.821 239 HZ3 LYS 39 HZ3 LYS 39 -17.768 -16.111 -3.142 240 H TYR 40 HN TYR 40 -14.024 -8.779 -2.140 241 HA TYR 40 HA TYR 40 -12.024 -8.465 -0.047 242 HB2 TYR 40 HB2 TYR 40 -10.849 -8.668 -2.284 243 HB3 TYR 40 HB1 TYR 40 -11.645 -7.168 -2.732 244 HD1 TYR 40 HD1 TYR 40 -9.795 -8.410 0.252 245 HD2 TYR 40 HD2 TYR 40 -10.228 -5.348 -2.660 246 HE1 TYR 40 HE1 TYR 40 -7.964 -7.168 1.302 247 HE2 TYR 40 HE2 TYR 40 -8.378 -4.096 -1.627 248 HH TYR 40 HH TYR 40 -7.275 -3.972 0.637 249 H SER 41 HN SER 41 -13.298 -7.209 1.262 250 HA SER 41 HA SER 41 -15.015 -5.217 0.092 251 HB2 SER 41 HB2 SER 41 -15.018 -4.667 2.745 252 HB3 SER 41 HB1 SER 41 -16.116 -5.771 1.953 253 HG SER 41 HG SER 41 -14.540 -6.367 3.888 254 H ILE 42 HN ILE 42 -15.020 -3.026 0.998 255 HA ILE 42 HA ILE 42 -12.558 -1.751 0.470 256 HB ILE 42 HB ILE 42 -15.028 -0.885 0.297 257 HG12 ILE 42 HG12 ILE 42 -14.275 1.371 0.260 258 HG13 ILE 42 HG11 ILE 42 -12.956 1.034 1.370 259 HG21 ILE 42 HG21 ILE 42 -15.671 0.548 2.166 260 HG22 ILE 42 HG22 ILE 42 -14.270 -0.021 3.075 261 HG23 ILE 42 HG23 ILE 42 -15.563 -1.145 2.650 262 HD11 ILE 42 HD11 ILE 42 -12.230 1.365 -0.927 263 HD12 ILE 42 HD12 ILE 42 -13.218 -0.010 -1.426 264 HD13 ILE 42 HD13 ILE 42 -11.851 -0.250 -0.336 265 H ASP 43 HN ASP 43 -13.967 -3.094 3.314 266 HA ASP 43 HA ASP 43 -12.560 -1.432 5.165 267 HB2 ASP 43 HB2 ASP 43 -13.489 -2.768 6.882 268 HB3 ASP 43 HB1 ASP 43 -14.716 -2.741 5.617 269 H ASP 44 HN ASP 44 -11.909 -4.520 3.608 270 HA ASP 44 HA ASP 44 -9.577 -5.105 5.146 271 HB2 ASP 44 HB2 ASP 44 -10.914 -6.728 3.660 272 HB3 ASP 44 HB1 ASP 44 -10.025 -6.030 2.313 273 H TYR 45 HN TYR 45 -10.256 -3.392 2.160 274 HA TYR 45 HA TYR 45 -7.575 -2.686 1.580 275 HB2 TYR 45 HB2 TYR 45 -9.325 -2.548 -0.130 276 HB3 TYR 45 HB1 TYR 45 -10.151 -1.300 0.795 277 HD1 TYR 45 HD1 TYR 45 -9.267 0.973 0.895 278 HD2 TYR 45 HD2 TYR 45 -7.318 -2.043 -1.386 279 HE1 TYR 45 HE1 TYR 45 -7.884 2.712 -0.223 280 HE2 TYR 45 HE2 TYR 45 -5.960 -0.328 -2.523 281 HH TYR 45 HH TYR 45 -6.053 2.061 -3.014 282 H LEU 46 HN LEU 46 -10.180 -1.063 3.345 283 HA LEU 46 HA LEU 46 -8.801 1.343 3.785 284 HB2 LEU 46 HB2 LEU 46 -11.163 0.095 5.145 285 HB3 LEU 46 HB1 LEU 46 -10.518 1.640 5.652 286 HG LEU 46 HG LEU 46 -11.652 0.997 2.933 287 HD11 LEU 46 HD11 LEU 46 -13.362 1.200 4.628 288 HD12 LEU 46 HD12 LEU 46 -13.387 2.612 3.574 289 HD13 LEU 46 HD13 LEU 46 -12.669 2.726 5.181 290 HD21 LEU 46 HD21 LEU 46 -10.465 3.544 4.021 291 HD22 LEU 46 HD22 LEU 46 -11.406 3.432 2.534 292 HD23 LEU 46 HD23 LEU 46 -9.867 2.580 2.669 293 H ALA 47 HN ALA 47 -9.053 -1.592 5.745 294 HA ALA 47 HA ALA 47 -7.731 -0.571 8.024 295 HB1 ALA 47 HB1 ALA 47 -9.026 -2.661 8.030 296 HB2 ALA 47 HB2 ALA 47 -7.391 -2.901 8.648 297 HB3 ALA 47 HB3 ALA 47 -7.801 -3.416 7.012 298 H ASP 48 HN ASP 48 -6.529 -2.199 5.120 299 HA ASP 48 HA ASP 48 -3.788 -2.059 5.929 300 HB2 ASP 48 HB2 ASP 48 -4.587 -3.710 4.269 301 HB3 ASP 48 HB1 ASP 48 -4.959 -2.398 3.157 302 H ARG 49 HN ARG 49 -5.983 -0.042 4.098 303 HA ARG 49 HA ARG 49 -4.224 1.860 3.065 304 HB2 ARG 49 HB2 ARG 49 -6.605 1.725 2.470 305 HB3 ARG 49 HB1 ARG 49 -7.039 2.240 4.092 306 HG2 ARG 49 HG2 ARG 49 -6.047 4.397 3.724 307 HG3 ARG 49 HG1 ARG 49 -5.453 3.885 2.143 308 HD2 ARG 49 HD2 ARG 49 -7.778 3.545 1.418 309 HD3 ARG 49 HD1 ARG 49 -8.341 4.153 2.967 310 HE ARG 49 HE ARG 49 -8.023 6.260 2.185 311 HH11 ARG 49 HH11 ARG 49 -5.948 4.115 0.353 312 HH12 ARG 49 HH12 ARG 49 -5.414 5.357 -0.741 313 HH21 ARG 49 HH21 ARG 49 -7.338 7.889 0.734 314 HH22 ARG 49 HH22 ARG 49 -6.210 7.493 -0.526 315 H GLU 50 HN GLU 50 -5.957 1.750 6.146 316 HA GLU 50 HA GLU 50 -5.090 4.057 7.364 317 HB2 GLU 50 HB2 GLU 50 -5.589 1.319 8.547 318 HB3 GLU 50 HB1 GLU 50 -5.342 2.772 9.513 319 HG2 GLU 50 HG2 GLU 50 -7.541 2.351 7.511 320 HG3 GLU 50 HG1 GLU 50 -7.704 2.200 9.257 321 H ARG 51 HN ARG 51 -3.436 0.971 7.072 322 HA ARG 51 HA ARG 51 -1.190 1.745 8.664 323 HB2 ARG 51 HB2 ARG 51 -1.515 -0.558 6.773 324 HB3 ARG 51 HB1 ARG 51 -0.202 -0.347 7.931 325 HG2 ARG 51 HG2 ARG 51 -2.194 -0.137 9.630 326 HG3 ARG 51 HG1 ARG 51 -3.033 -1.061 8.387 327 HD2 ARG 51 HD2 ARG 51 -1.115 -2.656 8.422 328 HD3 ARG 51 HD1 ARG 51 -0.514 -1.775 9.824 329 HE ARG 51 HE ARG 51 -2.925 -2.382 10.691 330 HH11 ARG 51 HH11 ARG 51 -0.655 -4.381 8.934 331 HH12 ARG 51 HH12 ARG 51 -1.252 -5.870 9.594 332 HH21 ARG 51 HH21 ARG 51 -3.703 -4.352 11.578 333 HH22 ARG 51 HH22 ARG 51 -2.974 -5.851 11.104 334 H GLU 52 HN GLU 52 -1.833 1.346 5.233 335 HA GLU 52 HA GLU 52 0.761 1.745 4.301 336 HB2 GLU 52 HB2 GLU 52 -1.897 2.168 2.979 337 HB3 GLU 52 HB1 GLU 52 -0.370 2.422 2.140 338 HG2 GLU 52 HG2 GLU 52 -1.207 -0.157 3.443 339 HG3 GLU 52 HG1 GLU 52 -1.348 0.205 1.724 340 H GLU 53 HN GLU 53 -1.662 4.112 5.222 341 HA GLU 53 HA GLU 53 -0.451 6.299 3.897 342 HB2 GLU 53 HB2 GLU 53 -2.158 6.326 6.388 343 HB3 GLU 53 HB1 GLU 53 -1.778 7.722 5.389 344 HG2 GLU 53 HG2 GLU 53 -2.877 6.486 3.481 345 HG3 GLU 53 HG1 GLU 53 -3.469 5.345 4.687 346 H GLU 54 HN GLU 54 -0.057 5.016 7.189 347 HA GLU 54 HA GLU 54 1.840 7.057 7.877 348 HB2 GLU 54 HB2 GLU 54 2.141 5.863 9.968 349 HB3 GLU 54 HB1 GLU 54 0.428 5.995 9.605 350 HG2 GLU 54 HG2 GLU 54 0.369 3.698 8.869 351 HG3 GLU 54 HG1 GLU 54 2.112 3.555 9.089 352 H LEU 55 HN LEU 55 1.914 4.037 6.338 353 HA LEU 55 HA LEU 55 4.769 3.630 6.746 354 HB2 LEU 55 HB2 LEU 55 2.782 2.047 5.109 355 HB3 LEU 55 HB1 LEU 55 4.434 1.568 5.463 356 HG LEU 55 HG LEU 55 2.268 1.940 7.536 357 HD11 LEU 55 HD11 LEU 55 2.238 -0.478 7.705 358 HD12 LEU 55 HD12 LEU 55 3.422 -0.602 6.406 359 HD13 LEU 55 HD13 LEU 55 1.810 0.036 6.073 360 HD21 LEU 55 HD21 LEU 55 5.064 0.833 7.751 361 HD22 LEU 55 HD22 LEU 55 3.854 0.818 9.035 362 HD23 LEU 55 HD23 LEU 55 4.480 2.352 8.432 363 H LEU 56 HN LEU 56 2.660 5.143 4.589 364 HA LEU 56 HA LEU 56 4.319 5.082 2.243 365 HB2 LEU 56 HB2 LEU 56 1.722 5.559 2.598 366 HB3 LEU 56 HB1 LEU 56 2.278 7.207 2.761 367 HG LEU 56 HG LEU 56 3.217 7.133 0.501 368 HD11 LEU 56 HD11 LEU 56 2.728 5.206 -0.954 369 HD12 LEU 56 HD12 LEU 56 2.096 4.330 0.443 370 HD13 LEU 56 HD13 LEU 56 3.802 4.778 0.378 371 HD21 LEU 56 HD21 LEU 56 0.354 6.194 0.668 372 HD22 LEU 56 HD22 LEU 56 1.095 7.003 -0.716 373 HD23 LEU 56 HD23 LEU 56 0.913 7.862 0.814 374 H GLU 57 HN GLU 57 3.537 7.330 4.808 375 HA GLU 57 HA GLU 57 5.746 9.086 4.096 376 HB2 GLU 57 HB2 GLU 57 3.789 9.290 6.394 377 HB3 GLU 57 HB1 GLU 57 4.854 10.556 5.802 378 HG2 GLU 57 HG2 GLU 57 2.582 9.329 4.250 379 HG3 GLU 57 HG1 GLU 57 2.525 10.875 5.100 380 H ARG 58 HN ARG 58 6.778 9.891 6.446 381 HA ARG 58 HA ARG 58 7.520 7.442 7.883 382 HB2 ARG 58 HB2 ARG 58 9.264 7.997 6.188 383 HB3 ARG 58 HB1 ARG 58 9.503 9.540 6.994 384 HG2 ARG 58 HG2 ARG 58 10.182 8.375 9.032 385 HG3 ARG 58 HG1 ARG 58 9.936 6.826 8.225 386 HD2 ARG 58 HD2 ARG 58 11.646 7.480 6.558 387 HD3 ARG 58 HD1 ARG 58 11.934 8.953 7.481 388 HE ARG 58 HE ARG 58 12.210 6.441 8.921 389 HH11 ARG 58 HH11 ARG 58 13.804 9.056 7.212 390 HH12 ARG 58 HH12 ARG 58 15.359 8.723 7.908 391 HH21 ARG 58 HH21 ARG 58 14.249 5.996 9.818 392 HH22 ARG 58 HH22 ARG 58 15.609 6.988 9.394 393 H ASP 59 HN ASP 59 6.566 7.837 9.755 394 HA ASP 59 HA ASP 59 6.211 10.302 11.025 395 HB2 ASP 59 HB2 ASP 59 6.463 7.552 12.257 396 HB3 ASP 59 HB1 ASP 59 5.817 8.972 13.072 397 H GLU 60 HN GLU 60 8.784 7.892 11.309 398 HA GLU 60 HA GLU 60 10.117 9.141 13.480 399 HB2 GLU 60 HB2 GLU 60 11.037 7.090 11.476 400 HB3 GLU 60 HB1 GLU 60 12.024 7.633 12.822 401 HG2 GLU 60 HG2 GLU 60 10.289 6.839 14.378 402 HG3 GLU 60 HG1 GLU 60 9.373 6.225 13.000 403 H GLU 61 HN GLU 61 9.950 10.075 10.250 404 HA GLU 61 HA GLU 61 12.609 10.813 9.713 405 HB2 GLU 61 HB2 GLU 61 10.726 10.684 8.052 406 HB3 GLU 61 HB1 GLU 61 10.124 12.197 8.700 407 HG2 GLU 61 HG2 GLU 61 12.904 11.967 7.617 408 HG3 GLU 61 HG1 GLU 61 11.525 12.253 6.561 409 H GLU 62 HN GLU 62 9.900 12.838 10.866 410 HA GLU 62 HA GLU 62 11.552 14.188 12.735 411 HB2 GLU 62 HB2 GLU 62 12.338 15.259 10.636 412 HB3 GLU 62 HB1 GLU 62 10.699 15.808 10.328 413 HG2 GLU 62 HG2 GLU 62 10.745 17.188 12.304 414 HG3 GLU 62 HG1 GLU 62 12.341 16.571 12.729 415 H ALA 63 HN ALA 63 8.993 15.753 10.881 416 HA ALA 63 HA ALA 63 7.138 15.292 13.113 417 HB1 ALA 63 HB1 ALA 63 8.140 17.505 13.424 418 HB2 ALA 63 HB2 ALA 63 6.424 17.623 13.038 419 HB3 ALA 63 HB3 ALA 63 7.630 17.963 11.799 420 H ILE 64 HN ILE 64 6.223 13.729 11.684 421 HA ILE 64 HA ILE 64 4.613 14.930 9.527 422 HB ILE 64 HB ILE 64 5.721 12.113 9.625 423 HG12 ILE 64 HG12 ILE 64 6.828 12.992 7.445 424 HG13 ILE 64 HG11 ILE 64 6.509 14.584 8.112 425 HG21 ILE 64 HG21 ILE 64 4.066 13.475 7.506 426 HG22 ILE 64 HG22 ILE 64 3.538 12.164 8.561 427 HG23 ILE 64 HG23 ILE 64 4.802 11.880 7.366 428 HD11 ILE 64 HD11 ILE 64 7.854 14.056 10.064 429 HD12 ILE 64 HD12 ILE 64 8.780 13.838 8.578 430 HD13 ILE 64 HD13 ILE 64 8.144 12.433 9.433 431 H PHE 65 HN PHE 65 4.729 13.079 12.382 432 HA PHE 65 HA PHE 65 2.011 12.072 12.064 433 HB2 PHE 65 HB2 PHE 65 2.517 10.737 14.088 434 HB3 PHE 65 HB1 PHE 65 3.676 10.456 12.791 435 HD1 PHE 65 HD2 PHE 65 5.917 11.570 12.916 436 HD2 PHE 65 HD1 PHE 65 3.225 11.461 16.207 437 HE1 PHE 65 HE2 PHE 65 7.778 12.053 14.444 438 HE2 PHE 65 HE1 PHE 65 5.085 11.945 17.743 439 HZ PHE 65 HZ PHE 65 7.362 12.238 16.861 440 H GLY 66 HN GLY 66 2.738 14.909 12.530 441 HA2 GLY 66 HA2 GLY 66 1.547 16.594 13.621 442 HA3 GLY 66 HA1 GLY 66 0.918 15.396 14.742 443 H ASP 67 HN ASP 67 3.820 17.208 13.869 444 HA ASP 67 HA ASP 67 5.637 17.891 15.053 445 HB2 ASP 67 HB2 ASP 67 3.682 18.897 16.420 446 HB3 ASP 67 HB1 ASP 67 3.985 17.598 17.568 447 H GLY 68 HN GLY 68 6.260 17.043 17.845 448 HA2 GLY 68 HA2 GLY 68 6.897 15.162 19.057 449 HA3 GLY 68 HA1 GLY 68 6.255 14.145 17.777 450 H PHE 69 HN PHE 69 8.396 16.628 16.784 451 HA PHE 69 HA PHE 69 10.291 14.661 15.897 452 HB2 PHE 69 HB2 PHE 69 11.482 16.539 14.871 453 HB3 PHE 69 HB1 PHE 69 9.770 16.570 14.461 454 HD1 PHE 69 HD2 PHE 69 8.283 18.244 15.560 455 HD2 PHE 69 HD1 PHE 69 12.514 18.313 16.031 456 HE1 PHE 69 HE2 PHE 69 8.157 20.575 16.334 457 HE2 PHE 69 HE1 PHE 69 12.392 20.645 16.805 458 HZ PHE 69 HZ PHE 69 10.214 21.778 16.959 459 H GLY 70 HN GLY 70 12.677 15.129 16.208 460 HA2 GLY 70 HA2 GLY 70 14.290 16.106 17.829 461 HA3 GLY 70 HA1 GLY 70 13.134 15.653 19.077 462 H LEU 71 HN LEU 71 13.077 13.596 19.823 463 HA LEU 71 HA LEU 71 13.758 11.489 20.292 464 HB2 LEU 71 HB2 LEU 71 14.138 11.331 17.302 465 HB3 LEU 71 HB1 LEU 71 14.040 9.962 18.390 466 HG LEU 71 HG LEU 71 11.816 11.932 17.848 467 HD11 LEU 71 HD11 LEU 71 12.254 10.499 15.936 468 HD12 LEU 71 HD12 LEU 71 10.736 10.048 16.716 469 HD13 LEU 71 HD13 LEU 71 12.184 9.071 16.970 470 HD21 LEU 71 HD21 LEU 71 11.858 9.406 19.496 471 HD22 LEU 71 HD22 LEU 71 10.427 10.365 19.122 472 HD23 LEU 71 HD23 LEU 71 11.712 11.050 20.114 473 H LYS 72 HN LYS 72 15.850 10.978 17.666 474 HA LYS 72 HA LYS 72 18.090 10.595 19.392 475 HB2 LYS 72 HB2 LYS 72 17.779 9.148 17.485 476 HB3 LYS 72 HB1 LYS 72 17.786 10.516 16.386 477 HG2 LYS 72 HG2 LYS 72 20.151 10.941 17.021 478 HG3 LYS 72 HG1 LYS 72 20.112 9.450 17.967 479 HD2 LYS 72 HD2 LYS 72 19.671 8.146 15.998 480 HD3 LYS 72 HD1 LYS 72 19.486 9.604 15.021 481 HE2 LYS 72 HE2 LYS 72 21.844 10.164 15.461 482 HE3 LYS 72 HE1 LYS 72 22.013 8.666 16.373 483 HZ1 LYS 72 HZ1 LYS 72 22.809 8.521 14.056 484 HZ2 LYS 72 HZ2 LYS 72 21.231 8.795 13.513 485 HZ3 LYS 72 HZ3 LYS 72 21.588 7.404 14.407 486 H ALA 73 HN ALA 73 17.035 13.101 17.204 487 HA ALA 73 HA ALA 73 19.518 14.479 17.023 488 HB1 ALA 73 HB1 ALA 73 18.206 16.291 16.035 489 HB2 ALA 73 HB2 ALA 73 16.718 15.478 16.520 490 HB3 ALA 73 HB3 ALA 73 17.784 14.731 15.330 491 H THR 74 HN THR 74 17.038 14.358 19.396 492 HA THR 74 HA THR 74 18.037 16.793 20.680 493 HB THR 74 HB THR 74 16.096 16.380 22.273 494 HG1 THR 74 HG1 THR 74 15.934 14.097 21.240 495 HG21 THR 74 HG21 THR 74 14.434 17.293 20.699 496 HG22 THR 74 HG22 THR 74 15.511 16.900 19.358 497 HG23 THR 74 HG23 THR 74 15.997 18.095 20.559 498 H ARG 75 HN ARG 75 19.589 16.558 22.126 499 HA ARG 75 HA ARG 75 19.559 14.184 23.853 500 HB2 ARG 75 HB2 ARG 75 22.047 14.132 23.775 501 HB3 ARG 75 HB1 ARG 75 21.293 13.747 22.237 502 HG2 ARG 75 HG2 ARG 75 22.178 16.544 22.785 503 HG3 ARG 75 HG1 ARG 75 23.361 15.321 22.333 504 HD2 ARG 75 HD2 ARG 75 20.909 16.072 20.746 505 HD3 ARG 75 HD1 ARG 75 22.558 16.579 20.388 506 HE ARG 75 HE ARG 75 22.189 13.719 20.523 507 HH11 ARG 75 HH11 ARG 75 22.130 16.545 18.462 508 HH12 ARG 75 HH12 ARG 75 22.369 15.643 17.002 509 HH21 ARG 75 HH21 ARG 75 22.503 12.526 18.615 510 HH22 ARG 75 HH22 ARG 75 22.580 13.346 17.088 511 H ARG 76 HN ARG 76 18.385 16.471 24.614 512 HA ARG 76 HA ARG 76 20.318 18.057 26.114 513 HB2 ARG 76 HB2 ARG 76 17.325 18.393 25.857 514 HB3 ARG 76 HB1 ARG 76 18.428 19.527 26.620 515 HG2 ARG 76 HG2 ARG 76 18.349 18.782 23.704 516 HG3 ARG 76 HG1 ARG 76 17.841 20.310 24.420 517 HD2 ARG 76 HD2 ARG 76 20.644 19.195 24.397 518 HD3 ARG 76 HD1 ARG 76 20.041 20.514 23.396 519 HE ARG 76 HE ARG 76 19.546 21.386 25.904 520 HH11 ARG 76 HH11 ARG 76 22.420 20.171 24.309 521 HH12 ARG 76 HH12 ARG 76 23.510 21.079 25.305 522 HH21 ARG 76 HH21 ARG 76 20.994 22.592 27.213 523 HH22 ARG 76 HH22 ARG 76 22.705 22.439 26.958 524 H SER 77 HN SER 77 20.978 16.616 27.670 525 HA SER 77 HA SER 77 19.114 15.222 29.344 526 HB2 SER 77 HB2 SER 77 22.056 15.631 29.822 527 HB3 SER 77 HB1 SER 77 21.042 14.325 30.427 528 HG SER 77 HG SER 77 22.295 14.594 28.009 529 H ARG 78 HN ARG 78 17.887 17.082 30.059 530 HA ARG 78 HA ARG 78 19.201 19.023 31.750 531 HB2 ARG 78 HB2 ARG 78 16.959 19.999 32.004 532 HB3 ARG 78 HB1 ARG 78 17.370 19.753 30.314 533 HG2 ARG 78 HG2 ARG 78 15.995 17.738 30.265 534 HG3 ARG 78 HG1 ARG 78 15.597 17.966 31.969 535 HD2 ARG 78 HD2 ARG 78 13.776 18.803 30.678 536 HD3 ARG 78 HD1 ARG 78 14.628 20.182 31.367 537 HE ARG 78 HE ARG 78 15.282 19.368 28.632 538 HH11 ARG 78 HH11 ARG 78 13.792 21.660 30.811 539 HH12 ARG 78 HH12 ARG 78 13.580 22.876 29.594 540 HH21 ARG 78 HH21 ARG 78 15.021 20.965 27.025 541 HH22 ARG 78 HH22 ARG 78 14.277 22.477 27.435 542 H LYS 79 HN LYS 79 19.410 18.919 33.887 543 HA LYS 79 HA LYS 79 19.402 18.097 36.005 544 HB2 LYS 79 HB2 LYS 79 16.495 17.630 35.327 545 HB3 LYS 79 HB1 LYS 79 17.166 17.508 36.946 546 HG2 LYS 79 HG2 LYS 79 17.163 19.988 35.240 547 HG3 LYS 79 HG1 LYS 79 16.047 19.649 36.564 548 HD2 LYS 79 HD2 LYS 79 17.941 19.564 38.123 549 HD3 LYS 79 HD1 LYS 79 19.043 19.925 36.795 550 HE2 LYS 79 HE2 LYS 79 16.812 21.707 37.763 551 HE3 LYS 79 HE1 LYS 79 18.523 21.921 38.119 552 HZ1 LYS 79 HZ1 LYS 79 18.943 22.218 35.762 553 HZ2 LYS 79 HZ2 LYS 79 17.807 23.344 36.306 554 HZ3 LYS 79 HZ3 LYS 79 17.303 22.002 35.413 555 H ALA 80 HN ALA 80 20.269 16.293 34.030 556 HA ALA 80 HA ALA 80 19.321 13.722 35.108 557 HB1 ALA 80 HB1 ALA 80 18.828 13.996 32.724 558 HB2 ALA 80 HB2 ALA 80 19.991 12.699 33.000 559 HB3 ALA 80 HB3 ALA 80 20.542 14.264 32.402 560 H GLU 81 HN GLU 81 20.811 14.005 36.858 561 HA GLU 81 HA GLU 81 23.596 14.294 36.495 562 HB2 GLU 81 HB2 GLU 81 22.457 14.742 38.634 563 HB3 GLU 81 HB1 GLU 81 22.078 13.031 38.787 564 HG2 GLU 81 HG2 GLU 81 24.436 12.496 38.943 565 HG3 GLU 81 HG1 GLU 81 24.854 14.192 38.713 566 H ARG 82 HN ARG 82 25.023 12.897 35.751 567 HA ARG 82 HA ARG 82 24.658 10.042 36.192 568 HB2 ARG 82 HB2 ARG 82 23.627 10.378 34.013 569 HB3 ARG 82 HB1 ARG 82 25.037 11.263 33.448 570 HG2 ARG 82 HG2 ARG 82 26.392 9.252 33.614 571 HG3 ARG 82 HG1 ARG 82 25.006 8.355 34.237 572 HD2 ARG 82 HD2 ARG 82 25.083 9.706 31.544 573 HD3 ARG 82 HD1 ARG 82 25.456 8.004 31.808 574 HE ARG 82 HE ARG 82 22.890 8.820 32.832 575 HH11 ARG 82 HH11 ARG 82 24.629 7.605 30.046 576 HH12 ARG 82 HH12 ARG 82 23.212 6.940 29.296 577 HH21 ARG 82 HH21 ARG 82 21.031 7.951 31.844 578 HH22 ARG 82 HH22 ARG 82 21.164 7.150 30.310 579 H ALA 83 HN ALA 83 26.389 10.314 37.631 580 HA ALA 83 HA ALA 83 28.953 11.131 36.487 581 HB1 ALA 83 HB1 ALA 83 29.770 11.151 38.778 582 HB2 ALA 83 HB2 ALA 83 28.232 10.502 39.347 583 HB3 ALA 83 HB3 ALA 83 28.300 12.115 38.635 584 H LYS 84 HN LYS 84 27.533 8.424 38.311 585 HA LYS 84 HA LYS 84 29.669 6.725 37.208 586 HB2 LYS 84 HB2 LYS 84 29.968 7.001 39.610 587 HB3 LYS 84 HB1 LYS 84 28.306 6.510 39.897 588 HG2 LYS 84 HG2 LYS 84 29.885 4.721 40.404 589 HG3 LYS 84 HG1 LYS 84 28.795 4.277 39.090 590 HD2 LYS 84 HD2 LYS 84 30.533 4.790 37.461 591 HD3 LYS 84 HD1 LYS 84 31.620 5.286 38.758 592 HE2 LYS 84 HE2 LYS 84 32.105 3.016 37.963 593 HE3 LYS 84 HE1 LYS 84 31.619 3.034 39.656 594 HZ1 LYS 84 HZ1 LYS 84 29.834 2.359 37.372 595 HZ2 LYS 84 HZ2 LYS 84 29.421 2.316 39.014 596 HZ3 LYS 84 HZ3 LYS 84 30.569 1.236 38.407 597 H LEU 85 HN LEU 85 28.971 5.256 35.843 598 HA LEU 85 HA LEU 85 26.238 4.229 36.110 599 HB2 LEU 85 HB2 LEU 85 28.221 4.053 33.841 600 HB3 LEU 85 HB1 LEU 85 26.685 3.212 33.856 601 HG LEU 85 HG LEU 85 27.065 6.208 33.873 602 HD11 LEU 85 HD11 LEU 85 27.576 5.176 31.728 603 HD12 LEU 85 HD12 LEU 85 26.079 6.102 31.644 604 HD13 LEU 85 HD13 LEU 85 26.023 4.343 31.749 605 HD21 LEU 85 HD21 LEU 85 25.092 5.613 35.143 606 HD22 LEU 85 HD22 LEU 85 24.552 4.539 33.854 607 HD23 LEU 85 HD23 LEU 85 24.614 6.279 33.582 Start of MODEL 9 1 H1 GLY 11 HT1 GLY 11 -20.777 -4.237 11.618 2 H2 GLY 11 HT2 GLY 11 -21.843 -5.068 12.630 3 H3 GLY 11 HT3 GLY 11 -20.176 -5.272 12.810 4 HA2 GLY 11 HA1 GLY 11 -21.027 -3.844 14.544 5 HA3 GLY 11 HA2 GLY 11 -19.929 -2.974 13.483 6 H ARG 12 HN ARG 12 -20.866 -1.647 11.804 7 HA ARG 12 HA ARG 12 -23.628 -0.821 12.346 8 HB2 ARG 12 HB2 ARG 12 -22.968 1.544 12.137 9 HB3 ARG 12 HB1 ARG 12 -22.169 0.768 13.487 10 HG2 ARG 12 HG2 ARG 12 -20.468 1.986 12.589 11 HG3 ARG 12 HG1 ARG 12 -20.233 0.439 11.782 12 HD2 ARG 12 HD2 ARG 12 -20.026 2.295 10.216 13 HD3 ARG 12 HD1 ARG 12 -21.410 1.276 9.820 14 HE ARG 12 HE ARG 12 -22.348 3.322 11.448 15 HH11 ARG 12 HH11 ARG 12 -20.817 3.029 8.320 16 HH12 ARG 12 HH12 ARG 12 -21.632 4.405 7.647 17 HH21 ARG 12 HH21 ARG 12 -23.401 5.149 10.575 18 HH22 ARG 12 HH22 ARG 12 -23.083 5.618 8.935 19 HA PRO 13 HA PRO 13 -24.238 -1.074 8.050 20 HB2 PRO 13 HB2 PRO 13 -25.939 0.885 7.469 21 HB3 PRO 13 HB1 PRO 13 -26.400 -0.467 8.505 22 HG2 PRO 13 HG2 PRO 13 -25.544 2.297 9.280 23 HG3 PRO 13 HG1 PRO 13 -26.888 1.326 9.910 24 HD2 PRO 13 HD2 PRO 13 -24.492 1.539 11.180 25 HD3 PRO 13 HD1 PRO 13 -25.516 0.095 11.288 26 H GLY 14 HN GLY 14 -22.002 -0.561 7.527 27 HA2 GLY 14 HA2 GLY 14 -21.904 1.821 5.818 28 HA3 GLY 14 HA1 GLY 14 -20.625 1.594 7.005 29 H VAL 15 HN VAL 15 -22.258 -0.903 5.154 30 HA VAL 15 HA VAL 15 -19.890 -2.177 4.361 31 HB VAL 15 HB VAL 15 -21.994 -3.385 4.442 32 HG11 VAL 15 HG11 VAL 15 -23.733 -3.048 2.734 33 HG12 VAL 15 HG12 VAL 15 -22.856 -1.639 2.141 34 HG13 VAL 15 HG13 VAL 15 -23.525 -1.638 3.774 35 HG21 VAL 15 HG21 VAL 15 -21.873 -4.579 2.309 36 HG22 VAL 15 HG22 VAL 15 -20.267 -4.246 2.957 37 HG23 VAL 15 HG23 VAL 15 -20.903 -3.271 1.632 38 H PHE 16 HN PHE 16 -18.581 -1.955 2.657 39 HA PHE 16 HA PHE 16 -17.541 -1.039 0.870 40 HB2 PHE 16 HB2 PHE 16 -19.798 -1.881 -0.155 41 HB3 PHE 16 HB1 PHE 16 -20.178 -0.166 -0.266 42 HD1 PHE 16 HD1 PHE 16 -17.855 -2.795 -1.375 43 HD2 PHE 16 HD2 PHE 16 -19.188 1.205 -1.937 44 HE1 PHE 16 HE1 PHE 16 -16.593 -2.674 -3.481 45 HE2 PHE 16 HE2 PHE 16 -17.927 1.334 -4.046 46 HZ PHE 16 HZ PHE 16 -16.626 -0.610 -4.820 47 H ARG 17 HN ARG 17 -17.640 0.519 3.089 48 HA ARG 17 HA ARG 17 -18.447 3.196 2.479 49 HB2 ARG 17 HB2 ARG 17 -18.259 2.251 4.802 50 HB3 ARG 17 HB1 ARG 17 -16.514 2.251 4.605 51 HG2 ARG 17 HG2 ARG 17 -17.158 4.179 5.868 52 HG3 ARG 17 HG1 ARG 17 -16.592 4.705 4.281 53 HD2 ARG 17 HD2 ARG 17 -18.869 4.963 3.515 54 HD3 ARG 17 HD1 ARG 17 -19.486 4.320 5.036 55 HE ARG 17 HE ARG 17 -18.049 6.436 5.856 56 HH11 ARG 17 HH11 ARG 17 -20.457 6.096 3.336 57 HH12 ARG 17 HH12 ARG 17 -21.036 7.722 3.497 58 HH21 ARG 17 HH21 ARG 17 -18.823 8.566 6.088 59 HH22 ARG 17 HH22 ARG 17 -20.105 9.133 5.066 60 H THR 18 HN THR 18 -17.464 4.177 0.814 61 HA THR 18 HA THR 18 -14.897 3.583 -0.130 62 HB THR 18 HB THR 18 -15.589 6.257 -0.851 63 HG1 THR 18 HG1 THR 18 -17.747 5.440 -1.782 64 HG21 THR 18 HG21 THR 18 -15.886 3.648 -2.348 65 HG22 THR 18 HG22 THR 18 -14.421 4.626 -2.269 66 HG23 THR 18 HG23 THR 18 -15.860 5.258 -3.067 67 H ARG 19 HN ARG 19 -16.013 5.848 2.273 68 HA ARG 19 HA ARG 19 -14.937 7.043 3.867 69 HB2 ARG 19 HB2 ARG 19 -13.555 5.117 4.292 70 HB3 ARG 19 HB1 ARG 19 -12.528 5.492 2.916 71 HG2 ARG 19 HG2 ARG 19 -11.699 7.471 4.023 72 HG3 ARG 19 HG1 ARG 19 -12.802 7.212 5.374 73 HD2 ARG 19 HD2 ARG 19 -10.597 5.323 4.531 74 HD3 ARG 19 HD1 ARG 19 -10.502 6.471 5.868 75 HE ARG 19 HE ARG 19 -12.768 4.914 6.292 76 HH11 ARG 19 HH11 ARG 19 -9.297 4.466 6.153 77 HH12 ARG 19 HH12 ARG 19 -9.299 3.126 7.255 78 HH21 ARG 19 HH21 ARG 19 -12.767 3.158 7.755 79 HH22 ARG 19 HH22 ARG 19 -11.265 2.390 8.172 80 H GLY 20 HN GLY 20 -12.434 6.883 1.373 81 HA2 GLY 20 HA2 GLY 20 -12.905 9.547 0.440 82 HA3 GLY 20 HA1 GLY 20 -11.491 9.452 1.486 83 H LEU 21 HN LEU 21 -12.599 6.870 -0.567 84 HA LEU 21 HA LEU 21 -10.016 6.571 -1.713 85 HB2 LEU 21 HB2 LEU 21 -12.537 5.112 -1.724 86 HB3 LEU 21 HB1 LEU 21 -11.708 5.035 -3.267 87 HG LEU 21 HG LEU 21 -9.659 4.312 -1.981 88 HD11 LEU 21 HD11 LEU 21 -10.148 3.220 0.204 89 HD12 LEU 21 HD12 LEU 21 -11.680 4.096 0.214 90 HD13 LEU 21 HD13 LEU 21 -10.151 4.981 0.206 91 HD21 LEU 21 HD21 LEU 21 -10.617 2.654 -3.210 92 HD22 LEU 21 HD22 LEU 21 -12.128 2.700 -2.310 93 HD23 LEU 21 HD23 LEU 21 -10.691 1.974 -1.583 94 H THR 22 HN THR 22 -9.242 7.825 -3.198 95 HA THR 22 HA THR 22 -10.831 9.230 -5.112 96 HB THR 22 HB THR 22 -8.622 9.812 -6.107 97 HG1 THR 22 HG1 THR 22 -6.787 9.070 -4.677 98 HG21 THR 22 HG21 THR 22 -8.794 10.096 -3.103 99 HG22 THR 22 HG22 THR 22 -9.519 11.178 -4.293 100 HG23 THR 22 HG23 THR 22 -7.764 11.059 -4.163 101 H ASP 23 HN ASP 23 -9.962 8.904 -7.559 102 HA ASP 23 HA ASP 23 -10.901 6.406 -8.397 103 HB2 ASP 23 HB2 ASP 23 -10.839 8.341 -9.899 104 HB3 ASP 23 HB1 ASP 23 -9.078 8.322 -9.874 105 H GLU 24 HN GLU 24 -7.665 7.514 -7.619 106 HA GLU 24 HA GLU 24 -6.266 5.266 -8.629 107 HB2 GLU 24 HB2 GLU 24 -5.457 7.103 -6.362 108 HB3 GLU 24 HB1 GLU 24 -4.389 6.052 -7.276 109 HG2 GLU 24 HG2 GLU 24 -4.897 7.372 -9.303 110 HG3 GLU 24 HG1 GLU 24 -5.859 8.464 -8.307 111 H GLU 25 HN GLU 25 -7.311 6.111 -5.314 112 HA GLU 25 HA GLU 25 -6.384 3.746 -4.093 113 HB2 GLU 25 HB2 GLU 25 -8.761 5.393 -3.222 114 HB3 GLU 25 HB1 GLU 25 -7.816 4.299 -2.231 115 HG2 GLU 25 HG2 GLU 25 -6.675 6.759 -3.509 116 HG3 GLU 25 HG1 GLU 25 -7.359 6.720 -1.883 117 H TYR 26 HN TYR 26 -9.488 4.611 -5.511 118 HA TYR 26 HA TYR 26 -10.814 2.195 -4.879 119 HB2 TYR 26 HB2 TYR 26 -11.913 4.355 -5.543 120 HB3 TYR 26 HB1 TYR 26 -11.383 4.040 -7.185 121 HD1 TYR 26 HD1 TYR 26 -13.511 2.753 -4.456 122 HD2 TYR 26 HD2 TYR 26 -12.573 2.560 -8.598 123 HE1 TYR 26 HE1 TYR 26 -15.505 1.398 -4.835 124 HE2 TYR 26 HE2 TYR 26 -14.557 1.202 -8.995 125 HH TYR 26 HH TYR 26 -16.056 -0.320 -7.702 126 H ASP 27 HN ASP 27 -8.866 3.239 -7.605 127 HA ASP 27 HA ASP 27 -9.335 1.007 -9.267 128 HB2 ASP 27 HB2 ASP 27 -8.268 3.056 -10.118 129 HB3 ASP 27 HB1 ASP 27 -6.905 2.815 -9.038 130 H GLU 28 HN GLU 28 -6.796 1.700 -6.877 131 HA GLU 28 HA GLU 28 -5.408 -0.744 -7.058 132 HB2 GLU 28 HB2 GLU 28 -4.592 1.304 -5.910 133 HB3 GLU 28 HB1 GLU 28 -5.805 1.067 -4.663 134 HG2 GLU 28 HG2 GLU 28 -3.751 0.287 -3.827 135 HG3 GLU 28 HG1 GLU 28 -4.748 -1.123 -4.157 136 H PHE 29 HN PHE 29 -8.175 0.316 -5.156 137 HA PHE 29 HA PHE 29 -8.541 -2.010 -3.642 138 HB2 PHE 29 HB2 PHE 29 -9.726 0.014 -3.079 139 HB3 PHE 29 HB1 PHE 29 -10.524 0.043 -4.648 140 HD1 PHE 29 HD1 PHE 29 -10.080 -2.388 -1.866 141 HD2 PHE 29 HD2 PHE 29 -12.730 -0.523 -4.610 142 HE1 PHE 29 HE1 PHE 29 -11.942 -3.670 -0.916 143 HE2 PHE 29 HE2 PHE 29 -14.608 -1.808 -3.667 144 HZ PHE 29 HZ PHE 29 -14.203 -3.383 -1.810 145 H LYS 30 HN LYS 30 -9.840 -1.102 -6.843 146 HA LYS 30 HA LYS 30 -11.292 -3.488 -7.268 147 HB2 LYS 30 HB2 LYS 30 -9.928 -1.772 -9.360 148 HB3 LYS 30 HB1 LYS 30 -11.223 -2.924 -9.648 149 HG2 LYS 30 HG2 LYS 30 -12.641 -1.504 -8.110 150 HG3 LYS 30 HG1 LYS 30 -11.367 -0.298 -8.205 151 HD2 LYS 30 HD2 LYS 30 -12.709 -1.461 -10.632 152 HD3 LYS 30 HD1 LYS 30 -13.286 -0.009 -9.818 153 HE2 LYS 30 HE2 LYS 30 -11.182 1.103 -10.239 154 HE3 LYS 30 HE1 LYS 30 -10.521 -0.365 -10.954 155 HZ1 LYS 30 HZ1 LYS 30 -12.170 -0.219 -12.707 156 HZ2 LYS 30 HZ2 LYS 30 -11.259 1.202 -12.644 157 HZ3 LYS 30 HZ3 LYS 30 -12.825 1.176 -12.014 158 H LYS 31 HN LYS 31 -8.031 -2.514 -8.139 159 HA LYS 31 HA LYS 31 -7.101 -4.802 -9.377 160 HB2 LYS 31 HB2 LYS 31 -5.882 -2.704 -9.299 161 HB3 LYS 31 HB1 LYS 31 -5.673 -2.863 -7.562 162 HG2 LYS 31 HG2 LYS 31 -4.312 -4.834 -7.907 163 HG3 LYS 31 HG1 LYS 31 -4.508 -4.684 -9.650 164 HD2 LYS 31 HD2 LYS 31 -3.234 -2.628 -7.847 165 HD3 LYS 31 HD1 LYS 31 -2.359 -3.767 -8.871 166 HE2 LYS 31 HE2 LYS 31 -3.368 -2.785 -10.855 167 HE3 LYS 31 HE1 LYS 31 -4.305 -1.683 -9.851 168 HZ1 LYS 31 HZ1 LYS 31 -2.324 -0.637 -10.796 169 HZ2 LYS 31 HZ2 LYS 31 -1.341 -1.752 -9.990 170 HZ3 LYS 31 HZ3 LYS 31 -2.278 -0.655 -9.106 171 H ARG 32 HN ARG 32 -7.146 -3.976 -5.950 172 HA ARG 32 HA ARG 32 -5.977 -6.386 -5.032 173 HB2 ARG 32 HB2 ARG 32 -7.535 -4.204 -3.727 174 HB3 ARG 32 HB1 ARG 32 -6.986 -5.594 -2.816 175 HG2 ARG 32 HG2 ARG 32 -4.688 -5.061 -3.342 176 HG3 ARG 32 HG1 ARG 32 -5.209 -3.709 -4.350 177 HD2 ARG 32 HD2 ARG 32 -6.237 -2.678 -2.373 178 HD3 ARG 32 HD1 ARG 32 -5.634 -4.004 -1.382 179 HE ARG 32 HE ARG 32 -3.710 -2.408 -2.903 180 HH11 ARG 32 HH11 ARG 32 -5.097 -3.317 0.181 181 HH12 ARG 32 HH12 ARG 32 -3.834 -2.558 1.112 182 HH21 ARG 32 HH21 ARG 32 -2.060 -1.398 -1.664 183 HH22 ARG 32 HH22 ARG 32 -2.137 -1.465 0.069 184 H ARG 33 HN ARG 33 -9.322 -5.286 -5.319 185 HA ARG 33 HA ARG 33 -10.482 -7.548 -4.077 186 HB2 ARG 33 HB2 ARG 33 -11.683 -5.442 -4.255 187 HB3 ARG 33 HB1 ARG 33 -11.667 -5.540 -6.005 188 HG2 ARG 33 HG2 ARG 33 -13.267 -7.205 -6.051 189 HG3 ARG 33 HG1 ARG 33 -12.964 -7.693 -4.390 190 HD2 ARG 33 HD2 ARG 33 -13.964 -5.672 -3.565 191 HD3 ARG 33 HD1 ARG 33 -14.188 -5.056 -5.199 192 HE ARG 33 HE ARG 33 -15.457 -7.603 -4.581 193 HH11 ARG 33 HH11 ARG 33 -15.831 -4.132 -4.875 194 HH12 ARG 33 HH12 ARG 33 -17.561 -4.202 -4.961 195 HH21 ARG 33 HH21 ARG 33 -17.731 -7.693 -4.713 196 HH22 ARG 33 HH22 ARG 33 -18.641 -6.222 -4.867 197 H GLU 34 HN GLU 34 -9.569 -6.823 -7.374 198 HA GLU 34 HA GLU 34 -10.707 -9.039 -8.652 199 HB2 GLU 34 HB2 GLU 34 -9.714 -7.164 -9.860 200 HB3 GLU 34 HB1 GLU 34 -8.125 -7.578 -9.235 201 HG2 GLU 34 HG2 GLU 34 -8.149 -9.659 -10.472 202 HG3 GLU 34 HG1 GLU 34 -9.781 -9.316 -11.048 203 H SER 35 HN SER 35 -7.647 -8.661 -6.933 204 HA SER 35 HA SER 35 -6.583 -11.209 -7.485 205 HB2 SER 35 HB2 SER 35 -5.249 -9.326 -6.584 206 HB3 SER 35 HB1 SER 35 -6.111 -9.461 -5.052 207 HG SER 35 HG SER 35 -4.050 -10.964 -6.055 208 H ARG 36 HN ARG 36 -8.951 -10.099 -5.201 209 HA ARG 36 HA ARG 36 -8.954 -12.653 -3.789 210 HB2 ARG 36 HB2 ARG 36 -10.193 -9.984 -3.311 211 HB3 ARG 36 HB1 ARG 36 -10.922 -11.387 -2.564 212 HG2 ARG 36 HG2 ARG 36 -9.517 -10.745 -0.895 213 HG3 ARG 36 HG1 ARG 36 -8.442 -11.830 -1.783 214 HD2 ARG 36 HD2 ARG 36 -7.603 -9.837 -3.020 215 HD3 ARG 36 HD1 ARG 36 -8.571 -8.835 -1.950 216 HE ARG 36 HE ARG 36 -7.107 -10.267 -0.212 217 HH11 ARG 36 HH11 ARG 36 -6.230 -8.427 -3.059 218 HH12 ARG 36 HH12 ARG 36 -4.658 -8.002 -2.460 219 HH21 ARG 36 HH21 ARG 36 -5.043 -9.699 0.583 220 HH22 ARG 36 HH22 ARG 36 -3.986 -8.722 -0.385 221 H GLY 37 HN GLY 37 -10.024 -11.886 -6.646 222 HA2 GLY 37 HA2 GLY 37 -11.620 -12.786 -8.026 223 HA3 GLY 37 HA1 GLY 37 -12.011 -13.898 -6.724 224 H GLY 38 HN GLY 38 -12.186 -10.442 -6.302 225 HA2 GLY 38 HA2 GLY 38 -14.063 -9.035 -6.401 226 HA3 GLY 38 HA1 GLY 38 -15.077 -10.437 -6.691 227 H LYS 39 HN LYS 39 -13.443 -11.656 -4.334 228 HA LYS 39 HA LYS 39 -15.327 -10.777 -2.308 229 HB2 LYS 39 HB2 LYS 39 -13.468 -13.092 -2.517 230 HB3 LYS 39 HB1 LYS 39 -14.244 -12.662 -0.993 231 HG2 LYS 39 HG2 LYS 39 -16.433 -12.770 -2.114 232 HG3 LYS 39 HG1 LYS 39 -15.617 -13.313 -3.579 233 HD2 LYS 39 HD2 LYS 39 -14.742 -15.235 -2.351 234 HD3 LYS 39 HD1 LYS 39 -15.594 -14.677 -0.913 235 HE2 LYS 39 HE2 LYS 39 -17.729 -14.930 -2.060 236 HE3 LYS 39 HE1 LYS 39 -16.893 -15.444 -3.523 237 HZ1 LYS 39 HZ1 LYS 39 -17.758 -17.323 -2.285 238 HZ2 LYS 39 HZ2 LYS 39 -16.858 -16.878 -0.925 239 HZ3 LYS 39 HZ3 LYS 39 -16.069 -17.371 -2.335 240 H TYR 40 HN TYR 40 -14.247 -8.655 -2.221 241 HA TYR 40 HA TYR 40 -12.210 -8.600 -0.155 242 HB2 TYR 40 HB2 TYR 40 -10.968 -8.679 -2.323 243 HB3 TYR 40 HB1 TYR 40 -11.779 -7.193 -2.790 244 HD1 TYR 40 HD2 TYR 40 -9.949 -8.401 0.236 245 HD2 TYR 40 HD1 TYR 40 -10.403 -5.352 -2.687 246 HE1 TYR 40 HE2 TYR 40 -8.174 -7.105 1.325 247 HE2 TYR 40 HE1 TYR 40 -8.608 -4.056 -1.621 248 HH TYR 40 HH TYR 40 -6.555 -5.374 0.761 249 H SER 41 HN SER 41 -13.359 -7.406 1.261 250 HA SER 41 HA SER 41 -15.171 -5.377 0.396 251 HB2 SER 41 HB2 SER 41 -14.476 -5.110 3.120 252 HB3 SER 41 HB1 SER 41 -16.004 -5.610 2.431 253 HG SER 41 HG SER 41 -14.012 -7.135 3.556 254 H ILE 42 HN ILE 42 -15.093 -3.175 1.186 255 HA ILE 42 HA ILE 42 -12.640 -1.931 0.514 256 HB ILE 42 HB ILE 42 -14.998 -0.986 0.320 257 HG12 ILE 42 HG12 ILE 42 -13.823 1.339 1.247 258 HG13 ILE 42 HG11 ILE 42 -12.452 0.284 0.924 259 HG21 ILE 42 HG21 ILE 42 -15.777 0.378 2.184 260 HG22 ILE 42 HG22 ILE 42 -14.407 -0.164 3.158 261 HG23 ILE 42 HG23 ILE 42 -15.652 -1.316 2.663 262 HD11 ILE 42 HD11 ILE 42 -14.592 1.034 -1.035 263 HD12 ILE 42 HD12 ILE 42 -13.218 -0.029 -1.352 264 HD13 ILE 42 HD13 ILE 42 -12.947 1.671 -0.973 265 H ASP 43 HN ASP 43 -14.113 -2.916 3.534 266 HA ASP 43 HA ASP 43 -12.499 -1.250 5.181 267 HB2 ASP 43 HB2 ASP 43 -13.346 -2.555 7.047 268 HB3 ASP 43 HB1 ASP 43 -14.662 -2.210 5.927 269 H ASP 44 HN ASP 44 -12.139 -4.431 3.800 270 HA ASP 44 HA ASP 44 -9.799 -5.228 5.164 271 HB2 ASP 44 HB2 ASP 44 -11.297 -6.546 3.479 272 HB3 ASP 44 HB1 ASP 44 -10.285 -5.811 2.251 273 H TYR 45 HN TYR 45 -10.396 -3.375 2.232 274 HA TYR 45 HA TYR 45 -7.707 -2.766 1.635 275 HB2 TYR 45 HB2 TYR 45 -9.415 -2.527 -0.061 276 HB3 TYR 45 HB1 TYR 45 -10.283 -1.323 0.898 277 HD1 TYR 45 HD2 TYR 45 -7.103 -1.972 -0.890 278 HD2 TYR 45 HD1 TYR 45 -9.722 0.969 0.714 279 HE1 TYR 45 HE2 TYR 45 -5.757 -0.219 -1.956 280 HE2 TYR 45 HE1 TYR 45 -8.364 2.746 -0.347 281 HH TYR 45 HH TYR 45 -6.008 3.029 -1.148 282 H LEU 46 HN LEU 46 -10.224 -0.946 3.309 283 HA LEU 46 HA LEU 46 -8.829 1.425 3.737 284 HB2 LEU 46 HB2 LEU 46 -11.069 0.134 5.285 285 HB3 LEU 46 HB1 LEU 46 -10.524 1.768 5.563 286 HG LEU 46 HG LEU 46 -11.683 0.758 2.967 287 HD11 LEU 46 HD11 LEU 46 -13.617 2.110 3.559 288 HD12 LEU 46 HD12 LEU 46 -12.875 2.517 5.106 289 HD13 LEU 46 HD13 LEU 46 -13.338 0.850 4.761 290 HD21 LEU 46 HD21 LEU 46 -10.097 2.559 2.623 291 HD22 LEU 46 HD22 LEU 46 -10.893 3.521 3.868 292 HD23 LEU 46 HD23 LEU 46 -11.744 3.137 2.373 293 H ALA 47 HN ALA 47 -8.950 -1.516 5.699 294 HA ALA 47 HA ALA 47 -7.582 -0.454 7.943 295 HB1 ALA 47 HB1 ALA 47 -8.887 -2.537 8.019 296 HB2 ALA 47 HB2 ALA 47 -7.234 -2.778 8.585 297 HB3 ALA 47 HB3 ALA 47 -7.697 -3.310 6.970 298 H ASP 48 HN ASP 48 -6.481 -2.037 4.989 299 HA ASP 48 HA ASP 48 -3.711 -1.899 5.748 300 HB2 ASP 48 HB2 ASP 48 -4.584 -3.613 4.169 301 HB3 ASP 48 HB1 ASP 48 -4.917 -2.334 3.007 302 H ARG 49 HN ARG 49 -5.987 0.022 3.937 303 HA ARG 49 HA ARG 49 -4.281 1.915 2.796 304 HB2 ARG 49 HB2 ARG 49 -6.728 1.682 2.344 305 HB3 ARG 49 HB1 ARG 49 -7.043 2.412 3.911 306 HG2 ARG 49 HG2 ARG 49 -5.952 4.444 3.216 307 HG3 ARG 49 HG1 ARG 49 -5.549 3.721 1.661 308 HD2 ARG 49 HD2 ARG 49 -7.994 3.442 1.266 309 HD3 ARG 49 HD1 ARG 49 -8.290 4.397 2.716 310 HE ARG 49 HE ARG 49 -6.824 5.402 0.345 311 HH11 ARG 49 HH11 ARG 49 -9.002 5.897 3.044 312 HH12 ARG 49 HH12 ARG 49 -9.285 7.567 2.676 313 HH21 ARG 49 HH21 ARG 49 -7.201 7.602 -0.149 314 HH22 ARG 49 HH22 ARG 49 -8.269 8.533 0.849 315 H GLU 50 HN GLU 50 -5.655 1.635 6.006 316 HA GLU 50 HA GLU 50 -4.730 4.053 7.104 317 HB2 GLU 50 HB2 GLU 50 -5.371 1.371 8.334 318 HB3 GLU 50 HB1 GLU 50 -4.899 2.771 9.295 319 HG2 GLU 50 HG2 GLU 50 -7.286 2.613 7.471 320 HG3 GLU 50 HG1 GLU 50 -7.317 2.459 9.226 321 H ARG 51 HN ARG 51 -3.135 1.090 6.351 322 HA ARG 51 HA ARG 51 -0.811 1.681 7.988 323 HB2 ARG 51 HB2 ARG 51 -1.490 -0.585 6.152 324 HB3 ARG 51 HB1 ARG 51 0.066 -0.425 6.958 325 HG2 ARG 51 HG2 ARG 51 -1.552 -0.143 9.067 326 HG3 ARG 51 HG1 ARG 51 -2.558 -1.174 8.046 327 HD2 ARG 51 HD2 ARG 51 -0.718 -2.743 7.808 328 HD3 ARG 51 HD1 ARG 51 0.297 -1.694 8.794 329 HE ARG 51 HE ARG 51 -1.985 -2.344 10.276 330 HH11 ARG 51 HH11 ARG 51 0.817 -3.918 8.907 331 HH12 ARG 51 HH12 ARG 51 0.921 -5.120 10.151 332 HH21 ARG 51 HH21 ARG 51 -1.859 -3.930 11.937 333 HH22 ARG 51 HH22 ARG 51 -0.593 -5.119 11.883 334 H GLU 52 HN GLU 52 -1.890 1.986 4.731 335 HA GLU 52 HA GLU 52 0.525 1.867 3.369 336 HB2 GLU 52 HB2 GLU 52 -1.988 3.361 2.676 337 HB3 GLU 52 HB1 GLU 52 -0.616 3.194 1.587 338 HG2 GLU 52 HG2 GLU 52 -0.868 0.699 1.858 339 HG3 GLU 52 HG1 GLU 52 -2.401 1.035 2.654 340 H GLU 53 HN GLU 53 -0.700 4.411 5.350 341 HA GLU 53 HA GLU 53 0.683 6.591 4.293 342 HB2 GLU 53 HB2 GLU 53 -0.049 5.952 7.149 343 HB3 GLU 53 HB1 GLU 53 0.622 7.496 6.639 344 HG2 GLU 53 HG2 GLU 53 -1.302 7.782 5.114 345 HG3 GLU 53 HG1 GLU 53 -1.986 6.285 5.750 346 H GLU 54 HN GLU 54 1.801 4.023 6.464 347 HA GLU 54 HA GLU 54 4.441 5.231 6.624 348 HB2 GLU 54 HB2 GLU 54 5.034 3.371 8.075 349 HB3 GLU 54 HB1 GLU 54 3.512 4.076 8.603 350 HG2 GLU 54 HG2 GLU 54 2.273 2.274 7.607 351 HG3 GLU 54 HG1 GLU 54 3.744 1.601 6.909 352 H LEU 55 HN LEU 55 2.749 3.125 4.610 353 HA LEU 55 HA LEU 55 5.038 1.552 3.785 354 HB2 LEU 55 HB2 LEU 55 2.247 1.635 2.646 355 HB3 LEU 55 HB1 LEU 55 3.485 0.469 2.237 356 HG LEU 55 HG LEU 55 2.207 0.767 4.956 357 HD11 LEU 55 HD11 LEU 55 1.155 -1.377 4.454 358 HD12 LEU 55 HD12 LEU 55 1.864 -1.353 2.839 359 HD13 LEU 55 HD13 LEU 55 0.668 -0.142 3.296 360 HD21 LEU 55 HD21 LEU 55 4.208 -1.227 3.898 361 HD22 LEU 55 HD22 LEU 55 3.382 -1.342 5.451 362 HD23 LEU 55 HD23 LEU 55 4.492 -0.008 5.141 363 H LEU 56 HN LEU 56 3.540 4.483 2.874 364 HA LEU 56 HA LEU 56 4.409 4.575 0.169 365 HB2 LEU 56 HB2 LEU 56 3.884 6.840 2.100 366 HB3 LEU 56 HB1 LEU 56 4.094 7.017 0.370 367 HG LEU 56 HG LEU 56 1.838 5.526 1.711 368 HD11 LEU 56 HD11 LEU 56 0.453 7.378 0.925 369 HD12 LEU 56 HD12 LEU 56 1.889 8.198 0.315 370 HD13 LEU 56 HD13 LEU 56 1.693 7.932 2.048 371 HD21 LEU 56 HD21 LEU 56 0.865 5.441 -0.537 372 HD22 LEU 56 HD22 LEU 56 2.397 4.572 -0.458 373 HD23 LEU 56 HD23 LEU 56 2.329 6.172 -1.195 374 H GLU 57 HN GLU 57 5.611 6.485 2.887 375 HA GLU 57 HA GLU 57 8.358 5.856 2.167 376 HB2 GLU 57 HB2 GLU 57 8.949 8.271 2.309 377 HB3 GLU 57 HB1 GLU 57 7.931 7.871 0.933 378 HG2 GLU 57 HG2 GLU 57 5.971 8.682 2.189 379 HG3 GLU 57 HG1 GLU 57 7.048 9.166 3.498 380 H ARG 58 HN ARG 58 9.766 5.941 3.903 381 HA ARG 58 HA ARG 58 8.603 6.742 6.475 382 HB2 ARG 58 HB2 ARG 58 8.565 4.270 6.211 383 HB3 ARG 58 HB1 ARG 58 10.308 4.288 5.994 384 HG2 ARG 58 HG2 ARG 58 10.681 4.940 8.228 385 HG3 ARG 58 HG1 ARG 58 8.982 5.347 8.468 386 HD2 ARG 58 HD2 ARG 58 9.528 3.236 9.545 387 HD3 ARG 58 HD1 ARG 58 8.377 2.996 8.233 388 HE ARG 58 HE ARG 58 10.975 2.599 7.247 389 HH11 ARG 58 HH11 ARG 58 8.668 1.111 9.409 390 HH12 ARG 58 HH12 ARG 58 9.288 -0.492 9.179 391 HH21 ARG 58 HH21 ARG 58 11.806 0.480 6.935 392 HH22 ARG 58 HH22 ARG 58 11.059 -0.853 7.773 393 H ASP 59 HN ASP 59 9.668 8.516 6.952 394 HA ASP 59 HA ASP 59 12.290 9.114 6.036 395 HB2 ASP 59 HB2 ASP 59 12.063 11.171 7.291 396 HB3 ASP 59 HB1 ASP 59 10.545 10.818 6.474 397 H GLU 60 HN GLU 60 11.288 7.137 8.512 398 HA GLU 60 HA GLU 60 13.575 7.659 10.233 399 HB2 GLU 60 HB2 GLU 60 11.213 6.985 11.008 400 HB3 GLU 60 HB1 GLU 60 11.650 5.361 10.499 401 HG2 GLU 60 HG2 GLU 60 12.012 5.627 12.870 402 HG3 GLU 60 HG1 GLU 60 13.553 5.402 12.039 403 H GLU 61 HN GLU 61 12.976 5.958 7.423 404 HA GLU 61 HA GLU 61 14.305 3.501 7.966 405 HB2 GLU 61 HB2 GLU 61 12.625 3.751 6.187 406 HB3 GLU 61 HB1 GLU 61 13.698 4.842 5.324 407 HG2 GLU 61 HG2 GLU 61 13.743 2.641 4.332 408 HG3 GLU 61 HG1 GLU 61 15.311 3.031 5.035 409 H GLU 62 HN GLU 62 15.313 5.983 5.607 410 HA GLU 62 HA GLU 62 17.886 6.453 6.524 411 HB2 GLU 62 HB2 GLU 62 18.114 3.960 6.120 412 HB3 GLU 62 HB1 GLU 62 17.905 4.296 4.408 413 HG2 GLU 62 HG2 GLU 62 19.910 5.538 4.311 414 HG3 GLU 62 HG1 GLU 62 20.057 5.563 6.067 415 H ALA 63 HN ALA 63 16.035 5.721 3.606 416 HA ALA 63 HA ALA 63 17.179 8.014 2.215 417 HB1 ALA 63 HB1 ALA 63 15.108 5.996 1.342 418 HB2 ALA 63 HB2 ALA 63 16.828 5.950 0.954 419 HB3 ALA 63 HB3 ALA 63 15.816 7.247 0.320 420 H ILE 64 HN ILE 64 14.917 8.838 0.782 421 HA ILE 64 HA ILE 64 12.854 9.787 0.820 422 HB ILE 64 HB ILE 64 12.676 8.882 3.690 423 HG12 ILE 64 HG12 ILE 64 10.833 7.465 2.172 424 HG13 ILE 64 HG11 ILE 64 12.253 7.539 1.134 425 HG21 ILE 64 HG21 ILE 64 10.516 9.953 1.884 426 HG22 ILE 64 HG22 ILE 64 11.236 10.802 3.252 427 HG23 ILE 64 HG23 ILE 64 10.293 9.337 3.521 428 HD11 ILE 64 HD11 ILE 64 12.109 6.431 3.925 429 HD12 ILE 64 HD12 ILE 64 13.600 6.629 3.007 430 HD13 ILE 64 HD13 ILE 64 12.344 5.532 2.426 431 H PHE 65 HN PHE 65 14.415 10.423 3.952 432 HA PHE 65 HA PHE 65 13.282 13.066 3.989 433 HB2 PHE 65 HB2 PHE 65 14.476 13.335 6.145 434 HB3 PHE 65 HB1 PHE 65 13.455 11.906 6.086 435 HD1 PHE 65 HD2 PHE 65 14.455 9.683 5.914 436 HD2 PHE 65 HD1 PHE 65 16.843 13.160 6.434 437 HE1 PHE 65 HE2 PHE 65 16.333 8.273 6.617 438 HE2 PHE 65 HE1 PHE 65 18.734 11.758 7.151 439 HZ PHE 65 HZ PHE 65 18.483 9.312 7.246 440 H GLY 66 HN GLY 66 16.507 11.735 3.416 441 HA2 GLY 66 HA2 GLY 66 17.550 14.453 3.104 442 HA3 GLY 66 HA1 GLY 66 18.507 12.980 3.158 443 H ASP 67 HN ASP 67 18.437 11.577 1.308 444 HA ASP 67 HA ASP 67 17.452 12.716 -1.184 445 HB2 ASP 67 HB2 ASP 67 19.627 13.671 -1.209 446 HB3 ASP 67 HB1 ASP 67 20.365 12.197 -0.590 447 H GLY 68 HN GLY 68 19.564 10.150 0.047 448 HA2 GLY 68 HA2 GLY 68 17.683 8.131 -0.837 449 HA3 GLY 68 HA1 GLY 68 19.233 8.136 -1.673 450 H PHE 69 HN PHE 69 18.909 5.870 -0.500 451 HA PHE 69 HA PHE 69 19.751 5.968 2.261 452 HB2 PHE 69 HB2 PHE 69 19.744 3.498 2.143 453 HB3 PHE 69 HB1 PHE 69 18.217 4.200 1.626 454 HD1 PHE 69 HD1 PHE 69 21.245 2.439 0.534 455 HD2 PHE 69 HD2 PHE 69 17.453 3.976 -0.629 456 HE1 PHE 69 HE1 PHE 69 21.361 1.139 -1.549 457 HE2 PHE 69 HE2 PHE 69 17.567 2.681 -2.717 458 HZ PHE 69 HZ PHE 69 19.520 1.261 -3.180 459 H GLY 70 HN GLY 70 21.650 4.473 2.870 460 HA2 GLY 70 HA2 GLY 70 23.824 3.727 1.678 461 HA3 GLY 70 HA1 GLY 70 23.915 5.427 1.246 462 H LEU 71 HN LEU 71 22.828 4.000 4.277 463 HA LEU 71 HA LEU 71 25.182 5.151 5.622 464 HB2 LEU 71 HB2 LEU 71 22.342 5.113 6.659 465 HB3 LEU 71 HB1 LEU 71 23.740 5.674 7.551 466 HG LEU 71 HG LEU 71 22.665 6.948 5.032 467 HD11 LEU 71 HD11 LEU 71 21.155 7.251 6.917 468 HD12 LEU 71 HD12 LEU 71 21.963 8.765 6.511 469 HD13 LEU 71 HD13 LEU 71 22.492 7.830 7.910 470 HD21 LEU 71 HD21 LEU 71 25.067 7.250 5.255 471 HD22 LEU 71 HD22 LEU 71 24.859 7.811 6.914 472 HD23 LEU 71 HD23 LEU 71 24.223 8.764 5.573 473 H LYS 72 HN LYS 72 22.397 3.005 6.240 474 HA LYS 72 HA LYS 72 24.265 1.061 7.413 475 HB2 LYS 72 HB2 LYS 72 21.305 1.480 7.779 476 HB3 LYS 72 HB1 LYS 72 22.112 0.007 8.294 477 HG2 LYS 72 HG2 LYS 72 23.549 1.306 9.776 478 HG3 LYS 72 HG1 LYS 72 22.747 2.789 9.253 479 HD2 LYS 72 HD2 LYS 72 20.659 2.059 10.188 480 HD3 LYS 72 HD1 LYS 72 21.327 0.466 10.550 481 HE2 LYS 72 HE2 LYS 72 21.196 1.883 12.548 482 HE3 LYS 72 HE1 LYS 72 22.858 1.446 12.155 483 HZ1 LYS 72 HZ1 LYS 72 23.147 3.616 11.139 484 HZ2 LYS 72 HZ2 LYS 72 22.679 3.771 12.754 485 HZ3 LYS 72 HZ3 LYS 72 21.554 4.035 11.519 486 H ALA 73 HN ALA 73 22.039 1.658 4.840 487 HA ALA 73 HA ALA 73 21.935 -1.129 4.026 488 HB1 ALA 73 HB1 ALA 73 20.520 -0.344 2.206 489 HB2 ALA 73 HB2 ALA 73 20.852 1.330 2.655 490 HB3 ALA 73 HB3 ALA 73 19.954 0.284 3.754 491 H THR 74 HN THR 74 24.515 -0.034 4.165 492 HA THR 74 HA THR 74 25.327 -0.236 1.355 493 HB THR 74 HB THR 74 27.314 1.303 2.365 494 HG1 THR 74 HG1 THR 74 26.312 1.733 4.322 495 HG21 THR 74 HG21 THR 74 26.266 1.751 0.264 496 HG22 THR 74 HG22 THR 74 26.142 3.217 1.238 497 HG23 THR 74 HG23 THR 74 24.743 2.162 1.048 498 H ARG 75 HN ARG 75 27.897 -0.452 1.411 499 HA ARG 75 HA ARG 75 29.712 -1.712 1.887 500 HB2 ARG 75 HB2 ARG 75 28.445 -1.951 4.617 501 HB3 ARG 75 HB1 ARG 75 30.066 -2.501 4.217 502 HG2 ARG 75 HG2 ARG 75 29.096 0.344 4.027 503 HG3 ARG 75 HG1 ARG 75 30.073 -0.325 5.338 504 HD2 ARG 75 HD2 ARG 75 30.854 -0.060 2.437 505 HD3 ARG 75 HD1 ARG 75 31.509 0.848 3.798 506 HE ARG 75 HE ARG 75 32.141 -1.589 4.559 507 HH11 ARG 75 HH11 ARG 75 32.390 -0.142 1.383 508 HH12 ARG 75 HH12 ARG 75 33.696 -1.165 0.874 509 HH21 ARG 75 HH21 ARG 75 33.872 -2.936 3.894 510 HH22 ARG 75 HH22 ARG 75 34.538 -2.754 2.302 511 H ARG 76 HN ARG 76 26.965 -2.831 1.134 512 HA ARG 76 HA ARG 76 27.591 -5.658 1.663 513 HB2 ARG 76 HB2 ARG 76 24.917 -4.563 0.781 514 HB3 ARG 76 HB1 ARG 76 25.268 -6.165 1.414 515 HG2 ARG 76 HG2 ARG 76 25.707 -5.272 3.598 516 HG3 ARG 76 HG1 ARG 76 25.548 -3.622 2.996 517 HD2 ARG 76 HD2 ARG 76 23.174 -4.277 2.330 518 HD3 ARG 76 HD1 ARG 76 23.413 -5.705 3.339 519 HE ARG 76 HE ARG 76 23.993 -3.162 4.605 520 HH11 ARG 76 HH11 ARG 76 21.649 -5.717 4.113 521 HH12 ARG 76 HH12 ARG 76 20.651 -5.221 5.444 522 HH21 ARG 76 HH21 ARG 76 22.686 -2.517 6.347 523 HH22 ARG 76 HH22 ARG 76 21.239 -3.408 6.712 524 H SER 77 HN SER 77 27.879 -7.002 -0.064 525 HA SER 77 HA SER 77 28.491 -5.691 -2.547 526 HB2 SER 77 HB2 SER 77 28.681 -8.604 -1.804 527 HB3 SER 77 HB1 SER 77 29.408 -7.851 -3.220 528 HG SER 77 HG SER 77 30.379 -6.403 -1.449 529 H ARG 78 HN ARG 78 26.056 -5.135 -2.621 530 HA ARG 78 HA ARG 78 24.275 -7.204 -3.463 531 HB2 ARG 78 HB2 ARG 78 22.724 -5.336 -3.982 532 HB3 ARG 78 HB1 ARG 78 23.359 -5.284 -2.346 533 HG2 ARG 78 HG2 ARG 78 24.918 -3.540 -2.974 534 HG3 ARG 78 HG1 ARG 78 24.368 -3.629 -4.650 535 HD2 ARG 78 HD2 ARG 78 23.349 -1.746 -3.477 536 HD3 ARG 78 HD1 ARG 78 22.137 -2.930 -3.965 537 HE ARG 78 HE ARG 78 23.019 -3.424 -1.312 538 HH11 ARG 78 HH11 ARG 78 21.007 -1.279 -3.203 539 HH12 ARG 78 HH12 ARG 78 19.936 -0.911 -1.888 540 HH21 ARG 78 HH21 ARG 78 21.628 -2.930 0.434 541 HH22 ARG 78 HH22 ARG 78 20.297 -1.842 0.191 542 H LYS 79 HN LYS 79 26.540 -5.132 -5.070 543 HA LYS 79 HA LYS 79 25.375 -5.513 -7.677 544 HB2 LYS 79 HB2 LYS 79 27.337 -4.389 -8.550 545 HB3 LYS 79 HB1 LYS 79 26.707 -3.504 -7.173 546 HG2 LYS 79 HG2 LYS 79 28.461 -4.485 -5.761 547 HG3 LYS 79 HG1 LYS 79 29.106 -5.321 -7.174 548 HD2 LYS 79 HD2 LYS 79 29.508 -3.177 -8.270 549 HD3 LYS 79 HD1 LYS 79 28.837 -2.330 -6.875 550 HE2 LYS 79 HE2 LYS 79 30.624 -3.264 -5.473 551 HE3 LYS 79 HE1 LYS 79 31.303 -4.066 -6.888 552 HZ1 LYS 79 HZ1 LYS 79 32.463 -2.012 -6.430 553 HZ2 LYS 79 HZ2 LYS 79 31.022 -1.135 -6.513 554 HZ3 LYS 79 HZ3 LYS 79 31.634 -1.882 -7.899 555 H ALA 80 HN ALA 80 26.928 -7.526 -5.616 556 HA ALA 80 HA ALA 80 28.082 -9.147 -7.785 557 HB1 ALA 80 HB1 ALA 80 28.542 -9.372 -4.811 558 HB2 ALA 80 HB2 ALA 80 29.626 -8.581 -5.954 559 HB3 ALA 80 HB3 ALA 80 29.342 -10.318 -6.067 560 H GLU 81 HN GLU 81 25.242 -8.754 -6.576 561 HA GLU 81 HA GLU 81 24.640 -11.572 -6.011 562 HB2 GLU 81 HB2 GLU 81 22.937 -9.110 -5.584 563 HB3 GLU 81 HB1 GLU 81 22.518 -10.748 -5.102 564 HG2 GLU 81 HG2 GLU 81 24.895 -9.233 -4.053 565 HG3 GLU 81 HG1 GLU 81 23.329 -9.314 -3.249 566 H ARG 82 HN ARG 82 25.139 -10.297 -8.674 567 HA ARG 82 HA ARG 82 22.535 -10.897 -9.897 568 HB2 ARG 82 HB2 ARG 82 24.590 -8.872 -10.789 569 HB3 ARG 82 HB1 ARG 82 23.162 -9.312 -11.713 570 HG2 ARG 82 HG2 ARG 82 21.735 -8.476 -9.928 571 HG3 ARG 82 HG1 ARG 82 23.159 -8.065 -8.973 572 HD2 ARG 82 HD2 ARG 82 22.443 -6.911 -11.666 573 HD3 ARG 82 HD1 ARG 82 22.239 -6.104 -10.112 574 HE ARG 82 HE ARG 82 24.928 -6.976 -10.857 575 HH11 ARG 82 HH11 ARG 82 22.637 -4.357 -10.496 576 HH12 ARG 82 HH12 ARG 82 23.856 -3.123 -10.500 577 HH21 ARG 82 HH21 ARG 82 26.538 -5.353 -10.850 578 HH22 ARG 82 HH22 ARG 82 26.069 -3.687 -10.691 579 H ALA 83 HN ALA 83 23.290 -13.096 -10.012 580 HA ALA 83 HA ALA 83 25.552 -13.763 -11.652 581 HB1 ALA 83 HB1 ALA 83 24.824 -16.069 -11.370 582 HB2 ALA 83 HB2 ALA 83 23.302 -15.516 -10.672 583 HB3 ALA 83 HB3 ALA 83 24.819 -15.223 -9.824 584 H LYS 84 HN LYS 84 24.539 -12.204 -13.300 585 HA LYS 84 HA LYS 84 23.543 -13.702 -15.500 586 HB2 LYS 84 HB2 LYS 84 21.445 -13.444 -14.201 587 HB3 LYS 84 HB1 LYS 84 21.654 -11.700 -14.235 588 HG2 LYS 84 HG2 LYS 84 20.025 -12.436 -15.886 589 HG3 LYS 84 HG1 LYS 84 21.433 -11.705 -16.658 590 HD2 LYS 84 HD2 LYS 84 22.333 -13.901 -17.150 591 HD3 LYS 84 HD1 LYS 84 20.980 -14.668 -16.317 592 HE2 LYS 84 HE2 LYS 84 19.436 -13.692 -17.951 593 HE3 LYS 84 HE1 LYS 84 20.795 -12.940 -18.783 594 HZ1 LYS 84 HZ1 LYS 84 21.674 -15.113 -19.279 595 HZ2 LYS 84 HZ2 LYS 84 20.083 -15.009 -19.840 596 HZ3 LYS 84 HZ3 LYS 84 20.424 -15.865 -18.423 597 H LEU 85 HN LEU 85 23.709 -10.485 -14.047 598 HA LEU 85 HA LEU 85 24.340 -9.244 -16.583 599 HB2 LEU 85 HB2 LEU 85 24.100 -8.150 -13.781 600 HB3 LEU 85 HB1 LEU 85 24.585 -7.168 -15.147 601 HG LEU 85 HG LEU 85 22.368 -7.777 -16.219 602 HD11 LEU 85 HD11 LEU 85 21.734 -8.700 -13.424 603 HD12 LEU 85 HD12 LEU 85 21.834 -9.722 -14.856 604 HD13 LEU 85 HD13 LEU 85 20.575 -8.494 -14.736 605 HD21 LEU 85 HD21 LEU 85 22.774 -5.600 -15.250 606 HD22 LEU 85 HD22 LEU 85 22.374 -6.210 -13.646 607 HD23 LEU 85 HD23 LEU 85 21.129 -6.121 -14.891 Start of MODEL 10 1 H1 GLY 11 HT1 GLY 11 -25.421 -9.873 0.002 2 H2 GLY 11 HT2 GLY 11 -24.898 -11.079 1.063 3 H3 GLY 11 HT3 GLY 11 -24.189 -10.933 -0.463 4 HA2 GLY 11 HA1 GLY 11 -24.018 -8.934 1.714 5 HA3 GLY 11 HA2 GLY 11 -22.743 -10.053 1.259 6 H ARG 12 HN ARG 12 -23.495 -6.964 1.082 7 HA ARG 12 HA ARG 12 -21.829 -6.526 -1.229 8 HB2 ARG 12 HB2 ARG 12 -23.784 -6.476 -2.476 9 HB3 ARG 12 HB1 ARG 12 -24.725 -5.781 -1.168 10 HG2 ARG 12 HG2 ARG 12 -23.653 -3.633 -1.512 11 HG3 ARG 12 HG1 ARG 12 -22.629 -4.328 -2.768 12 HD2 ARG 12 HD2 ARG 12 -25.641 -4.193 -2.868 13 HD3 ARG 12 HD1 ARG 12 -24.553 -3.061 -3.670 14 HE ARG 12 HE ARG 12 -24.150 -5.852 -4.334 15 HH11 ARG 12 HH11 ARG 12 -25.744 -2.853 -5.193 16 HH12 ARG 12 HH12 ARG 12 -25.989 -3.312 -6.845 17 HH21 ARG 12 HH21 ARG 12 -24.459 -6.445 -6.504 18 HH22 ARG 12 HH22 ARG 12 -25.236 -5.347 -7.599 19 HA PRO 13 HA PRO 13 -20.617 -3.216 1.485 20 HB2 PRO 13 HB2 PRO 13 -19.099 -2.056 -0.686 21 HB3 PRO 13 HB1 PRO 13 -18.511 -2.889 0.754 22 HG2 PRO 13 HG2 PRO 13 -18.327 -3.891 -1.798 23 HG3 PRO 13 HG1 PRO 13 -18.324 -4.884 -0.331 24 HD2 PRO 13 HD2 PRO 13 -20.537 -4.371 -2.270 25 HD3 PRO 13 HD1 PRO 13 -20.152 -5.836 -1.347 26 H GLY 14 HN GLY 14 -23.002 -2.586 1.070 27 HA2 GLY 14 HA2 GLY 14 -23.094 -0.064 -0.455 28 HA3 GLY 14 HA1 GLY 14 -24.494 -0.988 0.075 29 H VAL 15 HN VAL 15 -23.855 -1.471 2.687 30 HA VAL 15 HA VAL 15 -24.610 0.806 4.070 31 HB VAL 15 HB VAL 15 -24.863 -1.353 5.076 32 HG11 VAL 15 HG11 VAL 15 -23.029 -2.764 5.754 33 HG12 VAL 15 HG12 VAL 15 -21.858 -1.573 5.194 34 HG13 VAL 15 HG13 VAL 15 -22.886 -2.411 4.031 35 HG21 VAL 15 HG21 VAL 15 -22.847 0.255 6.637 36 HG22 VAL 15 HG22 VAL 15 -23.912 -0.983 7.302 37 HG23 VAL 15 HG23 VAL 15 -24.593 0.498 6.630 38 H PHE 16 HN PHE 16 -21.361 -0.490 3.528 39 HA PHE 16 HA PHE 16 -20.297 2.195 4.065 40 HB2 PHE 16 HB2 PHE 16 -19.764 0.387 5.850 41 HB3 PHE 16 HB1 PHE 16 -18.719 -0.315 4.624 42 HD1 PHE 16 HD2 PHE 16 -17.220 1.689 3.422 43 HD2 PHE 16 HD1 PHE 16 -18.668 1.604 7.424 44 HE1 PHE 16 HE2 PHE 16 -15.425 3.223 4.105 45 HE2 PHE 16 HE1 PHE 16 -16.876 3.138 8.111 46 HZ PHE 16 HZ PHE 16 -15.250 3.949 6.451 47 H ARG 17 HN ARG 17 -20.038 2.839 2.005 48 HA ARG 17 HA ARG 17 -19.246 0.973 -0.037 49 HB2 ARG 17 HB2 ARG 17 -20.933 2.814 -0.378 50 HB3 ARG 17 HB1 ARG 17 -19.600 3.959 -0.299 51 HG2 ARG 17 HG2 ARG 17 -20.229 3.444 -2.603 52 HG3 ARG 17 HG1 ARG 17 -18.576 2.937 -2.248 53 HD2 ARG 17 HD2 ARG 17 -19.306 0.651 -1.951 54 HD3 ARG 17 HD1 ARG 17 -20.984 1.129 -2.185 55 HE ARG 17 HE ARG 17 -19.366 1.832 -4.419 56 HH11 ARG 17 HH11 ARG 17 -20.982 -0.839 -2.854 57 HH12 ARG 17 HH12 ARG 17 -21.224 -1.730 -4.326 58 HH21 ARG 17 HH21 ARG 17 -19.643 0.669 -6.357 59 HH22 ARG 17 HH22 ARG 17 -20.444 -0.872 -6.331 60 H THR 18 HN THR 18 -17.943 4.166 0.880 61 HA THR 18 HA THR 18 -15.243 3.093 0.580 62 HB THR 18 HB THR 18 -14.694 5.295 -0.680 63 HG1 THR 18 HG1 THR 18 -16.348 6.438 -1.307 64 HG21 THR 18 HG21 THR 18 -16.185 3.057 -2.051 65 HG22 THR 18 HG22 THR 18 -14.463 3.084 -1.673 66 HG23 THR 18 HG23 THR 18 -15.125 4.225 -2.843 67 H ARG 19 HN ARG 19 -13.586 4.572 1.350 68 HA ARG 19 HA ARG 19 -14.558 6.484 3.367 69 HB2 ARG 19 HB2 ARG 19 -13.278 4.617 4.334 70 HB3 ARG 19 HB1 ARG 19 -11.943 4.957 3.246 71 HG2 ARG 19 HG2 ARG 19 -11.858 7.259 4.343 72 HG3 ARG 19 HG1 ARG 19 -12.899 6.563 5.587 73 HD2 ARG 19 HD2 ARG 19 -11.256 4.937 6.162 74 HD3 ARG 19 HD1 ARG 19 -10.273 5.340 4.749 75 HE ARG 19 HE ARG 19 -10.725 7.463 6.693 76 HH11 ARG 19 HH11 ARG 19 -8.581 4.954 5.530 77 HH12 ARG 19 HH12 ARG 19 -7.149 5.686 6.193 78 HH21 ARG 19 HH21 ARG 19 -8.831 8.428 7.553 79 HH22 ARG 19 HH22 ARG 19 -7.297 7.648 7.328 80 H GLY 20 HN GLY 20 -14.759 7.781 1.280 81 HA2 GLY 20 HA2 GLY 20 -14.013 9.401 -0.163 82 HA3 GLY 20 HA1 GLY 20 -12.801 9.745 1.065 83 H LEU 21 HN LEU 21 -13.363 6.971 -1.066 84 HA LEU 21 HA LEU 21 -10.523 6.774 -1.520 85 HB2 LEU 21 HB2 LEU 21 -12.737 4.996 -1.646 86 HB3 LEU 21 HB1 LEU 21 -11.972 5.017 -3.224 87 HG LEU 21 HG LEU 21 -9.782 4.628 -1.984 88 HD11 LEU 21 HD11 LEU 21 -11.699 3.926 0.209 89 HD12 LEU 21 HD12 LEU 21 -10.476 5.201 0.222 90 HD13 LEU 21 HD13 LEU 21 -9.985 3.508 0.176 91 HD21 LEU 21 HD21 LEU 21 -11.967 2.611 -2.244 92 HD22 LEU 21 HD22 LEU 21 -10.353 2.161 -1.692 93 HD23 LEU 21 HD23 LEU 21 -10.574 2.886 -3.285 94 H THR 22 HN THR 22 -9.563 7.948 -2.995 95 HA THR 22 HA THR 22 -10.974 9.186 -5.131 96 HB THR 22 HB THR 22 -8.697 9.847 -5.924 97 HG1 THR 22 HG1 THR 22 -6.921 9.261 -4.697 98 HG21 THR 22 HG21 THR 22 -8.223 11.319 -3.989 99 HG22 THR 22 HG22 THR 22 -9.343 10.364 -3.012 100 HG23 THR 22 HG23 THR 22 -9.938 11.281 -4.395 101 H ASP 23 HN ASP 23 -9.797 8.958 -7.407 102 HA ASP 23 HA ASP 23 -10.675 6.503 -8.395 103 HB2 ASP 23 HB2 ASP 23 -8.781 8.510 -9.634 104 HB3 ASP 23 HB1 ASP 23 -9.544 7.189 -10.501 105 H GLU 24 HN GLU 24 -7.440 7.568 -7.474 106 HA GLU 24 HA GLU 24 -6.085 5.301 -8.525 107 HB2 GLU 24 HB2 GLU 24 -5.289 7.308 -6.415 108 HB3 GLU 24 HB1 GLU 24 -4.214 6.057 -7.022 109 HG2 GLU 24 HG2 GLU 24 -4.203 7.000 -9.194 110 HG3 GLU 24 HG1 GLU 24 -5.520 8.102 -8.793 111 H GLU 25 HN GLU 25 -7.168 6.126 -5.221 112 HA GLU 25 HA GLU 25 -6.233 3.763 -3.992 113 HB2 GLU 25 HB2 GLU 25 -8.683 5.336 -3.179 114 HB3 GLU 25 HB1 GLU 25 -7.723 4.283 -2.162 115 HG2 GLU 25 HG2 GLU 25 -6.646 6.793 -3.408 116 HG3 GLU 25 HG1 GLU 25 -7.399 6.736 -1.814 117 H TYR 26 HN TYR 26 -9.262 4.606 -5.557 118 HA TYR 26 HA TYR 26 -10.604 2.188 -4.943 119 HB2 TYR 26 HB2 TYR 26 -11.725 4.335 -5.591 120 HB3 TYR 26 HB1 TYR 26 -11.160 4.065 -7.231 121 HD1 TYR 26 HD1 TYR 26 -13.227 2.521 -4.552 122 HD2 TYR 26 HD2 TYR 26 -12.387 2.749 -8.712 123 HE1 TYR 26 HE1 TYR 26 -15.177 1.118 -5.017 124 HE2 TYR 26 HE2 TYR 26 -14.320 1.346 -9.190 125 HH TYR 26 HH TYR 26 -15.781 -0.212 -8.162 126 H ASP 27 HN ASP 27 -8.727 3.282 -7.735 127 HA ASP 27 HA ASP 27 -9.095 1.050 -9.389 128 HB2 ASP 27 HB2 ASP 27 -7.957 3.105 -10.150 129 HB3 ASP 27 HB1 ASP 27 -6.637 2.789 -9.039 130 H GLU 28 HN GLU 28 -6.657 1.716 -6.908 131 HA GLU 28 HA GLU 28 -5.258 -0.703 -7.044 132 HB2 GLU 28 HB2 GLU 28 -4.422 1.251 -5.831 133 HB3 GLU 28 HB1 GLU 28 -5.755 1.135 -4.696 134 HG2 GLU 28 HG2 GLU 28 -4.938 -0.953 -3.865 135 HG3 GLU 28 HG1 GLU 28 -3.656 -0.977 -5.071 136 H PHE 29 HN PHE 29 -7.952 0.317 -5.000 137 HA PHE 29 HA PHE 29 -8.424 -2.012 -3.581 138 HB2 PHE 29 HB2 PHE 29 -9.572 0.040 -3.056 139 HB3 PHE 29 HB1 PHE 29 -10.337 0.075 -4.639 140 HD1 PHE 29 HD1 PHE 29 -10.038 -2.301 -1.790 141 HD2 PHE 29 HD2 PHE 29 -12.552 -0.459 -4.675 142 HE1 PHE 29 HE1 PHE 29 -11.965 -3.487 -0.849 143 HE2 PHE 29 HE2 PHE 29 -14.495 -1.643 -3.741 144 HZ PHE 29 HZ PHE 29 -14.195 -3.148 -1.811 145 H LYS 30 HN LYS 30 -9.625 -1.079 -6.784 146 HA LYS 30 HA LYS 30 -11.228 -3.340 -7.254 147 HB2 LYS 30 HB2 LYS 30 -9.730 -1.509 -9.141 148 HB3 LYS 30 HB1 LYS 30 -10.830 -2.762 -9.692 149 HG2 LYS 30 HG2 LYS 30 -12.690 -1.656 -8.875 150 HG3 LYS 30 HG1 LYS 30 -11.752 -0.681 -7.756 151 HD2 LYS 30 HD2 LYS 30 -12.616 0.583 -9.684 152 HD3 LYS 30 HD1 LYS 30 -10.863 0.612 -9.560 153 HE2 LYS 30 HE2 LYS 30 -11.563 0.288 -11.836 154 HE3 LYS 30 HE1 LYS 30 -10.710 -1.121 -11.244 155 HZ1 LYS 30 HZ1 LYS 30 -12.781 -2.267 -10.967 156 HZ2 LYS 30 HZ2 LYS 30 -12.713 -1.666 -12.546 157 HZ3 LYS 30 HZ3 LYS 30 -13.662 -0.887 -11.385 158 H LYS 31 HN LYS 31 -7.884 -2.656 -8.247 159 HA LYS 31 HA LYS 31 -7.344 -5.101 -9.467 160 HB2 LYS 31 HB2 LYS 31 -5.525 -3.184 -8.020 161 HB3 LYS 31 HB1 LYS 31 -4.952 -4.551 -8.965 162 HG2 LYS 31 HG2 LYS 31 -5.801 -3.634 -10.978 163 HG3 LYS 31 HG1 LYS 31 -6.708 -2.398 -10.106 164 HD2 LYS 31 HD2 LYS 31 -4.676 -1.489 -11.135 165 HD3 LYS 31 HD1 LYS 31 -4.644 -1.360 -9.376 166 HE2 LYS 31 HE2 LYS 31 -3.248 -3.379 -9.274 167 HE3 LYS 31 HE1 LYS 31 -3.250 -3.457 -11.034 168 HZ1 LYS 31 HZ1 LYS 31 -1.238 -2.413 -10.150 169 HZ2 LYS 31 HZ2 LYS 31 -2.172 -1.197 -9.436 170 HZ3 LYS 31 HZ3 LYS 31 -2.121 -1.343 -11.116 171 H ARG 32 HN ARG 32 -7.114 -4.100 -6.116 172 HA ARG 32 HA ARG 32 -6.009 -6.497 -5.116 173 HB2 ARG 32 HB2 ARG 32 -7.556 -4.283 -3.848 174 HB3 ARG 32 HB1 ARG 32 -6.965 -5.646 -2.924 175 HG2 ARG 32 HG2 ARG 32 -4.673 -5.083 -3.598 176 HG3 ARG 32 HG1 ARG 32 -5.294 -3.687 -4.479 177 HD2 ARG 32 HD2 ARG 32 -6.279 -2.873 -2.354 178 HD3 ARG 32 HD1 ARG 32 -5.470 -4.196 -1.519 179 HE ARG 32 HE ARG 32 -3.865 -2.300 -3.073 180 HH11 ARG 32 HH11 ARG 32 -4.746 -3.698 0.012 181 HH12 ARG 32 HH12 ARG 32 -3.517 -2.836 0.899 182 HH21 ARG 32 HH21 ARG 32 -2.278 -1.134 -1.916 183 HH22 ARG 32 HH22 ARG 32 -2.116 -1.392 -0.201 184 H ARG 33 HN ARG 33 -9.348 -5.289 -5.274 185 HA ARG 33 HA ARG 33 -10.519 -7.539 -4.041 186 HB2 ARG 33 HB2 ARG 33 -11.682 -5.406 -4.159 187 HB3 ARG 33 HB1 ARG 33 -11.740 -5.505 -5.912 188 HG2 ARG 33 HG2 ARG 33 -13.361 -7.155 -5.895 189 HG3 ARG 33 HG1 ARG 33 -12.986 -7.649 -4.247 190 HD2 ARG 33 HD2 ARG 33 -13.891 -5.544 -3.415 191 HD3 ARG 33 HD1 ARG 33 -14.324 -5.068 -5.055 192 HE ARG 33 HE ARG 33 -15.416 -7.521 -3.834 193 HH11 ARG 33 HH11 ARG 33 -15.929 -4.392 -5.337 194 HH12 ARG 33 HH12 ARG 33 -17.644 -4.612 -5.473 195 HH21 ARG 33 HH21 ARG 33 -17.667 -7.787 -3.997 196 HH22 ARG 33 HH22 ARG 33 -18.627 -6.536 -4.726 197 H GLU 34 HN GLU 34 -9.807 -6.766 -7.381 198 HA GLU 34 HA GLU 34 -11.040 -8.964 -8.607 199 HB2 GLU 34 HB2 GLU 34 -10.104 -6.998 -9.792 200 HB3 GLU 34 HB1 GLU 34 -8.484 -7.549 -9.395 201 HG2 GLU 34 HG2 GLU 34 -8.780 -9.521 -10.750 202 HG3 GLU 34 HG1 GLU 34 -10.456 -9.078 -11.074 203 H SER 35 HN SER 35 -7.876 -8.579 -7.109 204 HA SER 35 HA SER 35 -6.857 -11.122 -7.787 205 HB2 SER 35 HB2 SER 35 -5.463 -9.194 -7.038 206 HB3 SER 35 HB1 SER 35 -6.117 -9.393 -5.412 207 HG SER 35 HG SER 35 -4.626 -11.323 -6.873 208 H ARG 36 HN ARG 36 -8.941 -10.002 -5.212 209 HA ARG 36 HA ARG 36 -8.758 -12.543 -3.800 210 HB2 ARG 36 HB2 ARG 36 -10.090 -9.930 -3.237 211 HB3 ARG 36 HB1 ARG 36 -10.648 -11.362 -2.402 212 HG2 ARG 36 HG2 ARG 36 -9.125 -10.642 -0.890 213 HG3 ARG 36 HG1 ARG 36 -8.051 -11.611 -1.902 214 HD2 ARG 36 HD2 ARG 36 -7.528 -9.552 -3.182 215 HD3 ARG 36 HD1 ARG 36 -8.492 -8.642 -2.036 216 HE ARG 36 HE ARG 36 -6.769 -9.810 -0.394 217 HH11 ARG 36 HH11 ARG 36 -6.204 -8.256 -3.474 218 HH12 ARG 36 HH12 ARG 36 -4.635 -7.658 -3.036 219 HH21 ARG 36 HH21 ARG 36 -4.706 -9.017 0.196 220 HH22 ARG 36 HH22 ARG 36 -3.790 -8.081 -0.945 221 H GLY 37 HN GLY 37 -10.179 -11.786 -6.549 222 HA2 GLY 37 HA2 GLY 37 -11.883 -12.759 -7.748 223 HA3 GLY 37 HA1 GLY 37 -12.055 -13.903 -6.427 224 H GLY 38 HN GLY 38 -12.353 -10.462 -5.944 225 HA2 GLY 38 HA2 GLY 38 -14.324 -9.163 -5.884 226 HA3 GLY 38 HA1 GLY 38 -15.275 -10.633 -5.972 227 H LYS 39 HN LYS 39 -13.478 -11.794 -3.812 228 HA LYS 39 HA LYS 39 -15.128 -10.885 -1.624 229 HB2 LYS 39 HB2 LYS 39 -12.999 -13.011 -1.722 230 HB3 LYS 39 HB1 LYS 39 -14.068 -12.702 -0.359 231 HG2 LYS 39 HG2 LYS 39 -15.913 -12.998 -2.242 232 HG3 LYS 39 HG1 LYS 39 -14.632 -13.973 -2.961 233 HD2 LYS 39 HD2 LYS 39 -14.460 -15.270 -0.896 234 HD3 LYS 39 HD1 LYS 39 -15.747 -14.294 -0.186 235 HE2 LYS 39 HE2 LYS 39 -17.272 -15.065 -1.964 236 HE3 LYS 39 HE1 LYS 39 -15.982 -16.083 -2.602 237 HZ1 LYS 39 HZ1 LYS 39 -17.477 -17.357 -1.220 238 HZ2 LYS 39 HZ2 LYS 39 -17.215 -16.320 0.089 239 HZ3 LYS 39 HZ3 LYS 39 -15.953 -17.280 -0.496 240 H TYR 40 HN TYR 40 -14.008 -8.725 -1.996 241 HA TYR 40 HA TYR 40 -11.982 -8.406 0.073 242 HB2 TYR 40 HB2 TYR 40 -10.847 -8.634 -2.179 243 HB3 TYR 40 HB1 TYR 40 -11.654 -7.142 -2.636 244 HD1 TYR 40 HD2 TYR 40 -9.684 -8.357 0.297 245 HD2 TYR 40 HD1 TYR 40 -10.292 -5.292 -2.586 246 HE1 TYR 40 HE2 TYR 40 -7.834 -7.078 1.281 247 HE2 TYR 40 HE1 TYR 40 -8.431 -4.009 -1.619 248 HH TYR 40 HH TYR 40 -7.233 -3.835 0.529 249 H SER 41 HN SER 41 -13.394 -7.242 1.364 250 HA SER 41 HA SER 41 -15.202 -5.331 0.225 251 HB2 SER 41 HB2 SER 41 -14.752 -4.953 3.021 252 HB3 SER 41 HB1 SER 41 -16.224 -5.418 2.202 253 HG SER 41 HG SER 41 -14.094 -7.170 2.940 254 H ILE 42 HN ILE 42 -15.243 -3.040 1.043 255 HA ILE 42 HA ILE 42 -12.812 -1.768 0.430 256 HB ILE 42 HB ILE 42 -15.195 -0.787 0.351 257 HG12 ILE 42 HG12 ILE 42 -14.104 1.526 1.063 258 HG13 ILE 42 HG11 ILE 42 -12.655 0.528 1.129 259 HG21 ILE 42 HG21 ILE 42 -15.766 -1.156 2.696 260 HG22 ILE 42 HG22 ILE 42 -15.842 0.553 2.270 261 HG23 ILE 42 HG23 ILE 42 -14.463 -0.068 3.183 262 HD11 ILE 42 HD11 ILE 42 -14.429 0.852 -1.258 263 HD12 ILE 42 HD12 ILE 42 -12.961 -0.122 -1.172 264 HD13 ILE 42 HD13 ILE 42 -12.868 1.630 -1.003 265 H ASP 43 HN ASP 43 -14.273 -2.784 3.449 266 HA ASP 43 HA ASP 43 -12.576 -1.438 5.225 267 HB2 ASP 43 HB2 ASP 43 -14.084 -4.020 5.493 268 HB3 ASP 43 HB1 ASP 43 -13.220 -3.281 6.825 269 H ASP 44 HN ASP 44 -12.279 -4.599 3.670 270 HA ASP 44 HA ASP 44 -9.936 -5.460 4.943 271 HB2 ASP 44 HB2 ASP 44 -10.854 -6.008 2.108 272 HB3 ASP 44 HB1 ASP 44 -9.571 -6.874 2.934 273 H TYR 45 HN TYR 45 -10.512 -3.255 2.320 274 HA TYR 45 HA TYR 45 -7.715 -2.890 1.728 275 HB2 TYR 45 HB2 TYR 45 -9.287 -2.645 -0.081 276 HB3 TYR 45 HB1 TYR 45 -10.201 -1.437 0.813 277 HD1 TYR 45 HD2 TYR 45 -6.960 -2.087 -0.837 278 HD2 TYR 45 HD1 TYR 45 -9.620 0.852 0.697 279 HE1 TYR 45 HE2 TYR 45 -5.579 -0.332 -1.866 280 HE2 TYR 45 HE1 TYR 45 -8.231 2.639 -0.314 281 HH TYR 45 HH TYR 45 -5.541 1.890 -2.451 282 H LEU 46 HN LEU 46 -10.249 -1.192 3.471 283 HA LEU 46 HA LEU 46 -8.843 1.233 3.796 284 HB2 LEU 46 HB2 LEU 46 -11.166 0.057 5.309 285 HB3 LEU 46 HB1 LEU 46 -10.571 1.682 5.550 286 HG LEU 46 HG LEU 46 -11.731 0.602 2.989 287 HD11 LEU 46 HD11 LEU 46 -12.808 2.618 4.951 288 HD12 LEU 46 HD12 LEU 46 -13.380 0.962 4.763 289 HD13 LEU 46 HD13 LEU 46 -13.570 2.115 3.443 290 HD21 LEU 46 HD21 LEU 46 -10.669 3.329 3.699 291 HD22 LEU 46 HD22 LEU 46 -11.610 2.963 2.255 292 HD23 LEU 46 HD23 LEU 46 -10.028 2.221 2.487 293 H ALA 47 HN ALA 47 -8.991 -1.691 5.773 294 HA ALA 47 HA ALA 47 -7.565 -0.581 7.988 295 HB1 ALA 47 HB1 ALA 47 -7.242 -2.885 8.699 296 HB2 ALA 47 HB2 ALA 47 -7.754 -3.469 7.115 297 HB3 ALA 47 HB3 ALA 47 -8.906 -2.643 8.166 298 H ASP 48 HN ASP 48 -6.630 -2.214 5.023 299 HA ASP 48 HA ASP 48 -3.827 -2.201 5.615 300 HB2 ASP 48 HB2 ASP 48 -5.025 -3.736 3.963 301 HB3 ASP 48 HB1 ASP 48 -5.098 -2.354 2.876 302 H ARG 49 HN ARG 49 -6.130 -0.068 4.157 303 HA ARG 49 HA ARG 49 -4.348 1.786 2.988 304 HB2 ARG 49 HB2 ARG 49 -6.786 1.614 2.464 305 HB3 ARG 49 HB1 ARG 49 -7.128 2.306 4.044 306 HG2 ARG 49 HG2 ARG 49 -6.051 4.345 3.451 307 HG3 ARG 49 HG1 ARG 49 -5.499 3.666 1.924 308 HD2 ARG 49 HD2 ARG 49 -7.905 3.357 1.325 309 HD3 ARG 49 HD1 ARG 49 -8.316 4.312 2.743 310 HE ARG 49 HE ARG 49 -6.633 5.337 0.530 311 HH11 ARG 49 HH11 ARG 49 -9.204 5.773 2.874 312 HH12 ARG 49 HH12 ARG 49 -9.476 7.433 2.463 313 HH21 ARG 49 HH21 ARG 49 -6.982 7.519 -0.004 314 HH22 ARG 49 HH22 ARG 49 -8.205 8.428 0.827 315 H GLU 50 HN GLU 50 -5.856 1.496 6.164 316 HA GLU 50 HA GLU 50 -4.927 3.769 7.431 317 HB2 GLU 50 HB2 GLU 50 -5.147 0.939 8.480 318 HB3 GLU 50 HB1 GLU 50 -4.841 2.342 9.499 319 HG2 GLU 50 HG2 GLU 50 -7.269 1.960 7.777 320 HG3 GLU 50 HG1 GLU 50 -7.185 1.579 9.494 321 H ARG 51 HN ARG 51 -3.285 0.756 6.690 322 HA ARG 51 HA ARG 51 -0.841 1.435 7.960 323 HB2 ARG 51 HB2 ARG 51 -1.446 -0.638 5.882 324 HB3 ARG 51 HB1 ARG 51 0.072 -0.501 6.769 325 HG2 ARG 51 HG2 ARG 51 -1.618 -0.530 8.825 326 HG3 ARG 51 HG1 ARG 51 -2.564 -1.450 7.660 327 HD2 ARG 51 HD2 ARG 51 -0.661 -2.948 7.318 328 HD3 ARG 51 HD1 ARG 51 0.254 -2.014 8.505 329 HE ARG 51 HE ARG 51 -1.905 -2.711 9.920 330 HH11 ARG 51 HH11 ARG 51 0.220 -4.626 7.896 331 HH12 ARG 51 HH12 ARG 51 -0.057 -6.090 8.783 332 HH21 ARG 51 HH21 ARG 51 -2.258 -4.629 11.088 333 HH22 ARG 51 HH22 ARG 51 -1.464 -6.092 10.597 334 H GLU 52 HN GLU 52 -1.950 1.469 4.609 335 HA GLU 52 HA GLU 52 0.426 2.294 3.422 336 HB2 GLU 52 HB2 GLU 52 -2.433 2.728 2.616 337 HB3 GLU 52 HB1 GLU 52 -1.083 3.290 1.638 338 HG2 GLU 52 HG2 GLU 52 -1.641 0.441 2.430 339 HG3 GLU 52 HG1 GLU 52 -1.891 1.156 0.836 340 H GLU 53 HN GLU 53 -2.094 4.213 4.986 341 HA GLU 53 HA GLU 53 -1.196 6.744 4.216 342 HB2 GLU 53 HB2 GLU 53 -2.604 5.842 6.722 343 HB3 GLU 53 HB1 GLU 53 -2.301 7.531 6.343 344 HG2 GLU 53 HG2 GLU 53 -3.609 7.289 4.284 345 HG3 GLU 53 HG1 GLU 53 -3.938 5.608 4.707 346 H GLU 54 HN GLU 54 -0.146 4.680 6.902 347 HA GLU 54 HA GLU 54 1.736 6.706 7.780 348 HB2 GLU 54 HB2 GLU 54 2.386 5.039 9.510 349 HB3 GLU 54 HB1 GLU 54 0.680 5.455 9.539 350 HG2 GLU 54 HG2 GLU 54 0.105 3.399 8.459 351 HG3 GLU 54 HG1 GLU 54 1.805 3.001 8.224 352 H LEU 55 HN LEU 55 1.653 4.074 5.663 353 HA LEU 55 HA LEU 55 4.528 3.686 5.619 354 HB2 LEU 55 HB2 LEU 55 2.193 2.405 4.311 355 HB3 LEU 55 HB1 LEU 55 3.704 2.365 3.429 356 HG LEU 55 HG LEU 55 4.780 1.239 5.358 357 HD11 LEU 55 HD11 LEU 55 1.990 1.122 6.502 358 HD12 LEU 55 HD12 LEU 55 3.333 2.071 7.145 359 HD13 LEU 55 HD13 LEU 55 3.416 0.309 7.146 360 HD21 LEU 55 HD21 LEU 55 2.309 -0.123 4.300 361 HD22 LEU 55 HD22 LEU 55 3.695 -0.926 5.038 362 HD23 LEU 55 HD23 LEU 55 3.886 -0.064 3.511 363 H LEU 56 HN LEU 56 2.376 5.902 4.383 364 HA LEU 56 HA LEU 56 3.835 6.519 1.977 365 HB2 LEU 56 HB2 LEU 56 1.675 7.993 3.481 366 HB3 LEU 56 HB1 LEU 56 2.426 8.622 2.027 367 HG LEU 56 HG LEU 56 0.855 6.048 2.209 368 HD11 LEU 56 HD11 LEU 56 -0.820 7.229 0.884 369 HD12 LEU 56 HD12 LEU 56 0.136 8.707 0.990 370 HD13 LEU 56 HD13 LEU 56 -0.566 8.005 2.447 371 HD21 LEU 56 HD21 LEU 56 0.992 6.089 -0.254 372 HD22 LEU 56 HD22 LEU 56 2.567 5.892 0.513 373 HD23 LEU 56 HD23 LEU 56 2.099 7.458 -0.149 374 H GLU 57 HN GLU 57 4.201 9.228 2.025 375 HA GLU 57 HA GLU 57 6.031 10.548 2.328 376 HB2 GLU 57 HB2 GLU 57 5.280 9.907 5.172 377 HB3 GLU 57 HB1 GLU 57 6.449 11.147 4.739 378 HG2 GLU 57 HG2 GLU 57 4.640 12.250 3.410 379 HG3 GLU 57 HG1 GLU 57 3.514 11.078 4.089 380 H ARG 58 HN ARG 58 6.739 8.013 1.643 381 HA ARG 58 HA ARG 58 8.794 7.138 3.536 382 HB2 ARG 58 HB2 ARG 58 7.109 5.480 2.848 383 HB3 ARG 58 HB1 ARG 58 7.578 5.706 1.172 384 HG2 ARG 58 HG2 ARG 58 8.551 3.682 2.004 385 HG3 ARG 58 HG1 ARG 58 9.829 4.864 1.718 386 HD2 ARG 58 HD2 ARG 58 9.928 5.377 4.076 387 HD3 ARG 58 HD1 ARG 58 8.573 4.300 4.402 388 HE ARG 58 HE ARG 58 10.353 2.645 3.259 389 HH11 ARG 58 HH11 ARG 58 10.643 4.980 5.851 390 HH12 ARG 58 HH12 ARG 58 11.895 4.107 6.673 391 HH21 ARG 58 HH21 ARG 58 12.008 1.486 4.345 392 HH22 ARG 58 HH22 ARG 58 12.670 2.121 5.817 393 H ASP 59 HN ASP 59 8.369 7.553 0.018 394 HA ASP 59 HA ASP 59 11.142 8.329 -0.246 395 HB2 ASP 59 HB2 ASP 59 11.270 5.884 -0.068 396 HB3 ASP 59 HB1 ASP 59 10.140 5.723 -1.405 397 H GLU 60 HN GLU 60 8.626 6.855 -2.308 398 HA GLU 60 HA GLU 60 9.354 8.436 -4.549 399 HB2 GLU 60 HB2 GLU 60 7.323 7.451 -5.596 400 HB3 GLU 60 HB1 GLU 60 8.418 6.263 -4.909 401 HG2 GLU 60 HG2 GLU 60 6.994 5.987 -2.990 402 HG3 GLU 60 HG1 GLU 60 5.934 7.279 -3.552 403 H GLU 61 HN GLU 61 7.425 9.151 -1.870 404 HA GLU 61 HA GLU 61 5.450 10.736 -3.196 405 HB2 GLU 61 HB2 GLU 61 5.093 9.636 -0.994 406 HB3 GLU 61 HB1 GLU 61 6.235 10.765 -0.279 407 HG2 GLU 61 HG2 GLU 61 4.773 12.625 -0.959 408 HG3 GLU 61 HG1 GLU 61 3.616 11.454 -1.589 409 H GLU 62 HN GLU 62 8.222 11.589 -1.110 410 HA GLU 62 HA GLU 62 8.598 14.063 -2.544 411 HB2 GLU 62 HB2 GLU 62 6.775 14.170 -0.528 412 HB3 GLU 62 HB1 GLU 62 8.251 14.525 0.357 413 HG2 GLU 62 HG2 GLU 62 8.716 16.400 -1.105 414 HG3 GLU 62 HG1 GLU 62 7.306 16.010 -2.085 415 H ALA 63 HN ALA 63 10.144 15.337 -0.492 416 HA ALA 63 HA ALA 63 12.547 13.783 -0.872 417 HB1 ALA 63 HB1 ALA 63 13.725 15.756 -0.120 418 HB2 ALA 63 HB2 ALA 63 12.209 16.499 0.388 419 HB3 ALA 63 HB3 ALA 63 12.514 16.199 -1.322 420 H ILE 64 HN ILE 64 11.454 12.150 0.678 421 HA ILE 64 HA ILE 64 12.085 12.770 3.469 422 HB ILE 64 HB ILE 64 10.887 10.240 2.319 423 HG12 ILE 64 HG12 ILE 64 8.883 11.335 3.738 424 HG13 ILE 64 HG11 ILE 64 9.694 12.806 3.219 425 HG21 ILE 64 HG21 ILE 64 12.025 9.875 4.434 426 HG22 ILE 64 HG22 ILE 64 10.278 9.731 4.630 427 HG23 ILE 64 HG23 ILE 64 11.110 11.190 5.169 428 HD11 ILE 64 HD11 ILE 64 7.915 12.205 1.690 429 HD12 ILE 64 HD12 ILE 64 8.660 10.630 1.418 430 HD13 ILE 64 HD13 ILE 64 9.485 12.096 0.891 431 H PHE 65 HN PHE 65 13.266 11.101 0.725 432 HA PHE 65 HA PHE 65 15.259 9.597 2.249 433 HB2 PHE 65 HB2 PHE 65 15.725 8.474 0.116 434 HB3 PHE 65 HB1 PHE 65 14.003 8.414 0.477 435 HD1 PHE 65 HD2 PHE 65 12.482 10.083 -0.672 436 HD2 PHE 65 HD1 PHE 65 16.501 9.403 -1.888 437 HE1 PHE 65 HE2 PHE 65 11.990 11.103 -2.855 438 HE2 PHE 65 HE1 PHE 65 16.016 10.426 -4.069 439 HZ PHE 65 HZ PHE 65 13.760 11.274 -4.558 440 H GLY 66 HN GLY 66 15.197 12.575 1.777 441 HA2 GLY 66 HA2 GLY 66 17.152 13.973 1.664 442 HA3 GLY 66 HA1 GLY 66 17.835 12.840 0.502 443 H ASP 67 HN ASP 67 18.074 15.136 -0.519 444 HA ASP 67 HA ASP 67 15.697 16.214 -1.711 445 HB2 ASP 67 HB2 ASP 67 17.153 17.790 -2.809 446 HB3 ASP 67 HB1 ASP 67 17.698 17.601 -1.147 447 H GLY 68 HN GLY 68 15.340 16.374 -4.024 448 HA2 GLY 68 HA2 GLY 68 15.820 15.585 -6.260 449 HA3 GLY 68 HA1 GLY 68 16.501 14.130 -5.546 450 H PHE 69 HN PHE 69 13.429 15.874 -5.145 451 HA PHE 69 HA PHE 69 12.067 13.278 -5.374 452 HB2 PHE 69 HB2 PHE 69 10.310 14.190 -3.969 453 HB3 PHE 69 HB1 PHE 69 11.865 14.385 -3.171 454 HD1 PHE 69 HD2 PHE 69 12.996 16.678 -3.345 455 HD2 PHE 69 HD1 PHE 69 8.897 16.012 -4.274 456 HE1 PHE 69 HE2 PHE 69 12.543 19.076 -3.052 457 HE2 PHE 69 HE1 PHE 69 8.438 18.409 -3.985 458 HZ PHE 69 HZ PHE 69 10.263 19.946 -3.372 459 H GLY 70 HN GLY 70 9.546 13.870 -5.835 460 HA2 GLY 70 HA2 GLY 70 7.997 14.736 -7.320 461 HA3 GLY 70 HA1 GLY 70 9.207 15.900 -7.845 462 H LEU 71 HN LEU 71 9.751 12.458 -7.793 463 HA LEU 71 HA LEU 71 10.660 12.438 -10.462 464 HB2 LEU 71 HB2 LEU 71 9.896 10.118 -8.690 465 HB3 LEU 71 HB1 LEU 71 10.819 10.003 -10.175 466 HG LEU 71 HG LEU 71 11.707 11.419 -7.660 467 HD11 LEU 71 HD11 LEU 71 13.346 9.622 -7.497 468 HD12 LEU 71 HD12 LEU 71 12.650 8.848 -8.921 469 HD13 LEU 71 HD13 LEU 71 11.701 8.989 -7.442 470 HD21 LEU 71 HD21 LEU 71 12.589 12.517 -9.638 471 HD22 LEU 71 HD22 LEU 71 13.137 10.968 -10.278 472 HD23 LEU 71 HD23 LEU 71 13.868 11.624 -8.812 473 H LYS 72 HN LYS 72 7.803 10.799 -9.049 474 HA LYS 72 HA LYS 72 6.558 11.006 -11.707 475 HB2 LYS 72 HB2 LYS 72 5.201 9.015 -11.075 476 HB3 LYS 72 HB1 LYS 72 6.921 8.688 -11.202 477 HG2 LYS 72 HG2 LYS 72 7.142 8.709 -8.799 478 HG3 LYS 72 HG1 LYS 72 5.446 9.166 -8.622 479 HD2 LYS 72 HD2 LYS 72 4.761 7.058 -9.640 480 HD3 LYS 72 HD1 LYS 72 6.451 6.603 -9.862 481 HE2 LYS 72 HE2 LYS 72 6.798 6.582 -7.474 482 HE3 LYS 72 HE1 LYS 72 5.160 7.165 -7.199 483 HZ1 LYS 72 HZ1 LYS 72 4.311 5.111 -8.149 484 HZ2 LYS 72 HZ2 LYS 72 5.320 4.793 -6.826 485 HZ3 LYS 72 HZ3 LYS 72 5.886 4.548 -8.400 486 H ALA 73 HN ALA 73 6.217 11.650 -8.326 487 HA ALA 73 HA ALA 73 3.382 12.096 -8.412 488 HB1 ALA 73 HB1 ALA 73 4.488 11.325 -6.365 489 HB2 ALA 73 HB2 ALA 73 3.618 12.839 -6.110 490 HB3 ALA 73 HB3 ALA 73 5.374 12.848 -6.276 491 H THR 74 HN THR 74 5.956 14.358 -7.446 492 HA THR 74 HA THR 74 4.326 16.600 -8.202 493 HB THR 74 HB THR 74 7.215 16.828 -7.426 494 HG1 THR 74 HG1 THR 74 5.752 16.891 -5.224 495 HG21 THR 74 HG21 THR 74 5.966 18.866 -7.970 496 HG22 THR 74 HG22 THR 74 6.400 18.828 -6.261 497 HG23 THR 74 HG23 THR 74 4.752 18.449 -6.759 498 H ARG 75 HN ARG 75 4.221 15.984 -10.506 499 HA ARG 75 HA ARG 75 6.591 16.175 -12.108 500 HB2 ARG 75 HB2 ARG 75 3.671 16.166 -12.887 501 HB3 ARG 75 HB1 ARG 75 5.007 16.097 -14.025 502 HG2 ARG 75 HG2 ARG 75 4.472 14.049 -11.884 503 HG3 ARG 75 HG1 ARG 75 3.987 13.899 -13.573 504 HD2 ARG 75 HD2 ARG 75 6.831 14.230 -12.625 505 HD3 ARG 75 HD1 ARG 75 6.084 12.687 -13.029 506 HE ARG 75 HE ARG 75 5.830 14.495 -15.191 507 HH11 ARG 75 HH11 ARG 75 8.238 12.561 -13.539 508 HH12 ARG 75 HH12 ARG 75 9.189 12.301 -14.965 509 HH21 ARG 75 HH21 ARG 75 7.084 14.157 -17.069 510 HH22 ARG 75 HH22 ARG 75 8.542 13.219 -16.974 511 H ARG 76 HN ARG 76 7.441 18.187 -11.538 512 HA ARG 76 HA ARG 76 6.100 20.438 -12.879 513 HB2 ARG 76 HB2 ARG 76 7.078 21.952 -11.174 514 HB3 ARG 76 HB1 ARG 76 5.917 20.823 -10.494 515 HG2 ARG 76 HG2 ARG 76 7.685 19.464 -9.595 516 HG3 ARG 76 HG1 ARG 76 8.903 20.459 -10.395 517 HD2 ARG 76 HD2 ARG 76 6.985 21.407 -8.268 518 HD3 ARG 76 HD1 ARG 76 8.680 20.999 -8.007 519 HE ARG 76 HE ARG 76 8.335 22.980 -10.043 520 HH11 ARG 76 HH11 ARG 76 8.537 22.486 -6.581 521 HH12 ARG 76 HH12 ARG 76 9.035 24.117 -6.251 522 HH21 ARG 76 HH21 ARG 76 9.011 25.112 -9.619 523 HH22 ARG 76 HH22 ARG 76 9.303 25.613 -7.983 524 H SER 77 HN SER 77 7.890 18.670 -14.051 525 HA SER 77 HA SER 77 10.519 19.923 -13.995 526 HB2 SER 77 HB2 SER 77 10.979 17.914 -15.589 527 HB3 SER 77 HB1 SER 77 10.725 17.602 -13.871 528 HG SER 77 HG SER 77 9.097 16.415 -14.423 529 H ARG 78 HN ARG 78 7.685 20.259 -15.655 530 HA ARG 78 HA ARG 78 7.079 21.557 -17.410 531 HB2 ARG 78 HB2 ARG 78 8.923 23.052 -16.769 532 HB3 ARG 78 HB1 ARG 78 10.033 22.101 -17.742 533 HG2 ARG 78 HG2 ARG 78 8.756 22.698 -19.751 534 HG3 ARG 78 HG1 ARG 78 7.688 23.690 -18.758 535 HD2 ARG 78 HD2 ARG 78 10.661 24.071 -19.085 536 HD3 ARG 78 HD1 ARG 78 9.406 25.040 -19.855 537 HE ARG 78 HE ARG 78 8.791 25.326 -17.269 538 HH11 ARG 78 HH11 ARG 78 11.849 25.590 -18.951 539 HH12 ARG 78 HH12 ARG 78 12.496 26.771 -17.857 540 HH21 ARG 78 HH21 ARG 78 9.637 26.887 -15.827 541 HH22 ARG 78 HH22 ARG 78 11.234 27.509 -16.083 542 H LYS 79 HN LYS 79 10.175 20.152 -18.484 543 HA LYS 79 HA LYS 79 8.702 18.580 -20.472 544 HB2 LYS 79 HB2 LYS 79 11.049 20.392 -21.045 545 HB3 LYS 79 HB1 LYS 79 10.527 19.122 -22.140 546 HG2 LYS 79 HG2 LYS 79 8.791 21.409 -21.241 547 HG3 LYS 79 HG1 LYS 79 9.709 21.377 -22.746 548 HD2 LYS 79 HD2 LYS 79 8.462 19.416 -23.479 549 HD3 LYS 79 HD1 LYS 79 7.569 19.400 -21.959 550 HE2 LYS 79 HE2 LYS 79 6.234 20.413 -23.709 551 HE3 LYS 79 HE1 LYS 79 6.649 21.607 -22.481 552 HZ1 LYS 79 HZ1 LYS 79 7.961 21.289 -25.125 553 HZ2 LYS 79 HZ2 LYS 79 8.424 22.402 -23.942 554 HZ3 LYS 79 HZ3 LYS 79 6.908 22.530 -24.673 555 H ALA 80 HN ALA 80 9.134 16.873 -18.971 556 HA ALA 80 HA ALA 80 11.867 15.826 -19.271 557 HB1 ALA 80 HB1 ALA 80 11.706 14.813 -17.052 558 HB2 ALA 80 HB2 ALA 80 10.129 15.567 -16.821 559 HB3 ALA 80 HB3 ALA 80 11.572 16.568 -16.971 560 H GLU 81 HN GLU 81 10.581 15.012 -21.195 561 HA GLU 81 HA GLU 81 8.652 12.944 -20.806 562 HB2 GLU 81 HB2 GLU 81 8.882 14.329 -22.883 563 HB3 GLU 81 HB1 GLU 81 10.388 13.484 -23.219 564 HG2 GLU 81 HG2 GLU 81 9.143 11.364 -23.303 565 HG3 GLU 81 HG1 GLU 81 7.644 12.266 -23.074 566 H ARG 82 HN ARG 82 12.120 13.105 -21.103 567 HA ARG 82 HA ARG 82 12.354 10.237 -21.439 568 HB2 ARG 82 HB2 ARG 82 14.518 12.328 -21.172 569 HB3 ARG 82 HB1 ARG 82 14.760 10.644 -21.620 570 HG2 ARG 82 HG2 ARG 82 13.362 11.030 -23.628 571 HG3 ARG 82 HG1 ARG 82 13.285 12.739 -23.197 572 HD2 ARG 82 HD2 ARG 82 15.769 12.806 -23.275 573 HD3 ARG 82 HD1 ARG 82 15.751 11.142 -23.861 574 HE ARG 82 HE ARG 82 14.276 13.189 -25.351 575 HH11 ARG 82 HH11 ARG 82 16.969 10.967 -25.171 576 HH12 ARG 82 HH12 ARG 82 17.355 11.099 -26.856 577 HH21 ARG 82 HH21 ARG 82 14.786 13.370 -27.573 578 HH22 ARG 82 HH22 ARG 82 16.110 12.456 -28.225 579 H ALA 83 HN ALA 83 11.330 11.552 -18.919 580 HA ALA 83 HA ALA 83 13.343 10.870 -16.950 581 HB1 ALA 83 HB1 ALA 83 11.875 12.767 -16.528 582 HB2 ALA 83 HB2 ALA 83 11.649 11.522 -15.301 583 HB3 ALA 83 HB3 ALA 83 10.466 11.710 -16.594 584 H LYS 84 HN LYS 84 11.245 9.191 -18.828 585 HA LYS 84 HA LYS 84 10.244 7.164 -17.183 586 HB2 LYS 84 HB2 LYS 84 9.793 7.639 -19.673 587 HB3 LYS 84 HB1 LYS 84 11.269 6.749 -19.996 588 HG2 LYS 84 HG2 LYS 84 8.927 5.588 -18.510 589 HG3 LYS 84 HG1 LYS 84 9.141 5.456 -20.253 590 HD2 LYS 84 HD2 LYS 84 11.267 4.290 -19.896 591 HD3 LYS 84 HD1 LYS 84 11.047 4.425 -18.151 592 HE2 LYS 84 HE2 LYS 84 8.925 3.147 -18.390 593 HE3 LYS 84 HE1 LYS 84 9.314 2.906 -20.092 594 HZ1 LYS 84 HZ1 LYS 84 10.908 1.960 -17.775 595 HZ2 LYS 84 HZ2 LYS 84 11.365 1.793 -19.392 596 HZ3 LYS 84 HZ3 LYS 84 9.985 1.002 -18.820 597 H LEU 85 HN LEU 85 13.385 7.672 -18.659 598 HA LEU 85 HA LEU 85 14.485 5.136 -18.054 599 HB2 LEU 85 HB2 LEU 85 15.788 7.797 -18.626 600 HB3 LEU 85 HB1 LEU 85 16.691 6.319 -18.388 601 HG LEU 85 HG LEU 85 16.590 6.601 -20.707 602 HD11 LEU 85 HD11 LEU 85 15.299 4.734 -21.519 603 HD12 LEU 85 HD12 LEU 85 14.332 4.727 -20.047 604 HD13 LEU 85 HD13 LEU 85 16.048 4.330 -19.976 605 HD21 LEU 85 HD21 LEU 85 13.644 7.177 -20.437 606 HD22 LEU 85 HD22 LEU 85 14.528 7.048 -21.957 607 HD23 LEU 85 HD23 LEU 85 14.912 8.342 -20.822 Start of MODEL 11 1 H1 GLY 11 HT1 GLY 11 -30.294 -7.517 0.371 2 H2 GLY 11 HT2 GLY 11 -30.498 -8.257 -1.135 3 H3 GLY 11 HT3 GLY 11 -29.465 -6.927 -0.978 4 HA2 GLY 11 HA1 GLY 11 -29.064 -9.580 0.283 5 HA3 GLY 11 HA2 GLY 11 -28.221 -8.994 -1.141 6 H ARG 12 HN ARG 12 -26.292 -8.146 -0.795 7 HA ARG 12 HA ARG 12 -25.492 -7.525 1.932 8 HB2 ARG 12 HB2 ARG 12 -23.230 -7.512 1.076 9 HB3 ARG 12 HB1 ARG 12 -24.059 -8.933 0.460 10 HG2 ARG 12 HG2 ARG 12 -24.450 -7.718 -1.666 11 HG3 ARG 12 HG1 ARG 12 -23.479 -6.388 -1.034 12 HD2 ARG 12 HD2 ARG 12 -21.566 -7.896 -0.808 13 HD3 ARG 12 HD1 ARG 12 -22.537 -9.224 -1.444 14 HE ARG 12 HE ARG 12 -22.398 -6.928 -3.179 15 HH11 ARG 12 HH11 ARG 12 -20.884 -9.949 -2.285 16 HH12 ARG 12 HH12 ARG 12 -20.064 -10.135 -3.803 17 HH21 ARG 12 HH21 ARG 12 -21.322 -7.170 -5.183 18 HH22 ARG 12 HH22 ARG 12 -20.304 -8.554 -5.444 19 HA PRO 13 HA PRO 13 -25.697 -3.144 1.280 20 HB2 PRO 13 HB2 PRO 13 -24.012 -2.300 3.217 21 HB3 PRO 13 HB1 PRO 13 -25.616 -2.948 3.567 22 HG2 PRO 13 HG2 PRO 13 -22.949 -4.212 3.855 23 HG3 PRO 13 HG1 PRO 13 -24.411 -4.434 4.825 24 HD2 PRO 13 HD2 PRO 13 -23.485 -6.156 2.846 25 HD3 PRO 13 HD1 PRO 13 -25.123 -6.144 3.520 26 H GLY 14 HN GLY 14 -24.684 -3.180 -0.811 27 HA2 GLY 14 HA2 GLY 14 -21.772 -2.782 -0.805 28 HA3 GLY 14 HA1 GLY 14 -22.737 -3.228 -2.203 29 H VAL 15 HN VAL 15 -24.363 -0.898 -0.540 30 HA VAL 15 HA VAL 15 -23.823 1.116 -2.486 31 HB VAL 15 HB VAL 15 -26.038 0.885 -1.464 32 HG11 VAL 15 HG11 VAL 15 -25.338 0.197 0.768 33 HG12 VAL 15 HG12 VAL 15 -26.452 1.564 0.836 34 HG13 VAL 15 HG13 VAL 15 -24.724 1.821 1.081 35 HG21 VAL 15 HG21 VAL 15 -25.400 3.049 -2.385 36 HG22 VAL 15 HG22 VAL 15 -24.739 3.529 -0.822 37 HG23 VAL 15 HG23 VAL 15 -26.471 3.245 -0.996 38 H PHE 16 HN PHE 16 -22.578 2.905 -2.351 39 HA PHE 16 HA PHE 16 -21.030 4.398 -1.649 40 HB2 PHE 16 HB2 PHE 16 -22.610 4.712 0.276 41 HB3 PHE 16 HB1 PHE 16 -21.677 3.524 1.176 42 HD1 PHE 16 HD1 PHE 16 -21.704 6.904 -0.217 43 HD2 PHE 16 HD2 PHE 16 -19.509 4.076 2.086 44 HE1 PHE 16 HE1 PHE 16 -20.218 8.699 0.566 45 HE2 PHE 16 HE2 PHE 16 -18.021 5.869 2.872 46 HZ PHE 16 HZ PHE 16 -18.374 8.182 2.112 47 H ARG 17 HN ARG 17 -20.511 2.156 1.031 48 HA ARG 17 HA ARG 17 -18.573 1.208 1.793 49 HB2 ARG 17 HB2 ARG 17 -18.616 0.080 -1.003 50 HB3 ARG 17 HB1 ARG 17 -17.796 -0.621 0.384 51 HG2 ARG 17 HG2 ARG 17 -20.763 -0.294 0.025 52 HG3 ARG 17 HG1 ARG 17 -19.849 -1.799 -0.052 53 HD2 ARG 17 HD2 ARG 17 -20.132 -0.032 2.374 54 HD3 ARG 17 HD1 ARG 17 -21.022 -1.523 2.084 55 HE ARG 17 HE ARG 17 -18.209 -1.270 2.822 56 HH11 ARG 17 HH11 ARG 17 -20.894 -3.332 1.936 57 HH12 ARG 17 HH12 ARG 17 -20.166 -4.773 2.578 58 HH21 ARG 17 HH21 ARG 17 -17.256 -3.168 3.709 59 HH22 ARG 17 HH22 ARG 17 -18.096 -4.683 3.566 60 H THR 18 HN THR 18 -17.598 3.470 1.671 61 HA THR 18 HA THR 18 -15.031 3.265 0.359 62 HB THR 18 HB THR 18 -15.604 5.851 -0.333 63 HG1 THR 18 HG1 THR 18 -17.900 4.264 -0.945 64 HG21 THR 18 HG21 THR 18 -14.398 4.228 -1.703 65 HG22 THR 18 HG22 THR 18 -15.646 5.041 -2.645 66 HG23 THR 18 HG23 THR 18 -15.911 3.396 -2.065 67 H ARG 19 HN ARG 19 -13.678 5.255 0.908 68 HA ARG 19 HA ARG 19 -14.464 6.657 3.325 69 HB2 ARG 19 HB2 ARG 19 -13.465 4.569 4.174 70 HB3 ARG 19 HB1 ARG 19 -12.020 4.873 3.224 71 HG2 ARG 19 HG2 ARG 19 -11.633 6.928 4.545 72 HG3 ARG 19 HG1 ARG 19 -13.025 6.506 5.545 73 HD2 ARG 19 HD2 ARG 19 -10.600 4.752 5.153 74 HD3 ARG 19 HD1 ARG 19 -10.839 5.837 6.526 75 HE ARG 19 HE ARG 19 -13.088 4.245 6.408 76 HH11 ARG 19 HH11 ARG 19 -9.642 3.772 6.871 77 HH12 ARG 19 HH12 ARG 19 -9.854 2.336 7.828 78 HH21 ARG 19 HH21 ARG 19 -13.352 2.375 7.674 79 HH22 ARG 19 HH22 ARG 19 -11.956 1.549 8.292 80 H GLY 20 HN GLY 20 -14.379 8.140 1.363 81 HA2 GLY 20 HA2 GLY 20 -13.366 9.878 0.254 82 HA3 GLY 20 HA1 GLY 20 -12.100 9.793 1.472 83 H LEU 21 HN LEU 21 -13.011 7.192 -0.683 84 HA LEU 21 HA LEU 21 -10.262 6.874 -1.399 85 HB2 LEU 21 HB2 LEU 21 -12.589 5.232 -1.454 86 HB3 LEU 21 HB1 LEU 21 -11.900 5.256 -3.068 87 HG LEU 21 HG LEU 21 -9.695 4.681 -2.019 88 HD11 LEU 21 HD11 LEU 21 -11.428 4.344 0.388 89 HD12 LEU 21 HD12 LEU 21 -9.968 5.326 0.198 90 HD13 LEU 21 HD13 LEU 21 -9.855 3.568 0.204 91 HD21 LEU 21 HD21 LEU 21 -10.534 2.890 -3.088 92 HD22 LEU 21 HD22 LEU 21 -12.041 2.907 -2.181 93 HD23 LEU 21 HD23 LEU 21 -10.572 2.267 -1.438 94 H THR 22 HN THR 22 -9.315 8.005 -2.845 95 HA THR 22 HA THR 22 -10.674 9.323 -4.981 96 HB THR 22 HB THR 22 -8.313 9.722 -5.825 97 HG1 THR 22 HG1 THR 22 -7.674 8.498 -3.308 98 HG21 THR 22 HG21 THR 22 -9.444 11.395 -4.499 99 HG22 THR 22 HG22 THR 22 -7.773 11.279 -3.947 100 HG23 THR 22 HG23 THR 22 -9.068 10.531 -3.008 101 H ASP 23 HN ASP 23 -9.783 8.955 -7.281 102 HA ASP 23 HA ASP 23 -10.674 6.475 -8.159 103 HB2 ASP 23 HB2 ASP 23 -8.923 8.554 -9.468 104 HB3 ASP 23 HB1 ASP 23 -9.463 7.112 -10.313 105 H GLU 24 HN GLU 24 -7.400 7.563 -7.419 106 HA GLU 24 HA GLU 24 -6.112 5.270 -8.480 107 HB2 GLU 24 HB2 GLU 24 -4.122 6.097 -7.302 108 HB3 GLU 24 HB1 GLU 24 -4.933 7.376 -8.194 109 HG2 GLU 24 HG2 GLU 24 -5.959 8.162 -6.117 110 HG3 GLU 24 HG1 GLU 24 -5.103 6.901 -5.232 111 H GLU 25 HN GLU 25 -7.184 6.114 -5.185 112 HA GLU 25 HA GLU 25 -6.171 3.768 -3.944 113 HB2 GLU 25 HB2 GLU 25 -8.568 5.424 -3.120 114 HB3 GLU 25 HB1 GLU 25 -7.743 4.240 -2.127 115 HG2 GLU 25 HG2 GLU 25 -5.856 5.567 -1.894 116 HG3 GLU 25 HG1 GLU 25 -6.320 6.637 -3.217 117 H TYR 26 HN TYR 26 -9.248 4.614 -5.417 118 HA TYR 26 HA TYR 26 -10.552 2.192 -4.762 119 HB2 TYR 26 HB2 TYR 26 -11.707 4.327 -5.384 120 HB3 TYR 26 HB1 TYR 26 -11.198 4.052 -7.045 121 HD1 TYR 26 HD2 TYR 26 -13.175 2.576 -4.283 122 HD2 TYR 26 HD1 TYR 26 -12.422 2.642 -8.466 123 HE1 TYR 26 HE2 TYR 26 -15.106 1.122 -4.641 124 HE2 TYR 26 HE1 TYR 26 -14.346 1.178 -8.840 125 HH TYR 26 HH TYR 26 -16.693 0.580 -6.490 126 H ASP 27 HN ASP 27 -8.703 3.258 -7.569 127 HA ASP 27 HA ASP 27 -9.169 0.990 -9.175 128 HB2 ASP 27 HB2 ASP 27 -8.104 3.111 -9.985 129 HB3 ASP 27 HB1 ASP 27 -6.664 2.703 -9.062 130 H GLU 28 HN GLU 28 -6.599 1.749 -6.856 131 HA GLU 28 HA GLU 28 -5.184 -0.658 -6.962 132 HB2 GLU 28 HB2 GLU 28 -4.368 1.344 -5.810 133 HB3 GLU 28 HB1 GLU 28 -5.674 1.231 -4.646 134 HG2 GLU 28 HG2 GLU 28 -4.766 -0.765 -3.721 135 HG3 GLU 28 HG1 GLU 28 -3.543 -0.857 -4.985 136 H PHE 29 HN PHE 29 -7.934 0.348 -5.013 137 HA PHE 29 HA PHE 29 -8.354 -1.976 -3.545 138 HB2 PHE 29 HB2 PHE 29 -9.535 0.030 -2.990 139 HB3 PHE 29 HB1 PHE 29 -10.267 0.115 -4.587 140 HD1 PHE 29 HD1 PHE 29 -10.002 -2.477 -1.931 141 HD2 PHE 29 HD2 PHE 29 -12.514 -0.279 -4.556 142 HE1 PHE 29 HE1 PHE 29 -11.948 -3.690 -1.065 143 HE2 PHE 29 HE2 PHE 29 -14.475 -1.493 -3.698 144 HZ PHE 29 HZ PHE 29 -14.181 -3.194 -1.940 145 H LYS 30 HN LYS 30 -9.637 -1.069 -6.750 146 HA LYS 30 HA LYS 30 -11.228 -3.345 -7.133 147 HB2 LYS 30 HB2 LYS 30 -9.784 -1.698 -9.220 148 HB3 LYS 30 HB1 LYS 30 -11.062 -2.856 -9.554 149 HG2 LYS 30 HG2 LYS 30 -12.535 -1.445 -8.060 150 HG3 LYS 30 HG1 LYS 30 -11.262 -0.233 -8.114 151 HD2 LYS 30 HD2 LYS 30 -12.593 -1.406 -10.552 152 HD3 LYS 30 HD1 LYS 30 -13.069 0.115 -9.796 153 HE2 LYS 30 HE2 LYS 30 -10.956 1.099 -10.270 154 HE3 LYS 30 HE1 LYS 30 -10.289 -0.446 -10.787 155 HZ1 LYS 30 HZ1 LYS 30 -10.850 0.928 -12.676 156 HZ2 LYS 30 HZ2 LYS 30 -12.451 1.054 -12.153 157 HZ3 LYS 30 HZ3 LYS 30 -11.837 -0.444 -12.643 158 H LYS 31 HN LYS 31 -7.887 -2.712 -8.154 159 HA LYS 31 HA LYS 31 -7.419 -5.192 -9.352 160 HB2 LYS 31 HB2 LYS 31 -5.541 -3.251 -8.024 161 HB3 LYS 31 HB1 LYS 31 -4.999 -4.678 -8.901 162 HG2 LYS 31 HG2 LYS 31 -5.909 -3.864 -10.942 163 HG3 LYS 31 HG1 LYS 31 -6.731 -2.543 -10.115 164 HD2 LYS 31 HD2 LYS 31 -3.750 -2.912 -10.353 165 HD3 LYS 31 HD1 LYS 31 -4.728 -1.751 -11.253 166 HE2 LYS 31 HE2 LYS 31 -5.467 -0.907 -8.953 167 HE3 LYS 31 HE1 LYS 31 -4.089 -1.808 -8.328 168 HZ1 LYS 31 HZ1 LYS 31 -3.396 0.410 -8.699 169 HZ2 LYS 31 HZ2 LYS 31 -4.036 0.430 -10.265 170 HZ3 LYS 31 HZ3 LYS 31 -2.689 -0.532 -9.912 171 H ARG 32 HN ARG 32 -6.981 -4.106 -6.031 172 HA ARG 32 HA ARG 32 -5.930 -6.494 -4.993 173 HB2 ARG 32 HB2 ARG 32 -7.428 -4.218 -3.772 174 HB3 ARG 32 HB1 ARG 32 -6.890 -5.576 -2.805 175 HG2 ARG 32 HG2 ARG 32 -4.583 -5.126 -3.499 176 HG3 ARG 32 HG1 ARG 32 -5.147 -3.733 -4.422 177 HD2 ARG 32 HD2 ARG 32 -5.963 -2.697 -2.392 178 HD3 ARG 32 HD1 ARG 32 -5.463 -4.102 -1.450 179 HE ARG 32 HE ARG 32 -3.450 -2.621 -2.980 180 HH11 ARG 32 HH11 ARG 32 -4.782 -3.602 0.108 181 HH12 ARG 32 HH12 ARG 32 -3.408 -3.053 1.014 182 HH21 ARG 32 HH21 ARG 32 -1.653 -1.893 -1.793 183 HH22 ARG 32 HH22 ARG 32 -1.626 -2.079 -0.069 184 H ARG 33 HN ARG 33 -9.241 -5.297 -5.236 185 HA ARG 33 HA ARG 33 -10.484 -7.496 -3.981 186 HB2 ARG 33 HB2 ARG 33 -11.569 -5.322 -4.266 187 HB3 ARG 33 HB1 ARG 33 -11.576 -5.532 -6.004 188 HG2 ARG 33 HG2 ARG 33 -13.272 -7.100 -5.936 189 HG3 ARG 33 HG1 ARG 33 -12.972 -7.508 -4.248 190 HD2 ARG 33 HD2 ARG 33 -13.732 -5.273 -3.600 191 HD3 ARG 33 HD1 ARG 33 -14.130 -4.922 -5.276 192 HE ARG 33 HE ARG 33 -15.418 -7.290 -4.316 193 HH11 ARG 33 HH11 ARG 33 -15.611 -3.801 -4.459 194 HH12 ARG 33 HH12 ARG 33 -17.292 -3.746 -4.044 195 HH21 ARG 33 HH21 ARG 33 -17.646 -7.229 -3.798 196 HH22 ARG 33 HH22 ARG 33 -18.459 -5.699 -3.698 197 H GLU 34 HN GLU 34 -9.533 -6.878 -7.296 198 HA GLU 34 HA GLU 34 -10.759 -9.126 -8.475 199 HB2 GLU 34 HB2 GLU 34 -9.792 -7.211 -9.730 200 HB3 GLU 34 HB1 GLU 34 -8.183 -7.754 -9.266 201 HG2 GLU 34 HG2 GLU 34 -8.436 -9.773 -10.528 202 HG3 GLU 34 HG1 GLU 34 -10.123 -9.397 -10.872 203 H SER 35 HN SER 35 -7.621 -8.659 -6.917 204 HA SER 35 HA SER 35 -6.573 -11.222 -7.416 205 HB2 SER 35 HB2 SER 35 -6.017 -9.450 -5.029 206 HB3 SER 35 HB1 SER 35 -4.968 -10.710 -5.678 207 HG SER 35 HG SER 35 -5.462 -9.121 -7.689 208 H ARG 36 HN ARG 36 -8.991 -10.127 -5.230 209 HA ARG 36 HA ARG 36 -8.865 -12.622 -3.695 210 HB2 ARG 36 HB2 ARG 36 -10.110 -9.952 -3.217 211 HB3 ARG 36 HB1 ARG 36 -10.786 -11.347 -2.408 212 HG2 ARG 36 HG2 ARG 36 -9.313 -10.685 -0.815 213 HG3 ARG 36 HG1 ARG 36 -8.241 -11.729 -1.755 214 HD2 ARG 36 HD2 ARG 36 -7.634 -9.651 -3.065 215 HD3 ARG 36 HD1 ARG 36 -8.473 -8.744 -1.820 216 HE ARG 36 HE ARG 36 -6.805 -10.075 -0.302 217 HH11 ARG 36 HH11 ARG 36 -6.192 -8.575 -3.399 218 HH12 ARG 36 HH12 ARG 36 -4.508 -8.301 -3.083 219 HH21 ARG 36 HH21 ARG 36 -4.590 -9.703 0.135 220 HH22 ARG 36 HH22 ARG 36 -3.594 -8.946 -1.069 221 H GLY 37 HN GLY 37 -10.059 -11.848 -6.517 222 HA2 GLY 37 HA2 GLY 37 -11.735 -12.700 -7.833 223 HA3 GLY 37 HA1 GLY 37 -12.032 -13.862 -6.552 224 H GLY 38 HN GLY 38 -12.235 -10.410 -6.071 225 HA2 GLY 38 HA2 GLY 38 -14.155 -9.053 -6.017 226 HA3 GLY 38 HA1 GLY 38 -15.153 -10.477 -6.201 227 H LYS 39 HN LYS 39 -13.435 -11.750 -4.038 228 HA LYS 39 HA LYS 39 -15.157 -11.004 -1.857 229 HB2 LYS 39 HB2 LYS 39 -12.852 -12.936 -1.890 230 HB3 LYS 39 HB1 LYS 39 -14.093 -12.806 -0.649 231 HG2 LYS 39 HG2 LYS 39 -15.704 -13.217 -2.670 232 HG3 LYS 39 HG1 LYS 39 -14.259 -13.928 -3.387 233 HD2 LYS 39 HD2 LYS 39 -13.998 -15.311 -1.338 234 HD3 LYS 39 HD1 LYS 39 -15.545 -14.677 -0.780 235 HE2 LYS 39 HE2 LYS 39 -15.128 -16.213 -3.341 236 HE3 LYS 39 HE1 LYS 39 -15.727 -16.909 -1.839 237 HZ1 LYS 39 HZ1 LYS 39 -17.609 -15.368 -1.953 238 HZ2 LYS 39 HZ2 LYS 39 -17.549 -16.391 -3.295 239 HZ3 LYS 39 HZ3 LYS 39 -17.047 -14.783 -3.435 240 H TYR 40 HN TYR 40 -14.131 -8.738 -2.084 241 HA TYR 40 HA TYR 40 -12.142 -8.448 0.017 242 HB2 TYR 40 HB2 TYR 40 -10.932 -8.663 -2.195 243 HB3 TYR 40 HB1 TYR 40 -11.718 -7.167 -2.674 244 HD1 TYR 40 HD2 TYR 40 -9.897 -8.368 0.358 245 HD2 TYR 40 HD1 TYR 40 -10.301 -5.358 -2.613 246 HE1 TYR 40 HE2 TYR 40 -8.085 -7.095 1.415 247 HE2 TYR 40 HE1 TYR 40 -8.473 -4.081 -1.576 248 HH TYR 40 HH TYR 40 -6.416 -5.399 0.769 249 H SER 41 HN SER 41 -13.466 -7.219 1.304 250 HA SER 41 HA SER 41 -15.262 -5.308 0.143 251 HB2 SER 41 HB2 SER 41 -14.824 -4.880 2.922 252 HB3 SER 41 HB1 SER 41 -16.289 -5.384 2.113 253 HG SER 41 HG SER 41 -14.182 -7.007 3.101 254 H ILE 42 HN ILE 42 -15.277 -3.026 0.787 255 HA ILE 42 HA ILE 42 -12.827 -1.772 0.284 256 HB ILE 42 HB ILE 42 -15.188 -0.779 0.111 257 HG12 ILE 42 HG12 ILE 42 -14.105 1.527 0.917 258 HG13 ILE 42 HG11 ILE 42 -12.671 0.508 0.978 259 HG21 ILE 42 HG21 ILE 42 -14.586 -0.068 2.973 260 HG22 ILE 42 HG22 ILE 42 -15.874 -1.147 2.425 261 HG23 ILE 42 HG23 ILE 42 -15.920 0.566 2.003 262 HD11 ILE 42 HD11 ILE 42 -12.977 -0.080 -1.351 263 HD12 ILE 42 HD12 ILE 42 -12.806 1.657 -1.120 264 HD13 ILE 42 HD13 ILE 42 -14.398 0.961 -1.423 265 H ASP 43 HN ASP 43 -14.371 -2.755 3.279 266 HA ASP 43 HA ASP 43 -12.794 -1.281 5.071 267 HB2 ASP 43 HB2 ASP 43 -14.087 -3.955 5.513 268 HB3 ASP 43 HB1 ASP 43 -13.560 -2.853 6.768 269 H ASP 44 HN ASP 44 -12.380 -4.468 3.655 270 HA ASP 44 HA ASP 44 -10.077 -5.259 5.040 271 HB2 ASP 44 HB2 ASP 44 -11.055 -5.907 2.256 272 HB3 ASP 44 HB1 ASP 44 -9.639 -6.655 2.970 273 H TYR 45 HN TYR 45 -10.536 -3.367 2.113 274 HA TYR 45 HA TYR 45 -7.767 -2.893 1.648 275 HB2 TYR 45 HB2 TYR 45 -9.300 -2.641 -0.188 276 HB3 TYR 45 HB1 TYR 45 -10.248 -1.450 0.696 277 HD1 TYR 45 HD2 TYR 45 -6.992 -2.056 -0.928 278 HD2 TYR 45 HD1 TYR 45 -9.654 0.852 0.669 279 HE1 TYR 45 HE2 TYR 45 -5.579 -0.280 -1.868 280 HE2 TYR 45 HE1 TYR 45 -8.231 2.664 -0.247 281 HH TYR 45 HH TYR 45 -5.572 1.977 -2.421 282 H LEU 46 HN LEU 46 -10.344 -1.124 3.262 283 HA LEU 46 HA LEU 46 -9.009 1.294 3.618 284 HB2 LEU 46 HB2 LEU 46 -11.236 0.017 5.186 285 HB3 LEU 46 HB1 LEU 46 -10.705 1.664 5.437 286 HG LEU 46 HG LEU 46 -11.895 0.551 2.902 287 HD11 LEU 46 HD11 LEU 46 -13.537 0.893 4.651 288 HD12 LEU 46 HD12 LEU 46 -13.723 2.103 3.382 289 HD13 LEU 46 HD13 LEU 46 -12.950 2.536 4.907 290 HD21 LEU 46 HD21 LEU 46 -10.826 3.288 3.541 291 HD22 LEU 46 HD22 LEU 46 -11.841 2.916 2.148 292 HD23 LEU 46 HD23 LEU 46 -10.249 2.174 2.303 293 H ALA 47 HN ALA 47 -9.099 -1.584 5.663 294 HA ALA 47 HA ALA 47 -7.592 -0.542 7.828 295 HB1 ALA 47 HB1 ALA 47 -7.205 -2.858 8.418 296 HB2 ALA 47 HB2 ALA 47 -7.662 -3.382 6.796 297 HB3 ALA 47 HB3 ALA 47 -8.875 -2.674 7.868 298 H ASP 48 HN ASP 48 -6.617 -2.347 4.933 299 HA ASP 48 HA ASP 48 -3.839 -2.159 5.393 300 HB2 ASP 48 HB2 ASP 48 -5.601 -2.948 3.178 301 HB3 ASP 48 HB1 ASP 48 -4.055 -2.289 2.667 302 H ARG 49 HN ARG 49 -6.173 -0.027 3.954 303 HA ARG 49 HA ARG 49 -4.450 1.828 2.716 304 HB2 ARG 49 HB2 ARG 49 -6.814 1.758 2.225 305 HB3 ARG 49 HB1 ARG 49 -7.202 2.129 3.896 306 HG2 ARG 49 HG2 ARG 49 -6.227 4.336 3.655 307 HG3 ARG 49 HG1 ARG 49 -5.793 3.970 1.980 308 HD2 ARG 49 HD2 ARG 49 -8.091 3.706 1.398 309 HD3 ARG 49 HD1 ARG 49 -8.602 3.921 3.063 310 HE ARG 49 HE ARG 49 -7.761 5.990 1.186 311 HH11 ARG 49 HH11 ARG 49 -8.354 5.217 4.565 312 HH12 ARG 49 HH12 ARG 49 -8.826 6.832 4.977 313 HH21 ARG 49 HH21 ARG 49 -8.388 8.110 1.746 314 HH22 ARG 49 HH22 ARG 49 -8.860 8.471 3.376 315 H GLU 50 HN GLU 50 -5.929 1.686 5.924 316 HA GLU 50 HA GLU 50 -4.861 4.043 6.971 317 HB2 GLU 50 HB2 GLU 50 -5.552 1.464 8.390 318 HB3 GLU 50 HB1 GLU 50 -5.280 3.020 9.179 319 HG2 GLU 50 HG2 GLU 50 -7.458 2.319 7.245 320 HG3 GLU 50 HG1 GLU 50 -7.638 2.607 8.970 321 H ARG 51 HN ARG 51 -3.481 0.914 6.440 322 HA ARG 51 HA ARG 51 -1.074 1.411 7.921 323 HB2 ARG 51 HB2 ARG 51 -1.594 -0.642 5.774 324 HB3 ARG 51 HB1 ARG 51 -0.250 -0.634 6.906 325 HG2 ARG 51 HG2 ARG 51 -2.464 -0.540 8.536 326 HG3 ARG 51 HG1 ARG 51 -2.949 -1.624 7.235 327 HD2 ARG 51 HD2 ARG 51 -0.902 -2.925 7.571 328 HD3 ARG 51 HD1 ARG 51 -0.445 -1.851 8.890 329 HE ARG 51 HE ARG 51 -2.757 -2.684 9.806 330 HH11 ARG 51 HH11 ARG 51 -0.291 -4.542 8.163 331 HH12 ARG 51 HH12 ARG 51 -0.690 -6.026 8.965 332 HH21 ARG 51 HH21 ARG 51 -3.277 -4.647 10.881 333 HH22 ARG 51 HH22 ARG 51 -2.380 -6.087 10.505 334 H GLU 52 HN GLU 52 -1.960 1.275 4.514 335 HA GLU 52 HA GLU 52 0.437 1.884 3.312 336 HB2 GLU 52 HB2 GLU 52 -2.321 2.773 2.471 337 HB3 GLU 52 HB1 GLU 52 -0.893 2.855 1.453 338 HG2 GLU 52 HG2 GLU 52 -2.092 0.337 2.581 339 HG3 GLU 52 HG1 GLU 52 -2.294 0.927 0.936 340 H GLU 53 HN GLU 53 -1.873 4.099 4.781 341 HA GLU 53 HA GLU 53 -0.916 6.498 3.797 342 HB2 GLU 53 HB2 GLU 53 -2.130 5.899 6.495 343 HB3 GLU 53 HB1 GLU 53 -1.879 7.522 5.865 344 HG2 GLU 53 HG2 GLU 53 -3.564 5.420 4.516 345 HG3 GLU 53 HG1 GLU 53 -4.194 6.661 5.598 346 H GLU 54 HN GLU 54 0.139 4.818 6.769 347 HA GLU 54 HA GLU 54 2.133 6.805 7.327 348 HB2 GLU 54 HB2 GLU 54 2.848 5.338 9.142 349 HB3 GLU 54 HB1 GLU 54 1.103 5.541 9.156 350 HG2 GLU 54 HG2 GLU 54 0.773 3.364 8.233 351 HG3 GLU 54 HG1 GLU 54 2.504 3.160 7.957 352 H LEU 55 HN LEU 55 1.941 4.123 5.309 353 HA LEU 55 HA LEU 55 4.800 3.609 5.274 354 HB2 LEU 55 HB2 LEU 55 2.616 2.432 3.550 355 HB3 LEU 55 HB1 LEU 55 4.259 1.833 3.705 356 HG LEU 55 HG LEU 55 2.261 1.916 5.969 357 HD11 LEU 55 HD11 LEU 55 3.128 -0.448 4.318 358 HD12 LEU 55 HD12 LEU 55 1.565 0.362 4.201 359 HD13 LEU 55 HD13 LEU 55 2.020 -0.465 5.692 360 HD21 LEU 55 HD21 LEU 55 3.852 0.437 7.093 361 HD22 LEU 55 HD22 LEU 55 4.568 2.004 6.719 362 HD23 LEU 55 HD23 LEU 55 4.960 0.597 5.729 363 H LEU 56 HN LEU 56 2.466 5.500 3.624 364 HA LEU 56 HA LEU 56 4.124 6.024 1.315 365 HB2 LEU 56 HB2 LEU 56 1.703 7.526 2.323 366 HB3 LEU 56 HB1 LEU 56 2.450 7.715 0.751 367 HG LEU 56 HG LEU 56 1.020 5.248 1.743 368 HD11 LEU 56 HD11 LEU 56 -0.649 5.833 0.062 369 HD12 LEU 56 HD12 LEU 56 0.253 7.296 -0.332 370 HD13 LEU 56 HD13 LEU 56 -0.475 7.113 1.264 371 HD21 LEU 56 HD21 LEU 56 1.286 4.430 -0.551 372 HD22 LEU 56 HD22 LEU 56 2.845 4.668 0.238 373 HD23 LEU 56 HD23 LEU 56 2.264 5.844 -0.940 374 H GLU 57 HN GLU 57 3.058 7.799 4.191 375 HA GLU 57 HA GLU 57 5.487 9.443 3.970 376 HB2 GLU 57 HB2 GLU 57 2.775 10.318 4.991 377 HB3 GLU 57 HB1 GLU 57 4.237 11.294 5.013 378 HG2 GLU 57 HG2 GLU 57 4.311 11.171 2.548 379 HG3 GLU 57 HG1 GLU 57 2.775 10.302 2.579 380 H ARG 58 HN ARG 58 6.774 9.382 5.677 381 HA ARG 58 HA ARG 58 6.379 7.448 7.686 382 HB2 ARG 58 HB2 ARG 58 8.399 9.685 7.519 383 HB3 ARG 58 HB1 ARG 58 8.485 8.335 8.640 384 HG2 ARG 58 HG2 ARG 58 8.862 6.787 6.901 385 HG3 ARG 58 HG1 ARG 58 8.414 7.962 5.664 386 HD2 ARG 58 HD2 ARG 58 10.825 8.117 7.468 387 HD3 ARG 58 HD1 ARG 58 10.834 7.668 5.763 388 HE ARG 58 HE ARG 58 9.622 10.203 6.128 389 HH11 ARG 58 HH11 ARG 58 12.755 8.641 6.101 390 HH12 ARG 58 HH12 ARG 58 13.597 10.067 5.589 391 HH21 ARG 58 HH21 ARG 58 10.721 12.082 5.468 392 HH22 ARG 58 HH22 ARG 58 12.443 12.021 5.227 393 H ASP 59 HN ASP 59 5.244 7.553 9.471 394 HA ASP 59 HA ASP 59 3.964 9.896 10.399 395 HB2 ASP 59 HB2 ASP 59 3.168 8.533 12.234 396 HB3 ASP 59 HB1 ASP 59 3.099 7.596 10.745 397 H GLU 60 HN GLU 60 7.084 8.577 11.017 398 HA GLU 60 HA GLU 60 7.452 9.975 13.524 399 HB2 GLU 60 HB2 GLU 60 9.404 8.476 11.774 400 HB3 GLU 60 HB1 GLU 60 9.807 9.181 13.331 401 HG2 GLU 60 HG2 GLU 60 8.159 7.711 14.399 402 HG3 GLU 60 HG1 GLU 60 7.825 6.977 12.831 403 H GLU 61 HN GLU 61 7.515 10.886 10.298 404 HA GLU 61 HA GLU 61 9.898 12.434 10.270 405 HB2 GLU 61 HB2 GLU 61 8.767 11.581 8.217 406 HB3 GLU 61 HB1 GLU 61 7.487 12.759 8.482 407 HG2 GLU 61 HG2 GLU 61 9.209 14.553 8.371 408 HG3 GLU 61 HG1 GLU 61 10.385 13.323 7.911 409 H GLU 62 HN GLU 62 6.519 13.616 10.087 410 HA GLU 62 HA GLU 62 7.053 15.634 12.050 411 HB2 GLU 62 HB2 GLU 62 8.165 16.612 10.101 412 HB3 GLU 62 HB1 GLU 62 6.685 16.483 9.174 413 HG2 GLU 62 HG2 GLU 62 5.600 18.083 10.625 414 HG3 GLU 62 HG1 GLU 62 7.036 18.163 11.645 415 H ALA 63 HN ALA 63 4.846 16.146 9.344 416 HA ALA 63 HA ALA 63 2.645 15.775 11.265 417 HB1 ALA 63 HB1 ALA 63 1.480 17.602 10.200 418 HB2 ALA 63 HB2 ALA 63 2.779 17.779 9.023 419 HB3 ALA 63 HB3 ALA 63 3.077 18.132 10.722 420 H ILE 64 HN ILE 64 2.318 13.658 10.595 421 HA ILE 64 HA ILE 64 0.934 13.409 8.017 422 HB ILE 64 HB ILE 64 2.838 11.360 9.162 423 HG12 ILE 64 HG12 ILE 64 3.909 11.800 6.810 424 HG13 ILE 64 HG11 ILE 64 3.085 13.344 6.933 425 HG21 ILE 64 HG21 ILE 64 1.211 11.282 6.625 426 HG22 ILE 64 HG22 ILE 64 0.922 10.323 8.078 427 HG23 ILE 64 HG23 ILE 64 2.391 10.073 7.134 428 HD11 ILE 64 HD11 ILE 64 5.118 12.253 8.863 429 HD12 ILE 64 HD12 ILE 64 4.267 13.788 9.033 430 HD13 ILE 64 HD13 ILE 64 5.372 13.537 7.681 431 H PHE 65 HN PHE 65 1.658 11.906 11.081 432 HA PHE 65 HA PHE 65 -0.708 10.295 11.152 433 HB2 PHE 65 HB2 PHE 65 0.136 9.536 13.287 434 HB3 PHE 65 HB1 PHE 65 1.499 9.656 12.175 435 HD1 PHE 65 HD2 PHE 65 2.812 11.910 12.238 436 HD2 PHE 65 HD1 PHE 65 0.293 10.515 15.373 437 HE1 PHE 65 HE2 PHE 65 3.958 13.400 13.807 438 HE2 PHE 65 HE1 PHE 65 1.440 12.006 16.958 439 HZ PHE 65 HZ PHE 65 3.275 13.451 16.179 440 H GLY 66 HN GLY 66 -2.368 10.465 12.760 441 HA2 GLY 66 HA2 GLY 66 -3.903 11.541 14.073 442 HA3 GLY 66 HA1 GLY 66 -2.522 12.360 14.778 443 H ASP 67 HN ASP 67 -2.874 14.448 14.862 444 HA ASP 67 HA ASP 67 -4.468 15.705 12.734 445 HB2 ASP 67 HB2 ASP 67 -5.089 17.403 14.390 446 HB3 ASP 67 HB1 ASP 67 -5.507 15.790 14.957 447 H GLY 68 HN GLY 68 -1.351 15.322 13.330 448 HA2 GLY 68 HA2 GLY 68 -0.298 17.186 11.736 449 HA3 GLY 68 HA1 GLY 68 -0.544 18.115 13.205 450 H PHE 69 HN PHE 69 1.643 18.477 13.508 451 HA PHE 69 HA PHE 69 3.412 16.173 13.654 452 HB2 PHE 69 HB2 PHE 69 5.211 17.961 13.908 453 HB3 PHE 69 HB1 PHE 69 4.370 17.897 12.369 454 HD1 PHE 69 HD2 PHE 69 2.541 19.598 11.928 455 HD2 PHE 69 HD1 PHE 69 5.267 19.921 15.176 456 HE1 PHE 69 HE2 PHE 69 2.028 21.995 12.114 457 HE2 PHE 69 HE1 PHE 69 4.759 22.319 15.368 458 HZ PHE 69 HZ PHE 69 3.140 23.358 13.836 459 H GLY 70 HN GLY 70 2.041 15.599 15.608 460 HA2 GLY 70 HA2 GLY 70 2.672 17.015 18.052 461 HA3 GLY 70 HA1 GLY 70 1.727 15.539 17.910 462 H LEU 71 HN LEU 71 5.033 16.297 16.894 463 HA LEU 71 HA LEU 71 5.959 13.935 18.380 464 HB2 LEU 71 HB2 LEU 71 7.207 15.411 16.058 465 HB3 LEU 71 HB1 LEU 71 7.916 14.023 16.861 466 HG LEU 71 HG LEU 71 5.263 13.950 15.433 467 HD11 LEU 71 HD11 LEU 71 7.990 13.119 14.460 468 HD12 LEU 71 HD12 LEU 71 7.026 14.460 13.846 469 HD13 LEU 71 HD13 LEU 71 6.465 12.802 13.633 470 HD21 LEU 71 HD21 LEU 71 5.522 12.237 17.137 471 HD22 LEU 71 HD22 LEU 71 7.082 11.774 16.456 472 HD23 LEU 71 HD23 LEU 71 5.605 11.523 15.526 473 H LYS 72 HN LYS 72 8.745 14.723 18.207 474 HA LYS 72 HA LYS 72 8.905 16.325 20.559 475 HB2 LYS 72 HB2 LYS 72 11.085 15.423 18.671 476 HB3 LYS 72 HB1 LYS 72 11.346 16.144 20.254 477 HG2 LYS 72 HG2 LYS 72 10.127 14.255 21.272 478 HG3 LYS 72 HG1 LYS 72 9.990 13.522 19.676 479 HD2 LYS 72 HD2 LYS 72 12.438 13.454 19.514 480 HD3 LYS 72 HD1 LYS 72 12.556 14.160 21.128 481 HE2 LYS 72 HE2 LYS 72 11.285 11.515 20.428 482 HE3 LYS 72 HE1 LYS 72 12.855 11.738 21.198 483 HZ1 LYS 72 HZ1 LYS 72 11.729 12.779 23.077 484 HZ2 LYS 72 HZ2 LYS 72 11.163 11.207 22.821 485 HZ3 LYS 72 HZ3 LYS 72 10.228 12.529 22.340 486 H ALA 73 HN ALA 73 8.481 17.101 17.354 487 HA ALA 73 HA ALA 73 9.924 19.562 17.259 488 HB1 ALA 73 HB1 ALA 73 7.601 18.622 15.583 489 HB2 ALA 73 HB2 ALA 73 9.306 18.355 15.227 490 HB3 ALA 73 HB3 ALA 73 8.651 19.992 15.222 491 H THR 74 HN THR 74 7.038 18.581 18.779 492 HA THR 74 HA THR 74 6.195 21.384 19.040 493 HB THR 74 HB THR 74 4.048 20.094 19.983 494 HG1 THR 74 HG1 THR 74 4.371 18.412 17.848 495 HG21 THR 74 HG21 THR 74 3.040 20.372 17.754 496 HG22 THR 74 HG22 THR 74 4.651 20.602 17.071 497 HG23 THR 74 HG23 THR 74 4.010 21.768 18.227 498 H ARG 75 HN ARG 75 7.891 21.580 20.691 499 HA ARG 75 HA ARG 75 7.563 20.165 23.168 500 HB2 ARG 75 HB2 ARG 75 9.227 22.577 22.438 501 HB3 ARG 75 HB1 ARG 75 9.242 21.826 24.027 502 HG2 ARG 75 HG2 ARG 75 9.968 19.705 22.949 503 HG3 ARG 75 HG1 ARG 75 10.093 20.581 21.422 504 HD2 ARG 75 HD2 ARG 75 12.269 20.419 22.497 505 HD3 ARG 75 HD1 ARG 75 11.732 22.097 22.432 506 HE ARG 75 HE ARG 75 10.896 21.222 24.878 507 HH11 ARG 75 HH11 ARG 75 13.989 21.304 23.239 508 HH12 ARG 75 HH12 ARG 75 14.906 21.476 24.699 509 HH21 ARG 75 HH21 ARG 75 12.100 21.428 26.810 510 HH22 ARG 75 HH22 ARG 75 13.829 21.548 26.739 511 H ARG 76 HN ARG 76 5.787 22.508 21.731 512 HA ARG 76 HA ARG 76 5.140 24.265 23.840 513 HB2 ARG 76 HB2 ARG 76 3.146 24.800 22.550 514 HB3 ARG 76 HB1 ARG 76 4.532 24.675 21.475 515 HG2 ARG 76 HG2 ARG 76 3.819 22.392 20.868 516 HG3 ARG 76 HG1 ARG 76 2.399 22.588 21.893 517 HD2 ARG 76 HD2 ARG 76 1.731 24.535 20.507 518 HD3 ARG 76 HD1 ARG 76 3.096 24.199 19.442 519 HE ARG 76 HE ARG 76 1.253 21.999 19.867 520 HH11 ARG 76 HH11 ARG 76 2.176 24.685 17.810 521 HH12 ARG 76 HH12 ARG 76 1.332 24.068 16.427 522 HH21 ARG 76 HH21 ARG 76 0.155 21.194 18.051 523 HH22 ARG 76 HH22 ARG 76 0.190 22.081 16.556 524 H SER 77 HN SER 77 4.385 20.981 23.251 525 HA SER 77 HA SER 77 1.939 20.756 24.630 526 HB2 SER 77 HB2 SER 77 4.064 18.656 24.234 527 HB3 SER 77 HB1 SER 77 2.358 18.373 24.563 528 HG SER 77 HG SER 77 1.840 19.000 22.554 529 H ARG 78 HN ARG 78 1.801 21.498 26.670 530 HA ARG 78 HA ARG 78 3.819 20.588 28.612 531 HB2 ARG 78 HB2 ARG 78 1.896 22.916 28.756 532 HB3 ARG 78 HB1 ARG 78 2.954 22.419 30.068 533 HG2 ARG 78 HG2 ARG 78 3.902 23.318 27.356 534 HG3 ARG 78 HG1 ARG 78 3.793 24.355 28.777 535 HD2 ARG 78 HD2 ARG 78 6.047 23.661 28.633 536 HD3 ARG 78 HD1 ARG 78 5.327 22.720 29.936 537 HE ARG 78 HE ARG 78 5.176 21.310 27.478 538 HH11 ARG 78 HH11 ARG 78 7.427 22.216 30.000 539 HH12 ARG 78 HH12 ARG 78 8.474 20.860 29.720 540 HH21 ARG 78 HH21 ARG 78 6.558 19.537 27.104 541 HH22 ARG 78 HH22 ARG 78 7.986 19.344 28.076 542 H LYS 79 HN LYS 79 0.488 20.479 27.711 543 HA LYS 79 HA LYS 79 -0.053 18.739 30.017 544 HB2 LYS 79 HB2 LYS 79 -2.322 19.704 30.188 545 HB3 LYS 79 HB1 LYS 79 -1.062 20.883 30.532 546 HG2 LYS 79 HG2 LYS 79 -1.323 21.861 28.343 547 HG3 LYS 79 HG1 LYS 79 -2.494 20.621 27.895 548 HD2 LYS 79 HD2 LYS 79 -3.630 22.682 28.493 549 HD3 LYS 79 HD1 LYS 79 -3.994 21.419 29.669 550 HE2 LYS 79 HE2 LYS 79 -2.367 22.358 31.209 551 HE3 LYS 79 HE1 LYS 79 -1.924 23.585 30.024 552 HZ1 LYS 79 HZ1 LYS 79 -4.138 24.490 30.161 553 HZ2 LYS 79 HZ2 LYS 79 -3.460 24.425 31.706 554 HZ3 LYS 79 HZ3 LYS 79 -4.614 23.281 31.241 555 H ALA 80 HN ALA 80 0.625 18.221 27.205 556 HA ALA 80 HA ALA 80 -1.725 17.427 25.808 557 HB1 ALA 80 HB1 ALA 80 1.128 16.524 25.416 558 HB2 ALA 80 HB2 ALA 80 0.370 17.916 24.645 559 HB3 ALA 80 HB3 ALA 80 -0.202 16.290 24.283 560 H GLU 81 HN GLU 81 -2.976 15.782 26.223 561 HA GLU 81 HA GLU 81 -3.806 13.808 26.942 562 HB2 GLU 81 HB2 GLU 81 -1.875 12.803 25.721 563 HB3 GLU 81 HB1 GLU 81 -0.938 12.889 27.207 564 HG2 GLU 81 HG2 GLU 81 -1.860 10.653 26.775 565 HG3 GLU 81 HG1 GLU 81 -2.416 11.347 28.296 566 H ARG 82 HN ARG 82 -0.800 14.129 28.829 567 HA ARG 82 HA ARG 82 -2.228 13.591 31.269 568 HB2 ARG 82 HB2 ARG 82 0.010 12.702 31.040 569 HB3 ARG 82 HB1 ARG 82 0.660 14.305 30.733 570 HG2 ARG 82 HG2 ARG 82 1.169 13.582 32.992 571 HG3 ARG 82 HG1 ARG 82 0.094 14.979 33.012 572 HD2 ARG 82 HD2 ARG 82 -0.657 13.401 34.658 573 HD3 ARG 82 HD1 ARG 82 -1.823 13.437 33.337 574 HE ARG 82 HE ARG 82 0.092 11.391 32.924 575 HH11 ARG 82 HH11 ARG 82 -2.752 12.177 34.820 576 HH12 ARG 82 HH12 ARG 82 -3.172 10.517 35.099 577 HH21 ARG 82 HH21 ARG 82 -0.453 9.213 33.300 578 HH22 ARG 82 HH22 ARG 82 -1.864 8.831 34.236 579 H ALA 83 HN ALA 83 -3.650 15.267 31.570 580 HA ALA 83 HA ALA 83 -2.415 17.884 32.152 581 HB1 ALA 83 HB1 ALA 83 -4.535 18.933 31.578 582 HB2 ALA 83 HB2 ALA 83 -5.234 17.356 31.218 583 HB3 ALA 83 HB3 ALA 83 -3.924 17.986 30.222 584 H LYS 84 HN LYS 84 -4.496 15.328 33.185 585 HA LYS 84 HA LYS 84 -5.018 16.707 35.723 586 HB2 LYS 84 HB2 LYS 84 -6.297 14.209 34.588 587 HB3 LYS 84 HB1 LYS 84 -6.742 14.996 36.094 588 HG2 LYS 84 HG2 LYS 84 -6.986 16.233 33.358 589 HG3 LYS 84 HG1 LYS 84 -8.302 15.482 34.259 590 HD2 LYS 84 HD2 LYS 84 -7.904 17.132 36.083 591 HD3 LYS 84 HD1 LYS 84 -6.729 17.932 35.039 592 HE2 LYS 84 HE2 LYS 84 -9.641 17.507 34.374 593 HE3 LYS 84 HE1 LYS 84 -8.954 19.006 34.994 594 HZ1 LYS 84 HZ1 LYS 84 -8.154 17.718 32.441 595 HZ2 LYS 84 HZ2 LYS 84 -7.626 19.215 33.023 596 HZ3 LYS 84 HZ3 LYS 84 -9.238 19.007 32.571 597 H LEU 85 HN LEU 85 -4.009 16.034 37.517 598 HA LEU 85 HA LEU 85 -3.105 13.352 37.885 599 HB2 LEU 85 HB2 LEU 85 -1.362 14.283 36.353 600 HB3 LEU 85 HB1 LEU 85 -0.984 15.477 37.577 601 HG LEU 85 HG LEU 85 -0.355 13.639 39.125 602 HD11 LEU 85 HD11 LEU 85 0.039 11.404 38.144 603 HD12 LEU 85 HD12 LEU 85 -0.800 11.927 36.684 604 HD13 LEU 85 HD13 LEU 85 -1.669 11.838 38.217 605 HD21 LEU 85 HD21 LEU 85 1.761 13.112 38.024 606 HD22 LEU 85 HD22 LEU 85 1.336 14.811 37.823 607 HD23 LEU 85 HD23 LEU 85 1.106 13.681 36.489 Start of MODEL 12 1 H1 GLY 11 HT1 GLY 11 -21.860 13.644 4.104 2 H2 GLY 11 HT2 GLY 11 -22.049 13.645 5.783 3 H3 GLY 11 HT3 GLY 11 -22.689 12.382 4.862 4 HA2 GLY 11 HA1 GLY 11 -19.806 12.993 5.176 5 HA3 GLY 11 HA2 GLY 11 -20.667 11.692 5.987 6 H ARG 12 HN ARG 12 -19.987 9.846 5.118 7 HA ARG 12 HA ARG 12 -19.821 9.682 2.184 8 HB2 ARG 12 HB2 ARG 12 -18.245 8.278 4.331 9 HB3 ARG 12 HB1 ARG 12 -18.288 7.696 2.674 10 HG2 ARG 12 HG2 ARG 12 -17.323 10.398 3.578 11 HG3 ARG 12 HG1 ARG 12 -16.315 9.039 3.070 12 HD2 ARG 12 HD2 ARG 12 -17.470 9.107 0.861 13 HD3 ARG 12 HD1 ARG 12 -18.281 10.581 1.388 14 HE ARG 12 HE ARG 12 -15.565 11.002 1.751 15 HH11 ARG 12 HH11 ARG 12 -17.764 10.416 -0.905 16 HH12 ARG 12 HH12 ARG 12 -16.775 11.229 -2.074 17 HH21 ARG 12 HH21 ARG 12 -14.261 12.097 0.210 18 HH22 ARG 12 HH22 ARG 12 -14.786 12.181 -1.441 19 HA PRO 13 HA PRO 13 -22.941 6.654 2.266 20 HB2 PRO 13 HB2 PRO 13 -22.336 5.170 0.079 21 HB3 PRO 13 HB1 PRO 13 -23.012 6.795 -0.015 22 HG2 PRO 13 HG2 PRO 13 -20.231 5.864 -0.431 23 HG3 PRO 13 HG1 PRO 13 -21.102 7.197 -1.205 24 HD2 PRO 13 HD2 PRO 13 -19.244 7.454 0.832 25 HD3 PRO 13 HD1 PRO 13 -20.442 8.675 0.382 26 H GLY 14 HN GLY 14 -23.258 4.934 3.506 27 HA2 GLY 14 HA2 GLY 14 -20.977 3.321 4.272 28 HA3 GLY 14 HA1 GLY 14 -22.576 3.282 4.994 29 H VAL 15 HN VAL 15 -23.638 3.034 2.123 30 HA VAL 15 HA VAL 15 -24.068 0.288 2.100 31 HB VAL 15 HB VAL 15 -25.537 1.753 0.883 32 HG11 VAL 15 HG11 VAL 15 -24.873 2.861 -1.197 33 HG12 VAL 15 HG12 VAL 15 -23.215 2.315 -0.951 34 HG13 VAL 15 HG13 VAL 15 -23.948 3.448 0.186 35 HG21 VAL 15 HG21 VAL 15 -24.101 -0.120 -0.990 36 HG22 VAL 15 HG22 VAL 15 -25.704 0.561 -1.259 37 HG23 VAL 15 HG23 VAL 15 -25.429 -0.535 0.094 38 H PHE 16 HN PHE 16 -21.611 2.182 0.394 39 HA PHE 16 HA PHE 16 -20.294 -0.348 -0.318 40 HB2 PHE 16 HB2 PHE 16 -20.886 1.325 -2.158 41 HB3 PHE 16 HB1 PHE 16 -19.642 2.365 -1.470 42 HD1 PHE 16 HD2 PHE 16 -17.290 1.760 -1.621 43 HD2 PHE 16 HD1 PHE 16 -20.322 -0.684 -3.335 44 HE1 PHE 16 HE2 PHE 16 -15.584 0.563 -2.927 45 HE2 PHE 16 HE1 PHE 16 -18.623 -1.885 -4.644 46 HZ PHE 16 HZ PHE 16 -16.252 -1.261 -4.444 47 H ARG 17 HN ARG 17 -20.015 2.682 1.327 48 HA ARG 17 HA ARG 17 -18.613 3.499 2.867 49 HB2 ARG 17 HB2 ARG 17 -18.955 1.340 3.970 50 HB3 ARG 17 HB1 ARG 17 -17.624 0.653 3.052 51 HG2 ARG 17 HG2 ARG 17 -16.943 1.176 5.314 52 HG3 ARG 17 HG1 ARG 17 -16.073 2.176 4.154 53 HD2 ARG 17 HD2 ARG 17 -17.702 4.004 4.599 54 HD3 ARG 17 HD1 ARG 17 -18.412 3.001 5.865 55 HE ARG 17 HE ARG 17 -15.871 3.030 6.634 56 HH11 ARG 17 HH11 ARG 17 -18.007 5.628 5.678 57 HH12 ARG 17 HH12 ARG 17 -17.090 6.852 6.499 58 HH21 ARG 17 HH21 ARG 17 -14.686 4.631 7.757 59 HH22 ARG 17 HH22 ARG 17 -15.206 6.287 7.689 60 H THR 18 HN THR 18 -17.870 4.348 0.612 61 HA THR 18 HA THR 18 -15.347 3.578 -0.370 62 HB THR 18 HB THR 18 -15.526 6.235 -1.016 63 HG1 THR 18 HG1 THR 18 -18.123 5.733 -1.490 64 HG21 THR 18 HG21 THR 18 -16.893 3.917 -2.387 65 HG22 THR 18 HG22 THR 18 -15.203 4.386 -2.578 66 HG23 THR 18 HG23 THR 18 -16.484 5.462 -3.133 67 H ARG 19 HN ARG 19 -16.318 5.637 2.245 68 HA ARG 19 HA ARG 19 -15.216 6.729 3.889 69 HB2 ARG 19 HB2 ARG 19 -13.870 4.685 4.113 70 HB3 ARG 19 HB1 ARG 19 -12.759 5.282 2.887 71 HG2 ARG 19 HG2 ARG 19 -12.214 7.188 4.342 72 HG3 ARG 19 HG1 ARG 19 -13.281 6.526 5.580 73 HD2 ARG 19 HD2 ARG 19 -11.890 4.492 5.648 74 HD3 ARG 19 HD1 ARG 19 -10.799 5.214 4.457 75 HE ARG 19 HE ARG 19 -10.602 7.055 6.256 76 HH11 ARG 19 HH11 ARG 19 -10.991 3.635 6.941 77 HH12 ARG 19 HH12 ARG 19 -10.087 3.708 8.414 78 HH21 ARG 19 HH21 ARG 19 -9.411 7.131 8.198 79 HH22 ARG 19 HH22 ARG 19 -9.165 5.675 9.113 80 H GLY 20 HN GLY 20 -12.835 6.606 1.267 81 HA2 GLY 20 HA2 GLY 20 -13.256 9.256 0.391 82 HA3 GLY 20 HA1 GLY 20 -11.880 9.211 1.491 83 H LEU 21 HN LEU 21 -12.866 6.628 -0.651 84 HA LEU 21 HA LEU 21 -10.214 6.449 -1.695 85 HB2 LEU 21 HB2 LEU 21 -12.648 4.846 -1.798 86 HB3 LEU 21 HB1 LEU 21 -11.745 4.832 -3.304 87 HG LEU 21 HG LEU 21 -9.716 4.233 -1.935 88 HD11 LEU 21 HD11 LEU 21 -10.179 3.140 0.231 89 HD12 LEU 21 HD12 LEU 21 -11.801 3.834 0.176 90 HD13 LEU 21 HD13 LEU 21 -10.386 4.890 0.225 91 HD21 LEU 21 HD21 LEU 21 -12.061 2.415 -2.261 92 HD22 LEU 21 HD22 LEU 21 -10.512 1.840 -1.645 93 HD23 LEU 21 HD23 LEU 21 -10.611 2.558 -3.252 94 H THR 22 HN THR 22 -9.457 7.698 -3.187 95 HA THR 22 HA THR 22 -11.101 8.982 -5.152 96 HB THR 22 HB THR 22 -8.831 9.612 -6.117 97 HG1 THR 22 HG1 THR 22 -7.197 9.265 -4.254 98 HG21 THR 22 HG21 THR 22 -10.061 11.123 -4.650 99 HG22 THR 22 HG22 THR 22 -8.342 11.188 -4.262 100 HG23 THR 22 HG23 THR 22 -9.447 10.282 -3.226 101 H ASP 23 HN ASP 23 -10.037 8.729 -7.549 102 HA ASP 23 HA ASP 23 -10.867 6.211 -8.445 103 HB2 ASP 23 HB2 ASP 23 -9.269 8.412 -9.723 104 HB3 ASP 23 HB1 ASP 23 -9.532 6.895 -10.568 105 H GLU 24 HN GLU 24 -7.737 7.358 -7.419 106 HA GLU 24 HA GLU 24 -6.325 5.124 -8.549 107 HB2 GLU 24 HB2 GLU 24 -4.351 6.094 -7.516 108 HB3 GLU 24 HB1 GLU 24 -5.280 7.329 -8.351 109 HG2 GLU 24 HG2 GLU 24 -6.246 8.003 -6.174 110 HG3 GLU 24 HG1 GLU 24 -5.159 6.856 -5.388 111 H GLU 25 HN GLU 25 -7.428 6.038 -5.282 112 HA GLU 25 HA GLU 25 -6.340 3.752 -3.982 113 HB2 GLU 25 HB2 GLU 25 -8.824 5.285 -3.190 114 HB3 GLU 25 HB1 GLU 25 -7.871 4.228 -2.167 115 HG2 GLU 25 HG2 GLU 25 -6.762 6.731 -3.389 116 HG3 GLU 25 HG1 GLU 25 -7.553 6.682 -1.811 117 H TYR 26 HN TYR 26 -9.398 4.480 -5.532 118 HA TYR 26 HA TYR 26 -10.663 2.019 -4.917 119 HB2 TYR 26 HB2 TYR 26 -11.811 4.163 -5.578 120 HB3 TYR 26 HB1 TYR 26 -11.280 3.850 -7.219 121 HD1 TYR 26 HD2 TYR 26 -13.389 2.560 -4.479 122 HD2 TYR 26 HD1 TYR 26 -12.421 2.308 -8.611 123 HE1 TYR 26 HE2 TYR 26 -15.357 1.160 -4.846 124 HE2 TYR 26 HE1 TYR 26 -14.375 0.899 -8.992 125 HH TYR 26 HH TYR 26 -16.876 0.571 -6.746 126 H ASP 27 HN ASP 27 -8.586 3.095 -7.533 127 HA ASP 27 HA ASP 27 -8.996 0.815 -9.175 128 HB2 ASP 27 HB2 ASP 27 -7.974 2.798 -10.140 129 HB3 ASP 27 HB1 ASP 27 -6.654 2.735 -8.980 130 H GLU 28 HN GLU 28 -6.537 1.656 -6.756 131 HA GLU 28 HA GLU 28 -5.108 -0.729 -6.723 132 HB2 GLU 28 HB2 GLU 28 -4.445 1.283 -5.494 133 HB3 GLU 28 HB1 GLU 28 -5.845 1.119 -4.447 134 HG2 GLU 28 HG2 GLU 28 -3.801 0.379 -3.378 135 HG3 GLU 28 HG1 GLU 28 -4.973 -0.923 -3.530 136 H PHE 29 HN PHE 29 -7.984 0.250 -4.950 137 HA PHE 29 HA PHE 29 -8.512 -2.102 -3.566 138 HB2 PHE 29 HB2 PHE 29 -9.671 -0.014 -3.112 139 HB3 PHE 29 HB1 PHE 29 -10.405 -0.037 -4.710 140 HD1 PHE 29 HD1 PHE 29 -10.132 -2.232 -1.728 141 HD2 PHE 29 HD2 PHE 29 -12.580 -0.710 -4.843 142 HE1 PHE 29 HE1 PHE 29 -12.048 -3.446 -0.793 143 HE2 PHE 29 HE2 PHE 29 -14.511 -1.924 -3.916 144 HZ PHE 29 HZ PHE 29 -14.238 -3.292 -1.885 145 H LYS 30 HN LYS 30 -9.534 -1.126 -6.843 146 HA LYS 30 HA LYS 30 -11.090 -3.402 -7.383 147 HB2 LYS 30 HB2 LYS 30 -9.629 -1.494 -9.202 148 HB3 LYS 30 HB1 LYS 30 -10.582 -2.834 -9.824 149 HG2 LYS 30 HG2 LYS 30 -12.550 -1.936 -8.675 150 HG3 LYS 30 HG1 LYS 30 -11.589 -0.581 -8.111 151 HD2 LYS 30 HD2 LYS 30 -12.006 -1.262 -11.019 152 HD3 LYS 30 HD1 LYS 30 -12.996 -0.104 -10.132 153 HE2 LYS 30 HE2 LYS 30 -10.952 1.192 -9.635 154 HE3 LYS 30 HE1 LYS 30 -10.028 0.066 -10.622 155 HZ1 LYS 30 HZ1 LYS 30 -10.582 2.024 -11.885 156 HZ2 LYS 30 HZ2 LYS 30 -12.229 1.818 -11.565 157 HZ3 LYS 30 HZ3 LYS 30 -11.410 0.692 -12.523 158 H LYS 31 HN LYS 31 -7.697 -2.698 -8.186 159 HA LYS 31 HA LYS 31 -7.118 -5.136 -9.421 160 HB2 LYS 31 HB2 LYS 31 -5.320 -3.266 -7.884 161 HB3 LYS 31 HB1 LYS 31 -4.742 -4.623 -8.843 162 HG2 LYS 31 HG2 LYS 31 -5.736 -3.627 -10.845 163 HG3 LYS 31 HG1 LYS 31 -6.298 -2.262 -9.882 164 HD2 LYS 31 HD2 LYS 31 -3.413 -3.057 -10.279 165 HD3 LYS 31 HD1 LYS 31 -4.238 -1.750 -11.125 166 HE2 LYS 31 HE2 LYS 31 -3.272 -0.539 -9.463 167 HE3 LYS 31 HE1 LYS 31 -4.768 -0.989 -8.650 168 HZ1 LYS 31 HZ1 LYS 31 -2.915 -1.374 -7.191 169 HZ2 LYS 31 HZ2 LYS 31 -2.134 -2.323 -8.355 170 HZ3 LYS 31 HZ3 LYS 31 -3.566 -2.869 -7.648 171 H ARG 32 HN ARG 32 -6.875 -4.148 -6.043 172 HA ARG 32 HA ARG 32 -5.927 -6.567 -4.989 173 HB2 ARG 32 HB2 ARG 32 -7.553 -4.347 -3.830 174 HB3 ARG 32 HB1 ARG 32 -7.076 -5.730 -2.871 175 HG2 ARG 32 HG2 ARG 32 -4.729 -5.200 -3.280 176 HG3 ARG 32 HG1 ARG 32 -5.217 -3.806 -4.249 177 HD2 ARG 32 HD2 ARG 32 -6.399 -2.913 -2.277 178 HD3 ARG 32 HD1 ARG 32 -5.777 -4.259 -1.326 179 HE ARG 32 HE ARG 32 -3.812 -2.581 -2.677 180 HH11 ARG 32 HH11 ARG 32 -5.485 -3.439 0.278 181 HH12 ARG 32 HH12 ARG 32 -4.374 -2.582 1.303 182 HH21 ARG 32 HH21 ARG 32 -2.363 -1.420 -1.297 183 HH22 ARG 32 HH22 ARG 32 -2.625 -1.444 0.422 184 H ARG 33 HN ARG 33 -9.228 -5.318 -5.306 185 HA ARG 33 HA ARG 33 -10.511 -7.516 -4.123 186 HB2 ARG 33 HB2 ARG 33 -11.619 -5.394 -4.282 187 HB3 ARG 33 HB1 ARG 33 -11.539 -5.426 -6.035 188 HG2 ARG 33 HG2 ARG 33 -13.179 -7.060 -6.204 189 HG3 ARG 33 HG1 ARG 33 -12.997 -7.552 -4.521 190 HD2 ARG 33 HD2 ARG 33 -14.071 -5.630 -3.728 191 HD3 ARG 33 HD1 ARG 33 -13.950 -4.806 -5.282 192 HE ARG 33 HE ARG 33 -15.451 -6.946 -5.890 193 HH11 ARG 33 HH11 ARG 33 -15.699 -4.609 -3.296 194 HH12 ARG 33 HH12 ARG 33 -17.428 -4.714 -3.194 195 HH21 ARG 33 HH21 ARG 33 -17.711 -7.098 -5.760 196 HH22 ARG 33 HH22 ARG 33 -18.576 -6.129 -4.610 197 H GLU 34 HN GLU 34 -9.714 -6.820 -7.495 198 HA GLU 34 HA GLU 34 -11.021 -9.017 -8.652 199 HB2 GLU 34 HB2 GLU 34 -10.054 -7.136 -9.936 200 HB3 GLU 34 HB1 GLU 34 -8.441 -7.703 -9.529 201 HG2 GLU 34 HG2 GLU 34 -8.902 -9.803 -10.716 202 HG3 GLU 34 HG1 GLU 34 -10.486 -9.177 -11.170 203 H SER 35 HN SER 35 -7.791 -8.677 -7.255 204 HA SER 35 HA SER 35 -6.864 -11.266 -7.827 205 HB2 SER 35 HB2 SER 35 -5.422 -9.378 -7.089 206 HB3 SER 35 HB1 SER 35 -6.123 -9.500 -5.479 207 HG SER 35 HG SER 35 -4.069 -10.837 -6.471 208 H ARG 36 HN ARG 36 -8.855 -9.997 -5.215 209 HA ARG 36 HA ARG 36 -8.813 -12.516 -3.778 210 HB2 ARG 36 HB2 ARG 36 -10.076 -9.853 -3.288 211 HB3 ARG 36 HB1 ARG 36 -10.669 -11.253 -2.416 212 HG2 ARG 36 HG2 ARG 36 -9.124 -10.642 -0.907 213 HG3 ARG 36 HG1 ARG 36 -8.014 -11.497 -1.983 214 HD2 ARG 36 HD2 ARG 36 -7.638 -9.315 -3.155 215 HD3 ARG 36 HD1 ARG 36 -8.577 -8.546 -1.886 216 HE ARG 36 HE ARG 36 -6.838 -9.500 -0.324 217 HH11 ARG 36 HH11 ARG 36 -6.122 -8.678 -3.652 218 HH12 ARG 36 HH12 ARG 36 -4.441 -8.383 -3.356 219 HH21 ARG 36 HH21 ARG 36 -4.621 -9.092 0.073 220 HH22 ARG 36 HH22 ARG 36 -3.588 -8.617 -1.239 221 H GLY 37 HN GLY 37 -10.128 -11.920 -6.570 222 HA2 GLY 37 HA2 GLY 37 -11.828 -12.915 -7.750 223 HA3 GLY 37 HA1 GLY 37 -12.087 -13.950 -6.356 224 H GLY 38 HN GLY 38 -12.283 -10.474 -6.139 225 HA2 GLY 38 HA2 GLY 38 -14.171 -9.089 -6.113 226 HA3 GLY 38 HA1 GLY 38 -15.187 -10.505 -6.317 227 H LYS 39 HN LYS 39 -13.491 -11.720 -4.050 228 HA LYS 39 HA LYS 39 -15.320 -10.920 -1.966 229 HB2 LYS 39 HB2 LYS 39 -13.097 -12.949 -1.917 230 HB3 LYS 39 HB1 LYS 39 -14.333 -12.736 -0.682 231 HG2 LYS 39 HG2 LYS 39 -15.945 -13.070 -2.740 232 HG3 LYS 39 HG1 LYS 39 -14.541 -13.914 -3.389 233 HD2 LYS 39 HD2 LYS 39 -15.880 -14.471 -0.756 234 HD3 LYS 39 HD1 LYS 39 -16.034 -15.447 -2.218 235 HE2 LYS 39 HE2 LYS 39 -13.586 -15.838 -2.151 236 HE3 LYS 39 HE1 LYS 39 -13.522 -14.967 -0.619 237 HZ1 LYS 39 HZ1 LYS 39 -13.604 -17.300 -0.193 238 HZ2 LYS 39 HZ2 LYS 39 -14.971 -17.495 -1.166 239 HZ3 LYS 39 HZ3 LYS 39 -15.085 -16.631 0.280 240 H TYR 40 HN TYR 40 -14.108 -8.724 -2.353 241 HA TYR 40 HA TYR 40 -12.227 -8.420 -0.136 242 HB2 TYR 40 HB2 TYR 40 -10.989 -8.565 -2.330 243 HB3 TYR 40 HB1 TYR 40 -11.815 -7.090 -2.806 244 HD1 TYR 40 HD2 TYR 40 -10.103 -8.196 0.319 245 HD2 TYR 40 HD1 TYR 40 -10.357 -5.298 -2.775 246 HE1 TYR 40 HE2 TYR 40 -8.357 -6.879 1.424 247 HE2 TYR 40 HE1 TYR 40 -8.595 -3.972 -1.686 248 HH TYR 40 HH TYR 40 -6.689 -5.211 0.863 249 H SER 41 HN SER 41 -13.548 -7.285 1.177 250 HA SER 41 HA SER 41 -15.278 -5.253 0.086 251 HB2 SER 41 HB2 SER 41 -15.130 -5.053 2.884 252 HB3 SER 41 HB1 SER 41 -16.453 -5.671 1.915 253 HG SER 41 HG SER 41 -15.747 -7.705 2.192 254 H ILE 42 HN ILE 42 -15.269 -3.060 1.139 255 HA ILE 42 HA ILE 42 -12.764 -1.903 0.553 256 HB ILE 42 HB ILE 42 -15.074 -0.837 0.371 257 HG12 ILE 42 HG12 ILE 42 -13.732 1.364 1.434 258 HG13 ILE 42 HG11 ILE 42 -12.460 0.245 0.960 259 HG21 ILE 42 HG21 ILE 42 -15.759 0.527 2.286 260 HG22 ILE 42 HG22 ILE 42 -14.461 -0.183 3.247 261 HG23 ILE 42 HG23 ILE 42 -15.788 -1.192 2.674 262 HD11 ILE 42 HD11 ILE 42 -13.052 1.875 -0.768 263 HD12 ILE 42 HD12 ILE 42 -14.664 1.162 -0.850 264 HD13 ILE 42 HD13 ILE 42 -13.243 0.199 -1.278 265 H ASP 43 HN ASP 43 -14.306 -2.845 3.575 266 HA ASP 43 HA ASP 43 -12.672 -1.321 5.281 267 HB2 ASP 43 HB2 ASP 43 -14.208 -3.860 5.739 268 HB3 ASP 43 HB1 ASP 43 -13.304 -3.072 7.022 269 H ASP 44 HN ASP 44 -12.257 -4.513 3.865 270 HA ASP 44 HA ASP 44 -9.909 -5.210 5.282 271 HB2 ASP 44 HB2 ASP 44 -11.430 -6.658 3.689 272 HB3 ASP 44 HB1 ASP 44 -10.343 -6.083 2.438 273 H TYR 45 HN TYR 45 -10.553 -3.356 2.382 274 HA TYR 45 HA TYR 45 -7.827 -2.853 1.725 275 HB2 TYR 45 HB2 TYR 45 -9.520 -2.579 0.007 276 HB3 TYR 45 HB1 TYR 45 -10.367 -1.359 0.964 277 HD1 TYR 45 HD2 TYR 45 -7.158 -2.061 -0.763 278 HD2 TYR 45 HD1 TYR 45 -9.779 0.919 0.764 279 HE1 TYR 45 HE2 TYR 45 -5.766 -0.326 -1.803 280 HE2 TYR 45 HE1 TYR 45 -8.374 2.678 -0.269 281 HH TYR 45 HH TYR 45 -6.116 3.006 -1.060 282 H LEU 46 HN LEU 46 -10.325 -1.058 3.429 283 HA LEU 46 HA LEU 46 -8.924 1.316 3.826 284 HB2 LEU 46 HB2 LEU 46 -11.167 0.076 5.410 285 HB3 LEU 46 HB1 LEU 46 -10.612 1.721 5.620 286 HG LEU 46 HG LEU 46 -11.823 0.600 3.094 287 HD11 LEU 46 HD11 LEU 46 -13.700 2.056 3.614 288 HD12 LEU 46 HD12 LEU 46 -12.921 2.542 5.119 289 HD13 LEU 46 HD13 LEU 46 -13.445 0.875 4.898 290 HD21 LEU 46 HD21 LEU 46 -10.885 3.373 3.792 291 HD22 LEU 46 HD22 LEU 46 -11.821 2.948 2.360 292 HD23 LEU 46 HD23 LEU 46 -10.195 2.299 2.577 293 H ALA 47 HN ALA 47 -9.049 -1.616 5.792 294 HA ALA 47 HA ALA 47 -7.652 -0.597 8.022 295 HB1 ALA 47 HB1 ALA 47 -7.664 -3.435 6.999 296 HB2 ALA 47 HB2 ALA 47 -8.918 -2.721 8.012 297 HB3 ALA 47 HB3 ALA 47 -7.279 -2.903 8.635 298 H ASP 48 HN ASP 48 -6.515 -2.247 5.090 299 HA ASP 48 HA ASP 48 -3.751 -2.034 5.768 300 HB2 ASP 48 HB2 ASP 48 -4.600 -3.689 4.136 301 HB3 ASP 48 HB1 ASP 48 -5.048 -2.377 3.053 302 H ARG 49 HN ARG 49 -6.041 -0.088 3.962 303 HA ARG 49 HA ARG 49 -4.353 1.889 2.948 304 HB2 ARG 49 HB2 ARG 49 -6.767 1.600 2.406 305 HB3 ARG 49 HB1 ARG 49 -7.155 2.276 3.981 306 HG2 ARG 49 HG2 ARG 49 -6.101 4.358 3.384 307 HG3 ARG 49 HG1 ARG 49 -5.606 3.690 1.829 308 HD2 ARG 49 HD2 ARG 49 -8.038 3.306 1.378 309 HD3 ARG 49 HD1 ARG 49 -8.392 4.298 2.788 310 HE ARG 49 HE ARG 49 -6.848 5.275 0.453 311 HH11 ARG 49 HH11 ARG 49 -9.247 5.768 2.965 312 HH12 ARG 49 HH12 ARG 49 -9.578 7.406 2.507 313 HH21 ARG 49 HH21 ARG 49 -7.285 7.436 -0.148 314 HH22 ARG 49 HH22 ARG 49 -8.475 8.353 0.719 315 H GLU 50 HN GLU 50 -5.765 1.444 6.129 316 HA GLU 50 HA GLU 50 -5.003 3.891 7.290 317 HB2 GLU 50 HB2 GLU 50 -5.454 1.152 8.483 318 HB3 GLU 50 HB1 GLU 50 -5.121 2.582 9.454 319 HG2 GLU 50 HG2 GLU 50 -7.423 2.360 7.541 320 HG3 GLU 50 HG1 GLU 50 -7.528 1.959 9.252 321 H ARG 51 HN ARG 51 -3.346 0.812 6.922 322 HA ARG 51 HA ARG 51 -1.066 1.477 8.458 323 HB2 ARG 51 HB2 ARG 51 -1.348 -0.539 6.251 324 HB3 ARG 51 HB1 ARG 51 -0.025 -0.456 7.414 325 HG2 ARG 51 HG2 ARG 51 -2.055 -0.529 9.118 326 HG3 ARG 51 HG1 ARG 51 -2.801 -1.362 7.759 327 HD2 ARG 51 HD2 ARG 51 -0.905 -2.906 7.690 328 HD3 ARG 51 HD1 ARG 51 -0.206 -2.067 9.073 329 HE ARG 51 HE ARG 51 -2.425 -2.751 10.193 330 HH11 ARG 51 HH11 ARG 51 -0.680 -4.670 7.844 331 HH12 ARG 51 HH12 ARG 51 -1.264 -6.183 8.458 332 HH21 ARG 51 HH21 ARG 51 -3.192 -4.743 11.011 333 HH22 ARG 51 HH22 ARG 51 -2.678 -6.226 10.268 334 H GLU 52 HN GLU 52 -1.997 1.942 5.155 335 HA GLU 52 HA GLU 52 0.487 2.332 3.974 336 HB2 GLU 52 HB2 GLU 52 -2.162 3.534 3.206 337 HB3 GLU 52 HB1 GLU 52 -0.722 3.534 2.196 338 HG2 GLU 52 HG2 GLU 52 -0.748 1.039 2.323 339 HG3 GLU 52 HG1 GLU 52 -2.312 1.164 3.116 340 H GLU 53 HN GLU 53 -1.467 4.574 5.839 341 HA GLU 53 HA GLU 53 -0.380 6.964 4.902 342 HB2 GLU 53 HB2 GLU 53 -1.360 6.350 7.696 343 HB3 GLU 53 HB1 GLU 53 -1.092 7.961 7.046 344 HG2 GLU 53 HG2 GLU 53 -2.793 7.448 5.291 345 HG3 GLU 53 HG1 GLU 53 -3.136 5.947 6.150 346 H GLU 54 HN GLU 54 0.763 4.858 7.525 347 HA GLU 54 HA GLU 54 2.985 6.606 8.085 348 HB2 GLU 54 HB2 GLU 54 3.658 4.954 9.743 349 HB3 GLU 54 HB1 GLU 54 1.950 5.334 9.905 350 HG2 GLU 54 HG2 GLU 54 1.369 3.267 8.763 351 HG3 GLU 54 HG1 GLU 54 3.079 2.892 8.556 352 H LEU 55 HN LEU 55 2.338 4.120 5.901 353 HA LEU 55 HA LEU 55 5.090 3.296 5.540 354 HB2 LEU 55 HB2 LEU 55 2.714 2.754 3.753 355 HB3 LEU 55 HB1 LEU 55 4.249 1.909 3.741 356 HG LEU 55 HG LEU 55 2.243 1.842 5.998 357 HD11 LEU 55 HD11 LEU 55 1.524 0.680 3.916 358 HD12 LEU 55 HD12 LEU 55 1.719 -0.383 5.308 359 HD13 LEU 55 HD13 LEU 55 2.956 -0.340 4.049 360 HD21 LEU 55 HD21 LEU 55 4.805 0.307 5.593 361 HD22 LEU 55 HD22 LEU 55 3.640 0.045 6.891 362 HD23 LEU 55 HD23 LEU 55 4.523 1.568 6.794 363 H LEU 56 HN LEU 56 2.795 5.511 4.133 364 HA LEU 56 HA LEU 56 4.271 6.120 1.775 365 HB2 LEU 56 HB2 LEU 56 2.178 7.760 3.207 366 HB3 LEU 56 HB1 LEU 56 2.751 8.038 1.576 367 HG LEU 56 HG LEU 56 1.197 5.627 2.524 368 HD11 LEU 56 HD11 LEU 56 -0.573 6.511 1.091 369 HD12 LEU 56 HD12 LEU 56 0.414 7.933 0.752 370 HD13 LEU 56 HD13 LEU 56 -0.162 7.628 2.391 371 HD21 LEU 56 HD21 LEU 56 1.113 5.020 0.146 372 HD22 LEU 56 HD22 LEU 56 2.761 5.010 0.768 373 HD23 LEU 56 HD23 LEU 56 2.202 6.354 -0.228 374 H GLU 57 HN GLU 57 3.752 7.941 4.795 375 HA GLU 57 HA GLU 57 6.002 9.663 4.080 376 HB2 GLU 57 HB2 GLU 57 3.978 9.911 6.306 377 HB3 GLU 57 HB1 GLU 57 5.232 11.087 5.934 378 HG2 GLU 57 HG2 GLU 57 4.198 11.248 3.628 379 HG3 GLU 57 HG1 GLU 57 2.840 10.338 4.285 380 H ARG 58 HN ARG 58 7.325 10.386 6.127 381 HA ARG 58 HA ARG 58 7.865 8.309 8.017 382 HB2 ARG 58 HB2 ARG 58 10.082 7.712 7.218 383 HB3 ARG 58 HB1 ARG 58 8.874 7.325 6.004 384 HG2 ARG 58 HG2 ARG 58 9.450 9.332 4.762 385 HG3 ARG 58 HG1 ARG 58 10.631 9.767 5.998 386 HD2 ARG 58 HD2 ARG 58 11.861 7.690 5.528 387 HD3 ARG 58 HD1 ARG 58 10.700 7.310 4.257 388 HE ARG 58 HE ARG 58 11.729 9.851 3.748 389 HH11 ARG 58 HH11 ARG 58 12.858 6.539 3.859 390 HH12 ARG 58 HH12 ARG 58 14.100 6.796 2.675 391 HH21 ARG 58 HH21 ARG 58 13.353 10.185 2.195 392 HH22 ARG 58 HH22 ARG 58 14.380 8.869 1.730 393 H ASP 59 HN ASP 59 10.287 8.764 8.850 394 HA ASP 59 HA ASP 59 11.890 10.129 9.635 395 HB2 ASP 59 HB2 ASP 59 11.667 11.000 7.257 396 HB3 ASP 59 HB1 ASP 59 10.763 12.340 7.938 397 H GLU 60 HN GLU 60 9.719 12.886 9.228 398 HA GLU 60 HA GLU 60 10.080 13.375 12.073 399 HB2 GLU 60 HB2 GLU 60 8.970 15.129 9.881 400 HB3 GLU 60 HB1 GLU 60 9.188 15.630 11.553 401 HG2 GLU 60 HG2 GLU 60 11.574 15.343 11.369 402 HG3 GLU 60 HG1 GLU 60 11.401 14.713 9.732 403 H GLU 61 HN GLU 61 7.761 11.981 10.121 404 HA GLU 61 HA GLU 61 5.370 13.047 11.036 405 HB2 GLU 61 HB2 GLU 61 6.018 10.273 10.050 406 HB3 GLU 61 HB1 GLU 61 4.377 10.812 10.412 407 HG2 GLU 61 HG2 GLU 61 6.249 11.830 8.305 408 HG3 GLU 61 HG1 GLU 61 4.668 11.078 8.096 409 H GLU 62 HN GLU 62 6.554 9.853 12.112 410 HA GLU 62 HA GLU 62 6.339 10.394 14.865 411 HB2 GLU 62 HB2 GLU 62 3.943 10.541 14.389 412 HB3 GLU 62 HB1 GLU 62 3.978 8.945 13.654 413 HG2 GLU 62 HG2 GLU 62 4.529 7.942 15.788 414 HG3 GLU 62 HG1 GLU 62 4.595 9.536 16.541 415 H ALA 63 HN ALA 63 8.245 9.247 14.936 416 HA ALA 63 HA ALA 63 9.529 7.444 15.420 417 HB1 ALA 63 HB1 ALA 63 7.726 7.030 17.019 418 HB2 ALA 63 HB2 ALA 63 8.438 5.527 16.433 419 HB3 ALA 63 HB3 ALA 63 6.879 6.066 15.810 420 H ILE 64 HN ILE 64 9.544 7.754 12.778 421 HA ILE 64 HA ILE 64 9.146 5.049 11.698 422 HB ILE 64 HB ILE 64 9.611 7.625 10.188 423 HG12 ILE 64 HG12 ILE 64 7.177 6.795 9.403 424 HG13 ILE 64 HG11 ILE 64 7.176 6.193 11.058 425 HG21 ILE 64 HG21 ILE 64 8.988 4.858 9.193 426 HG22 ILE 64 HG22 ILE 64 10.481 5.763 8.943 427 HG23 ILE 64 HG23 ILE 64 8.975 6.318 8.206 428 HD11 ILE 64 HD11 ILE 64 6.190 8.389 10.935 429 HD12 ILE 64 HD12 ILE 64 7.667 9.027 10.208 430 HD13 ILE 64 HD13 ILE 64 7.688 8.429 11.867 431 H PHE 65 HN PHE 65 11.449 7.579 12.263 432 HA PHE 65 HA PHE 65 13.673 6.197 11.067 433 HB2 PHE 65 HB2 PHE 65 15.015 8.053 11.983 434 HB3 PHE 65 HB1 PHE 65 13.612 8.653 11.103 435 HD1 PHE 65 HD2 PHE 65 11.562 9.313 12.464 436 HD2 PHE 65 HD1 PHE 65 15.400 8.712 14.187 437 HE1 PHE 65 HE2 PHE 65 10.873 10.618 14.423 438 HE2 PHE 65 HE1 PHE 65 14.722 10.016 16.159 439 HZ PHE 65 HZ PHE 65 12.455 10.975 16.281 440 H GLY 66 HN GLY 66 12.010 6.087 14.000 441 HA2 GLY 66 HA2 GLY 66 13.892 4.224 15.134 442 HA3 GLY 66 HA1 GLY 66 13.760 5.738 16.024 443 H ASP 67 HN ASP 67 12.931 4.529 17.812 444 HA ASP 67 HA ASP 67 10.369 3.195 17.448 445 HB2 ASP 67 HB2 ASP 67 10.604 2.430 19.713 446 HB3 ASP 67 HB1 ASP 67 12.158 2.220 18.913 447 H GLY 68 HN GLY 68 11.573 6.251 18.316 448 HA2 GLY 68 HA2 GLY 68 8.909 7.017 19.315 449 HA3 GLY 68 HA1 GLY 68 10.367 7.549 20.141 450 H PHE 69 HN PHE 69 9.135 9.624 19.616 451 HA PHE 69 HA PHE 69 10.306 10.725 17.177 452 HB2 PHE 69 HB2 PHE 69 8.183 12.017 16.780 453 HB3 PHE 69 HB1 PHE 69 8.051 10.288 16.487 454 HD1 PHE 69 HD1 PHE 69 6.761 8.867 17.984 455 HD2 PHE 69 HD2 PHE 69 6.993 13.074 18.589 456 HE1 PHE 69 HE1 PHE 69 4.843 8.748 19.516 457 HE2 PHE 69 HE2 PHE 69 5.072 12.959 20.124 458 HZ PHE 69 HZ PHE 69 3.997 10.795 20.589 459 H GLY 70 HN GLY 70 9.767 13.266 17.271 460 HA2 GLY 70 HA2 GLY 70 9.718 15.201 18.658 461 HA3 GLY 70 HA1 GLY 70 10.154 14.191 20.029 462 H LEU 71 HN LEU 71 12.208 12.858 18.254 463 HA LEU 71 HA LEU 71 14.440 14.463 18.917 464 HB2 LEU 71 HB2 LEU 71 14.186 12.134 17.010 465 HB3 LEU 71 HB1 LEU 71 15.711 12.875 17.444 466 HG LEU 71 HG LEU 71 15.588 10.941 18.757 467 HD11 LEU 71 HD11 LEU 71 16.264 12.902 20.034 468 HD12 LEU 71 HD12 LEU 71 15.432 11.725 21.049 469 HD13 LEU 71 HD13 LEU 71 14.588 13.176 20.510 470 HD21 LEU 71 HD21 LEU 71 13.243 10.400 18.386 471 HD22 LEU 71 HD22 LEU 71 12.761 11.684 19.497 472 HD23 LEU 71 HD23 LEU 71 13.657 10.288 20.096 473 H LYS 72 HN LYS 72 12.463 14.114 16.074 474 HA LYS 72 HA LYS 72 13.658 16.562 15.039 475 HB2 LYS 72 HB2 LYS 72 13.476 15.664 12.712 476 HB3 LYS 72 HB1 LYS 72 14.712 14.893 13.691 477 HG2 LYS 72 HG2 LYS 72 13.362 12.945 13.989 478 HG3 LYS 72 HG1 LYS 72 11.973 13.732 13.237 479 HD2 LYS 72 HD2 LYS 72 12.985 12.244 11.639 480 HD3 LYS 72 HD1 LYS 72 13.273 13.908 11.132 481 HE2 LYS 72 HE2 LYS 72 15.519 13.724 12.288 482 HE3 LYS 72 HE1 LYS 72 15.207 11.993 12.413 483 HZ1 LYS 72 HZ1 LYS 72 15.522 13.611 9.956 484 HZ2 LYS 72 HZ2 LYS 72 14.879 12.048 9.930 485 HZ3 LYS 72 HZ3 LYS 72 16.465 12.305 10.470 486 H ALA 73 HN ALA 73 12.070 17.960 15.177 487 HA ALA 73 HA ALA 73 9.631 17.557 13.722 488 HB1 ALA 73 HB1 ALA 73 9.445 17.891 16.716 489 HB2 ALA 73 HB2 ALA 73 9.062 16.421 15.823 490 HB3 ALA 73 HB3 ALA 73 8.095 17.876 15.584 491 H THR 74 HN THR 74 11.203 19.522 16.239 492 HA THR 74 HA THR 74 10.052 21.944 15.138 493 HB THR 74 HB THR 74 12.138 21.733 17.315 494 HG1 THR 74 HG1 THR 74 9.455 21.049 17.309 495 HG21 THR 74 HG21 THR 74 11.176 23.857 18.066 496 HG22 THR 74 HG22 THR 74 10.040 23.825 16.717 497 HG23 THR 74 HG23 THR 74 11.770 23.982 16.410 498 H ARG 75 HN ARG 75 12.954 20.108 14.905 499 HA ARG 75 HA ARG 75 14.795 20.260 13.597 500 HB2 ARG 75 HB2 ARG 75 13.258 22.483 12.251 501 HB3 ARG 75 HB1 ARG 75 14.785 21.842 11.665 502 HG2 ARG 75 HG2 ARG 75 13.724 19.631 11.417 503 HG3 ARG 75 HG1 ARG 75 12.188 20.340 11.921 504 HD2 ARG 75 HD2 ARG 75 12.311 21.900 10.025 505 HD3 ARG 75 HD1 ARG 75 13.818 21.142 9.513 506 HE ARG 75 HE ARG 75 11.978 19.094 9.671 507 HH11 ARG 75 HH11 ARG 75 12.266 22.106 7.908 508 HH12 ARG 75 HH12 ARG 75 11.340 21.553 6.552 509 HH21 ARG 75 HH21 ARG 75 10.773 18.348 7.877 510 HH22 ARG 75 HH22 ARG 75 10.498 19.414 6.526 511 H ARG 76 HN ARG 76 14.158 22.206 15.952 512 HA ARG 76 HA ARG 76 15.142 23.899 17.099 513 HB2 ARG 76 HB2 ARG 76 17.519 22.992 15.475 514 HB3 ARG 76 HB1 ARG 76 17.616 24.143 16.800 515 HG2 ARG 76 HG2 ARG 76 16.457 21.401 17.150 516 HG3 ARG 76 HG1 ARG 76 18.182 21.722 17.311 517 HD2 ARG 76 HD2 ARG 76 17.036 21.741 19.481 518 HD3 ARG 76 HD1 ARG 76 17.753 23.298 19.093 519 HE ARG 76 HE ARG 76 15.616 24.207 18.828 520 HH11 ARG 76 HH11 ARG 76 15.458 20.805 19.651 521 HH12 ARG 76 HH12 ARG 76 13.821 20.897 20.225 522 HH21 ARG 76 HH21 ARG 76 13.463 24.321 19.580 523 HH22 ARG 76 HH22 ARG 76 12.692 22.886 20.179 524 H SER 77 HN SER 77 13.622 24.714 14.973 525 HA SER 77 HA SER 77 14.922 26.478 13.192 526 HB2 SER 77 HB2 SER 77 12.533 27.392 12.934 527 HB3 SER 77 HB1 SER 77 12.799 25.696 12.527 528 HG SER 77 HG SER 77 11.743 26.717 14.966 529 H ARG 78 HN ARG 78 16.299 27.740 14.450 530 HA ARG 78 HA ARG 78 15.001 29.696 16.215 531 HB2 ARG 78 HB2 ARG 78 17.326 30.078 17.091 532 HB3 ARG 78 HB1 ARG 78 16.676 28.476 17.404 533 HG2 ARG 78 HG2 ARG 78 17.954 27.624 15.465 534 HG3 ARG 78 HG1 ARG 78 18.669 29.226 15.276 535 HD2 ARG 78 HD2 ARG 78 20.160 27.737 16.497 536 HD3 ARG 78 HD1 ARG 78 19.619 29.070 17.516 537 HE ARG 78 HE ARG 78 17.843 27.109 18.081 538 HH11 ARG 78 HH11 ARG 78 21.336 27.195 18.002 539 HH12 ARG 78 HH12 ARG 78 21.522 26.048 19.290 540 HH21 ARG 78 HH21 ARG 78 18.074 25.592 19.768 541 HH22 ARG 78 HH22 ARG 78 19.661 25.126 20.294 542 H LYS 79 HN LYS 79 14.822 31.706 15.533 543 HA LYS 79 HA LYS 79 14.931 33.544 14.201 544 HB2 LYS 79 HB2 LYS 79 17.781 32.611 13.790 545 HB3 LYS 79 HB1 LYS 79 17.159 34.176 13.288 546 HG2 LYS 79 HG2 LYS 79 17.148 33.222 16.137 547 HG3 LYS 79 HG1 LYS 79 18.453 34.168 15.426 548 HD2 LYS 79 HD2 LYS 79 16.835 35.948 14.886 549 HD3 LYS 79 HD1 LYS 79 15.566 35.004 15.667 550 HE2 LYS 79 HE2 LYS 79 16.448 36.749 17.144 551 HE3 LYS 79 HE1 LYS 79 16.738 35.134 17.787 552 HZ1 LYS 79 HZ1 LYS 79 18.744 36.750 16.307 553 HZ2 LYS 79 HZ2 LYS 79 19.008 35.250 17.041 554 HZ3 LYS 79 HZ3 LYS 79 18.673 36.607 17.989 555 H ALA 80 HN ALA 80 13.867 31.194 13.141 556 HA ALA 80 HA ALA 80 14.506 31.477 10.288 557 HB1 ALA 80 HB1 ALA 80 15.681 29.496 11.091 558 HB2 ALA 80 HB2 ALA 80 14.373 29.045 10.000 559 HB3 ALA 80 HB3 ALA 80 14.174 28.852 11.741 560 H GLU 81 HN GLU 81 12.539 32.826 10.476 561 HA GLU 81 HA GLU 81 10.054 31.485 11.056 562 HB2 GLU 81 HB2 GLU 81 10.537 34.228 9.889 563 HB3 GLU 81 HB1 GLU 81 9.005 33.623 10.504 564 HG2 GLU 81 HG2 GLU 81 10.090 33.365 12.734 565 HG3 GLU 81 HG1 GLU 81 11.508 34.177 12.072 566 H ARG 82 HN ARG 82 10.693 29.839 9.334 567 HA ARG 82 HA ARG 82 9.340 30.611 6.843 568 HB2 ARG 82 HB2 ARG 82 11.874 28.983 7.065 569 HB3 ARG 82 HB1 ARG 82 10.909 29.106 5.601 570 HG2 ARG 82 HG2 ARG 82 11.303 31.522 5.557 571 HG3 ARG 82 HG1 ARG 82 12.300 31.374 7.007 572 HD2 ARG 82 HD2 ARG 82 13.837 29.911 5.811 573 HD3 ARG 82 HD1 ARG 82 12.830 30.012 4.369 574 HE ARG 82 HE ARG 82 13.351 32.555 4.671 575 HH11 ARG 82 HH11 ARG 82 15.538 29.857 5.143 576 HH12 ARG 82 HH12 ARG 82 16.951 30.767 4.715 577 HH21 ARG 82 HH21 ARG 82 15.221 33.748 4.105 578 HH22 ARG 82 HH22 ARG 82 16.772 32.972 4.126 579 H ALA 83 HN ALA 83 7.656 29.345 6.456 580 HA ALA 83 HA ALA 83 7.493 26.759 7.833 581 HB1 ALA 83 HB1 ALA 83 5.645 28.327 8.196 582 HB2 ALA 83 HB2 ALA 83 5.101 26.860 7.384 583 HB3 ALA 83 HB3 ALA 83 5.322 28.346 6.461 584 H LYS 84 HN LYS 84 7.948 28.178 4.764 585 HA LYS 84 HA LYS 84 7.040 25.923 3.225 586 HB2 LYS 84 HB2 LYS 84 6.964 28.181 2.283 587 HB3 LYS 84 HB1 LYS 84 8.706 28.325 2.444 588 HG2 LYS 84 HG2 LYS 84 8.069 27.859 0.146 589 HG3 LYS 84 HG1 LYS 84 9.021 26.536 0.821 590 HD2 LYS 84 HD2 LYS 84 7.193 25.605 -0.427 591 HD3 LYS 84 HD1 LYS 84 6.903 25.329 1.292 592 HE2 LYS 84 HE2 LYS 84 4.856 26.034 0.183 593 HE3 LYS 84 HE1 LYS 84 5.385 27.254 1.337 594 HZ1 LYS 84 HZ1 LYS 84 5.858 27.361 -1.592 595 HZ2 LYS 84 HZ2 LYS 84 6.285 28.552 -0.472 596 HZ3 LYS 84 HZ3 LYS 84 4.656 28.218 -0.770 597 H LEU 85 HN LEU 85 10.103 27.164 4.407 598 HA LEU 85 HA LEU 85 11.293 24.560 3.955 599 HB2 LEU 85 HB2 LEU 85 13.335 25.484 2.966 600 HB3 LEU 85 HB1 LEU 85 11.935 25.727 1.948 601 HG LEU 85 HG LEU 85 13.041 27.907 3.717 602 HD11 LEU 85 HD11 LEU 85 13.691 27.325 0.831 603 HD12 LEU 85 HD12 LEU 85 14.795 27.164 2.196 604 HD13 LEU 85 HD13 LEU 85 14.187 28.754 1.736 605 HD21 LEU 85 HD21 LEU 85 10.763 28.260 2.938 606 HD22 LEU 85 HD22 LEU 85 11.265 27.953 1.276 607 HD23 LEU 85 HD23 LEU 85 11.869 29.371 2.133 Start of MODEL 13 1 H1 GLY 11 HT1 GLY 11 -28.046 -9.474 -2.872 2 H2 GLY 11 HT2 GLY 11 -28.506 -7.847 -2.799 3 H3 GLY 11 HT3 GLY 11 -29.259 -8.984 -1.804 4 HA2 GLY 11 HA1 GLY 11 -27.190 -9.378 -0.628 5 HA3 GLY 11 HA2 GLY 11 -26.410 -8.185 -1.659 6 H ARG 12 HN ARG 12 -25.957 -7.330 0.599 7 HA ARG 12 HA ARG 12 -28.203 -5.890 1.761 8 HB2 ARG 12 HB2 ARG 12 -25.316 -6.100 2.615 9 HB3 ARG 12 HB1 ARG 12 -26.542 -5.190 3.482 10 HG2 ARG 12 HG2 ARG 12 -27.805 -7.290 3.811 11 HG3 ARG 12 HG1 ARG 12 -26.477 -8.167 3.046 12 HD2 ARG 12 HD2 ARG 12 -26.300 -8.241 5.481 13 HD3 ARG 12 HD1 ARG 12 -24.949 -7.360 4.769 14 HE ARG 12 HE ARG 12 -27.248 -5.834 5.738 15 HH11 ARG 12 HH11 ARG 12 -23.901 -6.792 6.142 16 HH12 ARG 12 HH12 ARG 12 -23.564 -5.557 7.312 17 HH21 ARG 12 HH21 ARG 12 -26.793 -4.207 7.270 18 HH22 ARG 12 HH22 ARG 12 -25.203 -4.096 7.957 19 HA PRO 13 HA PRO 13 -27.341 -1.955 -0.164 20 HB2 PRO 13 HB2 PRO 13 -27.855 -0.838 2.545 21 HB3 PRO 13 HB1 PRO 13 -28.611 -0.429 1.004 22 HG2 PRO 13 HG2 PRO 13 -29.928 -1.859 2.816 23 HG3 PRO 13 HG1 PRO 13 -30.068 -2.232 1.088 24 HD2 PRO 13 HD2 PRO 13 -28.487 -3.629 3.208 25 HD3 PRO 13 HD1 PRO 13 -29.404 -4.312 1.849 26 H GLY 14 HN GLY 14 -26.388 -1.764 3.250 27 HA2 GLY 14 HA2 GLY 14 -24.346 -1.412 4.234 28 HA3 GLY 14 HA1 GLY 14 -23.592 -1.778 2.691 29 H VAL 15 HN VAL 15 -24.354 0.656 4.911 30 HA VAL 15 HA VAL 15 -23.888 2.809 3.021 31 HB VAL 15 HB VAL 15 -24.075 4.322 4.846 32 HG11 VAL 15 HG11 VAL 15 -26.222 3.709 5.863 33 HG12 VAL 15 HG12 VAL 15 -26.012 2.055 5.287 34 HG13 VAL 15 HG13 VAL 15 -26.190 3.375 4.131 35 HG21 VAL 15 HG21 VAL 15 -24.132 3.622 7.191 36 HG22 VAL 15 HG22 VAL 15 -22.609 3.177 6.415 37 HG23 VAL 15 HG23 VAL 15 -23.848 1.952 6.697 38 H PHE 16 HN PHE 16 -22.061 4.395 3.711 39 HA PHE 16 HA PHE 16 -19.827 4.765 3.707 40 HB2 PHE 16 HB2 PHE 16 -20.117 4.227 6.107 41 HB3 PHE 16 HB1 PHE 16 -19.802 2.534 5.754 42 HD1 PHE 16 HD1 PHE 16 -18.162 5.793 4.946 43 HD2 PHE 16 HD2 PHE 16 -17.740 1.828 6.422 44 HE1 PHE 16 HE1 PHE 16 -15.757 6.178 5.286 45 HE2 PHE 16 HE2 PHE 16 -15.338 2.203 6.762 46 HZ PHE 16 HZ PHE 16 -14.340 4.382 6.196 47 H ARG 17 HN ARG 17 -20.550 3.442 1.559 48 HA ARG 17 HA ARG 17 -19.345 0.900 1.183 49 HB2 ARG 17 HB2 ARG 17 -20.231 2.974 -0.831 50 HB3 ARG 17 HB1 ARG 17 -19.706 1.352 -1.247 51 HG2 ARG 17 HG2 ARG 17 -22.066 2.011 0.498 52 HG3 ARG 17 HG1 ARG 17 -22.148 1.591 -1.214 53 HD2 ARG 17 HD2 ARG 17 -21.089 -0.173 0.995 54 HD3 ARG 17 HD1 ARG 17 -22.660 -0.332 0.211 55 HE ARG 17 HE ARG 17 -20.270 -0.498 -1.462 56 HH11 ARG 17 HH11 ARG 17 -22.980 -2.098 0.078 57 HH12 ARG 17 HH12 ARG 17 -22.786 -3.565 -0.826 58 HH21 ARG 17 HH21 ARG 17 -20.019 -2.427 -2.657 59 HH22 ARG 17 HH22 ARG 17 -21.104 -3.751 -2.384 60 H THR 18 HN THR 18 -18.258 4.176 0.874 61 HA THR 18 HA THR 18 -15.543 3.205 0.446 62 HB THR 18 HB THR 18 -15.263 5.267 -1.131 63 HG1 THR 18 HG1 THR 18 -18.002 5.026 -0.891 64 HG21 THR 18 HG21 THR 18 -15.725 3.862 -3.091 65 HG22 THR 18 HG22 THR 18 -16.602 2.726 -2.064 66 HG23 THR 18 HG23 THR 18 -14.871 2.969 -1.833 67 H ARG 19 HN ARG 19 -13.935 4.608 1.198 68 HA ARG 19 HA ARG 19 -14.889 6.597 3.121 69 HB2 ARG 19 HB2 ARG 19 -13.366 4.764 3.876 70 HB3 ARG 19 HB1 ARG 19 -12.127 5.403 2.807 71 HG2 ARG 19 HG2 ARG 19 -12.162 7.514 4.074 72 HG3 ARG 19 HG1 ARG 19 -13.340 6.801 5.178 73 HD2 ARG 19 HD2 ARG 19 -11.754 5.102 5.831 74 HD3 ARG 19 HD1 ARG 19 -10.584 5.689 4.644 75 HE ARG 19 HE ARG 19 -11.217 7.828 6.302 76 HH11 ARG 19 HH11 ARG 19 -9.803 4.660 6.670 77 HH12 ARG 19 HH12 ARG 19 -8.693 5.149 7.913 78 HH21 ARG 19 HH21 ARG 19 -9.828 8.481 7.973 79 HH22 ARG 19 HH22 ARG 19 -8.733 7.331 8.674 80 H GLY 20 HN GLY 20 -15.269 7.638 0.760 81 HA2 GLY 20 HA2 GLY 20 -14.715 9.290 -0.735 82 HA3 GLY 20 HA1 GLY 20 -13.589 9.869 0.487 83 H LEU 21 HN LEU 21 -13.716 6.870 -1.360 84 HA LEU 21 HA LEU 21 -10.876 6.951 -1.727 85 HB2 LEU 21 HB2 LEU 21 -12.887 4.966 -1.772 86 HB3 LEU 21 HB1 LEU 21 -12.141 4.972 -3.361 87 HG LEU 21 HG LEU 21 -9.924 4.804 -2.204 88 HD11 LEU 21 HD11 LEU 21 -11.669 4.290 0.169 89 HD12 LEU 21 HD12 LEU 21 -10.459 5.562 -0.035 90 HD13 LEU 21 HD13 LEU 21 -9.957 3.880 0.076 91 HD21 LEU 21 HD21 LEU 21 -11.044 2.925 -3.297 92 HD22 LEU 21 HD22 LEU 21 -11.818 2.524 -1.767 93 HD23 LEU 21 HD23 LEU 21 -10.066 2.428 -1.916 94 H THR 22 HN THR 22 -9.894 7.979 -3.280 95 HA THR 22 HA THR 22 -11.316 9.006 -5.541 96 HB THR 22 HB THR 22 -9.054 9.766 -6.293 97 HG1 THR 22 HG1 THR 22 -8.251 8.615 -3.792 98 HG21 THR 22 HG21 THR 22 -10.429 11.247 -4.973 99 HG22 THR 22 HG22 THR 22 -8.764 11.382 -4.406 100 HG23 THR 22 HG23 THR 22 -9.940 10.443 -3.481 101 H ASP 23 HN ASP 23 -10.082 8.692 -7.775 102 HA ASP 23 HA ASP 23 -10.742 6.096 -8.554 103 HB2 ASP 23 HB2 ASP 23 -9.145 8.247 -9.924 104 HB3 ASP 23 HB1 ASP 23 -9.455 6.695 -10.678 105 H GLU 24 HN GLU 24 -7.620 7.483 -7.680 106 HA GLU 24 HA GLU 24 -6.045 5.302 -8.553 107 HB2 GLU 24 HB2 GLU 24 -5.489 7.299 -6.348 108 HB3 GLU 24 HB1 GLU 24 -4.301 6.221 -7.060 109 HG2 GLU 24 HG2 GLU 24 -4.628 7.329 -9.230 110 HG3 GLU 24 HG1 GLU 24 -5.767 8.441 -8.467 111 H GLU 25 HN GLU 25 -7.223 6.154 -5.294 112 HA GLU 25 HA GLU 25 -6.291 3.856 -3.984 113 HB2 GLU 25 HB2 GLU 25 -8.799 5.418 -3.341 114 HB3 GLU 25 HB1 GLU 25 -7.923 4.360 -2.252 115 HG2 GLU 25 HG2 GLU 25 -6.169 5.845 -2.011 116 HG3 GLU 25 HG1 GLU 25 -6.610 6.763 -3.454 117 H TYR 26 HN TYR 26 -9.387 4.569 -5.532 118 HA TYR 26 HA TYR 26 -10.613 2.117 -4.881 119 HB2 TYR 26 HB2 TYR 26 -11.788 4.217 -5.607 120 HB3 TYR 26 HB1 TYR 26 -11.250 3.871 -7.242 121 HD1 TYR 26 HD1 TYR 26 -13.343 2.624 -4.470 122 HD2 TYR 26 HD2 TYR 26 -12.371 2.266 -8.592 123 HE1 TYR 26 HE1 TYR 26 -15.299 1.175 -4.801 124 HE2 TYR 26 HE2 TYR 26 -14.317 0.823 -8.935 125 HH TYR 26 HH TYR 26 -16.775 0.462 -6.587 126 H ASP 27 HN ASP 27 -8.460 3.069 -7.446 127 HA ASP 27 HA ASP 27 -8.993 0.794 -9.092 128 HB2 ASP 27 HB2 ASP 27 -7.951 2.963 -9.902 129 HB3 ASP 27 HB1 ASP 27 -6.475 2.489 -9.071 130 H GLU 28 HN GLU 28 -6.538 1.627 -6.679 131 HA GLU 28 HA GLU 28 -5.106 -0.815 -6.721 132 HB2 GLU 28 HB2 GLU 28 -4.374 1.299 -5.604 133 HB3 GLU 28 HB1 GLU 28 -5.640 1.075 -4.411 134 HG2 GLU 28 HG2 GLU 28 -3.504 0.389 -3.546 135 HG3 GLU 28 HG1 GLU 28 -4.600 -0.982 -3.662 136 H PHE 29 HN PHE 29 -7.953 0.320 -5.043 137 HA PHE 29 HA PHE 29 -8.453 -1.936 -3.440 138 HB2 PHE 29 HB2 PHE 29 -9.549 0.130 -2.988 139 HB3 PHE 29 HB1 PHE 29 -10.206 0.223 -4.614 140 HD1 PHE 29 HD1 PHE 29 -10.235 -2.425 -2.004 141 HD2 PHE 29 HD2 PHE 29 -12.467 0.135 -4.543 142 HE1 PHE 29 HE1 PHE 29 -12.311 -3.402 -1.141 143 HE2 PHE 29 HE2 PHE 29 -14.556 -0.845 -3.701 144 HZ PHE 29 HZ PHE 29 -14.472 -2.601 -1.987 145 H LYS 30 HN LYS 30 -9.682 -1.058 -6.684 146 HA LYS 30 HA LYS 30 -11.147 -3.393 -7.135 147 HB2 LYS 30 HB2 LYS 30 -9.662 -1.615 -9.069 148 HB3 LYS 30 HB1 LYS 30 -10.677 -2.951 -9.582 149 HG2 LYS 30 HG2 LYS 30 -12.585 -1.896 -8.467 150 HG3 LYS 30 HG1 LYS 30 -11.560 -0.545 -8.027 151 HD2 LYS 30 HD2 LYS 30 -12.080 -1.441 -10.861 152 HD3 LYS 30 HD1 LYS 30 -12.961 -0.144 -10.054 153 HE2 LYS 30 HE2 LYS 30 -10.852 1.066 -9.733 154 HE3 LYS 30 HE1 LYS 30 -9.993 -0.217 -10.583 155 HZ1 LYS 30 HZ1 LYS 30 -12.151 1.440 -11.768 156 HZ2 LYS 30 HZ2 LYS 30 -11.219 0.284 -12.571 157 HZ3 LYS 30 HZ3 LYS 30 -10.498 1.702 -12.001 158 H LYS 31 HN LYS 31 -7.821 -2.564 -7.886 159 HA LYS 31 HA LYS 31 -6.869 -4.893 -9.002 160 HB2 LYS 31 HB2 LYS 31 -5.595 -2.838 -8.869 161 HB3 LYS 31 HB1 LYS 31 -5.542 -2.945 -7.118 162 HG2 LYS 31 HG2 LYS 31 -4.249 -5.039 -7.361 163 HG3 LYS 31 HG1 LYS 31 -4.168 -4.738 -9.098 164 HD2 LYS 31 HD2 LYS 31 -3.079 -3.003 -6.883 165 HD3 LYS 31 HD1 LYS 31 -2.150 -3.926 -8.066 166 HE2 LYS 31 HE2 LYS 31 -2.918 -2.527 -9.852 167 HE3 LYS 31 HE1 LYS 31 -4.049 -1.700 -8.782 168 HZ1 LYS 31 HZ1 LYS 31 -2.182 -0.810 -7.539 169 HZ2 LYS 31 HZ2 LYS 31 -2.062 -0.383 -9.176 170 HZ3 LYS 31 HZ3 LYS 31 -1.093 -1.616 -8.553 171 H ARG 32 HN ARG 32 -6.807 -3.962 -5.592 172 HA ARG 32 HA ARG 32 -5.844 -6.392 -4.586 173 HB2 ARG 32 HB2 ARG 32 -7.285 -4.075 -3.386 174 HB3 ARG 32 HB1 ARG 32 -6.878 -5.467 -2.408 175 HG2 ARG 32 HG2 ARG 32 -4.511 -5.154 -2.990 176 HG3 ARG 32 HG1 ARG 32 -4.949 -3.733 -3.935 177 HD2 ARG 32 HD2 ARG 32 -5.807 -2.663 -1.900 178 HD3 ARG 32 HD1 ARG 32 -5.333 -4.080 -0.963 179 HE ARG 32 HE ARG 32 -3.016 -3.409 -2.100 180 HH11 ARG 32 HH11 ARG 32 -5.376 -1.460 -0.417 181 HH12 ARG 32 HH12 ARG 32 -4.233 -0.252 0.082 182 HH21 ARG 32 HH21 ARG 32 -1.492 -1.848 -1.428 183 HH22 ARG 32 HH22 ARG 32 -2.012 -0.501 -0.471 184 H ARG 33 HN ARG 33 -9.108 -5.241 -5.153 185 HA ARG 33 HA ARG 33 -10.392 -7.431 -3.850 186 HB2 ARG 33 HB2 ARG 33 -11.539 -5.354 -4.003 187 HB3 ARG 33 HB1 ARG 33 -11.376 -5.308 -5.746 188 HG2 ARG 33 HG2 ARG 33 -12.999 -6.956 -6.049 189 HG3 ARG 33 HG1 ARG 33 -12.912 -7.474 -4.366 190 HD2 ARG 33 HD2 ARG 33 -14.064 -5.636 -3.595 191 HD3 ARG 33 HD1 ARG 33 -13.711 -4.668 -5.022 192 HE ARG 33 HE ARG 33 -15.250 -6.475 -6.128 193 HH11 ARG 33 HH11 ARG 33 -15.626 -5.012 -2.971 194 HH12 ARG 33 HH12 ARG 33 -17.359 -5.075 -3.001 195 HH21 ARG 33 HH21 ARG 33 -17.531 -6.545 -6.186 196 HH22 ARG 33 HH22 ARG 33 -18.442 -5.943 -4.839 197 H GLU 34 HN GLU 34 -9.329 -6.821 -7.138 198 HA GLU 34 HA GLU 34 -10.574 -9.039 -8.356 199 HB2 GLU 34 HB2 GLU 34 -9.491 -7.194 -9.610 200 HB3 GLU 34 HB1 GLU 34 -7.923 -7.756 -9.043 201 HG2 GLU 34 HG2 GLU 34 -8.235 -9.860 -10.229 202 HG3 GLU 34 HG1 GLU 34 -9.820 -9.323 -10.779 203 H SER 35 HN SER 35 -7.485 -8.636 -6.702 204 HA SER 35 HA SER 35 -6.439 -11.200 -7.071 205 HB2 SER 35 HB2 SER 35 -6.080 -9.472 -4.619 206 HB3 SER 35 HB1 SER 35 -4.963 -10.680 -5.247 207 HG SER 35 HG SER 35 -4.522 -8.382 -5.749 208 H ARG 36 HN ARG 36 -9.098 -10.181 -5.176 209 HA ARG 36 HA ARG 36 -9.026 -12.667 -3.605 210 HB2 ARG 36 HB2 ARG 36 -10.179 -9.968 -3.068 211 HB3 ARG 36 HB1 ARG 36 -10.900 -11.356 -2.296 212 HG2 ARG 36 HG2 ARG 36 -9.404 -10.707 -0.695 213 HG3 ARG 36 HG1 ARG 36 -8.416 -11.860 -1.600 214 HD2 ARG 36 HD2 ARG 36 -7.625 -9.906 -2.966 215 HD3 ARG 36 HD1 ARG 36 -8.428 -8.871 -1.802 216 HE ARG 36 HE ARG 36 -6.813 -10.422 -0.266 217 HH11 ARG 36 HH11 ARG 36 -6.311 -8.376 -3.057 218 HH12 ARG 36 HH12 ARG 36 -4.675 -7.968 -2.632 219 HH21 ARG 36 HH21 ARG 36 -4.656 -9.869 0.313 220 HH22 ARG 36 HH22 ARG 36 -3.741 -8.810 -0.710 221 H GLY 37 HN GLY 37 -10.170 -11.779 -6.419 222 HA2 GLY 37 HA2 GLY 37 -11.890 -12.496 -7.759 223 HA3 GLY 37 HA1 GLY 37 -12.170 -13.745 -6.556 224 H GLY 38 HN GLY 38 -12.364 -10.303 -5.921 225 HA2 GLY 38 HA2 GLY 38 -14.307 -8.974 -5.767 226 HA3 GLY 38 HA1 GLY 38 -15.286 -10.418 -5.913 227 H LYS 39 HN LYS 39 -13.383 -11.644 -3.839 228 HA LYS 39 HA LYS 39 -15.053 -10.992 -1.591 229 HB2 LYS 39 HB2 LYS 39 -12.694 -12.849 -1.827 230 HB3 LYS 39 HB1 LYS 39 -13.753 -12.728 -0.427 231 HG2 LYS 39 HG2 LYS 39 -15.590 -13.142 -2.315 232 HG3 LYS 39 HG1 LYS 39 -14.220 -13.967 -3.055 233 HD2 LYS 39 HD2 LYS 39 -13.917 -15.324 -1.077 234 HD3 LYS 39 HD1 LYS 39 -15.205 -14.445 -0.254 235 HE2 LYS 39 HE2 LYS 39 -16.816 -15.267 -1.903 236 HE3 LYS 39 HE1 LYS 39 -15.526 -16.147 -2.723 237 HZ1 LYS 39 HZ1 LYS 39 -16.797 -17.588 -1.258 238 HZ2 LYS 39 HZ2 LYS 39 -16.422 -16.613 0.071 239 HZ3 LYS 39 HZ3 LYS 39 -15.197 -17.462 -0.727 240 H TYR 40 HN TYR 40 -14.019 -8.695 -2.047 241 HA TYR 40 HA TYR 40 -12.112 -8.230 0.109 242 HB2 TYR 40 HB2 TYR 40 -10.919 -8.516 -2.155 243 HB3 TYR 40 HB1 TYR 40 -11.662 -6.983 -2.585 244 HD1 TYR 40 HD2 TYR 40 -9.677 -8.470 0.191 245 HD2 TYR 40 HD1 TYR 40 -10.393 -5.068 -2.263 246 HE1 TYR 40 HE2 TYR 40 -7.817 -7.307 1.281 247 HE2 TYR 40 HE1 TYR 40 -8.527 -3.889 -1.172 248 HH TYR 40 HH TYR 40 -7.331 -4.130 1.218 249 H SER 41 HN SER 41 -13.504 -6.950 1.299 250 HA SER 41 HA SER 41 -15.225 -5.083 -0.110 251 HB2 SER 41 HB2 SER 41 -15.417 -4.647 2.646 252 HB3 SER 41 HB1 SER 41 -16.578 -5.457 1.610 253 HG SER 41 HG SER 41 -14.355 -6.692 2.912 254 H ILE 42 HN ILE 42 -15.405 -2.830 0.978 255 HA ILE 42 HA ILE 42 -12.988 -1.515 0.431 256 HB ILE 42 HB ILE 42 -15.380 -0.546 0.448 257 HG12 ILE 42 HG12 ILE 42 -14.321 1.732 1.245 258 HG13 ILE 42 HG11 ILE 42 -12.853 0.764 1.300 259 HG21 ILE 42 HG21 ILE 42 -15.872 -1.076 2.792 260 HG22 ILE 42 HG22 ILE 42 -16.013 0.652 2.457 261 HG23 ILE 42 HG23 ILE 42 -14.587 0.030 3.299 262 HD11 ILE 42 HD11 ILE 42 -14.576 0.926 -1.125 263 HD12 ILE 42 HD12 ILE 42 -12.924 0.316 -0.985 264 HD13 ILE 42 HD13 ILE 42 -13.250 2.038 -0.800 265 H ASP 43 HN ASP 43 -14.353 -2.752 3.414 266 HA ASP 43 HA ASP 43 -12.674 -1.367 5.200 267 HB2 ASP 43 HB2 ASP 43 -14.660 -2.393 6.044 268 HB3 ASP 43 HB1 ASP 43 -14.152 -3.966 5.458 269 H ASP 44 HN ASP 44 -12.344 -4.502 3.603 270 HA ASP 44 HA ASP 44 -9.916 -5.277 4.773 271 HB2 ASP 44 HB2 ASP 44 -10.779 -5.791 1.918 272 HB3 ASP 44 HB1 ASP 44 -9.594 -6.697 2.843 273 H TYR 45 HN TYR 45 -10.685 -3.217 2.038 274 HA TYR 45 HA TYR 45 -7.992 -2.673 1.311 275 HB2 TYR 45 HB2 TYR 45 -9.774 -2.296 -0.285 276 HB3 TYR 45 HB1 TYR 45 -10.521 -1.104 0.774 277 HD1 TYR 45 HD2 TYR 45 -7.512 -1.806 -1.267 278 HD2 TYR 45 HD1 TYR 45 -9.803 1.150 0.758 279 HE1 TYR 45 HE2 TYR 45 -6.108 -0.057 -2.263 280 HE2 TYR 45 HE1 TYR 45 -8.391 2.921 -0.237 281 HH TYR 45 HH TYR 45 -5.945 3.009 -1.139 282 H LEU 46 HN LEU 46 -10.392 -0.967 3.248 283 HA LEU 46 HA LEU 46 -8.891 1.314 3.800 284 HB2 LEU 46 HB2 LEU 46 -11.093 -0.018 5.370 285 HB3 LEU 46 HB1 LEU 46 -10.478 1.578 5.715 286 HG LEU 46 HG LEU 46 -11.851 0.748 3.166 287 HD11 LEU 46 HD11 LEU 46 -13.636 2.233 3.928 288 HD12 LEU 46 HD12 LEU 46 -12.759 2.518 5.432 289 HD13 LEU 46 HD13 LEU 46 -13.374 0.907 5.060 290 HD21 LEU 46 HD21 LEU 46 -10.777 3.423 4.048 291 HD22 LEU 46 HD22 LEU 46 -11.791 3.150 2.631 292 HD23 LEU 46 HD23 LEU 46 -10.181 2.435 2.714 293 H ALA 47 HN ALA 47 -8.986 -1.823 5.364 294 HA ALA 47 HA ALA 47 -7.338 -1.225 7.584 295 HB1 ALA 47 HB1 ALA 47 -7.735 -3.822 6.079 296 HB2 ALA 47 HB2 ALA 47 -8.674 -3.255 7.464 297 HB3 ALA 47 HB3 ALA 47 -6.971 -3.664 7.665 298 H ASP 48 HN ASP 48 -6.588 -2.270 4.286 299 HA ASP 48 HA ASP 48 -3.747 -2.358 4.775 300 HB2 ASP 48 HB2 ASP 48 -5.235 -3.539 2.911 301 HB3 ASP 48 HB1 ASP 48 -4.884 -2.063 2.019 302 H ARG 49 HN ARG 49 -6.100 -0.092 3.588 303 HA ARG 49 HA ARG 49 -4.409 1.906 2.563 304 HB2 ARG 49 HB2 ARG 49 -6.854 1.752 2.177 305 HB3 ARG 49 HB1 ARG 49 -7.121 2.206 3.851 306 HG2 ARG 49 HG2 ARG 49 -6.090 4.363 3.452 307 HG3 ARG 49 HG1 ARG 49 -5.777 3.917 1.774 308 HD2 ARG 49 HD2 ARG 49 -8.195 3.646 1.432 309 HD3 ARG 49 HD1 ARG 49 -8.488 4.162 3.082 310 HE ARG 49 HE ARG 49 -7.671 5.832 0.830 311 HH11 ARG 49 HH11 ARG 49 -8.185 5.612 4.298 312 HH12 ARG 49 HH12 ARG 49 -8.438 7.319 4.483 313 HH21 ARG 49 HH21 ARG 49 -8.003 8.037 1.072 314 HH22 ARG 49 HH22 ARG 49 -8.328 8.705 2.649 315 H GLU 50 HN GLU 50 -5.727 1.319 5.782 316 HA GLU 50 HA GLU 50 -4.662 3.511 7.135 317 HB2 GLU 50 HB2 GLU 50 -5.264 0.687 7.980 318 HB3 GLU 50 HB1 GLU 50 -4.589 1.858 9.108 319 HG2 GLU 50 HG2 GLU 50 -7.157 2.220 7.589 320 HG3 GLU 50 HG1 GLU 50 -7.037 1.645 9.251 321 H ARG 51 HN ARG 51 -3.177 0.624 5.940 322 HA ARG 51 HA ARG 51 -0.698 1.033 7.374 323 HB2 ARG 51 HB2 ARG 51 -1.318 -0.915 5.159 324 HB3 ARG 51 HB1 ARG 51 0.048 -0.978 6.265 325 HG2 ARG 51 HG2 ARG 51 -2.162 -0.944 7.927 326 HG3 ARG 51 HG1 ARG 51 -2.640 -1.978 6.582 327 HD2 ARG 51 HD2 ARG 51 -0.724 -3.365 6.871 328 HD3 ARG 51 HD1 ARG 51 -0.048 -2.267 8.075 329 HE ARG 51 HE ARG 51 -2.620 -3.278 8.820 330 HH11 ARG 51 HH11 ARG 51 0.799 -4.002 8.780 331 HH12 ARG 51 HH12 ARG 51 0.714 -5.112 10.110 332 HH21 ARG 51 HH21 ARG 51 -2.741 -4.735 10.591 333 HH22 ARG 51 HH22 ARG 51 -1.299 -5.531 11.137 334 H GLU 52 HN GLU 52 -2.105 1.775 4.323 335 HA GLU 52 HA GLU 52 0.154 1.891 2.705 336 HB2 GLU 52 HB2 GLU 52 -2.501 3.262 2.513 337 HB3 GLU 52 HB1 GLU 52 -1.239 3.509 1.313 338 HG2 GLU 52 HG2 GLU 52 -1.200 1.097 0.880 339 HG3 GLU 52 HG1 GLU 52 -2.506 0.881 2.042 340 H GLU 53 HN GLU 53 -0.795 4.056 5.175 341 HA GLU 53 HA GLU 53 0.322 6.443 4.275 342 HB2 GLU 53 HB2 GLU 53 0.222 5.323 7.077 343 HB3 GLU 53 HB1 GLU 53 0.651 6.983 6.686 344 HG2 GLU 53 HG2 GLU 53 -1.988 5.644 6.152 345 HG3 GLU 53 HG1 GLU 53 -1.651 6.849 7.391 346 H GLU 54 HN GLU 54 1.865 3.676 5.868 347 HA GLU 54 HA GLU 54 4.470 4.936 5.620 348 HB2 GLU 54 HB2 GLU 54 5.330 2.915 6.734 349 HB3 GLU 54 HB1 GLU 54 4.034 3.670 7.649 350 HG2 GLU 54 HG2 GLU 54 2.463 2.004 6.750 351 HG3 GLU 54 HG1 GLU 54 3.804 1.229 5.908 352 H LEU 55 HN LEU 55 2.446 2.938 3.802 353 HA LEU 55 HA LEU 55 4.556 1.510 2.432 354 HB2 LEU 55 HB2 LEU 55 1.646 1.667 1.670 355 HB3 LEU 55 HB1 LEU 55 2.815 0.480 1.132 356 HG LEU 55 HG LEU 55 1.760 0.763 3.948 357 HD11 LEU 55 HD11 LEU 55 1.310 -1.404 1.902 358 HD12 LEU 55 HD12 LEU 55 0.138 -0.164 2.348 359 HD13 LEU 55 HD13 LEU 55 0.661 -1.352 3.542 360 HD21 LEU 55 HD21 LEU 55 4.080 0.015 3.933 361 HD22 LEU 55 HD22 LEU 55 3.672 -1.251 2.775 362 HD23 LEU 55 HD23 LEU 55 2.997 -1.294 4.404 363 H LEU 56 HN LEU 56 3.240 4.571 2.227 364 HA LEU 56 HA LEU 56 3.487 5.014 -0.574 365 HB2 LEU 56 HB2 LEU 56 3.648 6.948 1.744 366 HB3 LEU 56 HB1 LEU 56 3.556 7.418 0.057 367 HG LEU 56 HG LEU 56 1.421 5.901 1.561 368 HD11 LEU 56 HD11 LEU 56 1.596 8.195 2.332 369 HD12 LEU 56 HD12 LEU 56 0.133 7.978 1.372 370 HD13 LEU 56 HD13 LEU 56 1.539 8.777 0.668 371 HD21 LEU 56 HD21 LEU 56 0.050 6.350 -0.432 372 HD22 LEU 56 HD22 LEU 56 1.433 5.318 -0.789 373 HD23 LEU 56 HD23 LEU 56 1.467 7.022 -1.238 374 H GLU 57 HN GLU 57 5.691 4.643 1.993 375 HA GLU 57 HA GLU 57 7.901 5.537 0.270 376 HB2 GLU 57 HB2 GLU 57 7.643 5.527 3.274 377 HB3 GLU 57 HB1 GLU 57 9.192 5.692 2.461 378 HG2 GLU 57 HG2 GLU 57 8.366 7.708 1.331 379 HG3 GLU 57 HG1 GLU 57 6.836 7.548 2.195 380 H ARG 58 HN ARG 58 7.847 3.454 -0.744 381 HA ARG 58 HA ARG 58 8.921 1.288 0.935 382 HB2 ARG 58 HB2 ARG 58 7.532 1.140 -1.748 383 HB3 ARG 58 HB1 ARG 58 8.214 -0.234 -0.896 384 HG2 ARG 58 HG2 ARG 58 5.974 1.490 0.136 385 HG3 ARG 58 HG1 ARG 58 5.770 -0.060 -0.678 386 HD2 ARG 58 HD2 ARG 58 5.632 -0.578 1.594 387 HD3 ARG 58 HD1 ARG 58 7.281 -1.012 1.151 388 HE ARG 58 HE ARG 58 7.395 1.589 2.073 389 HH11 ARG 58 HH11 ARG 58 6.493 -1.545 3.352 390 HH12 ARG 58 HH12 ARG 58 6.883 -1.125 4.993 391 HH21 ARG 58 HH21 ARG 58 7.906 2.145 4.215 392 HH22 ARG 58 HH22 ARG 58 7.691 0.976 5.483 393 H ASP 59 HN ASP 59 10.939 0.634 0.601 394 HA ASP 59 HA ASP 59 12.650 2.081 -1.147 395 HB2 ASP 59 HB2 ASP 59 14.425 0.687 -0.295 396 HB3 ASP 59 HB1 ASP 59 13.362 1.116 1.040 397 H GLU 60 HN GLU 60 10.652 -0.580 -1.630 398 HA GLU 60 HA GLU 60 12.239 -1.821 -3.700 399 HB2 GLU 60 HB2 GLU 60 9.382 -2.317 -2.847 400 HB3 GLU 60 HB1 GLU 60 10.307 -3.320 -3.958 401 HG2 GLU 60 HG2 GLU 60 11.850 -3.908 -2.195 402 HG3 GLU 60 HG1 GLU 60 11.019 -2.830 -1.075 403 H GLU 61 HN GLU 61 10.165 0.837 -3.517 404 HA GLU 61 HA GLU 61 9.146 0.462 -6.223 405 HB2 GLU 61 HB2 GLU 61 7.521 1.165 -4.562 406 HB3 GLU 61 HB1 GLU 61 8.495 2.575 -4.166 407 HG2 GLU 61 HG2 GLU 61 8.100 3.540 -6.307 408 HG3 GLU 61 HG1 GLU 61 7.336 2.063 -6.890 409 H GLU 62 HN GLU 62 10.472 3.333 -4.520 410 HA GLU 62 HA GLU 62 11.966 3.892 -6.981 411 HB2 GLU 62 HB2 GLU 62 9.595 5.143 -6.435 412 HB3 GLU 62 HB1 GLU 62 10.757 6.268 -5.743 413 HG2 GLU 62 HG2 GLU 62 11.909 6.443 -7.854 414 HG3 GLU 62 HG1 GLU 62 10.856 5.222 -8.563 415 H ALA 63 HN ALA 63 12.814 6.495 -6.131 416 HA ALA 63 HA ALA 63 15.070 5.606 -4.590 417 HB1 ALA 63 HB1 ALA 63 15.336 7.104 -6.506 418 HB2 ALA 63 HB2 ALA 63 15.973 7.824 -5.028 419 HB3 ALA 63 HB3 ALA 63 14.413 8.346 -5.661 420 H ILE 64 HN ILE 64 13.280 5.198 -2.794 421 HA ILE 64 HA ILE 64 13.014 7.586 -1.117 422 HB ILE 64 HB ILE 64 11.832 4.829 -0.716 423 HG12 ILE 64 HG12 ILE 64 9.705 6.418 -1.089 424 HG13 ILE 64 HG11 ILE 64 10.869 7.287 -2.078 425 HG21 ILE 64 HG21 ILE 64 11.296 7.400 0.760 426 HG22 ILE 64 HG22 ILE 64 12.181 6.013 1.390 427 HG23 ILE 64 HG23 ILE 64 10.465 5.867 1.011 428 HD11 ILE 64 HD11 ILE 64 11.293 5.247 -3.355 429 HD12 ILE 64 HD12 ILE 64 9.596 5.731 -3.414 430 HD13 ILE 64 HD13 ILE 64 10.098 4.396 -2.374 431 H PHE 65 HN PHE 65 14.797 4.670 -1.425 432 HA PHE 65 HA PHE 65 15.606 4.596 1.356 433 HB2 PHE 65 HB2 PHE 65 16.901 2.578 0.657 434 HB3 PHE 65 HB1 PHE 65 15.176 2.470 0.334 435 HD1 PHE 65 HD2 PHE 65 14.390 2.971 -2.048 436 HD2 PHE 65 HD1 PHE 65 18.451 2.208 -1.041 437 HE1 PHE 65 HE2 PHE 65 14.856 2.412 -4.392 438 HE2 PHE 65 HE1 PHE 65 18.928 1.640 -3.387 439 HZ PHE 65 HZ PHE 65 17.130 1.738 -5.065 440 H GLY 66 HN GLY 66 16.379 6.946 0.023 441 HA2 GLY 66 HA2 GLY 66 18.396 8.129 0.565 442 HA3 GLY 66 HA1 GLY 66 19.297 6.655 0.247 443 H ASP 67 HN ASP 67 19.949 6.185 -1.811 444 HA ASP 67 HA ASP 67 19.999 8.437 -3.620 445 HB2 ASP 67 HB2 ASP 67 21.297 5.710 -3.741 446 HB3 ASP 67 HB1 ASP 67 21.502 6.942 -4.981 447 H GLY 68 HN GLY 68 20.176 7.154 -6.081 448 HA2 GLY 68 HA2 GLY 68 17.488 7.106 -6.881 449 HA3 GLY 68 HA1 GLY 68 18.852 6.586 -7.856 450 H PHE 69 HN PHE 69 16.692 5.216 -8.342 451 HA PHE 69 HA PHE 69 16.752 2.850 -6.610 452 HB2 PHE 69 HB2 PHE 69 14.453 2.388 -7.378 453 HB3 PHE 69 HB1 PHE 69 14.585 3.940 -6.564 454 HD1 PHE 69 HD1 PHE 69 14.872 6.016 -8.117 455 HD2 PHE 69 HD2 PHE 69 13.390 2.246 -9.412 456 HE1 PHE 69 HE1 PHE 69 13.791 7.108 -10.036 457 HE2 PHE 69 HE2 PHE 69 12.306 3.330 -11.337 458 HZ PHE 69 HZ PHE 69 12.508 5.764 -11.650 459 H GLY 70 HN GLY 70 17.857 1.233 -7.446 460 HA2 GLY 70 HA2 GLY 70 17.855 0.849 -10.357 461 HA3 GLY 70 HA1 GLY 70 18.951 0.081 -9.216 462 H LEU 71 HN LEU 71 15.592 0.218 -8.460 463 HA LEU 71 HA LEU 71 15.442 -2.691 -8.833 464 HB2 LEU 71 HB2 LEU 71 13.818 -0.881 -7.044 465 HB3 LEU 71 HB1 LEU 71 13.635 -2.621 -7.158 466 HG LEU 71 HG LEU 71 16.111 -1.193 -6.181 467 HD11 LEU 71 HD11 LEU 71 14.259 -0.971 -4.625 468 HD12 LEU 71 HD12 LEU 71 15.490 -2.061 -3.989 469 HD13 LEU 71 HD13 LEU 71 14.000 -2.714 -4.668 470 HD21 LEU 71 HD21 LEU 71 16.850 -3.427 -5.502 471 HD22 LEU 71 HD22 LEU 71 16.637 -3.315 -7.248 472 HD23 LEU 71 HD23 LEU 71 15.421 -4.128 -6.262 473 H LYS 72 HN LYS 72 13.035 -0.046 -8.726 474 HA LYS 72 HA LYS 72 11.262 -1.299 -10.539 475 HB2 LYS 72 HB2 LYS 72 10.622 0.472 -8.903 476 HB3 LYS 72 HB1 LYS 72 11.485 1.644 -9.882 477 HG2 LYS 72 HG2 LYS 72 9.946 1.226 -11.738 478 HG3 LYS 72 HG1 LYS 72 9.075 0.056 -10.744 479 HD2 LYS 72 HD2 LYS 72 8.587 1.838 -9.116 480 HD3 LYS 72 HD1 LYS 72 9.416 2.996 -10.154 481 HE2 LYS 72 HE2 LYS 72 7.056 3.195 -10.526 482 HE3 LYS 72 HE1 LYS 72 7.786 2.463 -11.952 483 HZ1 LYS 72 HZ1 LYS 72 6.349 1.005 -9.801 484 HZ2 LYS 72 HZ2 LYS 72 7.056 0.297 -11.159 485 HZ3 LYS 72 HZ3 LYS 72 5.745 1.345 -11.343 486 H ALA 73 HN ALA 73 13.999 0.797 -10.928 487 HA ALA 73 HA ALA 73 13.555 1.335 -13.703 488 HB1 ALA 73 HB1 ALA 73 15.833 2.238 -13.669 489 HB2 ALA 73 HB2 ALA 73 16.052 1.609 -12.036 490 HB3 ALA 73 HB3 ALA 73 14.862 2.874 -12.341 491 H THR 74 HN THR 74 13.114 -0.882 -14.278 492 HA THR 74 HA THR 74 15.014 -2.952 -14.100 493 HB THR 74 HB THR 74 13.625 -4.006 -15.930 494 HG1 THR 74 HG1 THR 74 11.600 -2.179 -15.671 495 HG21 THR 74 HG21 THR 74 12.132 -2.900 -13.547 496 HG22 THR 74 HG22 THR 74 13.113 -4.365 -13.562 497 HG23 THR 74 HG23 THR 74 11.636 -4.284 -14.522 498 H ARG 75 HN ARG 75 14.448 -0.420 -16.455 499 HA ARG 75 HA ARG 75 15.488 0.192 -18.385 500 HB2 ARG 75 HB2 ARG 75 17.898 -0.996 -17.003 501 HB3 ARG 75 HB1 ARG 75 17.939 0.117 -18.362 502 HG2 ARG 75 HG2 ARG 75 16.906 1.846 -16.980 503 HG3 ARG 75 HG1 ARG 75 16.867 0.726 -15.615 504 HD2 ARG 75 HD2 ARG 75 19.308 1.787 -17.026 505 HD3 ARG 75 HD1 ARG 75 18.778 2.170 -15.389 506 HE ARG 75 HE ARG 75 19.084 -0.569 -15.465 507 HH11 ARG 75 HH11 ARG 75 21.129 2.229 -15.938 508 HH12 ARG 75 HH12 ARG 75 22.573 1.411 -15.431 509 HH21 ARG 75 HH21 ARG 75 20.972 -1.645 -14.807 510 HH22 ARG 75 HH22 ARG 75 22.486 -0.797 -14.788 511 H ARG 76 HN ARG 76 14.124 -1.713 -19.152 512 HA ARG 76 HA ARG 76 15.541 -4.067 -20.004 513 HB2 ARG 76 HB2 ARG 76 12.792 -3.025 -20.720 514 HB3 ARG 76 HB1 ARG 76 13.405 -4.623 -21.124 515 HG2 ARG 76 HG2 ARG 76 13.419 -5.305 -18.875 516 HG3 ARG 76 HG1 ARG 76 13.236 -3.651 -18.289 517 HD2 ARG 76 HD2 ARG 76 11.170 -5.212 -19.835 518 HD3 ARG 76 HD1 ARG 76 11.154 -4.926 -18.096 519 HE ARG 76 HE ARG 76 11.163 -2.613 -19.890 520 HH11 ARG 76 HH11 ARG 76 9.436 -4.656 -17.638 521 HH12 ARG 76 HH12 ARG 76 8.156 -3.514 -17.388 522 HH21 ARG 76 HH21 ARG 76 9.489 -1.101 -19.557 523 HH22 ARG 76 HH22 ARG 76 8.184 -1.492 -18.484 524 H SER 77 HN SER 77 14.866 -4.565 -22.547 525 HA SER 77 HA SER 77 16.628 -2.944 -24.036 526 HB2 SER 77 HB2 SER 77 14.549 -4.805 -25.164 527 HB3 SER 77 HB1 SER 77 16.076 -4.328 -25.901 528 HG SER 77 HG SER 77 15.555 -6.259 -24.016 529 H ARG 78 HN ARG 78 15.939 -0.819 -23.909 530 HA ARG 78 HA ARG 78 13.276 -0.045 -24.630 531 HB2 ARG 78 HB2 ARG 78 15.770 1.611 -24.193 532 HB3 ARG 78 HB1 ARG 78 14.147 2.261 -24.380 533 HG2 ARG 78 HG2 ARG 78 13.437 1.126 -22.350 534 HG3 ARG 78 HG1 ARG 78 15.040 0.418 -22.172 535 HD2 ARG 78 HD2 ARG 78 16.008 2.642 -21.926 536 HD3 ARG 78 HD1 ARG 78 14.417 3.369 -22.144 537 HE ARG 78 HE ARG 78 14.103 1.663 -20.034 538 HH11 ARG 78 HH11 ARG 78 16.243 4.341 -20.737 539 HH12 ARG 78 HH12 ARG 78 16.421 4.804 -19.075 540 HH21 ARG 78 HH21 ARG 78 14.334 2.275 -17.837 541 HH22 ARG 78 HH22 ARG 78 15.339 3.624 -17.425 542 H LYS 79 HN LYS 79 16.358 -0.315 -26.219 543 HA LYS 79 HA LYS 79 15.265 0.912 -28.648 544 HB2 LYS 79 HB2 LYS 79 18.089 0.188 -27.860 545 HB3 LYS 79 HB1 LYS 79 17.648 0.747 -29.466 546 HG2 LYS 79 HG2 LYS 79 16.831 2.847 -28.501 547 HG3 LYS 79 HG1 LYS 79 17.314 2.287 -26.900 548 HD2 LYS 79 HD2 LYS 79 19.628 2.216 -27.572 549 HD3 LYS 79 HD1 LYS 79 19.194 2.609 -29.237 550 HE2 LYS 79 HE2 LYS 79 18.712 4.404 -26.861 551 HE3 LYS 79 HE1 LYS 79 20.081 4.543 -27.962 552 HZ1 LYS 79 HZ1 LYS 79 18.305 6.081 -28.534 553 HZ2 LYS 79 HZ2 LYS 79 17.224 4.799 -28.730 554 HZ3 LYS 79 HZ3 LYS 79 18.541 4.957 -29.774 555 H ALA 80 HN ALA 80 14.106 -1.461 -28.060 556 HA ALA 80 HA ALA 80 15.477 -3.583 -29.485 557 HB1 ALA 80 HB1 ALA 80 13.571 -4.971 -28.861 558 HB2 ALA 80 HB2 ALA 80 12.736 -3.552 -28.228 559 HB3 ALA 80 HB3 ALA 80 14.217 -4.120 -27.458 560 H GLU 81 HN GLU 81 12.209 -2.197 -29.749 561 HA GLU 81 HA GLU 81 12.459 -2.378 -32.673 562 HB2 GLU 81 HB2 GLU 81 11.128 -4.261 -32.040 563 HB3 GLU 81 HB1 GLU 81 10.168 -3.288 -30.934 564 HG2 GLU 81 HG2 GLU 81 9.153 -2.113 -32.762 565 HG3 GLU 81 HG1 GLU 81 10.199 -2.938 -33.920 566 H ARG 82 HN ARG 82 10.181 -1.234 -30.200 567 HA ARG 82 HA ARG 82 8.965 0.653 -30.003 568 HB2 ARG 82 HB2 ARG 82 11.556 1.806 -31.027 569 HB3 ARG 82 HB1 ARG 82 10.230 2.793 -30.432 570 HG2 ARG 82 HG2 ARG 82 11.804 0.760 -28.868 571 HG3 ARG 82 HG1 ARG 82 11.867 2.516 -28.696 572 HD2 ARG 82 HD2 ARG 82 9.433 2.452 -28.105 573 HD3 ARG 82 HD1 ARG 82 9.552 0.695 -28.077 574 HE ARG 82 HE ARG 82 11.518 1.894 -26.409 575 HH11 ARG 82 HH11 ARG 82 8.138 1.018 -26.576 576 HH12 ARG 82 HH12 ARG 82 7.925 0.978 -24.855 577 HH21 ARG 82 HH21 ARG 82 11.242 1.853 -24.134 578 HH22 ARG 82 HH22 ARG 82 9.693 1.455 -23.464 579 H ALA 83 HN ALA 83 7.939 -0.541 -32.022 580 HA ALA 83 HA ALA 83 7.914 1.012 -34.430 581 HB1 ALA 83 HB1 ALA 83 6.021 -0.390 -35.073 582 HB2 ALA 83 HB2 ALA 83 5.920 -1.028 -33.431 583 HB3 ALA 83 HB3 ALA 83 7.333 -1.377 -34.428 584 H LYS 84 HN LYS 84 6.238 0.979 -31.407 585 HA LYS 84 HA LYS 84 4.562 3.239 -32.263 586 HB2 LYS 84 HB2 LYS 84 4.334 1.495 -29.798 587 HB3 LYS 84 HB1 LYS 84 3.240 2.799 -30.233 588 HG2 LYS 84 HG2 LYS 84 3.667 0.265 -31.804 589 HG3 LYS 84 HG1 LYS 84 2.293 0.614 -30.755 590 HD2 LYS 84 HD2 LYS 84 1.742 2.552 -32.196 591 HD3 LYS 84 HD1 LYS 84 3.061 2.090 -33.272 592 HE2 LYS 84 HE2 LYS 84 0.654 0.403 -32.603 593 HE3 LYS 84 HE1 LYS 84 0.895 1.304 -34.097 594 HZ1 LYS 84 HZ1 LYS 84 2.868 -0.072 -34.522 595 HZ2 LYS 84 HZ2 LYS 84 1.456 -0.993 -34.425 596 HZ3 LYS 84 HZ3 LYS 84 2.539 -0.973 -33.130 597 H LEU 85 HN LEU 85 4.137 4.506 -29.898 598 HA LEU 85 HA LEU 85 4.979 6.128 -28.566 599 HB2 LEU 85 HB2 LEU 85 7.146 4.061 -28.289 600 HB3 LEU 85 HB1 LEU 85 7.256 5.610 -27.478 601 HG LEU 85 HG LEU 85 5.049 5.069 -26.369 602 HD11 LEU 85 HD11 LEU 85 4.290 3.333 -27.905 603 HD12 LEU 85 HD12 LEU 85 4.392 2.726 -26.251 604 HD13 LEU 85 HD13 LEU 85 5.643 2.309 -27.422 605 HD21 LEU 85 HD21 LEU 85 7.192 4.893 -25.221 606 HD22 LEU 85 HD22 LEU 85 7.378 3.242 -25.812 607 HD23 LEU 85 HD23 LEU 85 6.075 3.637 -24.691 Start of MODEL 14 1 H1 GLY 11 HT1 GLY 11 -27.313 8.099 2.975 2 H2 GLY 11 HT2 GLY 11 -26.791 8.183 1.374 3 H3 GLY 11 HT3 GLY 11 -26.432 9.442 2.445 4 HA2 GLY 11 HA1 GLY 11 -24.484 8.089 2.100 5 HA3 GLY 11 HA2 GLY 11 -25.047 7.966 3.760 6 H ARG 12 HN ARG 12 -23.612 6.175 1.668 7 HA ARG 12 HA ARG 12 -25.329 3.913 1.364 8 HB2 ARG 12 HB2 ARG 12 -22.361 4.282 0.973 9 HB3 ARG 12 HB1 ARG 12 -23.196 2.770 0.643 10 HG2 ARG 12 HG2 ARG 12 -24.582 3.888 -1.018 11 HG3 ARG 12 HG1 ARG 12 -23.763 5.415 -0.679 12 HD2 ARG 12 HD2 ARG 12 -22.409 2.915 -1.680 13 HD3 ARG 12 HD1 ARG 12 -22.914 4.262 -2.698 14 HE ARG 12 HE ARG 12 -21.022 4.719 -0.494 15 HH11 ARG 12 HH11 ARG 12 -21.721 4.643 -3.921 16 HH12 ARG 12 HH12 ARG 12 -20.313 5.556 -4.357 17 HH21 ARG 12 HH21 ARG 12 -19.157 5.913 -1.068 18 HH22 ARG 12 HH22 ARG 12 -18.853 6.263 -2.742 19 HA PRO 13 HA PRO 13 -24.585 1.900 5.264 20 HB2 PRO 13 HB2 PRO 13 -25.013 -0.664 3.927 21 HB3 PRO 13 HB1 PRO 13 -26.016 0.143 5.134 22 HG2 PRO 13 HG2 PRO 13 -26.780 -0.127 2.555 23 HG3 PRO 13 HG1 PRO 13 -27.251 1.262 3.551 24 HD2 PRO 13 HD2 PRO 13 -25.104 1.058 1.475 25 HD3 PRO 13 HD1 PRO 13 -26.252 2.376 1.788 26 H GLY 14 HN GLY 14 -23.463 -0.310 5.960 27 HA2 GLY 14 HA2 GLY 14 -20.696 0.069 5.324 28 HA3 GLY 14 HA1 GLY 14 -21.356 -1.109 6.443 29 H VAL 15 HN VAL 15 -22.510 -1.008 3.189 30 HA VAL 15 HA VAL 15 -21.259 -3.580 2.612 31 HB VAL 15 HB VAL 15 -22.712 -3.594 0.607 32 HG11 VAL 15 HG11 VAL 15 -23.518 -4.565 2.693 33 HG12 VAL 15 HG12 VAL 15 -24.843 -3.845 1.779 34 HG13 VAL 15 HG13 VAL 15 -24.174 -3.002 3.177 35 HG21 VAL 15 HG21 VAL 15 -23.775 -0.983 1.690 36 HG22 VAL 15 HG22 VAL 15 -24.419 -1.874 0.310 37 HG23 VAL 15 HG23 VAL 15 -22.802 -1.170 0.232 38 H PHE 16 HN PHE 16 -20.921 -0.257 1.977 39 HA PHE 16 HA PHE 16 -18.530 -0.595 0.494 40 HB2 PHE 16 HB2 PHE 16 -20.140 -1.053 -1.325 41 HB3 PHE 16 HB1 PHE 16 -20.912 0.500 -1.026 42 HD1 PHE 16 HD2 PHE 16 -17.401 -0.695 -1.498 43 HD2 PHE 16 HD1 PHE 16 -20.436 2.073 -2.612 44 HE1 PHE 16 HE2 PHE 16 -15.842 0.384 -3.060 45 HE2 PHE 16 HE1 PHE 16 -18.878 3.155 -4.178 46 HZ PHE 16 HZ PHE 16 -16.579 2.311 -4.402 47 H ARG 17 HN ARG 17 -17.980 0.674 2.348 48 HA ARG 17 HA ARG 17 -18.827 3.470 2.230 49 HB2 ARG 17 HB2 ARG 17 -17.246 1.948 4.308 50 HB3 ARG 17 HB1 ARG 17 -17.584 3.670 4.396 51 HG2 ARG 17 HG2 ARG 17 -19.703 1.538 4.294 52 HG3 ARG 17 HG1 ARG 17 -19.081 2.252 5.781 53 HD2 ARG 17 HD2 ARG 17 -20.446 3.737 3.539 54 HD3 ARG 17 HD1 ARG 17 -21.174 3.306 5.085 55 HE ARG 17 HE ARG 17 -18.807 4.805 5.495 56 HH11 ARG 17 HH11 ARG 17 -22.141 5.151 4.484 57 HH12 ARG 17 HH12 ARG 17 -22.244 6.818 4.965 58 HH21 ARG 17 HH21 ARG 17 -18.944 6.997 6.142 59 HH22 ARG 17 HH22 ARG 17 -20.428 7.864 5.911 60 H THR 18 HN THR 18 -17.675 4.581 0.768 61 HA THR 18 HA THR 18 -15.107 3.825 -0.113 62 HB THR 18 HB THR 18 -15.162 6.310 -0.991 63 HG1 THR 18 HG1 THR 18 -16.963 7.321 -0.579 64 HG21 THR 18 HG21 THR 18 -17.007 4.145 -1.992 65 HG22 THR 18 HG22 THR 18 -15.304 4.344 -2.408 66 HG23 THR 18 HG23 THR 18 -16.483 5.554 -2.915 67 H ARG 19 HN ARG 19 -16.177 5.949 2.428 68 HA ARG 19 HA ARG 19 -15.091 7.124 4.037 69 HB2 ARG 19 HB2 ARG 19 -13.641 5.242 4.402 70 HB3 ARG 19 HB1 ARG 19 -12.684 5.640 2.985 71 HG2 ARG 19 HG2 ARG 19 -11.935 7.702 4.093 72 HG3 ARG 19 HG1 ARG 19 -12.857 7.245 5.527 73 HD2 ARG 19 HD2 ARG 19 -11.525 5.227 5.762 74 HD3 ARG 19 HD1 ARG 19 -10.630 5.623 4.294 75 HE ARG 19 HE ARG 19 -10.174 7.786 5.798 76 HH11 ARG 19 HH11 ARG 19 -10.081 4.396 6.646 77 HH12 ARG 19 HH12 ARG 19 -8.726 4.566 7.723 78 HH21 ARG 19 HH21 ARG 19 -8.413 8.022 7.259 79 HH22 ARG 19 HH22 ARG 19 -7.796 6.622 8.078 80 H GLY 20 HN GLY 20 -12.859 7.026 1.297 81 HA2 GLY 20 HA2 GLY 20 -13.415 9.590 0.316 82 HA3 GLY 20 HA1 GLY 20 -12.031 9.704 1.402 83 H LEU 21 HN LEU 21 -12.953 7.024 -0.667 84 HA LEU 21 HA LEU 21 -10.266 6.757 -1.593 85 HB2 LEU 21 HB2 LEU 21 -12.681 5.176 -1.640 86 HB3 LEU 21 HB1 LEU 21 -11.896 5.159 -3.210 87 HG LEU 21 HG LEU 21 -9.767 4.570 -1.948 88 HD11 LEU 21 HD11 LEU 21 -10.179 3.352 0.181 89 HD12 LEU 21 HD12 LEU 21 -11.777 4.096 0.215 90 HD13 LEU 21 HD13 LEU 21 -10.328 5.105 0.259 91 HD21 LEU 21 HD21 LEU 21 -10.665 2.929 -3.296 92 HD22 LEU 21 HD22 LEU 21 -12.103 2.749 -2.298 93 HD23 LEU 21 HD23 LEU 21 -10.546 2.148 -1.720 94 H THR 22 HN THR 22 -9.446 8.042 -3.049 95 HA THR 22 HA THR 22 -10.993 9.278 -5.109 96 HB THR 22 HB THR 22 -8.745 9.944 -6.010 97 HG1 THR 22 HG1 THR 22 -7.024 9.493 -4.314 98 HG21 THR 22 HG21 THR 22 -9.241 10.473 -3.075 99 HG22 THR 22 HG22 THR 22 -9.923 11.377 -4.427 100 HG23 THR 22 HG23 THR 22 -8.187 11.428 -4.121 101 H ASP 23 HN ASP 23 -10.008 8.967 -7.468 102 HA ASP 23 HA ASP 23 -10.868 6.453 -8.298 103 HB2 ASP 23 HB2 ASP 23 -10.863 8.347 -9.811 104 HB3 ASP 23 HB1 ASP 23 -9.109 8.455 -9.730 105 H GLU 24 HN GLU 24 -7.600 7.612 -7.630 106 HA GLU 24 HA GLU 24 -6.268 5.320 -8.627 107 HB2 GLU 24 HB2 GLU 24 -5.428 7.474 -6.697 108 HB3 GLU 24 HB1 GLU 24 -4.354 6.174 -7.194 109 HG2 GLU 24 HG2 GLU 24 -5.698 8.052 -9.115 110 HG3 GLU 24 HG1 GLU 24 -4.086 8.316 -8.448 111 H GLU 25 HN GLU 25 -7.392 6.204 -5.364 112 HA GLU 25 HA GLU 25 -6.375 3.916 -4.048 113 HB2 GLU 25 HB2 GLU 25 -8.889 5.435 -3.350 114 HB3 GLU 25 HB1 GLU 25 -7.989 4.365 -2.296 115 HG2 GLU 25 HG2 GLU 25 -6.869 6.907 -3.426 116 HG3 GLU 25 HG1 GLU 25 -7.666 6.779 -1.855 117 H TYR 26 HN TYR 26 -9.496 4.628 -5.527 118 HA TYR 26 HA TYR 26 -10.711 2.166 -4.898 119 HB2 TYR 26 HB2 TYR 26 -11.941 4.230 -5.564 120 HB3 TYR 26 HB1 TYR 26 -11.354 3.993 -7.202 121 HD1 TYR 26 HD2 TYR 26 -13.306 2.288 -4.533 122 HD2 TYR 26 HD1 TYR 26 -12.548 2.664 -8.698 123 HE1 TYR 26 HE2 TYR 26 -15.175 0.777 -5.005 124 HE2 TYR 26 HE1 TYR 26 -14.406 1.154 -9.182 125 HH TYR 26 HH TYR 26 -16.728 0.270 -6.879 126 H ASP 27 HN ASP 27 -8.841 3.249 -7.669 127 HA ASP 27 HA ASP 27 -9.283 0.998 -9.295 128 HB2 ASP 27 HB2 ASP 27 -8.265 3.145 -10.077 129 HB3 ASP 27 HB1 ASP 27 -6.810 2.747 -9.175 130 H GLU 28 HN GLU 28 -6.768 1.727 -6.901 131 HA GLU 28 HA GLU 28 -5.311 -0.663 -7.126 132 HB2 GLU 28 HB2 GLU 28 -4.654 1.441 -5.893 133 HB3 GLU 28 HB1 GLU 28 -5.769 0.964 -4.623 134 HG2 GLU 28 HG2 GLU 28 -3.641 0.305 -3.925 135 HG3 GLU 28 HG1 GLU 28 -4.466 -1.165 -4.426 136 H PHE 29 HN PHE 29 -7.999 0.302 -5.076 137 HA PHE 29 HA PHE 29 -8.376 -2.039 -3.613 138 HB2 PHE 29 HB2 PHE 29 -9.517 -0.034 -2.987 139 HB3 PHE 29 HB1 PHE 29 -10.289 0.100 -4.561 140 HD1 PHE 29 HD1 PHE 29 -10.014 -2.700 -2.120 141 HD2 PHE 29 HD2 PHE 29 -12.549 -0.086 -4.310 142 HE1 PHE 29 HE1 PHE 29 -11.973 -3.871 -1.232 143 HE2 PHE 29 HE2 PHE 29 -14.522 -1.262 -3.431 144 HZ PHE 29 HZ PHE 29 -14.227 -3.154 -1.882 145 H LYS 30 HN LYS 30 -9.660 -1.131 -6.812 146 HA LYS 30 HA LYS 30 -11.277 -3.407 -7.171 147 HB2 LYS 30 HB2 LYS 30 -9.789 -1.810 -9.273 148 HB3 LYS 30 HB1 LYS 30 -11.071 -2.962 -9.603 149 HG2 LYS 30 HG2 LYS 30 -12.590 -1.515 -8.236 150 HG3 LYS 30 HG1 LYS 30 -11.295 -0.324 -8.186 151 HD2 LYS 30 HD2 LYS 30 -12.426 -1.450 -10.741 152 HD3 LYS 30 HD1 LYS 30 -13.007 0.036 -9.990 153 HE2 LYS 30 HE2 LYS 30 -10.877 1.079 -10.246 154 HE3 LYS 30 HE1 LYS 30 -10.140 -0.431 -10.779 155 HZ1 LYS 30 HZ1 LYS 30 -10.600 1.034 -12.636 156 HZ2 LYS 30 HZ2 LYS 30 -12.237 1.084 -12.226 157 HZ3 LYS 30 HZ3 LYS 30 -11.541 -0.365 -12.745 158 H LYS 31 HN LYS 31 -7.953 -2.748 -8.212 159 HA LYS 31 HA LYS 31 -7.360 -5.188 -9.386 160 HB2 LYS 31 HB2 LYS 31 -5.564 -3.342 -7.818 161 HB3 LYS 31 HB1 LYS 31 -5.002 -4.648 -8.853 162 HG2 LYS 31 HG2 LYS 31 -5.657 -3.563 -10.795 163 HG3 LYS 31 HG1 LYS 31 -6.769 -2.494 -9.938 164 HD2 LYS 31 HD2 LYS 31 -4.753 -1.310 -10.666 165 HD3 LYS 31 HD1 LYS 31 -4.895 -1.340 -8.910 166 HE2 LYS 31 HE2 LYS 31 -3.392 -3.405 -9.009 167 HE3 LYS 31 HE1 LYS 31 -3.049 -2.921 -10.669 168 HZ1 LYS 31 HZ1 LYS 31 -1.386 -2.041 -9.197 169 HZ2 LYS 31 HZ2 LYS 31 -2.559 -1.301 -8.227 170 HZ3 LYS 31 HZ3 LYS 31 -2.303 -0.761 -9.816 171 H ARG 32 HN ARG 32 -6.994 -4.157 -6.039 172 HA ARG 32 HA ARG 32 -5.982 -6.568 -5.028 173 HB2 ARG 32 HB2 ARG 32 -7.432 -4.285 -3.755 174 HB3 ARG 32 HB1 ARG 32 -6.846 -5.640 -2.821 175 HG2 ARG 32 HG2 ARG 32 -4.571 -5.182 -3.614 176 HG3 ARG 32 HG1 ARG 32 -5.181 -3.790 -4.507 177 HD2 ARG 32 HD2 ARG 32 -5.979 -2.834 -2.364 178 HD3 ARG 32 HD1 ARG 32 -5.224 -4.186 -1.520 179 HE ARG 32 HE ARG 32 -3.231 -3.098 -3.056 180 HH11 ARG 32 HH11 ARG 32 -5.296 -2.042 -0.452 181 HH12 ARG 32 HH12 ARG 32 -4.266 -0.726 0.029 182 HH21 ARG 32 HH21 ARG 32 -1.838 -1.381 -2.418 183 HH22 ARG 32 HH22 ARG 32 -2.310 -0.346 -1.103 184 H ARG 33 HN ARG 33 -9.290 -5.328 -5.242 185 HA ARG 33 HA ARG 33 -10.514 -7.494 -3.928 186 HB2 ARG 33 HB2 ARG 33 -11.692 -5.424 -4.145 187 HB3 ARG 33 HB1 ARG 33 -11.599 -5.487 -5.895 188 HG2 ARG 33 HG2 ARG 33 -13.228 -7.126 -6.047 189 HG3 ARG 33 HG1 ARG 33 -13.027 -7.629 -4.369 190 HD2 ARG 33 HD2 ARG 33 -14.055 -5.646 -3.568 191 HD3 ARG 33 HD1 ARG 33 -14.073 -4.919 -5.170 192 HE ARG 33 HE ARG 33 -15.669 -6.783 -5.759 193 HH11 ARG 33 HH11 ARG 33 -15.335 -5.662 -2.453 194 HH12 ARG 33 HH12 ARG 33 -16.976 -6.033 -2.029 195 HH21 ARG 33 HH21 ARG 33 -17.823 -7.271 -5.200 196 HH22 ARG 33 HH22 ARG 33 -18.395 -6.945 -3.595 197 H GLU 34 HN GLU 34 -9.883 -6.893 -7.359 198 HA GLU 34 HA GLU 34 -11.034 -9.268 -8.335 199 HB2 GLU 34 HB2 GLU 34 -10.390 -7.426 -9.802 200 HB3 GLU 34 HB1 GLU 34 -8.696 -7.673 -9.402 201 HG2 GLU 34 HG2 GLU 34 -8.780 -9.889 -10.432 202 HG3 GLU 34 HG1 GLU 34 -10.473 -9.625 -10.846 203 H SER 35 HN SER 35 -7.812 -8.539 -7.107 204 HA SER 35 HA SER 35 -6.598 -11.016 -7.612 205 HB2 SER 35 HB2 SER 35 -5.331 -9.012 -6.972 206 HB3 SER 35 HB1 SER 35 -6.078 -9.036 -5.377 207 HG SER 35 HG SER 35 -4.274 -10.924 -6.489 208 H ARG 36 HN ARG 36 -8.811 -9.974 -5.133 209 HA ARG 36 HA ARG 36 -8.505 -12.483 -3.671 210 HB2 ARG 36 HB2 ARG 36 -9.868 -9.886 -3.109 211 HB3 ARG 36 HB1 ARG 36 -10.410 -11.322 -2.263 212 HG2 ARG 36 HG2 ARG 36 -8.860 -10.729 -0.755 213 HG3 ARG 36 HG1 ARG 36 -7.727 -11.478 -1.883 214 HD2 ARG 36 HD2 ARG 36 -7.459 -9.232 -2.958 215 HD3 ARG 36 HD1 ARG 36 -8.439 -8.565 -1.662 216 HE ARG 36 HE ARG 36 -6.607 -9.624 -0.181 217 HH11 ARG 36 HH11 ARG 36 -6.092 -8.165 -3.316 218 HH12 ARG 36 HH12 ARG 36 -4.484 -7.624 -2.946 219 HH21 ARG 36 HH21 ARG 36 -4.493 -8.911 0.316 220 HH22 ARG 36 HH22 ARG 36 -3.578 -8.049 -0.883 221 H GLY 37 HN GLY 37 -9.815 -11.989 -6.434 222 HA2 GLY 37 HA2 GLY 37 -11.453 -13.059 -7.633 223 HA3 GLY 37 HA1 GLY 37 -11.707 -14.077 -6.225 224 H GLY 38 HN GLY 38 -12.036 -10.621 -5.992 225 HA2 GLY 38 HA2 GLY 38 -13.986 -9.311 -6.049 226 HA3 GLY 38 HA1 GLY 38 -14.941 -10.770 -6.237 227 H LYS 39 HN LYS 39 -13.136 -11.813 -3.926 228 HA LYS 39 HA LYS 39 -15.011 -11.036 -1.862 229 HB2 LYS 39 HB2 LYS 39 -12.730 -12.996 -1.768 230 HB3 LYS 39 HB1 LYS 39 -13.956 -12.773 -0.525 231 HG2 LYS 39 HG2 LYS 39 -15.585 -13.245 -2.535 232 HG3 LYS 39 HG1 LYS 39 -14.163 -14.064 -3.179 233 HD2 LYS 39 HD2 LYS 39 -13.989 -15.324 -1.059 234 HD3 LYS 39 HD1 LYS 39 -15.488 -14.560 -0.531 235 HE2 LYS 39 HE2 LYS 39 -16.654 -15.553 -2.447 236 HE3 LYS 39 HE1 LYS 39 -15.156 -16.335 -2.947 237 HZ1 LYS 39 HZ1 LYS 39 -16.467 -17.900 -1.750 238 HZ2 LYS 39 HZ2 LYS 39 -16.687 -16.836 -0.460 239 HZ3 LYS 39 HZ3 LYS 39 -15.157 -17.482 -0.768 240 H TYR 40 HN TYR 40 -14.128 -8.793 -1.996 241 HA TYR 40 HA TYR 40 -12.120 -8.400 0.062 242 HB2 TYR 40 HB2 TYR 40 -10.954 -8.590 -2.208 243 HB3 TYR 40 HB1 TYR 40 -11.741 -7.069 -2.607 244 HD1 TYR 40 HD1 TYR 40 -9.938 -8.394 0.376 245 HD2 TYR 40 HD2 TYR 40 -10.272 -5.285 -2.512 246 HE1 TYR 40 HE1 TYR 40 -8.089 -7.205 1.456 247 HE2 TYR 40 HE2 TYR 40 -8.420 -4.078 -1.424 248 HH TYR 40 HH TYR 40 -7.317 -3.986 0.785 249 H SER 41 HN SER 41 -13.349 -7.126 1.361 250 HA SER 41 HA SER 41 -15.198 -5.231 0.230 251 HB2 SER 41 HB2 SER 41 -14.732 -4.795 2.992 252 HB3 SER 41 HB1 SER 41 -16.188 -5.363 2.208 253 HG SER 41 HG SER 41 -14.062 -6.853 3.315 254 H ILE 42 HN ILE 42 -15.191 -2.953 0.960 255 HA ILE 42 HA ILE 42 -12.738 -1.701 0.373 256 HB ILE 42 HB ILE 42 -15.069 -0.711 0.170 257 HG12 ILE 42 HG12 ILE 42 -13.882 1.539 1.298 258 HG13 ILE 42 HG11 ILE 42 -12.532 0.493 0.876 259 HG21 ILE 42 HG21 ILE 42 -14.566 -0.011 3.058 260 HG22 ILE 42 HG22 ILE 42 -15.775 -1.169 2.485 261 HG23 ILE 42 HG23 ILE 42 -15.922 0.539 2.065 262 HD11 ILE 42 HD11 ILE 42 -13.063 2.069 -0.881 263 HD12 ILE 42 HD12 ILE 42 -14.686 1.389 -1.008 264 HD13 ILE 42 HD13 ILE 42 -13.277 0.401 -1.408 265 H ASP 43 HN ASP 43 -14.280 -2.665 3.368 266 HA ASP 43 HA ASP 43 -12.681 -1.193 5.140 267 HB2 ASP 43 HB2 ASP 43 -14.084 -3.832 5.490 268 HB3 ASP 43 HB1 ASP 43 -13.350 -2.944 6.809 269 H ASP 44 HN ASP 44 -12.263 -4.340 3.643 270 HA ASP 44 HA ASP 44 -9.873 -5.052 4.964 271 HB2 ASP 44 HB2 ASP 44 -11.008 -5.851 2.279 272 HB3 ASP 44 HB1 ASP 44 -9.538 -6.545 2.938 273 H TYR 45 HN TYR 45 -10.592 -3.119 2.126 274 HA TYR 45 HA TYR 45 -7.859 -2.640 1.442 275 HB2 TYR 45 HB2 TYR 45 -9.529 -2.341 -0.273 276 HB3 TYR 45 HB1 TYR 45 -10.402 -1.156 0.700 277 HD1 TYR 45 HD2 TYR 45 -7.284 -1.778 -1.180 278 HD2 TYR 45 HD1 TYR 45 -9.749 1.146 0.681 279 HE1 TYR 45 HE2 TYR 45 -5.913 -0.004 -2.183 280 HE2 TYR 45 HE1 TYR 45 -8.364 2.942 -0.319 281 HH TYR 45 HH TYR 45 -6.141 3.276 -1.223 282 H LEU 46 HN LEU 46 -10.294 -0.982 3.322 283 HA LEU 46 HA LEU 46 -8.883 1.413 3.741 284 HB2 LEU 46 HB2 LEU 46 -11.175 0.115 5.203 285 HB3 LEU 46 HB1 LEU 46 -10.597 1.717 5.575 286 HG LEU 46 HG LEU 46 -11.700 0.887 2.894 287 HD11 LEU 46 HD11 LEU 46 -12.949 2.531 5.091 288 HD12 LEU 46 HD12 LEU 46 -13.420 0.896 4.632 289 HD13 LEU 46 HD13 LEU 46 -13.638 2.228 3.498 290 HD21 LEU 46 HD21 LEU 46 -10.085 2.678 2.710 291 HD22 LEU 46 HD22 LEU 46 -10.893 3.569 3.999 292 HD23 LEU 46 HD23 LEU 46 -11.715 3.305 2.463 293 H ALA 47 HN ALA 47 -8.922 -1.631 5.518 294 HA ALA 47 HA ALA 47 -7.462 -0.643 7.778 295 HB1 ALA 47 HB1 ALA 47 -7.710 -3.474 6.757 296 HB2 ALA 47 HB2 ALA 47 -8.821 -2.690 7.881 297 HB3 ALA 47 HB3 ALA 47 -7.149 -2.986 8.356 298 H ASP 48 HN ASP 48 -6.543 -2.234 4.752 299 HA ASP 48 HA ASP 48 -3.744 -2.187 5.343 300 HB2 ASP 48 HB2 ASP 48 -4.920 -3.655 3.602 301 HB3 ASP 48 HB1 ASP 48 -4.977 -2.223 2.580 302 H ARG 49 HN ARG 49 -6.055 -0.051 3.838 303 HA ARG 49 HA ARG 49 -4.336 1.902 2.809 304 HB2 ARG 49 HB2 ARG 49 -6.799 1.698 2.385 305 HB3 ARG 49 HB1 ARG 49 -7.066 2.380 3.984 306 HG2 ARG 49 HG2 ARG 49 -5.949 4.411 3.342 307 HG3 ARG 49 HG1 ARG 49 -5.576 3.738 1.755 308 HD2 ARG 49 HD2 ARG 49 -8.004 3.522 1.356 309 HD3 ARG 49 HD1 ARG 49 -8.305 4.353 2.874 310 HE ARG 49 HE ARG 49 -7.092 5.525 0.459 311 HH11 ARG 49 HH11 ARG 49 -8.311 5.932 3.719 312 HH12 ARG 49 HH12 ARG 49 -8.620 7.629 3.534 313 HH21 ARG 49 HH21 ARG 49 -7.477 7.776 0.223 314 HH22 ARG 49 HH22 ARG 49 -8.145 8.678 1.546 315 H GLU 50 HN GLU 50 -5.731 1.445 6.014 316 HA GLU 50 HA GLU 50 -4.842 3.700 7.356 317 HB2 GLU 50 HB2 GLU 50 -5.034 0.826 8.282 318 HB3 GLU 50 HB1 GLU 50 -4.698 2.171 9.365 319 HG2 GLU 50 HG2 GLU 50 -7.164 1.911 7.673 320 HG3 GLU 50 HG1 GLU 50 -7.049 1.418 9.361 321 H ARG 51 HN ARG 51 -3.127 0.862 6.325 322 HA ARG 51 HA ARG 51 -0.674 1.590 7.654 323 HB2 ARG 51 HB2 ARG 51 -1.338 -0.615 5.732 324 HB3 ARG 51 HB1 ARG 51 0.224 -0.405 6.523 325 HG2 ARG 51 HG2 ARG 51 -1.265 -0.389 8.692 326 HG3 ARG 51 HG1 ARG 51 -2.371 -1.286 7.645 327 HD2 ARG 51 HD2 ARG 51 -0.490 -2.786 7.072 328 HD3 ARG 51 HD1 ARG 51 0.485 -1.936 8.263 329 HE ARG 51 HE ARG 51 -1.371 -2.697 9.868 330 HH11 ARG 51 HH11 ARG 51 -0.289 -4.503 7.077 331 HH12 ARG 51 HH12 ARG 51 -0.623 -6.052 7.781 332 HH21 ARG 51 HH21 ARG 51 -1.834 -4.743 10.806 333 HH22 ARG 51 HH22 ARG 51 -1.508 -6.188 9.907 334 H GLU 52 HN GLU 52 -2.028 1.574 4.430 335 HA GLU 52 HA GLU 52 0.236 2.007 2.905 336 HB2 GLU 52 HB2 GLU 52 -2.549 3.045 2.427 337 HB3 GLU 52 HB1 GLU 52 -1.264 3.024 1.229 338 HG2 GLU 52 HG2 GLU 52 -1.166 0.578 1.419 339 HG3 GLU 52 HG1 GLU 52 -2.514 0.635 2.550 340 H GLU 53 HN GLU 53 -1.793 4.409 4.544 341 HA GLU 53 HA GLU 53 -0.683 6.650 3.289 342 HB2 GLU 53 HB2 GLU 53 -1.579 7.924 5.266 343 HB3 GLU 53 HB1 GLU 53 -2.742 6.935 4.399 344 HG2 GLU 53 HG2 GLU 53 -2.526 5.202 6.126 345 HG3 GLU 53 HG1 GLU 53 -1.410 6.247 7.008 346 H GLU 54 HN GLU 54 0.443 4.855 6.100 347 HA GLU 54 HA GLU 54 2.553 6.795 6.567 348 HB2 GLU 54 HB2 GLU 54 3.228 5.401 8.426 349 HB3 GLU 54 HB1 GLU 54 1.491 5.650 8.486 350 HG2 GLU 54 HG2 GLU 54 1.118 3.437 7.578 351 HG3 GLU 54 HG1 GLU 54 2.855 3.189 7.425 352 H LEU 55 HN LEU 55 2.020 4.058 4.674 353 HA LEU 55 HA LEU 55 4.831 3.311 4.494 354 HB2 LEU 55 HB2 LEU 55 2.382 2.181 3.137 355 HB3 LEU 55 HB1 LEU 55 4.006 1.544 2.958 356 HG LEU 55 HG LEU 55 2.425 1.625 5.531 357 HD11 LEU 55 HD11 LEU 55 3.174 -0.689 3.753 358 HD12 LEU 55 HD12 LEU 55 1.560 -0.002 3.936 359 HD13 LEU 55 HD13 LEU 55 2.339 -0.799 5.302 360 HD21 LEU 55 HD21 LEU 55 4.259 0.223 6.403 361 HD22 LEU 55 HD22 LEU 55 4.777 1.855 5.988 362 HD23 LEU 55 HD23 LEU 55 5.156 0.509 4.912 363 H LEU 56 HN LEU 56 2.702 5.436 2.967 364 HA LEU 56 HA LEU 56 3.532 5.309 0.292 365 HB2 LEU 56 HB2 LEU 56 2.539 7.662 1.899 366 HB3 LEU 56 HB1 LEU 56 2.746 7.676 0.158 367 HG LEU 56 HG LEU 56 0.852 5.879 1.673 368 HD11 LEU 56 HD11 LEU 56 0.318 8.313 -0.021 369 HD12 LEU 56 HD12 LEU 56 0.165 8.214 1.733 370 HD13 LEU 56 HD13 LEU 56 -0.901 7.263 0.700 371 HD21 LEU 56 HD21 LEU 56 -0.035 5.344 -0.558 372 HD22 LEU 56 HD22 LEU 56 1.640 4.830 -0.368 373 HD23 LEU 56 HD23 LEU 56 1.265 6.286 -1.288 374 H GLU 57 HN GLU 57 4.626 7.492 2.880 375 HA GLU 57 HA GLU 57 7.140 7.761 1.400 376 HB2 GLU 57 HB2 GLU 57 7.436 9.817 2.933 377 HB3 GLU 57 HB1 GLU 57 6.357 9.935 1.554 378 HG2 GLU 57 HG2 GLU 57 5.182 10.978 3.243 379 HG3 GLU 57 HG1 GLU 57 4.495 9.358 3.226 380 H ARG 58 HN ARG 58 9.016 7.231 2.359 381 HA ARG 58 HA ARG 58 9.171 6.713 5.180 382 HB2 ARG 58 HB2 ARG 58 9.828 4.310 4.869 383 HB3 ARG 58 HB1 ARG 58 8.128 4.645 4.576 384 HG2 ARG 58 HG2 ARG 58 8.674 4.745 2.128 385 HG3 ARG 58 HG1 ARG 58 10.279 4.141 2.539 386 HD2 ARG 58 HD2 ARG 58 7.669 2.756 3.145 387 HD3 ARG 58 HD1 ARG 58 8.763 2.347 1.828 388 HE ARG 58 HE ARG 58 9.730 2.221 4.600 389 HH11 ARG 58 HH11 ARG 58 8.870 0.586 1.616 390 HH12 ARG 58 HH12 ARG 58 9.621 -0.907 2.077 391 HH21 ARG 58 HH21 ARG 58 10.701 0.270 5.203 392 HH22 ARG 58 HH22 ARG 58 10.676 -1.090 4.116 393 H ASP 59 HN ASP 59 11.047 7.252 5.828 394 HA ASP 59 HA ASP 59 13.099 8.249 4.239 395 HB2 ASP 59 HB2 ASP 59 13.341 7.117 7.031 396 HB3 ASP 59 HB1 ASP 59 14.424 8.286 6.280 397 H GLU 60 HN GLU 60 12.376 5.038 5.205 398 HA GLU 60 HA GLU 60 14.905 3.823 5.153 399 HB2 GLU 60 HB2 GLU 60 12.279 2.513 4.451 400 HB3 GLU 60 HB1 GLU 60 13.711 1.748 5.127 401 HG2 GLU 60 HG2 GLU 60 13.392 2.813 7.225 402 HG3 GLU 60 HG1 GLU 60 12.130 3.856 6.570 403 H GLU 61 HN GLU 61 12.555 4.454 2.606 404 HA GLU 61 HA GLU 61 13.803 2.687 0.718 405 HB2 GLU 61 HB2 GLU 61 11.371 3.172 0.720 406 HB3 GLU 61 HB1 GLU 61 11.722 4.832 0.267 407 HG2 GLU 61 HG2 GLU 61 12.767 3.999 -1.812 408 HG3 GLU 61 HG1 GLU 61 12.274 2.366 -1.363 409 H GLU 62 HN GLU 62 14.348 5.834 1.780 410 HA GLU 62 HA GLU 62 15.837 7.444 1.257 411 HB2 GLU 62 HB2 GLU 62 17.374 5.522 0.786 412 HB3 GLU 62 HB1 GLU 62 16.884 5.608 -0.901 413 HG2 GLU 62 HG2 GLU 62 17.695 7.951 -0.958 414 HG3 GLU 62 HG1 GLU 62 18.302 7.738 0.681 415 H ALA 63 HN ALA 63 16.116 9.179 -0.143 416 HA ALA 63 HA ALA 63 15.736 10.609 -1.858 417 HB1 ALA 63 HB1 ALA 63 16.094 8.765 -3.419 418 HB2 ALA 63 HB2 ALA 63 14.853 9.880 -3.990 419 HB3 ALA 63 HB3 ALA 63 14.391 8.329 -3.289 420 H ILE 64 HN ILE 64 13.721 9.669 0.296 421 HA ILE 64 HA ILE 64 11.473 11.239 -0.766 422 HB ILE 64 HB ILE 64 11.474 9.529 1.722 423 HG12 ILE 64 HG12 ILE 64 9.774 8.223 0.199 424 HG13 ILE 64 HG11 ILE 64 10.703 8.946 -1.107 425 HG21 ILE 64 HG21 ILE 64 9.918 11.390 1.813 426 HG22 ILE 64 HG22 ILE 64 9.052 9.861 1.662 427 HG23 ILE 64 HG23 ILE 64 9.232 10.914 0.259 428 HD11 ILE 64 HD11 ILE 64 11.542 6.746 -0.617 429 HD12 ILE 64 HD12 ILE 64 11.771 7.179 1.077 430 HD13 ILE 64 HD13 ILE 64 12.749 7.959 -0.171 431 H PHE 65 HN PHE 65 13.247 10.654 2.206 432 HA PHE 65 HA PHE 65 12.737 13.148 3.398 433 HB2 PHE 65 HB2 PHE 65 14.605 12.550 4.928 434 HB3 PHE 65 HB1 PHE 65 13.402 11.281 4.763 435 HD1 PHE 65 HD2 PHE 65 15.109 10.943 1.823 436 HD2 PHE 65 HD1 PHE 65 15.710 10.471 6.006 437 HE1 PHE 65 HE2 PHE 65 16.887 9.304 1.383 438 HE2 PHE 65 HE1 PHE 65 17.485 8.828 5.571 439 HZ PHE 65 HZ PHE 65 18.076 8.242 3.256 440 H GLY 66 HN GLY 66 14.432 14.796 3.886 441 HA2 GLY 66 HA2 GLY 66 15.375 15.663 1.276 442 HA3 GLY 66 HA1 GLY 66 15.205 16.659 2.710 443 H ASP 67 HN ASP 67 16.825 13.993 3.721 444 HA ASP 67 HA ASP 67 19.456 14.922 2.840 445 HB2 ASP 67 HB2 ASP 67 19.021 16.091 4.956 446 HB3 ASP 67 HB1 ASP 67 18.687 14.554 5.745 447 H GLY 68 HN GLY 68 20.654 13.264 2.216 448 HA2 GLY 68 HA2 GLY 68 21.817 11.250 2.705 449 HA3 GLY 68 HA1 GLY 68 20.461 10.742 3.698 450 H PHE 69 HN PHE 69 20.328 11.992 0.372 451 HA PHE 69 HA PHE 69 19.485 9.302 -0.472 452 HB2 PHE 69 HB2 PHE 69 17.818 10.320 -1.986 453 HB3 PHE 69 HB1 PHE 69 17.453 10.622 -0.293 454 HD1 PHE 69 HD2 PHE 69 17.886 12.899 0.651 455 HD2 PHE 69 HD1 PHE 69 18.192 12.069 -3.512 456 HE1 PHE 69 HE2 PHE 69 17.733 15.305 0.160 457 HE2 PHE 69 HE1 PHE 69 18.038 14.471 -4.008 458 HZ PHE 69 HZ PHE 69 17.807 16.093 -2.170 459 H GLY 70 HN GLY 70 20.467 8.514 -2.190 460 HA2 GLY 70 HA2 GLY 70 21.914 10.408 -3.950 461 HA3 GLY 70 HA1 GLY 70 22.543 8.822 -3.522 462 H LEU 71 HN LEU 71 19.489 8.067 -3.741 463 HA LEU 71 HA LEU 71 19.611 6.868 -6.276 464 HB2 LEU 71 HB2 LEU 71 17.184 7.519 -4.604 465 HB3 LEU 71 HB1 LEU 71 17.210 6.412 -5.962 466 HG LEU 71 HG LEU 71 18.708 6.050 -3.364 467 HD11 LEU 71 HD11 LEU 71 16.291 4.634 -4.478 468 HD12 LEU 71 HD12 LEU 71 16.306 5.758 -3.118 469 HD13 LEU 71 HD13 LEU 71 17.144 4.211 -2.994 470 HD21 LEU 71 HD21 LEU 71 18.480 4.252 -5.779 471 HD22 LEU 71 HD22 LEU 71 19.213 3.807 -4.239 472 HD23 LEU 71 HD23 LEU 71 19.935 5.080 -5.222 473 H LYS 72 HN LYS 72 17.729 9.690 -5.191 474 HA LYS 72 HA LYS 72 17.403 10.475 -8.007 475 HB2 LYS 72 HB2 LYS 72 15.903 11.498 -5.588 476 HB3 LYS 72 HB1 LYS 72 15.562 11.890 -7.262 477 HG2 LYS 72 HG2 LYS 72 14.953 9.536 -7.665 478 HG3 LYS 72 HG1 LYS 72 15.238 9.195 -5.955 479 HD2 LYS 72 HD2 LYS 72 13.552 11.036 -5.461 480 HD3 LYS 72 HD1 LYS 72 13.139 10.979 -7.175 481 HE2 LYS 72 HE2 LYS 72 12.941 8.697 -5.211 482 HE3 LYS 72 HE1 LYS 72 11.597 9.631 -5.860 483 HZ1 LYS 72 HZ1 LYS 72 12.214 8.821 -8.084 484 HZ2 LYS 72 HZ2 LYS 72 11.781 7.572 -7.032 485 HZ3 LYS 72 HZ3 LYS 72 13.410 7.846 -7.387 486 H ALA 73 HN ALA 73 19.838 11.030 -7.460 487 HA ALA 73 HA ALA 73 20.210 13.457 -5.958 488 HB1 ALA 73 HB1 ALA 73 21.929 11.709 -5.975 489 HB2 ALA 73 HB2 ALA 73 22.557 13.247 -6.565 490 HB3 ALA 73 HB3 ALA 73 22.162 11.960 -7.705 491 H THR 74 HN THR 74 18.510 14.453 -7.426 492 HA THR 74 HA THR 74 19.341 15.353 -10.010 493 HB THR 74 HB THR 74 17.158 16.438 -8.219 494 HG1 THR 74 HG1 THR 74 17.296 14.265 -10.009 495 HG21 THR 74 HG21 THR 74 17.753 18.000 -9.985 496 HG22 THR 74 HG22 THR 74 16.187 17.267 -10.334 497 HG23 THR 74 HG23 THR 74 17.627 16.720 -11.189 498 H ARG 75 HN ARG 75 20.931 16.775 -10.276 499 HA ARG 75 HA ARG 75 21.875 18.429 -8.158 500 HB2 ARG 75 HB2 ARG 75 22.530 18.511 -11.108 501 HB3 ARG 75 HB1 ARG 75 23.404 19.369 -9.849 502 HG2 ARG 75 HG2 ARG 75 23.180 16.383 -10.146 503 HG3 ARG 75 HG1 ARG 75 24.595 17.375 -10.504 504 HD2 ARG 75 HD2 ARG 75 24.654 18.062 -8.122 505 HD3 ARG 75 HD1 ARG 75 23.320 16.954 -7.804 506 HE ARG 75 HE ARG 75 25.530 15.671 -9.084 507 HH11 ARG 75 HH11 ARG 75 24.285 16.730 -5.995 508 HH12 ARG 75 HH12 ARG 75 25.244 15.615 -5.079 509 HH21 ARG 75 HH21 ARG 75 26.794 14.200 -7.892 510 HH22 ARG 75 HH22 ARG 75 26.669 14.164 -6.161 511 H ARG 76 HN ARG 76 20.389 19.872 -7.462 512 HA ARG 76 HA ARG 76 19.119 21.663 -9.375 513 HB2 ARG 76 HB2 ARG 76 18.908 21.480 -6.363 514 HB3 ARG 76 HB1 ARG 76 18.011 22.618 -7.358 515 HG2 ARG 76 HG2 ARG 76 16.903 20.763 -8.491 516 HG3 ARG 76 HG1 ARG 76 17.809 19.616 -7.501 517 HD2 ARG 76 HD2 ARG 76 16.769 20.489 -5.493 518 HD3 ARG 76 HD1 ARG 76 15.929 21.719 -6.433 519 HE ARG 76 HE ARG 76 15.305 19.113 -7.373 520 HH11 ARG 76 HH11 ARG 76 14.627 21.359 -4.782 521 HH12 ARG 76 HH12 ARG 76 13.051 20.718 -4.461 522 HH21 ARG 76 HH21 ARG 76 13.220 18.253 -6.951 523 HH22 ARG 76 HH22 ARG 76 12.246 18.948 -5.697 524 H SER 77 HN SER 77 21.997 21.643 -9.007 525 HA SER 77 HA SER 77 22.846 23.875 -7.501 526 HB2 SER 77 HB2 SER 77 24.901 23.640 -9.054 527 HB3 SER 77 HB1 SER 77 24.512 22.288 -7.993 528 HG SER 77 HG SER 77 24.632 22.344 -10.679 529 H ARG 78 HN ARG 78 22.364 23.405 -10.985 530 HA ARG 78 HA ARG 78 21.866 24.805 -12.688 531 HB2 ARG 78 HB2 ARG 78 20.746 26.542 -10.488 532 HB3 ARG 78 HB1 ARG 78 20.409 26.723 -12.205 533 HG2 ARG 78 HG2 ARG 78 19.224 24.692 -12.290 534 HG3 ARG 78 HG1 ARG 78 19.817 24.196 -10.704 535 HD2 ARG 78 HD2 ARG 78 18.572 26.064 -9.688 536 HD3 ARG 78 HD1 ARG 78 17.932 26.473 -11.280 537 HE ARG 78 HE ARG 78 17.110 24.013 -11.169 538 HH11 ARG 78 HH11 ARG 78 17.208 26.294 -8.515 539 HH12 ARG 78 HH12 ARG 78 15.870 25.567 -7.682 540 HH21 ARG 78 HH21 ARG 78 15.374 23.042 -10.068 541 HH22 ARG 78 HH22 ARG 78 14.817 23.725 -8.573 542 H LYS 79 HN LYS 79 22.245 27.559 -10.546 543 HA LYS 79 HA LYS 79 24.369 28.567 -12.236 544 HB2 LYS 79 HB2 LYS 79 23.123 29.781 -9.762 545 HB3 LYS 79 HB1 LYS 79 24.193 30.602 -10.890 546 HG2 LYS 79 HG2 LYS 79 22.505 30.255 -12.671 547 HG3 LYS 79 HG1 LYS 79 21.423 29.570 -11.458 548 HD2 LYS 79 HD2 LYS 79 22.559 32.366 -11.450 549 HD3 LYS 79 HD1 LYS 79 20.908 31.919 -11.877 550 HE2 LYS 79 HE2 LYS 79 20.588 31.030 -9.603 551 HE3 LYS 79 HE1 LYS 79 22.217 31.551 -9.185 552 HZ1 LYS 79 HZ1 LYS 79 20.002 33.330 -10.033 553 HZ2 LYS 79 HZ2 LYS 79 21.563 33.829 -9.626 554 HZ3 LYS 79 HZ3 LYS 79 20.562 33.140 -8.449 555 H ALA 80 HN ALA 80 24.058 26.782 -9.370 556 HA ALA 80 HA ALA 80 26.622 27.548 -8.268 557 HB1 ALA 80 HB1 ALA 80 24.777 26.943 -6.778 558 HB2 ALA 80 HB2 ALA 80 26.162 25.874 -6.560 559 HB3 ALA 80 HB3 ALA 80 24.755 25.319 -7.465 560 H GLU 81 HN GLU 81 27.130 26.821 -10.770 561 HA GLU 81 HA GLU 81 28.108 24.053 -10.670 562 HB2 GLU 81 HB2 GLU 81 28.510 24.341 -13.108 563 HB3 GLU 81 HB1 GLU 81 26.822 24.537 -12.655 564 HG2 GLU 81 HG2 GLU 81 26.877 26.841 -12.986 565 HG3 GLU 81 HG1 GLU 81 28.639 26.898 -12.930 566 H ARG 82 HN ARG 82 29.188 26.806 -9.591 567 HA ARG 82 HA ARG 82 31.700 27.078 -10.945 568 HB2 ARG 82 HB2 ARG 82 30.681 29.026 -9.919 569 HB3 ARG 82 HB1 ARG 82 30.699 28.250 -8.345 570 HG2 ARG 82 HG2 ARG 82 33.085 28.348 -8.247 571 HG3 ARG 82 HG1 ARG 82 33.175 28.912 -9.917 572 HD2 ARG 82 HD2 ARG 82 31.856 30.401 -7.649 573 HD3 ARG 82 HD1 ARG 82 33.470 30.734 -8.276 574 HE ARG 82 HE ARG 82 31.423 30.806 -10.292 575 HH11 ARG 82 HH11 ARG 82 33.049 32.667 -7.810 576 HH12 ARG 82 HH12 ARG 82 32.720 34.197 -8.563 577 HH21 ARG 82 HH21 ARG 82 30.975 32.816 -11.275 578 HH22 ARG 82 HH22 ARG 82 31.542 34.280 -10.538 579 H ALA 83 HN ALA 83 30.652 25.852 -7.807 580 HA ALA 83 HA ALA 83 31.464 24.271 -6.409 581 HB1 ALA 83 HB1 ALA 83 33.038 22.606 -7.202 582 HB2 ALA 83 HB2 ALA 83 33.409 23.594 -8.613 583 HB3 ALA 83 HB3 ALA 83 31.798 22.902 -8.419 584 H LYS 84 HN LYS 84 34.323 25.469 -8.135 585 HA LYS 84 HA LYS 84 35.232 27.000 -5.897 586 HB2 LYS 84 HB2 LYS 84 35.931 24.736 -5.193 587 HB3 LYS 84 HB1 LYS 84 36.795 24.537 -6.708 588 HG2 LYS 84 HG2 LYS 84 38.326 25.062 -4.914 589 HG3 LYS 84 HG1 LYS 84 38.291 26.367 -6.098 590 HD2 LYS 84 HD2 LYS 84 36.874 27.695 -4.671 591 HD3 LYS 84 HD1 LYS 84 36.728 26.364 -3.520 592 HE2 LYS 84 HE2 LYS 84 39.087 26.496 -3.016 593 HE3 LYS 84 HE1 LYS 84 39.311 27.740 -4.246 594 HZ1 LYS 84 HZ1 LYS 84 39.187 28.709 -2.050 595 HZ2 LYS 84 HZ2 LYS 84 37.675 28.002 -1.779 596 HZ3 LYS 84 HZ3 LYS 84 37.849 29.191 -2.967 597 H LEU 85 HN LEU 85 36.087 28.751 -6.832 598 HA LEU 85 HA LEU 85 36.933 28.592 -9.611 599 HB2 LEU 85 HB2 LEU 85 35.455 30.438 -8.416 600 HB3 LEU 85 HB1 LEU 85 37.018 31.118 -8.019 601 HG LEU 85 HG LEU 85 36.066 32.168 -10.011 602 HD11 LEU 85 HD11 LEU 85 38.463 30.457 -10.643 603 HD12 LEU 85 HD12 LEU 85 38.482 32.039 -9.864 604 HD13 LEU 85 HD13 LEU 85 37.951 31.888 -11.538 605 HD21 LEU 85 HD21 LEU 85 35.756 30.926 -12.073 606 HD22 LEU 85 HD22 LEU 85 34.730 30.276 -10.794 607 HD23 LEU 85 HD23 LEU 85 36.204 29.428 -11.260 Start of MODEL 15 1 H1 GLY 11 HT1 GLY 11 -18.355 2.936 17.897 2 H2 GLY 11 HT2 GLY 11 -19.400 1.624 18.089 3 H3 GLY 11 HT3 GLY 11 -19.942 3.027 17.317 4 HA2 GLY 11 HA1 GLY 11 -17.899 1.122 16.324 5 HA3 GLY 11 HA2 GLY 11 -19.511 1.366 15.667 6 H ARG 12 HN ARG 12 -19.609 2.609 13.923 7 HA ARG 12 HA ARG 12 -17.978 4.994 13.717 8 HB2 ARG 12 HB2 ARG 12 -16.964 4.433 11.602 9 HB3 ARG 12 HB1 ARG 12 -16.554 3.171 12.756 10 HG2 ARG 12 HG2 ARG 12 -17.778 1.595 11.682 11 HG3 ARG 12 HG1 ARG 12 -18.980 2.756 11.122 12 HD2 ARG 12 HD2 ARG 12 -17.482 3.563 9.430 13 HD3 ARG 12 HD1 ARG 12 -16.186 2.525 10.030 14 HE ARG 12 HE ARG 12 -18.694 1.401 8.961 15 HH11 ARG 12 HH11 ARG 12 -15.195 1.568 9.001 16 HH12 ARG 12 HH12 ARG 12 -14.990 0.243 7.887 17 HH21 ARG 12 HH21 ARG 12 -18.425 -0.332 7.498 18 HH22 ARG 12 HH22 ARG 12 -16.819 -0.834 7.038 19 HA PRO 13 HA PRO 13 -21.443 6.269 11.167 20 HB2 PRO 13 HB2 PRO 13 -19.664 7.555 9.227 21 HB3 PRO 13 HB1 PRO 13 -20.850 8.291 10.306 22 HG2 PRO 13 HG2 PRO 13 -18.191 8.577 10.676 23 HG3 PRO 13 HG1 PRO 13 -19.340 8.526 12.023 24 HD2 PRO 13 HD2 PRO 13 -17.539 6.369 10.988 25 HD3 PRO 13 HD1 PRO 13 -17.938 6.796 12.666 26 H GLY 14 HN GLY 14 -18.853 5.939 8.755 27 HA2 GLY 14 HA2 GLY 14 -18.717 4.669 6.848 28 HA3 GLY 14 HA1 GLY 14 -19.602 3.436 7.735 29 H VAL 15 HN VAL 15 -20.626 6.697 6.798 30 HA VAL 15 HA VAL 15 -23.195 5.832 5.992 31 HB VAL 15 HB VAL 15 -23.542 8.081 5.140 32 HG11 VAL 15 HG11 VAL 15 -21.958 8.057 7.705 33 HG12 VAL 15 HG12 VAL 15 -23.690 7.773 7.536 34 HG13 VAL 15 HG13 VAL 15 -23.018 9.362 7.174 35 HG21 VAL 15 HG21 VAL 15 -21.765 9.738 5.067 36 HG22 VAL 15 HG22 VAL 15 -21.370 8.369 4.026 37 HG23 VAL 15 HG23 VAL 15 -20.595 8.532 5.601 38 H PHE 16 HN PHE 16 -20.174 6.253 4.364 39 HA PHE 16 HA PHE 16 -21.282 4.788 2.096 40 HB2 PHE 16 HB2 PHE 16 -20.872 7.360 1.685 41 HB3 PHE 16 HB1 PHE 16 -19.180 6.877 1.612 42 HD1 PHE 16 HD1 PHE 16 -18.975 4.533 0.112 43 HD2 PHE 16 HD2 PHE 16 -21.811 7.673 -0.362 44 HE1 PHE 16 HE1 PHE 16 -19.276 3.910 -2.251 45 HE2 PHE 16 HE2 PHE 16 -22.117 7.048 -2.718 46 HZ PHE 16 HZ PHE 16 -20.849 5.165 -3.667 47 H ARG 17 HN ARG 17 -20.059 3.026 1.688 48 HA ARG 17 HA ARG 17 -17.734 2.606 3.335 49 HB2 ARG 17 HB2 ARG 17 -19.396 0.894 1.547 50 HB3 ARG 17 HB1 ARG 17 -17.765 0.364 1.926 51 HG2 ARG 17 HG2 ARG 17 -19.332 -0.640 3.461 52 HG3 ARG 17 HG1 ARG 17 -18.294 0.491 4.327 53 HD2 ARG 17 HD2 ARG 17 -20.556 0.761 5.099 54 HD3 ARG 17 HD1 ARG 17 -20.097 2.189 4.174 55 HE ARG 17 HE ARG 17 -21.313 0.463 2.390 56 HH11 ARG 17 HH11 ARG 17 -22.231 2.256 5.269 57 HH12 ARG 17 HH12 ARG 17 -23.912 2.306 4.838 58 HH21 ARG 17 HH21 ARG 17 -23.514 0.554 1.835 59 HH22 ARG 17 HH22 ARG 17 -24.639 1.343 2.892 60 H THR 18 HN THR 18 -16.706 4.463 2.248 61 HA THR 18 HA THR 18 -14.909 3.443 0.168 62 HB THR 18 HB THR 18 -14.922 5.907 -0.687 63 HG1 THR 18 HG1 THR 18 -17.255 6.633 -0.492 64 HG21 THR 18 HG21 THR 18 -16.694 5.374 -2.307 65 HG22 THR 18 HG22 THR 18 -17.195 4.015 -1.298 66 HG23 THR 18 HG23 THR 18 -15.601 4.013 -2.056 67 H ARG 19 HN ARG 19 -15.550 6.113 2.444 68 HA ARG 19 HA ARG 19 -14.200 7.298 3.832 69 HB2 ARG 19 HB2 ARG 19 -13.346 5.072 4.550 70 HB3 ARG 19 HB1 ARG 19 -12.112 5.174 3.305 71 HG2 ARG 19 HG2 ARG 19 -11.209 7.190 4.407 72 HG3 ARG 19 HG1 ARG 19 -12.409 6.995 5.684 73 HD2 ARG 19 HD2 ARG 19 -10.260 5.006 4.941 74 HD3 ARG 19 HD1 ARG 19 -10.250 6.070 6.351 75 HE ARG 19 HE ARG 19 -12.607 4.613 6.469 76 HH11 ARG 19 HH11 ARG 19 -9.170 3.944 6.566 77 HH12 ARG 19 HH12 ARG 19 -9.353 2.529 7.557 78 HH21 ARG 19 HH21 ARG 19 -12.844 2.765 7.765 79 HH22 ARG 19 HH22 ARG 19 -11.440 1.861 8.239 80 H GLY 20 HN GLY 20 -14.492 8.225 1.369 81 HA2 GLY 20 HA2 GLY 20 -13.628 9.748 -0.108 82 HA3 GLY 20 HA1 GLY 20 -12.373 10.026 1.087 83 H LEU 21 HN LEU 21 -13.134 7.164 -0.879 84 HA LEU 21 HA LEU 21 -10.351 6.897 -1.567 85 HB2 LEU 21 HB2 LEU 21 -12.662 5.205 -1.627 86 HB3 LEU 21 HB1 LEU 21 -11.914 5.214 -3.215 87 HG LEU 21 HG LEU 21 -9.741 4.694 -2.056 88 HD11 LEU 21 HD11 LEU 21 -10.044 3.501 0.135 89 HD12 LEU 21 HD12 LEU 21 -11.609 4.306 0.238 90 HD13 LEU 21 HD13 LEU 21 -10.126 5.261 0.163 91 HD21 LEU 21 HD21 LEU 21 -10.524 2.257 -1.640 92 HD22 LEU 21 HD22 LEU 21 -10.581 2.954 -3.257 93 HD23 LEU 21 HD23 LEU 21 -12.053 2.849 -2.296 94 H THR 22 HN THR 22 -9.397 7.788 -3.243 95 HA THR 22 HA THR 22 -10.949 9.157 -5.247 96 HB THR 22 HB THR 22 -8.695 9.696 -6.216 97 HG1 THR 22 HG1 THR 22 -7.287 9.052 -3.988 98 HG21 THR 22 HG21 THR 22 -9.769 11.249 -4.697 99 HG22 THR 22 HG22 THR 22 -8.042 11.198 -4.342 100 HG23 THR 22 HG23 THR 22 -9.185 10.344 -3.302 101 H ASP 23 HN ASP 23 -10.051 8.807 -7.616 102 HA ASP 23 HA ASP 23 -10.936 6.306 -8.458 103 HB2 ASP 23 HB2 ASP 23 -9.222 8.384 -9.819 104 HB3 ASP 23 HB1 ASP 23 -9.733 6.913 -10.631 105 H GLU 24 HN GLU 24 -7.681 7.446 -7.765 106 HA GLU 24 HA GLU 24 -6.353 5.157 -8.789 107 HB2 GLU 24 HB2 GLU 24 -5.394 7.132 -6.706 108 HB3 GLU 24 HB1 GLU 24 -4.384 6.021 -7.621 109 HG2 GLU 24 HG2 GLU 24 -6.004 8.277 -8.778 110 HG3 GLU 24 HG1 GLU 24 -4.266 8.298 -8.490 111 H GLU 25 HN GLU 25 -7.277 6.128 -5.478 112 HA GLU 25 HA GLU 25 -6.356 3.841 -4.139 113 HB2 GLU 25 HB2 GLU 25 -8.828 5.435 -3.473 114 HB3 GLU 25 HB1 GLU 25 -7.960 4.375 -2.391 115 HG2 GLU 25 HG2 GLU 25 -6.773 6.851 -3.598 116 HG3 GLU 25 HG1 GLU 25 -7.583 6.802 -2.033 117 H TYR 26 HN TYR 26 -9.500 4.581 -5.563 118 HA TYR 26 HA TYR 26 -10.746 2.160 -4.858 119 HB2 TYR 26 HB2 TYR 26 -11.913 4.266 -5.570 120 HB3 TYR 26 HB1 TYR 26 -11.407 3.915 -7.214 121 HD1 TYR 26 HD2 TYR 26 -13.403 2.570 -4.391 122 HD2 TYR 26 HD1 TYR 26 -12.640 2.447 -8.572 123 HE1 TYR 26 HE2 TYR 26 -15.361 1.134 -4.697 124 HE2 TYR 26 HE1 TYR 26 -14.591 1.005 -8.894 125 HH TYR 26 HH TYR 26 -16.975 0.589 -6.594 126 H ASP 27 HN ASP 27 -8.785 3.095 -7.600 127 HA ASP 27 HA ASP 27 -9.330 0.780 -9.157 128 HB2 ASP 27 HB2 ASP 27 -8.362 2.860 -10.122 129 HB3 ASP 27 HB1 ASP 27 -6.897 2.594 -9.190 130 H GLU 28 HN GLU 28 -6.757 1.662 -6.884 131 HA GLU 28 HA GLU 28 -5.286 -0.737 -6.965 132 HB2 GLU 28 HB2 GLU 28 -4.539 1.353 -5.872 133 HB3 GLU 28 HB1 GLU 28 -5.800 1.172 -4.664 134 HG2 GLU 28 HG2 GLU 28 -3.807 0.476 -3.669 135 HG3 GLU 28 HG1 GLU 28 -4.720 -0.989 -4.011 136 H PHE 29 HN PHE 29 -8.061 0.312 -5.079 137 HA PHE 29 HA PHE 29 -8.438 -1.991 -3.534 138 HB2 PHE 29 HB2 PHE 29 -9.613 0.004 -2.975 139 HB3 PHE 29 HB1 PHE 29 -10.334 0.116 -4.576 140 HD1 PHE 29 HD1 PHE 29 -10.117 -2.565 -2.010 141 HD2 PHE 29 HD2 PHE 29 -12.595 -0.166 -4.485 142 HE1 PHE 29 HE1 PHE 29 -12.088 -3.731 -1.143 143 HE2 PHE 29 HE2 PHE 29 -14.582 -1.335 -3.631 144 HZ PHE 29 HZ PHE 29 -14.321 -3.115 -1.945 145 H LYS 30 HN LYS 30 -9.832 -1.121 -6.717 146 HA LYS 30 HA LYS 30 -11.253 -3.509 -7.118 147 HB2 LYS 30 HB2 LYS 30 -9.892 -1.748 -9.174 148 HB3 LYS 30 HB1 LYS 30 -11.060 -3.005 -9.546 149 HG2 LYS 30 HG2 LYS 30 -12.732 -1.769 -8.202 150 HG3 LYS 30 HG1 LYS 30 -11.557 -0.481 -7.993 151 HD2 LYS 30 HD2 LYS 30 -12.446 -1.470 -10.693 152 HD3 LYS 30 HD1 LYS 30 -13.246 -0.148 -9.842 153 HE2 LYS 30 HE2 LYS 30 -11.095 1.051 -9.757 154 HE3 LYS 30 HE1 LYS 30 -10.357 -0.248 -10.692 155 HZ1 LYS 30 HZ1 LYS 30 -11.774 0.259 -12.529 156 HZ2 LYS 30 HZ2 LYS 30 -11.025 1.690 -12.035 157 HZ3 LYS 30 HZ3 LYS 30 -12.634 1.398 -11.630 158 H LYS 31 HN LYS 31 -8.004 -2.566 -8.081 159 HA LYS 31 HA LYS 31 -7.066 -4.868 -9.261 160 HB2 LYS 31 HB2 LYS 31 -5.824 -2.804 -9.236 161 HB3 LYS 31 HB1 LYS 31 -5.668 -2.874 -7.488 162 HG2 LYS 31 HG2 LYS 31 -4.318 -4.889 -7.713 163 HG3 LYS 31 HG1 LYS 31 -4.419 -4.762 -9.466 164 HD2 LYS 31 HD2 LYS 31 -3.208 -2.730 -7.596 165 HD3 LYS 31 HD1 LYS 31 -2.317 -3.840 -8.635 166 HE2 LYS 31 HE2 LYS 31 -4.232 -1.723 -9.603 167 HE3 LYS 31 HE1 LYS 31 -2.479 -1.550 -9.559 168 HZ1 LYS 31 HZ1 LYS 31 -4.026 -3.504 -11.174 169 HZ2 LYS 31 HZ2 LYS 31 -2.341 -3.477 -11.070 170 HZ3 LYS 31 HZ3 LYS 31 -3.167 -2.168 -11.754 171 H ARG 32 HN ARG 32 -7.022 -3.992 -5.844 172 HA ARG 32 HA ARG 32 -5.856 -6.398 -4.932 173 HB2 ARG 32 HB2 ARG 32 -7.327 -4.172 -3.595 174 HB3 ARG 32 HB1 ARG 32 -6.727 -5.543 -2.685 175 HG2 ARG 32 HG2 ARG 32 -4.459 -5.048 -3.520 176 HG3 ARG 32 HG1 ARG 32 -5.100 -3.628 -4.337 177 HD2 ARG 32 HD2 ARG 32 -5.828 -2.748 -2.149 178 HD3 ARG 32 HD1 ARG 32 -5.070 -4.137 -1.368 179 HE ARG 32 HE ARG 32 -3.084 -3.072 -2.884 180 HH11 ARG 32 HH11 ARG 32 -5.146 -1.844 -0.342 181 HH12 ARG 32 HH12 ARG 32 -4.053 -0.570 0.110 182 HH21 ARG 32 HH21 ARG 32 -1.641 -1.415 -2.283 183 HH22 ARG 32 HH22 ARG 32 -2.067 -0.324 -0.998 184 H ARG 33 HN ARG 33 -9.178 -5.301 -5.231 185 HA ARG 33 HA ARG 33 -10.361 -7.494 -3.882 186 HB2 ARG 33 HB2 ARG 33 -11.553 -5.425 -4.090 187 HB3 ARG 33 HB1 ARG 33 -11.461 -5.482 -5.839 188 HG2 ARG 33 HG2 ARG 33 -13.080 -7.138 -5.991 189 HG3 ARG 33 HG1 ARG 33 -12.897 -7.613 -4.303 190 HD2 ARG 33 HD2 ARG 33 -13.899 -5.597 -3.548 191 HD3 ARG 33 HD1 ARG 33 -13.913 -4.914 -5.169 192 HE ARG 33 HE ARG 33 -15.527 -6.776 -5.697 193 HH11 ARG 33 HH11 ARG 33 -15.179 -5.548 -2.432 194 HH12 ARG 33 HH12 ARG 33 -16.832 -5.856 -2.003 195 HH21 ARG 33 HH21 ARG 33 -17.706 -7.171 -5.135 196 HH22 ARG 33 HH22 ARG 33 -18.266 -6.786 -3.539 197 H GLU 34 HN GLU 34 -9.700 -6.850 -7.292 198 HA GLU 34 HA GLU 34 -10.836 -9.200 -8.320 199 HB2 GLU 34 HB2 GLU 34 -10.122 -7.307 -9.717 200 HB3 GLU 34 HB1 GLU 34 -8.444 -7.650 -9.320 201 HG2 GLU 34 HG2 GLU 34 -8.625 -9.819 -10.431 202 HG3 GLU 34 HG1 GLU 34 -10.305 -9.467 -10.837 203 H SER 35 HN SER 35 -7.691 -8.514 -6.923 204 HA SER 35 HA SER 35 -6.480 -10.998 -7.492 205 HB2 SER 35 HB2 SER 35 -5.244 -8.944 -6.823 206 HB3 SER 35 HB1 SER 35 -5.903 -9.110 -5.196 207 HG SER 35 HG SER 35 -4.521 -11.262 -6.362 208 H ARG 36 HN ARG 36 -8.807 -10.021 -5.135 209 HA ARG 36 HA ARG 36 -8.471 -12.523 -3.647 210 HB2 ARG 36 HB2 ARG 36 -9.820 -9.929 -3.071 211 HB3 ARG 36 HB1 ARG 36 -10.443 -11.367 -2.292 212 HG2 ARG 36 HG2 ARG 36 -8.961 -10.730 -0.704 213 HG3 ARG 36 HG1 ARG 36 -7.865 -11.682 -1.708 214 HD2 ARG 36 HD2 ARG 36 -7.294 -9.575 -2.913 215 HD3 ARG 36 HD1 ARG 36 -8.247 -8.704 -1.727 216 HE ARG 36 HE ARG 36 -6.557 -10.008 -0.143 217 HH11 ARG 36 HH11 ARG 36 -5.962 -8.225 -3.093 218 HH12 ARG 36 HH12 ARG 36 -4.369 -7.716 -2.624 219 HH21 ARG 36 HH21 ARG 36 -4.467 -9.320 0.496 220 HH22 ARG 36 HH22 ARG 36 -3.525 -8.329 -0.571 221 H GLY 37 HN GLY 37 -9.778 -11.875 -6.420 222 HA2 GLY 37 HA2 GLY 37 -11.390 -12.919 -7.679 223 HA3 GLY 37 HA1 GLY 37 -11.655 -13.994 -6.316 224 H GLY 38 HN GLY 38 -11.984 -10.556 -5.933 225 HA2 GLY 38 HA2 GLY 38 -13.926 -9.236 -5.981 226 HA3 GLY 38 HA1 GLY 38 -14.884 -10.676 -6.256 227 H LYS 39 HN LYS 39 -13.037 -11.703 -3.882 228 HA LYS 39 HA LYS 39 -14.973 -10.923 -1.850 229 HB2 LYS 39 HB2 LYS 39 -12.823 -13.035 -1.838 230 HB3 LYS 39 HB1 LYS 39 -13.894 -12.699 -0.482 231 HG2 LYS 39 HG2 LYS 39 -15.076 -14.369 -1.433 232 HG3 LYS 39 HG1 LYS 39 -15.733 -13.027 -2.362 233 HD2 LYS 39 HD2 LYS 39 -14.089 -13.476 -4.137 234 HD3 LYS 39 HD1 LYS 39 -13.504 -14.867 -3.223 235 HE2 LYS 39 HE2 LYS 39 -16.305 -14.494 -4.274 236 HE3 LYS 39 HE1 LYS 39 -15.070 -15.531 -4.983 237 HZ1 LYS 39 HZ1 LYS 39 -16.590 -16.807 -3.627 238 HZ2 LYS 39 HZ2 LYS 39 -16.261 -15.840 -2.280 239 HZ3 LYS 39 HZ3 LYS 39 -15.050 -16.825 -2.930 240 H TYR 40 HN TYR 40 -14.024 -8.742 -1.987 241 HA TYR 40 HA TYR 40 -12.013 -8.371 0.072 242 HB2 TYR 40 HB2 TYR 40 -10.844 -8.603 -2.192 243 HB3 TYR 40 HB1 TYR 40 -11.612 -7.079 -2.613 244 HD1 TYR 40 HD2 TYR 40 -9.696 -8.468 0.270 245 HD2 TYR 40 HD1 TYR 40 -10.245 -5.221 -2.425 246 HE1 TYR 40 HE2 TYR 40 -7.846 -7.277 1.343 247 HE2 TYR 40 HE1 TYR 40 -8.386 -4.016 -1.351 248 HH TYR 40 HH TYR 40 -7.261 -4.106 1.054 249 H SER 41 HN SER 41 -13.378 -7.121 1.324 250 HA SER 41 HA SER 41 -15.186 -5.249 0.090 251 HB2 SER 41 HB2 SER 41 -14.839 -4.832 2.892 252 HB3 SER 41 HB1 SER 41 -16.273 -5.341 2.029 253 HG SER 41 HG SER 41 -14.140 -7.012 2.909 254 H ILE 42 HN ILE 42 -15.246 -2.939 0.913 255 HA ILE 42 HA ILE 42 -12.789 -1.690 0.332 256 HB ILE 42 HB ILE 42 -15.143 -0.670 0.213 257 HG12 ILE 42 HG12 ILE 42 -13.907 1.590 1.139 258 HG13 ILE 42 HG11 ILE 42 -12.550 0.505 0.856 259 HG21 ILE 42 HG21 ILE 42 -15.774 -1.032 2.542 260 HG22 ILE 42 HG22 ILE 42 -15.792 0.687 2.138 261 HG23 ILE 42 HG23 ILE 42 -14.445 0.009 3.062 262 HD11 ILE 42 HD11 ILE 42 -12.990 1.905 -1.055 263 HD12 ILE 42 HD12 ILE 42 -14.625 1.256 -1.171 264 HD13 ILE 42 HD13 ILE 42 -13.233 0.204 -1.435 265 H ASP 43 HN ASP 43 -14.261 -2.738 3.335 266 HA ASP 43 HA ASP 43 -12.575 -1.292 5.067 267 HB2 ASP 43 HB2 ASP 43 -14.362 -3.641 5.350 268 HB3 ASP 43 HB1 ASP 43 -13.199 -3.344 6.630 269 H ASP 44 HN ASP 44 -12.260 -4.449 3.537 270 HA ASP 44 HA ASP 44 -9.865 -5.222 4.806 271 HB2 ASP 44 HB2 ASP 44 -10.854 -5.872 2.016 272 HB3 ASP 44 HB1 ASP 44 -9.503 -6.661 2.805 273 H TYR 45 HN TYR 45 -10.593 -3.127 2.114 274 HA TYR 45 HA TYR 45 -7.857 -2.654 1.402 275 HB2 TYR 45 HB2 TYR 45 -9.563 -2.334 -0.280 276 HB3 TYR 45 HB1 TYR 45 -10.395 -1.141 0.719 277 HD1 TYR 45 HD2 TYR 45 -7.243 -1.808 -1.109 278 HD2 TYR 45 HD1 TYR 45 -9.778 1.147 0.609 279 HE1 TYR 45 HE2 TYR 45 -5.847 -0.054 -2.112 280 HE2 TYR 45 HE1 TYR 45 -8.364 2.928 -0.396 281 HH TYR 45 HH TYR 45 -6.149 3.267 -1.253 282 H LEU 46 HN LEU 46 -10.316 -0.953 3.249 283 HA LEU 46 HA LEU 46 -8.852 1.401 3.709 284 HB2 LEU 46 HB2 LEU 46 -11.176 0.166 5.177 285 HB3 LEU 46 HB1 LEU 46 -10.572 1.775 5.496 286 HG LEU 46 HG LEU 46 -11.752 0.833 2.881 287 HD11 LEU 46 HD11 LEU 46 -12.824 2.723 4.972 288 HD12 LEU 46 HD12 LEU 46 -13.411 1.091 4.657 289 HD13 LEU 46 HD13 LEU 46 -13.581 2.342 3.427 290 HD21 LEU 46 HD21 LEU 46 -10.040 2.483 2.492 291 HD22 LEU 46 HD22 LEU 46 -10.715 3.524 3.744 292 HD23 LEU 46 HD23 LEU 46 -11.628 3.216 2.268 293 H ALA 47 HN ALA 47 -9.140 -1.592 5.581 294 HA ALA 47 HA ALA 47 -7.681 -0.692 7.836 295 HB1 ALA 47 HB1 ALA 47 -9.052 -2.720 7.874 296 HB2 ALA 47 HB2 ALA 47 -7.390 -3.062 8.358 297 HB3 ALA 47 HB3 ALA 47 -7.944 -3.494 6.741 298 H ASP 48 HN ASP 48 -6.709 -2.195 4.793 299 HA ASP 48 HA ASP 48 -3.921 -2.267 5.456 300 HB2 ASP 48 HB2 ASP 48 -5.003 -3.740 3.729 301 HB3 ASP 48 HB1 ASP 48 -5.185 -2.321 2.704 302 H ARG 49 HN ARG 49 -6.103 -0.080 3.842 303 HA ARG 49 HA ARG 49 -4.306 1.796 2.812 304 HB2 ARG 49 HB2 ARG 49 -6.776 1.629 2.363 305 HB3 ARG 49 HB1 ARG 49 -7.046 2.365 3.936 306 HG2 ARG 49 HG2 ARG 49 -5.900 4.360 3.234 307 HG3 ARG 49 HG1 ARG 49 -5.528 3.632 1.670 308 HD2 ARG 49 HD2 ARG 49 -8.006 3.373 1.349 309 HD3 ARG 49 HD1 ARG 49 -8.227 4.387 2.769 310 HE ARG 49 HE ARG 49 -6.745 5.309 0.376 311 HH11 ARG 49 HH11 ARG 49 -9.129 5.813 2.892 312 HH12 ARG 49 HH12 ARG 49 -9.555 7.408 2.358 313 HH21 ARG 49 HH21 ARG 49 -7.286 7.424 -0.320 314 HH22 ARG 49 HH22 ARG 49 -8.495 8.327 0.536 315 H GLU 50 HN GLU 50 -5.724 1.401 6.004 316 HA GLU 50 HA GLU 50 -4.749 3.721 7.242 317 HB2 GLU 50 HB2 GLU 50 -5.429 0.976 8.280 318 HB3 GLU 50 HB1 GLU 50 -4.859 2.257 9.343 319 HG2 GLU 50 HG2 GLU 50 -7.301 2.415 7.595 320 HG3 GLU 50 HG1 GLU 50 -7.302 2.039 9.318 321 H ARG 51 HN ARG 51 -3.233 0.713 6.408 322 HA ARG 51 HA ARG 51 -0.842 1.244 7.953 323 HB2 ARG 51 HB2 ARG 51 -1.500 -0.909 5.976 324 HB3 ARG 51 HB1 ARG 51 -0.019 -0.826 6.927 325 HG2 ARG 51 HG2 ARG 51 -1.775 -0.636 8.906 326 HG3 ARG 51 HG1 ARG 51 -2.757 -1.531 7.747 327 HD2 ARG 51 HD2 ARG 51 -0.945 -3.163 7.512 328 HD3 ARG 51 HD1 ARG 51 -0.026 -2.268 8.722 329 HE ARG 51 HE ARG 51 -2.640 -3.134 9.591 330 HH11 ARG 51 HH11 ARG 51 0.764 -3.911 9.384 331 HH12 ARG 51 HH12 ARG 51 0.708 -5.078 10.664 332 HH21 ARG 51 HH21 ARG 51 -2.722 -4.669 11.288 333 HH22 ARG 51 HH22 ARG 51 -1.277 -5.511 11.750 334 H GLU 52 HN GLU 52 -2.083 1.756 4.806 335 HA GLU 52 HA GLU 52 0.342 1.832 3.397 336 HB2 GLU 52 HB2 GLU 52 -2.332 3.031 2.745 337 HB3 GLU 52 HB1 GLU 52 -0.956 3.047 1.647 338 HG2 GLU 52 HG2 GLU 52 -0.900 0.535 1.903 339 HG3 GLU 52 HG1 GLU 52 -2.470 0.679 2.682 340 H GLU 53 HN GLU 53 -1.048 4.099 5.547 341 HA GLU 53 HA GLU 53 -0.030 6.485 4.487 342 HB2 GLU 53 HB2 GLU 53 -0.365 5.730 7.395 343 HB3 GLU 53 HB1 GLU 53 -0.126 7.363 6.793 344 HG2 GLU 53 HG2 GLU 53 -2.237 7.139 5.511 345 HG3 GLU 53 HG1 GLU 53 -2.487 5.574 6.281 346 H GLU 54 HN GLU 54 1.456 4.110 6.666 347 HA GLU 54 HA GLU 54 3.990 5.497 6.528 348 HB2 GLU 54 HB2 GLU 54 4.807 3.496 7.870 349 HB3 GLU 54 HB1 GLU 54 3.627 4.544 8.638 350 HG2 GLU 54 HG2 GLU 54 2.596 2.191 7.168 351 HG3 GLU 54 HG1 GLU 54 3.451 1.896 8.680 352 H LEU 55 HN LEU 55 2.377 3.149 4.706 353 HA LEU 55 HA LEU 55 4.803 1.914 3.698 354 HB2 LEU 55 HB2 LEU 55 1.974 1.606 2.710 355 HB3 LEU 55 HB1 LEU 55 3.343 0.632 2.229 356 HG LEU 55 HG LEU 55 2.213 0.728 5.026 357 HD11 LEU 55 HD11 LEU 55 0.647 -0.312 3.483 358 HD12 LEU 55 HD12 LEU 55 1.374 -1.519 4.543 359 HD13 LEU 55 HD13 LEU 55 1.925 -1.364 2.875 360 HD21 LEU 55 HD21 LEU 55 4.581 0.210 5.005 361 HD22 LEU 55 HD22 LEU 55 4.322 -1.025 3.773 362 HD23 LEU 55 HD23 LEU 55 3.647 -1.236 5.388 363 H LEU 56 HN LEU 56 2.736 4.559 2.867 364 HA LEU 56 HA LEU 56 3.506 4.812 0.150 365 HB2 LEU 56 HB2 LEU 56 2.591 6.904 2.124 366 HB3 LEU 56 HB1 LEU 56 2.824 7.204 0.415 367 HG LEU 56 HG LEU 56 0.771 5.392 1.680 368 HD11 LEU 56 HD11 LEU 56 0.506 7.910 0.049 369 HD12 LEU 56 HD12 LEU 56 0.237 7.760 1.785 370 HD13 LEU 56 HD13 LEU 56 -0.826 6.925 0.653 371 HD21 LEU 56 HD21 LEU 56 -0.033 5.001 -0.618 372 HD22 LEU 56 HD22 LEU 56 1.576 4.335 -0.343 373 HD23 LEU 56 HD23 LEU 56 1.387 5.842 -1.239 374 H GLU 57 HN GLU 57 4.950 5.760 3.173 375 HA GLU 57 HA GLU 57 7.047 7.203 1.772 376 HB2 GLU 57 HB2 GLU 57 7.862 7.663 4.144 377 HB3 GLU 57 HB1 GLU 57 6.361 8.424 3.637 378 HG2 GLU 57 HG2 GLU 57 5.078 6.771 4.850 379 HG3 GLU 57 HG1 GLU 57 6.558 5.919 5.295 380 H ARG 58 HN ARG 58 7.287 4.733 0.981 381 HA ARG 58 HA ARG 58 9.247 3.401 2.690 382 HB2 ARG 58 HB2 ARG 58 7.764 2.523 0.226 383 HB3 ARG 58 HB1 ARG 58 9.140 1.622 0.845 384 HG2 ARG 58 HG2 ARG 58 7.984 1.277 2.957 385 HG3 ARG 58 HG1 ARG 58 6.615 2.224 2.373 386 HD2 ARG 58 HD2 ARG 58 6.133 -0.140 2.165 387 HD3 ARG 58 HD1 ARG 58 6.282 0.586 0.566 388 HE ARG 58 HE ARG 58 8.762 -0.501 1.413 389 HH11 ARG 58 HH11 ARG 58 5.612 -1.437 0.190 390 HH12 ARG 58 HH12 ARG 58 6.190 -2.909 -0.523 391 HH21 ARG 58 HH21 ARG 58 9.521 -2.436 0.460 392 HH22 ARG 58 HH22 ARG 58 8.406 -3.472 -0.378 393 H ASP 59 HN ASP 59 9.140 3.829 -0.844 394 HA ASP 59 HA ASP 59 11.666 5.162 -0.874 395 HB2 ASP 59 HB2 ASP 59 12.798 3.222 -2.147 396 HB3 ASP 59 HB1 ASP 59 12.680 3.135 -0.392 397 H GLU 60 HN GLU 60 10.554 2.783 -3.226 398 HA GLU 60 HA GLU 60 10.776 4.567 -5.413 399 HB2 GLU 60 HB2 GLU 60 11.053 2.147 -5.608 400 HB3 GLU 60 HB1 GLU 60 9.378 1.897 -5.146 401 HG2 GLU 60 HG2 GLU 60 8.769 3.238 -7.212 402 HG3 GLU 60 HG1 GLU 60 10.458 3.048 -7.693 403 H GLU 61 HN GLU 61 8.278 3.957 -3.176 404 HA GLU 61 HA GLU 61 5.944 4.164 -4.589 405 HB2 GLU 61 HB2 GLU 61 6.366 5.402 -1.872 406 HB3 GLU 61 HB1 GLU 61 4.864 4.778 -2.541 407 HG2 GLU 61 HG2 GLU 61 7.289 3.200 -1.722 408 HG3 GLU 61 HG1 GLU 61 5.710 3.221 -0.937 409 H GLU 62 HN GLU 62 7.349 6.948 -2.819 410 HA GLU 62 HA GLU 62 6.815 8.715 -5.014 411 HB2 GLU 62 HB2 GLU 62 4.568 8.385 -4.003 412 HB3 GLU 62 HB1 GLU 62 5.180 9.056 -2.500 413 HG2 GLU 62 HG2 GLU 62 5.689 11.157 -3.700 414 HG3 GLU 62 HG1 GLU 62 4.942 10.473 -5.144 415 H ALA 63 HN ALA 63 9.101 8.869 -4.547 416 HA ALA 63 HA ALA 63 10.898 10.106 -3.919 417 HB1 ALA 63 HB1 ALA 63 9.430 11.906 -4.713 418 HB2 ALA 63 HB2 ALA 63 10.515 12.440 -3.429 419 HB3 ALA 63 HB3 ALA 63 8.820 12.113 -3.070 420 H ILE 64 HN ILE 64 11.090 8.379 -2.162 421 HA ILE 64 HA ILE 64 11.084 9.749 0.448 422 HB ILE 64 HB ILE 64 11.033 6.769 -0.005 423 HG12 ILE 64 HG12 ILE 64 8.774 7.176 1.278 424 HG13 ILE 64 HG11 ILE 64 8.891 8.772 0.554 425 HG21 ILE 64 HG21 ILE 64 10.873 8.384 2.533 426 HG22 ILE 64 HG22 ILE 64 12.227 7.381 2.013 427 HG23 ILE 64 HG23 ILE 64 10.681 6.635 2.416 428 HD11 ILE 64 HD11 ILE 64 9.015 7.728 -1.665 429 HD12 ILE 64 HD12 ILE 64 7.526 7.324 -0.809 430 HD13 ILE 64 HD13 ILE 64 8.832 6.144 -0.911 431 H PHE 65 HN PHE 65 12.833 7.711 -1.754 432 HA PHE 65 HA PHE 65 15.198 7.483 -0.149 433 HB2 PHE 65 HB2 PHE 65 16.136 6.372 -2.134 434 HB3 PHE 65 HB1 PHE 65 14.534 5.738 -1.757 435 HD1 PHE 65 HD2 PHE 65 12.573 6.551 -3.084 436 HD2 PHE 65 HD1 PHE 65 16.590 7.332 -4.233 437 HE1 PHE 65 HE2 PHE 65 11.811 7.071 -5.357 438 HE2 PHE 65 HE1 PHE 65 15.839 7.859 -6.518 439 HZ PHE 65 HZ PHE 65 13.447 7.730 -7.082 440 H GLY 66 HN GLY 66 13.941 10.080 -1.451 441 HA2 GLY 66 HA2 GLY 66 16.017 11.806 -1.367 442 HA3 GLY 66 HA1 GLY 66 16.110 11.152 -3.000 443 H ASP 67 HN ASP 67 15.695 13.677 -3.156 444 HA ASP 67 HA ASP 67 12.891 14.355 -2.931 445 HB2 ASP 67 HB2 ASP 67 14.685 16.030 -2.482 446 HB3 ASP 67 HB1 ASP 67 15.123 15.967 -4.187 447 H GLY 68 HN GLY 68 12.548 12.395 -4.360 448 HA2 GLY 68 HA2 GLY 68 11.392 13.074 -6.739 449 HA3 GLY 68 HA1 GLY 68 13.049 12.666 -7.167 450 H PHE 69 HN PHE 69 11.165 11.138 -8.264 451 HA PHE 69 HA PHE 69 11.178 8.683 -6.645 452 HB2 PHE 69 HB2 PHE 69 9.073 8.063 -7.927 453 HB3 PHE 69 HB1 PHE 69 8.904 9.356 -6.747 454 HD1 PHE 69 HD2 PHE 69 8.613 11.674 -7.481 455 HD2 PHE 69 HD1 PHE 69 8.787 8.464 -10.270 456 HE1 PHE 69 HE2 PHE 69 7.656 13.134 -9.212 457 HE2 PHE 69 HE1 PHE 69 7.827 9.919 -12.006 458 HZ PHE 69 HZ PHE 69 7.261 12.257 -11.478 459 H GLY 70 HN GLY 70 13.199 9.578 -8.450 460 HA2 GLY 70 HA2 GLY 70 12.891 8.117 -10.921 461 HA3 GLY 70 HA1 GLY 70 14.320 8.989 -10.393 462 H LEU 71 HN LEU 71 12.421 6.150 -9.413 463 HA LEU 71 HA LEU 71 14.932 4.626 -9.267 464 HB2 LEU 71 HB2 LEU 71 14.089 5.344 -6.997 465 HB3 LEU 71 HB1 LEU 71 12.665 4.368 -7.290 466 HG LEU 71 HG LEU 71 14.099 2.353 -7.435 467 HD11 LEU 71 HD11 LEU 71 16.299 4.249 -6.624 468 HD12 LEU 71 HD12 LEU 71 16.167 3.406 -8.167 469 HD13 LEU 71 HD13 LEU 71 16.425 2.492 -6.681 470 HD21 LEU 71 HD21 LEU 71 14.407 3.973 -4.910 471 HD22 LEU 71 HD22 LEU 71 14.616 2.227 -5.046 472 HD23 LEU 71 HD23 LEU 71 13.033 2.952 -5.331 473 H LYS 72 HN LYS 72 13.541 4.561 -11.500 474 HA LYS 72 HA LYS 72 12.543 3.202 -13.021 475 HB2 LYS 72 HB2 LYS 72 12.764 1.087 -10.869 476 HB3 LYS 72 HB1 LYS 72 12.403 0.788 -12.562 477 HG2 LYS 72 HG2 LYS 72 14.605 1.602 -13.194 478 HG3 LYS 72 HG1 LYS 72 14.966 1.965 -11.505 479 HD2 LYS 72 HD2 LYS 72 14.381 -0.769 -12.644 480 HD3 LYS 72 HD1 LYS 72 15.973 -0.155 -12.197 481 HE2 LYS 72 HE2 LYS 72 15.206 0.078 -9.869 482 HE3 LYS 72 HE1 LYS 72 13.640 -0.584 -10.329 483 HZ1 LYS 72 HZ1 LYS 72 16.252 -1.986 -10.438 484 HZ2 LYS 72 HZ2 LYS 72 14.801 -2.623 -11.023 485 HZ3 LYS 72 HZ3 LYS 72 14.976 -2.301 -9.374 486 H ALA 73 HN ALA 73 10.982 4.760 -11.108 487 HA ALA 73 HA ALA 73 8.638 3.150 -10.520 488 HB1 ALA 73 HB1 ALA 73 7.760 5.177 -9.484 489 HB2 ALA 73 HB2 ALA 73 9.131 6.097 -10.103 490 HB3 ALA 73 HB3 ALA 73 9.391 4.829 -8.905 491 H THR 74 HN THR 74 9.739 5.433 -12.882 492 HA THR 74 HA THR 74 7.105 5.876 -13.981 493 HB THR 74 HB THR 74 8.434 7.084 -15.793 494 HG1 THR 74 HG1 THR 74 10.589 7.407 -15.437 495 HG21 THR 74 HG21 THR 74 8.751 7.996 -12.930 496 HG22 THR 74 HG22 THR 74 7.331 8.253 -13.945 497 HG23 THR 74 HG23 THR 74 8.863 9.023 -14.360 498 H ARG 75 HN ARG 75 6.160 4.603 -15.412 499 HA ARG 75 HA ARG 75 7.739 2.511 -16.711 500 HB2 ARG 75 HB2 ARG 75 4.735 2.851 -16.701 501 HB3 ARG 75 HB1 ARG 75 5.640 1.412 -17.151 502 HG2 ARG 75 HG2 ARG 75 5.488 2.616 -14.396 503 HG3 ARG 75 HG1 ARG 75 4.644 1.168 -14.951 504 HD2 ARG 75 HD2 ARG 75 6.719 0.006 -15.262 505 HD3 ARG 75 HD1 ARG 75 7.643 1.472 -14.934 506 HE ARG 75 HE ARG 75 6.052 0.976 -12.705 507 HH11 ARG 75 HH11 ARG 75 8.705 -0.539 -14.404 508 HH12 ARG 75 HH12 ARG 75 9.349 -1.300 -12.987 509 HH21 ARG 75 HH21 ARG 75 6.912 0.009 -10.825 510 HH22 ARG 75 HH22 ARG 75 8.337 -0.972 -10.940 511 H ARG 76 HN ARG 76 6.776 5.571 -17.324 512 HA ARG 76 HA ARG 76 6.634 5.128 -20.236 513 HB2 ARG 76 HB2 ARG 76 5.688 7.583 -18.747 514 HB3 ARG 76 HB1 ARG 76 5.389 7.173 -20.430 515 HG2 ARG 76 HG2 ARG 76 3.943 5.370 -19.793 516 HG3 ARG 76 HG1 ARG 76 4.346 5.596 -18.091 517 HD2 ARG 76 HD2 ARG 76 2.194 6.585 -18.546 518 HD3 ARG 76 HD1 ARG 76 3.367 7.853 -18.190 519 HE ARG 76 HE ARG 76 3.064 7.299 -21.001 520 HH11 ARG 76 HH11 ARG 76 1.873 9.152 -18.282 521 HH12 ARG 76 HH12 ARG 76 1.157 10.382 -19.276 522 HH21 ARG 76 HH21 ARG 76 2.121 8.908 -22.307 523 HH22 ARG 76 HH22 ARG 76 1.288 10.238 -21.565 524 H SER 77 HN SER 77 7.510 7.737 -17.974 525 HA SER 77 HA SER 77 9.635 8.598 -19.738 526 HB2 SER 77 HB2 SER 77 9.906 10.350 -17.854 527 HB3 SER 77 HB1 SER 77 8.428 10.393 -18.818 528 HG SER 77 HG SER 77 8.428 10.378 -16.307 529 H ARG 78 HN ARG 78 10.589 6.331 -19.289 530 HA ARG 78 HA ARG 78 12.335 6.470 -16.926 531 HB2 ARG 78 HB2 ARG 78 12.760 4.059 -17.304 532 HB3 ARG 78 HB1 ARG 78 11.064 4.410 -17.005 533 HG2 ARG 78 HG2 ARG 78 10.555 4.179 -19.347 534 HG3 ARG 78 HG1 ARG 78 12.265 3.976 -19.732 535 HD2 ARG 78 HD2 ARG 78 10.588 2.124 -18.043 536 HD3 ARG 78 HD1 ARG 78 11.113 1.828 -19.700 537 HE ARG 78 HE ARG 78 13.253 2.314 -17.819 538 HH11 ARG 78 HH11 ARG 78 11.228 -0.095 -19.350 539 HH12 ARG 78 HH12 ARG 78 12.331 -1.399 -19.046 540 HH21 ARG 78 HH21 ARG 78 14.702 0.608 -17.419 541 HH22 ARG 78 HH22 ARG 78 14.312 -0.998 -17.945 542 H LYS 79 HN LYS 79 14.364 7.047 -17.217 543 HA LYS 79 HA LYS 79 16.261 7.762 -18.230 544 HB2 LYS 79 HB2 LYS 79 15.741 5.267 -19.849 545 HB3 LYS 79 HB1 LYS 79 17.225 6.203 -19.959 546 HG2 LYS 79 HG2 LYS 79 17.633 5.807 -17.566 547 HG3 LYS 79 HG1 LYS 79 16.169 4.827 -17.495 548 HD2 LYS 79 HD2 LYS 79 17.107 3.237 -19.049 549 HD3 LYS 79 HD1 LYS 79 18.532 4.252 -19.280 550 HE2 LYS 79 HE2 LYS 79 17.692 2.912 -16.710 551 HE3 LYS 79 HE1 LYS 79 19.006 2.400 -17.766 552 HZ1 LYS 79 HZ1 LYS 79 19.870 3.651 -15.919 553 HZ2 LYS 79 HZ2 LYS 79 18.857 4.955 -16.267 554 HZ3 LYS 79 HZ3 LYS 79 20.093 4.540 -17.340 555 H ALA 80 HN ALA 80 13.991 9.067 -19.029 556 HA ALA 80 HA ALA 80 14.744 9.913 -21.720 557 HB1 ALA 80 HB1 ALA 80 12.424 9.939 -22.480 558 HB2 ALA 80 HB2 ALA 80 11.908 9.231 -20.949 559 HB3 ALA 80 HB3 ALA 80 12.929 8.306 -22.048 560 H GLU 81 HN GLU 81 15.332 11.945 -21.298 561 HA GLU 81 HA GLU 81 13.825 13.506 -19.357 562 HB2 GLU 81 HB2 GLU 81 15.634 15.228 -19.819 563 HB3 GLU 81 HB1 GLU 81 16.136 13.747 -19.014 564 HG2 GLU 81 HG2 GLU 81 17.017 12.891 -21.104 565 HG3 GLU 81 HG1 GLU 81 16.451 14.331 -21.951 566 H ARG 82 HN ARG 82 14.177 13.145 -22.749 567 HA ARG 82 HA ARG 82 13.231 15.770 -23.413 568 HB2 ARG 82 HB2 ARG 82 13.335 13.290 -25.148 569 HB3 ARG 82 HB1 ARG 82 13.122 14.941 -25.712 570 HG2 ARG 82 HG2 ARG 82 15.359 15.501 -24.866 571 HG3 ARG 82 HG1 ARG 82 15.570 13.830 -24.354 572 HD2 ARG 82 HD2 ARG 82 16.668 13.974 -26.422 573 HD3 ARG 82 HD1 ARG 82 15.127 13.194 -26.776 574 HE ARG 82 HE ARG 82 14.778 15.932 -27.147 575 HH11 ARG 82 HH11 ARG 82 16.607 13.306 -28.564 576 HH12 ARG 82 HH12 ARG 82 16.725 14.057 -30.123 577 HH21 ARG 82 HH21 ARG 82 14.936 16.928 -29.196 578 HH22 ARG 82 HH22 ARG 82 15.770 16.120 -30.484 579 H ALA 83 HN ALA 83 11.170 16.438 -23.478 580 HA ALA 83 HA ALA 83 9.107 14.477 -22.830 581 HB1 ALA 83 HB1 ALA 83 8.985 17.487 -22.830 582 HB2 ALA 83 HB2 ALA 83 9.264 16.462 -21.423 583 HB3 ALA 83 HB3 ALA 83 7.715 16.403 -22.265 584 H LYS 84 HN LYS 84 10.306 16.087 -25.538 585 HA LYS 84 HA LYS 84 7.773 16.183 -26.957 586 HB2 LYS 84 HB2 LYS 84 10.601 16.774 -27.841 587 HB3 LYS 84 HB1 LYS 84 9.191 16.939 -28.878 588 HG2 LYS 84 HG2 LYS 84 9.611 18.437 -26.302 589 HG3 LYS 84 HG1 LYS 84 9.957 19.073 -27.910 590 HD2 LYS 84 HD2 LYS 84 7.611 18.830 -28.525 591 HD3 LYS 84 HD1 LYS 84 7.253 18.146 -26.939 592 HE2 LYS 84 HE2 LYS 84 6.627 20.500 -27.044 593 HE3 LYS 84 HE1 LYS 84 7.919 20.236 -25.877 594 HZ1 LYS 84 HZ1 LYS 84 8.323 22.193 -27.229 595 HZ2 LYS 84 HZ2 LYS 84 8.282 21.263 -28.638 596 HZ3 LYS 84 HZ3 LYS 84 9.512 21.024 -27.506 597 H LEU 85 HN LEU 85 8.458 13.626 -26.041 598 HA LEU 85 HA LEU 85 9.145 12.213 -28.525 599 HB2 LEU 85 HB2 LEU 85 9.229 11.231 -25.669 600 HB3 LEU 85 HB1 LEU 85 9.623 10.266 -27.078 601 HG LEU 85 HG LEU 85 11.138 12.708 -26.147 602 HD11 LEU 85 HD11 LEU 85 12.902 11.127 -25.581 603 HD12 LEU 85 HD12 LEU 85 11.863 9.784 -26.052 604 HD13 LEU 85 HD13 LEU 85 11.431 10.790 -24.669 605 HD21 LEU 85 HD21 LEU 85 12.779 12.053 -27.850 606 HD22 LEU 85 HD22 LEU 85 11.224 12.478 -28.563 607 HD23 LEU 85 HD23 LEU 85 11.688 10.784 -28.404 Start of MODEL 16 1 H1 GLY 11 HT1 GLY 11 -17.023 -5.244 5.738 2 H2 GLY 11 HT2 GLY 11 -16.362 -3.785 5.188 3 H3 GLY 11 HT3 GLY 11 -16.081 -5.224 4.333 4 HA2 GLY 11 HA1 GLY 11 -17.733 -3.878 3.206 5 HA3 GLY 11 HA2 GLY 11 -18.421 -5.392 3.780 6 H ARG 12 HN ARG 12 -18.444 -1.948 4.052 7 HA ARG 12 HA ARG 12 -20.112 -1.984 6.423 8 HB2 ARG 12 HB2 ARG 12 -19.213 0.333 4.717 9 HB3 ARG 12 HB1 ARG 12 -20.094 0.470 6.230 10 HG2 ARG 12 HG2 ARG 12 -17.323 -0.622 5.848 11 HG3 ARG 12 HG1 ARG 12 -17.779 0.895 6.617 12 HD2 ARG 12 HD2 ARG 12 -18.845 -0.266 8.419 13 HD3 ARG 12 HD1 ARG 12 -18.604 -1.818 7.617 14 HE ARG 12 HE ARG 12 -16.093 -1.003 7.828 15 HH11 ARG 12 HH11 ARG 12 -18.676 -0.920 10.201 16 HH12 ARG 12 HH12 ARG 12 -17.603 -1.085 11.553 17 HH21 ARG 12 HH21 ARG 12 -14.695 -1.240 9.611 18 HH22 ARG 12 HH22 ARG 12 -15.346 -1.272 11.218 19 HA PRO 13 HA PRO 13 -23.933 -1.977 4.337 20 HB2 PRO 13 HB2 PRO 13 -25.516 -1.156 6.297 21 HB3 PRO 13 HB1 PRO 13 -24.643 -2.684 6.415 22 HG2 PRO 13 HG2 PRO 13 -23.951 -0.023 7.610 23 HG3 PRO 13 HG1 PRO 13 -23.928 -1.625 8.373 24 HD2 PRO 13 HD2 PRO 13 -21.689 -0.410 7.374 25 HD3 PRO 13 HD1 PRO 13 -21.899 -2.171 7.446 26 H GLY 14 HN GLY 14 -22.545 0.212 3.413 27 HA2 GLY 14 HA2 GLY 14 -23.156 2.039 2.126 28 HA3 GLY 14 HA1 GLY 14 -24.757 1.965 2.835 29 H VAL 15 HN VAL 15 -23.289 2.022 5.547 30 HA VAL 15 HA VAL 15 -23.756 4.765 5.998 31 HB VAL 15 HB VAL 15 -22.857 4.338 8.281 32 HG11 VAL 15 HG11 VAL 15 -25.205 3.948 7.763 33 HG12 VAL 15 HG12 VAL 15 -24.620 2.771 8.938 34 HG13 VAL 15 HG13 VAL 15 -24.831 2.305 7.250 35 HG21 VAL 15 HG21 VAL 15 -22.289 2.024 8.897 36 HG22 VAL 15 HG22 VAL 15 -21.147 2.700 7.740 37 HG23 VAL 15 HG23 VAL 15 -22.378 1.564 7.198 38 H PHE 16 HN PHE 16 -20.768 2.927 5.581 39 HA PHE 16 HA PHE 16 -19.260 5.437 5.853 40 HB2 PHE 16 HB2 PHE 16 -18.705 3.478 7.379 41 HB3 PHE 16 HB1 PHE 16 -18.131 2.641 5.945 42 HD1 PHE 16 HD1 PHE 16 -16.150 3.512 4.711 43 HD2 PHE 16 HD2 PHE 16 -17.417 5.145 8.435 44 HE1 PHE 16 HE1 PHE 16 -13.948 4.566 5.001 45 HE2 PHE 16 HE2 PHE 16 -15.217 6.202 8.726 46 HZ PHE 16 HZ PHE 16 -13.479 5.912 7.009 47 H ARG 17 HN ARG 17 -18.856 2.356 4.168 48 HA ARG 17 HA ARG 17 -18.268 1.793 2.071 49 HB2 ARG 17 HB2 ARG 17 -19.315 4.550 1.442 50 HB3 ARG 17 HB1 ARG 17 -18.781 3.410 0.214 51 HG2 ARG 17 HG2 ARG 17 -21.059 3.031 2.144 52 HG3 ARG 17 HG1 ARG 17 -21.185 3.377 0.421 53 HD2 ARG 17 HD2 ARG 17 -19.867 1.221 0.066 54 HD3 ARG 17 HD1 ARG 17 -20.207 0.871 1.761 55 HE ARG 17 HE ARG 17 -22.586 1.532 0.360 56 HH11 ARG 17 HH11 ARG 17 -20.289 -1.055 0.875 57 HH12 ARG 17 HH12 ARG 17 -21.409 -2.309 0.461 58 HH21 ARG 17 HH21 ARG 17 -24.075 -0.118 -0.163 59 HH22 ARG 17 HH22 ARG 17 -23.563 -1.774 -0.140 60 H THR 18 HN THR 18 -17.451 5.183 1.489 61 HA THR 18 HA THR 18 -14.636 4.337 1.452 62 HB THR 18 HB THR 18 -14.420 6.130 -0.397 63 HG1 THR 18 HG1 THR 18 -16.292 6.561 -1.531 64 HG21 THR 18 HG21 THR 18 -14.101 3.742 -0.763 65 HG22 THR 18 HG22 THR 18 -14.961 4.468 -2.120 66 HG23 THR 18 HG23 THR 18 -15.842 3.519 -0.920 67 H ARG 19 HN ARG 19 -13.243 5.536 2.533 68 HA ARG 19 HA ARG 19 -14.122 7.993 3.790 69 HB2 ARG 19 HB2 ARG 19 -11.918 7.910 4.936 70 HB3 ARG 19 HB1 ARG 19 -12.872 6.455 5.173 71 HG2 ARG 19 HG2 ARG 19 -11.543 5.330 3.435 72 HG3 ARG 19 HG1 ARG 19 -10.556 6.785 3.280 73 HD2 ARG 19 HD2 ARG 19 -10.900 5.159 5.788 74 HD3 ARG 19 HD1 ARG 19 -9.503 5.095 4.719 75 HE ARG 19 HE ARG 19 -9.293 7.572 5.307 76 HH11 ARG 19 HH11 ARG 19 -10.623 5.177 7.488 77 HH12 ARG 19 HH12 ARG 19 -10.084 5.999 8.917 78 HH21 ARG 19 HH21 ARG 19 -8.607 8.670 7.192 79 HH22 ARG 19 HH22 ARG 19 -8.949 7.988 8.751 80 H GLY 20 HN GLY 20 -14.250 8.534 1.264 81 HA2 GLY 20 HA2 GLY 20 -13.522 9.963 -0.377 82 HA3 GLY 20 HA1 GLY 20 -12.283 10.512 0.744 83 H LEU 21 HN LEU 21 -12.997 7.473 -0.979 84 HA LEU 21 HA LEU 21 -10.165 7.096 -1.446 85 HB2 LEU 21 HB2 LEU 21 -12.393 5.366 -1.312 86 HB3 LEU 21 HB1 LEU 21 -11.809 5.280 -2.961 87 HG LEU 21 HG LEU 21 -9.512 4.862 -1.994 88 HD11 LEU 21 HD11 LEU 21 -11.119 4.440 0.501 89 HD12 LEU 21 HD12 LEU 21 -9.874 5.660 0.233 90 HD13 LEU 21 HD13 LEU 21 -9.440 3.950 0.274 91 HD21 LEU 21 HD21 LEU 21 -9.854 2.530 -1.816 92 HD22 LEU 21 HD22 LEU 21 -11.047 3.132 -2.971 93 HD23 LEU 21 HD23 LEU 21 -11.528 2.754 -1.318 94 H THR 22 HN THR 22 -9.213 8.165 -3.017 95 HA THR 22 HA THR 22 -10.610 9.371 -5.155 96 HB THR 22 HB THR 22 -8.290 9.687 -6.124 97 HG1 THR 22 HG1 THR 22 -6.718 9.300 -4.198 98 HG21 THR 22 HG21 THR 22 -9.365 11.413 -4.785 99 HG22 THR 22 HG22 THR 22 -7.650 11.334 -4.385 100 HG23 THR 22 HG23 THR 22 -8.844 10.622 -3.298 101 H ASP 23 HN ASP 23 -9.799 8.946 -7.490 102 HA ASP 23 HA ASP 23 -10.854 6.466 -8.212 103 HB2 ASP 23 HB2 ASP 23 -9.213 8.478 -9.741 104 HB3 ASP 23 HB1 ASP 23 -9.823 7.008 -10.485 105 H GLU 24 HN GLU 24 -7.515 7.472 -7.719 106 HA GLU 24 HA GLU 24 -6.363 5.116 -8.821 107 HB2 GLU 24 HB2 GLU 24 -4.277 5.878 -7.821 108 HB3 GLU 24 HB1 GLU 24 -5.112 7.221 -8.586 109 HG2 GLU 24 HG2 GLU 24 -5.993 7.822 -6.303 110 HG3 GLU 24 HG1 GLU 24 -4.865 6.634 -5.652 111 H GLU 25 HN GLU 25 -7.151 6.080 -5.482 112 HA GLU 25 HA GLU 25 -6.208 3.741 -4.214 113 HB2 GLU 25 HB2 GLU 25 -8.544 5.473 -3.392 114 HB3 GLU 25 HB1 GLU 25 -7.682 4.351 -2.365 115 HG2 GLU 25 HG2 GLU 25 -6.344 6.709 -3.643 116 HG3 GLU 25 HG1 GLU 25 -7.149 6.792 -2.076 117 H TYR 26 HN TYR 26 -9.356 4.637 -5.536 118 HA TYR 26 HA TYR 26 -10.673 2.258 -4.754 119 HB2 TYR 26 HB2 TYR 26 -11.804 4.419 -5.327 120 HB3 TYR 26 HB1 TYR 26 -11.411 4.118 -7.015 121 HD1 TYR 26 HD1 TYR 26 -13.280 2.730 -4.127 122 HD2 TYR 26 HD2 TYR 26 -12.792 2.768 -8.349 123 HE1 TYR 26 HE1 TYR 26 -15.326 1.407 -4.368 124 HE2 TYR 26 HE2 TYR 26 -14.832 1.438 -8.609 125 HH TYR 26 HH TYR 26 -16.239 -0.065 -7.320 126 H ASP 27 HN ASP 27 -9.057 3.262 -7.738 127 HA ASP 27 HA ASP 27 -9.642 0.987 -9.296 128 HB2 ASP 27 HB2 ASP 27 -8.602 3.119 -10.139 129 HB3 ASP 27 HB1 ASP 27 -7.107 2.636 -9.357 130 H GLU 28 HN GLU 28 -6.914 1.738 -7.142 131 HA GLU 28 HA GLU 28 -5.522 -0.671 -7.411 132 HB2 GLU 28 HB2 GLU 28 -4.581 1.304 -6.296 133 HB3 GLU 28 HB1 GLU 28 -5.763 1.146 -5.008 134 HG2 GLU 28 HG2 GLU 28 -4.765 -0.710 -4.121 135 HG3 GLU 28 HG1 GLU 28 -3.934 -1.121 -5.611 136 H PHE 29 HN PHE 29 -7.905 0.347 -5.025 137 HA PHE 29 HA PHE 29 -8.301 -1.949 -3.568 138 HB2 PHE 29 HB2 PHE 29 -9.432 -0.030 -2.890 139 HB3 PHE 29 HB1 PHE 29 -10.110 0.261 -4.487 140 HD1 PHE 29 HD1 PHE 29 -10.142 -2.497 -1.998 141 HD2 PHE 29 HD2 PHE 29 -12.366 0.025 -4.590 142 HE1 PHE 29 HE1 PHE 29 -12.199 -3.563 -1.253 143 HE2 PHE 29 HE2 PHE 29 -14.452 -1.044 -3.847 144 HZ PHE 29 HZ PHE 29 -14.363 -2.825 -2.156 145 H LYS 30 HN LYS 30 -9.825 -1.080 -6.655 146 HA LYS 30 HA LYS 30 -11.404 -3.378 -6.945 147 HB2 LYS 30 HB2 LYS 30 -10.166 -1.522 -8.976 148 HB3 LYS 30 HB1 LYS 30 -11.300 -2.796 -9.399 149 HG2 LYS 30 HG2 LYS 30 -13.066 -1.748 -8.306 150 HG3 LYS 30 HG1 LYS 30 -12.000 -0.709 -7.371 151 HD2 LYS 30 HD2 LYS 30 -13.217 0.428 -9.213 152 HD3 LYS 30 HD1 LYS 30 -11.463 0.573 -9.298 153 HE2 LYS 30 HE2 LYS 30 -12.417 0.101 -11.459 154 HE3 LYS 30 HE1 LYS 30 -11.386 -1.207 -10.927 155 HZ1 LYS 30 HZ1 LYS 30 -13.427 -2.044 -11.915 156 HZ2 LYS 30 HZ2 LYS 30 -14.351 -1.186 -10.791 157 HZ3 LYS 30 HZ3 LYS 30 -13.356 -2.450 -10.276 158 H LYS 31 HN LYS 31 -8.139 -2.662 -8.133 159 HA LYS 31 HA LYS 31 -7.715 -5.115 -9.444 160 HB2 LYS 31 HB2 LYS 31 -5.747 -3.187 -8.214 161 HB3 LYS 31 HB1 LYS 31 -5.313 -4.516 -9.281 162 HG2 LYS 31 HG2 LYS 31 -6.366 -3.526 -11.127 163 HG3 LYS 31 HG1 LYS 31 -7.252 -2.386 -10.114 164 HD2 LYS 31 HD2 LYS 31 -5.403 -1.296 -11.281 165 HD3 LYS 31 HD1 LYS 31 -5.170 -1.267 -9.534 166 HE2 LYS 31 HE2 LYS 31 -3.691 -3.238 -9.749 167 HE3 LYS 31 HE1 LYS 31 -3.859 -3.136 -11.501 168 HZ1 LYS 31 HZ1 LYS 31 -1.827 -2.064 -10.710 169 HZ2 LYS 31 HZ2 LYS 31 -2.741 -0.994 -9.771 170 HZ3 LYS 31 HZ3 LYS 31 -2.859 -0.954 -11.456 171 H ARG 32 HN ARG 32 -7.083 -4.024 -6.170 172 HA ARG 32 HA ARG 32 -5.828 -6.378 -5.237 173 HB2 ARG 32 HB2 ARG 32 -7.230 -4.127 -3.845 174 HB3 ARG 32 HB1 ARG 32 -6.447 -5.424 -2.969 175 HG2 ARG 32 HG2 ARG 32 -4.316 -4.837 -3.921 176 HG3 ARG 32 HG1 ARG 32 -5.071 -3.617 -4.946 177 HD2 ARG 32 HD2 ARG 32 -4.106 -2.447 -3.147 178 HD3 ARG 32 HD1 ARG 32 -5.835 -2.494 -2.821 179 HE ARG 32 HE ARG 32 -4.916 -4.636 -1.462 180 HH11 ARG 32 HH11 ARG 32 -3.898 -1.287 -1.565 181 HH12 ARG 32 HH12 ARG 32 -3.328 -1.266 0.074 182 HH21 ARG 32 HH21 ARG 32 -4.151 -4.631 0.686 183 HH22 ARG 32 HH22 ARG 32 -3.436 -3.186 1.351 184 H ARG 33 HN ARG 33 -9.168 -5.271 -5.262 185 HA ARG 33 HA ARG 33 -10.278 -7.472 -3.862 186 HB2 ARG 33 HB2 ARG 33 -11.477 -5.374 -4.087 187 HB3 ARG 33 HB1 ARG 33 -11.501 -5.538 -5.834 188 HG2 ARG 33 HG2 ARG 33 -13.093 -7.246 -5.766 189 HG3 ARG 33 HG1 ARG 33 -12.821 -7.560 -4.051 190 HD2 ARG 33 HD2 ARG 33 -13.781 -5.452 -3.461 191 HD3 ARG 33 HD1 ARG 33 -13.974 -5.003 -5.151 192 HE ARG 33 HE ARG 33 -15.358 -7.368 -4.079 193 HH11 ARG 33 HH11 ARG 33 -15.484 -4.170 -5.493 194 HH12 ARG 33 HH12 ARG 33 -17.187 -4.239 -5.810 195 HH21 ARG 33 HH21 ARG 33 -17.600 -7.461 -4.501 196 HH22 ARG 33 HH22 ARG 33 -18.391 -6.109 -5.247 197 H GLU 34 HN GLU 34 -9.584 -6.850 -7.240 198 HA GLU 34 HA GLU 34 -10.828 -9.094 -8.366 199 HB2 GLU 34 HB2 GLU 34 -9.885 -7.168 -9.628 200 HB3 GLU 34 HB1 GLU 34 -8.270 -7.742 -9.244 201 HG2 GLU 34 HG2 GLU 34 -8.759 -9.828 -10.467 202 HG3 GLU 34 HG1 GLU 34 -10.331 -9.163 -10.913 203 H SER 35 HN SER 35 -7.642 -8.648 -6.920 204 HA SER 35 HA SER 35 -6.627 -11.218 -7.497 205 HB2 SER 35 HB2 SER 35 -5.887 -9.370 -5.217 206 HB3 SER 35 HB1 SER 35 -4.904 -10.685 -5.861 207 HG SER 35 HG SER 35 -5.588 -9.117 -7.893 208 H ARG 36 HN ARG 36 -8.927 -10.137 -5.208 209 HA ARG 36 HA ARG 36 -8.689 -12.620 -3.663 210 HB2 ARG 36 HB2 ARG 36 -9.910 -9.957 -3.112 211 HB3 ARG 36 HB1 ARG 36 -10.551 -11.354 -2.278 212 HG2 ARG 36 HG2 ARG 36 -8.999 -10.737 -0.751 213 HG3 ARG 36 HG1 ARG 36 -7.959 -11.732 -1.777 214 HD2 ARG 36 HD2 ARG 36 -7.443 -9.622 -3.052 215 HD3 ARG 36 HD1 ARG 36 -8.257 -8.750 -1.769 216 HE ARG 36 HE ARG 36 -6.467 -10.178 -0.388 217 HH11 ARG 36 HH11 ARG 36 -6.141 -8.201 -3.257 218 HH12 ARG 36 HH12 ARG 36 -4.504 -7.728 -2.906 219 HH21 ARG 36 HH21 ARG 36 -4.308 -9.579 0.069 220 HH22 ARG 36 HH22 ARG 36 -3.461 -8.526 -1.019 221 H GLY 37 HN GLY 37 -9.981 -11.910 -6.423 222 HA2 GLY 37 HA2 GLY 37 -11.719 -12.737 -7.663 223 HA3 GLY 37 HA1 GLY 37 -11.959 -13.906 -6.374 224 H GLY 38 HN GLY 38 -12.144 -10.451 -5.881 225 HA2 GLY 38 HA2 GLY 38 -14.059 -9.086 -5.778 226 HA3 GLY 38 HA1 GLY 38 -15.063 -10.514 -5.913 227 H LYS 39 HN LYS 39 -13.293 -11.778 -3.778 228 HA LYS 39 HA LYS 39 -14.944 -11.001 -1.564 229 HB2 LYS 39 HB2 LYS 39 -12.817 -13.050 -1.932 230 HB3 LYS 39 HB1 LYS 39 -13.541 -12.721 -0.357 231 HG2 LYS 39 HG2 LYS 39 -15.768 -13.099 -1.368 232 HG3 LYS 39 HG1 LYS 39 -14.953 -13.599 -2.846 233 HD2 LYS 39 HD2 LYS 39 -14.567 -14.834 -0.146 234 HD3 LYS 39 HD1 LYS 39 -15.616 -15.485 -1.401 235 HE2 LYS 39 HE2 LYS 39 -13.686 -15.763 -2.875 236 HE3 LYS 39 HE1 LYS 39 -12.636 -15.081 -1.637 237 HZ1 LYS 39 HZ1 LYS 39 -12.546 -17.497 -1.666 238 HZ2 LYS 39 HZ2 LYS 39 -14.205 -17.586 -1.368 239 HZ3 LYS 39 HZ3 LYS 39 -13.170 -16.937 -0.198 240 H TYR 40 HN TYR 40 -13.922 -8.741 -1.864 241 HA TYR 40 HA TYR 40 -11.912 -8.328 0.188 242 HB2 TYR 40 HB2 TYR 40 -10.723 -8.745 -2.030 243 HB3 TYR 40 HB1 TYR 40 -11.451 -7.243 -2.572 244 HD1 TYR 40 HD2 TYR 40 -9.581 -8.447 0.413 245 HD2 TYR 40 HD1 TYR 40 -10.045 -5.416 -2.526 246 HE1 TYR 40 HE2 TYR 40 -7.695 -7.227 1.385 247 HE2 TYR 40 HE1 TYR 40 -8.145 -4.180 -1.571 248 HH TYR 40 HH TYR 40 -6.949 -4.032 0.610 249 H SER 41 HN SER 41 -13.438 -7.018 1.299 250 HA SER 41 HA SER 41 -15.005 -5.155 -0.229 251 HB2 SER 41 HB2 SER 41 -15.820 -4.323 1.952 252 HB3 SER 41 HB1 SER 41 -16.040 -6.029 1.722 253 HG SER 41 HG SER 41 -13.932 -6.194 2.928 254 H ILE 42 HN ILE 42 -15.174 -2.902 0.654 255 HA ILE 42 HA ILE 42 -12.814 -1.563 0.128 256 HB ILE 42 HB ILE 42 -15.249 -0.721 0.105 257 HG12 ILE 42 HG12 ILE 42 -14.360 1.653 0.747 258 HG13 ILE 42 HG11 ILE 42 -12.837 0.807 0.979 259 HG21 ILE 42 HG21 ILE 42 -14.505 -0.029 2.941 260 HG22 ILE 42 HG22 ILE 42 -15.750 -1.182 2.447 261 HG23 ILE 42 HG23 ILE 42 -15.938 0.533 2.076 262 HD11 ILE 42 HD11 ILE 42 -14.372 0.693 -1.571 263 HD12 ILE 42 HD12 ILE 42 -12.709 0.182 -1.268 264 HD13 ILE 42 HD13 ILE 42 -13.127 1.894 -1.233 265 H ASP 43 HN ASP 43 -14.223 -2.723 3.100 266 HA ASP 43 HA ASP 43 -12.582 -1.309 4.899 267 HB2 ASP 43 HB2 ASP 43 -14.183 -3.830 5.118 268 HB3 ASP 43 HB1 ASP 43 -13.255 -3.223 6.472 269 H ASP 44 HN ASP 44 -12.280 -4.480 3.370 270 HA ASP 44 HA ASP 44 -9.989 -5.347 4.751 271 HB2 ASP 44 HB2 ASP 44 -10.832 -5.957 1.904 272 HB3 ASP 44 HB1 ASP 44 -9.590 -6.814 2.790 273 H TYR 45 HN TYR 45 -10.466 -3.257 2.008 274 HA TYR 45 HA TYR 45 -7.670 -2.871 1.492 275 HB2 TYR 45 HB2 TYR 45 -9.263 -2.585 -0.313 276 HB3 TYR 45 HB1 TYR 45 -10.125 -1.352 0.594 277 HD1 TYR 45 HD2 TYR 45 -6.921 -2.091 -1.116 278 HD2 TYR 45 HD1 TYR 45 -9.488 0.911 0.471 279 HE1 TYR 45 HE2 TYR 45 -5.528 -0.359 -2.184 280 HE2 TYR 45 HE1 TYR 45 -8.091 2.659 -0.595 281 HH TYR 45 HH TYR 45 -5.867 2.988 -1.460 282 H LEU 46 HN LEU 46 -10.242 -1.064 3.098 283 HA LEU 46 HA LEU 46 -8.798 1.280 3.619 284 HB2 LEU 46 HB2 LEU 46 -11.146 0.068 5.077 285 HB3 LEU 46 HB1 LEU 46 -10.546 1.682 5.357 286 HG LEU 46 HG LEU 46 -11.715 0.673 2.777 287 HD11 LEU 46 HD11 LEU 46 -13.366 1.004 4.557 288 HD12 LEU 46 HD12 LEU 46 -13.540 2.201 3.275 289 HD13 LEU 46 HD13 LEU 46 -12.771 2.647 4.797 290 HD21 LEU 46 HD21 LEU 46 -11.556 3.008 2.061 291 HD22 LEU 46 HD22 LEU 46 -9.971 2.295 2.364 292 HD23 LEU 46 HD23 LEU 46 -10.687 3.393 3.545 293 H ALA 47 HN ALA 47 -9.276 -1.611 5.659 294 HA ALA 47 HA ALA 47 -7.973 -0.581 7.940 295 HB1 ALA 47 HB1 ALA 47 -9.400 -2.567 8.012 296 HB2 ALA 47 HB2 ALA 47 -7.801 -2.905 8.674 297 HB3 ALA 47 HB3 ALA 47 -8.219 -3.456 7.051 298 H ASP 48 HN ASP 48 -6.750 -2.268 5.105 299 HA ASP 48 HA ASP 48 -4.047 -2.315 6.107 300 HB2 ASP 48 HB2 ASP 48 -4.903 -4.025 4.507 301 HB3 ASP 48 HB1 ASP 48 -5.035 -2.767 3.282 302 H ARG 49 HN ARG 49 -5.996 -0.367 3.947 303 HA ARG 49 HA ARG 49 -4.093 1.387 2.925 304 HB2 ARG 49 HB2 ARG 49 -6.477 1.263 2.237 305 HB3 ARG 49 HB1 ARG 49 -6.913 2.065 3.741 306 HG2 ARG 49 HG2 ARG 49 -5.570 3.986 3.097 307 HG3 ARG 49 HG1 ARG 49 -5.170 3.195 1.573 308 HD2 ARG 49 HD2 ARG 49 -7.597 3.104 1.093 309 HD3 ARG 49 HD1 ARG 49 -7.874 4.098 2.517 310 HE ARG 49 HE ARG 49 -6.501 4.922 0.046 311 HH11 ARG 49 HH11 ARG 49 -7.749 5.737 3.219 312 HH12 ARG 49 HH12 ARG 49 -7.753 7.445 2.920 313 HH21 ARG 49 HH21 ARG 49 -6.494 7.176 -0.342 314 HH22 ARG 49 HH22 ARG 49 -7.032 8.268 0.893 315 H GLU 50 HN GLU 50 -5.966 1.492 5.927 316 HA GLU 50 HA GLU 50 -5.079 3.821 7.096 317 HB2 GLU 50 HB2 GLU 50 -5.701 1.123 8.311 318 HB3 GLU 50 HB1 GLU 50 -5.360 2.550 9.283 319 HG2 GLU 50 HG2 GLU 50 -7.554 2.446 7.239 320 HG3 GLU 50 HG1 GLU 50 -7.783 1.988 8.925 321 H ARG 51 HN ARG 51 -3.544 0.640 7.076 322 HA ARG 51 HA ARG 51 -1.244 1.381 8.533 323 HB2 ARG 51 HB2 ARG 51 -1.641 -0.812 6.528 324 HB3 ARG 51 HB1 ARG 51 -0.232 -0.641 7.569 325 HG2 ARG 51 HG2 ARG 51 -2.111 -0.569 9.435 326 HG3 ARG 51 HG1 ARG 51 -2.972 -1.503 8.213 327 HD2 ARG 51 HD2 ARG 51 -0.939 -2.955 8.054 328 HD3 ARG 51 HD1 ARG 51 -0.325 -2.104 9.467 329 HE ARG 51 HE ARG 51 -2.565 -2.919 10.491 330 HH11 ARG 51 HH11 ARG 51 -0.551 -4.682 8.229 331 HH12 ARG 51 HH12 ARG 51 -1.048 -6.240 8.805 332 HH21 ARG 51 HH21 ARG 51 -3.229 -4.974 11.240 333 HH22 ARG 51 HH22 ARG 51 -2.573 -6.406 10.517 334 H GLU 52 HN GLU 52 -1.986 1.218 5.108 335 HA GLU 52 HA GLU 52 0.553 1.671 4.097 336 HB2 GLU 52 HB2 GLU 52 -2.057 2.516 2.862 337 HB3 GLU 52 HB1 GLU 52 -0.519 2.349 2.024 338 HG2 GLU 52 HG2 GLU 52 -0.525 -0.052 2.752 339 HG3 GLU 52 HG1 GLU 52 -2.180 0.194 3.267 340 H GLU 53 HN GLU 53 -1.899 4.010 5.101 341 HA GLU 53 HA GLU 53 -0.611 6.271 4.028 342 HB2 GLU 53 HB2 GLU 53 -2.592 6.031 6.282 343 HB3 GLU 53 HB1 GLU 53 -2.036 7.568 5.633 344 HG2 GLU 53 HG2 GLU 53 -2.831 6.697 3.368 345 HG3 GLU 53 HG1 GLU 53 -3.679 5.454 4.289 346 H GLU 54 HN GLU 54 -0.176 4.602 7.100 347 HA GLU 54 HA GLU 54 1.609 6.692 8.041 348 HB2 GLU 54 HB2 GLU 54 1.867 5.372 10.054 349 HB3 GLU 54 HB1 GLU 54 0.161 5.488 9.651 350 HG2 GLU 54 HG2 GLU 54 0.232 3.239 8.705 351 HG3 GLU 54 HG1 GLU 54 1.942 3.125 9.109 352 H LEU 55 HN LEU 55 1.737 3.877 6.190 353 HA LEU 55 HA LEU 55 4.568 3.392 6.657 354 HB2 LEU 55 HB2 LEU 55 2.620 2.047 4.777 355 HB3 LEU 55 HB1 LEU 55 4.277 1.538 5.053 356 HG LEU 55 HG LEU 55 2.098 1.558 7.147 357 HD11 LEU 55 HD11 LEU 55 3.342 -0.760 5.675 358 HD12 LEU 55 HD12 LEU 55 1.718 -0.125 5.409 359 HD13 LEU 55 HD13 LEU 55 2.133 -0.859 6.957 360 HD21 LEU 55 HD21 LEU 55 3.712 0.267 8.477 361 HD22 LEU 55 HD22 LEU 55 4.283 1.897 8.128 362 HD23 LEU 55 HD23 LEU 55 4.930 0.525 7.229 363 H LEU 56 HN LEU 56 2.766 5.470 4.827 364 HA LEU 56 HA LEU 56 4.183 5.496 2.377 365 HB2 LEU 56 HB2 LEU 56 2.656 7.668 3.811 366 HB3 LEU 56 HB1 LEU 56 3.297 7.837 2.193 367 HG LEU 56 HG LEU 56 1.180 5.869 3.061 368 HD11 LEU 56 HD11 LEU 56 -0.307 7.212 1.658 369 HD12 LEU 56 HD12 LEU 56 1.008 8.347 1.353 370 HD13 LEU 56 HD13 LEU 56 0.366 8.160 2.985 371 HD21 LEU 56 HD21 LEU 56 0.968 5.379 0.665 372 HD22 LEU 56 HD22 LEU 56 2.551 4.931 1.297 373 HD23 LEU 56 HD23 LEU 56 2.367 6.402 0.341 374 H GLU 57 HN GLU 57 4.363 7.706 5.135 375 HA GLU 57 HA GLU 57 6.772 8.925 4.248 376 HB2 GLU 57 HB2 GLU 57 6.725 9.836 6.671 377 HB3 GLU 57 HB1 GLU 57 5.475 10.344 5.545 378 HG2 GLU 57 HG2 GLU 57 3.913 8.782 6.513 379 HG3 GLU 57 HG1 GLU 57 5.169 8.141 7.574 380 H ARG 58 HN ARG 58 8.260 7.255 3.972 381 HA ARG 58 HA ARG 58 9.046 5.804 6.388 382 HB2 ARG 58 HB2 ARG 58 9.718 5.304 3.488 383 HB3 ARG 58 HB1 ARG 58 10.356 4.361 4.828 384 HG2 ARG 58 HG2 ARG 58 7.993 3.819 5.452 385 HG3 ARG 58 HG1 ARG 58 7.492 4.582 3.942 386 HD2 ARG 58 HD2 ARG 58 9.341 2.219 4.220 387 HD3 ARG 58 HD1 ARG 58 7.664 2.166 3.689 388 HE ARG 58 HE ARG 58 8.642 3.779 1.862 389 HH11 ARG 58 HH11 ARG 58 10.111 0.911 3.219 390 HH12 ARG 58 HH12 ARG 58 10.948 0.488 1.760 391 HH21 ARG 58 HH21 ARG 58 9.769 3.233 -0.073 392 HH22 ARG 58 HH22 ARG 58 10.754 1.804 -0.104 393 H ASP 59 HN ASP 59 9.752 8.488 6.333 394 HA ASP 59 HA ASP 59 11.515 9.773 6.982 395 HB2 ASP 59 HB2 ASP 59 11.997 7.823 8.394 396 HB3 ASP 59 HB1 ASP 59 12.951 7.114 7.100 397 H GLU 60 HN GLU 60 13.499 7.370 5.305 398 HA GLU 60 HA GLU 60 14.981 9.430 3.997 399 HB2 GLU 60 HB2 GLU 60 15.149 6.477 4.190 400 HB3 GLU 60 HB1 GLU 60 15.945 7.245 2.822 401 HG2 GLU 60 HG2 GLU 60 16.413 7.975 5.703 402 HG3 GLU 60 HG1 GLU 60 17.430 6.887 4.759 403 H GLU 61 HN GLU 61 12.120 7.875 3.159 404 HA GLU 61 HA GLU 61 12.154 7.406 0.480 405 HB2 GLU 61 HB2 GLU 61 10.113 7.148 1.734 406 HB3 GLU 61 HB1 GLU 61 10.039 8.876 2.058 407 HG2 GLU 61 HG2 GLU 61 9.796 9.265 -0.382 408 HG3 GLU 61 HG1 GLU 61 9.707 7.520 -0.606 409 H GLU 62 HN GLU 62 11.822 10.592 1.999 410 HA GLU 62 HA GLU 62 13.097 11.788 -0.308 411 HB2 GLU 62 HB2 GLU 62 10.681 11.843 -0.843 412 HB3 GLU 62 HB1 GLU 62 10.396 12.743 0.637 413 HG2 GLU 62 HG2 GLU 62 11.842 14.548 -0.221 414 HG3 GLU 62 HG1 GLU 62 12.011 13.653 -1.731 415 H ALA 63 HN ALA 63 11.137 13.273 2.259 416 HA ALA 63 HA ALA 63 13.529 14.089 3.687 417 HB1 ALA 63 HB1 ALA 63 13.403 15.765 1.942 418 HB2 ALA 63 HB2 ALA 63 13.006 16.485 3.504 419 HB3 ALA 63 HB3 ALA 63 11.722 16.101 2.356 420 H ILE 64 HN ILE 64 11.421 12.444 4.527 421 HA ILE 64 HA ILE 64 9.716 14.171 6.159 422 HB ILE 64 HB ILE 64 9.548 11.173 6.153 423 HG12 ILE 64 HG12 ILE 64 7.542 11.771 4.515 424 HG13 ILE 64 HG11 ILE 64 8.605 13.100 4.079 425 HG21 ILE 64 HG21 ILE 64 7.181 11.696 6.725 426 HG22 ILE 64 HG22 ILE 64 7.618 13.402 6.772 427 HG23 ILE 64 HG23 ILE 64 8.353 12.272 7.909 428 HD11 ILE 64 HD11 ILE 64 8.840 11.142 2.608 429 HD12 ILE 64 HD12 ILE 64 9.379 10.195 3.991 430 HD13 ILE 64 HD13 ILE 64 10.337 11.565 3.432 431 H PHE 65 HN PHE 65 11.896 14.691 7.223 432 HA PHE 65 HA PHE 65 11.937 13.385 9.755 433 HB2 PHE 65 HB2 PHE 65 14.337 12.665 9.637 434 HB3 PHE 65 HB1 PHE 65 13.242 11.713 8.635 435 HD1 PHE 65 HD2 PHE 65 13.300 11.884 6.223 436 HD2 PHE 65 HD1 PHE 65 16.045 14.051 8.646 437 HE1 PHE 65 HE2 PHE 65 14.720 12.276 4.256 438 HE2 PHE 65 HE1 PHE 65 17.473 14.448 6.683 439 HZ PHE 65 HZ PHE 65 16.810 13.562 4.483 440 H GLY 66 HN GLY 66 11.741 16.060 8.452 441 HA2 GLY 66 HA2 GLY 66 13.715 17.392 10.167 442 HA3 GLY 66 HA1 GLY 66 13.611 17.863 8.476 443 H ASP 67 HN ASP 67 13.059 19.999 9.164 444 HA ASP 67 HA ASP 67 10.607 20.426 10.615 445 HB2 ASP 67 HB2 ASP 67 11.095 22.714 10.515 446 HB3 ASP 67 HB1 ASP 67 12.688 21.969 10.547 447 H GLY 68 HN GLY 68 11.367 19.607 7.496 448 HA2 GLY 68 HA2 GLY 68 8.708 19.740 6.577 449 HA3 GLY 68 HA1 GLY 68 9.638 21.068 5.889 450 H PHE 69 HN PHE 69 9.038 19.837 3.874 451 HA PHE 69 HA PHE 69 10.906 17.616 3.435 452 HB2 PHE 69 HB2 PHE 69 9.502 17.115 1.414 453 HB3 PHE 69 HB1 PHE 69 8.669 16.919 2.950 454 HD1 PHE 69 HD2 PHE 69 8.931 18.927 -0.097 455 HD2 PHE 69 HD1 PHE 69 6.852 18.367 3.569 456 HE1 PHE 69 HE2 PHE 69 7.134 20.407 -0.897 457 HE2 PHE 69 HE1 PHE 69 5.051 19.843 2.780 458 HZ PHE 69 HZ PHE 69 5.190 20.866 0.544 459 H GLY 70 HN GLY 70 11.336 20.611 3.367 460 HA2 GLY 70 HA2 GLY 70 11.968 21.117 0.575 461 HA3 GLY 70 HA1 GLY 70 12.189 22.233 1.915 462 H LEU 71 HN LEU 71 13.403 18.991 1.091 463 HA LEU 71 HA LEU 71 15.984 19.599 2.214 464 HB2 LEU 71 HB2 LEU 71 14.742 17.329 2.166 465 HB3 LEU 71 HB1 LEU 71 15.329 17.197 0.523 466 HG LEU 71 HG LEU 71 17.147 17.533 2.912 467 HD11 LEU 71 HD11 LEU 71 16.309 15.014 1.487 468 HD12 LEU 71 HD12 LEU 71 15.904 15.466 3.143 469 HD13 LEU 71 HD13 LEU 71 17.580 15.130 2.705 470 HD21 LEU 71 HD21 LEU 71 18.874 16.724 1.391 471 HD22 LEU 71 HD22 LEU 71 18.127 18.197 0.773 472 HD23 LEU 71 HD23 LEU 71 17.693 16.633 0.085 473 H LYS 72 HN LYS 72 15.091 18.381 -1.019 474 HA LYS 72 HA LYS 72 17.361 19.859 -2.118 475 HB2 LYS 72 HB2 LYS 72 17.101 17.444 -2.675 476 HB3 LYS 72 HB1 LYS 72 15.575 17.821 -3.459 477 HG2 LYS 72 HG2 LYS 72 17.336 17.582 -5.099 478 HG3 LYS 72 HG1 LYS 72 16.754 19.247 -5.063 479 HD2 LYS 72 HD2 LYS 72 18.666 19.864 -3.642 480 HD3 LYS 72 HD1 LYS 72 19.254 18.204 -3.733 481 HE2 LYS 72 HE2 LYS 72 18.855 20.033 -6.095 482 HE3 LYS 72 HE1 LYS 72 20.398 19.734 -5.300 483 HZ1 LYS 72 HZ1 LYS 72 20.172 18.370 -7.260 484 HZ2 LYS 72 HZ2 LYS 72 18.727 17.707 -6.684 485 HZ3 LYS 72 HZ3 LYS 72 20.181 17.385 -5.883 486 H ALA 73 HN ALA 73 13.889 19.406 -2.556 487 HA ALA 73 HA ALA 73 13.731 21.753 -4.272 488 HB1 ALA 73 HB1 ALA 73 12.383 19.798 -4.861 489 HB2 ALA 73 HB2 ALA 73 11.357 21.181 -4.481 490 HB3 ALA 73 HB3 ALA 73 11.563 19.887 -3.301 491 H THR 74 HN THR 74 14.216 23.455 -2.928 492 HA THR 74 HA THR 74 13.053 23.704 -0.314 493 HB THR 74 HB THR 74 14.162 25.962 -0.353 494 HG1 THR 74 HG1 THR 74 15.749 26.053 -2.220 495 HG21 THR 74 HG21 THR 74 15.893 23.596 -1.085 496 HG22 THR 74 HG22 THR 74 15.317 23.995 0.532 497 HG23 THR 74 HG23 THR 74 16.448 25.068 -0.291 498 H ARG 75 HN ARG 75 12.618 25.285 -3.458 499 HA ARG 75 HA ARG 75 10.986 26.632 -4.293 500 HB2 ARG 75 HB2 ARG 75 9.265 25.143 -2.300 501 HB3 ARG 75 HB1 ARG 75 8.673 26.076 -3.666 502 HG2 ARG 75 HG2 ARG 75 9.702 24.550 -5.217 503 HG3 ARG 75 HG1 ARG 75 10.444 23.655 -3.891 504 HD2 ARG 75 HD2 ARG 75 8.209 23.073 -3.055 505 HD3 ARG 75 HD1 ARG 75 7.487 23.941 -4.409 506 HE ARG 75 HE ARG 75 9.176 22.138 -5.572 507 HH11 ARG 75 HH11 ARG 75 6.505 21.910 -3.325 508 HH12 ARG 75 HH12 ARG 75 6.021 20.333 -3.862 509 HH21 ARG 75 HH21 ARG 75 8.540 20.060 -6.283 510 HH22 ARG 75 HH22 ARG 75 7.172 19.286 -5.547 511 H ARG 76 HN ARG 76 12.334 28.247 -3.035 512 HA ARG 76 HA ARG 76 10.965 29.445 -0.763 513 HB2 ARG 76 HB2 ARG 76 13.558 30.195 -2.126 514 HB3 ARG 76 HB1 ARG 76 12.929 30.938 -0.663 515 HG2 ARG 76 HG2 ARG 76 13.713 28.046 -0.959 516 HG3 ARG 76 HG1 ARG 76 14.672 29.302 -0.172 517 HD2 ARG 76 HD2 ARG 76 12.957 29.621 1.496 518 HD3 ARG 76 HD1 ARG 76 11.901 28.479 0.669 519 HE ARG 76 HE ARG 76 14.486 27.527 1.644 520 HH11 ARG 76 HH11 ARG 76 11.006 27.605 1.940 521 HH12 ARG 76 HH12 ARG 76 10.938 26.245 3.012 522 HH21 ARG 76 HH21 ARG 76 14.405 25.715 3.031 523 HH22 ARG 76 HH22 ARG 76 12.870 25.157 3.621 524 H SER 77 HN SER 77 12.070 30.382 -4.004 525 HA SER 77 HA SER 77 10.475 32.797 -3.882 526 HB2 SER 77 HB2 SER 77 11.401 33.098 -6.241 527 HB3 SER 77 HB1 SER 77 12.584 33.086 -4.935 528 HG SER 77 HG SER 77 11.957 31.002 -6.756 529 H ARG 78 HN ARG 78 8.575 31.308 -3.551 530 HA ARG 78 HA ARG 78 7.593 29.773 -5.745 531 HB2 ARG 78 HB2 ARG 78 6.207 30.833 -3.278 532 HB3 ARG 78 HB1 ARG 78 5.477 29.714 -4.421 533 HG2 ARG 78 HG2 ARG 78 7.116 28.034 -3.899 534 HG3 ARG 78 HG1 ARG 78 7.990 29.161 -2.860 535 HD2 ARG 78 HD2 ARG 78 5.164 28.205 -2.411 536 HD3 ARG 78 HD1 ARG 78 6.592 27.589 -1.580 537 HE ARG 78 HE ARG 78 6.176 30.446 -1.366 538 HH11 ARG 78 HH11 ARG 78 5.588 27.304 0.061 539 HH12 ARG 78 HH12 ARG 78 5.329 27.936 1.655 540 HH21 ARG 78 HH21 ARG 78 5.841 31.282 0.727 541 HH22 ARG 78 HH22 ARG 78 5.483 30.202 2.037 542 H LYS 79 HN LYS 79 7.243 33.066 -4.668 543 HA LYS 79 HA LYS 79 5.053 33.673 -6.419 544 HB2 LYS 79 HB2 LYS 79 5.468 34.862 -4.277 545 HB3 LYS 79 HB1 LYS 79 6.926 35.553 -4.973 546 HG2 LYS 79 HG2 LYS 79 5.665 36.800 -6.564 547 HG3 LYS 79 HG1 LYS 79 4.176 35.971 -6.114 548 HD2 LYS 79 HD2 LYS 79 5.791 37.699 -4.243 549 HD3 LYS 79 HD1 LYS 79 4.391 38.263 -5.158 550 HE2 LYS 79 HE2 LYS 79 2.985 36.610 -4.041 551 HE3 LYS 79 HE1 LYS 79 4.380 36.009 -3.149 552 HZ1 LYS 79 HZ1 LYS 79 2.966 37.552 -1.873 553 HZ2 LYS 79 HZ2 LYS 79 3.359 38.788 -2.958 554 HZ3 LYS 79 HZ3 LYS 79 4.565 38.080 -2.011 555 H ALA 80 HN ALA 80 8.480 33.537 -6.706 556 HA ALA 80 HA ALA 80 8.765 35.157 -9.019 557 HB1 ALA 80 HB1 ALA 80 10.876 33.986 -9.361 558 HB2 ALA 80 HB2 ALA 80 10.414 32.777 -8.166 559 HB3 ALA 80 HB3 ALA 80 10.689 34.444 -7.670 560 H GLU 81 HN GLU 81 8.091 31.749 -8.473 561 HA GLU 81 HA GLU 81 7.837 31.028 -11.209 562 HB2 GLU 81 HB2 GLU 81 8.182 29.356 -9.442 563 HB3 GLU 81 HB1 GLU 81 6.629 29.779 -8.733 564 HG2 GLU 81 HG2 GLU 81 5.541 29.058 -10.848 565 HG3 GLU 81 HG1 GLU 81 7.114 28.486 -11.403 566 H ARG 82 HN ARG 82 5.517 31.861 -8.671 567 HA ARG 82 HA ARG 82 3.287 31.875 -10.491 568 HB2 ARG 82 HB2 ARG 82 3.488 32.861 -7.636 569 HB3 ARG 82 HB1 ARG 82 1.998 32.624 -8.537 570 HG2 ARG 82 HG2 ARG 82 2.330 30.262 -8.604 571 HG3 ARG 82 HG1 ARG 82 3.950 30.422 -7.925 572 HD2 ARG 82 HD2 ARG 82 2.927 31.390 -5.878 573 HD3 ARG 82 HD1 ARG 82 1.339 31.044 -6.557 574 HE ARG 82 HE ARG 82 2.359 28.631 -6.645 575 HH11 ARG 82 HH11 ARG 82 2.720 31.014 -4.109 576 HH12 ARG 82 HH12 ARG 82 2.878 29.833 -2.850 577 HH21 ARG 82 HH21 ARG 82 2.593 27.074 -4.985 578 HH22 ARG 82 HH22 ARG 82 2.812 27.597 -3.344 579 H ALA 83 HN ALA 83 4.384 33.407 -11.963 580 HA ALA 83 HA ALA 83 4.705 36.137 -11.037 581 HB1 ALA 83 HB1 ALA 83 5.083 34.993 -13.801 582 HB2 ALA 83 HB2 ALA 83 6.340 35.127 -12.571 583 HB3 ALA 83 HB3 ALA 83 5.603 36.582 -13.240 584 H LYS 84 HN LYS 84 2.081 34.458 -11.743 585 HA LYS 84 HA LYS 84 0.790 36.587 -13.298 586 HB2 LYS 84 HB2 LYS 84 0.603 34.277 -14.180 587 HB3 LYS 84 HB1 LYS 84 -0.200 33.792 -12.697 588 HG2 LYS 84 HG2 LYS 84 -1.835 34.125 -14.415 589 HG3 LYS 84 HG1 LYS 84 -2.013 35.386 -13.195 590 HD2 LYS 84 HD2 LYS 84 -0.865 36.971 -14.601 591 HD3 LYS 84 HD1 LYS 84 -0.513 35.714 -15.789 592 HE2 LYS 84 HE2 LYS 84 -2.929 35.425 -16.160 593 HE3 LYS 84 HE1 LYS 84 -3.248 36.726 -15.014 594 HZ1 LYS 84 HZ1 LYS 84 -3.311 37.501 -17.303 595 HZ2 LYS 84 HZ2 LYS 84 -1.716 36.997 -17.543 596 HZ3 LYS 84 HZ3 LYS 84 -2.053 38.242 -16.454 597 H LEU 85 HN LEU 85 -0.318 34.301 -10.811 598 HA LEU 85 HA LEU 85 -1.679 34.515 -9.022 599 HB2 LEU 85 HB2 LEU 85 -0.379 37.233 -8.873 600 HB3 LEU 85 HB1 LEU 85 -1.405 36.564 -7.620 601 HG LEU 85 HG LEU 85 1.234 35.405 -8.530 602 HD11 LEU 85 HD11 LEU 85 0.474 36.860 -6.000 603 HD12 LEU 85 HD12 LEU 85 1.505 37.482 -7.288 604 HD13 LEU 85 HD13 LEU 85 2.033 36.101 -6.327 605 HD21 LEU 85 HD21 LEU 85 0.972 33.921 -6.582 606 HD22 LEU 85 HD22 LEU 85 -0.278 33.659 -7.797 607 HD23 LEU 85 HD23 LEU 85 -0.651 34.563 -6.329 Start of MODEL 17 1 H1 GLY 11 HT1 GLY 11 -23.049 -6.749 12.506 2 H2 GLY 11 HT2 GLY 11 -23.524 -6.578 14.119 3 H3 GLY 11 HT3 GLY 11 -21.964 -7.120 13.748 4 HA2 GLY 11 HA1 GLY 11 -23.056 -4.426 13.164 5 HA3 GLY 11 HA2 GLY 11 -21.912 -4.817 14.443 6 H ARG 12 HN ARG 12 -20.319 -3.484 13.669 7 HA ARG 12 HA ARG 12 -18.403 -2.992 12.612 8 HB2 ARG 12 HB2 ARG 12 -18.825 -5.687 11.397 9 HB3 ARG 12 HB1 ARG 12 -17.454 -4.674 10.970 10 HG2 ARG 12 HG2 ARG 12 -16.820 -4.600 13.350 11 HG3 ARG 12 HG1 ARG 12 -18.139 -5.717 13.705 12 HD2 ARG 12 HD2 ARG 12 -17.135 -7.405 12.286 13 HD3 ARG 12 HD1 ARG 12 -15.853 -6.285 11.826 14 HE ARG 12 HE ARG 12 -16.116 -6.855 14.664 15 HH11 ARG 12 HH11 ARG 12 -14.512 -7.600 11.651 16 HH12 ARG 12 HH12 ARG 12 -13.106 -8.276 12.412 17 HH21 ARG 12 HH21 ARG 12 -14.256 -7.751 15.678 18 HH22 ARG 12 HH22 ARG 12 -12.960 -8.356 14.696 19 HA PRO 13 HA PRO 13 -20.302 -1.119 9.023 20 HB2 PRO 13 HB2 PRO 13 -19.562 1.373 9.693 21 HB3 PRO 13 HB1 PRO 13 -20.932 0.563 10.454 22 HG2 PRO 13 HG2 PRO 13 -18.252 1.148 11.541 23 HG3 PRO 13 HG1 PRO 13 -19.783 0.905 12.393 24 HD2 PRO 13 HD2 PRO 13 -17.670 -0.992 12.019 25 HD3 PRO 13 HD1 PRO 13 -19.237 -1.250 12.807 26 H GLY 14 HN GLY 14 -19.306 0.603 7.507 27 HA2 GLY 14 HA2 GLY 14 -17.597 1.345 6.159 28 HA3 GLY 14 HA1 GLY 14 -16.457 0.783 7.370 29 H VAL 15 HN VAL 15 -18.842 -1.340 5.968 30 HA VAL 15 HA VAL 15 -16.736 -3.099 5.111 31 HB VAL 15 HB VAL 15 -18.563 -4.631 4.431 32 HG11 VAL 15 HG11 VAL 15 -17.666 -4.725 6.681 33 HG12 VAL 15 HG12 VAL 15 -19.403 -5.029 6.713 34 HG13 VAL 15 HG13 VAL 15 -18.776 -3.455 7.201 35 HG21 VAL 15 HG21 VAL 15 -20.871 -4.069 4.999 36 HG22 VAL 15 HG22 VAL 15 -20.228 -2.960 3.789 37 HG23 VAL 15 HG23 VAL 15 -20.365 -2.449 5.470 38 H PHE 16 HN PHE 16 -19.140 -1.052 3.501 39 HA PHE 16 HA PHE 16 -17.493 -1.298 1.100 40 HB2 PHE 16 HB2 PHE 16 -19.543 -1.194 -0.325 41 HB3 PHE 16 HB1 PHE 16 -19.343 -2.694 0.569 42 HD1 PHE 16 HD1 PHE 16 -21.081 0.587 0.741 43 HD2 PHE 16 HD2 PHE 16 -21.084 -3.523 1.807 44 HE1 PHE 16 HE1 PHE 16 -23.373 0.821 1.623 45 HE2 PHE 16 HE2 PHE 16 -23.368 -3.303 2.696 46 HZ PHE 16 HZ PHE 16 -24.515 -1.127 2.602 47 H ARG 17 HN ARG 17 -18.121 0.695 3.367 48 HA ARG 17 HA ARG 17 -19.019 3.025 1.963 49 HB2 ARG 17 HB2 ARG 17 -18.124 2.393 4.678 50 HB3 ARG 17 HB1 ARG 17 -17.583 3.968 4.121 51 HG2 ARG 17 HG2 ARG 17 -19.653 4.228 5.287 52 HG3 ARG 17 HG1 ARG 17 -19.929 4.532 3.573 53 HD2 ARG 17 HD2 ARG 17 -20.777 2.221 3.339 54 HD3 ARG 17 HD1 ARG 17 -20.577 1.999 5.078 55 HE ARG 17 HE ARG 17 -22.200 4.273 4.355 56 HH11 ARG 17 HH11 ARG 17 -22.175 0.864 5.126 57 HH12 ARG 17 HH12 ARG 17 -23.863 0.800 5.506 58 HH21 ARG 17 HH21 ARG 17 -24.423 4.207 4.873 59 HH22 ARG 17 HH22 ARG 17 -25.148 2.708 5.360 60 H THR 18 HN THR 18 -17.869 4.267 0.652 61 HA THR 18 HA THR 18 -15.347 3.362 -0.216 62 HB THR 18 HB THR 18 -15.360 5.434 -1.640 63 HG1 THR 18 HG1 THR 18 -17.186 6.747 -1.550 64 HG21 THR 18 HG21 THR 18 -17.282 4.717 -2.998 65 HG22 THR 18 HG22 THR 18 -17.856 3.730 -1.654 66 HG23 THR 18 HG23 THR 18 -16.326 3.344 -2.442 67 H ARG 19 HN ARG 19 -16.258 5.666 2.180 68 HA ARG 19 HA ARG 19 -15.057 6.870 3.682 69 HB2 ARG 19 HB2 ARG 19 -13.737 4.744 3.820 70 HB3 ARG 19 HB1 ARG 19 -12.636 5.406 2.622 71 HG2 ARG 19 HG2 ARG 19 -12.134 7.264 4.179 72 HG3 ARG 19 HG1 ARG 19 -13.150 6.476 5.388 73 HD2 ARG 19 HD2 ARG 19 -11.709 4.514 5.336 74 HD3 ARG 19 HD1 ARG 19 -10.710 5.266 4.090 75 HE ARG 19 HE ARG 19 -10.798 6.993 6.285 76 HH11 ARG 19 HH11 ARG 19 -9.605 3.790 5.527 77 HH12 ARG 19 HH12 ARG 19 -8.239 3.909 6.589 78 HH21 ARG 19 HH21 ARG 19 -9.016 7.133 7.709 79 HH22 ARG 19 HH22 ARG 19 -7.909 5.795 7.832 80 H GLY 20 HN GLY 20 -15.193 7.477 0.641 81 HA2 GLY 20 HA2 GLY 20 -14.681 9.403 -0.559 82 HA3 GLY 20 HA1 GLY 20 -13.559 9.869 0.713 83 H LEU 21 HN LEU 21 -13.575 6.764 -0.885 84 HA LEU 21 HA LEU 21 -10.831 6.867 -1.492 85 HB2 LEU 21 HB2 LEU 21 -12.925 4.964 -1.654 86 HB3 LEU 21 HB1 LEU 21 -12.161 5.035 -3.232 87 HG LEU 21 HG LEU 21 -9.956 4.749 -2.017 88 HD11 LEU 21 HD11 LEU 21 -10.082 3.641 0.172 89 HD12 LEU 21 HD12 LEU 21 -11.805 4.013 0.225 90 HD13 LEU 21 HD13 LEU 21 -10.621 5.319 0.199 91 HD21 LEU 21 HD21 LEU 21 -10.651 2.946 -3.266 92 HD22 LEU 21 HD22 LEU 21 -12.060 2.656 -2.255 93 HD23 LEU 21 HD23 LEU 21 -10.451 2.251 -1.656 94 H THR 22 HN THR 22 -9.874 8.038 -2.968 95 HA THR 22 HA THR 22 -11.252 9.241 -5.145 96 HB THR 22 HB THR 22 -8.947 9.928 -5.865 97 HG1 THR 22 HG1 THR 22 -7.236 9.411 -4.402 98 HG21 THR 22 HG21 THR 22 -8.538 11.378 -3.898 99 HG22 THR 22 HG22 THR 22 -9.694 10.413 -2.974 100 HG23 THR 22 HG23 THR 22 -10.237 11.346 -4.370 101 H ASP 23 HN ASP 23 -10.263 8.944 -7.452 102 HA ASP 23 HA ASP 23 -11.046 6.411 -8.297 103 HB2 ASP 23 HB2 ASP 23 -11.043 8.359 -9.785 104 HB3 ASP 23 HB1 ASP 23 -9.283 8.393 -9.756 105 H GLU 24 HN GLU 24 -7.790 7.682 -7.725 106 HA GLU 24 HA GLU 24 -6.367 5.441 -8.641 107 HB2 GLU 24 HB2 GLU 24 -5.666 7.521 -6.566 108 HB3 GLU 24 HB1 GLU 24 -4.536 6.296 -7.124 109 HG2 GLU 24 HG2 GLU 24 -5.861 8.356 -8.868 110 HG3 GLU 24 HG1 GLU 24 -4.217 8.450 -8.238 111 H GLU 25 HN GLU 25 -7.488 6.257 -5.349 112 HA GLU 25 HA GLU 25 -6.456 3.971 -4.069 113 HB2 GLU 25 HB2 GLU 25 -8.996 5.440 -3.355 114 HB3 GLU 25 HB1 GLU 25 -8.064 4.398 -2.304 115 HG2 GLU 25 HG2 GLU 25 -7.056 6.981 -3.451 116 HG3 GLU 25 HG1 GLU 25 -7.770 6.796 -1.847 117 H TYR 26 HN TYR 26 -9.608 4.642 -5.505 118 HA TYR 26 HA TYR 26 -10.778 2.154 -4.901 119 HB2 TYR 26 HB2 TYR 26 -12.027 4.215 -5.555 120 HB3 TYR 26 HB1 TYR 26 -11.447 3.990 -7.197 121 HD1 TYR 26 HD2 TYR 26 -13.486 2.416 -4.535 122 HD2 TYR 26 HD1 TYR 26 -12.531 2.521 -8.677 123 HE1 TYR 26 HE2 TYR 26 -15.360 0.908 -4.997 124 HE2 TYR 26 HE1 TYR 26 -14.394 1.013 -9.154 125 HH TYR 26 HH TYR 26 -15.752 -0.669 -7.984 126 H ASP 27 HN ASP 27 -8.757 3.244 -7.522 127 HA ASP 27 HA ASP 27 -9.148 1.008 -9.221 128 HB2 ASP 27 HB2 ASP 27 -8.145 3.055 -10.088 129 HB3 ASP 27 HB1 ASP 27 -6.815 2.921 -8.950 130 H GLU 28 HN GLU 28 -6.703 1.780 -6.762 131 HA GLU 28 HA GLU 28 -5.250 -0.615 -6.913 132 HB2 GLU 28 HB2 GLU 28 -4.589 1.470 -5.685 133 HB3 GLU 28 HB1 GLU 28 -5.790 1.078 -4.464 134 HG2 GLU 28 HG2 GLU 28 -3.651 0.416 -3.685 135 HG3 GLU 28 HG1 GLU 28 -4.588 -1.034 -4.028 136 H PHE 29 HN PHE 29 -8.047 0.366 -5.031 137 HA PHE 29 HA PHE 29 -8.526 -1.951 -3.570 138 HB2 PHE 29 HB2 PHE 29 -9.720 0.085 -3.111 139 HB3 PHE 29 HB1 PHE 29 -10.400 0.119 -4.731 140 HD1 PHE 29 HD1 PHE 29 -10.228 -2.366 -1.967 141 HD2 PHE 29 HD2 PHE 29 -12.636 -0.293 -4.782 142 HE1 PHE 29 HE1 PHE 29 -12.205 -3.550 -1.126 143 HE2 PHE 29 HE2 PHE 29 -14.626 -1.475 -3.952 144 HZ PHE 29 HZ PHE 29 -14.401 -3.104 -2.121 145 H LYS 30 HN LYS 30 -9.633 -1.087 -6.849 146 HA LYS 30 HA LYS 30 -11.155 -3.395 -7.307 147 HB2 LYS 30 HB2 LYS 30 -9.677 -1.604 -9.229 148 HB3 LYS 30 HB1 LYS 30 -10.734 -2.911 -9.746 149 HG2 LYS 30 HG2 LYS 30 -12.585 -1.842 -8.527 150 HG3 LYS 30 HG1 LYS 30 -11.517 -0.514 -8.123 151 HD2 LYS 30 HD2 LYS 30 -12.169 -1.372 -10.940 152 HD3 LYS 30 HD1 LYS 30 -13.011 -0.083 -10.080 153 HE2 LYS 30 HE2 LYS 30 -10.915 1.132 -9.846 154 HE3 LYS 30 HE1 LYS 30 -10.065 -0.152 -10.703 155 HZ1 LYS 30 HZ1 LYS 30 -11.525 0.305 -12.623 156 HZ2 LYS 30 HZ2 LYS 30 -10.529 1.606 -12.220 157 HZ3 LYS 30 HZ3 LYS 30 -12.165 1.632 -11.795 158 H LYS 31 HN LYS 31 -7.787 -2.658 -8.083 159 HA LYS 31 HA LYS 31 -7.102 -5.093 -9.270 160 HB2 LYS 31 HB2 LYS 31 -5.427 -3.134 -7.706 161 HB3 LYS 31 HB1 LYS 31 -4.770 -4.466 -8.647 162 HG2 LYS 31 HG2 LYS 31 -5.426 -3.516 -10.677 163 HG3 LYS 31 HG1 LYS 31 -6.556 -2.410 -9.894 164 HD2 LYS 31 HD2 LYS 31 -4.538 -1.258 -10.665 165 HD3 LYS 31 HD1 LYS 31 -4.704 -1.180 -8.912 166 HE2 LYS 31 HE2 LYS 31 -2.416 -1.644 -9.414 167 HE3 LYS 31 HE1 LYS 31 -3.141 -3.109 -8.750 168 HZ1 LYS 31 HZ1 LYS 31 -2.760 -2.588 -11.647 169 HZ2 LYS 31 HZ2 LYS 31 -3.323 -4.018 -10.945 170 HZ3 LYS 31 HZ3 LYS 31 -1.727 -3.527 -10.695 171 H ARG 32 HN ARG 32 -7.122 -4.064 -5.916 172 HA ARG 32 HA ARG 32 -5.992 -6.456 -4.877 173 HB2 ARG 32 HB2 ARG 32 -7.421 -4.133 -3.672 174 HB3 ARG 32 HB1 ARG 32 -6.988 -5.519 -2.693 175 HG2 ARG 32 HG2 ARG 32 -4.632 -5.205 -3.387 176 HG3 ARG 32 HG1 ARG 32 -5.120 -3.743 -4.242 177 HD2 ARG 32 HD2 ARG 32 -5.865 -2.757 -2.142 178 HD3 ARG 32 HD1 ARG 32 -5.404 -4.225 -1.280 179 HE ARG 32 HE ARG 32 -3.103 -3.570 -2.449 180 HH11 ARG 32 HH11 ARG 32 -5.341 -1.679 -0.544 181 HH12 ARG 32 HH12 ARG 32 -4.153 -0.497 -0.076 182 HH21 ARG 32 HH21 ARG 32 -1.529 -2.038 -1.814 183 HH22 ARG 32 HH22 ARG 32 -1.995 -0.695 -0.813 184 H ARG 33 HN ARG 33 -9.276 -5.319 -5.416 185 HA ARG 33 HA ARG 33 -10.534 -7.492 -4.083 186 HB2 ARG 33 HB2 ARG 33 -11.677 -5.371 -4.427 187 HB3 ARG 33 HB1 ARG 33 -11.603 -5.579 -6.165 188 HG2 ARG 33 HG2 ARG 33 -13.256 -7.176 -6.176 189 HG3 ARG 33 HG1 ARG 33 -12.983 -7.634 -4.497 190 HD2 ARG 33 HD2 ARG 33 -13.936 -5.582 -3.720 191 HD3 ARG 33 HD1 ARG 33 -14.093 -4.968 -5.361 192 HE ARG 33 HE ARG 33 -15.515 -7.432 -4.761 193 HH11 ARG 33 HH11 ARG 33 -15.635 -3.951 -5.095 194 HH12 ARG 33 HH12 ARG 33 -17.366 -3.892 -5.201 195 HH21 ARG 33 HH21 ARG 33 -17.800 -7.355 -4.918 196 HH22 ARG 33 HH22 ARG 33 -18.594 -5.824 -5.115 197 H GLU 34 HN GLU 34 -9.562 -6.912 -7.416 198 HA GLU 34 HA GLU 34 -10.611 -9.233 -8.579 199 HB2 GLU 34 HB2 GLU 34 -9.539 -7.345 -9.815 200 HB3 GLU 34 HB1 GLU 34 -7.976 -7.899 -9.235 201 HG2 GLU 34 HG2 GLU 34 -8.278 -8.671 -11.472 202 HG3 GLU 34 HG1 GLU 34 -8.363 -10.056 -10.383 203 H SER 35 HN SER 35 -7.541 -8.659 -6.915 204 HA SER 35 HA SER 35 -6.385 -11.175 -7.207 205 HB2 SER 35 HB2 SER 35 -5.174 -9.220 -6.354 206 HB3 SER 35 HB1 SER 35 -6.153 -9.240 -4.889 207 HG SER 35 HG SER 35 -4.342 -11.249 -5.759 208 H ARG 36 HN ARG 36 -8.855 -10.061 -4.998 209 HA ARG 36 HA ARG 36 -8.779 -12.545 -3.478 210 HB2 ARG 36 HB2 ARG 36 -10.120 -9.912 -3.159 211 HB3 ARG 36 HB1 ARG 36 -10.835 -11.293 -2.369 212 HG2 ARG 36 HG2 ARG 36 -9.493 -10.456 -0.705 213 HG3 ARG 36 HG1 ARG 36 -8.420 -11.651 -1.442 214 HD2 ARG 36 HD2 ARG 36 -7.414 -9.887 -2.788 215 HD3 ARG 36 HD1 ARG 36 -8.474 -8.709 -2.043 216 HE ARG 36 HE ARG 36 -7.269 -9.712 0.102 217 HH11 ARG 36 HH11 ARG 36 -5.888 -8.757 -2.973 218 HH12 ARG 36 HH12 ARG 36 -4.401 -8.198 -2.277 219 HH21 ARG 36 HH21 ARG 36 -5.328 -8.960 1.019 220 HH22 ARG 36 HH22 ARG 36 -4.087 -8.304 -0.000 221 H GLY 37 HN GLY 37 -9.890 -11.880 -6.383 222 HA2 GLY 37 HA2 GLY 37 -11.425 -12.908 -7.744 223 HA3 GLY 37 HA1 GLY 37 -11.759 -14.009 -6.417 224 H GLY 38 HN GLY 38 -12.109 -10.559 -6.101 225 HA2 GLY 38 HA2 GLY 38 -14.083 -9.275 -6.296 226 HA3 GLY 38 HA1 GLY 38 -15.012 -10.753 -6.412 227 H LYS 39 HN LYS 39 -13.544 -11.897 -4.087 228 HA LYS 39 HA LYS 39 -15.312 -10.821 -2.080 229 HB2 LYS 39 HB2 LYS 39 -13.323 -13.080 -1.982 230 HB3 LYS 39 HB1 LYS 39 -14.371 -12.621 -0.644 231 HG2 LYS 39 HG2 LYS 39 -16.182 -12.868 -2.618 232 HG3 LYS 39 HG1 LYS 39 -14.988 -14.063 -3.119 233 HD2 LYS 39 HD2 LYS 39 -15.083 -15.085 -0.895 234 HD3 LYS 39 HD1 LYS 39 -16.290 -13.898 -0.409 235 HE2 LYS 39 HE2 LYS 39 -17.393 -15.959 -0.976 236 HE3 LYS 39 HE1 LYS 39 -17.784 -14.740 -2.188 237 HZ1 LYS 39 HZ1 LYS 39 -15.716 -16.847 -2.493 238 HZ2 LYS 39 HZ2 LYS 39 -16.168 -15.718 -3.667 239 HZ3 LYS 39 HZ3 LYS 39 -17.264 -16.902 -3.166 240 H TYR 40 HN TYR 40 -14.215 -8.731 -2.253 241 HA TYR 40 HA TYR 40 -12.219 -8.469 -0.138 242 HB2 TYR 40 HB2 TYR 40 -11.033 -8.599 -2.360 243 HB3 TYR 40 HB1 TYR 40 -11.880 -7.133 -2.820 244 HD1 TYR 40 HD2 TYR 40 -9.926 -8.303 0.144 245 HD2 TYR 40 HD1 TYR 40 -10.573 -5.243 -2.731 246 HE1 TYR 40 HE2 TYR 40 -8.145 -6.967 1.173 247 HE2 TYR 40 HE1 TYR 40 -8.782 -3.905 -1.721 248 HH TYR 40 HH TYR 40 -6.640 -5.193 0.652 249 H SER 41 HN SER 41 -13.425 -7.195 1.220 250 HA SER 41 HA SER 41 -15.221 -5.239 0.094 251 HB2 SER 41 HB2 SER 41 -15.186 -4.637 2.716 252 HB3 SER 41 HB1 SER 41 -16.241 -5.833 2.002 253 HG SER 41 HG SER 41 -14.471 -6.207 3.887 254 H ILE 42 HN ILE 42 -15.181 -3.034 1.197 255 HA ILE 42 HA ILE 42 -12.721 -1.843 0.446 256 HB ILE 42 HB ILE 42 -15.082 -0.843 0.351 257 HG12 ILE 42 HG12 ILE 42 -13.787 1.439 1.214 258 HG13 ILE 42 HG11 ILE 42 -12.467 0.337 0.839 259 HG21 ILE 42 HG21 ILE 42 -14.315 -0.074 3.159 260 HG22 ILE 42 HG22 ILE 42 -15.633 -1.155 2.707 261 HG23 ILE 42 HG23 ILE 42 -15.699 0.549 2.257 262 HD11 ILE 42 HD11 ILE 42 -14.669 1.088 -1.044 263 HD12 ILE 42 HD12 ILE 42 -13.279 0.058 -1.394 264 HD13 ILE 42 HD13 ILE 42 -13.043 1.763 -1.024 265 H ASP 43 HN ASP 43 -14.071 -3.014 3.415 266 HA ASP 43 HA ASP 43 -12.528 -1.407 5.172 267 HB2 ASP 43 HB2 ASP 43 -13.442 -2.660 6.906 268 HB3 ASP 43 HB1 ASP 43 -14.643 -2.920 5.639 269 H ASP 44 HN ASP 44 -11.975 -4.524 3.619 270 HA ASP 44 HA ASP 44 -9.588 -5.111 5.049 271 HB2 ASP 44 HB2 ASP 44 -11.061 -6.688 3.584 272 HB3 ASP 44 HB1 ASP 44 -10.101 -6.080 2.245 273 H TYR 45 HN TYR 45 -10.397 -3.366 2.128 274 HA TYR 45 HA TYR 45 -7.744 -2.703 1.380 275 HB2 TYR 45 HB2 TYR 45 -9.540 -2.450 -0.235 276 HB3 TYR 45 HB1 TYR 45 -10.365 -1.277 0.793 277 HD1 TYR 45 HD2 TYR 45 -7.295 -1.857 -1.194 278 HD2 TYR 45 HD1 TYR 45 -9.783 1.036 0.687 279 HE1 TYR 45 HE2 TYR 45 -5.981 -0.069 -2.239 280 HE2 TYR 45 HE1 TYR 45 -8.450 2.849 -0.357 281 HH TYR 45 HH TYR 45 -6.252 3.212 -1.307 282 H LEU 46 HN LEU 46 -10.216 -1.060 3.279 283 HA LEU 46 HA LEU 46 -8.793 1.323 3.716 284 HB2 LEU 46 HB2 LEU 46 -11.045 0.035 5.251 285 HB3 LEU 46 HB1 LEU 46 -10.461 1.656 5.560 286 HG LEU 46 HG LEU 46 -11.726 0.694 2.986 287 HD11 LEU 46 HD11 LEU 46 -12.714 2.593 5.111 288 HD12 LEU 46 HD12 LEU 46 -13.319 0.964 4.813 289 HD13 LEU 46 HD13 LEU 46 -13.529 2.220 3.592 290 HD21 LEU 46 HD21 LEU 46 -10.584 3.356 3.780 291 HD22 LEU 46 HD22 LEU 46 -11.658 3.116 2.404 292 HD23 LEU 46 HD23 LEU 46 -10.082 2.322 2.443 293 H ALA 47 HN ALA 47 -8.854 -1.725 5.452 294 HA ALA 47 HA ALA 47 -7.369 -0.813 7.711 295 HB1 ALA 47 HB1 ALA 47 -7.097 -3.163 8.238 296 HB2 ALA 47 HB2 ALA 47 -7.623 -3.614 6.615 297 HB3 ALA 47 HB3 ALA 47 -8.759 -2.854 7.731 298 H ASP 48 HN ASP 48 -6.487 -2.330 4.637 299 HA ASP 48 HA ASP 48 -3.687 -2.312 5.231 300 HB2 ASP 48 HB2 ASP 48 -4.893 -3.770 3.492 301 HB3 ASP 48 HB1 ASP 48 -4.885 -2.342 2.461 302 H ARG 49 HN ARG 49 -5.977 -0.168 3.710 303 HA ARG 49 HA ARG 49 -4.256 1.780 2.680 304 HB2 ARG 49 HB2 ARG 49 -6.743 1.586 2.300 305 HB3 ARG 49 HB1 ARG 49 -6.965 2.303 3.891 306 HG2 ARG 49 HG2 ARG 49 -5.801 4.292 3.178 307 HG3 ARG 49 HG1 ARG 49 -5.514 3.586 1.591 308 HD2 ARG 49 HD2 ARG 49 -7.959 3.444 1.287 309 HD3 ARG 49 HD1 ARG 49 -8.180 4.306 2.803 310 HE ARG 49 HE ARG 49 -6.844 5.422 0.407 311 HH11 ARG 49 HH11 ARG 49 -8.662 5.872 3.382 312 HH12 ARG 49 HH12 ARG 49 -8.915 7.567 3.118 313 HH21 ARG 49 HH21 ARG 49 -7.171 7.657 0.081 314 HH22 ARG 49 HH22 ARG 49 -8.068 8.578 1.245 315 H GLU 50 HN GLU 50 -5.582 1.280 5.916 316 HA GLU 50 HA GLU 50 -4.610 3.581 7.182 317 HB2 GLU 50 HB2 GLU 50 -5.065 0.779 8.226 318 HB3 GLU 50 HB1 GLU 50 -4.613 2.130 9.259 319 HG2 GLU 50 HG2 GLU 50 -7.093 1.982 7.562 320 HG3 GLU 50 HG1 GLU 50 -7.015 1.675 9.295 321 H ARG 51 HN ARG 51 -3.079 0.545 6.356 322 HA ARG 51 HA ARG 51 -0.598 1.124 7.637 323 HB2 ARG 51 HB2 ARG 51 -1.319 -0.846 5.494 324 HB3 ARG 51 HB1 ARG 51 0.262 -0.746 6.262 325 HG2 ARG 51 HG2 ARG 51 -1.248 -0.910 8.445 326 HG3 ARG 51 HG1 ARG 51 -2.295 -1.765 7.309 327 HD2 ARG 51 HD2 ARG 51 -0.454 -3.239 6.713 328 HD3 ARG 51 HD1 ARG 51 0.610 -2.344 7.799 329 HE ARG 51 HE ARG 51 -1.434 -3.181 9.397 330 HH11 ARG 51 HH11 ARG 51 0.771 -4.817 7.225 331 HH12 ARG 51 HH12 ARG 51 0.847 -6.261 8.188 332 HH21 ARG 51 HH21 ARG 51 -1.347 -5.088 10.656 333 HH22 ARG 51 HH22 ARG 51 -0.358 -6.414 10.130 334 H GLU 52 HN GLU 52 -1.930 1.484 4.431 335 HA GLU 52 HA GLU 52 0.400 2.103 3.043 336 HB2 GLU 52 HB2 GLU 52 -2.413 3.025 2.480 337 HB3 GLU 52 HB1 GLU 52 -1.067 3.118 1.350 338 HG2 GLU 52 HG2 GLU 52 -0.847 0.650 1.521 339 HG3 GLU 52 HG1 GLU 52 -2.318 0.636 2.481 340 H GLU 53 HN GLU 53 -1.643 4.130 5.029 341 HA GLU 53 HA GLU 53 -0.946 6.660 4.220 342 HB2 GLU 53 HB2 GLU 53 -1.366 5.641 7.031 343 HB3 GLU 53 HB1 GLU 53 -1.311 7.344 6.595 344 HG2 GLU 53 HG2 GLU 53 -3.284 5.373 5.469 345 HG3 GLU 53 HG1 GLU 53 -3.600 6.422 6.851 346 H GLU 54 HN GLU 54 0.900 4.523 6.362 347 HA GLU 54 HA GLU 54 3.005 6.503 6.618 348 HB2 GLU 54 HB2 GLU 54 4.085 4.849 8.094 349 HB3 GLU 54 HB1 GLU 54 2.436 5.202 8.589 350 HG2 GLU 54 HG2 GLU 54 1.693 3.138 7.465 351 HG3 GLU 54 HG1 GLU 54 3.375 2.775 7.083 352 H LEU 55 HN LEU 55 2.180 3.985 4.550 353 HA LEU 55 HA LEU 55 4.923 3.259 3.888 354 HB2 LEU 55 HB2 LEU 55 2.327 2.232 2.740 355 HB3 LEU 55 HB1 LEU 55 3.919 1.571 2.432 356 HG LEU 55 HG LEU 55 2.573 1.603 5.134 357 HD11 LEU 55 HD11 LEU 55 1.404 0.137 3.578 358 HD12 LEU 55 HD12 LEU 55 2.268 -0.795 4.800 359 HD13 LEU 55 HD13 LEU 55 2.926 -0.656 3.170 360 HD21 LEU 55 HD21 LEU 55 5.099 0.262 4.177 361 HD22 LEU 55 HD22 LEU 55 4.360 0.049 5.764 362 HD23 LEU 55 HD23 LEU 55 4.998 1.624 5.293 363 H LEU 56 HN LEU 56 2.633 5.517 2.907 364 HA LEU 56 HA LEU 56 3.192 5.588 0.117 365 HB2 LEU 56 HB2 LEU 56 2.024 7.687 1.943 366 HB3 LEU 56 HB1 LEU 56 2.108 7.830 0.199 367 HG LEU 56 HG LEU 56 0.519 5.786 1.747 368 HD11 LEU 56 HD11 LEU 56 -0.435 8.025 1.787 369 HD12 LEU 56 HD12 LEU 56 -1.414 6.928 0.813 370 HD13 LEU 56 HD13 LEU 56 -0.353 8.099 0.028 371 HD21 LEU 56 HD21 LEU 56 1.370 4.791 -0.292 372 HD22 LEU 56 HD22 LEU 56 0.805 6.173 -1.230 373 HD23 LEU 56 HD23 LEU 56 -0.358 5.104 -0.446 374 H GLU 57 HN GLU 57 3.776 8.116 -0.565 375 HA GLU 57 HA GLU 57 5.536 9.419 -1.094 376 HB2 GLU 57 HB2 GLU 57 6.056 8.926 1.814 377 HB3 GLU 57 HB1 GLU 57 7.148 9.911 0.853 378 HG2 GLU 57 HG2 GLU 57 4.224 10.419 1.322 379 HG3 GLU 57 HG1 GLU 57 5.569 11.291 2.055 380 H ARG 58 HN ARG 58 8.278 9.164 -0.116 381 HA ARG 58 HA ARG 58 9.047 6.974 -1.822 382 HB2 ARG 58 HB2 ARG 58 10.615 9.060 -0.313 383 HB3 ARG 58 HB1 ARG 58 11.400 7.742 -1.167 384 HG2 ARG 58 HG2 ARG 58 11.434 9.630 -2.599 385 HG3 ARG 58 HG1 ARG 58 10.237 8.513 -3.249 386 HD2 ARG 58 HD2 ARG 58 8.485 9.851 -2.046 387 HD3 ARG 58 HD1 ARG 58 9.740 11.031 -1.673 388 HE ARG 58 HE ARG 58 9.885 10.718 -4.381 389 HH11 ARG 58 HH11 ARG 58 7.374 11.645 -2.120 390 HH12 ARG 58 HH12 ARG 58 6.491 12.572 -3.288 391 HH21 ARG 58 HH21 ARG 58 8.745 11.962 -5.909 392 HH22 ARG 58 HH22 ARG 58 7.285 12.774 -5.439 393 H ASP 59 HN ASP 59 10.722 5.416 -1.113 394 HA ASP 59 HA ASP 59 10.495 4.640 1.710 395 HB2 ASP 59 HB2 ASP 59 8.746 3.397 0.515 396 HB3 ASP 59 HB1 ASP 59 9.935 2.814 -0.644 397 H GLU 60 HN GLU 60 11.831 3.400 -1.355 398 HA GLU 60 HA GLU 60 14.195 2.442 -0.019 399 HB2 GLU 60 HB2 GLU 60 14.864 1.647 -2.255 400 HB3 GLU 60 HB1 GLU 60 13.242 1.124 -1.824 401 HG2 GLU 60 HG2 GLU 60 12.246 2.698 -3.279 402 HG3 GLU 60 HG1 GLU 60 13.770 3.550 -3.515 403 H GLU 61 HN GLU 61 13.285 5.392 -1.303 404 HA GLU 61 HA GLU 61 15.534 6.244 -2.719 405 HB2 GLU 61 HB2 GLU 61 13.150 7.319 -2.318 406 HB3 GLU 61 HB1 GLU 61 13.995 8.184 -1.046 407 HG2 GLU 61 HG2 GLU 61 14.759 8.181 -3.957 408 HG3 GLU 61 HG1 GLU 61 13.865 9.456 -3.134 409 H GLU 62 HN GLU 62 14.721 7.409 0.569 410 HA GLU 62 HA GLU 62 17.290 6.776 1.615 411 HB2 GLU 62 HB2 GLU 62 17.961 8.673 0.238 412 HB3 GLU 62 HB1 GLU 62 16.731 9.677 0.992 413 HG2 GLU 62 HG2 GLU 62 17.869 9.377 3.162 414 HG3 GLU 62 HG1 GLU 62 19.137 8.472 2.337 415 H ALA 63 HN ALA 63 16.070 5.894 3.267 416 HA ALA 63 HA ALA 63 15.226 5.844 5.374 417 HB1 ALA 63 HB1 ALA 63 16.135 7.487 6.904 418 HB2 ALA 63 HB2 ALA 63 16.579 8.525 5.549 419 HB3 ALA 63 HB3 ALA 63 17.361 6.958 5.754 420 H ILE 64 HN ILE 64 13.074 6.286 4.031 421 HA ILE 64 HA ILE 64 11.795 8.652 5.231 422 HB ILE 64 HB ILE 64 10.754 6.988 2.937 423 HG12 ILE 64 HG12 ILE 64 11.275 9.366 1.810 424 HG13 ILE 64 HG11 ILE 64 12.544 9.354 3.026 425 HG21 ILE 64 HG21 ILE 64 9.182 8.831 2.609 426 HG22 ILE 64 HG22 ILE 64 9.843 9.648 4.026 427 HG23 ILE 64 HG23 ILE 64 9.008 8.106 4.206 428 HD11 ILE 64 HD11 ILE 64 12.088 7.264 0.916 429 HD12 ILE 64 HD12 ILE 64 13.341 7.210 2.156 430 HD13 ILE 64 HD13 ILE 64 13.363 8.481 0.933 431 H PHE 65 HN PHE 65 11.848 5.226 5.139 432 HA PHE 65 HA PHE 65 9.209 4.978 6.348 433 HB2 PHE 65 HB2 PHE 65 9.472 2.571 5.922 434 HB3 PHE 65 HB1 PHE 65 9.733 3.513 4.457 435 HD1 PHE 65 HD2 PHE 65 12.120 3.974 3.749 436 HD2 PHE 65 HD1 PHE 65 11.089 1.067 6.678 437 HE1 PHE 65 HE2 PHE 65 14.292 2.872 3.412 438 HE2 PHE 65 HE1 PHE 65 13.261 -0.042 6.349 439 HZ PHE 65 HZ PHE 65 14.866 0.859 4.711 440 H GLY 66 HN GLY 66 11.919 5.851 7.602 441 HA2 GLY 66 HA2 GLY 66 11.577 5.320 10.200 442 HA3 GLY 66 HA1 GLY 66 12.313 3.826 9.636 443 H ASP 67 HN ASP 67 13.980 4.500 11.225 444 HA ASP 67 HA ASP 67 15.667 6.730 10.542 445 HB2 ASP 67 HB2 ASP 67 16.010 4.476 12.530 446 HB3 ASP 67 HB1 ASP 67 17.157 5.799 12.338 447 H GLY 68 HN GLY 68 16.983 6.669 8.857 448 HA2 GLY 68 HA2 GLY 68 18.608 5.907 7.403 449 HA3 GLY 68 HA1 GLY 68 18.792 4.485 8.424 450 H PHE 69 HN PHE 69 18.983 3.497 6.183 451 HA PHE 69 HA PHE 69 16.349 2.447 5.578 452 HB2 PHE 69 HB2 PHE 69 16.870 2.517 3.095 453 HB3 PHE 69 HB1 PHE 69 16.419 4.030 3.857 454 HD1 PHE 69 HD1 PHE 69 18.349 5.561 4.582 455 HD2 PHE 69 HD2 PHE 69 18.753 2.403 1.774 456 HE1 PHE 69 HE1 PHE 69 20.348 6.659 3.647 457 HE2 PHE 69 HE2 PHE 69 20.758 3.481 0.835 458 HZ PHE 69 HZ PHE 69 21.558 5.615 1.773 459 H GLY 70 HN GLY 70 19.670 2.082 4.271 460 HA2 GLY 70 HA2 GLY 70 20.935 0.188 3.965 461 HA3 GLY 70 HA1 GLY 70 20.209 -0.373 5.460 462 H LEU 71 HN LEU 71 18.283 0.321 2.645 463 HA LEU 71 HA LEU 71 17.462 -2.477 2.562 464 HB2 LEU 71 HB2 LEU 71 15.713 -0.775 2.686 465 HB3 LEU 71 HB1 LEU 71 16.321 -0.020 1.227 466 HG LEU 71 HG LEU 71 15.744 -2.091 -0.031 467 HD11 LEU 71 HD11 LEU 71 14.233 -3.709 1.011 468 HD12 LEU 71 HD12 LEU 71 14.426 -2.888 2.560 469 HD13 LEU 71 HD13 LEU 71 15.807 -3.682 1.805 470 HD21 LEU 71 HD21 LEU 71 13.499 -0.735 1.453 471 HD22 LEU 71 HD22 LEU 71 13.316 -1.694 -0.015 472 HD23 LEU 71 HD23 LEU 71 14.243 -0.195 -0.051 473 H LYS 72 HN LYS 72 18.420 0.084 0.302 474 HA LYS 72 HA LYS 72 19.944 -1.821 -1.244 475 HB2 LYS 72 HB2 LYS 72 18.865 -1.202 -3.380 476 HB3 LYS 72 HB1 LYS 72 17.755 -2.027 -2.294 477 HG2 LYS 72 HG2 LYS 72 16.703 0.058 -1.709 478 HG3 LYS 72 HG1 LYS 72 17.885 0.957 -2.660 479 HD2 LYS 72 HD2 LYS 72 15.815 0.753 -3.899 480 HD3 LYS 72 HD1 LYS 72 17.082 -0.182 -4.689 481 HE2 LYS 72 HE2 LYS 72 16.207 -2.233 -3.749 482 HE3 LYS 72 HE1 LYS 72 15.002 -1.330 -2.829 483 HZ1 LYS 72 HZ1 LYS 72 14.071 -2.309 -4.839 484 HZ2 LYS 72 HZ2 LYS 72 15.166 -1.443 -5.792 485 HZ3 LYS 72 HZ3 LYS 72 13.988 -0.618 -4.894 486 H ALA 73 HN ALA 73 21.403 -0.782 -2.710 487 HA ALA 73 HA ALA 73 21.581 2.132 -2.492 488 HB1 ALA 73 HB1 ALA 73 23.086 1.217 -0.783 489 HB2 ALA 73 HB2 ALA 73 23.981 2.029 -2.067 490 HB3 ALA 73 HB3 ALA 73 23.910 0.268 -2.021 491 H THR 74 HN THR 74 23.513 2.824 -4.025 492 HA THR 74 HA THR 74 23.944 3.230 -6.208 493 HB THR 74 HB THR 74 24.838 1.244 -7.492 494 HG1 THR 74 HG1 THR 74 23.483 -0.172 -5.827 495 HG21 THR 74 HG21 THR 74 25.946 1.754 -4.732 496 HG22 THR 74 HG22 THR 74 26.293 2.694 -6.184 497 HG23 THR 74 HG23 THR 74 26.825 1.016 -6.069 498 H ARG 75 HN ARG 75 21.462 3.572 -6.120 499 HA ARG 75 HA ARG 75 19.867 1.735 -7.649 500 HB2 ARG 75 HB2 ARG 75 19.290 4.582 -6.794 501 HB3 ARG 75 HB1 ARG 75 18.111 3.443 -7.429 502 HG2 ARG 75 HG2 ARG 75 18.278 2.063 -5.506 503 HG3 ARG 75 HG1 ARG 75 19.688 2.944 -4.918 504 HD2 ARG 75 HD2 ARG 75 17.795 3.644 -3.644 505 HD3 ARG 75 HD1 ARG 75 18.251 4.967 -4.712 506 HE ARG 75 HE ARG 75 16.024 3.133 -5.354 507 HH11 ARG 75 HH11 ARG 75 17.320 6.375 -5.004 508 HH12 ARG 75 HH12 ARG 75 15.862 7.145 -5.543 509 HH21 ARG 75 HH21 ARG 75 14.107 4.151 -6.017 510 HH22 ARG 75 HH22 ARG 75 14.025 5.885 -6.095 511 H ARG 76 HN ARG 76 21.433 1.735 -9.467 512 HA ARG 76 HA ARG 76 21.095 4.064 -11.243 513 HB2 ARG 76 HB2 ARG 76 23.353 2.060 -11.109 514 HB3 ARG 76 HB1 ARG 76 23.217 3.340 -12.307 515 HG2 ARG 76 HG2 ARG 76 23.409 5.023 -10.594 516 HG3 ARG 76 HG1 ARG 76 23.413 3.784 -9.338 517 HD2 ARG 76 HD2 ARG 76 25.484 4.067 -11.511 518 HD3 ARG 76 HD1 ARG 76 25.671 4.632 -9.853 519 HE ARG 76 HE ARG 76 25.045 1.814 -10.157 520 HH11 ARG 76 HH11 ARG 76 27.534 4.247 -9.751 521 HH12 ARG 76 HH12 ARG 76 28.728 3.111 -9.203 522 HH21 ARG 76 HH21 ARG 76 26.604 0.325 -9.418 523 HH22 ARG 76 HH22 ARG 76 28.198 0.878 -9.011 524 H SER 77 HN SER 77 20.447 3.753 -13.309 525 HA SER 77 HA SER 77 19.170 1.247 -13.931 526 HB2 SER 77 HB2 SER 77 19.432 3.609 -15.768 527 HB3 SER 77 HB1 SER 77 18.135 2.420 -15.696 528 HG SER 77 HG SER 77 17.623 3.294 -13.596 529 H ARG 78 HN ARG 78 21.019 -0.129 -14.093 530 HA ARG 78 HA ARG 78 23.236 0.503 -15.748 531 HB2 ARG 78 HB2 ARG 78 22.358 -2.173 -14.663 532 HB3 ARG 78 HB1 ARG 78 23.918 -1.840 -15.397 533 HG2 ARG 78 HG2 ARG 78 24.302 -0.145 -13.591 534 HG3 ARG 78 HG1 ARG 78 22.836 -0.746 -12.814 535 HD2 ARG 78 HD2 ARG 78 24.779 -1.815 -11.841 536 HD3 ARG 78 HD1 ARG 78 23.831 -3.000 -12.739 537 HE ARG 78 HE ARG 78 25.941 -1.809 -14.284 538 HH11 ARG 78 HH11 ARG 78 25.180 -4.354 -12.005 539 HH12 ARG 78 HH12 ARG 78 26.486 -5.371 -12.513 540 HH21 ARG 78 HH21 ARG 78 27.666 -3.135 -14.941 541 HH22 ARG 78 HH22 ARG 78 27.904 -4.677 -14.187 542 H LYS 79 HN LYS 79 20.354 -1.505 -16.252 543 HA LYS 79 HA LYS 79 21.299 -2.393 -18.824 544 HB2 LYS 79 HB2 LYS 79 18.662 -2.756 -17.411 545 HB3 LYS 79 HB1 LYS 79 19.002 -3.414 -19.007 546 HG2 LYS 79 HG2 LYS 79 20.937 -4.630 -18.005 547 HG3 LYS 79 HG1 LYS 79 20.380 -4.090 -16.422 548 HD2 LYS 79 HD2 LYS 79 18.265 -5.235 -16.746 549 HD3 LYS 79 HD1 LYS 79 18.754 -5.721 -18.371 550 HE2 LYS 79 HE2 LYS 79 20.110 -6.530 -15.801 551 HE3 LYS 79 HE1 LYS 79 19.025 -7.542 -16.755 552 HZ1 LYS 79 HZ1 LYS 79 20.609 -7.372 -18.603 553 HZ2 LYS 79 HZ2 LYS 79 21.298 -8.092 -17.240 554 HZ3 LYS 79 HZ3 LYS 79 21.663 -6.486 -17.623 555 H ALA 80 HN ALA 80 19.611 0.333 -17.682 556 HA ALA 80 HA ALA 80 18.342 1.002 -20.162 557 HB1 ALA 80 HB1 ALA 80 17.563 1.918 -18.021 558 HB2 ALA 80 HB2 ALA 80 17.977 3.190 -19.171 559 HB3 ALA 80 HB3 ALA 80 19.084 2.797 -17.855 560 H GLU 81 HN GLU 81 21.486 1.249 -18.845 561 HA GLU 81 HA GLU 81 22.363 3.054 -20.979 562 HB2 GLU 81 HB2 GLU 81 23.113 3.743 -18.812 563 HB3 GLU 81 HB1 GLU 81 23.674 2.124 -18.426 564 HG2 GLU 81 HG2 GLU 81 25.523 3.631 -18.909 565 HG3 GLU 81 HG1 GLU 81 25.438 2.311 -20.073 566 H ARG 82 HN ARG 82 23.665 0.146 -19.365 567 HA ARG 82 HA ARG 82 25.030 -0.562 -21.836 568 HB2 ARG 82 HB2 ARG 82 25.134 -1.959 -19.160 569 HB3 ARG 82 HB1 ARG 82 26.236 -2.184 -20.511 570 HG2 ARG 82 HG2 ARG 82 25.935 0.312 -18.849 571 HG3 ARG 82 HG1 ARG 82 27.269 -0.839 -18.785 572 HD2 ARG 82 HD2 ARG 82 27.905 -0.281 -21.053 573 HD3 ARG 82 HD1 ARG 82 26.512 0.786 -21.211 574 HE ARG 82 HE ARG 82 28.194 1.511 -19.016 575 HH11 ARG 82 HH11 ARG 82 27.822 1.796 -22.488 576 HH12 ARG 82 HH12 ARG 82 28.764 3.249 -22.599 577 HH21 ARG 82 HH21 ARG 82 29.408 3.442 -19.160 578 HH22 ARG 82 HH22 ARG 82 29.655 4.190 -20.706 579 H ALA 83 HN ALA 83 23.224 -1.126 -23.070 580 HA ALA 83 HA ALA 83 21.373 -3.130 -22.141 581 HB1 ALA 83 HB1 ALA 83 21.649 -1.827 -24.844 582 HB2 ALA 83 HB2 ALA 83 20.592 -1.295 -23.537 583 HB3 ALA 83 HB3 ALA 83 20.309 -2.848 -24.325 584 H LYS 84 HN LYS 84 24.147 -2.972 -24.279 585 HA LYS 84 HA LYS 84 24.528 -5.792 -24.116 586 HB2 LYS 84 HB2 LYS 84 22.758 -5.665 -25.870 587 HB3 LYS 84 HB1 LYS 84 23.834 -4.675 -26.839 588 HG2 LYS 84 HG2 LYS 84 23.874 -6.944 -27.634 589 HG3 LYS 84 HG1 LYS 84 25.438 -6.528 -26.937 590 HD2 LYS 84 HD2 LYS 84 25.012 -8.671 -26.114 591 HD3 LYS 84 HD1 LYS 84 24.549 -7.615 -24.786 592 HE2 LYS 84 HE2 LYS 84 22.611 -8.750 -26.798 593 HE3 LYS 84 HE1 LYS 84 22.962 -9.498 -25.244 594 HZ1 LYS 84 HZ1 LYS 84 21.646 -6.891 -25.745 595 HZ2 LYS 84 HZ2 LYS 84 22.226 -7.337 -24.223 596 HZ3 LYS 84 HZ3 LYS 84 21.009 -8.246 -24.963 597 H LEU 85 HN LEU 85 26.655 -5.967 -23.935 598 HA LEU 85 HA LEU 85 28.337 -4.005 -25.348 599 HB2 LEU 85 HB2 LEU 85 28.913 -5.513 -22.792 600 HB3 LEU 85 HB1 LEU 85 30.003 -4.384 -23.572 601 HG LEU 85 HG LEU 85 27.316 -3.682 -22.380 602 HD11 LEU 85 HD11 LEU 85 28.962 -4.238 -20.678 603 HD12 LEU 85 HD12 LEU 85 28.632 -2.504 -20.688 604 HD13 LEU 85 HD13 LEU 85 30.116 -3.125 -21.413 605 HD21 LEU 85 HD21 LEU 85 27.880 -2.267 -24.286 606 HD22 LEU 85 HD22 LEU 85 29.459 -1.927 -23.577 607 HD23 LEU 85 HD23 LEU 85 27.992 -1.366 -22.775 Start of MODEL 18 1 H1 GLY 11 HT1 GLY 11 -24.284 -8.276 -7.865 2 H2 GLY 11 HT2 GLY 11 -24.222 -6.976 -6.790 3 H3 GLY 11 HT3 GLY 11 -25.429 -8.146 -6.629 4 HA2 GLY 11 HA1 GLY 11 -23.757 -9.821 -6.116 5 HA3 GLY 11 HA2 GLY 11 -22.524 -8.575 -6.236 6 H ARG 12 HN ARG 12 -21.826 -8.631 -4.127 7 HA ARG 12 HA ARG 12 -23.798 -8.281 -2.005 8 HB2 ARG 12 HB2 ARG 12 -20.851 -8.884 -1.970 9 HB3 ARG 12 HB1 ARG 12 -21.752 -8.492 -0.514 10 HG2 ARG 12 HG2 ARG 12 -23.242 -10.406 -0.967 11 HG3 ARG 12 HG1 ARG 12 -22.222 -10.829 -2.346 12 HD2 ARG 12 HD2 ARG 12 -20.326 -11.165 -0.904 13 HD3 ARG 12 HD1 ARG 12 -21.232 -10.582 0.490 14 HE ARG 12 HE ARG 12 -22.496 -12.822 -0.741 15 HH11 ARG 12 HH11 ARG 12 -19.861 -11.920 1.382 16 HH12 ARG 12 HH12 ARG 12 -19.888 -13.416 2.258 17 HH21 ARG 12 HH21 ARG 12 -22.537 -14.791 0.433 18 HH22 ARG 12 HH22 ARG 12 -21.403 -15.043 1.720 19 HA PRO 13 HA PRO 13 -22.805 -3.953 -1.816 20 HB2 PRO 13 HB2 PRO 13 -24.620 -3.249 -0.047 21 HB3 PRO 13 HB1 PRO 13 -25.113 -3.850 -1.632 22 HG2 PRO 13 HG2 PRO 13 -25.101 -5.251 1.003 23 HG3 PRO 13 HG1 PRO 13 -26.284 -5.347 -0.311 24 HD2 PRO 13 HD2 PRO 13 -24.213 -7.167 0.174 25 HD3 PRO 13 HD1 PRO 13 -25.146 -7.031 -1.327 26 H GLY 14 HN GLY 14 -22.382 -2.310 -0.070 27 HA2 GLY 14 HA2 GLY 14 -21.252 -3.500 2.370 28 HA3 GLY 14 HA1 GLY 14 -20.264 -2.427 1.386 29 H VAL 15 HN VAL 15 -22.206 -2.559 4.032 30 HA VAL 15 HA VAL 15 -23.614 -0.098 3.827 31 HB VAL 15 HB VAL 15 -23.935 -0.272 6.257 32 HG11 VAL 15 HG11 VAL 15 -24.290 -2.878 4.784 33 HG12 VAL 15 HG12 VAL 15 -25.410 -1.516 4.787 34 HG13 VAL 15 HG13 VAL 15 -25.121 -2.423 6.271 35 HG21 VAL 15 HG21 VAL 15 -21.702 -1.152 6.827 36 HG22 VAL 15 HG22 VAL 15 -22.146 -2.697 6.104 37 HG23 VAL 15 HG23 VAL 15 -23.002 -2.116 7.532 38 H PHE 16 HN PHE 16 -20.485 -1.052 5.077 39 HA PHE 16 HA PHE 16 -19.779 1.760 5.524 40 HB2 PHE 16 HB2 PHE 16 -19.290 -0.002 7.290 41 HB3 PHE 16 HB1 PHE 16 -18.137 -0.700 6.162 42 HD1 PHE 16 HD1 PHE 16 -18.963 2.486 7.875 43 HD2 PHE 16 HD2 PHE 16 -15.944 0.019 6.183 44 HE1 PHE 16 HE1 PHE 16 -17.244 4.027 8.717 45 HE2 PHE 16 HE2 PHE 16 -14.216 1.552 7.022 46 HZ PHE 16 HZ PHE 16 -14.866 3.561 8.289 47 H ARG 17 HN ARG 17 -19.527 2.449 3.422 48 HA ARG 17 HA ARG 17 -18.063 0.760 1.574 49 HB2 ARG 17 HB2 ARG 17 -20.282 2.007 1.101 50 HB3 ARG 17 HB1 ARG 17 -19.281 3.438 0.927 51 HG2 ARG 17 HG2 ARG 17 -19.758 2.481 -1.235 52 HG3 ARG 17 HG1 ARG 17 -18.039 2.336 -0.884 53 HD2 ARG 17 HD2 ARG 17 -18.329 0.007 -0.276 54 HD3 ARG 17 HD1 ARG 17 -20.072 0.136 -0.518 55 HE ARG 17 HE ARG 17 -19.053 0.890 -2.911 56 HH11 ARG 17 HH11 ARG 17 -18.493 -1.908 -0.880 57 HH12 ARG 17 HH12 ARG 17 -18.267 -2.988 -2.216 58 HH21 ARG 17 HH21 ARG 17 -18.703 -0.511 -4.665 59 HH22 ARG 17 HH22 ARG 17 -18.379 -2.192 -4.376 60 H THR 18 HN THR 18 -17.403 3.438 0.126 61 HA THR 18 HA THR 18 -14.668 3.383 1.004 62 HB THR 18 HB THR 18 -14.545 5.172 -0.909 63 HG1 THR 18 HG1 THR 18 -16.543 5.619 -1.521 64 HG21 THR 18 HG21 THR 18 -13.634 2.918 -1.075 65 HG22 THR 18 HG22 THR 18 -14.433 3.379 -2.575 66 HG23 THR 18 HG23 THR 18 -15.235 2.279 -1.450 67 H ARG 19 HN ARG 19 -13.718 4.788 2.336 68 HA ARG 19 HA ARG 19 -15.148 7.107 3.275 69 HB2 ARG 19 HB2 ARG 19 -13.111 7.468 4.695 70 HB3 ARG 19 HB1 ARG 19 -13.912 5.927 4.941 71 HG2 ARG 19 HG2 ARG 19 -12.221 4.870 3.470 72 HG3 ARG 19 HG1 ARG 19 -11.390 6.423 3.375 73 HD2 ARG 19 HD2 ARG 19 -10.341 5.029 5.052 74 HD3 ARG 19 HD1 ARG 19 -11.129 6.405 5.825 75 HE ARG 19 HE ARG 19 -12.967 4.327 5.826 76 HH11 ARG 19 HH11 ARG 19 -9.822 4.997 7.205 77 HH12 ARG 19 HH12 ARG 19 -10.080 3.997 8.598 78 HH21 ARG 19 HH21 ARG 19 -13.299 3.006 7.656 79 HH22 ARG 19 HH22 ARG 19 -12.053 2.862 8.850 80 H GLY 20 HN GLY 20 -15.046 7.682 0.813 81 HA2 GLY 20 HA2 GLY 20 -14.395 9.272 -0.705 82 HA3 GLY 20 HA1 GLY 20 -13.366 9.959 0.544 83 H LEU 21 HN LEU 21 -13.448 6.884 -1.215 84 HA LEU 21 HA LEU 21 -10.576 6.914 -1.450 85 HB2 LEU 21 HB2 LEU 21 -12.560 4.933 -1.514 86 HB3 LEU 21 HB1 LEU 21 -11.881 4.965 -3.131 87 HG LEU 21 HG LEU 21 -9.626 4.754 -2.084 88 HD11 LEU 21 HD11 LEU 21 -10.178 5.524 0.124 89 HD12 LEU 21 HD12 LEU 21 -9.478 3.912 0.164 90 HD13 LEU 21 HD13 LEU 21 -11.219 4.120 0.366 91 HD21 LEU 21 HD21 LEU 21 -11.701 2.633 -1.931 92 HD22 LEU 21 HD22 LEU 21 -10.028 2.307 -1.477 93 HD23 LEU 21 HD23 LEU 21 -10.410 2.853 -3.110 94 H THR 22 HN THR 22 -9.512 7.861 -3.019 95 HA THR 22 HA THR 22 -10.877 9.091 -5.200 96 HB THR 22 HB THR 22 -8.606 9.738 -5.955 97 HG1 THR 22 HG1 THR 22 -7.676 8.395 -3.611 98 HG21 THR 22 HG21 THR 22 -8.037 11.067 -3.922 99 HG22 THR 22 HG22 THR 22 -9.236 10.130 -3.025 100 HG23 THR 22 HG23 THR 22 -9.739 11.157 -4.368 101 H ASP 23 HN ASP 23 -9.959 8.737 -7.523 102 HA ASP 23 HA ASP 23 -10.768 6.169 -8.270 103 HB2 ASP 23 HB2 ASP 23 -9.724 8.528 -9.642 104 HB3 ASP 23 HB1 ASP 23 -9.270 7.017 -10.423 105 H GLU 24 HN GLU 24 -7.567 7.450 -7.621 106 HA GLU 24 HA GLU 24 -6.093 5.260 -8.633 107 HB2 GLU 24 HB2 GLU 24 -5.415 7.224 -6.434 108 HB3 GLU 24 HB1 GLU 24 -4.271 6.095 -7.144 109 HG2 GLU 24 HG2 GLU 24 -4.602 7.170 -9.327 110 HG3 GLU 24 HG1 GLU 24 -5.686 8.333 -8.569 111 H GLU 25 HN GLU 25 -7.129 6.028 -5.308 112 HA GLU 25 HA GLU 25 -6.133 3.675 -4.121 113 HB2 GLU 25 HB2 GLU 25 -8.494 5.342 -3.240 114 HB3 GLU 25 HB1 GLU 25 -7.605 4.199 -2.251 115 HG2 GLU 25 HG2 GLU 25 -5.719 5.539 -2.173 116 HG3 GLU 25 HG1 GLU 25 -6.256 6.549 -3.516 117 H TYR 26 HN TYR 26 -9.280 4.516 -5.456 118 HA TYR 26 HA TYR 26 -10.539 2.076 -4.777 119 HB2 TYR 26 HB2 TYR 26 -11.722 4.219 -5.352 120 HB3 TYR 26 HB1 TYR 26 -11.291 3.931 -7.031 121 HD1 TYR 26 HD1 TYR 26 -13.154 2.506 -4.167 122 HD2 TYR 26 HD2 TYR 26 -12.575 2.495 -8.376 123 HE1 TYR 26 HE1 TYR 26 -15.127 1.070 -4.421 124 HE2 TYR 26 HE2 TYR 26 -14.542 1.064 -8.653 125 HH TYR 26 HH TYR 26 -16.793 0.534 -6.180 126 H ASP 27 HN ASP 27 -8.551 3.088 -7.459 127 HA ASP 27 HA ASP 27 -9.164 0.884 -9.150 128 HB2 ASP 27 HB2 ASP 27 -8.055 2.958 -9.985 129 HB3 ASP 27 HB1 ASP 27 -6.626 2.549 -9.043 130 H GLU 28 HN GLU 28 -6.548 1.542 -6.835 131 HA GLU 28 HA GLU 28 -5.236 -0.917 -7.007 132 HB2 GLU 28 HB2 GLU 28 -4.439 1.119 -5.794 133 HB3 GLU 28 HB1 GLU 28 -5.637 0.798 -4.549 134 HG2 GLU 28 HG2 GLU 28 -3.471 0.034 -3.859 135 HG3 GLU 28 HG1 GLU 28 -4.560 -1.333 -4.063 136 H PHE 29 HN PHE 29 -7.904 0.174 -4.988 137 HA PHE 29 HA PHE 29 -8.467 -2.155 -3.584 138 HB2 PHE 29 HB2 PHE 29 -9.536 -0.108 -3.000 139 HB3 PHE 29 HB1 PHE 29 -10.221 0.072 -4.608 140 HD1 PHE 29 HD1 PHE 29 -10.231 -2.589 -1.984 141 HD2 PHE 29 HD2 PHE 29 -12.465 -0.161 -4.664 142 HE1 PHE 29 HE1 PHE 29 -12.301 -3.654 -1.213 143 HE2 PHE 29 HE2 PHE 29 -14.546 -1.215 -3.896 144 HZ PHE 29 HZ PHE 29 -14.465 -2.947 -2.160 145 H LYS 30 HN LYS 30 -9.625 -1.135 -6.801 146 HA LYS 30 HA LYS 30 -11.280 -3.357 -7.256 147 HB2 LYS 30 HB2 LYS 30 -9.859 -1.520 -9.175 148 HB3 LYS 30 HB1 LYS 30 -10.946 -2.795 -9.707 149 HG2 LYS 30 HG2 LYS 30 -12.742 -1.770 -8.374 150 HG3 LYS 30 HG1 LYS 30 -11.648 -0.468 -7.945 151 HD2 LYS 30 HD2 LYS 30 -12.419 -1.187 -10.770 152 HD3 LYS 30 HD1 LYS 30 -13.207 0.071 -9.821 153 HE2 LYS 30 HE2 LYS 30 -11.086 1.253 -9.623 154 HE3 LYS 30 HE1 LYS 30 -10.289 -0.007 -10.560 155 HZ1 LYS 30 HZ1 LYS 30 -12.485 1.722 -11.559 156 HZ2 LYS 30 HZ2 LYS 30 -11.644 0.558 -12.454 157 HZ3 LYS 30 HZ3 LYS 30 -10.844 1.941 -11.901 158 H LYS 31 HN LYS 31 -7.896 -2.767 -8.163 159 HA LYS 31 HA LYS 31 -7.415 -5.211 -9.435 160 HB2 LYS 31 HB2 LYS 31 -5.518 -3.499 -7.849 161 HB3 LYS 31 HB1 LYS 31 -5.034 -4.819 -8.904 162 HG2 LYS 31 HG2 LYS 31 -6.047 -3.625 -10.808 163 HG3 LYS 31 HG1 LYS 31 -6.413 -2.279 -9.729 164 HD2 LYS 31 HD2 LYS 31 -3.688 -3.357 -10.434 165 HD3 LYS 31 HD1 LYS 31 -4.368 -1.805 -10.917 166 HE2 LYS 31 HE2 LYS 31 -4.328 -1.006 -8.675 167 HE3 LYS 31 HE1 LYS 31 -3.914 -2.601 -8.052 168 HZ1 LYS 31 HZ1 LYS 31 -1.977 -1.209 -8.090 169 HZ2 LYS 31 HZ2 LYS 31 -2.194 -0.865 -9.733 170 HZ3 LYS 31 HZ3 LYS 31 -1.792 -2.434 -9.247 171 H ARG 32 HN ARG 32 -6.987 -4.226 -6.077 172 HA ARG 32 HA ARG 32 -6.070 -6.647 -5.030 173 HB2 ARG 32 HB2 ARG 32 -7.590 -4.375 -3.832 174 HB3 ARG 32 HB1 ARG 32 -7.092 -5.753 -2.873 175 HG2 ARG 32 HG2 ARG 32 -4.769 -5.272 -3.358 176 HG3 ARG 32 HG1 ARG 32 -5.248 -3.918 -4.388 177 HD2 ARG 32 HD2 ARG 32 -6.222 -2.783 -2.531 178 HD3 ARG 32 HD1 ARG 32 -5.929 -4.158 -1.470 179 HE ARG 32 HE ARG 32 -3.599 -2.930 -2.705 180 HH11 ARG 32 HH11 ARG 32 -5.642 -3.292 0.113 181 HH12 ARG 32 HH12 ARG 32 -4.484 -2.591 1.196 182 HH21 ARG 32 HH21 ARG 32 -2.070 -2.004 -1.270 183 HH22 ARG 32 HH22 ARG 32 -2.454 -1.865 0.423 184 H ARG 33 HN ARG 33 -9.340 -5.425 -5.502 185 HA ARG 33 HA ARG 33 -10.615 -7.620 -4.231 186 HB2 ARG 33 HB2 ARG 33 -11.701 -5.449 -4.437 187 HB3 ARG 33 HB1 ARG 33 -11.702 -5.588 -6.182 188 HG2 ARG 33 HG2 ARG 33 -13.397 -7.147 -6.188 189 HG3 ARG 33 HG1 ARG 33 -13.078 -7.659 -4.531 190 HD2 ARG 33 HD2 ARG 33 -13.918 -5.565 -3.687 191 HD3 ARG 33 HD1 ARG 33 -14.188 -4.967 -5.320 192 HE ARG 33 HE ARG 33 -15.594 -7.354 -4.313 193 HH11 ARG 33 HH11 ARG 33 -15.648 -4.170 -5.770 194 HH12 ARG 33 HH12 ARG 33 -17.372 -4.141 -5.943 195 HH21 ARG 33 HH21 ARG 33 -17.873 -7.310 -4.550 196 HH22 ARG 33 HH22 ARG 33 -18.632 -5.916 -5.245 197 H GLU 34 HN GLU 34 -9.650 -6.941 -7.538 198 HA GLU 34 HA GLU 34 -10.754 -9.251 -8.731 199 HB2 GLU 34 HB2 GLU 34 -9.836 -7.425 -10.068 200 HB3 GLU 34 HB1 GLU 34 -8.233 -7.720 -9.408 201 HG2 GLU 34 HG2 GLU 34 -8.351 -10.011 -10.430 202 HG3 GLU 34 HG1 GLU 34 -9.817 -9.482 -11.252 203 H SER 35 HN SER 35 -7.740 -8.619 -7.044 204 HA SER 35 HA SER 35 -6.467 -11.082 -7.408 205 HB2 SER 35 HB2 SER 35 -5.379 -9.035 -6.517 206 HB3 SER 35 HB1 SER 35 -6.302 -9.218 -5.026 207 HG SER 35 HG SER 35 -4.104 -10.072 -5.008 208 H ARG 36 HN ARG 36 -9.123 -10.171 -5.404 209 HA ARG 36 HA ARG 36 -8.954 -12.688 -3.904 210 HB2 ARG 36 HB2 ARG 36 -10.213 -10.050 -3.385 211 HB3 ARG 36 HB1 ARG 36 -10.975 -11.458 -2.689 212 HG2 ARG 36 HG2 ARG 36 -9.602 -10.803 -0.981 213 HG3 ARG 36 HG1 ARG 36 -8.571 -11.969 -1.814 214 HD2 ARG 36 HD2 ARG 36 -7.491 -10.141 -3.007 215 HD3 ARG 36 HD1 ARG 36 -8.524 -8.988 -2.175 216 HE ARG 36 HE ARG 36 -7.243 -10.475 -0.218 217 HH11 ARG 36 HH11 ARG 36 -6.324 -8.309 -2.803 218 HH12 ARG 36 HH12 ARG 36 -4.956 -7.664 -1.949 219 HH21 ARG 36 HH21 ARG 36 -5.455 -9.629 0.914 220 HH22 ARG 36 HH22 ARG 36 -4.454 -8.428 0.158 221 H GLY 37 HN GLY 37 -10.088 -11.913 -6.745 222 HA2 GLY 37 HA2 GLY 37 -11.760 -12.707 -8.102 223 HA3 GLY 37 HA1 GLY 37 -12.029 -13.940 -6.878 224 H GLY 38 HN GLY 38 -12.327 -10.516 -6.226 225 HA2 GLY 38 HA2 GLY 38 -14.322 -9.229 -6.224 226 HA3 GLY 38 HA1 GLY 38 -15.253 -10.708 -6.335 227 H LYS 39 HN LYS 39 -13.513 -11.891 -4.165 228 HA LYS 39 HA LYS 39 -15.205 -10.998 -2.004 229 HB2 LYS 39 HB2 LYS 39 -13.109 -13.161 -2.106 230 HB3 LYS 39 HB1 LYS 39 -14.143 -12.832 -0.721 231 HG2 LYS 39 HG2 LYS 39 -15.417 -14.428 -1.651 232 HG3 LYS 39 HG1 LYS 39 -16.008 -13.085 -2.623 233 HD2 LYS 39 HD2 LYS 39 -14.366 -13.634 -4.360 234 HD3 LYS 39 HD1 LYS 39 -13.827 -15.013 -3.402 235 HE2 LYS 39 HE2 LYS 39 -16.589 -14.598 -4.541 236 HE3 LYS 39 HE1 LYS 39 -15.373 -15.721 -5.145 237 HZ1 LYS 39 HZ1 LYS 39 -16.983 -16.870 -3.791 238 HZ2 LYS 39 HZ2 LYS 39 -16.690 -15.836 -2.485 239 HZ3 LYS 39 HZ3 LYS 39 -15.480 -16.892 -3.014 240 H TYR 40 HN TYR 40 -14.099 -8.837 -2.257 241 HA TYR 40 HA TYR 40 -12.061 -8.582 -0.180 242 HB2 TYR 40 HB2 TYR 40 -10.910 -8.698 -2.421 243 HB3 TYR 40 HB1 TYR 40 -11.774 -7.232 -2.860 244 HD1 TYR 40 HD1 TYR 40 -9.727 -8.448 0.011 245 HD2 TYR 40 HD2 TYR 40 -10.527 -5.295 -2.725 246 HE1 TYR 40 HE1 TYR 40 -7.928 -7.125 1.021 247 HE2 TYR 40 HE2 TYR 40 -8.716 -3.963 -1.716 248 HH TYR 40 HH TYR 40 -6.522 -5.326 0.616 249 H SER 41 HN SER 41 -13.119 -7.286 1.215 250 HA SER 41 HA SER 41 -14.990 -5.340 0.178 251 HB2 SER 41 HB2 SER 41 -14.365 -5.448 3.029 252 HB3 SER 41 HB1 SER 41 -15.906 -5.218 2.234 253 HG SER 41 HG SER 41 -14.598 -7.578 2.928 254 H ILE 42 HN ILE 42 -14.950 -3.128 1.048 255 HA ILE 42 HA ILE 42 -12.511 -1.877 0.442 256 HB ILE 42 HB ILE 42 -14.947 -0.971 0.411 257 HG12 ILE 42 HG12 ILE 42 -14.192 1.269 0.387 258 HG13 ILE 42 HG11 ILE 42 -12.860 0.928 1.485 259 HG21 ILE 42 HG21 ILE 42 -15.547 0.383 2.336 260 HG22 ILE 42 HG22 ILE 42 -14.107 -0.183 3.186 261 HG23 ILE 42 HG23 ILE 42 -15.393 -1.318 2.774 262 HD11 ILE 42 HD11 ILE 42 -13.142 -0.014 -1.352 263 HD12 ILE 42 HD12 ILE 42 -11.783 -0.358 -0.278 264 HD13 ILE 42 HD13 ILE 42 -12.111 1.296 -0.782 265 H ASP 43 HN ASP 43 -13.846 -3.069 3.448 266 HA ASP 43 HA ASP 43 -12.292 -1.546 5.231 267 HB2 ASP 43 HB2 ASP 43 -13.290 -4.354 5.665 268 HB3 ASP 43 HB1 ASP 43 -12.835 -3.208 6.912 269 H ASP 44 HN ASP 44 -11.707 -4.697 3.715 270 HA ASP 44 HA ASP 44 -9.292 -5.287 5.033 271 HB2 ASP 44 HB2 ASP 44 -10.713 -6.811 3.504 272 HB3 ASP 44 HB1 ASP 44 -9.832 -6.067 2.175 273 H TYR 45 HN TYR 45 -10.054 -3.453 2.155 274 HA TYR 45 HA TYR 45 -7.395 -2.749 1.489 275 HB2 TYR 45 HB2 TYR 45 -9.199 -2.510 -0.137 276 HB3 TYR 45 HB1 TYR 45 -10.000 -1.325 0.893 277 HD1 TYR 45 HD2 TYR 45 -6.980 -1.946 -1.121 278 HD2 TYR 45 HD1 TYR 45 -9.385 0.954 0.825 279 HE1 TYR 45 HE2 TYR 45 -5.655 -0.182 -2.184 280 HE2 TYR 45 HE1 TYR 45 -8.053 2.761 -0.213 281 HH TYR 45 HH TYR 45 -5.738 3.026 -1.162 282 H LEU 46 HN LEU 46 -9.943 -1.146 3.347 283 HA LEU 46 HA LEU 46 -8.633 1.266 3.846 284 HB2 LEU 46 HB2 LEU 46 -10.759 -0.145 5.447 285 HB3 LEU 46 HB1 LEU 46 -10.268 1.513 5.706 286 HG LEU 46 HG LEU 46 -11.525 0.442 3.186 287 HD11 LEU 46 HD11 LEU 46 -13.461 1.771 3.864 288 HD12 LEU 46 HD12 LEU 46 -12.642 2.202 5.365 289 HD13 LEU 46 HD13 LEU 46 -13.089 0.524 5.054 290 HD21 LEU 46 HD21 LEU 46 -10.711 3.226 3.975 291 HD22 LEU 46 HD22 LEU 46 -11.708 2.825 2.581 292 HD23 LEU 46 HD23 LEU 46 -10.043 2.253 2.667 293 H ALA 47 HN ALA 47 -8.520 -1.789 5.596 294 HA ALA 47 HA ALA 47 -7.195 -0.808 7.903 295 HB1 ALA 47 HB1 ALA 47 -8.349 -2.987 7.806 296 HB2 ALA 47 HB2 ALA 47 -6.686 -3.130 8.383 297 HB3 ALA 47 HB3 ALA 47 -7.088 -3.586 6.726 298 H ASP 48 HN ASP 48 -6.055 -2.084 4.832 299 HA ASP 48 HA ASP 48 -3.274 -1.818 5.504 300 HB2 ASP 48 HB2 ASP 48 -4.201 -3.418 3.786 301 HB3 ASP 48 HB1 ASP 48 -4.524 -2.027 2.759 302 H ARG 49 HN ARG 49 -5.717 0.067 3.855 303 HA ARG 49 HA ARG 49 -4.159 2.162 2.866 304 HB2 ARG 49 HB2 ARG 49 -6.539 1.803 2.327 305 HB3 ARG 49 HB1 ARG 49 -6.961 2.298 3.960 306 HG2 ARG 49 HG2 ARG 49 -6.046 4.503 3.547 307 HG3 ARG 49 HG1 ARG 49 -5.588 4.020 1.915 308 HD2 ARG 49 HD2 ARG 49 -7.945 3.555 1.439 309 HD3 ARG 49 HD1 ARG 49 -8.381 4.158 3.027 310 HE ARG 49 HE ARG 49 -7.356 5.746 0.772 311 HH11 ARG 49 HH11 ARG 49 -8.568 5.689 4.066 312 HH12 ARG 49 HH12 ARG 49 -9.038 7.359 4.044 313 HH21 ARG 49 HH21 ARG 49 -7.968 7.904 0.747 314 HH22 ARG 49 HH22 ARG 49 -8.704 8.624 2.152 315 H GLU 50 HN GLU 50 -5.693 1.718 6.030 316 HA GLU 50 HA GLU 50 -4.984 4.110 7.241 317 HB2 GLU 50 HB2 GLU 50 -5.375 1.327 8.294 318 HB3 GLU 50 HB1 GLU 50 -4.882 2.631 9.368 319 HG2 GLU 50 HG2 GLU 50 -7.345 2.689 7.643 320 HG3 GLU 50 HG1 GLU 50 -7.319 2.201 9.336 321 H ARG 51 HN ARG 51 -3.077 1.264 6.578 322 HA ARG 51 HA ARG 51 -0.753 2.161 7.985 323 HB2 ARG 51 HB2 ARG 51 -1.123 0.066 5.870 324 HB3 ARG 51 HB1 ARG 51 0.397 0.382 6.704 325 HG2 ARG 51 HG2 ARG 51 -1.134 0.069 8.833 326 HG3 ARG 51 HG1 ARG 51 -2.082 -0.888 7.691 327 HD2 ARG 51 HD2 ARG 51 -0.015 -2.108 7.094 328 HD3 ARG 51 HD1 ARG 51 0.823 -1.205 8.354 329 HE ARG 51 HE ARG 51 -0.919 -2.266 9.889 330 HH11 ARG 51 HH11 ARG 51 0.340 -3.801 7.005 331 HH12 ARG 51 HH12 ARG 51 0.107 -5.409 7.609 332 HH21 ARG 51 HH21 ARG 51 -1.239 -4.380 10.683 333 HH22 ARG 51 HH22 ARG 51 -0.797 -5.741 9.702 334 H GLU 52 HN GLU 52 -1.834 2.112 4.643 335 HA GLU 52 HA GLU 52 0.435 3.126 3.418 336 HB2 GLU 52 HB2 GLU 52 -2.427 3.526 2.588 337 HB3 GLU 52 HB1 GLU 52 -1.017 3.787 1.570 338 HG2 GLU 52 HG2 GLU 52 -0.431 1.419 1.816 339 HG3 GLU 52 HG1 GLU 52 -1.891 1.175 2.763 340 H GLU 53 HN GLU 53 -2.135 4.797 5.094 341 HA GLU 53 HA GLU 53 -1.746 7.411 4.315 342 HB2 GLU 53 HB2 GLU 53 -2.379 6.326 7.060 343 HB3 GLU 53 HB1 GLU 53 -2.503 8.024 6.622 344 HG2 GLU 53 HG2 GLU 53 -4.035 5.803 5.290 345 HG3 GLU 53 HG1 GLU 53 -4.659 6.816 6.591 346 H GLU 54 HN GLU 54 0.081 5.583 6.744 347 HA GLU 54 HA GLU 54 1.843 7.846 7.173 348 HB2 GLU 54 HB2 GLU 54 2.910 6.479 8.890 349 HB3 GLU 54 HB1 GLU 54 1.168 6.518 9.116 350 HG2 GLU 54 HG2 GLU 54 0.979 4.309 8.115 351 HG3 GLU 54 HG1 GLU 54 2.721 4.272 7.851 352 H LEU 55 HN LEU 55 1.662 5.183 5.124 353 HA LEU 55 HA LEU 55 4.511 4.732 4.902 354 HB2 LEU 55 HB2 LEU 55 2.248 3.656 3.224 355 HB3 LEU 55 HB1 LEU 55 3.915 3.127 3.142 356 HG LEU 55 HG LEU 55 2.091 2.803 5.526 357 HD11 LEU 55 HD11 LEU 55 2.134 0.440 4.991 358 HD12 LEU 55 HD12 LEU 55 3.153 0.756 3.586 359 HD13 LEU 55 HD13 LEU 55 1.497 1.364 3.629 360 HD21 LEU 55 HD21 LEU 55 3.900 1.400 6.419 361 HD22 LEU 55 HD22 LEU 55 4.395 3.081 6.222 362 HD23 LEU 55 HD23 LEU 55 4.917 1.866 5.056 363 H LEU 56 HN LEU 56 2.060 6.566 3.210 364 HA LEU 56 HA LEU 56 3.858 7.079 0.993 365 HB2 LEU 56 HB2 LEU 56 1.976 8.616 0.226 366 HB3 LEU 56 HB1 LEU 56 1.669 6.898 0.237 367 HG LEU 56 HG LEU 56 0.487 7.247 2.460 368 HD11 LEU 56 HD11 LEU 56 0.603 10.134 1.601 369 HD12 LEU 56 HD12 LEU 56 1.412 9.440 3.005 370 HD13 LEU 56 HD13 LEU 56 -0.349 9.481 2.933 371 HD21 LEU 56 HD21 LEU 56 -0.720 6.842 0.409 372 HD22 LEU 56 HD22 LEU 56 -0.610 8.547 -0.028 373 HD23 LEU 56 HD23 LEU 56 -1.565 8.055 1.372 374 H GLU 57 HN GLU 57 3.276 9.714 0.412 375 HA GLU 57 HA GLU 57 5.255 11.117 1.689 376 HB2 GLU 57 HB2 GLU 57 4.037 13.159 0.799 377 HB3 GLU 57 HB1 GLU 57 4.473 11.926 -0.374 378 HG2 GLU 57 HG2 GLU 57 2.122 11.042 -0.131 379 HG3 GLU 57 HG1 GLU 57 1.763 12.509 0.781 380 H ARG 58 HN ARG 58 5.479 11.725 3.717 381 HA ARG 58 HA ARG 58 3.085 12.532 5.214 382 HB2 ARG 58 HB2 ARG 58 5.696 11.369 6.166 383 HB3 ARG 58 HB1 ARG 58 4.558 12.148 7.256 384 HG2 ARG 58 HG2 ARG 58 2.835 10.492 6.390 385 HG3 ARG 58 HG1 ARG 58 4.198 9.625 5.676 386 HD2 ARG 58 HD2 ARG 58 3.891 10.315 8.598 387 HD3 ARG 58 HD1 ARG 58 3.582 8.735 7.883 388 HE ARG 58 HE ARG 58 6.151 9.306 7.167 389 HH11 ARG 58 HH11 ARG 58 4.455 9.240 10.232 390 HH12 ARG 58 HH12 ARG 58 5.823 8.649 11.119 391 HH21 ARG 58 HH21 ARG 58 7.964 8.551 8.341 392 HH22 ARG 58 HH22 ARG 58 7.817 8.259 10.046 393 H ASP 59 HN ASP 59 2.892 14.543 5.860 394 HA ASP 59 HA ASP 59 4.834 16.499 5.095 395 HB2 ASP 59 HB2 ASP 59 3.256 18.133 5.924 396 HB3 ASP 59 HB1 ASP 59 2.370 16.901 5.033 397 H GLU 60 HN GLU 60 4.162 14.699 7.955 398 HA GLU 60 HA GLU 60 5.340 16.538 9.806 399 HB2 GLU 60 HB2 GLU 60 4.702 13.597 10.047 400 HB3 GLU 60 HB1 GLU 60 5.273 14.598 11.373 401 HG2 GLU 60 HG2 GLU 60 3.282 15.997 11.178 402 HG3 GLU 60 HG1 GLU 60 2.708 14.987 9.849 403 H GLU 61 HN GLU 61 6.649 14.445 7.510 404 HA GLU 61 HA GLU 61 8.884 13.488 8.985 405 HB2 GLU 61 HB2 GLU 61 8.024 12.330 7.004 406 HB3 GLU 61 HB1 GLU 61 8.485 13.695 6.000 407 HG2 GLU 61 HG2 GLU 61 10.801 13.305 6.402 408 HG3 GLU 61 HG1 GLU 61 10.433 12.077 7.613 409 H GLU 62 HN GLU 62 8.901 15.750 6.204 410 HA GLU 62 HA GLU 62 10.528 17.626 7.619 411 HB2 GLU 62 HB2 GLU 62 12.196 15.863 7.053 412 HB3 GLU 62 HB1 GLU 62 11.849 16.127 5.352 413 HG2 GLU 62 HG2 GLU 62 13.871 17.279 5.971 414 HG3 GLU 62 HG1 GLU 62 12.615 18.451 5.574 415 H ALA 63 HN ALA 63 11.004 17.100 4.194 416 HA ALA 63 HA ALA 63 9.468 19.565 3.715 417 HB1 ALA 63 HB1 ALA 63 11.917 19.786 3.459 418 HB2 ALA 63 HB2 ALA 63 11.029 20.117 1.973 419 HB3 ALA 63 HB3 ALA 63 11.860 18.577 2.178 420 H ILE 64 HN ILE 64 7.628 18.128 3.424 421 HA ILE 64 HA ILE 64 7.627 16.841 0.777 422 HB ILE 64 HB ILE 64 6.243 15.890 3.289 423 HG12 ILE 64 HG12 ILE 64 7.600 13.765 2.551 424 HG13 ILE 64 HG11 ILE 64 8.596 14.940 1.704 425 HG21 ILE 64 HG21 ILE 64 4.779 15.577 1.375 426 HG22 ILE 64 HG22 ILE 64 5.394 14.032 1.963 427 HG23 ILE 64 HG23 ILE 64 6.074 14.754 0.505 428 HD11 ILE 64 HD11 ILE 64 9.098 16.068 3.763 429 HD12 ILE 64 HD12 ILE 64 9.462 14.349 3.928 430 HD13 ILE 64 HD13 ILE 64 7.995 15.015 4.646 431 H PHE 65 HN PHE 65 6.114 19.017 2.951 432 HA PHE 65 HA PHE 65 3.612 18.986 1.430 433 HB2 PHE 65 HB2 PHE 65 2.668 20.229 3.367 434 HB3 PHE 65 HB1 PHE 65 3.292 18.640 3.795 435 HD1 PHE 65 HD2 PHE 65 5.639 18.534 4.811 436 HD2 PHE 65 HD1 PHE 65 3.379 22.125 4.501 437 HE1 PHE 65 HE2 PHE 65 7.036 19.554 6.553 438 HE2 PHE 65 HE1 PHE 65 4.772 23.153 6.244 439 HZ PHE 65 HZ PHE 65 6.600 21.870 7.277 440 H GLY 66 HN GLY 66 2.923 20.698 0.302 441 HA2 GLY 66 HA2 GLY 66 2.967 22.717 -0.782 442 HA3 GLY 66 HA1 GLY 66 3.562 23.375 0.733 443 H ASP 67 HN ASP 67 5.366 24.462 0.511 444 HA ASP 67 HA ASP 67 7.038 24.218 -1.812 445 HB2 ASP 67 HB2 ASP 67 7.446 25.815 0.727 446 HB3 ASP 67 HB1 ASP 67 8.397 25.980 -0.742 447 H GLY 68 HN GLY 68 6.920 22.773 1.251 448 HA2 GLY 68 HA2 GLY 68 8.752 20.862 1.101 449 HA3 GLY 68 HA1 GLY 68 9.779 22.256 1.415 450 H PHE 69 HN PHE 69 9.441 23.458 3.376 451 HA PHE 69 HA PHE 69 7.729 22.332 5.402 452 HB2 PHE 69 HB2 PHE 69 9.464 21.778 6.991 453 HB3 PHE 69 HB1 PHE 69 9.753 20.883 5.509 454 HD1 PHE 69 HD1 PHE 69 11.553 21.671 3.948 455 HD2 PHE 69 HD2 PHE 69 11.083 23.224 7.879 456 HE1 PHE 69 HE1 PHE 69 13.871 22.494 3.896 457 HE2 PHE 69 HE2 PHE 69 13.396 24.057 7.831 458 HZ PHE 69 HZ PHE 69 14.793 23.691 5.840 459 H GLY 70 HN GLY 70 8.145 23.563 7.545 460 HA2 GLY 70 HA2 GLY 70 9.330 25.767 8.175 461 HA3 GLY 70 HA1 GLY 70 8.426 26.397 6.807 462 H LEU 71 HN LEU 71 7.432 24.095 9.314 463 HA LEU 71 HA LEU 71 5.491 26.093 10.264 464 HB2 LEU 71 HB2 LEU 71 5.014 23.143 9.844 465 HB3 LEU 71 HB1 LEU 71 3.906 24.213 10.678 466 HG LEU 71 HG LEU 71 4.699 24.419 7.772 467 HD11 LEU 71 HD11 LEU 71 3.268 22.498 8.237 468 HD12 LEU 71 HD12 LEU 71 2.398 23.737 7.332 469 HD13 LEU 71 HD13 LEU 71 2.117 23.549 9.062 470 HD21 LEU 71 HD21 LEU 71 2.720 26.014 9.398 471 HD22 LEU 71 HD22 LEU 71 2.923 26.112 7.649 472 HD23 LEU 71 HD23 LEU 71 4.235 26.607 8.717 473 H LYS 72 HN LYS 72 6.588 22.821 11.187 474 HA LYS 72 HA LYS 72 7.726 23.885 13.636 475 HB2 LYS 72 HB2 LYS 72 6.505 22.305 15.081 476 HB3 LYS 72 HB1 LYS 72 5.432 23.475 14.328 477 HG2 LYS 72 HG2 LYS 72 4.563 21.876 12.839 478 HG3 LYS 72 HG1 LYS 72 5.854 20.728 13.195 479 HD2 LYS 72 HD2 LYS 72 3.736 20.098 14.270 480 HD3 LYS 72 HD1 LYS 72 5.003 20.431 15.450 481 HE2 LYS 72 HE2 LYS 72 2.898 21.406 16.163 482 HE3 LYS 72 HE1 LYS 72 4.073 22.668 15.806 483 HZ1 LYS 72 HZ1 LYS 72 3.012 23.052 13.700 484 HZ2 LYS 72 HZ2 LYS 72 1.853 23.151 14.926 485 HZ3 LYS 72 HZ3 LYS 72 1.938 21.773 13.954 486 H ALA 73 HN ALA 73 9.105 22.403 14.702 487 HA ALA 73 HA ALA 73 9.688 19.901 13.310 488 HB1 ALA 73 HB1 ALA 73 11.756 22.040 13.815 489 HB2 ALA 73 HB2 ALA 73 11.157 21.515 12.241 490 HB3 ALA 73 HB3 ALA 73 12.095 20.408 13.244 491 H THR 74 HN THR 74 10.914 22.026 15.885 492 HA THR 74 HA THR 74 11.620 19.760 17.524 493 HB THR 74 HB THR 74 11.658 22.650 18.368 494 HG1 THR 74 HG1 THR 74 13.998 22.285 17.521 495 HG21 THR 74 HG21 THR 74 13.383 20.277 19.080 496 HG22 THR 74 HG22 THR 74 12.132 20.995 20.093 497 HG23 THR 74 HG23 THR 74 13.584 21.915 19.701 498 H ARG 75 HN ARG 75 9.771 18.733 18.225 499 HA ARG 75 HA ARG 75 7.887 20.375 19.783 500 HB2 ARG 75 HB2 ARG 75 6.196 18.624 19.341 501 HB3 ARG 75 HB1 ARG 75 6.785 19.390 17.872 502 HG2 ARG 75 HG2 ARG 75 8.134 17.485 17.342 503 HG3 ARG 75 HG1 ARG 75 7.774 16.738 18.899 504 HD2 ARG 75 HD2 ARG 75 5.362 16.723 18.232 505 HD3 ARG 75 HD1 ARG 75 5.864 17.255 16.629 506 HE ARG 75 HE ARG 75 7.357 15.062 16.954 507 HH11 ARG 75 HH11 ARG 75 3.938 15.650 17.413 508 HH12 ARG 75 HH12 ARG 75 3.486 14.000 17.131 509 HH21 ARG 75 HH21 ARG 75 6.763 12.885 16.561 510 HH22 ARG 75 HH22 ARG 75 5.092 12.428 16.635 511 H ARG 76 HN ARG 76 9.558 20.117 21.474 512 HA ARG 76 HA ARG 76 10.031 17.525 22.605 513 HB2 ARG 76 HB2 ARG 76 10.517 20.252 23.814 514 HB3 ARG 76 HB1 ARG 76 11.189 18.733 24.387 515 HG2 ARG 76 HG2 ARG 76 11.774 20.067 21.754 516 HG3 ARG 76 HG1 ARG 76 12.844 19.991 23.153 517 HD2 ARG 76 HD2 ARG 76 11.850 17.628 21.565 518 HD3 ARG 76 HD1 ARG 76 13.450 18.351 21.431 519 HE ARG 76 HE ARG 76 13.135 17.694 24.092 520 HH11 ARG 76 HH11 ARG 76 13.110 15.993 21.035 521 HH12 ARG 76 HH12 ARG 76 13.756 14.526 21.702 522 HH21 ARG 76 HH21 ARG 76 13.968 15.751 24.979 523 HH22 ARG 76 HH22 ARG 76 14.230 14.383 23.943 524 H SER 77 HN SER 77 7.660 19.976 22.969 525 HA SER 77 HA SER 77 6.687 18.911 25.493 526 HB2 SER 77 HB2 SER 77 4.994 20.824 25.153 527 HB3 SER 77 HB1 SER 77 6.672 21.264 25.464 528 HG SER 77 HG SER 77 5.775 22.433 23.706 529 H ARG 78 HN ARG 78 5.069 17.483 25.625 530 HA ARG 78 HA ARG 78 3.577 16.849 23.195 531 HB2 ARG 78 HB2 ARG 78 2.792 14.860 24.386 532 HB3 ARG 78 HB1 ARG 78 4.546 14.959 24.399 533 HG2 ARG 78 HG2 ARG 78 4.569 15.640 26.680 534 HG3 ARG 78 HG1 ARG 78 2.817 15.848 26.694 535 HD2 ARG 78 HD2 ARG 78 4.203 13.219 26.200 536 HD3 ARG 78 HD1 ARG 78 3.629 13.745 27.780 537 HE ARG 78 HE ARG 78 1.438 13.964 26.182 538 HH11 ARG 78 HH11 ARG 78 3.655 11.361 26.940 539 HH12 ARG 78 HH12 ARG 78 2.473 10.114 26.704 540 HH21 ARG 78 HH21 ARG 78 -0.126 12.323 25.886 541 HH22 ARG 78 HH22 ARG 78 0.324 10.661 26.100 542 H LYS 79 HN LYS 79 3.190 18.426 26.240 543 HA LYS 79 HA LYS 79 0.352 18.817 25.584 544 HB2 LYS 79 HB2 LYS 79 -0.227 18.798 27.956 545 HB3 LYS 79 HB1 LYS 79 0.482 17.270 27.463 546 HG2 LYS 79 HG2 LYS 79 2.629 17.994 28.448 547 HG3 LYS 79 HG1 LYS 79 1.835 19.464 29.020 548 HD2 LYS 79 HD2 LYS 79 0.234 18.056 30.278 549 HD3 LYS 79 HD1 LYS 79 1.129 16.626 29.769 550 HE2 LYS 79 HE2 LYS 79 1.839 17.184 31.977 551 HE3 LYS 79 HE1 LYS 79 3.149 17.590 30.871 552 HZ1 LYS 79 HZ1 LYS 79 2.425 19.905 30.951 553 HZ2 LYS 79 HZ2 LYS 79 2.832 19.331 32.486 554 HZ3 LYS 79 HZ3 LYS 79 1.207 19.500 32.052 555 H ALA 80 HN ALA 80 3.343 20.170 26.684 556 HA ALA 80 HA ALA 80 2.217 22.708 27.443 557 HB1 ALA 80 HB1 ALA 80 5.088 21.921 26.961 558 HB2 ALA 80 HB2 ALA 80 4.253 21.927 28.513 559 HB3 ALA 80 HB3 ALA 80 4.545 23.443 27.663 560 H GLU 81 HN GLU 81 1.057 22.674 25.267 561 HA GLU 81 HA GLU 81 2.701 24.126 23.296 562 HB2 GLU 81 HB2 GLU 81 1.736 21.914 22.543 563 HB3 GLU 81 HB1 GLU 81 0.140 22.622 22.756 564 HG2 GLU 81 HG2 GLU 81 0.732 24.359 21.106 565 HG3 GLU 81 HG1 GLU 81 2.271 23.541 20.846 566 H ARG 82 HN ARG 82 1.947 26.116 22.624 567 HA ARG 82 HA ARG 82 -0.633 27.011 23.656 568 HB2 ARG 82 HB2 ARG 82 1.219 27.455 25.352 569 HB3 ARG 82 HB1 ARG 82 1.891 28.584 24.188 570 HG2 ARG 82 HG2 ARG 82 0.619 29.786 25.824 571 HG3 ARG 82 HG1 ARG 82 -0.212 29.872 24.271 572 HD2 ARG 82 HD2 ARG 82 -1.773 29.465 26.113 573 HD3 ARG 82 HD1 ARG 82 -1.748 28.125 24.971 574 HE ARG 82 HE ARG 82 0.061 27.477 26.956 575 HH11 ARG 82 HH11 ARG 82 -3.367 28.167 26.770 576 HH12 ARG 82 HH12 ARG 82 -3.773 27.140 28.105 577 HH21 ARG 82 HH21 ARG 82 -0.477 26.125 28.718 578 HH22 ARG 82 HH22 ARG 82 -2.130 25.982 29.215 579 H ALA 83 HN ALA 83 -0.518 26.586 21.140 580 HA ALA 83 HA ALA 83 -0.101 29.202 19.878 581 HB1 ALA 83 HB1 ALA 83 1.895 27.901 19.376 582 HB2 ALA 83 HB2 ALA 83 0.935 28.155 17.919 583 HB3 ALA 83 HB3 ALA 83 0.898 26.594 18.738 584 H LYS 84 HN LYS 84 -1.326 25.904 19.380 585 HA LYS 84 HA LYS 84 -3.534 27.037 17.800 586 HB2 LYS 84 HB2 LYS 84 -2.256 24.298 17.714 587 HB3 LYS 84 HB1 LYS 84 -3.739 24.706 16.863 588 HG2 LYS 84 HG2 LYS 84 -1.104 26.100 16.428 589 HG3 LYS 84 HG1 LYS 84 -1.695 24.755 15.450 590 HD2 LYS 84 HD2 LYS 84 -3.693 26.092 14.882 591 HD3 LYS 84 HD1 LYS 84 -3.022 27.442 15.798 592 HE2 LYS 84 HE2 LYS 84 -1.118 27.548 14.297 593 HE3 LYS 84 HE1 LYS 84 -1.711 26.142 13.412 594 HZ1 LYS 84 HZ1 LYS 84 -3.060 28.781 13.611 595 HZ2 LYS 84 HZ2 LYS 84 -3.687 27.429 12.818 596 HZ3 LYS 84 HZ3 LYS 84 -2.275 28.157 12.248 597 H LEU 85 HN LEU 85 -4.710 27.496 19.739 598 HA LEU 85 HA LEU 85 -5.840 25.081 20.988 599 HB2 LEU 85 HB2 LEU 85 -5.371 27.799 22.210 600 HB3 LEU 85 HB1 LEU 85 -6.292 26.521 22.979 601 HG LEU 85 HG LEU 85 -3.361 26.367 22.268 602 HD11 LEU 85 HD11 LEU 85 -3.013 26.447 24.690 603 HD12 LEU 85 HD12 LEU 85 -4.741 26.703 24.926 604 HD13 LEU 85 HD13 LEU 85 -3.776 27.919 24.089 605 HD21 LEU 85 HD21 LEU 85 -5.144 24.456 23.770 606 HD22 LEU 85 HD22 LEU 85 -3.397 24.306 23.595 607 HD23 LEU 85 HD23 LEU 85 -4.438 24.189 22.177 Start of MODEL 19 1 H1 GLY 11 HT1 GLY 11 -26.352 -12.197 0.405 2 H2 GLY 11 HT2 GLY 11 -25.286 -12.188 -0.907 3 H3 GLY 11 HT3 GLY 11 -26.374 -10.916 -0.699 4 HA2 GLY 11 HA1 GLY 11 -25.266 -10.284 1.361 5 HA3 GLY 11 HA2 GLY 11 -24.122 -11.593 1.105 6 H ARG 12 HN ARG 12 -24.115 -8.471 1.086 7 HA ARG 12 HA ARG 12 -22.186 -8.240 -1.059 8 HB2 ARG 12 HB2 ARG 12 -23.323 -6.354 -2.138 9 HB3 ARG 12 HB1 ARG 12 -24.305 -7.810 -2.215 10 HG2 ARG 12 HG2 ARG 12 -25.541 -6.945 -0.203 11 HG3 ARG 12 HG1 ARG 12 -24.684 -5.420 -0.439 12 HD2 ARG 12 HD2 ARG 12 -26.861 -5.321 -1.492 13 HD3 ARG 12 HD1 ARG 12 -25.592 -5.287 -2.716 14 HE ARG 12 HE ARG 12 -26.450 -7.948 -2.292 15 HH11 ARG 12 HH11 ARG 12 -27.530 -4.941 -3.725 16 HH12 ARG 12 HH12 ARG 12 -28.519 -5.717 -4.920 17 HH21 ARG 12 HH21 ARG 12 -27.760 -8.974 -3.852 18 HH22 ARG 12 HH22 ARG 12 -28.658 -8.014 -4.984 19 HA PRO 13 HA PRO 13 -20.467 -5.315 1.781 20 HB2 PRO 13 HB2 PRO 13 -19.325 -3.681 -0.318 21 HB3 PRO 13 HB1 PRO 13 -18.518 -4.846 0.732 22 HG2 PRO 13 HG2 PRO 13 -18.861 -5.221 -1.950 23 HG3 PRO 13 HG1 PRO 13 -18.726 -6.547 -0.783 24 HD2 PRO 13 HD2 PRO 13 -21.179 -5.379 -2.049 25 HD3 PRO 13 HD1 PRO 13 -20.773 -7.079 -1.730 26 H GLY 14 HN GLY 14 -22.978 -4.643 1.771 27 HA2 GLY 14 HA2 GLY 14 -23.193 -1.833 0.935 28 HA3 GLY 14 HA1 GLY 14 -24.530 -2.878 1.397 29 H VAL 15 HN VAL 15 -22.257 -3.538 3.594 30 HA VAL 15 HA VAL 15 -23.594 -2.102 5.654 31 HB VAL 15 HB VAL 15 -21.941 -3.084 7.182 32 HG11 VAL 15 HG11 VAL 15 -23.879 -4.393 6.562 33 HG12 VAL 15 HG12 VAL 15 -22.477 -5.447 6.745 34 HG13 VAL 15 HG13 VAL 15 -23.042 -5.003 5.135 35 HG21 VAL 15 HG21 VAL 15 -20.213 -4.603 6.334 36 HG22 VAL 15 HG22 VAL 15 -19.963 -2.952 5.763 37 HG23 VAL 15 HG23 VAL 15 -20.645 -4.165 4.681 38 H PHE 16 HN PHE 16 -20.555 -1.697 3.955 39 HA PHE 16 HA PHE 16 -20.444 1.064 4.773 40 HB2 PHE 16 HB2 PHE 16 -19.209 -0.225 6.573 41 HB3 PHE 16 HB1 PHE 16 -18.056 -0.707 5.333 42 HD1 PHE 16 HD2 PHE 16 -19.468 2.180 7.136 43 HD2 PHE 16 HD1 PHE 16 -16.344 0.760 4.623 44 HE1 PHE 16 HE2 PHE 16 -18.229 4.275 7.501 45 HE2 PHE 16 HE1 PHE 16 -15.098 2.851 4.984 46 HZ PHE 16 HZ PHE 16 -16.042 4.613 6.422 47 H ARG 17 HN ARG 17 -19.450 2.296 3.279 48 HA ARG 17 HA ARG 17 -18.583 0.855 0.868 49 HB2 ARG 17 HB2 ARG 17 -20.034 3.493 1.109 50 HB3 ARG 17 HB1 ARG 17 -19.542 2.741 -0.404 51 HG2 ARG 17 HG2 ARG 17 -21.496 1.583 1.572 52 HG3 ARG 17 HG1 ARG 17 -21.918 2.411 0.073 53 HD2 ARG 17 HD2 ARG 17 -20.297 -0.125 0.282 54 HD3 ARG 17 HD1 ARG 17 -22.000 -0.030 -0.164 55 HE ARG 17 HE ARG 17 -20.374 1.603 -1.842 56 HH11 ARG 17 HH11 ARG 17 -21.349 -1.709 -1.272 57 HH12 ARG 17 HH12 ARG 17 -21.149 -2.181 -2.930 58 HH21 ARG 17 HH21 ARG 17 -20.118 0.992 -4.018 59 HH22 ARG 17 HH22 ARG 17 -20.455 -0.642 -4.495 60 H THR 18 HN THR 18 -17.649 2.959 -0.612 61 HA THR 18 HA THR 18 -15.039 3.284 0.285 62 HB THR 18 HB THR 18 -15.041 5.197 -1.457 63 HG1 THR 18 HG1 THR 18 -16.994 5.727 -2.075 64 HG21 THR 18 HG21 THR 18 -15.117 3.555 -3.316 65 HG22 THR 18 HG22 THR 18 -15.760 2.357 -2.187 66 HG23 THR 18 HG23 THR 18 -14.143 3.019 -1.949 67 H ARG 19 HN ARG 19 -14.214 4.517 1.848 68 HA ARG 19 HA ARG 19 -15.704 6.717 2.966 69 HB2 ARG 19 HB2 ARG 19 -13.749 6.965 4.490 70 HB3 ARG 19 HB1 ARG 19 -14.448 5.354 4.508 71 HG2 ARG 19 HG2 ARG 19 -12.655 4.454 3.268 72 HG3 ARG 19 HG1 ARG 19 -12.056 6.055 2.834 73 HD2 ARG 19 HD2 ARG 19 -12.142 4.971 5.649 74 HD3 ARG 19 HD1 ARG 19 -10.720 4.922 4.602 75 HE ARG 19 HE ARG 19 -11.649 7.568 4.739 76 HH11 ARG 19 HH11 ARG 19 -10.174 5.164 6.821 77 HH12 ARG 19 HH12 ARG 19 -9.317 6.332 7.774 78 HH21 ARG 19 HH21 ARG 19 -10.525 9.110 5.987 79 HH22 ARG 19 HH22 ARG 19 -9.527 8.584 7.309 80 H GLY 20 HN GLY 20 -15.483 7.462 0.494 81 HA2 GLY 20 HA2 GLY 20 -14.761 9.150 -0.888 82 HA3 GLY 20 HA1 GLY 20 -13.839 9.784 0.467 83 H LEU 21 HN LEU 21 -13.699 6.765 -1.384 84 HA LEU 21 HA LEU 21 -10.821 6.925 -1.402 85 HB2 LEU 21 HB2 LEU 21 -12.637 4.829 -1.563 86 HB3 LEU 21 HB1 LEU 21 -11.964 4.939 -3.183 87 HG LEU 21 HG LEU 21 -9.696 4.862 -2.154 88 HD11 LEU 21 HD11 LEU 21 -10.374 5.591 0.068 89 HD12 LEU 21 HD12 LEU 21 -9.443 4.097 0.084 90 HD13 LEU 21 HD13 LEU 21 -11.197 4.048 0.300 91 HD21 LEU 21 HD21 LEU 21 -9.647 2.514 -1.995 92 HD22 LEU 21 HD22 LEU 21 -10.918 2.908 -3.156 93 HD23 LEU 21 HD23 LEU 21 -11.336 2.447 -1.507 94 H THR 22 HN THR 22 -9.635 7.790 -2.920 95 HA THR 22 HA THR 22 -10.899 9.116 -5.117 96 HB THR 22 HB THR 22 -8.573 9.786 -5.711 97 HG1 THR 22 HG1 THR 22 -7.901 8.297 -3.357 98 HG21 THR 22 HG21 THR 22 -9.880 11.156 -4.196 99 HG22 THR 22 HG22 THR 22 -8.205 11.113 -3.644 100 HG23 THR 22 HG23 THR 22 -9.429 10.133 -2.832 101 H ASP 23 HN ASP 23 -10.091 8.827 -7.389 102 HA ASP 23 HA ASP 23 -10.873 6.336 -8.266 103 HB2 ASP 23 HB2 ASP 23 -10.889 8.281 -9.725 104 HB3 ASP 23 HB1 ASP 23 -9.129 8.341 -9.709 105 H GLU 24 HN GLU 24 -7.555 7.504 -7.770 106 HA GLU 24 HA GLU 24 -6.264 5.220 -8.789 107 HB2 GLU 24 HB2 GLU 24 -5.404 7.308 -6.794 108 HB3 GLU 24 HB1 GLU 24 -4.350 5.982 -7.265 109 HG2 GLU 24 HG2 GLU 24 -5.534 8.027 -9.122 110 HG3 GLU 24 HG1 GLU 24 -3.878 8.019 -8.515 111 H GLU 25 HN GLU 25 -7.197 6.038 -5.444 112 HA GLU 25 HA GLU 25 -6.183 3.674 -4.270 113 HB2 GLU 25 HB2 GLU 25 -8.536 5.325 -3.315 114 HB3 GLU 25 HB1 GLU 25 -7.603 4.187 -2.359 115 HG2 GLU 25 HG2 GLU 25 -5.708 5.564 -2.384 116 HG3 GLU 25 HG1 GLU 25 -6.390 6.627 -3.612 117 H TYR 26 HN TYR 26 -9.319 4.549 -5.591 118 HA TYR 26 HA TYR 26 -10.627 2.146 -4.885 119 HB2 TYR 26 HB2 TYR 26 -11.817 4.240 -5.442 120 HB3 TYR 26 HB1 TYR 26 -11.284 4.078 -7.107 121 HD1 TYR 26 HD2 TYR 26 -13.167 2.217 -4.484 122 HD2 TYR 26 HD1 TYR 26 -12.628 2.973 -8.630 123 HE1 TYR 26 HE2 TYR 26 -15.114 0.813 -4.984 124 HE2 TYR 26 HE1 TYR 26 -14.560 1.572 -9.146 125 HH TYR 26 HH TYR 26 -16.785 0.548 -6.802 126 H ASP 27 HN ASP 27 -8.911 3.199 -7.789 127 HA ASP 27 HA ASP 27 -9.342 0.948 -9.397 128 HB2 ASP 27 HB2 ASP 27 -8.268 2.989 -10.246 129 HB3 ASP 27 HB1 ASP 27 -6.898 2.713 -9.187 130 H GLU 28 HN GLU 28 -6.784 1.643 -7.042 131 HA GLU 28 HA GLU 28 -5.380 -0.777 -7.280 132 HB2 GLU 28 HB2 GLU 28 -4.448 1.181 -6.158 133 HB3 GLU 28 HB1 GLU 28 -5.692 1.101 -4.925 134 HG2 GLU 28 HG2 GLU 28 -4.751 -0.698 -3.888 135 HG3 GLU 28 HG1 GLU 28 -3.906 -1.239 -5.330 136 H PHE 29 HN PHE 29 -7.944 0.261 -5.118 137 HA PHE 29 HA PHE 29 -8.381 -2.047 -3.649 138 HB2 PHE 29 HB2 PHE 29 -9.489 -0.006 -3.093 139 HB3 PHE 29 HB1 PHE 29 -10.244 0.095 -4.676 140 HD1 PHE 29 HD1 PHE 29 -10.054 -2.351 -1.885 141 HD2 PHE 29 HD2 PHE 29 -12.476 -0.329 -4.728 142 HE1 PHE 29 HE1 PHE 29 -12.034 -3.445 -0.960 143 HE2 PHE 29 HE2 PHE 29 -14.476 -1.421 -3.805 144 HZ PHE 29 HZ PHE 29 -14.249 -2.967 -1.903 145 H LYS 30 HN LYS 30 -9.739 -1.119 -6.798 146 HA LYS 30 HA LYS 30 -11.352 -3.382 -7.192 147 HB2 LYS 30 HB2 LYS 30 -9.973 -1.543 -9.155 148 HB3 LYS 30 HB1 LYS 30 -11.111 -2.790 -9.640 149 HG2 LYS 30 HG2 LYS 30 -12.911 -1.688 -8.699 150 HG3 LYS 30 HG1 LYS 30 -11.898 -0.725 -7.635 151 HD2 LYS 30 HD2 LYS 30 -12.881 0.565 -9.484 152 HD3 LYS 30 HD1 LYS 30 -11.123 0.584 -9.482 153 HE2 LYS 30 HE2 LYS 30 -11.952 0.290 -11.708 154 HE3 LYS 30 HE1 LYS 30 -11.117 -1.159 -11.189 155 HZ1 LYS 30 HZ1 LYS 30 -13.293 -2.139 -10.688 156 HZ2 LYS 30 HZ2 LYS 30 -13.139 -1.740 -12.320 157 HZ3 LYS 30 HZ3 LYS 30 -14.055 -0.759 -11.296 158 H LYS 31 HN LYS 31 -8.028 -2.717 -8.275 159 HA LYS 31 HA LYS 31 -7.555 -5.160 -9.539 160 HB2 LYS 31 HB2 LYS 31 -5.622 -3.363 -8.084 161 HB3 LYS 31 HB1 LYS 31 -5.155 -4.684 -9.148 162 HG2 LYS 31 HG2 LYS 31 -6.259 -3.573 -11.017 163 HG3 LYS 31 HG1 LYS 31 -6.745 -2.256 -9.954 164 HD2 LYS 31 HD2 LYS 31 -3.901 -3.053 -10.550 165 HD3 LYS 31 HD1 LYS 31 -4.756 -1.711 -11.305 166 HE2 LYS 31 HE2 LYS 31 -4.992 -0.614 -9.175 167 HE3 LYS 31 HE1 LYS 31 -4.261 -1.994 -8.357 168 HZ1 LYS 31 HZ1 LYS 31 -2.888 -0.289 -10.363 169 HZ2 LYS 31 HZ2 LYS 31 -2.194 -1.555 -9.483 170 HZ3 LYS 31 HZ3 LYS 31 -2.701 -0.152 -8.688 171 H ARG 32 HN ARG 32 -6.996 -4.157 -6.205 172 HA ARG 32 HA ARG 32 -5.992 -6.563 -5.203 173 HB2 ARG 32 HB2 ARG 32 -7.504 -4.315 -3.947 174 HB3 ARG 32 HB1 ARG 32 -6.944 -5.674 -3.002 175 HG2 ARG 32 HG2 ARG 32 -4.642 -5.166 -3.646 176 HG3 ARG 32 HG1 ARG 32 -5.218 -3.793 -4.598 177 HD2 ARG 32 HD2 ARG 32 -6.225 -2.873 -2.523 178 HD3 ARG 32 HD1 ARG 32 -5.446 -4.171 -1.620 179 HE ARG 32 HE ARG 32 -3.686 -2.539 -3.239 180 HH11 ARG 32 HH11 ARG 32 -5.041 -3.160 -0.074 181 HH12 ARG 32 HH12 ARG 32 -3.893 -2.150 0.758 182 HH21 ARG 32 HH21 ARG 32 -2.232 -1.149 -2.174 183 HH22 ARG 32 HH22 ARG 32 -2.329 -0.963 -0.446 184 H ARG 33 HN ARG 33 -9.324 -5.334 -5.288 185 HA ARG 33 HA ARG 33 -10.511 -7.554 -4.042 186 HB2 ARG 33 HB2 ARG 33 -11.686 -5.458 -4.166 187 HB3 ARG 33 HB1 ARG 33 -11.674 -5.498 -5.920 188 HG2 ARG 33 HG2 ARG 33 -13.298 -7.149 -6.019 189 HG3 ARG 33 HG1 ARG 33 -13.017 -7.667 -4.360 190 HD2 ARG 33 HD2 ARG 33 -14.007 -5.661 -3.506 191 HD3 ARG 33 HD1 ARG 33 -14.191 -4.991 -5.125 192 HE ARG 33 HE ARG 33 -15.522 -7.524 -4.514 193 HH11 ARG 33 HH11 ARG 33 -15.808 -4.068 -5.060 194 HH12 ARG 33 HH12 ARG 33 -17.526 -4.125 -5.279 195 HH21 ARG 33 HH21 ARG 33 -17.771 -7.590 -4.809 196 HH22 ARG 33 HH22 ARG 33 -18.642 -6.127 -5.137 197 H GLU 34 HN GLU 34 -9.829 -6.848 -7.409 198 HA GLU 34 HA GLU 34 -11.038 -9.075 -8.597 199 HB2 GLU 34 HB2 GLU 34 -10.119 -7.198 -9.869 200 HB3 GLU 34 HB1 GLU 34 -8.496 -7.610 -9.338 201 HG2 GLU 34 HG2 GLU 34 -8.753 -9.793 -10.518 202 HG3 GLU 34 HG1 GLU 34 -10.274 -9.187 -11.175 203 H SER 35 HN SER 35 -7.801 -8.634 -7.244 204 HA SER 35 HA SER 35 -6.820 -11.204 -7.789 205 HB2 SER 35 HB2 SER 35 -6.046 -9.180 -5.683 206 HB3 SER 35 HB1 SER 35 -5.113 -10.634 -6.052 207 HG SER 35 HG SER 35 -4.586 -9.834 -7.991 208 H ARG 36 HN ARG 36 -8.807 -9.998 -5.163 209 HA ARG 36 HA ARG 36 -8.532 -12.487 -3.683 210 HB2 ARG 36 HB2 ARG 36 -9.918 -9.896 -3.173 211 HB3 ARG 36 HB1 ARG 36 -10.440 -11.316 -2.292 212 HG2 ARG 36 HG2 ARG 36 -8.903 -10.572 -0.813 213 HG3 ARG 36 HG1 ARG 36 -7.808 -11.488 -1.853 214 HD2 ARG 36 HD2 ARG 36 -7.462 -9.373 -3.155 215 HD3 ARG 36 HD1 ARG 36 -8.364 -8.540 -1.901 216 HE ARG 36 HE ARG 36 -6.522 -9.622 -0.399 217 HH11 ARG 36 HH11 ARG 36 -6.112 -8.260 -3.597 218 HH12 ARG 36 HH12 ARG 36 -4.485 -7.730 -3.307 219 HH21 ARG 36 HH21 ARG 36 -4.363 -8.919 -0.019 220 HH22 ARG 36 HH22 ARG 36 -3.502 -8.098 -1.282 221 H GLY 37 HN GLY 37 -9.901 -12.043 -6.435 222 HA2 GLY 37 HA2 GLY 37 -11.556 -13.139 -7.579 223 HA3 GLY 37 HA1 GLY 37 -11.767 -14.147 -6.155 224 H GLY 38 HN GLY 38 -12.099 -10.685 -6.007 225 HA2 GLY 38 HA2 GLY 38 -14.068 -9.395 -6.072 226 HA3 GLY 38 HA1 GLY 38 -15.016 -10.867 -6.087 227 H LYS 39 HN LYS 39 -13.238 -11.872 -3.837 228 HA LYS 39 HA LYS 39 -14.965 -10.873 -1.751 229 HB2 LYS 39 HB2 LYS 39 -12.845 -13.013 -1.714 230 HB3 LYS 39 HB1 LYS 39 -13.882 -12.606 -0.351 231 HG2 LYS 39 HG2 LYS 39 -15.116 -14.289 -1.188 232 HG3 LYS 39 HG1 LYS 39 -15.757 -13.002 -2.201 233 HD2 LYS 39 HD2 LYS 39 -14.284 -13.604 -3.998 234 HD3 LYS 39 HD1 LYS 39 -13.474 -14.802 -2.986 235 HE2 LYS 39 HE2 LYS 39 -16.376 -14.879 -3.800 236 HE3 LYS 39 HE1 LYS 39 -15.086 -15.822 -4.544 237 HZ1 LYS 39 HZ1 LYS 39 -15.882 -15.994 -1.688 238 HZ2 LYS 39 HZ2 LYS 39 -14.720 -16.946 -2.461 239 HZ3 LYS 39 HZ3 LYS 39 -16.351 -17.086 -2.888 240 H TYR 40 HN TYR 40 -13.995 -8.714 -1.981 241 HA TYR 40 HA TYR 40 -11.968 -8.329 0.059 242 HB2 TYR 40 HB2 TYR 40 -10.796 -8.575 -2.187 243 HB3 TYR 40 HB1 TYR 40 -11.601 -7.086 -2.657 244 HD1 TYR 40 HD1 TYR 40 -9.697 -8.267 0.336 245 HD2 TYR 40 HD2 TYR 40 -10.217 -5.256 -2.618 246 HE1 TYR 40 HE1 TYR 40 -7.858 -6.982 1.333 247 HE2 TYR 40 HE2 TYR 40 -8.374 -3.963 -1.632 248 HH TYR 40 HH TYR 40 -6.258 -5.277 0.718 249 H SER 41 HN SER 41 -13.381 -7.133 1.311 250 HA SER 41 HA SER 41 -15.192 -5.262 0.101 251 HB2 SER 41 HB2 SER 41 -14.748 -4.905 2.914 252 HB3 SER 41 HB1 SER 41 -16.235 -5.274 2.075 253 HG SER 41 HG SER 41 -14.237 -7.074 2.984 254 H ILE 42 HN ILE 42 -15.252 -2.963 0.948 255 HA ILE 42 HA ILE 42 -12.825 -1.684 0.320 256 HB ILE 42 HB ILE 42 -15.222 -0.716 0.269 257 HG12 ILE 42 HG12 ILE 42 -14.208 1.602 0.825 258 HG13 ILE 42 HG11 ILE 42 -12.736 0.689 1.126 259 HG21 ILE 42 HG21 ILE 42 -15.764 -1.070 2.618 260 HG22 ILE 42 HG22 ILE 42 -15.838 0.639 2.188 261 HG23 ILE 42 HG23 ILE 42 -14.450 0.012 3.084 262 HD11 ILE 42 HD11 ILE 42 -12.910 1.665 -1.134 263 HD12 ILE 42 HD12 ILE 42 -14.245 0.559 -1.442 264 HD13 ILE 42 HD13 ILE 42 -12.636 -0.072 -1.090 265 H ASP 43 HN ASP 43 -14.291 -2.673 3.347 266 HA ASP 43 HA ASP 43 -12.618 -1.261 5.092 267 HB2 ASP 43 HB2 ASP 43 -14.099 -3.848 5.463 268 HB3 ASP 43 HB1 ASP 43 -13.315 -2.988 6.769 269 H ASP 44 HN ASP 44 -12.294 -4.441 3.607 270 HA ASP 44 HA ASP 44 -9.989 -5.324 4.920 271 HB2 ASP 44 HB2 ASP 44 -10.878 -5.771 2.061 272 HB3 ASP 44 HB1 ASP 44 -9.548 -6.624 2.819 273 H TYR 45 HN TYR 45 -10.420 -3.316 2.068 274 HA TYR 45 HA TYR 45 -7.651 -2.856 1.612 275 HB2 TYR 45 HB2 TYR 45 -9.216 -2.587 -0.201 276 HB3 TYR 45 HB1 TYR 45 -10.134 -1.388 0.700 277 HD1 TYR 45 HD2 TYR 45 -6.935 -2.012 -1.029 278 HD2 TYR 45 HD1 TYR 45 -9.523 0.893 0.671 279 HE1 TYR 45 HE2 TYR 45 -5.566 -0.237 -2.041 280 HE2 TYR 45 HE1 TYR 45 -8.153 2.701 -0.320 281 HH TYR 45 HH TYR 45 -5.719 2.949 -1.092 282 H LEU 46 HN LEU 46 -10.196 -1.148 3.337 283 HA LEU 46 HA LEU 46 -8.817 1.264 3.749 284 HB2 LEU 46 HB2 LEU 46 -11.067 0.020 5.317 285 HB3 LEU 46 HB1 LEU 46 -10.523 1.671 5.501 286 HG LEU 46 HG LEU 46 -11.746 0.480 3.022 287 HD11 LEU 46 HD11 LEU 46 -13.580 2.027 3.494 288 HD12 LEU 46 HD12 LEU 46 -12.773 2.532 4.979 289 HD13 LEU 46 HD13 LEU 46 -13.353 0.875 4.810 290 HD21 LEU 46 HD21 LEU 46 -11.704 2.786 2.171 291 HD22 LEU 46 HD22 LEU 46 -10.097 2.097 2.391 292 HD23 LEU 46 HD23 LEU 46 -10.726 3.253 3.562 293 H ALA 47 HN ALA 47 -9.022 -1.672 5.718 294 HA ALA 47 HA ALA 47 -7.627 -0.648 7.963 295 HB1 ALA 47 HB1 ALA 47 -7.812 -3.488 6.965 296 HB2 ALA 47 HB2 ALA 47 -8.936 -2.703 8.071 297 HB3 ALA 47 HB3 ALA 47 -7.270 -2.992 8.567 298 H ASP 48 HN ASP 48 -6.553 -2.109 4.952 299 HA ASP 48 HA ASP 48 -3.781 -2.084 5.728 300 HB2 ASP 48 HB2 ASP 48 -4.662 -3.685 4.048 301 HB3 ASP 48 HB1 ASP 48 -5.009 -2.337 2.971 302 H ARG 49 HN ARG 49 -5.991 -0.063 3.925 303 HA ARG 49 HA ARG 49 -4.295 1.899 2.924 304 HB2 ARG 49 HB2 ARG 49 -6.735 1.657 2.465 305 HB3 ARG 49 HB1 ARG 49 -7.054 2.288 4.075 306 HG2 ARG 49 HG2 ARG 49 -6.096 4.399 3.497 307 HG3 ARG 49 HG1 ARG 49 -5.593 3.784 1.922 308 HD2 ARG 49 HD2 ARG 49 -7.928 3.390 1.355 309 HD3 ARG 49 HD1 ARG 49 -8.430 4.070 2.893 310 HE ARG 49 HE ARG 49 -7.159 5.566 0.685 311 HH11 ARG 49 HH11 ARG 49 -8.948 5.558 3.696 312 HH12 ARG 49 HH12 ARG 49 -9.480 7.200 3.524 313 HH21 ARG 49 HH21 ARG 49 -7.871 7.709 0.451 314 HH22 ARG 49 HH22 ARG 49 -8.874 8.426 1.685 315 H GLU 50 HN GLU 50 -5.899 1.654 6.073 316 HA GLU 50 HA GLU 50 -4.964 3.967 7.284 317 HB2 GLU 50 HB2 GLU 50 -5.580 1.240 8.423 318 HB3 GLU 50 HB1 GLU 50 -5.153 2.614 9.435 319 HG2 GLU 50 HG2 GLU 50 -7.490 2.539 7.541 320 HG3 GLU 50 HG1 GLU 50 -7.581 2.215 9.272 321 H ARG 51 HN ARG 51 -3.353 0.951 6.647 322 HA ARG 51 HA ARG 51 -1.087 1.508 8.333 323 HB2 ARG 51 HB2 ARG 51 -1.358 -0.569 6.164 324 HB3 ARG 51 HB1 ARG 51 -0.156 -0.535 7.446 325 HG2 ARG 51 HG2 ARG 51 -2.527 -0.481 8.818 326 HG3 ARG 51 HG1 ARG 51 -2.873 -1.545 7.457 327 HD2 ARG 51 HD2 ARG 51 -0.841 -2.827 7.983 328 HD3 ARG 51 HD1 ARG 51 -0.588 -1.798 9.393 329 HE ARG 51 HE ARG 51 -3.165 -3.102 9.306 330 HH11 ARG 51 HH11 ARG 51 0.158 -3.327 10.371 331 HH12 ARG 51 HH12 ARG 51 -0.172 -4.515 11.589 332 HH21 ARG 51 HH21 ARG 51 -3.610 -4.678 10.905 333 HH22 ARG 51 HH22 ARG 51 -2.321 -5.284 11.894 334 H GLU 52 HN GLU 52 -1.998 1.911 5.007 335 HA GLU 52 HA GLU 52 0.556 2.019 3.869 336 HB2 GLU 52 HB2 GLU 52 -1.980 3.298 2.876 337 HB3 GLU 52 HB1 GLU 52 -0.517 3.049 1.931 338 HG2 GLU 52 HG2 GLU 52 -0.764 0.600 2.411 339 HG3 GLU 52 HG1 GLU 52 -2.350 0.973 3.062 340 H GLU 53 HN GLU 53 -1.273 4.448 5.546 341 HA GLU 53 HA GLU 53 -0.083 6.727 4.412 342 HB2 GLU 53 HB2 GLU 53 -1.141 6.456 7.226 343 HB3 GLU 53 HB1 GLU 53 -0.965 7.942 6.301 344 HG2 GLU 53 HG2 GLU 53 -2.594 7.006 4.654 345 HG3 GLU 53 HG1 GLU 53 -2.870 5.679 5.779 346 H GLU 54 HN GLU 54 0.951 4.632 7.042 347 HA GLU 54 HA GLU 54 3.205 6.353 7.667 348 HB2 GLU 54 HB2 GLU 54 3.758 4.644 9.365 349 HB3 GLU 54 HB1 GLU 54 2.109 5.229 9.520 350 HG2 GLU 54 HG2 GLU 54 1.412 3.193 8.185 351 HG3 GLU 54 HG1 GLU 54 3.049 2.596 8.441 352 H LEU 55 HN LEU 55 2.471 3.870 5.537 353 HA LEU 55 HA LEU 55 5.180 2.826 5.344 354 HB2 LEU 55 HB2 LEU 55 2.704 2.122 3.767 355 HB3 LEU 55 HB1 LEU 55 4.223 1.251 3.736 356 HG LEU 55 HG LEU 55 2.468 1.538 6.174 357 HD11 LEU 55 HD11 LEU 55 2.826 -0.833 4.349 358 HD12 LEU 55 HD12 LEU 55 1.392 0.189 4.436 359 HD13 LEU 55 HD13 LEU 55 1.863 -0.785 5.828 360 HD21 LEU 55 HD21 LEU 55 4.914 -0.138 5.652 361 HD22 LEU 55 HD22 LEU 55 3.902 -0.226 7.093 362 HD23 LEU 55 HD23 LEU 55 4.802 1.247 6.737 363 H LEU 56 HN LEU 56 2.933 4.815 3.539 364 HA LEU 56 HA LEU 56 4.275 4.947 1.084 365 HB2 LEU 56 HB2 LEU 56 2.147 6.409 2.455 366 HB3 LEU 56 HB1 LEU 56 3.073 7.413 1.359 367 HG LEU 56 HG LEU 56 2.521 5.976 -0.509 368 HD11 LEU 56 HD11 LEU 56 2.507 3.822 0.611 369 HD12 LEU 56 HD12 LEU 56 0.988 4.078 -0.247 370 HD13 LEU 56 HD13 LEU 56 1.057 4.276 1.504 371 HD21 LEU 56 HD21 LEU 56 0.098 6.637 1.160 372 HD22 LEU 56 HD22 LEU 56 0.100 6.327 -0.578 373 HD23 LEU 56 HD23 LEU 56 0.943 7.736 0.069 374 H GLU 57 HN GLU 57 4.541 6.978 3.962 375 HA GLU 57 HA GLU 57 6.847 8.318 2.741 376 HB2 GLU 57 HB2 GLU 57 6.552 10.014 4.527 377 HB3 GLU 57 HB1 GLU 57 5.141 9.864 3.489 378 HG2 GLU 57 HG2 GLU 57 4.001 8.556 5.172 379 HG3 GLU 57 HG1 GLU 57 5.435 8.587 6.198 380 H ARG 58 HN ARG 58 8.841 7.939 3.508 381 HA ARG 58 HA ARG 58 9.218 7.128 6.250 382 HB2 ARG 58 HB2 ARG 58 8.784 5.017 4.801 383 HB3 ARG 58 HB1 ARG 58 10.389 5.321 4.148 384 HG2 ARG 58 HG2 ARG 58 10.643 3.739 5.888 385 HG3 ARG 58 HG1 ARG 58 11.245 5.277 6.513 386 HD2 ARG 58 HD2 ARG 58 8.980 5.634 7.529 387 HD3 ARG 58 HD1 ARG 58 8.583 3.983 7.069 388 HE ARG 58 HE ARG 58 10.984 4.249 8.658 389 HH11 ARG 58 HH11 ARG 58 7.509 3.812 8.708 390 HH12 ARG 58 HH12 ARG 58 7.497 3.100 10.288 391 HH21 ARG 58 HH21 ARG 58 10.969 3.342 10.744 392 HH22 ARG 58 HH22 ARG 58 9.461 2.824 11.446 393 H ASP 59 HN ASP 59 10.482 8.839 6.626 394 HA ASP 59 HA ASP 59 12.420 9.990 5.012 395 HB2 ASP 59 HB2 ASP 59 12.435 9.727 8.026 396 HB3 ASP 59 HB1 ASP 59 13.388 10.872 7.092 397 H GLU 60 HN GLU 60 12.547 7.154 7.003 398 HA GLU 60 HA GLU 60 15.391 6.947 7.124 399 HB2 GLU 60 HB2 GLU 60 13.262 4.888 7.714 400 HB3 GLU 60 HB1 GLU 60 14.957 4.772 8.163 401 HG2 GLU 60 HG2 GLU 60 14.737 6.672 9.635 402 HG3 GLU 60 HG1 GLU 60 13.063 6.901 9.126 403 H GLU 61 HN GLU 61 13.207 6.305 4.646 404 HA GLU 61 HA GLU 61 14.417 3.896 3.662 405 HB2 GLU 61 HB2 GLU 61 12.072 4.402 3.184 406 HB3 GLU 61 HB1 GLU 61 12.551 5.838 2.293 407 HG2 GLU 61 HG2 GLU 61 12.008 4.078 0.755 408 HG3 GLU 61 HG1 GLU 61 13.737 4.415 0.675 409 H GLU 62 HN GLU 62 14.186 7.087 2.056 410 HA GLU 62 HA GLU 62 16.959 6.759 1.210 411 HB2 GLU 62 HB2 GLU 62 15.548 5.764 -0.553 412 HB3 GLU 62 HB1 GLU 62 14.695 7.290 -0.719 413 HG2 GLU 62 HG2 GLU 62 16.791 8.365 -1.409 414 HG3 GLU 62 HG1 GLU 62 17.611 6.810 -1.287 415 H ALA 63 HN ALA 63 14.582 9.036 -0.105 416 HA ALA 63 HA ALA 63 15.976 11.202 1.320 417 HB1 ALA 63 HB1 ALA 63 15.309 11.218 -1.618 418 HB2 ALA 63 HB2 ALA 63 16.920 11.006 -0.937 419 HB3 ALA 63 HB3 ALA 63 16.062 12.529 -0.713 420 H ILE 64 HN ILE 64 13.421 10.031 1.877 421 HA ILE 64 HA ILE 64 11.454 11.851 0.758 422 HB ILE 64 HB ILE 64 10.921 9.685 2.789 423 HG12 ILE 64 HG12 ILE 64 10.105 8.477 0.599 424 HG13 ILE 64 HG11 ILE 64 11.278 9.526 -0.183 425 HG21 ILE 64 HG21 ILE 64 9.148 11.039 0.757 426 HG22 ILE 64 HG22 ILE 64 9.151 11.340 2.493 427 HG23 ILE 64 HG23 ILE 64 8.653 9.767 1.874 428 HD11 ILE 64 HD11 ILE 64 13.073 8.576 1.048 429 HD12 ILE 64 HD12 ILE 64 12.113 7.248 0.388 430 HD13 ILE 64 HD13 ILE 64 11.961 7.691 2.090 431 H PHE 65 HN PHE 65 12.813 13.543 1.911 432 HA PHE 65 HA PHE 65 11.357 14.518 4.127 433 HB2 PHE 65 HB2 PHE 65 13.213 14.573 5.786 434 HB3 PHE 65 HB1 PHE 65 12.624 12.952 5.451 435 HD1 PHE 65 HD2 PHE 65 13.985 11.422 4.045 436 HD2 PHE 65 HD1 PHE 65 15.461 15.183 5.382 437 HE1 PHE 65 HE2 PHE 65 16.284 10.681 3.579 438 HE2 PHE 65 HE1 PHE 65 17.762 14.448 4.924 439 HZ PHE 65 HZ PHE 65 18.175 12.194 4.021 440 H GLY 66 HN GLY 66 14.009 14.680 1.924 441 HA2 GLY 66 HA2 GLY 66 14.102 16.931 0.800 442 HA3 GLY 66 HA1 GLY 66 14.261 17.571 2.431 443 H ASP 67 HN ASP 67 16.182 18.296 0.798 444 HA ASP 67 HA ASP 67 18.426 18.486 0.649 445 HB2 ASP 67 HB2 ASP 67 18.521 18.128 3.055 446 HB3 ASP 67 HB1 ASP 67 18.488 16.384 2.821 447 H GLY 68 HN GLY 68 17.874 14.998 1.183 448 HA2 GLY 68 HA2 GLY 68 17.943 13.927 -1.233 449 HA3 GLY 68 HA1 GLY 68 19.625 14.414 -1.076 450 H PHE 69 HN PHE 69 19.742 11.966 -1.401 451 HA PHE 69 HA PHE 69 19.469 10.631 1.201 452 HB2 PHE 69 HB2 PHE 69 19.536 8.492 -0.064 453 HB3 PHE 69 HB1 PHE 69 18.148 9.497 -0.455 454 HD1 PHE 69 HD1 PHE 69 18.290 10.902 -2.597 455 HD2 PHE 69 HD2 PHE 69 20.923 7.680 -1.725 456 HE1 PHE 69 HE1 PHE 69 18.833 10.703 -4.987 457 HE2 PHE 69 HE2 PHE 69 21.478 7.479 -4.110 458 HZ PHE 69 HZ PHE 69 20.433 8.991 -5.746 459 H GLY 70 HN GLY 70 21.622 12.377 0.536 460 HA2 GLY 70 HA2 GLY 70 23.959 10.804 0.025 461 HA3 GLY 70 HA1 GLY 70 23.926 12.437 0.675 462 H LEU 71 HN LEU 71 22.006 11.465 2.778 463 HA LEU 71 HA LEU 71 23.852 10.859 4.827 464 HB2 LEU 71 HB2 LEU 71 20.854 10.478 4.761 465 HB3 LEU 71 HB1 LEU 71 21.846 10.407 6.204 466 HG LEU 71 HG LEU 71 21.449 12.852 4.476 467 HD11 LEU 71 HD11 LEU 71 20.177 13.710 6.377 468 HD12 LEU 71 HD12 LEU 71 20.376 12.168 7.208 469 HD13 LEU 71 HD13 LEU 71 19.441 12.251 5.716 470 HD21 LEU 71 HD21 LEU 71 22.919 12.485 7.083 471 HD22 LEU 71 HD22 LEU 71 22.601 14.032 6.300 472 HD23 LEU 71 HD23 LEU 71 23.642 12.845 5.516 473 H LYS 72 HN LYS 72 21.612 8.873 2.942 474 HA LYS 72 HA LYS 72 23.204 6.532 3.533 475 HB2 LYS 72 HB2 LYS 72 21.299 5.194 4.296 476 HB3 LYS 72 HB1 LYS 72 21.617 6.534 5.387 477 HG2 LYS 72 HG2 LYS 72 19.764 7.785 4.356 478 HG3 LYS 72 HG1 LYS 72 19.433 6.400 3.314 479 HD2 LYS 72 HD2 LYS 72 19.279 6.462 6.327 480 HD3 LYS 72 HD1 LYS 72 17.917 6.403 5.209 481 HE2 LYS 72 HE2 LYS 72 18.651 4.217 4.416 482 HE3 LYS 72 HE1 LYS 72 20.041 4.281 5.499 483 HZ1 LYS 72 HZ1 LYS 72 17.185 4.206 6.299 484 HZ2 LYS 72 HZ2 LYS 72 18.482 4.377 7.376 485 HZ3 LYS 72 HZ3 LYS 72 18.315 2.956 6.476 486 H ALA 73 HN ALA 73 23.423 5.372 1.761 487 HA ALA 73 HA ALA 73 21.221 5.175 -0.148 488 HB1 ALA 73 HB1 ALA 73 22.619 5.691 -2.048 489 HB2 ALA 73 HB2 ALA 73 24.015 5.929 -0.997 490 HB3 ALA 73 HB3 ALA 73 22.652 7.043 -0.917 491 H THR 74 HN THR 74 24.668 4.311 0.021 492 HA THR 74 HA THR 74 24.192 1.650 -0.900 493 HB THR 74 HB THR 74 26.669 2.727 0.463 494 HG1 THR 74 HG1 THR 74 25.635 3.060 -2.128 495 HG21 THR 74 HG21 THR 74 26.276 0.450 -1.487 496 HG22 THR 74 HG22 THR 74 26.609 0.286 0.237 497 HG23 THR 74 HG23 THR 74 27.822 0.990 -0.832 498 H ARG 75 HN ARG 75 23.300 0.133 0.306 499 HA ARG 75 HA ARG 75 22.992 0.419 3.137 500 HB2 ARG 75 HB2 ARG 75 22.399 -2.023 1.457 501 HB3 ARG 75 HB1 ARG 75 21.701 -1.607 3.016 502 HG2 ARG 75 HG2 ARG 75 21.290 -0.064 0.465 503 HG3 ARG 75 HG1 ARG 75 20.155 -1.225 1.149 504 HD2 ARG 75 HD2 ARG 75 19.885 0.161 3.119 505 HD3 ARG 75 HD1 ARG 75 21.092 1.296 2.515 506 HE ARG 75 HE ARG 75 19.477 1.615 0.589 507 HH11 ARG 75 HH11 ARG 75 18.414 0.776 3.826 508 HH12 ARG 75 HH12 ARG 75 16.839 1.471 3.624 509 HH21 ARG 75 HH21 ARG 75 17.404 2.529 0.327 510 HH22 ARG 75 HH22 ARG 75 16.254 2.468 1.633 511 H ARG 76 HN ARG 76 25.082 0.419 3.967 512 HA ARG 76 HA ARG 76 26.955 -1.666 3.374 513 HB2 ARG 76 HB2 ARG 76 27.050 0.287 5.674 514 HB3 ARG 76 HB1 ARG 76 28.396 -0.589 4.965 515 HG2 ARG 76 HG2 ARG 76 28.246 0.708 2.946 516 HG3 ARG 76 HG1 ARG 76 26.782 1.508 3.529 517 HD2 ARG 76 HD2 ARG 76 28.140 2.354 5.465 518 HD3 ARG 76 HD1 ARG 76 29.572 1.731 4.647 519 HE ARG 76 HE ARG 76 28.427 3.291 2.761 520 HH11 ARG 76 HH11 ARG 76 29.353 3.841 6.093 521 HH12 ARG 76 HH12 ARG 76 29.628 5.541 5.869 522 HH21 ARG 76 HH21 ARG 76 28.793 5.530 2.458 523 HH22 ARG 76 HH22 ARG 76 29.314 6.503 3.800 524 H SER 77 HN SER 77 27.102 -3.596 4.328 525 HA SER 77 HA SER 77 25.526 -4.189 6.683 526 HB2 SER 77 HB2 SER 77 27.463 -5.946 5.181 527 HB3 SER 77 HB1 SER 77 26.256 -6.476 6.346 528 HG SER 77 HG SER 77 25.092 -4.998 4.427 529 H ARG 78 HN ARG 78 26.720 -2.531 7.907 530 HA ARG 78 HA ARG 78 29.523 -2.754 8.359 531 HB2 ARG 78 HB2 ARG 78 27.573 -1.312 10.151 532 HB3 ARG 78 HB1 ARG 78 29.271 -0.947 9.878 533 HG2 ARG 78 HG2 ARG 78 28.769 -0.242 7.604 534 HG3 ARG 78 HG1 ARG 78 27.066 -0.633 7.854 535 HD2 ARG 78 HD2 ARG 78 27.133 0.997 9.799 536 HD3 ARG 78 HD1 ARG 78 28.697 1.520 9.179 537 HE ARG 78 HE ARG 78 26.503 1.550 7.281 538 HH11 ARG 78 HH11 ARG 78 28.440 3.381 9.550 539 HH12 ARG 78 HH12 ARG 78 27.976 4.919 8.892 540 HH21 ARG 78 HH21 ARG 78 25.894 3.563 6.417 541 HH22 ARG 78 HH22 ARG 78 26.523 5.025 7.108 542 H LYS 79 HN LYS 79 26.755 -3.223 10.538 543 HA LYS 79 HA LYS 79 28.458 -4.602 12.442 544 HB2 LYS 79 HB2 LYS 79 26.611 -2.860 12.972 545 HB3 LYS 79 HB1 LYS 79 25.488 -4.184 12.711 546 HG2 LYS 79 HG2 LYS 79 27.746 -4.399 14.671 547 HG3 LYS 79 HG1 LYS 79 26.202 -3.668 15.103 548 HD2 LYS 79 HD2 LYS 79 25.046 -5.736 14.560 549 HD3 LYS 79 HD1 LYS 79 26.563 -6.466 14.030 550 HE2 LYS 79 HE2 LYS 79 27.464 -6.255 16.282 551 HE3 LYS 79 HE1 LYS 79 25.973 -5.485 16.819 552 HZ1 LYS 79 HZ1 LYS 79 26.094 -7.854 17.386 553 HZ2 LYS 79 HZ2 LYS 79 26.144 -8.246 15.743 554 HZ3 LYS 79 HZ3 LYS 79 24.774 -7.498 16.391 555 H ALA 80 HN ALA 80 25.843 -5.249 10.209 556 HA ALA 80 HA ALA 80 25.542 -7.999 11.027 557 HB1 ALA 80 HB1 ALA 80 23.618 -6.733 10.196 558 HB2 ALA 80 HB2 ALA 80 23.932 -8.155 9.201 559 HB3 ALA 80 HB3 ALA 80 24.410 -6.556 8.630 560 H GLU 81 HN GLU 81 27.985 -8.201 10.685 561 HA GLU 81 HA GLU 81 28.929 -8.439 8.012 562 HB2 GLU 81 HB2 GLU 81 30.418 -7.986 9.945 563 HB3 GLU 81 HB1 GLU 81 30.109 -9.614 10.535 564 HG2 GLU 81 HG2 GLU 81 32.260 -9.316 9.299 565 HG3 GLU 81 HG1 GLU 81 31.211 -10.595 8.685 566 H ARG 82 HN ARG 82 28.136 -10.850 10.513 567 HA ARG 82 HA ARG 82 26.973 -12.793 10.369 568 HB2 ARG 82 HB2 ARG 82 25.477 -11.757 8.803 569 HB3 ARG 82 HB1 ARG 82 26.623 -11.972 7.490 570 HG2 ARG 82 HG2 ARG 82 26.322 -14.359 7.559 571 HG3 ARG 82 HG1 ARG 82 25.275 -14.217 8.973 572 HD2 ARG 82 HD2 ARG 82 24.700 -12.966 6.294 573 HD3 ARG 82 HD1 ARG 82 24.046 -14.510 6.829 574 HE ARG 82 HE ARG 82 23.512 -12.431 8.704 575 HH11 ARG 82 HH11 ARG 82 22.472 -13.709 5.618 576 HH12 ARG 82 HH12 ARG 82 20.820 -13.221 5.830 577 HH21 ARG 82 HH21 ARG 82 21.353 -11.767 8.984 578 HH22 ARG 82 HH22 ARG 82 20.186 -12.101 7.744 579 H ALA 83 HN ALA 83 28.985 -12.461 7.439 580 HA ALA 83 HA ALA 83 30.490 -13.844 6.454 581 HB1 ALA 83 HB1 ALA 83 31.937 -15.192 7.875 582 HB2 ALA 83 HB2 ALA 83 30.823 -14.986 9.227 583 HB3 ALA 83 HB3 ALA 83 31.687 -13.592 8.577 584 H LYS 84 HN LYS 84 28.318 -14.597 5.597 585 HA LYS 84 HA LYS 84 27.158 -16.269 4.617 586 HB2 LYS 84 HB2 LYS 84 29.194 -18.086 5.914 587 HB3 LYS 84 HB1 LYS 84 28.001 -18.595 4.727 588 HG2 LYS 84 HG2 LYS 84 30.194 -16.583 4.258 589 HG3 LYS 84 HG1 LYS 84 30.197 -18.264 3.724 590 HD2 LYS 84 HD2 LYS 84 28.211 -17.827 2.355 591 HD3 LYS 84 HD1 LYS 84 28.223 -16.143 2.876 592 HE2 LYS 84 HE2 LYS 84 30.398 -15.816 1.845 593 HE3 LYS 84 HE1 LYS 84 30.449 -17.515 1.379 594 HZ1 LYS 84 HZ1 LYS 84 28.568 -17.169 -0.062 595 HZ2 LYS 84 HZ2 LYS 84 29.781 -16.056 -0.452 596 HZ3 LYS 84 HZ3 LYS 84 28.429 -15.559 0.430 597 H LEU 85 HN LEU 85 25.417 -17.608 5.040 598 HA LEU 85 HA LEU 85 24.791 -17.976 7.896 599 HB2 LEU 85 HB2 LEU 85 23.488 -16.240 6.392 600 HB3 LEU 85 HB1 LEU 85 22.666 -17.666 5.809 601 HG LEU 85 HG LEU 85 21.404 -16.503 7.574 602 HD11 LEU 85 HD11 LEU 85 21.088 -18.900 7.282 603 HD12 LEU 85 HD12 LEU 85 20.924 -18.438 8.975 604 HD13 LEU 85 HD13 LEU 85 22.402 -19.219 8.414 605 HD21 LEU 85 HD21 LEU 85 22.189 -16.479 9.861 606 HD22 LEU 85 HD22 LEU 85 23.336 -15.635 8.822 607 HD23 LEU 85 HD23 LEU 85 23.689 -17.269 9.382 Start of MODEL 20 1 H1 GLY 11 HT1 GLY 11 -17.738 -6.784 4.750 2 H2 GLY 11 HT2 GLY 11 -16.949 -7.535 3.457 3 H3 GLY 11 HT3 GLY 11 -17.816 -8.464 4.571 4 HA2 GLY 11 HA1 GLY 11 -19.093 -8.259 2.566 5 HA3 GLY 11 HA2 GLY 11 -19.882 -7.398 3.879 6 H ARG 12 HN ARG 12 -20.416 -6.860 1.198 7 HA ARG 12 HA ARG 12 -18.826 -4.660 0.280 8 HB2 ARG 12 HB2 ARG 12 -21.474 -5.739 -0.685 9 HB3 ARG 12 HB1 ARG 12 -20.555 -4.478 -1.497 10 HG2 ARG 12 HG2 ARG 12 -18.711 -6.022 -1.841 11 HG3 ARG 12 HG1 ARG 12 -19.600 -7.287 -0.994 12 HD2 ARG 12 HD2 ARG 12 -21.363 -7.164 -2.706 13 HD3 ARG 12 HD1 ARG 12 -20.425 -5.940 -3.564 14 HE ARG 12 HE ARG 12 -18.826 -8.215 -3.168 15 HH11 ARG 12 HH11 ARG 12 -21.602 -7.178 -5.034 16 HH12 ARG 12 HH12 ARG 12 -21.307 -8.298 -6.325 17 HH21 ARG 12 HH21 ARG 12 -18.444 -9.698 -4.863 18 HH22 ARG 12 HH22 ARG 12 -19.508 -9.726 -6.231 19 HA PRO 13 HA PRO 13 -20.784 -1.514 2.698 20 HB2 PRO 13 HB2 PRO 13 -19.834 0.331 0.601 21 HB3 PRO 13 HB1 PRO 13 -19.446 0.296 2.324 22 HG2 PRO 13 HG2 PRO 13 -17.655 -0.439 0.486 23 HG3 PRO 13 HG1 PRO 13 -17.773 -1.275 2.045 24 HD2 PRO 13 HD2 PRO 13 -18.818 -2.108 -0.634 25 HD3 PRO 13 HD1 PRO 13 -18.000 -3.075 0.608 26 H GLY 14 HN GLY 14 -22.918 -1.181 2.666 27 HA2 GLY 14 HA2 GLY 14 -24.211 -0.653 0.077 28 HA3 GLY 14 HA1 GLY 14 -25.026 -1.237 1.523 29 H VAL 15 HN VAL 15 -23.194 0.955 2.862 30 HA VAL 15 HA VAL 15 -24.859 3.252 2.128 31 HB VAL 15 HB VAL 15 -25.969 2.374 4.050 32 HG11 VAL 15 HG11 VAL 15 -24.879 1.958 6.180 33 HG12 VAL 15 HG12 VAL 15 -23.322 2.409 5.491 34 HG13 VAL 15 HG13 VAL 15 -24.157 0.969 4.911 35 HG21 VAL 15 HG21 VAL 15 -25.780 4.788 3.981 36 HG22 VAL 15 HG22 VAL 15 -24.247 4.713 4.850 37 HG23 VAL 15 HG23 VAL 15 -25.739 4.219 5.650 38 H PHE 16 HN PHE 16 -22.026 2.159 3.974 39 HA PHE 16 HA PHE 16 -20.806 4.784 3.775 40 HB2 PHE 16 HB2 PHE 16 -20.596 3.295 5.817 41 HB3 PHE 16 HB1 PHE 16 -19.592 2.226 4.847 42 HD1 PHE 16 HD2 PHE 16 -19.801 5.507 6.468 43 HD2 PHE 16 HD1 PHE 16 -17.319 2.801 4.313 44 HE1 PHE 16 HE2 PHE 16 -17.823 6.831 7.088 45 HE2 PHE 16 HE1 PHE 16 -15.338 4.118 4.937 46 HZ PHE 16 HZ PHE 16 -15.588 6.136 6.324 47 H ARG 17 HN ARG 17 -20.863 4.729 1.417 48 HA ARG 17 HA ARG 17 -19.290 2.787 0.018 49 HB2 ARG 17 HB2 ARG 17 -20.451 5.417 -0.916 50 HB3 ARG 17 HB1 ARG 17 -19.720 4.208 -1.962 51 HG2 ARG 17 HG2 ARG 17 -22.160 3.768 -0.251 52 HG3 ARG 17 HG1 ARG 17 -22.177 4.124 -1.978 53 HD2 ARG 17 HD2 ARG 17 -20.814 1.732 -0.740 54 HD3 ARG 17 HD1 ARG 17 -22.434 1.703 -1.437 55 HE ARG 17 HE ARG 17 -20.514 2.728 -3.278 56 HH11 ARG 17 HH11 ARG 17 -21.683 -0.264 -1.878 57 HH12 ARG 17 HH12 ARG 17 -21.280 -1.212 -3.276 58 HH21 ARG 17 HH21 ARG 17 -19.967 1.473 -5.094 59 HH22 ARG 17 HH22 ARG 17 -20.294 -0.229 -5.095 60 H THR 18 HN THR 18 -17.373 2.955 1.158 61 HA THR 18 HA THR 18 -15.191 3.435 1.380 62 HB THR 18 HB THR 18 -13.957 4.611 -0.220 63 HG1 THR 18 HG1 THR 18 -16.373 5.957 -0.912 64 HG21 THR 18 HG21 THR 18 -15.056 2.599 -1.095 65 HG22 THR 18 HG22 THR 18 -14.766 3.802 -2.353 66 HG23 THR 18 HG23 THR 18 -16.386 3.597 -1.685 67 H ARG 19 HN ARG 19 -13.667 5.116 2.068 68 HA ARG 19 HA ARG 19 -15.063 7.145 3.634 69 HB2 ARG 19 HB2 ARG 19 -13.010 7.276 4.959 70 HB3 ARG 19 HB1 ARG 19 -13.595 5.621 4.859 71 HG2 ARG 19 HG2 ARG 19 -11.879 4.977 3.408 72 HG3 ARG 19 HG1 ARG 19 -11.468 6.648 3.013 73 HD2 ARG 19 HD2 ARG 19 -11.086 5.311 5.691 74 HD3 ARG 19 HD1 ARG 19 -9.814 5.670 4.519 75 HE ARG 19 HE ARG 19 -11.210 8.035 5.129 76 HH11 ARG 19 HH11 ARG 19 -8.952 5.800 6.614 77 HH12 ARG 19 HH12 ARG 19 -8.285 6.998 7.672 78 HH21 ARG 19 HH21 ARG 19 -10.342 9.590 6.529 79 HH22 ARG 19 HH22 ARG 19 -9.075 9.148 7.629 80 H GLY 20 HN GLY 20 -14.839 7.547 0.884 81 HA2 GLY 20 HA2 GLY 20 -14.388 9.420 -0.430 82 HA3 GLY 20 HA1 GLY 20 -13.245 9.976 0.789 83 H LEU 21 HN LEU 21 -13.552 6.987 -1.127 84 HA LEU 21 HA LEU 21 -10.699 6.909 -1.474 85 HB2 LEU 21 HB2 LEU 21 -12.817 5.037 -1.681 86 HB3 LEU 21 HB1 LEU 21 -12.024 5.091 -3.243 87 HG LEU 21 HG LEU 21 -9.843 4.789 -1.977 88 HD11 LEU 21 HD11 LEU 21 -11.738 4.006 0.212 89 HD12 LEU 21 HD12 LEU 21 -10.593 5.349 0.228 90 HD13 LEU 21 HD13 LEU 21 -10.002 3.689 0.193 91 HD21 LEU 21 HD21 LEU 21 -10.394 2.289 -1.619 92 HD22 LEU 21 HD22 LEU 21 -10.468 2.988 -3.235 93 HD23 LEU 21 HD23 LEU 21 -11.953 2.724 -2.326 94 H THR 22 HN THR 22 -9.696 8.094 -2.882 95 HA THR 22 HA THR 22 -10.966 9.311 -5.113 96 HB THR 22 HB THR 22 -8.623 9.965 -5.733 97 HG1 THR 22 HG1 THR 22 -7.199 9.471 -3.718 98 HG21 THR 22 HG21 THR 22 -9.474 10.478 -2.879 99 HG22 THR 22 HG22 THR 22 -9.970 11.401 -4.298 100 HG23 THR 22 HG23 THR 22 -8.287 11.428 -3.774 101 H ASP 23 HN ASP 23 -9.979 9.003 -7.380 102 HA ASP 23 HA ASP 23 -10.715 6.467 -8.234 103 HB2 ASP 23 HB2 ASP 23 -10.618 8.523 -9.661 104 HB3 ASP 23 HB1 ASP 23 -8.866 8.340 -9.722 105 H GLU 24 HN GLU 24 -7.493 7.737 -7.536 106 HA GLU 24 HA GLU 24 -6.003 5.547 -8.471 107 HB2 GLU 24 HB2 GLU 24 -5.387 7.463 -6.208 108 HB3 GLU 24 HB1 GLU 24 -4.225 6.364 -6.935 109 HG2 GLU 24 HG2 GLU 24 -4.439 7.516 -9.063 110 HG3 GLU 24 HG1 GLU 24 -5.645 8.599 -8.366 111 H GLU 25 HN GLU 25 -7.198 6.252 -5.176 112 HA GLU 25 HA GLU 25 -6.221 3.904 -3.963 113 HB2 GLU 25 HB2 GLU 25 -8.707 5.444 -3.209 114 HB3 GLU 25 HB1 GLU 25 -7.825 4.331 -2.184 115 HG2 GLU 25 HG2 GLU 25 -6.675 6.886 -3.269 116 HG3 GLU 25 HG1 GLU 25 -7.427 6.719 -1.682 117 H TYR 26 HN TYR 26 -9.333 4.675 -5.442 118 HA TYR 26 HA TYR 26 -10.572 2.211 -4.882 119 HB2 TYR 26 HB2 TYR 26 -11.794 4.271 -5.532 120 HB3 TYR 26 HB1 TYR 26 -11.147 4.107 -7.158 121 HD1 TYR 26 HD2 TYR 26 -13.188 2.295 -4.631 122 HD2 TYR 26 HD1 TYR 26 -12.285 2.840 -8.747 123 HE1 TYR 26 HE2 TYR 26 -15.033 0.803 -5.222 124 HE2 TYR 26 HE1 TYR 26 -14.112 1.340 -9.359 125 HH TYR 26 HH TYR 26 -15.439 -0.438 -8.399 126 H ASP 27 HN ASP 27 -8.632 3.331 -7.585 127 HA ASP 27 HA ASP 27 -8.922 1.120 -9.280 128 HB2 ASP 27 HB2 ASP 27 -7.839 3.211 -9.984 129 HB3 ASP 27 HB1 ASP 27 -6.536 2.917 -8.851 130 H GLU 28 HN GLU 28 -6.581 1.774 -6.694 131 HA GLU 28 HA GLU 28 -5.119 -0.619 -6.870 132 HB2 GLU 28 HB2 GLU 28 -4.485 1.437 -5.597 133 HB3 GLU 28 HB1 GLU 28 -5.722 1.038 -4.415 134 HG2 GLU 28 HG2 GLU 28 -3.645 0.341 -3.550 135 HG3 GLU 28 HG1 GLU 28 -4.534 -1.107 -4.006 136 H PHE 29 HN PHE 29 -7.887 0.338 -4.923 137 HA PHE 29 HA PHE 29 -8.398 -2.005 -3.526 138 HB2 PHE 29 HB2 PHE 29 -9.553 0.059 -3.046 139 HB3 PHE 29 HB1 PHE 29 -10.265 0.094 -4.653 140 HD1 PHE 29 HD1 PHE 29 -10.057 -2.358 -1.867 141 HD2 PHE 29 HD2 PHE 29 -12.505 -0.326 -4.676 142 HE1 PHE 29 HE1 PHE 29 -12.024 -3.505 -0.960 143 HE2 PHE 29 HE2 PHE 29 -14.487 -1.484 -3.785 144 HZ PHE 29 HZ PHE 29 -14.234 -3.065 -1.909 145 H LYS 30 HN LYS 30 -9.514 -1.052 -6.764 146 HA LYS 30 HA LYS 30 -11.068 -3.321 -7.313 147 HB2 LYS 30 HB2 LYS 30 -9.492 -1.488 -9.128 148 HB3 LYS 30 HB1 LYS 30 -10.551 -2.751 -9.734 149 HG2 LYS 30 HG2 LYS 30 -12.459 -1.667 -9.017 150 HG3 LYS 30 HG1 LYS 30 -11.594 -0.687 -7.846 151 HD2 LYS 30 HD2 LYS 30 -12.368 0.587 -9.800 152 HD3 LYS 30 HD1 LYS 30 -10.622 0.619 -9.610 153 HE2 LYS 30 HE2 LYS 30 -11.166 0.307 -11.902 154 HE3 LYS 30 HE1 LYS 30 -10.441 -1.162 -11.284 155 HZ1 LYS 30 HZ1 LYS 30 -12.326 -1.680 -12.664 156 HZ2 LYS 30 HZ2 LYS 30 -13.334 -0.685 -11.739 157 HZ3 LYS 30 HZ3 LYS 30 -12.681 -2.092 -11.063 158 H LYS 31 HN LYS 31 -7.663 -2.649 -8.069 159 HA LYS 31 HA LYS 31 -7.017 -5.068 -9.284 160 HB2 LYS 31 HB2 LYS 31 -5.322 -3.252 -7.574 161 HB3 LYS 31 HB1 LYS 31 -4.688 -4.576 -8.539 162 HG2 LYS 31 HG2 LYS 31 -5.281 -3.516 -10.563 163 HG3 LYS 31 HG1 LYS 31 -6.278 -2.325 -9.726 164 HD2 LYS 31 HD2 LYS 31 -4.129 -1.389 -10.458 165 HD3 LYS 31 HD1 LYS 31 -4.311 -1.350 -8.706 166 HE2 LYS 31 HE2 LYS 31 -2.091 -2.062 -9.169 167 HE3 LYS 31 HE1 LYS 31 -2.991 -3.472 -8.614 168 HZ1 LYS 31 HZ1 LYS 31 -1.604 -3.981 -10.522 169 HZ2 LYS 31 HZ2 LYS 31 -2.407 -2.819 -11.448 170 HZ3 LYS 31 HZ3 LYS 31 -3.239 -4.184 -10.899 171 H ARG 32 HN ARG 32 -6.956 -4.116 -5.903 172 HA ARG 32 HA ARG 32 -5.951 -6.560 -4.910 173 HB2 ARG 32 HB2 ARG 32 -7.340 -4.234 -3.655 174 HB3 ARG 32 HB1 ARG 32 -6.852 -5.621 -2.706 175 HG2 ARG 32 HG2 ARG 32 -4.532 -5.275 -3.471 176 HG3 ARG 32 HG1 ARG 32 -5.064 -3.834 -4.334 177 HD2 ARG 32 HD2 ARG 32 -5.819 -2.882 -2.177 178 HD3 ARG 32 HD1 ARG 32 -5.150 -4.295 -1.356 179 HE ARG 32 HE ARG 32 -3.090 -3.320 -2.865 180 HH11 ARG 32 HH11 ARG 32 -5.083 -2.103 -0.266 181 HH12 ARG 32 HH12 ARG 32 -3.946 -0.872 0.204 182 HH21 ARG 32 HH21 ARG 32 -1.576 -1.749 -2.228 183 HH22 ARG 32 HH22 ARG 32 -1.950 -0.668 -0.917 184 H ARG 33 HN ARG 33 -9.223 -5.271 -5.251 185 HA ARG 33 HA ARG 33 -10.541 -7.433 -4.005 186 HB2 ARG 33 HB2 ARG 33 -11.663 -5.336 -4.242 187 HB3 ARG 33 HB1 ARG 33 -11.507 -5.380 -5.986 188 HG2 ARG 33 HG2 ARG 33 -13.162 -6.987 -6.217 189 HG3 ARG 33 HG1 ARG 33 -13.040 -7.499 -4.534 190 HD2 ARG 33 HD2 ARG 33 -14.152 -5.619 -3.747 191 HD3 ARG 33 HD1 ARG 33 -13.862 -4.701 -5.220 192 HE ARG 33 HE ARG 33 -15.436 -6.772 -6.032 193 HH11 ARG 33 HH11 ARG 33 -15.708 -4.372 -3.516 194 HH12 ARG 33 HH12 ARG 33 -17.427 -4.214 -3.659 195 HH21 ARG 33 HH21 ARG 33 -17.711 -6.585 -6.233 196 HH22 ARG 33 HH22 ARG 33 -18.571 -5.475 -5.214 197 H GLU 34 HN GLU 34 -9.613 -6.824 -7.345 198 HA GLU 34 HA GLU 34 -10.811 -9.085 -8.502 199 HB2 GLU 34 HB2 GLU 34 -9.722 -7.120 -9.682 200 HB3 GLU 34 HB1 GLU 34 -8.173 -7.872 -9.330 201 HG2 GLU 34 HG2 GLU 34 -8.870 -8.374 -11.589 202 HG3 GLU 34 HG1 GLU 34 -8.835 -9.842 -10.613 203 H SER 35 HN SER 35 -7.646 -8.618 -6.995 204 HA SER 35 HA SER 35 -6.590 -11.172 -7.428 205 HB2 SER 35 HB2 SER 35 -5.185 -9.340 -6.685 206 HB3 SER 35 HB1 SER 35 -6.090 -9.207 -5.180 207 HG SER 35 HG SER 35 -4.115 -10.997 -5.922 208 H ARG 36 HN ARG 36 -8.682 -9.939 -4.859 209 HA ARG 36 HA ARG 36 -8.618 -12.432 -3.402 210 HB2 ARG 36 HB2 ARG 36 -9.983 -9.809 -3.048 211 HB3 ARG 36 HB1 ARG 36 -10.624 -11.195 -2.195 212 HG2 ARG 36 HG2 ARG 36 -9.200 -10.437 -0.600 213 HG3 ARG 36 HG1 ARG 36 -8.061 -11.443 -1.500 214 HD2 ARG 36 HD2 ARG 36 -7.484 -9.407 -2.832 215 HD3 ARG 36 HD1 ARG 36 -8.471 -8.478 -1.722 216 HE ARG 36 HE ARG 36 -6.855 -9.486 0.030 217 HH11 ARG 36 HH11 ARG 36 -6.006 -8.533 -3.228 218 HH12 ARG 36 HH12 ARG 36 -4.381 -8.088 -2.818 219 HH21 ARG 36 HH21 ARG 36 -4.708 -8.885 0.581 220 HH22 ARG 36 HH22 ARG 36 -3.647 -8.289 -0.654 221 H GLY 37 HN GLY 37 -9.967 -11.707 -6.241 222 HA2 GLY 37 HA2 GLY 37 -11.494 -12.873 -7.511 223 HA3 GLY 37 HA1 GLY 37 -11.749 -13.936 -6.136 224 H GLY 38 HN GLY 38 -12.163 -10.464 -6.000 225 HA2 GLY 38 HA2 GLY 38 -14.120 -9.190 -6.029 226 HA3 GLY 38 HA1 GLY 38 -15.056 -10.657 -6.247 227 H LYS 39 HN LYS 39 -13.366 -11.762 -3.931 228 HA LYS 39 HA LYS 39 -15.216 -10.964 -1.861 229 HB2 LYS 39 HB2 LYS 39 -12.952 -12.948 -1.782 230 HB3 LYS 39 HB1 LYS 39 -14.195 -12.741 -0.551 231 HG2 LYS 39 HG2 LYS 39 -15.796 -13.146 -2.608 232 HG3 LYS 39 HG1 LYS 39 -14.373 -13.970 -3.238 233 HD2 LYS 39 HD2 LYS 39 -14.275 -15.339 -1.213 234 HD3 LYS 39 HD1 LYS 39 -15.704 -14.506 -0.597 235 HE2 LYS 39 HE2 LYS 39 -15.584 -16.166 -3.115 236 HE3 LYS 39 HE1 LYS 39 -16.266 -16.689 -1.576 237 HZ1 LYS 39 HZ1 LYS 39 -17.996 -15.945 -3.067 238 HZ2 LYS 39 HZ2 LYS 39 -17.249 -14.440 -3.248 239 HZ3 LYS 39 HZ3 LYS 39 -17.889 -14.889 -1.750 240 H TYR 40 HN TYR 40 -14.180 -8.734 -2.171 241 HA TYR 40 HA TYR 40 -12.233 -8.346 -0.036 242 HB2 TYR 40 HB2 TYR 40 -11.030 -8.538 -2.262 243 HB3 TYR 40 HB1 TYR 40 -11.849 -7.057 -2.726 244 HD1 TYR 40 HD1 TYR 40 -10.080 -8.176 0.370 245 HD2 TYR 40 HD2 TYR 40 -10.388 -5.276 -2.724 246 HE1 TYR 40 HE1 TYR 40 -8.276 -6.879 1.412 247 HE2 TYR 40 HE2 TYR 40 -8.580 -3.976 -1.693 248 HH TYR 40 HH TYR 40 -6.616 -5.227 0.804 249 H SER 41 HN SER 41 -13.554 -7.154 1.242 250 HA SER 41 HA SER 41 -15.348 -5.191 0.157 251 HB2 SER 41 HB2 SER 41 -14.837 -4.885 2.941 252 HB3 SER 41 HB1 SER 41 -16.331 -5.323 2.145 253 HG SER 41 HG SER 41 -14.332 -6.969 3.226 254 H ILE 42 HN ILE 42 -15.316 -2.926 1.119 255 HA ILE 42 HA ILE 42 -12.835 -1.738 0.411 256 HB ILE 42 HB ILE 42 -15.192 -0.695 0.279 257 HG12 ILE 42 HG12 ILE 42 -14.050 1.611 0.872 258 HG13 ILE 42 HG11 ILE 42 -12.625 0.589 1.021 259 HG21 ILE 42 HG21 ILE 42 -14.425 0.129 3.072 260 HG22 ILE 42 HG22 ILE 42 -15.765 -0.938 2.644 261 HG23 ILE 42 HG23 ILE 42 -15.792 0.751 2.142 262 HD11 ILE 42 HD11 ILE 42 -12.856 1.623 -1.175 263 HD12 ILE 42 HD12 ILE 42 -14.352 0.723 -1.412 264 HD13 ILE 42 HD13 ILE 42 -12.823 -0.138 -1.227 265 H ASP 43 HN ASP 43 -14.362 -2.628 3.440 266 HA ASP 43 HA ASP 43 -12.642 -1.147 5.117 267 HB2 ASP 43 HB2 ASP 43 -14.498 -3.438 5.525 268 HB3 ASP 43 HB1 ASP 43 -13.398 -3.003 6.817 269 H ASP 44 HN ASP 44 -12.452 -4.363 3.737 270 HA ASP 44 HA ASP 44 -10.150 -5.228 5.120 271 HB2 ASP 44 HB2 ASP 44 -11.280 -5.976 2.419 272 HB3 ASP 44 HB1 ASP 44 -9.837 -6.727 3.076 273 H TYR 45 HN TYR 45 -10.660 -3.316 2.226 274 HA TYR 45 HA TYR 45 -7.903 -2.973 1.592 275 HB2 TYR 45 HB2 TYR 45 -9.563 -2.571 -0.114 276 HB3 TYR 45 HB1 TYR 45 -10.363 -1.345 0.867 277 HD1 TYR 45 HD2 TYR 45 -7.159 -2.105 -0.872 278 HD2 TYR 45 HD1 TYR 45 -9.736 0.922 0.650 279 HE1 TYR 45 HE2 TYR 45 -5.742 -0.388 -1.911 280 HE2 TYR 45 HE1 TYR 45 -8.310 2.659 -0.397 281 HH TYR 45 HH TYR 45 -6.035 2.948 -1.199 282 H LEU 46 HN LEU 46 -10.298 -1.046 3.290 283 HA LEU 46 HA LEU 46 -8.746 1.213 3.769 284 HB2 LEU 46 HB2 LEU 46 -11.089 0.084 5.294 285 HB3 LEU 46 HB1 LEU 46 -10.435 1.682 5.552 286 HG LEU 46 HG LEU 46 -11.686 0.699 2.988 287 HD11 LEU 46 HD11 LEU 46 -13.458 2.280 3.508 288 HD12 LEU 46 HD12 LEU 46 -12.654 2.711 5.017 289 HD13 LEU 46 HD13 LEU 46 -13.299 1.085 4.795 290 HD21 LEU 46 HD21 LEU 46 -11.483 3.044 2.285 291 HD22 LEU 46 HD22 LEU 46 -9.918 2.264 2.520 292 HD23 LEU 46 HD23 LEU 46 -10.540 3.379 3.737 293 H ALA 47 HN ALA 47 -8.931 -1.815 5.540 294 HA ALA 47 HA ALA 47 -7.575 -0.911 7.872 295 HB1 ALA 47 HB1 ALA 47 -7.732 -3.705 6.738 296 HB2 ALA 47 HB2 ALA 47 -8.906 -2.973 7.829 297 HB3 ALA 47 HB3 ALA 47 -7.258 -3.272 8.379 298 H ASP 48 HN ASP 48 -6.441 -2.494 4.895 299 HA ASP 48 HA ASP 48 -3.670 -2.341 5.691 300 HB2 ASP 48 HB2 ASP 48 -4.488 -4.087 4.125 301 HB3 ASP 48 HB1 ASP 48 -4.886 -2.837 2.953 302 H ARG 49 HN ARG 49 -5.960 -0.380 3.953 303 HA ARG 49 HA ARG 49 -4.178 1.503 2.854 304 HB2 ARG 49 HB2 ARG 49 -6.623 1.307 2.316 305 HB3 ARG 49 HB1 ARG 49 -6.959 2.061 3.871 306 HG2 ARG 49 HG2 ARG 49 -5.702 4.028 3.191 307 HG3 ARG 49 HG1 ARG 49 -5.382 3.283 1.624 308 HD2 ARG 49 HD2 ARG 49 -7.826 3.166 1.270 309 HD3 ARG 49 HD1 ARG 49 -8.053 4.084 2.750 310 HE ARG 49 HE ARG 49 -6.728 5.071 0.303 311 HH11 ARG 49 HH11 ARG 49 -8.207 5.684 3.422 312 HH12 ARG 49 HH12 ARG 49 -8.404 7.386 3.137 313 HH21 ARG 49 HH21 ARG 49 -6.955 7.316 -0.049 314 HH22 ARG 49 HH22 ARG 49 -7.684 8.309 1.167 315 H GLU 50 HN GLU 50 -5.784 1.257 6.012 316 HA GLU 50 HA GLU 50 -4.815 3.560 7.235 317 HB2 GLU 50 HB2 GLU 50 -5.321 0.802 8.373 318 HB3 GLU 50 HB1 GLU 50 -4.882 2.186 9.369 319 HG2 GLU 50 HG2 GLU 50 -7.351 1.879 7.682 320 HG3 GLU 50 HG1 GLU 50 -7.255 1.836 9.440 321 H ARG 51 HN ARG 51 -3.278 0.482 6.592 322 HA ARG 51 HA ARG 51 -0.835 1.043 7.930 323 HB2 ARG 51 HB2 ARG 51 -1.203 -0.764 5.538 324 HB3 ARG 51 HB1 ARG 51 0.070 -0.848 6.745 325 HG2 ARG 51 HG2 ARG 51 -2.834 -1.338 7.328 326 HG3 ARG 51 HG1 ARG 51 -1.685 -2.607 6.920 327 HD2 ARG 51 HD2 ARG 51 -1.863 -2.587 9.261 328 HD3 ARG 51 HD1 ARG 51 -0.317 -1.836 8.880 329 HE ARG 51 HE ARG 51 -2.745 -0.381 9.714 330 HH11 ARG 51 HH11 ARG 51 0.749 -0.655 9.553 331 HH12 ARG 51 HH12 ARG 51 1.022 0.805 10.446 332 HH21 ARG 51 HH21 ARG 51 -2.378 1.537 10.875 333 HH22 ARG 51 HH22 ARG 51 -0.746 2.077 11.164 334 H GLU 52 HN GLU 52 -1.890 1.202 4.590 335 HA GLU 52 HA GLU 52 0.439 1.989 3.372 336 HB2 GLU 52 HB2 GLU 52 -2.360 2.802 2.620 337 HB3 GLU 52 HB1 GLU 52 -0.946 2.925 1.581 338 HG2 GLU 52 HG2 GLU 52 -0.669 0.474 1.777 339 HG3 GLU 52 HG1 GLU 52 -2.190 0.417 2.655 340 H GLU 53 HN GLU 53 -2.051 4.106 4.795 341 HA GLU 53 HA GLU 53 -1.070 6.494 3.774 342 HB2 GLU 53 HB2 GLU 53 -2.552 6.011 6.355 343 HB3 GLU 53 HB1 GLU 53 -2.260 7.604 5.665 344 HG2 GLU 53 HG2 GLU 53 -3.421 6.739 3.575 345 HG3 GLU 53 HG1 GLU 53 -3.944 5.379 4.566 346 H GLU 54 HN GLU 54 -0.008 4.760 6.673 347 HA GLU 54 HA GLU 54 1.842 6.911 7.294 348 HB2 GLU 54 HB2 GLU 54 2.514 5.588 9.217 349 HB3 GLU 54 HB1 GLU 54 0.762 5.702 9.146 350 HG2 GLU 54 HG2 GLU 54 0.618 3.460 8.265 351 HG3 GLU 54 HG1 GLU 54 2.375 3.345 8.204 352 H LEU 55 HN LEU 55 1.768 4.082 5.452 353 HA LEU 55 HA LEU 55 4.647 3.641 5.524 354 HB2 LEU 55 HB2 LEU 55 2.472 2.225 3.976 355 HB3 LEU 55 HB1 LEU 55 4.160 1.749 4.009 356 HG LEU 55 HG LEU 55 2.295 1.752 6.383 357 HD11 LEU 55 HD11 LEU 55 2.443 -0.675 6.234 358 HD12 LEU 55 HD12 LEU 55 3.420 -0.534 4.773 359 HD13 LEU 55 HD13 LEU 55 1.742 0.014 4.770 360 HD21 LEU 55 HD21 LEU 55 4.132 0.534 7.496 361 HD22 LEU 55 HD22 LEU 55 4.555 2.194 7.089 362 HD23 LEU 55 HD23 LEU 55 5.163 0.863 6.104 363 H LEU 56 HN LEU 56 2.468 5.524 3.815 364 HA LEU 56 HA LEU 56 3.728 5.446 1.241 365 HB2 LEU 56 HB2 LEU 56 1.775 7.398 2.464 366 HB3 LEU 56 HB1 LEU 56 2.325 7.481 0.805 367 HG LEU 56 HG LEU 56 0.729 5.228 2.021 368 HD11 LEU 56 HD11 LEU 56 -0.577 7.253 1.715 369 HD12 LEU 56 HD12 LEU 56 -1.050 6.023 0.546 370 HD13 LEU 56 HD13 LEU 56 -0.031 7.370 0.043 371 HD21 LEU 56 HD21 LEU 56 1.656 5.653 -0.819 372 HD22 LEU 56 HD22 LEU 56 0.584 4.369 -0.260 373 HD23 LEU 56 HD23 LEU 56 2.257 4.423 0.293 374 H GLU 57 HN GLU 57 3.651 8.363 0.890 375 HA GLU 57 HA GLU 57 5.015 10.136 0.883 376 HB2 GLU 57 HB2 GLU 57 5.854 8.973 3.510 377 HB3 GLU 57 HB1 GLU 57 6.483 10.499 2.901 378 HG2 GLU 57 HG2 GLU 57 4.231 11.416 2.877 379 HG3 GLU 57 HG1 GLU 57 3.586 9.875 3.439 380 H ARG 58 HN ARG 58 7.042 7.594 2.336 381 HA ARG 58 HA ARG 58 9.388 8.064 0.966 382 HB2 ARG 58 HB2 ARG 58 9.304 6.483 2.768 383 HB3 ARG 58 HB1 ARG 58 8.171 5.462 1.897 384 HG2 ARG 58 HG2 ARG 58 10.304 4.417 1.816 385 HG3 ARG 58 HG1 ARG 58 9.959 5.047 0.206 386 HD2 ARG 58 HD2 ARG 58 12.256 5.503 0.788 387 HD3 ARG 58 HD1 ARG 58 11.355 7.014 0.706 388 HE ARG 58 HE ARG 58 11.205 6.436 3.312 389 HH11 ARG 58 HH11 ARG 58 13.936 6.419 1.115 390 HH12 ARG 58 HH12 ARG 58 15.085 6.828 2.345 391 HH21 ARG 58 HH21 ARG 58 12.705 6.984 4.926 392 HH22 ARG 58 HH22 ARG 58 14.386 7.149 4.522 393 H ASP 59 HN ASP 59 9.691 8.291 -1.105 394 HA ASP 59 HA ASP 59 9.889 7.813 -3.315 395 HB2 ASP 59 HB2 ASP 59 10.080 5.434 -2.646 396 HB3 ASP 59 HB1 ASP 59 8.329 5.290 -2.755 397 H GLU 60 HN GLU 60 6.693 6.978 -2.047 398 HA GLU 60 HA GLU 60 5.195 7.473 -4.342 399 HB2 GLU 60 HB2 GLU 60 4.410 7.733 -1.439 400 HB3 GLU 60 HB1 GLU 60 3.274 7.715 -2.780 401 HG2 GLU 60 HG2 GLU 60 5.185 5.466 -2.230 402 HG3 GLU 60 HG1 GLU 60 3.574 5.553 -1.524 403 H GLU 61 HN GLU 61 6.261 9.735 -1.823 404 HA GLU 61 HA GLU 61 4.549 11.813 -2.909 405 HB2 GLU 61 HB2 GLU 61 4.874 11.431 -0.443 406 HB3 GLU 61 HB1 GLU 61 6.497 12.072 -0.624 407 HG2 GLU 61 HG2 GLU 61 5.659 14.210 -1.250 408 HG3 GLU 61 HG1 GLU 61 4.013 13.594 -1.366 409 H GLU 62 HN GLU 62 7.262 10.653 -4.061 410 HA GLU 62 HA GLU 62 8.322 11.418 -5.927 411 HB2 GLU 62 HB2 GLU 62 6.334 12.856 -6.252 412 HB3 GLU 62 HB1 GLU 62 7.115 14.112 -5.307 413 HG2 GLU 62 HG2 GLU 62 7.334 14.612 -7.634 414 HG3 GLU 62 HG1 GLU 62 8.918 14.207 -6.978 415 H ALA 63 HN ALA 63 8.790 13.080 -2.888 416 HA ALA 63 HA ALA 63 11.503 13.773 -3.810 417 HB1 ALA 63 HB1 ALA 63 11.411 15.858 -2.570 418 HB2 ALA 63 HB2 ALA 63 9.757 15.501 -2.068 419 HB3 ALA 63 HB3 ALA 63 10.122 15.784 -3.771 420 H ILE 64 HN ILE 64 11.623 11.518 -2.664 421 HA ILE 64 HA ILE 64 12.716 12.084 -0.015 422 HB ILE 64 HB ILE 64 10.858 9.751 -0.506 423 HG12 ILE 64 HG12 ILE 64 9.765 10.928 1.593 424 HG13 ILE 64 HG11 ILE 64 10.557 12.351 0.933 425 HG21 ILE 64 HG21 ILE 64 12.707 9.088 0.902 426 HG22 ILE 64 HG22 ILE 64 11.234 9.218 1.866 427 HG23 ILE 64 HG23 ILE 64 12.453 10.491 1.940 428 HD11 ILE 64 HD11 ILE 64 9.398 11.933 -1.213 429 HD12 ILE 64 HD12 ILE 64 8.313 12.274 0.137 430 HD13 ILE 64 HD13 ILE 64 8.520 10.615 -0.429 431 H PHE 65 HN PHE 65 12.273 9.714 -2.557 432 HA PHE 65 HA PHE 65 14.301 7.938 -1.762 433 HB2 PHE 65 HB2 PHE 65 14.027 6.983 -4.046 434 HB3 PHE 65 HB1 PHE 65 12.503 7.190 -3.189 435 HD1 PHE 65 HD2 PHE 65 11.094 9.228 -3.738 436 HD2 PHE 65 HD1 PHE 65 14.361 7.955 -6.147 437 HE1 PHE 65 HE2 PHE 65 10.204 10.531 -5.612 438 HE2 PHE 65 HE1 PHE 65 13.473 9.260 -8.037 439 HZ PHE 65 HZ PHE 65 11.391 10.548 -7.771 440 H GLY 66 HN GLY 66 16.291 7.454 -2.812 441 HA2 GLY 66 HA2 GLY 66 18.162 7.945 -4.138 442 HA3 GLY 66 HA1 GLY 66 17.467 9.521 -4.499 443 H ASP 67 HN ASP 67 20.094 9.384 -3.863 444 HA ASP 67 HA ASP 67 20.369 10.129 -1.060 445 HB2 ASP 67 HB2 ASP 67 22.394 9.917 -3.298 446 HB3 ASP 67 HB1 ASP 67 22.791 10.446 -1.665 447 H GLY 68 HN GLY 68 18.653 11.698 -2.469 448 HA2 GLY 68 HA2 GLY 68 19.379 14.302 -1.969 449 HA3 GLY 68 HA1 GLY 68 19.851 13.996 -3.638 450 H PHE 69 HN PHE 69 17.220 14.407 -1.434 451 HA PHE 69 HA PHE 69 15.238 13.670 -3.418 452 HB2 PHE 69 HB2 PHE 69 13.615 14.308 -1.563 453 HB3 PHE 69 HB1 PHE 69 14.659 12.928 -1.260 454 HD1 PHE 69 HD2 PHE 69 13.921 16.401 -0.363 455 HD2 PHE 69 HD1 PHE 69 16.367 13.010 0.437 456 HE1 PHE 69 HE2 PHE 69 14.660 17.433 1.744 457 HE2 PHE 69 HE1 PHE 69 17.104 14.036 2.548 458 HZ PHE 69 HZ PHE 69 16.251 16.250 3.202 459 H GLY 70 HN GLY 70 17.053 16.110 -3.566 460 HA2 GLY 70 HA2 GLY 70 15.154 18.295 -3.643 461 HA3 GLY 70 HA1 GLY 70 16.837 18.350 -4.149 462 H LEU 71 HN LEU 71 14.103 16.329 -5.151 463 HA LEU 71 HA LEU 71 14.757 16.882 -7.944 464 HB2 LEU 71 HB2 LEU 71 12.896 14.868 -6.680 465 HB3 LEU 71 HB1 LEU 71 13.124 15.048 -8.407 466 HG LEU 71 HG LEU 71 15.307 14.283 -6.465 467 HD11 LEU 71 HD11 LEU 71 13.604 12.545 -6.615 468 HD12 LEU 71 HD12 LEU 71 15.096 12.043 -7.408 469 HD13 LEU 71 HD13 LEU 71 13.721 12.573 -8.374 470 HD21 LEU 71 HD21 LEU 71 16.535 13.683 -8.513 471 HD22 LEU 71 HD22 LEU 71 16.165 15.404 -8.437 472 HD23 LEU 71 HD23 LEU 71 15.217 14.345 -9.481 473 H LYS 72 HN LYS 72 11.660 16.364 -6.281 474 HA LYS 72 HA LYS 72 10.665 18.854 -7.489 475 HB2 LYS 72 HB2 LYS 72 9.059 16.303 -7.278 476 HB3 LYS 72 HB1 LYS 72 8.564 17.804 -8.045 477 HG2 LYS 72 HG2 LYS 72 10.302 17.491 -9.753 478 HG3 LYS 72 HG1 LYS 72 10.760 15.967 -8.989 479 HD2 LYS 72 HD2 LYS 72 8.380 15.213 -9.328 480 HD3 LYS 72 HD1 LYS 72 8.148 16.651 -10.322 481 HE2 LYS 72 HE2 LYS 72 8.643 14.747 -11.728 482 HE3 LYS 72 HE1 LYS 72 9.973 15.901 -11.790 483 HZ1 LYS 72 HZ1 LYS 72 10.681 13.552 -11.578 484 HZ2 LYS 72 HZ2 LYS 72 9.952 13.490 -10.048 485 HZ3 LYS 72 HZ3 LYS 72 11.253 14.541 -10.335 486 H ALA 73 HN ALA 73 11.242 19.584 -5.280 487 HA ALA 73 HA ALA 73 9.612 18.533 -3.121 488 HB1 ALA 73 HB1 ALA 73 11.630 20.774 -3.089 489 HB2 ALA 73 HB2 ALA 73 11.971 19.083 -2.721 490 HB3 ALA 73 HB3 ALA 73 10.892 20.013 -1.680 491 H THR 74 HN THR 74 8.532 20.104 -5.461 492 HA THR 74 HA THR 74 7.359 22.402 -4.095 493 HB THR 74 HB THR 74 6.370 22.843 -6.395 494 HG1 THR 74 HG1 THR 74 6.554 20.892 -7.414 495 HG21 THR 74 HG21 THR 74 9.380 22.739 -6.137 496 HG22 THR 74 HG22 THR 74 8.334 24.046 -5.581 497 HG23 THR 74 HG23 THR 74 8.484 23.710 -7.305 498 H ARG 75 HN ARG 75 5.182 22.574 -3.683 499 HA ARG 75 HA ARG 75 3.636 20.100 -3.843 500 HB2 ARG 75 HB2 ARG 75 2.068 21.208 -2.324 501 HB3 ARG 75 HB1 ARG 75 3.707 21.279 -1.691 502 HG2 ARG 75 HG2 ARG 75 3.904 23.587 -2.512 503 HG3 ARG 75 HG1 ARG 75 2.239 23.507 -3.084 504 HD2 ARG 75 HD2 ARG 75 1.467 23.130 -0.802 505 HD3 ARG 75 HD1 ARG 75 3.131 23.179 -0.223 506 HE ARG 75 HE ARG 75 2.553 25.551 -1.633 507 HH11 ARG 75 HH11 ARG 75 1.779 23.931 1.373 508 HH12 ARG 75 HH12 ARG 75 1.493 25.405 2.241 509 HH21 ARG 75 HH21 ARG 75 2.174 27.499 -0.487 510 HH22 ARG 75 HH22 ARG 75 1.714 27.433 1.187 511 H ARG 76 HN ARG 76 4.164 22.776 -5.642 512 HA ARG 76 HA ARG 76 3.238 23.714 -7.464 513 HB2 ARG 76 HB2 ARG 76 2.909 21.224 -8.004 514 HB3 ARG 76 HB1 ARG 76 1.232 21.468 -7.541 515 HG2 ARG 76 HG2 ARG 76 1.483 21.621 -9.944 516 HG3 ARG 76 HG1 ARG 76 1.008 23.184 -9.277 517 HD2 ARG 76 HD2 ARG 76 3.342 23.924 -9.364 518 HD3 ARG 76 HD1 ARG 76 3.812 22.365 -10.037 519 HE ARG 76 HE ARG 76 1.899 23.307 -11.746 520 HH11 ARG 76 HH11 ARG 76 4.948 24.519 -10.528 521 HH12 ARG 76 HH12 ARG 76 5.302 25.436 -11.956 522 HH21 ARG 76 HH21 ARG 76 2.361 24.516 -13.633 523 HH22 ARG 76 HH22 ARG 76 3.826 25.438 -13.726 524 H SER 77 HN SER 77 2.453 24.771 -5.114 525 HA SER 77 HA SER 77 -0.406 24.998 -4.989 526 HB2 SER 77 HB2 SER 77 0.234 26.857 -3.311 527 HB3 SER 77 HB1 SER 77 0.639 25.192 -2.897 528 HG SER 77 HG SER 77 2.361 27.200 -3.932 529 H ARG 78 HN ARG 78 -1.576 26.235 -6.281 530 HA ARG 78 HA ARG 78 -0.386 28.741 -7.269 531 HB2 ARG 78 HB2 ARG 78 -1.849 28.548 -9.266 532 HB3 ARG 78 HB1 ARG 78 -0.653 27.268 -9.162 533 HG2 ARG 78 HG2 ARG 78 -3.415 26.815 -8.117 534 HG3 ARG 78 HG1 ARG 78 -3.087 26.707 -9.848 535 HD2 ARG 78 HD2 ARG 78 -1.353 25.037 -9.402 536 HD3 ARG 78 HD1 ARG 78 -1.698 25.139 -7.680 537 HE ARG 78 HE ARG 78 -4.025 24.374 -8.367 538 HH11 ARG 78 HH11 ARG 78 -1.140 23.509 -10.151 539 HH12 ARG 78 HH12 ARG 78 -1.766 21.977 -10.670 540 HH21 ARG 78 HH21 ARG 78 -4.853 22.352 -9.053 541 HH22 ARG 78 HH22 ARG 78 -3.870 21.319 -10.044 542 H LYS 79 HN LYS 79 -2.487 27.504 -5.167 543 HA LYS 79 HA LYS 79 -4.108 29.950 -5.203 544 HB2 LYS 79 HB2 LYS 79 -5.095 27.140 -4.699 545 HB3 LYS 79 HB1 LYS 79 -6.024 28.586 -4.323 546 HG2 LYS 79 HG2 LYS 79 -5.934 29.225 -6.701 547 HG3 LYS 79 HG1 LYS 79 -5.088 27.717 -7.047 548 HD2 LYS 79 HD2 LYS 79 -6.985 26.428 -6.306 549 HD3 LYS 79 HD1 LYS 79 -7.821 27.894 -5.787 550 HE2 LYS 79 HE2 LYS 79 -7.060 27.176 -8.615 551 HE3 LYS 79 HE1 LYS 79 -8.683 27.122 -7.926 552 HZ1 LYS 79 HZ1 LYS 79 -8.456 29.132 -9.149 553 HZ2 LYS 79 HZ2 LYS 79 -7.008 29.530 -8.377 554 HZ3 LYS 79 HZ3 LYS 79 -8.461 29.545 -7.508 555 H ALA 80 HN ALA 80 -1.715 29.467 -3.804 556 HA ALA 80 HA ALA 80 -2.389 28.805 -1.071 557 HB1 ALA 80 HB1 ALA 80 0.153 29.952 -2.223 558 HB2 ALA 80 HB2 ALA 80 -0.176 28.244 -1.936 559 HB3 ALA 80 HB3 ALA 80 -0.059 29.360 -0.576 560 H GLU 81 HN GLU 81 -2.591 31.497 -3.073 561 HA GLU 81 HA GLU 81 -2.179 33.614 -1.268 562 HB2 GLU 81 HB2 GLU 81 -2.331 33.970 -3.672 563 HB3 GLU 81 HB1 GLU 81 -3.998 33.413 -3.674 564 HG2 GLU 81 HG2 GLU 81 -4.582 35.325 -2.212 565 HG3 GLU 81 HG1 GLU 81 -2.927 35.907 -2.382 566 H ARG 82 HN ARG 82 -4.980 31.599 -1.986 567 HA ARG 82 HA ARG 82 -6.686 33.107 -0.199 568 HB2 ARG 82 HB2 ARG 82 -8.430 31.550 -0.826 569 HB3 ARG 82 HB1 ARG 82 -7.579 32.074 -2.271 570 HG2 ARG 82 HG2 ARG 82 -6.298 29.975 -2.257 571 HG3 ARG 82 HG1 ARG 82 -7.209 29.448 -0.841 572 HD2 ARG 82 HD2 ARG 82 -9.289 29.627 -2.154 573 HD3 ARG 82 HD1 ARG 82 -8.333 30.075 -3.567 574 HE ARG 82 HE ARG 82 -7.282 27.687 -2.715 575 HH11 ARG 82 HH11 ARG 82 -10.441 28.802 -3.719 576 HH12 ARG 82 HH12 ARG 82 -10.923 27.264 -4.360 577 HH21 ARG 82 HH21 ARG 82 -7.914 25.659 -3.572 578 HH22 ARG 82 HH22 ARG 82 -9.486 25.483 -4.285 579 H ALA 83 HN ALA 83 -4.267 31.020 0.305 580 HA ALA 83 HA ALA 83 -3.547 29.709 1.997 581 HB1 ALA 83 HB1 ALA 83 -5.982 30.671 3.493 582 HB2 ALA 83 HB2 ALA 83 -4.407 31.464 3.472 583 HB3 ALA 83 HB3 ALA 83 -4.578 29.864 4.190 584 H LYS 84 HN LYS 84 -7.086 29.358 2.304 585 HA LYS 84 HA LYS 84 -6.755 26.524 1.586 586 HB2 LYS 84 HB2 LYS 84 -8.258 27.765 3.839 587 HB3 LYS 84 HB1 LYS 84 -8.947 26.341 3.074 588 HG2 LYS 84 HG2 LYS 84 -6.169 26.483 4.215 589 HG3 LYS 84 HG1 LYS 84 -7.576 25.839 5.065 590 HD2 LYS 84 HD2 LYS 84 -7.878 24.206 3.229 591 HD3 LYS 84 HD1 LYS 84 -6.391 24.800 2.492 592 HE2 LYS 84 HE2 LYS 84 -5.119 24.128 4.442 593 HE3 LYS 84 HE1 LYS 84 -6.596 23.609 5.252 594 HZ1 LYS 84 HZ1 LYS 84 -5.515 22.430 2.748 595 HZ2 LYS 84 HZ2 LYS 84 -6.898 21.918 3.573 596 HZ3 LYS 84 HZ3 LYS 84 -5.381 21.749 4.290 597 H LEU 85 HN LEU 85 -9.577 28.593 2.170 598 HA LEU 85 HA LEU 85 -10.366 28.262 -0.633 599 HB2 LEU 85 HB2 LEU 85 -12.089 27.585 1.751 600 HB3 LEU 85 HB1 LEU 85 -12.688 27.731 0.110 601 HG LEU 85 HG LEU 85 -10.594 25.727 0.953 602 HD11 LEU 85 HD11 LEU 85 -12.380 24.068 0.873 603 HD12 LEU 85 HD12 LEU 85 -13.560 25.344 0.569 604 HD13 LEU 85 HD13 LEU 85 -12.699 25.286 2.107 605 HD21 LEU 85 HD21 LEU 85 -11.156 24.669 -1.181 606 HD22 LEU 85 HD22 LEU 85 -10.550 26.307 -1.413 607 HD23 LEU 85 HD23 LEU 85 -12.279 25.980 -1.537
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