NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
24631 | 2k3r | 15776 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H LYS 15 H LYS 15 -19.163 -16.832 3.833 2 HA LYS 15 HA LYS 15 -17.415 -18.734 3.581 3 HB2 LYS 15 HB2 LYS 15 -20.085 -20.161 3.704 4 HB3 LYS 15 HB3 LYS 15 -18.591 -20.882 3.091 5 HG2 LYS 15 HG2 LYS 15 -17.505 -20.545 5.254 6 HG3 LYS 15 HG3 LYS 15 -18.985 -19.822 5.894 7 HD2 LYS 15 HD2 LYS 15 -20.189 -21.943 5.539 8 HD3 LYS 15 HD3 LYS 15 -18.731 -22.650 4.843 9 HE2 LYS 15 HE2 LYS 15 -18.922 -23.374 7.166 10 HE3 LYS 15 HE3 LYS 15 -17.554 -22.277 7.000 11 HZ1 LYS 15 HZ1 LYS 15 -18.765 -21.643 8.918 12 HZ2 LYS 15 HZ2 LYS 15 -20.230 -21.572 8.059 13 HZ3 LYS 15 HZ3 LYS 15 -18.990 -20.465 7.719 14 H GLU 16 H GLU 16 -19.595 -20.266 1.647 15 HA GLU 16 HA GLU 16 -19.067 -18.863 -0.712 16 HB2 GLU 16 HB2 GLU 16 -21.211 -20.896 -0.079 17 HB3 GLU 16 HB3 GLU 16 -20.896 -20.255 -1.695 18 HG2 GLU 16 HG2 GLU 16 -18.606 -21.043 -1.614 19 HG3 GLU 16 HG3 GLU 16 -18.814 -21.595 0.044 20 H ARG 17 H ARG 17 -21.671 -18.599 1.597 21 HA ARG 17 HA ARG 17 -23.590 -17.274 0.096 22 HB2 ARG 17 HB2 ARG 17 -23.932 -18.193 2.380 23 HB3 ARG 17 HB3 ARG 17 -22.943 -16.889 3.037 24 HG2 ARG 17 HG2 ARG 17 -24.543 -15.231 2.115 25 HG3 ARG 17 HG3 ARG 17 -25.551 -16.551 1.520 26 HD2 ARG 17 HD2 ARG 17 -25.748 -17.394 3.853 27 HD3 ARG 17 HD3 ARG 17 -24.853 -15.988 4.402 28 HE ARG 17 HE ARG 17 -27.155 -15.248 2.853 29 HH11 ARG 17 HH11 ARG 17 -25.991 -16.082 6.012 30 HH12 ARG 17 HH12 ARG 17 -27.194 -15.149 6.830 31 HH21 ARG 17 HH21 ARG 17 -28.858 -14.217 3.939 32 HH22 ARG 17 HH22 ARG 17 -28.741 -14.021 5.650 33 H ILE 18 H ILE 18 -20.989 -15.873 2.076 34 HA ILE 18 HA ILE 18 -21.611 -13.173 1.630 35 HB ILE 18 HB ILE 18 -19.024 -14.541 2.344 36 HG12 ILE 18 HG12 ILE 18 -20.943 -12.880 4.015 37 HG13 ILE 18 HG13 ILE 18 -21.034 -14.632 3.901 38 HG21 ILE 18 HG21 ILE 18 -18.129 -12.563 1.628 39 HG22 ILE 18 HG22 ILE 18 -18.665 -12.013 3.209 40 HG23 ILE 18 HG23 ILE 18 -19.647 -11.685 1.782 41 HD11 ILE 18 HD11 ILE 18 -19.721 -14.421 5.782 42 HD12 ILE 18 HD12 ILE 18 -18.972 -12.921 5.228 43 HD13 ILE 18 HD13 ILE 18 -18.454 -14.468 4.558 44 H ASP 19 H ASP 19 -19.576 -15.464 -0.085 45 HA ASP 19 HA ASP 19 -18.301 -13.682 -1.849 46 HB2 ASP 19 HB2 ASP 19 -17.535 -15.974 -1.375 47 HB3 ASP 19 HB3 ASP 19 -18.951 -16.616 -2.192 48 H ILE 20 H ILE 20 -21.291 -15.609 -2.252 49 HA ILE 20 HA ILE 20 -21.934 -14.711 -4.835 50 HB ILE 20 HB ILE 20 -23.867 -15.447 -2.631 51 HG12 ILE 20 HG12 ILE 20 -22.226 -17.220 -2.971 52 HG13 ILE 20 HG13 ILE 20 -23.802 -17.708 -3.565 53 HG21 ILE 20 HG21 ILE 20 -24.177 -14.837 -5.521 54 HG22 ILE 20 HG22 ILE 20 -25.328 -14.682 -4.190 55 HG23 ILE 20 HG23 ILE 20 -25.041 -16.258 -4.930 56 HD11 ILE 20 HD11 ILE 20 -22.310 -18.404 -5.248 57 HD12 ILE 20 HD12 ILE 20 -21.376 -16.917 -5.175 58 HD13 ILE 20 HD13 ILE 20 -22.991 -16.912 -5.882 59 H LEU 21 H LEU 21 -22.883 -13.378 -1.674 60 HA LEU 21 HA LEU 21 -24.381 -11.220 -2.667 61 HB2 LEU 21 HB2 LEU 21 -22.849 -11.573 -0.084 62 HB3 LEU 21 HB3 LEU 21 -23.864 -10.173 -0.414 63 HG LEU 21 HG LEU 21 -24.874 -13.022 -0.608 64 HD11 LEU 21 HD11 LEU 21 -25.974 -12.509 1.598 65 HD12 LEU 21 HD12 LEU 21 -24.963 -11.068 1.710 66 HD13 LEU 21 HD13 LEU 21 -24.219 -12.663 1.683 67 HD21 LEU 21 HD21 LEU 21 -26.493 -11.850 -1.708 68 HD22 LEU 21 HD22 LEU 21 -26.008 -10.306 -0.998 69 HD23 LEU 21 HD23 LEU 21 -27.017 -11.429 -0.076 70 H PHE 22 H PHE 22 -20.942 -11.486 -1.940 71 HA PHE 22 HA PHE 22 -20.163 -8.855 -2.404 72 HB2 PHE 22 HB2 PHE 22 -18.669 -10.527 -1.411 73 HB3 PHE 22 HB3 PHE 22 -18.643 -11.418 -2.926 74 HD1 PHE 22 HD1 PHE 22 -17.664 -8.178 -1.335 75 HD2 PHE 22 HD2 PHE 22 -17.041 -10.944 -4.550 76 HE1 PHE 22 HE1 PHE 22 -15.590 -7.000 -1.979 77 HE2 PHE 22 HE2 PHE 22 -15.378 -9.344 -5.540 78 HZ PHE 22 HZ PHE 22 -14.473 -7.554 -4.094 79 H SER 23 H SER 23 -20.502 -11.547 -4.728 80 HA SER 23 HA SER 23 -19.516 -10.165 -7.024 81 HB2 SER 23 HB2 SER 23 -19.602 -12.540 -7.131 82 HB3 SER 23 HB3 SER 23 -21.282 -12.575 -6.596 83 HG SER 23 HG SER 23 -20.770 -12.789 -8.964 84 H LEU 24 H LEU 24 -22.768 -10.733 -5.697 85 HA LEU 24 HA LEU 24 -24.194 -9.306 -7.658 86 HB2 LEU 24 HB2 LEU 24 -24.841 -9.829 -4.752 87 HB3 LEU 24 HB3 LEU 24 -25.959 -9.070 -5.884 88 HG LEU 24 HG LEU 24 -24.689 -11.770 -6.397 89 HD11 LEU 24 HD11 LEU 24 -27.364 -11.094 -5.130 90 HD12 LEU 24 HD12 LEU 24 -26.024 -11.969 -4.387 91 HD13 LEU 24 HD13 LEU 24 -26.912 -12.695 -5.727 92 HD21 LEU 24 HD21 LEU 24 -26.659 -10.025 -7.787 93 HD22 LEU 24 HD22 LEU 24 -27.010 -11.754 -7.776 94 HD23 LEU 24 HD23 LEU 24 -25.491 -11.167 -8.449 95 H ALA 25 H ALA 25 -22.822 -8.247 -4.577 96 HA ALA 25 HA ALA 25 -23.695 -5.591 -4.650 97 HB1 ALA 25 HB1 ALA 25 -22.769 -5.971 -2.600 98 HB2 ALA 25 HB2 ALA 25 -21.308 -5.363 -3.369 99 HB3 ALA 25 HB3 ALA 25 -21.576 -7.099 -3.246 100 H GLU 26 H GLU 26 -20.807 -7.140 -6.059 101 HA GLU 26 HA GLU 26 -19.562 -4.807 -6.952 102 HB2 GLU 26 HB2 GLU 26 -18.507 -7.041 -6.877 103 HB3 GLU 26 HB3 GLU 26 -19.522 -7.562 -8.219 104 HG2 GLU 26 HG2 GLU 26 -18.545 -5.837 -9.663 105 HG3 GLU 26 HG3 GLU 26 -17.525 -5.285 -8.343 106 H ARG 27 H ARG 27 -21.991 -6.838 -8.659 107 HA ARG 27 HA ARG 27 -21.795 -5.402 -11.120 108 HB2 ARG 27 HB2 ARG 27 -22.768 -7.666 -10.985 109 HB3 ARG 27 HB3 ARG 27 -24.127 -7.012 -10.064 110 HG2 ARG 27 HG2 ARG 27 -24.667 -5.502 -11.955 111 HG3 ARG 27 HG3 ARG 27 -23.337 -6.197 -12.875 112 HD2 ARG 27 HD2 ARG 27 -24.461 -8.427 -12.734 113 HD3 ARG 27 HD3 ARG 27 -25.827 -7.635 -11.945 114 HE ARG 27 HE ARG 27 -25.035 -7.382 -14.745 115 HH11 ARG 27 HH11 ARG 27 -26.701 -5.655 -12.188 116 HH12 ARG 27 HH12 ARG 27 -28.123 -5.456 -13.117 117 HH21 ARG 27 HH21 ARG 27 -26.831 -6.613 -16.026 118 HH22 ARG 27 HH22 ARG 27 -27.427 -5.129 -15.373 119 H VAL 28 H VAL 28 -24.056 -5.130 -8.393 120 HA VAL 28 HA VAL 28 -25.627 -3.050 -9.494 121 HB VAL 28 HB VAL 28 -26.362 -4.464 -7.638 122 HG11 VAL 28 HG11 VAL 28 -25.519 -4.199 -5.392 123 HG12 VAL 28 HG12 VAL 28 -24.446 -2.893 -5.892 124 HG13 VAL 28 HG13 VAL 28 -24.170 -4.541 -6.463 125 HG21 VAL 28 HG21 VAL 28 -26.563 -1.570 -7.736 126 HG22 VAL 28 HG22 VAL 28 -26.731 -2.160 -6.086 127 HG23 VAL 28 HG23 VAL 28 -27.792 -2.771 -7.351 128 H PHE 29 H PHE 29 -22.619 -3.121 -7.790 129 HA PHE 29 HA PHE 29 -22.545 -0.664 -6.601 130 HB2 PHE 29 HB2 PHE 29 -20.954 -2.382 -6.142 131 HB3 PHE 29 HB3 PHE 29 -20.298 -2.306 -7.771 132 HD1 PHE 29 HD1 PHE 29 -21.161 -0.031 -4.964 133 HD2 PHE 29 HD2 PHE 29 -18.130 -1.472 -7.570 134 HE1 PHE 29 HE1 PHE 29 -19.452 1.174 -3.712 135 HE2 PHE 29 HE2 PHE 29 -16.716 0.481 -6.915 136 HZ PHE 29 HZ PHE 29 -17.202 1.572 -4.722 137 HA PRO 30 HA PRO 30 -20.680 1.565 -10.483 138 HB2 PRO 30 HB2 PRO 30 -20.884 0.249 -12.873 139 HB3 PRO 30 HB3 PRO 30 -19.425 0.199 -11.864 140 HG2 PRO 30 HG2 PRO 30 -21.595 -1.818 -12.155 141 HG3 PRO 30 HG3 PRO 30 -19.848 -2.060 -11.984 142 HD2 PRO 30 HD2 PRO 30 -21.614 -2.373 -9.912 143 HD3 PRO 30 HD3 PRO 30 -19.916 -1.912 -9.691 144 H TYR 31 H TYR 31 -23.368 -0.666 -10.744 145 HA TYR 31 HA TYR 31 -24.849 0.694 -12.734 146 HB2 TYR 31 HB2 TYR 31 -25.311 -1.611 -12.232 147 HB3 TYR 31 HB3 TYR 31 -25.732 -1.219 -10.569 148 HD1 TYR 31 HD1 TYR 31 -26.773 -0.930 -14.113 149 HD2 TYR 31 HD2 TYR 31 -27.876 -0.346 -10.005 150 HE1 TYR 31 HE1 TYR 31 -29.133 -0.606 -14.791 151 HE2 TYR 31 HE2 TYR 31 -30.200 0.152 -10.693 152 HH TYR 31 HH TYR 31 -31.618 -0.764 -13.116 153 H SER 32 H SER 32 -25.034 0.767 -9.216 154 HA SER 32 HA SER 32 -25.876 3.519 -9.147 155 HB2 SER 32 HB2 SER 32 -27.788 1.442 -8.043 156 HB3 SER 32 HB3 SER 32 -27.975 3.193 -8.016 157 HG SER 32 HG SER 32 -27.586 2.541 -10.506 158 HA PRO 33 HA PRO 33 -23.261 2.642 -5.502 159 HB2 PRO 33 HB2 PRO 33 -24.125 5.448 -4.897 160 HB3 PRO 33 HB3 PRO 33 -22.508 4.728 -4.927 161 HG2 PRO 33 HG2 PRO 33 -23.355 6.357 -6.863 162 HG3 PRO 33 HG3 PRO 33 -22.261 5.000 -7.163 163 HD2 PRO 33 HD2 PRO 33 -25.143 5.265 -7.816 164 HD3 PRO 33 HD3 PRO 33 -23.871 4.335 -8.636 165 H GLU 34 H GLU 34 -26.338 4.330 -5.367 166 HA GLU 34 HA GLU 34 -26.851 4.015 -2.639 167 HB2 GLU 34 HB2 GLU 34 -27.913 5.682 -4.101 168 HB3 GLU 34 HB3 GLU 34 -28.784 4.412 -4.953 169 HG2 GLU 34 HG2 GLU 34 -29.938 3.797 -2.857 170 HG3 GLU 34 HG3 GLU 34 -29.077 5.075 -2.005 171 H LEU 35 H LEU 35 -27.883 2.053 -5.419 172 HA LEU 35 HA LEU 35 -29.438 0.169 -3.954 173 HB2 LEU 35 HB2 LEU 35 -28.021 -0.025 -6.620 174 HB3 LEU 35 HB3 LEU 35 -29.041 -1.295 -5.951 175 HG LEU 35 HG LEU 35 -30.019 1.537 -6.338 176 HD11 LEU 35 HD11 LEU 35 -29.600 -0.580 -8.315 177 HD12 LEU 35 HD12 LEU 35 -30.036 1.117 -8.546 178 HD13 LEU 35 HD13 LEU 35 -31.292 -0.078 -8.221 179 HD21 LEU 35 HD21 LEU 35 -31.520 0.553 -4.886 180 HD22 LEU 35 HD22 LEU 35 -31.237 -1.075 -5.499 181 HD23 LEU 35 HD23 LEU 35 -32.216 0.058 -6.422 182 H ALA 36 H ALA 36 -26.070 0.353 -4.896 183 HA ALA 36 HA ALA 36 -25.242 -2.222 -4.089 184 HB1 ALA 36 HB1 ALA 36 -23.379 0.109 -3.915 185 HB2 ALA 36 HB2 ALA 36 -24.049 -0.319 -5.486 186 HB3 ALA 36 HB3 ALA 36 -23.103 -1.498 -4.579 187 H LYS 37 H LYS 37 -25.551 0.828 -2.478 188 HA LYS 37 HA LYS 37 -24.169 0.339 -0.078 189 HB2 LYS 37 HB2 LYS 37 -25.007 2.534 -0.944 190 HB3 LYS 37 HB3 LYS 37 -26.642 2.025 -0.593 191 HG2 LYS 37 HG2 LYS 37 -24.514 2.276 1.541 192 HG3 LYS 37 HG3 LYS 37 -25.581 3.593 1.085 193 HD2 LYS 37 HD2 LYS 37 -27.544 2.215 1.689 194 HD3 LYS 37 HD3 LYS 37 -26.476 0.903 2.180 195 HE2 LYS 37 HE2 LYS 37 -25.457 2.322 3.892 196 HE3 LYS 37 HE3 LYS 37 -26.504 3.663 3.412 197 HZ1 LYS 37 HZ1 LYS 37 -28.354 2.604 4.230 198 HZ2 LYS 37 HZ2 LYS 37 -27.184 2.148 5.374 199 HZ3 LYS 37 HZ3 LYS 37 -27.652 1.058 4.160 200 H ARG 38 H ARG 38 -27.588 -0.151 -0.965 201 HA ARG 38 HA ARG 38 -28.402 -1.385 1.468 202 HB2 ARG 38 HB2 ARG 38 -29.411 -1.559 -1.361 203 HB3 ARG 38 HB3 ARG 38 -30.203 -2.371 -0.007 204 HG2 ARG 38 HG2 ARG 38 -30.465 -0.230 1.146 205 HG3 ARG 38 HG3 ARG 38 -29.645 0.615 -0.161 206 HD2 ARG 38 HD2 ARG 38 -31.432 -0.116 -1.736 207 HD3 ARG 38 HD3 ARG 38 -32.239 -0.926 -0.406 208 HE ARG 38 HE ARG 38 -32.022 1.979 -0.800 209 HH11 ARG 38 HH11 ARG 38 -32.548 -0.501 1.563 210 HH12 ARG 38 HH12 ARG 38 -33.797 0.371 2.382 211 HH21 ARG 38 HH21 ARG 38 -33.786 3.025 0.152 212 HH22 ARG 38 HH22 ARG 38 -34.183 2.550 1.771 213 H TYR 39 H TYR 39 -27.093 -2.805 -1.552 214 HA TYR 39 HA TYR 39 -27.386 -5.498 -0.733 215 HB2 TYR 39 HB2 TYR 39 -25.707 -4.212 -2.870 216 HB3 TYR 39 HB3 TYR 39 -25.698 -5.948 -2.568 217 HD1 TYR 39 HD1 TYR 39 -27.980 -7.146 -2.496 218 HD2 TYR 39 HD2 TYR 39 -27.271 -3.388 -4.445 219 HE1 TYR 39 HE1 TYR 39 -30.052 -7.434 -3.790 220 HE2 TYR 39 HE2 TYR 39 -29.478 -3.589 -5.600 221 HH TYR 39 HH TYR 39 -30.606 -5.864 -6.610 222 H VAL 40 H VAL 40 -24.659 -3.269 -0.403 223 HA VAL 40 HA VAL 40 -22.788 -5.211 0.521 224 HB VAL 40 HB VAL 40 -22.890 -2.220 0.915 225 HG11 VAL 40 HG11 VAL 40 -21.577 -3.156 2.731 226 HG12 VAL 40 HG12 VAL 40 -20.459 -2.512 1.536 227 HG13 VAL 40 HG13 VAL 40 -20.744 -4.245 1.627 228 HG21 VAL 40 HG21 VAL 40 -21.802 -4.034 -1.159 229 HG22 VAL 40 HG22 VAL 40 -20.730 -2.733 -0.635 230 HG23 VAL 40 HG23 VAL 40 -22.324 -2.350 -1.282 231 H GLU 41 H GLU 41 -25.151 -3.122 2.125 232 HA GLU 41 HA GLU 41 -24.194 -3.445 4.777 233 HB2 GLU 41 HB2 GLU 41 -25.741 -1.643 4.196 234 HB3 GLU 41 HB3 GLU 41 -26.963 -2.797 3.700 235 HG2 GLU 41 HG2 GLU 41 -27.546 -2.028 5.899 236 HG3 GLU 41 HG3 GLU 41 -27.005 -3.685 6.048 237 H LEU 42 H LEU 42 -26.585 -5.149 2.790 238 HA LEU 42 HA LEU 42 -27.167 -7.292 4.471 239 HB2 LEU 42 HB2 LEU 42 -28.344 -6.879 2.400 240 HB3 LEU 42 HB3 LEU 42 -26.878 -7.058 1.466 241 HG LEU 42 HG LEU 42 -26.782 -9.443 2.022 242 HD11 LEU 42 HD11 LEU 42 -28.087 -9.157 4.229 243 HD12 LEU 42 HD12 LEU 42 -28.470 -10.574 3.247 244 HD13 LEU 42 HD13 LEU 42 -29.542 -9.172 3.225 245 HD21 LEU 42 HD21 LEU 42 -28.969 -10.007 0.759 246 HD22 LEU 42 HD22 LEU 42 -27.849 -8.892 -0.022 247 HD23 LEU 42 HD23 LEU 42 -29.277 -8.274 0.798 248 H ALA 43 H ALA 43 -24.321 -6.943 2.296 249 HA ALA 43 HA ALA 43 -23.472 -9.657 2.700 250 HB1 ALA 43 HB1 ALA 43 -21.769 -9.158 1.294 251 HB2 ALA 43 HB2 ALA 43 -21.462 -7.583 2.023 252 HB3 ALA 43 HB3 ALA 43 -22.799 -7.786 0.889 253 H LEU 44 H LEU 44 -22.576 -6.565 4.173 254 HA LEU 44 HA LEU 44 -20.622 -7.575 5.945 255 HB2 LEU 44 HB2 LEU 44 -22.132 -5.012 5.705 256 HB3 LEU 44 HB3 LEU 44 -21.246 -5.344 7.186 257 HG LEU 44 HG LEU 44 -19.182 -5.729 5.890 258 HD11 LEU 44 HD11 LEU 44 -19.601 -6.482 3.783 259 HD12 LEU 44 HD12 LEU 44 -19.495 -4.770 3.393 260 HD13 LEU 44 HD13 LEU 44 -21.066 -5.526 3.611 261 HD21 LEU 44 HD21 LEU 44 -19.237 -3.283 4.763 262 HD22 LEU 44 HD22 LEU 44 -19.112 -3.538 6.505 263 HD23 LEU 44 HD23 LEU 44 -20.679 -3.165 5.780 264 H LEU 45 H LEU 45 -24.109 -7.000 6.367 265 HA LEU 45 HA LEU 45 -24.242 -7.702 9.082 266 HB2 LEU 45 HB2 LEU 45 -26.128 -6.645 7.892 267 HB3 LEU 45 HB3 LEU 45 -26.348 -8.117 6.942 268 HG LEU 45 HG LEU 45 -26.840 -9.382 8.973 269 HD11 LEU 45 HD11 LEU 45 -25.591 -8.379 10.690 270 HD12 LEU 45 HD12 LEU 45 -27.243 -7.913 11.092 271 HD13 LEU 45 HD13 LEU 45 -26.174 -6.757 10.302 272 HD21 LEU 45 HD21 LEU 45 -28.642 -8.102 7.746 273 HD22 LEU 45 HD22 LEU 45 -28.488 -6.836 8.960 274 HD23 LEU 45 HD23 LEU 45 -29.008 -8.448 9.436 275 H VAL 46 H VAL 46 -24.484 -9.637 6.141 276 HA VAL 46 HA VAL 46 -24.895 -12.153 7.338 277 HB VAL 46 HB VAL 46 -23.528 -11.358 4.765 278 HG11 VAL 46 HG11 VAL 46 -23.837 -13.714 4.068 279 HG12 VAL 46 HG12 VAL 46 -24.389 -14.119 5.691 280 HG13 VAL 46 HG13 VAL 46 -22.730 -13.585 5.433 281 HG21 VAL 46 HG21 VAL 46 -26.126 -11.084 5.417 282 HG22 VAL 46 HG22 VAL 46 -26.153 -12.766 4.888 283 HG23 VAL 46 HG23 VAL 46 -25.599 -11.506 3.790 284 H GLN 47 H GLN 47 -21.898 -10.394 6.587 285 HA GLN 47 HA GLN 47 -20.079 -12.453 7.120 286 HB2 GLN 47 HB2 GLN 47 -19.535 -10.304 6.005 287 HB3 GLN 47 HB3 GLN 47 -19.776 -9.459 7.525 288 HG2 GLN 47 HG2 GLN 47 -17.931 -10.772 8.538 289 HG3 GLN 47 HG3 GLN 47 -17.664 -11.552 6.980 290 HE21 GLN 47 HE21 GLN 47 -15.821 -10.601 6.077 291 HE22 GLN 47 HE22 GLN 47 -15.663 -8.928 5.825 292 H GLN 48 H GLN 48 -21.175 -9.822 9.364 293 HA GLN 48 HA GLN 48 -19.861 -10.874 11.585 294 HB2 GLN 48 HB2 GLN 48 -21.245 -9.429 12.945 295 HB3 GLN 48 HB3 GLN 48 -20.658 -8.573 11.526 296 HG2 GLN 48 HG2 GLN 48 -22.826 -8.959 10.410 297 HG3 GLN 48 HG3 GLN 48 -23.431 -9.759 11.862 298 HE21 GLN 48 HE21 GLN 48 -24.192 -8.434 13.568 299 HE22 GLN 48 HE22 GLN 48 -24.633 -6.868 13.111 300 H LYS 49 H LYS 49 -23.172 -11.455 10.462 301 HA LYS 49 HA LYS 49 -23.986 -13.006 12.642 302 HB2 LYS 49 HB2 LYS 49 -24.888 -13.105 9.760 303 HB3 LYS 49 HB3 LYS 49 -25.706 -13.933 11.081 304 HG2 LYS 49 HG2 LYS 49 -25.266 -10.947 10.989 305 HG3 LYS 49 HG3 LYS 49 -26.749 -11.762 10.477 306 HD2 LYS 49 HD2 LYS 49 -27.019 -12.651 12.747 307 HD3 LYS 49 HD3 LYS 49 -25.527 -11.836 13.248 308 HE2 LYS 49 HE2 LYS 49 -26.541 -9.661 12.680 309 HE3 LYS 49 HE3 LYS 49 -28.023 -10.484 12.186 310 HZ1 LYS 49 HZ1 LYS 49 -28.356 -11.264 14.407 311 HZ2 LYS 49 HZ2 LYS 49 -28.069 -9.590 14.478 312 HZ3 LYS 49 HZ3 LYS 49 -26.841 -10.685 14.899 313 H ALA 50 H ALA 50 -22.538 -14.045 9.568 314 HA ALA 50 HA ALA 50 -22.317 -16.799 10.279 315 HB1 ALA 50 HB1 ALA 50 -20.732 -15.192 8.273 316 HB2 ALA 50 HB2 ALA 50 -22.280 -15.980 7.957 317 HB3 ALA 50 HB3 ALA 50 -20.850 -16.948 8.327 318 H LYS 51 H LYS 51 -20.622 -14.012 11.275 319 HA LYS 51 HA LYS 51 -18.691 -13.676 12.437 320 HB2 LYS 51 HB2 LYS 51 -20.226 -15.441 13.779 321 HB3 LYS 51 HB3 LYS 51 -18.736 -16.378 13.643 322 HG2 LYS 51 HG2 LYS 51 -17.468 -14.547 14.635 323 HG3 LYS 51 HG3 LYS 51 -18.901 -13.520 14.652 324 HD2 LYS 51 HD2 LYS 51 -19.998 -15.094 16.219 325 HD3 LYS 51 HD3 LYS 51 -18.560 -16.112 16.197 326 HE2 LYS 51 HE2 LYS 51 -17.217 -14.233 17.102 327 HE3 LYS 51 HE3 LYS 51 -18.666 -13.230 17.135 328 HZ1 LYS 51 HZ1 LYS 51 -19.082 -14.045 19.130 329 HZ2 LYS 51 HZ2 LYS 51 -17.815 -15.173 19.012 330 HZ3 LYS 51 HZ3 LYS 51 -19.352 -15.567 18.418 331 H VAL 52 H VAL 52 -18.081 -14.313 9.909 332 HA VAL 52 HA VAL 52 -15.676 -16.032 10.191 333 HB VAL 52 HB VAL 52 -15.833 -16.296 7.698 334 HG11 VAL 52 HG11 VAL 52 -16.624 -18.264 8.425 335 HG12 VAL 52 HG12 VAL 52 -18.239 -17.621 8.131 336 HG13 VAL 52 HG13 VAL 52 -17.523 -17.514 9.739 337 HG21 VAL 52 HG21 VAL 52 -17.331 -15.150 6.492 338 HG22 VAL 52 HG22 VAL 52 -17.863 -14.331 7.952 339 HG23 VAL 52 HG23 VAL 52 -18.658 -15.812 7.443 340 H LYS 53 H LYS 53 -13.796 -15.067 9.956 341 HA LYS 53 HA LYS 53 -13.672 -12.301 8.988 342 HB2 LYS 53 HB2 LYS 53 -12.497 -12.932 11.060 343 HB3 LYS 53 HB3 LYS 53 -11.514 -14.080 10.142 344 HG2 LYS 53 HG2 LYS 53 -10.639 -12.234 8.780 345 HG3 LYS 53 HG3 LYS 53 -11.653 -11.089 9.671 346 HD2 LYS 53 HD2 LYS 53 -10.483 -11.691 11.778 347 HD3 LYS 53 HD3 LYS 53 -9.466 -12.809 10.878 348 HE2 LYS 53 HE2 LYS 53 -8.544 -10.969 9.551 349 HE3 LYS 53 HE3 LYS 53 -9.598 -9.821 10.368 350 HZ1 LYS 53 HZ1 LYS 53 -8.311 -9.827 12.188 351 HZ2 LYS 53 HZ2 LYS 53 -7.105 -10.422 11.161 352 HZ3 LYS 53 HZ3 LYS 53 -8.003 -11.494 12.127 353 H ILE 54 H ILE 54 -12.998 -11.765 7.030 354 HA ILE 54 HA ILE 54 -11.721 -13.827 5.341 355 HB ILE 54 HB ILE 54 -12.751 -11.986 3.578 356 HG12 ILE 54 HG12 ILE 54 -14.823 -12.431 5.757 357 HG13 ILE 54 HG13 ILE 54 -14.108 -10.887 5.304 358 HG21 ILE 54 HG21 ILE 54 -14.149 -13.765 2.871 359 HG22 ILE 54 HG22 ILE 54 -14.222 -14.455 4.490 360 HG23 ILE 54 HG23 ILE 54 -12.718 -14.527 3.573 361 HD11 ILE 54 HD11 ILE 54 -15.130 -11.006 3.089 362 HD12 ILE 54 HD12 ILE 54 -16.368 -11.227 4.324 363 HD13 ILE 54 HD13 ILE 54 -15.754 -12.618 3.445 364 HA PRO 55 HA PRO 55 -8.135 -11.585 5.017 365 HB2 PRO 55 HB2 PRO 55 -8.506 -11.545 2.004 366 HB3 PRO 55 HB3 PRO 55 -7.037 -11.901 2.932 367 HG2 PRO 55 HG2 PRO 55 -8.528 -13.857 1.967 368 HG3 PRO 55 HG3 PRO 55 -7.797 -13.988 3.574 369 HD2 PRO 55 HD2 PRO 55 -10.640 -13.605 2.853 370 HD3 PRO 55 HD3 PRO 55 -9.929 -14.264 4.341 371 H ARG 56 H ARG 56 -8.488 -9.883 2.104 372 HA ARG 56 HA ARG 56 -9.111 -7.416 3.567 373 HB2 ARG 56 HB2 ARG 56 -7.735 -7.962 0.938 374 HB3 ARG 56 HB3 ARG 56 -8.059 -6.339 1.556 375 HG2 ARG 56 HG2 ARG 56 -6.765 -6.837 3.587 376 HG3 ARG 56 HG3 ARG 56 -6.529 -8.496 3.066 377 HD2 ARG 56 HD2 ARG 56 -4.520 -7.238 2.599 378 HD3 ARG 56 HD3 ARG 56 -5.304 -7.618 1.070 379 HE ARG 56 HE ARG 56 -6.179 -5.096 2.021 380 HH11 ARG 56 HH11 ARG 56 -3.531 -6.749 0.474 381 HH12 ARG 56 HH12 ARG 56 -2.969 -5.330 -0.341 382 HH21 ARG 56 HH21 ARG 56 -5.360 -3.240 0.976 383 HH22 ARG 56 HH22 ARG 56 -3.747 -3.269 0.343 384 H LYS 57 H LYS 57 -10.925 -9.602 1.874 385 HA LYS 57 HA LYS 57 -11.704 -8.209 -0.409 386 HB2 LYS 57 HB2 LYS 57 -13.203 -10.350 1.122 387 HB3 LYS 57 HB3 LYS 57 -13.663 -9.747 -0.463 388 HG2 LYS 57 HG2 LYS 57 -11.567 -10.503 -1.428 389 HG3 LYS 57 HG3 LYS 57 -11.021 -11.088 0.148 390 HD2 LYS 57 HD2 LYS 57 -12.903 -12.674 0.232 391 HD3 LYS 57 HD3 LYS 57 -13.499 -12.061 -1.308 392 HE2 LYS 57 HE2 LYS 57 -11.422 -12.829 -2.402 393 HE3 LYS 57 HE3 LYS 57 -10.816 -13.424 -0.857 394 HZ1 LYS 57 HZ1 LYS 57 -11.751 -15.298 -1.763 395 HZ2 LYS 57 HZ2 LYS 57 -13.026 -14.466 -2.506 396 HZ3 LYS 57 HZ3 LYS 57 -13.041 -14.715 -0.830 397 H TRP 58 H TRP 58 -13.343 -8.311 2.757 398 HA TRP 58 HA TRP 58 -15.256 -6.320 1.725 399 HB2 TRP 58 HB2 TRP 58 -15.615 -8.589 3.546 400 HB3 TRP 58 HB3 TRP 58 -16.293 -7.083 4.154 401 HD1 TRP 58 HD1 TRP 58 -17.317 -9.900 2.153 402 HE1 TRP 58 HE1 TRP 58 -19.286 -9.334 0.588 403 HE3 TRP 58 HE3 TRP 58 -16.893 -4.830 2.151 404 HZ2 TRP 58 HZ2 TRP 58 -20.352 -6.952 -0.709 405 HZ3 TRP 58 HZ3 TRP 58 -18.028 -3.522 0.374 406 HH2 TRP 58 HH2 TRP 58 -19.511 -4.667 -1.251 407 H LYS 59 H LYS 59 -12.879 -7.064 4.190 408 HA LYS 59 HA LYS 59 -13.544 -5.026 6.026 409 HB2 LYS 59 HB2 LYS 59 -12.230 -7.007 6.577 410 HB3 LYS 59 HB3 LYS 59 -10.897 -6.420 5.587 411 HG2 LYS 59 HG2 LYS 59 -10.643 -4.468 7.033 412 HG3 LYS 59 HG3 LYS 59 -12.046 -4.979 7.989 413 HD2 LYS 59 HD2 LYS 59 -10.860 -7.082 8.540 414 HD3 LYS 59 HD3 LYS 59 -9.467 -6.526 7.609 415 HE2 LYS 59 HE2 LYS 59 -10.601 -5.046 9.995 416 HE3 LYS 59 HE3 LYS 59 -9.233 -6.160 10.074 417 HZ1 LYS 59 HZ1 LYS 59 -7.973 -4.812 8.644 418 HZ2 LYS 59 HZ2 LYS 59 -8.643 -3.757 9.798 419 HZ3 LYS 59 HZ3 LYS 59 -9.316 -3.852 8.239 420 H ARG 60 H ARG 60 -11.338 -5.138 3.305 421 HA ARG 60 HA ARG 60 -10.410 -2.405 3.807 422 HB2 ARG 60 HB2 ARG 60 -9.445 -4.598 1.975 423 HB3 ARG 60 HB3 ARG 60 -8.739 -2.985 2.005 424 HG2 ARG 60 HG2 ARG 60 -8.924 -4.852 4.387 425 HG3 ARG 60 HG3 ARG 60 -7.480 -4.626 3.401 426 HD2 ARG 60 HD2 ARG 60 -7.444 -2.232 3.975 427 HD3 ARG 60 HD3 ARG 60 -8.863 -2.475 4.991 428 HE ARG 60 HE ARG 60 -6.449 -4.059 5.528 429 HH11 ARG 60 HH11 ARG 60 -8.569 -1.421 6.481 430 HH12 ARG 60 HH12 ARG 60 -7.695 -1.149 7.924 431 HH21 ARG 60 HH21 ARG 60 -5.735 -3.888 7.773 432 HH22 ARG 60 HH22 ARG 60 -5.989 -2.340 8.488 433 H ARG 61 H ARG 61 -12.911 -3.742 2.155 434 HA ARG 61 HA ARG 61 -12.667 -1.856 -0.124 435 HB2 ARG 61 HB2 ARG 61 -13.854 -4.639 -0.089 436 HB3 ARG 61 HB3 ARG 61 -14.062 -3.484 -1.405 437 HG2 ARG 61 HG2 ARG 61 -11.636 -3.353 -1.709 438 HG3 ARG 61 HG3 ARG 61 -11.401 -4.489 -0.378 439 HD2 ARG 61 HD2 ARG 61 -12.671 -6.195 -1.646 440 HD3 ARG 61 HD3 ARG 61 -12.863 -5.049 -2.971 441 HE ARG 61 HE ARG 61 -10.113 -5.398 -2.225 442 HH11 ARG 61 HH11 ARG 61 -12.721 -6.857 -3.958 443 HH12 ARG 61 HH12 ARG 61 -11.692 -7.715 -5.034 444 HH21 ARG 61 HH21 ARG 61 -8.805 -6.810 -3.435 445 HH22 ARG 61 HH22 ARG 61 -9.417 -7.465 -4.894 446 H TYR 62 H TYR 62 -13.950 -1.243 2.477 447 HA TYR 62 HA TYR 62 -16.569 -0.585 1.320 448 HB2 TYR 62 HB2 TYR 62 -17.781 -1.494 3.058 449 HB3 TYR 62 HB3 TYR 62 -16.520 -2.700 2.803 450 HD1 TYR 62 HD1 TYR 62 -14.347 -2.449 4.331 451 HD2 TYR 62 HD2 TYR 62 -18.233 -0.849 5.180 452 HE1 TYR 62 HE1 TYR 62 -13.792 -2.287 6.718 453 HE2 TYR 62 HE2 TYR 62 -17.585 -0.562 7.560 454 HH TYR 62 HH TYR 62 -16.282 -1.634 9.158 455 H CYS 63 H CYS 63 -17.779 1.068 2.477 456 HA CYS 63 HA CYS 63 -16.115 3.140 3.555 457 HB2 CYS 63 HB2 CYS 63 -18.374 3.259 2.121 458 HB3 CYS 63 HB3 CYS 63 -19.085 3.303 3.733 459 H LYS 64 H LYS 64 -16.237 4.078 5.597 460 HA LYS 64 HA LYS 64 -16.420 2.331 7.745 461 HB2 LYS 64 HB2 LYS 64 -16.433 5.352 7.670 462 HB3 LYS 64 HB3 LYS 64 -16.350 4.434 9.168 463 HG2 LYS 64 HG2 LYS 64 -14.286 3.321 8.361 464 HG3 LYS 64 HG3 LYS 64 -14.365 4.256 6.870 465 HD2 LYS 64 HD2 LYS 64 -14.226 6.358 8.172 466 HD3 LYS 64 HD3 LYS 64 -14.164 5.428 9.664 467 HE2 LYS 64 HE2 LYS 64 -12.064 4.357 8.901 468 HE3 LYS 64 HE3 LYS 64 -12.142 5.299 7.413 469 HZ1 LYS 64 HZ1 LYS 64 -11.029 6.855 8.496 470 HZ2 LYS 64 HZ2 LYS 64 -11.237 6.102 10.002 471 HZ3 LYS 64 HZ3 LYS 64 -12.437 7.142 9.397 472 H LYS 65 H LYS 65 -18.869 4.648 6.561 473 HA LYS 65 HA LYS 65 -20.699 3.444 8.533 474 HB2 LYS 65 HB2 LYS 65 -21.859 5.497 8.827 475 HB3 LYS 65 HB3 LYS 65 -20.158 5.722 9.203 476 HG2 LYS 65 HG2 LYS 65 -19.842 6.767 6.937 477 HG3 LYS 65 HG3 LYS 65 -21.581 6.582 6.665 478 HD2 LYS 65 HD2 LYS 65 -22.052 7.937 8.652 479 HD3 LYS 65 HD3 LYS 65 -20.321 8.128 8.948 480 HE2 LYS 65 HE2 LYS 65 -20.088 9.294 6.798 481 HE3 LYS 65 HE3 LYS 65 -21.826 9.113 6.514 482 HZ1 LYS 65 HZ1 LYS 65 -22.277 10.812 7.860 483 HZ2 LYS 65 HZ2 LYS 65 -20.621 11.175 7.815 484 HZ3 LYS 65 HZ3 LYS 65 -21.246 10.222 9.075 485 H CYS 66 H CYS 66 -20.304 4.168 5.186 486 HA CYS 66 HA CYS 66 -23.101 3.954 4.518 487 HB2 CYS 66 HB2 CYS 66 -20.699 3.594 2.717 488 HB3 CYS 66 HB3 CYS 66 -22.385 3.779 2.228 489 H HIS 67 H HIS 67 -20.418 1.775 4.909 490 HA HIS 67 HA HIS 67 -20.228 -0.516 4.777 491 HB2 HIS 67 HB2 HIS 67 -23.249 -0.328 5.033 492 HB3 HIS 67 HB3 HIS 67 -22.326 -1.815 5.181 493 HD1 HIS 67 HD1 HIS 67 -22.891 1.506 6.937 494 HD2 HIS 67 HD2 HIS 67 -21.104 -2.198 7.704 495 HE1 HIS 67 HE1 HIS 67 -22.554 1.299 9.462 496 HE2 HIS 67 HE2 HIS 67 -21.029 -0.681 9.824 497 H ALA 68 H ALA 68 -19.867 0.728 2.575 498 HA ALA 68 HA ALA 68 -21.392 -0.632 0.445 499 HB1 ALA 68 HB1 ALA 68 -20.455 2.205 0.119 500 HB2 ALA 68 HB2 ALA 68 -22.008 1.868 0.884 501 HB3 ALA 68 HB3 ALA 68 -21.704 1.341 -0.771 502 H PHE 69 H PHE 69 -20.147 -0.800 -1.593 503 HA PHE 69 HA PHE 69 -17.531 -1.776 -0.937 504 HB2 PHE 69 HB2 PHE 69 -19.253 -2.482 -2.838 505 HB3 PHE 69 HB3 PHE 69 -18.369 -1.280 -3.767 506 HD1 PHE 69 HD1 PHE 69 -15.683 -1.449 -3.409 507 HD2 PHE 69 HD2 PHE 69 -18.602 -4.571 -3.372 508 HE1 PHE 69 HE1 PHE 69 -13.994 -3.035 -4.291 509 HE2 PHE 69 HE2 PHE 69 -16.961 -6.139 -4.350 510 HZ PHE 69 HZ PHE 69 -14.685 -5.347 -4.895 511 H LEU 70 H LEU 70 -15.585 -0.693 -1.092 512 HA LEU 70 HA LEU 70 -15.713 2.073 -2.108 513 HB2 LEU 70 HB2 LEU 70 -14.237 0.820 0.080 514 HB3 LEU 70 HB3 LEU 70 -13.186 1.717 -1.003 515 HG LEU 70 HG LEU 70 -14.125 3.090 0.877 516 HD11 LEU 70 HD11 LEU 70 -14.071 4.958 -0.427 517 HD12 LEU 70 HD12 LEU 70 -15.242 4.319 -1.576 518 HD13 LEU 70 HD13 LEU 70 -13.560 3.807 -1.660 519 HD21 LEU 70 HD21 LEU 70 -16.500 1.903 0.456 520 HD22 LEU 70 HD22 LEU 70 -16.723 3.342 -0.547 521 HD23 LEU 70 HD23 LEU 70 -16.344 3.517 1.160 522 H VAL 71 H VAL 71 -15.489 2.028 -4.185 523 HA VAL 71 HA VAL 71 -12.716 1.579 -5.032 524 HB VAL 71 HB VAL 71 -14.992 1.277 -6.976 525 HG11 VAL 71 HG11 VAL 71 -13.266 0.063 -8.252 526 HG12 VAL 71 HG12 VAL 71 -12.112 0.327 -6.942 527 HG13 VAL 71 HG13 VAL 71 -12.734 1.701 -7.859 528 HG21 VAL 71 HG21 VAL 71 -14.781 -1.164 -6.775 529 HG22 VAL 71 HG22 VAL 71 -15.283 -0.479 -5.237 530 HG23 VAL 71 HG23 VAL 71 -13.605 -0.968 -5.473 531 HA PRO 72 HA PRO 72 -13.393 5.971 -6.122 532 HB2 PRO 72 HB2 PRO 72 -10.990 5.666 -7.825 533 HB3 PRO 72 HB3 PRO 72 -11.329 6.824 -6.533 534 HG2 PRO 72 HG2 PRO 72 -9.605 4.763 -6.242 535 HG3 PRO 72 HG3 PRO 72 -10.530 5.462 -4.909 536 HD2 PRO 72 HD2 PRO 72 -10.949 2.867 -6.336 537 HD3 PRO 72 HD3 PRO 72 -11.320 3.302 -4.653 538 H GLY 73 H GLY 73 -14.386 6.906 -7.759 539 HA2 GLY 73 HA2 GLY 73 -14.885 7.422 -9.989 540 HA3 GLY 73 HA3 GLY 73 -14.281 5.846 -10.485 541 H ILE 74 H ILE 74 -16.161 5.029 -7.942 542 HA ILE 74 HA ILE 74 -18.338 4.426 -9.849 543 HB ILE 74 HB ILE 74 -17.124 2.640 -7.742 544 HG12 ILE 74 HG12 ILE 74 -17.412 2.280 -10.744 545 HG13 ILE 74 HG13 ILE 74 -15.976 2.933 -9.973 546 HG21 ILE 74 HG21 ILE 74 -18.931 1.084 -9.050 547 HG22 ILE 74 HG22 ILE 74 -19.774 2.631 -9.047 548 HG23 ILE 74 HG23 ILE 74 -19.269 1.909 -7.530 549 HD11 ILE 74 HD11 ILE 74 -17.034 0.282 -9.025 550 HD12 ILE 74 HD12 ILE 74 -15.395 0.940 -8.964 551 HD13 ILE 74 HD13 ILE 74 -16.061 0.378 -10.492 552 H ASN 75 H ASN 75 -18.067 3.936 -6.307 553 HA ASN 75 HA ASN 75 -20.602 5.419 -5.991 554 HB2 ASN 75 HB2 ASN 75 -20.791 4.381 -3.821 555 HB3 ASN 75 HB3 ASN 75 -20.428 3.133 -5.006 556 HD21 ASN 75 HD21 ASN 75 -19.709 3.915 -1.929 557 HD22 ASN 75 HD22 ASN 75 -18.679 2.573 -1.974 558 H ALA 76 H ALA 76 -17.493 6.021 -6.062 559 HA ALA 76 HA ALA 76 -17.354 8.125 -4.106 560 HB1 ALA 76 HB1 ALA 76 -15.664 7.196 -2.695 561 HB2 ALA 76 HB2 ALA 76 -15.443 5.808 -3.749 562 HB3 ALA 76 HB3 ALA 76 -16.922 5.969 -2.813 563 H ARG 77 H ARG 77 -15.529 9.478 -4.543 564 HA ARG 77 HA ARG 77 -13.891 8.686 -6.865 565 HB2 ARG 77 HB2 ARG 77 -15.767 10.252 -7.452 566 HB3 ARG 77 HB3 ARG 77 -14.989 11.469 -6.444 567 HG2 ARG 77 HG2 ARG 77 -12.944 11.276 -7.813 568 HG3 ARG 77 HG3 ARG 77 -13.696 10.023 -8.789 569 HD2 ARG 77 HD2 ARG 77 -13.865 12.130 -9.963 570 HD3 ARG 77 HD3 ARG 77 -15.471 11.646 -9.472 571 HE ARG 77 HE ARG 77 -15.532 13.449 -8.000 572 HH11 ARG 77 HH11 ARG 77 -12.156 12.889 -8.865 573 HH12 ARG 77 HH12 ARG 77 -11.868 14.571 -9.106 574 HH21 ARG 77 HH21 ARG 77 -14.734 15.528 -7.462 575 HH22 ARG 77 HH22 ARG 77 -13.113 15.943 -7.862 576 H VAL 78 H VAL 78 -11.805 9.496 -6.937 577 HA VAL 78 HA VAL 78 -10.790 10.558 -4.381 578 HB VAL 78 HB VAL 78 -10.410 8.080 -4.733 579 HG11 VAL 78 HG11 VAL 78 -8.897 7.325 -6.392 580 HG12 VAL 78 HG12 VAL 78 -8.345 8.960 -6.753 581 HG13 VAL 78 HG13 VAL 78 -9.954 8.446 -7.250 582 HG21 VAL 78 HG21 VAL 78 -7.746 9.444 -4.737 583 HG22 VAL 78 HG22 VAL 78 -8.356 8.181 -3.679 584 HG23 VAL 78 HG23 VAL 78 -8.893 9.851 -3.459 585 H ARG 79 H ARG 79 -9.434 12.176 -4.530 586 HA ARG 79 HA ARG 79 -8.420 12.986 -7.195 587 HB2 ARG 79 HB2 ARG 79 -9.848 14.700 -6.079 588 HB3 ARG 79 HB3 ARG 79 -8.731 14.697 -4.713 589 HG2 ARG 79 HG2 ARG 79 -6.896 15.361 -6.240 590 HG3 ARG 79 HG3 ARG 79 -8.040 15.432 -7.573 591 HD2 ARG 79 HD2 ARG 79 -8.246 17.060 -5.017 592 HD3 ARG 79 HD3 ARG 79 -7.612 17.659 -6.545 593 HE ARG 79 HE ARG 79 -10.384 17.176 -5.848 594 HH11 ARG 79 HH11 ARG 79 -8.098 17.458 -8.487 595 HH12 ARG 79 HH12 ARG 79 -9.346 17.718 -9.652 596 HH21 ARG 79 HH21 ARG 79 -11.731 18.387 -7.207 597 HH22 ARG 79 HH22 ARG 79 -11.364 18.515 -8.884 598 H LEU 80 H LEU 80 -6.287 12.882 -7.465 599 HA LEU 80 HA LEU 80 -4.631 12.113 -5.134 600 HB2 LEU 80 HB2 LEU 80 -4.053 11.854 -8.102 601 HB3 LEU 80 HB3 LEU 80 -3.108 11.172 -6.786 602 HG LEU 80 HG LEU 80 -5.354 10.000 -6.113 603 HD11 LEU 80 HD11 LEU 80 -7.089 10.564 -7.427 604 HD12 LEU 80 HD12 LEU 80 -6.346 9.568 -8.680 605 HD13 LEU 80 HD13 LEU 80 -6.040 11.304 -8.635 606 HD21 LEU 80 HD21 LEU 80 -3.909 9.111 -8.626 607 HD22 LEU 80 HD22 LEU 80 -4.817 8.085 -7.523 608 HD23 LEU 80 HD23 LEU 80 -3.322 8.842 -6.985 609 H ARG 81 H ARG 81 -3.382 13.656 -4.310 610 HA ARG 81 HA ARG 81 -2.649 15.953 -6.016 611 HB2 ARG 81 HB2 ARG 81 -2.970 15.762 -3.008 612 HB3 ARG 81 HB3 ARG 81 -2.323 17.164 -3.861 613 HG2 ARG 81 HG2 ARG 81 -4.397 17.402 -5.137 614 HG3 ARG 81 HG3 ARG 81 -5.055 15.955 -4.382 615 HD2 ARG 81 HD2 ARG 81 -4.942 17.079 -2.183 616 HD3 ARG 81 HD3 ARG 81 -4.317 18.531 -2.958 617 HE ARG 81 HE ARG 81 -6.744 17.755 -4.198 618 HH11 ARG 81 HH11 ARG 81 -5.578 19.181 -1.213 619 HH12 ARG 81 HH12 ARG 81 -6.757 20.427 -1.257 620 HH21 ARG 81 HH21 ARG 81 -8.354 19.419 -4.059 621 HH22 ARG 81 HH22 ARG 81 -8.674 19.983 -2.453 622 H GLN 82 H GLN 82 -0.654 16.623 -6.228 623 HA GLN 82 HA GLN 82 1.517 14.985 -5.037 624 HB2 GLN 82 HB2 GLN 82 1.309 16.296 -7.743 625 HB3 GLN 82 HB3 GLN 82 2.805 15.609 -7.097 626 HG2 GLN 82 HG2 GLN 82 1.680 13.409 -6.872 627 HG3 GLN 82 HG3 GLN 82 0.193 14.109 -7.507 628 HE21 GLN 82 HE21 GLN 82 0.613 12.236 -9.126 629 HE22 GLN 82 HE22 GLN 82 1.452 12.677 -10.528 630 H LYS 83 H LYS 83 2.045 16.009 -3.438 631 HA LYS 83 HA LYS 83 3.619 18.495 -3.724 632 HB2 LYS 83 HB2 LYS 83 1.961 17.543 -1.350 633 HB3 LYS 83 HB3 LYS 83 3.093 18.890 -1.298 634 HG2 LYS 83 HG2 LYS 83 1.794 20.074 -3.019 635 HG3 LYS 83 HG3 LYS 83 0.661 18.729 -3.113 636 HD2 LYS 83 HD2 LYS 83 0.095 19.053 -0.719 637 HD3 LYS 83 HD3 LYS 83 1.205 20.427 -0.663 638 HE2 LYS 83 HE2 LYS 83 -0.113 21.581 -2.382 639 HE3 LYS 83 HE3 LYS 83 -1.215 20.202 -2.465 640 HZ1 LYS 83 HZ1 LYS 83 -1.680 22.269 -0.908 641 HZ2 LYS 83 HZ2 LYS 83 -0.716 21.363 0.157 642 HZ3 LYS 83 HZ3 LYS 83 -2.144 20.692 -0.482 643 H ARG 84 H ARG 84 5.446 18.177 -1.745 644 HA ARG 84 HA ARG 84 6.288 15.329 -2.025 645 HB2 ARG 84 HB2 ARG 84 7.541 17.740 -0.648 646 HB3 ARG 84 HB3 ARG 84 8.267 16.140 -0.774 647 HG2 ARG 84 HG2 ARG 84 8.500 16.377 -3.190 648 HG3 ARG 84 HG3 ARG 84 7.635 17.912 -3.152 649 HD2 ARG 84 HD2 ARG 84 10.012 18.383 -3.236 650 HD3 ARG 84 HD3 ARG 84 9.406 18.817 -1.647 651 HE ARG 84 HE ARG 84 10.390 16.169 -1.564 652 HH11 ARG 84 HH11 ARG 84 11.421 19.470 -1.704 653 HH12 ARG 84 HH12 ARG 84 12.858 19.190 -0.780 654 HH21 ARG 84 HH21 ARG 84 12.356 15.786 -0.518 655 HH22 ARG 84 HH22 ARG 84 13.261 17.152 0.045 656 H MET 85 H MET 85 3.830 15.978 -0.723 657 HA MET 85 HA MET 85 4.582 13.855 1.123 658 HB2 MET 85 HB2 MET 85 3.787 16.256 2.156 659 HB3 MET 85 HB3 MET 85 2.215 15.553 1.849 660 HG2 MET 85 HG2 MET 85 2.800 14.939 4.082 661 HG3 MET 85 HG3 MET 85 3.056 13.479 3.128 662 HE1 MET 85 HE1 MET 85 4.166 14.650 6.010 663 HE2 MET 85 HE2 MET 85 4.623 16.222 5.360 664 HE3 MET 85 HE3 MET 85 5.857 15.141 6.005 665 HA PRO 86 HA PRO 86 1.489 12.625 -2.078 666 HB2 PRO 86 HB2 PRO 86 1.510 9.940 -0.795 667 HB3 PRO 86 HB3 PRO 86 1.762 10.380 -2.490 668 HG2 PRO 86 HG2 PRO 86 3.754 9.565 -0.900 669 HG3 PRO 86 HG3 PRO 86 3.996 10.721 -2.214 670 HD2 PRO 86 HD2 PRO 86 3.888 11.218 0.727 671 HD3 PRO 86 HD3 PRO 86 4.813 12.077 -0.530 672 H HIS 87 H HIS 87 -0.697 12.835 -1.917 673 HA HIS 87 HA HIS 87 -2.128 11.675 0.355 674 HB2 HIS 87 HB2 HIS 87 -2.339 14.592 -0.411 675 HB3 HIS 87 HB3 HIS 87 -3.425 13.775 0.714 676 HD1 HIS 87 HD1 HIS 87 -2.189 12.592 2.818 677 HD2 HIS 87 HD2 HIS 87 -0.049 15.612 0.860 678 HE1 HIS 87 HE1 HIS 87 -0.204 13.195 4.303 679 HE2 HIS 87 HE2 HIS 87 0.813 15.300 3.317 680 H ILE 88 H ILE 88 -4.151 10.992 -0.128 681 HA ILE 88 HA ILE 88 -5.374 11.956 -2.632 682 HB ILE 88 HB ILE 88 -6.437 9.782 -2.977 683 HG12 ILE 88 HG12 ILE 88 -4.656 8.779 -0.738 684 HG13 ILE 88 HG13 ILE 88 -6.368 9.121 -0.527 685 HG21 ILE 88 HG21 ILE 88 -3.424 9.776 -2.690 686 HG22 ILE 88 HG22 ILE 88 -4.343 10.255 -4.116 687 HG23 ILE 88 HG23 ILE 88 -4.322 8.571 -3.607 688 HD11 ILE 88 HD11 ILE 88 -5.461 7.281 -2.739 689 HD12 ILE 88 HD12 ILE 88 -7.028 7.360 -1.940 690 HD13 ILE 88 HD13 ILE 88 -5.631 6.686 -1.092 691 H VAL 89 H VAL 89 -7.555 12.483 -2.524 692 HA VAL 89 HA VAL 89 -8.870 12.084 0.100 693 HB VAL 89 HB VAL 89 -10.236 14.122 -0.494 694 HG11 VAL 89 HG11 VAL 89 -7.732 15.442 -0.296 695 HG12 VAL 89 HG12 VAL 89 -7.577 13.920 0.573 696 HG13 VAL 89 HG13 VAL 89 -8.858 15.058 1.000 697 HG21 VAL 89 HG21 VAL 89 -9.496 15.632 -2.147 698 HG22 VAL 89 HG22 VAL 89 -9.489 14.061 -2.949 699 HG23 VAL 89 HG23 VAL 89 -7.974 14.769 -2.380 700 H VAL 90 H VAL 90 -10.836 11.142 0.129 701 HA VAL 90 HA VAL 90 -11.927 10.170 -2.461 702 HB VAL 90 HB VAL 90 -11.565 8.724 0.173 703 HG11 VAL 90 HG11 VAL 90 -13.359 8.131 -2.161 704 HG12 VAL 90 HG12 VAL 90 -13.638 7.893 -0.436 705 HG13 VAL 90 HG13 VAL 90 -12.589 6.791 -1.315 706 HG21 VAL 90 HG21 VAL 90 -10.359 7.096 -1.392 707 HG22 VAL 90 HG22 VAL 90 -9.577 8.653 -1.126 708 HG23 VAL 90 HG23 VAL 90 -10.468 8.355 -2.620 709 H LYS 91 H LYS 91 -13.989 10.580 -2.735 710 HA LYS 91 HA LYS 91 -15.617 11.321 -0.374 711 HB2 LYS 91 HB2 LYS 91 -17.106 12.247 -2.458 712 HB3 LYS 91 HB3 LYS 91 -16.051 13.241 -1.476 713 HG2 LYS 91 HG2 LYS 91 -15.241 11.948 -4.087 714 HG3 LYS 91 HG3 LYS 91 -15.813 13.602 -3.922 715 HD2 LYS 91 HD2 LYS 91 -13.892 14.158 -2.512 716 HD3 LYS 91 HD3 LYS 91 -13.285 12.510 -2.643 717 HE2 LYS 91 HE2 LYS 91 -13.085 12.788 -5.100 718 HE3 LYS 91 HE3 LYS 91 -13.668 14.443 -4.942 719 HZ1 LYS 91 HZ1 LYS 91 -11.813 14.988 -3.558 720 HZ2 LYS 91 HZ2 LYS 91 -11.204 14.234 -4.950 721 HZ3 LYS 91 HZ3 LYS 91 -11.302 13.372 -3.492 722 H CYS 92 H CYS 92 -17.268 9.875 0.021 723 HA CYS 92 HA CYS 92 -17.951 8.025 -2.193 724 HB2 CYS 92 HB2 CYS 92 -17.061 6.505 -0.727 725 HB3 CYS 92 HB3 CYS 92 -17.492 7.457 0.680 726 H LEU 93 H LEU 93 -20.008 7.954 -2.769 727 HA LEU 93 HA LEU 93 -21.403 10.347 -2.262 728 HB2 LEU 93 HB2 LEU 93 -22.112 7.901 -3.896 729 HB3 LEU 93 HB3 LEU 93 -23.139 9.330 -3.808 730 HG LEU 93 HG LEU 93 -20.199 9.497 -4.516 731 HD11 LEU 93 HD11 LEU 93 -20.908 8.279 -6.365 732 HD12 LEU 93 HD12 LEU 93 -21.265 9.915 -6.887 733 HD13 LEU 93 HD13 LEU 93 -22.557 8.893 -6.276 734 HD21 LEU 93 HD21 LEU 93 -22.063 11.421 -3.807 735 HD22 LEU 93 HD22 LEU 93 -22.138 11.445 -5.565 736 HD23 LEU 93 HD23 LEU 93 -20.597 11.713 -4.749 737 H GLU 94 H GLU 94 -21.871 7.031 -1.146 738 HA GLU 94 HA GLU 94 -24.531 7.407 -0.305 739 HB2 GLU 94 HB2 GLU 94 -22.967 5.500 1.293 740 HB3 GLU 94 HB3 GLU 94 -24.475 5.275 0.424 741 HG2 GLU 94 HG2 GLU 94 -21.665 5.128 -0.685 742 HG3 GLU 94 HG3 GLU 94 -22.868 3.856 -0.600 743 H CYS 95 H CYS 95 -21.432 7.899 1.354 744 HA CYS 95 HA CYS 95 -22.774 8.817 3.782 745 HB2 CYS 95 HB2 CYS 95 -20.463 9.734 4.377 746 HB3 CYS 95 HB3 CYS 95 -20.698 7.994 4.419 747 H GLY 96 H GLY 96 -21.416 10.084 0.810 748 HA2 GLY 96 HA2 GLY 96 -21.597 12.184 -0.120 749 HA3 GLY 96 HA3 GLY 96 -22.573 12.673 1.259 750 H HIS 97 H HIS 97 -19.509 11.213 1.939 751 HA HIS 97 HA HIS 97 -18.537 13.829 2.882 752 HB2 HIS 97 HB2 HIS 97 -18.459 11.232 4.419 753 HB3 HIS 97 HB3 HIS 97 -17.531 12.671 4.842 754 HD1 HIS 97 HD1 HIS 97 -19.006 14.939 5.190 755 HD2 HIS 97 HD2 HIS 97 -21.042 11.288 5.587 756 HE1 HIS 97 HE1 HIS 97 -21.279 15.394 6.215 757 HE2 HIS 97 HE2 HIS 97 -22.705 13.338 5.599 758 H ILE 98 H ILE 98 -16.384 14.200 2.986 759 HA ILE 98 HA ILE 98 -14.739 12.631 1.151 760 HB ILE 98 HB ILE 98 -14.943 15.035 0.776 761 HG12 ILE 98 HG12 ILE 98 -12.557 15.611 0.666 762 HG13 ILE 98 HG13 ILE 98 -12.173 14.259 1.727 763 HG21 ILE 98 HG21 ILE 98 -13.523 15.404 3.426 764 HG22 ILE 98 HG22 ILE 98 -15.251 15.640 3.204 765 HG23 ILE 98 HG23 ILE 98 -14.108 16.660 2.335 766 HD11 ILE 98 HD11 ILE 98 -13.773 13.396 -0.549 767 HD12 ILE 98 HD12 ILE 98 -12.199 12.824 -0.001 768 HD13 ILE 98 HD13 ILE 98 -12.304 14.221 -1.070 769 H MET 99 H MET 99 -13.194 11.427 1.693 770 HA MET 99 HA MET 99 -12.211 11.326 4.472 771 HB2 MET 99 HB2 MET 99 -12.471 9.189 2.339 772 HB3 MET 99 HB3 MET 99 -11.647 8.942 3.877 773 HG2 MET 99 HG2 MET 99 -13.733 9.450 5.084 774 HG3 MET 99 HG3 MET 99 -14.544 9.774 3.553 775 HE1 MET 99 HE1 MET 99 -11.946 6.705 4.417 776 HE2 MET 99 HE2 MET 99 -13.180 5.767 5.263 777 HE3 MET 99 HE3 MET 99 -12.779 7.393 5.813 778 H ARG 100 H ARG 100 -10.000 11.432 4.791 779 HA ARG 100 HA ARG 100 -8.296 11.872 2.415 780 HB2 ARG 100 HB2 ARG 100 -7.924 12.616 5.334 781 HB3 ARG 100 HB3 ARG 100 -6.697 12.823 4.080 782 HG2 ARG 100 HG2 ARG 100 -8.164 14.288 2.815 783 HG3 ARG 100 HG3 ARG 100 -9.475 14.030 3.973 784 HD2 ARG 100 HD2 ARG 100 -8.100 15.052 5.729 785 HD3 ARG 100 HD3 ARG 100 -6.810 15.333 4.557 786 HE ARG 100 HE ARG 100 -9.088 16.497 3.481 787 HH11 ARG 100 HH11 ARG 100 -7.101 16.849 6.275 788 HH12 ARG 100 HH12 ARG 100 -7.385 18.535 6.465 789 HH21 ARG 100 HH21 ARG 100 -9.708 18.690 3.911 790 HH22 ARG 100 HH22 ARG 100 -8.794 19.589 5.070 791 H TYR 101 H TYR 101 -6.775 10.446 1.933 792 HA TYR 101 HA TYR 101 -5.912 8.503 3.991 793 HB2 TYR 101 HB2 TYR 101 -7.319 7.634 2.011 794 HB3 TYR 101 HB3 TYR 101 -5.870 7.915 1.046 795 HD1 TYR 101 HD1 TYR 101 -3.711 6.717 1.680 796 HD2 TYR 101 HD2 TYR 101 -7.525 5.767 3.418 797 HE1 TYR 101 HE1 TYR 101 -2.783 4.591 2.562 798 HE2 TYR 101 HE2 TYR 101 -6.610 3.630 4.252 799 HH TYR 101 HH TYR 101 -3.433 2.506 3.436 800 HA PRO 102 HA PRO 102 -2.063 10.778 2.920 801 HB2 PRO 102 HB2 PRO 102 -1.201 9.389 5.400 802 HB3 PRO 102 HB3 PRO 102 -1.092 11.110 4.990 803 HG2 PRO 102 HG2 PRO 102 -2.825 10.195 6.805 804 HG3 PRO 102 HG3 PRO 102 -3.230 11.546 5.727 805 HD2 PRO 102 HD2 PRO 102 -4.059 8.643 5.537 806 HD3 PRO 102 HD3 PRO 102 -5.023 10.110 5.242 807 H TYR 103 H TYR 103 -0.299 9.936 1.893 808 HA TYR 103 HA TYR 103 0.409 7.130 2.331 809 HB2 TYR 103 HB2 TYR 103 -1.088 7.174 0.392 810 HB3 TYR 103 HB3 TYR 103 -0.046 8.347 -0.410 811 HD1 TYR 103 HD1 TYR 103 -0.333 4.886 0.872 812 HD2 TYR 103 HD2 TYR 103 1.852 7.581 -1.675 813 HE1 TYR 103 HE1 TYR 103 1.011 2.991 0.020 814 HE2 TYR 103 HE2 TYR 103 3.015 5.644 -2.686 815 HH TYR 103 HH TYR 103 3.897 3.546 -1.776 816 H ILE 104 H ILE 104 2.657 6.671 1.749 817 HA ILE 104 HA ILE 104 4.323 9.040 1.216 818 HB ILE 104 HB ILE 104 4.189 8.395 3.671 819 HG12 ILE 104 HG12 ILE 104 5.926 9.861 2.766 820 HG13 ILE 104 HG13 ILE 104 6.521 8.856 4.079 821 HG21 ILE 104 HG21 ILE 104 4.373 5.917 3.222 822 HG22 ILE 104 HG22 ILE 104 5.407 6.553 4.497 823 HG23 ILE 104 HG23 ILE 104 6.094 6.188 2.917 824 HD11 ILE 104 HD11 ILE 104 7.191 7.271 2.000 825 HD12 ILE 104 HD12 ILE 104 8.250 8.525 2.641 826 HD13 ILE 104 HD13 ILE 104 7.265 8.846 1.215 827 H LYS 105 H LYS 105 5.727 8.710 -0.391 828 HA LYS 105 HA LYS 105 7.076 7.757 -1.933 829 HB2 LYS 105 HB2 LYS 105 8.242 6.867 0.046 830 HB3 LYS 105 HB3 LYS 105 7.221 5.443 0.019 831 HG2 LYS 105 HG2 LYS 105 8.094 4.843 -2.212 832 HG3 LYS 105 HG3 LYS 105 9.060 6.306 -2.249 833 HD2 LYS 105 HD2 LYS 105 10.299 5.514 -0.215 834 HD3 LYS 105 HD3 LYS 105 9.349 4.036 -0.233 835 HE2 LYS 105 HE2 LYS 105 11.125 4.976 -2.501 836 HE3 LYS 105 HE3 LYS 105 11.551 3.728 -1.329 837 HZ1 LYS 105 HZ1 LYS 105 10.689 2.728 -3.337 838 HZ2 LYS 105 HZ2 LYS 105 9.291 3.685 -3.245 839 HZ3 LYS 105 HZ3 LYS 105 9.578 2.492 -2.073 Start of MODEL 2 1 H LYS 15 H LYS 15 -19.010 -18.095 4.012 2 HA LYS 15 HA LYS 15 -17.582 -18.217 2.330 3 HB2 LYS 15 HB2 LYS 15 -17.526 -20.443 3.414 4 HB3 LYS 15 HB3 LYS 15 -18.677 -21.047 2.226 5 HG2 LYS 15 HG2 LYS 15 -17.089 -20.569 0.424 6 HG3 LYS 15 HG3 LYS 15 -15.942 -19.887 1.580 7 HD2 LYS 15 HD2 LYS 15 -15.834 -22.092 2.729 8 HD3 LYS 15 HD3 LYS 15 -16.957 -22.751 1.540 9 HE2 LYS 15 HE2 LYS 15 -15.345 -22.290 -0.259 10 HE3 LYS 15 HE3 LYS 15 -14.221 -21.602 0.912 11 HZ1 LYS 15 HZ1 LYS 15 -15.047 -24.400 0.538 12 HZ2 LYS 15 HZ2 LYS 15 -14.525 -23.883 2.069 13 HZ3 LYS 15 HZ3 LYS 15 -13.489 -23.761 0.728 14 H GLU 16 H GLU 16 -19.730 -20.565 0.811 15 HA GLU 16 HA GLU 16 -19.566 -19.388 -1.711 16 HB2 GLU 16 HB2 GLU 16 -21.257 -20.949 -2.435 17 HB3 GLU 16 HB3 GLU 16 -20.165 -21.761 -1.321 18 HG2 GLU 16 HG2 GLU 16 -21.785 -21.415 0.511 19 HG3 GLU 16 HG3 GLU 16 -22.893 -20.636 -0.620 20 H ARG 17 H ARG 17 -22.115 -19.096 0.746 21 HA ARG 17 HA ARG 17 -23.883 -17.562 -0.801 22 HB2 ARG 17 HB2 ARG 17 -24.433 -18.616 1.373 23 HB3 ARG 17 HB3 ARG 17 -23.394 -17.449 2.188 24 HG2 ARG 17 HG2 ARG 17 -24.837 -15.605 1.348 25 HG3 ARG 17 HG3 ARG 17 -25.865 -16.802 0.554 26 HD2 ARG 17 HD2 ARG 17 -26.375 -17.830 2.711 27 HD3 ARG 17 HD3 ARG 17 -25.337 -16.658 3.526 28 HE ARG 17 HE ARG 17 -26.941 -14.976 3.134 29 HH11 ARG 17 HH11 ARG 17 -27.695 -17.857 1.363 30 HH12 ARG 17 HH12 ARG 17 -29.253 -17.278 0.887 31 HH21 ARG 17 HH21 ARG 17 -28.977 -14.274 2.409 32 HH22 ARG 17 HH22 ARG 17 -30.141 -15.463 1.930 33 H ILE 18 H ILE 18 -21.326 -16.478 1.434 34 HA ILE 18 HA ILE 18 -21.830 -13.744 1.030 35 HB ILE 18 HB ILE 18 -20.787 -14.681 3.023 36 HG12 ILE 18 HG12 ILE 18 -18.949 -12.663 1.729 37 HG13 ILE 18 HG13 ILE 18 -20.571 -12.258 2.288 38 HG21 ILE 18 HG21 ILE 18 -18.223 -14.992 2.830 39 HG22 ILE 18 HG22 ILE 18 -18.527 -15.248 1.116 40 HG23 ILE 18 HG23 ILE 18 -19.270 -16.309 2.313 41 HD11 ILE 18 HD11 ILE 18 -18.616 -13.656 4.111 42 HD12 ILE 18 HD12 ILE 18 -20.023 -12.684 4.541 43 HD13 ILE 18 HD13 ILE 18 -18.568 -11.905 3.920 44 H ASP 19 H ASP 19 -19.583 -15.905 -0.643 45 HA ASP 19 HA ASP 19 -18.097 -13.761 -1.815 46 HB2 ASP 19 HB2 ASP 19 -17.030 -15.471 -3.212 47 HB3 ASP 19 HB3 ASP 19 -16.984 -15.845 -1.500 48 H ILE 20 H ILE 20 -20.801 -15.740 -2.949 49 HA ILE 20 HA ILE 20 -21.087 -14.594 -5.481 50 HB ILE 20 HB ILE 20 -23.129 -15.681 -3.536 51 HG12 ILE 20 HG12 ILE 20 -21.446 -17.291 -4.346 52 HG13 ILE 20 HG13 ILE 20 -23.054 -17.678 -4.940 53 HG21 ILE 20 HG21 ILE 20 -24.564 -14.512 -4.886 54 HG22 ILE 20 HG22 ILE 20 -24.387 -15.962 -5.872 55 HG23 ILE 20 HG23 ILE 20 -23.460 -14.515 -6.262 56 HD11 ILE 20 HD11 ILE 20 -22.261 -16.183 -7.002 57 HD12 ILE 20 HD12 ILE 20 -21.826 -17.888 -6.893 58 HD13 ILE 20 HD13 ILE 20 -20.664 -16.649 -6.419 59 H LEU 21 H LEU 21 -22.377 -13.574 -2.365 60 HA LEU 21 HA LEU 21 -23.862 -11.355 -3.271 61 HB2 LEU 21 HB2 LEU 21 -24.179 -12.349 -1.048 62 HB3 LEU 21 HB3 LEU 21 -22.573 -11.811 -0.575 63 HG LEU 21 HG LEU 21 -23.227 -9.469 -0.856 64 HD11 LEU 21 HD11 LEU 21 -25.740 -10.712 -1.957 65 HD12 LEU 21 HD12 LEU 21 -24.796 -9.369 -2.599 66 HD13 LEU 21 HD13 LEU 21 -25.810 -9.133 -1.179 67 HD21 LEU 21 HD21 LEU 21 -24.822 -9.321 0.972 68 HD22 LEU 21 HD22 LEU 21 -23.716 -10.660 1.292 69 HD23 LEU 21 HD23 LEU 21 -25.346 -10.982 0.696 70 H PHE 22 H PHE 22 -20.534 -11.712 -2.204 71 HA PHE 22 HA PHE 22 -19.664 -9.068 -2.218 72 HB2 PHE 22 HB2 PHE 22 -18.366 -11.018 -1.397 73 HB3 PHE 22 HB3 PHE 22 -18.178 -11.579 -3.052 74 HD1 PHE 22 HD1 PHE 22 -17.179 -9.037 -0.613 75 HD2 PHE 22 HD2 PHE 22 -16.755 -10.319 -4.670 76 HE1 PHE 22 HE1 PHE 22 -15.236 -7.506 -0.948 77 HE2 PHE 22 HE2 PHE 22 -14.622 -9.081 -4.821 78 HZ PHE 22 HZ PHE 22 -13.650 -8.044 -2.783 79 H SER 23 H SER 23 -19.751 -11.445 -4.862 80 HA SER 23 HA SER 23 -18.794 -9.755 -6.935 81 HB2 SER 23 HB2 SER 23 -18.827 -12.061 -7.409 82 HB3 SER 23 HB3 SER 23 -20.508 -12.234 -6.910 83 HG SER 23 HG SER 23 -19.581 -11.762 -9.317 84 H LEU 24 H LEU 24 -22.078 -10.473 -5.764 85 HA LEU 24 HA LEU 24 -23.474 -8.928 -7.632 86 HB2 LEU 24 HB2 LEU 24 -24.152 -9.633 -4.771 87 HB3 LEU 24 HB3 LEU 24 -25.276 -8.824 -5.856 88 HG LEU 24 HG LEU 24 -23.945 -11.475 -6.500 89 HD11 LEU 24 HD11 LEU 24 -25.690 -11.223 -4.467 90 HD12 LEU 24 HD12 LEU 24 -25.712 -12.615 -5.550 91 HD13 LEU 24 HD13 LEU 24 -26.838 -11.281 -5.804 92 HD21 LEU 24 HD21 LEU 24 -25.984 -9.706 -7.799 93 HD22 LEU 24 HD22 LEU 24 -26.164 -11.451 -7.971 94 HD23 LEU 24 HD23 LEU 24 -24.695 -10.658 -8.539 95 H ALA 25 H ALA 25 -22.180 -8.028 -4.454 96 HA ALA 25 HA ALA 25 -23.114 -5.390 -4.387 97 HB1 ALA 25 HB1 ALA 25 -22.119 -6.508 -2.434 98 HB2 ALA 25 HB2 ALA 25 -21.309 -4.978 -2.765 99 HB3 ALA 25 HB3 ALA 25 -20.544 -6.496 -3.225 100 H GLU 26 H GLU 26 -20.140 -6.770 -5.760 101 HA GLU 26 HA GLU 26 -19.013 -4.356 -6.645 102 HB2 GLU 26 HB2 GLU 26 -17.830 -6.522 -6.515 103 HB3 GLU 26 HB3 GLU 26 -18.784 -7.121 -7.864 104 HG2 GLU 26 HG2 GLU 26 -17.855 -5.385 -9.330 105 HG3 GLU 26 HG3 GLU 26 -16.937 -4.723 -7.982 106 H ARG 27 H ARG 27 -21.249 -6.593 -8.327 107 HA ARG 27 HA ARG 27 -21.313 -5.226 -10.792 108 HB2 ARG 27 HB2 ARG 27 -23.315 -7.008 -9.399 109 HB3 ARG 27 HB3 ARG 27 -23.569 -6.390 -11.031 110 HG2 ARG 27 HG2 ARG 27 -21.462 -7.441 -11.759 111 HG3 ARG 27 HG3 ARG 27 -21.182 -8.028 -10.119 112 HD2 ARG 27 HD2 ARG 27 -23.261 -9.342 -10.225 113 HD3 ARG 27 HD3 ARG 27 -23.570 -8.736 -11.847 114 HE ARG 27 HE ARG 27 -21.446 -10.631 -11.078 115 HH11 ARG 27 HH11 ARG 27 -22.286 -8.326 -13.409 116 HH12 ARG 27 HH12 ARG 27 -22.223 -9.388 -14.773 117 HH21 ARG 27 HH21 ARG 27 -21.020 -12.053 -12.922 118 HH22 ARG 27 HH22 ARG 27 -20.489 -11.064 -14.236 119 H VAL 28 H VAL 28 -23.461 -4.953 -7.987 120 HA VAL 28 HA VAL 28 -25.231 -3.101 -9.156 121 HB VAL 28 HB VAL 28 -25.824 -4.477 -7.225 122 HG11 VAL 28 HG11 VAL 28 -23.606 -4.290 -6.087 123 HG12 VAL 28 HG12 VAL 28 -24.968 -3.984 -5.012 124 HG13 VAL 28 HG13 VAL 28 -24.018 -2.636 -5.643 125 HG21 VAL 28 HG21 VAL 28 -26.803 -2.607 -5.800 126 HG22 VAL 28 HG22 VAL 28 -27.206 -2.547 -7.516 127 HG23 VAL 28 HG23 VAL 28 -25.963 -1.478 -6.862 128 H PHE 29 H PHE 29 -22.226 -2.791 -7.483 129 HA PHE 29 HA PHE 29 -22.244 -0.287 -6.464 130 HB2 PHE 29 HB2 PHE 29 -20.343 -2.265 -7.037 131 HB3 PHE 29 HB3 PHE 29 -19.705 -0.812 -7.793 132 HD1 PHE 29 HD1 PHE 29 -21.031 -2.102 -4.498 133 HD2 PHE 29 HD2 PHE 29 -18.248 0.391 -6.438 134 HE1 PHE 29 HE1 PHE 29 -21.104 -0.585 -2.514 135 HE2 PHE 29 HE2 PHE 29 -17.863 1.581 -4.319 136 HZ PHE 29 HZ PHE 29 -19.203 1.006 -2.321 137 HA PRO 30 HA PRO 30 -20.687 1.838 -10.536 138 HB2 PRO 30 HB2 PRO 30 -20.968 0.413 -12.879 139 HB3 PRO 30 HB3 PRO 30 -19.470 0.459 -11.929 140 HG2 PRO 30 HG2 PRO 30 -21.627 -1.605 -11.987 141 HG3 PRO 30 HG3 PRO 30 -19.870 -1.826 -11.976 142 HD2 PRO 30 HD2 PRO 30 -21.340 -2.115 -9.722 143 HD3 PRO 30 HD3 PRO 30 -19.703 -1.438 -9.673 144 H TYR 31 H TYR 31 -23.381 -0.437 -10.723 145 HA TYR 31 HA TYR 31 -24.986 1.082 -12.519 146 HB2 TYR 31 HB2 TYR 31 -25.670 -1.056 -10.524 147 HB3 TYR 31 HB3 TYR 31 -26.881 -0.291 -11.550 148 HD1 TYR 31 HD1 TYR 31 -26.299 -0.189 -14.101 149 HD2 TYR 31 HD2 TYR 31 -25.320 -3.204 -11.328 150 HE1 TYR 31 HE1 TYR 31 -25.357 -1.553 -15.960 151 HE2 TYR 31 HE2 TYR 31 -24.626 -4.728 -13.165 152 HH TYR 31 HH TYR 31 -25.527 -4.649 -15.872 153 H SER 32 H SER 32 -24.784 0.929 -8.999 154 HA SER 32 HA SER 32 -25.618 3.656 -8.755 155 HB2 SER 32 HB2 SER 32 -27.818 3.362 -8.534 156 HB3 SER 32 HB3 SER 32 -27.642 1.612 -8.670 157 HG SER 32 HG SER 32 -27.071 1.670 -6.409 158 HA PRO 33 HA PRO 33 -23.134 2.961 -4.972 159 HB2 PRO 33 HB2 PRO 33 -24.343 5.649 -4.445 160 HB3 PRO 33 HB3 PRO 33 -22.661 5.121 -4.275 161 HG2 PRO 33 HG2 PRO 33 -23.375 6.645 -6.316 162 HG3 PRO 33 HG3 PRO 33 -22.242 5.304 -6.549 163 HD2 PRO 33 HD2 PRO 33 -25.166 5.429 -7.257 164 HD3 PRO 33 HD3 PRO 33 -23.810 4.723 -8.163 165 H GLU 34 H GLU 34 -26.444 4.230 -5.198 166 HA GLU 34 HA GLU 34 -27.031 3.977 -2.433 167 HB2 GLU 34 HB2 GLU 34 -28.786 4.337 -4.864 168 HB3 GLU 34 HB3 GLU 34 -29.407 4.358 -3.212 169 HG2 GLU 34 HG2 GLU 34 -27.932 6.230 -2.648 170 HG3 GLU 34 HG3 GLU 34 -27.217 6.178 -4.252 171 H LEU 35 H LEU 35 -27.874 1.952 -5.225 172 HA LEU 35 HA LEU 35 -29.333 0.002 -3.786 173 HB2 LEU 35 HB2 LEU 35 -27.827 -0.167 -6.394 174 HB3 LEU 35 HB3 LEU 35 -28.774 -1.502 -5.739 175 HG LEU 35 HG LEU 35 -29.895 1.270 -6.237 176 HD11 LEU 35 HD11 LEU 35 -29.387 -0.968 -8.074 177 HD12 LEU 35 HD12 LEU 35 -29.782 0.714 -8.431 178 HD13 LEU 35 HD13 LEU 35 -31.065 -0.437 -8.072 179 HD21 LEU 35 HD21 LEU 35 -32.014 -0.361 -6.304 180 HD22 LEU 35 HD22 LEU 35 -31.416 0.312 -4.790 181 HD23 LEU 35 HD23 LEU 35 -30.983 -1.334 -5.256 182 H ALA 36 H ALA 36 -25.953 0.311 -4.614 183 HA ALA 36 HA ALA 36 -25.080 -2.223 -3.715 184 HB1 ALA 36 HB1 ALA 36 -23.216 0.076 -3.453 185 HB2 ALA 36 HB2 ALA 36 -23.892 -0.197 -5.059 186 HB3 ALA 36 HB3 ALA 36 -22.993 -1.481 -4.254 187 H LYS 37 H LYS 37 -25.524 0.859 -2.182 188 HA LYS 37 HA LYS 37 -24.199 0.493 0.239 189 HB2 LYS 37 HB2 LYS 37 -25.101 2.588 -0.772 190 HB3 LYS 37 HB3 LYS 37 -26.722 2.045 -0.421 191 HG2 LYS 37 HG2 LYS 37 -24.647 2.525 1.723 192 HG3 LYS 37 HG3 LYS 37 -25.782 3.750 1.167 193 HD2 LYS 37 HD2 LYS 37 -27.664 2.274 1.830 194 HD3 LYS 37 HD3 LYS 37 -26.501 1.088 2.432 195 HE2 LYS 37 HE2 LYS 37 -25.601 2.756 4.008 196 HE3 LYS 37 HE3 LYS 37 -26.757 3.941 3.399 197 HZ1 LYS 37 HZ1 LYS 37 -28.185 1.645 4.045 198 HZ2 LYS 37 HZ2 LYS 37 -28.266 3.178 4.773 199 HZ3 LYS 37 HZ3 LYS 37 -27.182 2.006 5.366 200 H ARG 38 H ARG 38 -27.572 -0.165 -0.669 201 HA ARG 38 HA ARG 38 -28.420 -1.209 1.840 202 HB2 ARG 38 HB2 ARG 38 -29.479 -1.463 -0.981 203 HB3 ARG 38 HB3 ARG 38 -30.282 -2.182 0.418 204 HG2 ARG 38 HG2 ARG 38 -30.457 0.018 1.480 205 HG3 ARG 38 HG3 ARG 38 -29.594 0.752 0.129 206 HD2 ARG 38 HD2 ARG 38 -31.403 0.098 -1.396 207 HD3 ARG 38 HD3 ARG 38 -32.268 -0.660 -0.061 208 HE ARG 38 HE ARG 38 -31.745 1.986 0.684 209 HH11 ARG 38 HH11 ARG 38 -33.568 0.253 -1.705 210 HH12 ARG 38 HH12 ARG 38 -34.839 1.425 -1.753 211 HH21 ARG 38 HH21 ARG 38 -33.335 3.604 0.441 212 HH22 ARG 38 HH22 ARG 38 -34.467 3.483 -0.857 213 H TYR 39 H TYR 39 -27.183 -2.728 -1.116 214 HA TYR 39 HA TYR 39 -27.519 -5.389 -0.297 215 HB2 TYR 39 HB2 TYR 39 -25.897 -4.061 -2.414 216 HB3 TYR 39 HB3 TYR 39 -25.616 -5.764 -2.059 217 HD1 TYR 39 HD1 TYR 39 -28.563 -3.446 -2.570 218 HD2 TYR 39 HD2 TYR 39 -26.854 -7.320 -3.208 219 HE1 TYR 39 HE1 TYR 39 -30.479 -4.046 -3.990 220 HE2 TYR 39 HE2 TYR 39 -28.865 -7.990 -4.478 221 HH TYR 39 HH TYR 39 -30.860 -7.361 -5.245 222 H VAL 40 H VAL 40 -24.647 -3.307 0.022 223 HA VAL 40 HA VAL 40 -23.003 -5.297 1.059 224 HB VAL 40 HB VAL 40 -22.945 -2.328 1.523 225 HG11 VAL 40 HG11 VAL 40 -21.657 -3.144 3.327 226 HG12 VAL 40 HG12 VAL 40 -20.441 -2.975 2.062 227 HG13 VAL 40 HG13 VAL 40 -21.117 -4.560 2.427 228 HG21 VAL 40 HG21 VAL 40 -21.701 -4.236 -0.440 229 HG22 VAL 40 HG22 VAL 40 -20.837 -2.765 0.007 230 HG23 VAL 40 HG23 VAL 40 -22.428 -2.656 -0.736 231 H GLU 41 H GLU 41 -25.249 -3.154 2.784 232 HA GLU 41 HA GLU 41 -24.319 -3.805 5.416 233 HB2 GLU 41 HB2 GLU 41 -26.917 -2.583 4.466 234 HB3 GLU 41 HB3 GLU 41 -26.519 -2.835 6.161 235 HG2 GLU 41 HG2 GLU 41 -24.526 -1.436 5.922 236 HG3 GLU 41 HG3 GLU 41 -24.863 -1.214 4.209 237 H LEU 42 H LEU 42 -26.826 -4.991 3.276 238 HA LEU 42 HA LEU 42 -27.712 -7.175 4.779 239 HB2 LEU 42 HB2 LEU 42 -28.742 -6.521 2.706 240 HB3 LEU 42 HB3 LEU 42 -27.261 -6.812 1.814 241 HG LEU 42 HG LEU 42 -27.402 -9.217 2.321 242 HD11 LEU 42 HD11 LEU 42 -28.611 -9.078 4.481 243 HD12 LEU 42 HD12 LEU 42 -29.424 -10.156 3.347 244 HD13 LEU 42 HD13 LEU 42 -30.058 -8.536 3.624 245 HD21 LEU 42 HD21 LEU 42 -29.577 -9.625 1.031 246 HD22 LEU 42 HD22 LEU 42 -28.388 -8.571 0.264 247 HD23 LEU 42 HD23 LEU 42 -29.798 -7.877 1.064 248 H ALA 43 H ALA 43 -24.838 -6.959 2.615 249 HA ALA 43 HA ALA 43 -23.952 -9.587 3.052 250 HB1 ALA 43 HB1 ALA 43 -22.183 -8.994 1.760 251 HB2 ALA 43 HB2 ALA 43 -21.847 -7.542 2.701 252 HB3 ALA 43 HB3 ALA 43 -23.121 -7.530 1.484 253 H LEU 44 H LEU 44 -23.088 -6.611 4.860 254 HA LEU 44 HA LEU 44 -21.358 -7.878 6.671 255 HB2 LEU 44 HB2 LEU 44 -22.938 -5.345 6.750 256 HB3 LEU 44 HB3 LEU 44 -22.141 -5.906 8.217 257 HG LEU 44 HG LEU 44 -19.991 -6.019 6.967 258 HD11 LEU 44 HD11 LEU 44 -19.850 -4.919 4.748 259 HD12 LEU 44 HD12 LEU 44 -21.603 -4.752 4.734 260 HD13 LEU 44 HD13 LEU 44 -20.867 -6.354 4.697 261 HD21 LEU 44 HD21 LEU 44 -21.525 -3.575 7.531 262 HD22 LEU 44 HD22 LEU 44 -20.230 -3.329 6.361 263 HD23 LEU 44 HD23 LEU 44 -19.862 -3.989 7.953 264 H LEU 45 H LEU 45 -24.858 -7.359 6.892 265 HA LEU 45 HA LEU 45 -25.225 -8.628 9.389 266 HB2 LEU 45 HB2 LEU 45 -27.097 -8.227 7.056 267 HB3 LEU 45 HB3 LEU 45 -27.597 -8.954 8.581 268 HG LEU 45 HG LEU 45 -26.270 -6.234 8.397 269 HD11 LEU 45 HD11 LEU 45 -29.218 -6.832 8.773 270 HD12 LEU 45 HD12 LEU 45 -28.512 -6.387 7.218 271 HD13 LEU 45 HD13 LEU 45 -28.464 -5.252 8.567 272 HD21 LEU 45 HD21 LEU 45 -26.016 -6.929 10.606 273 HD22 LEU 45 HD22 LEU 45 -27.483 -7.906 10.578 274 HD23 LEU 45 HD23 LEU 45 -27.594 -6.151 10.687 275 H VAL 46 H VAL 46 -25.311 -9.888 6.086 276 HA VAL 46 HA VAL 46 -25.852 -12.568 6.699 277 HB VAL 46 HB VAL 46 -24.284 -11.335 4.423 278 HG11 VAL 46 HG11 VAL 46 -24.933 -13.627 3.350 279 HG12 VAL 46 HG12 VAL 46 -25.065 -14.183 5.016 280 HG13 VAL 46 HG13 VAL 46 -23.530 -13.565 4.414 281 HG21 VAL 46 HG21 VAL 46 -26.931 -11.110 4.958 282 HG22 VAL 46 HG22 VAL 46 -26.935 -12.641 4.082 283 HG23 VAL 46 HG23 VAL 46 -26.291 -11.188 3.319 284 H GLN 47 H GLN 47 -22.786 -10.795 6.581 285 HA GLN 47 HA GLN 47 -21.066 -13.019 6.594 286 HB2 GLN 47 HB2 GLN 47 -20.426 -10.701 5.991 287 HB3 GLN 47 HB3 GLN 47 -20.623 -10.220 7.673 288 HG2 GLN 47 HG2 GLN 47 -18.840 -11.829 8.322 289 HG3 GLN 47 HG3 GLN 47 -18.634 -12.248 6.622 290 HE21 GLN 47 HE21 GLN 47 -16.908 -11.088 5.671 291 HE22 GLN 47 HE22 GLN 47 -16.609 -9.445 5.961 292 H GLN 48 H GLN 48 -22.172 -10.953 9.333 293 HA GLN 48 HA GLN 48 -21.065 -12.593 11.315 294 HB2 GLN 48 HB2 GLN 48 -22.451 -11.456 12.915 295 HB3 GLN 48 HB3 GLN 48 -21.814 -10.303 11.750 296 HG2 GLN 48 HG2 GLN 48 -23.935 -10.355 10.513 297 HG3 GLN 48 HG3 GLN 48 -24.592 -11.508 11.670 298 HE21 GLN 48 HE21 GLN 48 -26.270 -9.688 11.977 299 HE22 GLN 48 HE22 GLN 48 -25.885 -8.443 13.062 300 H LYS 49 H LYS 49 -24.277 -12.795 9.783 301 HA LYS 49 HA LYS 49 -25.280 -14.856 11.469 302 HB2 LYS 49 HB2 LYS 49 -25.912 -14.189 8.581 303 HB3 LYS 49 HB3 LYS 49 -26.800 -15.364 9.538 304 HG2 LYS 49 HG2 LYS 49 -26.503 -12.437 10.272 305 HG3 LYS 49 HG3 LYS 49 -27.901 -13.122 9.448 306 HD2 LYS 49 HD2 LYS 49 -28.286 -14.620 11.382 307 HD3 LYS 49 HD3 LYS 49 -26.895 -13.914 12.204 308 HE2 LYS 49 HE2 LYS 49 -27.974 -11.698 12.151 309 HE3 LYS 49 HE3 LYS 49 -29.359 -12.389 11.306 310 HZ1 LYS 49 HZ1 LYS 49 -29.305 -12.152 13.914 311 HZ2 LYS 49 HZ2 LYS 49 -28.538 -13.668 13.798 312 HZ3 LYS 49 HZ3 LYS 49 -30.092 -13.447 13.148 313 H ALA 50 H ALA 50 -23.543 -14.919 8.391 314 HA ALA 50 HA ALA 50 -23.373 -17.770 8.286 315 HB1 ALA 50 HB1 ALA 50 -21.831 -15.629 6.802 316 HB2 ALA 50 HB2 ALA 50 -23.323 -16.393 6.262 317 HB3 ALA 50 HB3 ALA 50 -21.846 -17.345 6.390 318 H LYS 51 H LYS 51 -21.770 -15.478 10.150 319 HA LYS 51 HA LYS 51 -19.829 -15.457 11.377 320 HB2 LYS 51 HB2 LYS 51 -20.437 -18.428 11.384 321 HB3 LYS 51 HB3 LYS 51 -19.288 -17.638 12.449 322 HG2 LYS 51 HG2 LYS 51 -22.240 -16.952 12.293 323 HG3 LYS 51 HG3 LYS 51 -21.520 -18.001 13.508 324 HD2 LYS 51 HD2 LYS 51 -20.080 -16.151 14.273 325 HD3 LYS 51 HD3 LYS 51 -20.790 -15.084 13.068 326 HE2 LYS 51 HE2 LYS 51 -23.016 -15.391 14.105 327 HE3 LYS 51 HE3 LYS 51 -22.301 -16.449 15.319 328 HZ1 LYS 51 HZ1 LYS 51 -22.424 -14.307 16.264 329 HZ2 LYS 51 HZ2 LYS 51 -21.749 -13.571 14.891 330 HZ3 LYS 51 HZ3 LYS 51 -20.788 -14.558 15.879 331 H VAL 52 H VAL 52 -19.063 -15.081 8.881 332 HA VAL 52 HA VAL 52 -16.990 -17.118 8.265 333 HB VAL 52 HB VAL 52 -18.015 -15.111 6.259 334 HG11 VAL 52 HG11 VAL 52 -17.218 -17.921 5.648 335 HG12 VAL 52 HG12 VAL 52 -15.940 -16.796 6.102 336 HG13 VAL 52 HG13 VAL 52 -16.961 -16.456 4.702 337 HG21 VAL 52 HG21 VAL 52 -19.698 -16.653 5.494 338 HG22 VAL 52 HG22 VAL 52 -19.959 -16.396 7.220 339 HG23 VAL 52 HG23 VAL 52 -19.182 -17.875 6.659 340 H LYS 53 H LYS 53 -14.950 -16.418 8.454 341 HA LYS 53 HA LYS 53 -14.473 -13.648 9.156 342 HB2 LYS 53 HB2 LYS 53 -12.610 -16.017 8.884 343 HB3 LYS 53 HB3 LYS 53 -12.098 -14.415 9.412 344 HG2 LYS 53 HG2 LYS 53 -13.688 -14.516 11.296 345 HG3 LYS 53 HG3 LYS 53 -14.215 -16.114 10.770 346 HD2 LYS 53 HD2 LYS 53 -11.934 -16.985 11.106 347 HD3 LYS 53 HD3 LYS 53 -11.393 -15.390 11.627 348 HE2 LYS 53 HE2 LYS 53 -12.979 -15.465 13.516 349 HE3 LYS 53 HE3 LYS 53 -13.528 -17.060 12.999 350 HZ1 LYS 53 HZ1 LYS 53 -11.630 -16.766 14.779 351 HZ2 LYS 53 HZ2 LYS 53 -10.656 -16.662 13.392 352 HZ3 LYS 53 HZ3 LYS 53 -11.609 -18.044 13.659 353 H ILE 54 H ILE 54 -13.593 -12.103 7.925 354 HA ILE 54 HA ILE 54 -12.404 -12.843 5.308 355 HB ILE 54 HB ILE 54 -14.558 -10.839 5.969 356 HG12 ILE 54 HG12 ILE 54 -15.359 -11.785 3.692 357 HG13 ILE 54 HG13 ILE 54 -14.158 -13.046 3.951 358 HG21 ILE 54 HG21 ILE 54 -14.152 -9.981 3.595 359 HG22 ILE 54 HG22 ILE 54 -12.554 -10.719 3.721 360 HG23 ILE 54 HG23 ILE 54 -13.028 -9.433 4.834 361 HD11 ILE 54 HD11 ILE 54 -16.763 -13.054 4.913 362 HD12 ILE 54 HD12 ILE 54 -15.824 -12.559 6.317 363 HD13 ILE 54 HD13 ILE 54 -15.450 -14.074 5.492 364 HA PRO 55 HA PRO 55 -9.237 -10.604 7.633 365 HB2 PRO 55 HB2 PRO 55 -7.714 -11.118 5.106 366 HB3 PRO 55 HB3 PRO 55 -7.226 -11.373 6.790 367 HG2 PRO 55 HG2 PRO 55 -7.954 -13.407 5.238 368 HG3 PRO 55 HG3 PRO 55 -8.371 -13.356 6.957 369 HD2 PRO 55 HD2 PRO 55 -10.123 -12.877 4.569 370 HD3 PRO 55 HD3 PRO 55 -10.534 -13.602 6.137 371 H ARG 56 H ARG 56 -9.638 -9.954 4.118 372 HA ARG 56 HA ARG 56 -9.692 -7.110 4.800 373 HB2 ARG 56 HB2 ARG 56 -8.220 -6.552 2.960 374 HB3 ARG 56 HB3 ARG 56 -7.442 -7.618 4.121 375 HG2 ARG 56 HG2 ARG 56 -7.864 -9.545 2.652 376 HG3 ARG 56 HG3 ARG 56 -8.652 -8.483 1.479 377 HD2 ARG 56 HD2 ARG 56 -6.565 -7.180 1.273 378 HD3 ARG 56 HD3 ARG 56 -5.783 -8.246 2.436 379 HE ARG 56 HE ARG 56 -6.397 -8.840 -0.354 380 HH11 ARG 56 HH11 ARG 56 -5.643 -10.135 2.779 381 HH12 ARG 56 HH12 ARG 56 -4.971 -11.593 2.134 382 HH21 ARG 56 HH21 ARG 56 -5.406 -10.691 -1.149 383 HH22 ARG 56 HH22 ARG 56 -4.661 -11.826 -0.077 384 H LYS 57 H LYS 57 -11.181 -9.586 2.913 385 HA LYS 57 HA LYS 57 -11.580 -8.160 0.562 386 HB2 LYS 57 HB2 LYS 57 -13.331 -10.318 1.755 387 HB3 LYS 57 HB3 LYS 57 -13.550 -9.683 0.136 388 HG2 LYS 57 HG2 LYS 57 -11.277 -10.438 -0.462 389 HG3 LYS 57 HG3 LYS 57 -11.060 -11.064 1.179 390 HD2 LYS 57 HD2 LYS 57 -13.035 -12.522 0.880 391 HD3 LYS 57 HD3 LYS 57 -13.220 -11.938 -0.771 392 HE2 LYS 57 HE2 LYS 57 -10.727 -13.325 0.255 393 HE3 LYS 57 HE3 LYS 57 -12.029 -14.145 -0.605 394 HZ1 LYS 57 HZ1 LYS 57 -10.372 -11.897 -1.620 395 HZ2 LYS 57 HZ2 LYS 57 -11.694 -12.569 -2.447 396 HZ3 LYS 57 HZ3 LYS 57 -10.313 -13.511 -2.143 397 H TRP 58 H TRP 58 -13.697 -8.306 3.424 398 HA TRP 58 HA TRP 58 -15.297 -6.122 2.256 399 HB2 TRP 58 HB2 TRP 58 -16.020 -8.371 4.030 400 HB3 TRP 58 HB3 TRP 58 -16.656 -6.810 4.534 401 HD1 TRP 58 HD1 TRP 58 -17.431 -9.588 2.250 402 HE1 TRP 58 HE1 TRP 58 -19.410 -8.843 0.728 403 HE3 TRP 58 HE3 TRP 58 -16.874 -4.577 2.543 404 HZ2 TRP 58 HZ2 TRP 58 -19.960 -6.454 -0.845 405 HZ3 TRP 58 HZ3 TRP 58 -17.877 -3.105 0.833 406 HH2 TRP 58 HH2 TRP 58 -19.413 -4.041 -0.874 407 H LYS 59 H LYS 59 -13.201 -7.093 4.840 408 HA LYS 59 HA LYS 59 -13.916 -5.094 6.712 409 HB2 LYS 59 HB2 LYS 59 -12.758 -7.169 7.328 410 HB3 LYS 59 HB3 LYS 59 -11.316 -6.610 6.476 411 HG2 LYS 59 HG2 LYS 59 -11.179 -4.662 7.969 412 HG3 LYS 59 HG3 LYS 59 -12.667 -5.158 8.781 413 HD2 LYS 59 HD2 LYS 59 -11.562 -7.246 9.503 414 HD3 LYS 59 HD3 LYS 59 -10.071 -6.733 8.710 415 HE2 LYS 59 HE2 LYS 59 -9.970 -4.749 10.191 416 HE3 LYS 59 HE3 LYS 59 -11.466 -5.271 10.968 417 HZ1 LYS 59 HZ1 LYS 59 -9.846 -7.471 11.018 418 HZ2 LYS 59 HZ2 LYS 59 -10.203 -6.450 12.328 419 HZ3 LYS 59 HZ3 LYS 59 -8.804 -6.186 11.400 420 H ARG 60 H ARG 60 -11.434 -5.256 4.209 421 HA ARG 60 HA ARG 60 -10.457 -2.585 4.954 422 HB2 ARG 60 HB2 ARG 60 -9.335 -4.683 3.090 423 HB3 ARG 60 HB3 ARG 60 -8.588 -3.117 3.385 424 HG2 ARG 60 HG2 ARG 60 -9.222 -5.110 5.574 425 HG3 ARG 60 HG3 ARG 60 -7.650 -5.005 4.787 426 HD2 ARG 60 HD2 ARG 60 -7.409 -2.689 5.532 427 HD3 ARG 60 HD3 ARG 60 -9.016 -2.720 6.248 428 HE ARG 60 HE ARG 60 -8.185 -3.911 8.047 429 HH11 ARG 60 HH11 ARG 60 -5.929 -4.114 5.435 430 HH12 ARG 60 HH12 ARG 60 -4.563 -4.405 6.460 431 HH21 ARG 60 HH21 ARG 60 -6.482 -4.693 9.305 432 HH22 ARG 60 HH22 ARG 60 -4.867 -4.676 8.682 433 H ARG 61 H ARG 61 -12.796 -3.824 3.000 434 HA ARG 61 HA ARG 61 -12.369 -1.769 0.920 435 HB2 ARG 61 HB2 ARG 61 -13.534 -4.552 0.673 436 HB3 ARG 61 HB3 ARG 61 -13.658 -3.323 -0.589 437 HG2 ARG 61 HG2 ARG 61 -11.206 -3.163 -0.702 438 HG3 ARG 61 HG3 ARG 61 -11.068 -4.362 0.581 439 HD2 ARG 61 HD2 ARG 61 -12.168 -6.036 -0.859 440 HD3 ARG 61 HD3 ARG 61 -12.311 -4.838 -2.145 441 HE ARG 61 HE ARG 61 -9.610 -5.114 -1.231 442 HH11 ARG 61 HH11 ARG 61 -12.058 -6.542 -3.247 443 HH12 ARG 61 HH12 ARG 61 -10.908 -7.297 -4.298 444 HH21 ARG 61 HH21 ARG 61 -8.181 -6.401 -2.422 445 HH22 ARG 61 HH22 ARG 61 -8.741 -7.192 -3.856 446 H TYR 62 H TYR 62 -13.802 -1.177 3.356 447 HA TYR 62 HA TYR 62 -16.393 -0.624 2.074 448 HB2 TYR 62 HB2 TYR 62 -17.667 -1.514 3.789 449 HB3 TYR 62 HB3 TYR 62 -16.385 -2.695 3.582 450 HD1 TYR 62 HD1 TYR 62 -14.224 -2.283 5.075 451 HD2 TYR 62 HD2 TYR 62 -18.270 -1.481 5.963 452 HE1 TYR 62 HE1 TYR 62 -13.595 -1.600 7.384 453 HE2 TYR 62 HE2 TYR 62 -17.759 -1.550 8.371 454 HH TYR 62 HH TYR 62 -14.505 -0.983 9.516 455 H CYS 63 H CYS 63 -17.675 1.022 3.070 456 HA CYS 63 HA CYS 63 -16.147 3.198 4.253 457 HB2 CYS 63 HB2 CYS 63 -18.112 3.296 2.461 458 HB3 CYS 63 HB3 CYS 63 -19.097 3.376 3.927 459 H LYS 64 H LYS 64 -16.470 4.118 6.255 460 HA LYS 64 HA LYS 64 -17.026 2.378 8.372 461 HB2 LYS 64 HB2 LYS 64 -16.953 5.412 8.236 462 HB3 LYS 64 HB3 LYS 64 -16.998 4.509 9.744 463 HG2 LYS 64 HG2 LYS 64 -14.869 3.425 9.175 464 HG3 LYS 64 HG3 LYS 64 -14.835 4.272 7.626 465 HD2 LYS 64 HD2 LYS 64 -14.862 6.446 8.846 466 HD3 LYS 64 HD3 LYS 64 -14.813 5.566 10.373 467 HE2 LYS 64 HE2 LYS 64 -12.696 5.329 8.215 468 HE3 LYS 64 HE3 LYS 64 -12.575 6.398 9.615 469 HZ1 LYS 64 HZ1 LYS 64 -11.535 4.089 9.789 470 HZ2 LYS 64 HZ2 LYS 64 -13.129 3.524 9.960 471 HZ3 LYS 64 HZ3 LYS 64 -12.496 4.635 11.078 472 H LYS 65 H LYS 65 -19.059 4.893 6.915 473 HA LYS 65 HA LYS 65 -21.306 4.234 8.692 474 HB2 LYS 65 HB2 LYS 65 -20.807 6.627 8.260 475 HB3 LYS 65 HB3 LYS 65 -21.090 6.359 6.545 476 HG2 LYS 65 HG2 LYS 65 -23.379 5.666 6.971 477 HG3 LYS 65 HG3 LYS 65 -23.136 5.805 8.712 478 HD2 LYS 65 HD2 LYS 65 -22.673 8.227 8.433 479 HD3 LYS 65 HD3 LYS 65 -22.956 8.067 6.703 480 HE2 LYS 65 HE2 LYS 65 -25.014 7.358 8.819 481 HE3 LYS 65 HE3 LYS 65 -24.948 8.917 8.002 482 HZ1 LYS 65 HZ1 LYS 65 -26.082 8.033 6.343 483 HZ2 LYS 65 HZ2 LYS 65 -26.073 6.504 7.082 484 HZ3 LYS 65 HZ3 LYS 65 -24.812 6.952 6.035 485 H CYS 66 H CYS 66 -20.474 4.418 5.259 486 HA CYS 66 HA CYS 66 -23.092 3.751 4.427 487 HB2 CYS 66 HB2 CYS 66 -20.582 3.666 2.719 488 HB3 CYS 66 HB3 CYS 66 -22.250 3.874 2.189 489 H HIS 67 H HIS 67 -20.225 1.918 4.997 490 HA HIS 67 HA HIS 67 -19.760 -0.325 4.926 491 HB2 HIS 67 HB2 HIS 67 -22.797 -0.463 4.881 492 HB3 HIS 67 HB3 HIS 67 -21.741 -1.857 5.092 493 HD1 HIS 67 HD1 HIS 67 -23.783 -0.381 7.233 494 HD2 HIS 67 HD2 HIS 67 -19.615 -0.083 7.177 495 HE1 HIS 67 HE1 HIS 67 -22.947 -0.134 9.660 496 HE2 HIS 67 HE2 HIS 67 -20.713 1.080 9.282 497 H ALA 68 H ALA 68 -19.125 0.773 2.762 498 HA ALA 68 HA ALA 68 -20.563 -0.433 0.465 499 HB1 ALA 68 HB1 ALA 68 -19.100 2.123 0.130 500 HB2 ALA 68 HB2 ALA 68 -20.537 2.203 1.144 501 HB3 ALA 68 HB3 ALA 68 -20.664 1.633 -0.524 502 H PHE 69 H PHE 69 -19.303 -0.833 -1.429 503 HA PHE 69 HA PHE 69 -16.817 -2.097 -0.654 504 HB2 PHE 69 HB2 PHE 69 -18.452 -3.091 -2.296 505 HB3 PHE 69 HB3 PHE 69 -18.073 -1.772 -3.395 506 HD1 PHE 69 HD1 PHE 69 -16.465 -4.469 -1.416 507 HD2 PHE 69 HD2 PHE 69 -16.613 -2.328 -5.107 508 HE1 PHE 69 HE1 PHE 69 -14.662 -5.908 -2.307 509 HE2 PHE 69 HE2 PHE 69 -14.828 -3.783 -6.025 510 HZ PHE 69 HZ PHE 69 -14.194 -5.817 -4.743 511 H LEU 70 H LEU 70 -14.946 -0.875 -0.575 512 HA LEU 70 HA LEU 70 -15.379 1.801 -1.428 513 HB2 LEU 70 HB2 LEU 70 -14.163 0.740 0.757 514 HB3 LEU 70 HB3 LEU 70 -12.760 1.181 -0.209 515 HG LEU 70 HG LEU 70 -13.222 3.100 1.089 516 HD11 LEU 70 HD11 LEU 70 -13.589 4.783 -0.491 517 HD12 LEU 70 HD12 LEU 70 -14.765 3.829 -1.383 518 HD13 LEU 70 HD13 LEU 70 -13.047 3.437 -1.490 519 HD21 LEU 70 HD21 LEU 70 -15.996 2.227 0.784 520 HD22 LEU 70 HD22 LEU 70 -15.807 3.968 0.602 521 HD23 LEU 70 HD23 LEU 70 -15.248 3.171 2.070 522 H VAL 71 H VAL 71 -15.173 2.008 -3.557 523 HA VAL 71 HA VAL 71 -12.557 1.454 -4.808 524 HB VAL 71 HB VAL 71 -15.297 0.654 -5.787 525 HG11 VAL 71 HG11 VAL 71 -13.915 -0.049 -7.884 526 HG12 VAL 71 HG12 VAL 71 -12.761 1.163 -7.331 527 HG13 VAL 71 HG13 VAL 71 -14.412 1.634 -7.726 528 HG21 VAL 71 HG21 VAL 71 -14.161 -1.531 -6.107 529 HG22 VAL 71 HG22 VAL 71 -14.119 -1.003 -4.425 530 HG23 VAL 71 HG23 VAL 71 -12.684 -0.845 -5.438 531 HA PRO 72 HA PRO 72 -13.339 5.756 -5.831 532 HB2 PRO 72 HB2 PRO 72 -10.959 5.434 -7.587 533 HB3 PRO 72 HB3 PRO 72 -11.269 6.613 -6.305 534 HG2 PRO 72 HG2 PRO 72 -9.558 4.556 -6.013 535 HG3 PRO 72 HG3 PRO 72 -10.493 5.221 -4.666 536 HD2 PRO 72 HD2 PRO 72 -10.904 2.672 -6.168 537 HD3 PRO 72 HD3 PRO 72 -11.250 3.047 -4.465 538 H GLY 73 H GLY 73 -14.409 6.729 -7.462 539 HA2 GLY 73 HA2 GLY 73 -14.835 7.254 -9.739 540 HA3 GLY 73 HA3 GLY 73 -14.319 5.637 -10.191 541 H ILE 74 H ILE 74 -16.172 4.876 -7.619 542 HA ILE 74 HA ILE 74 -18.395 4.383 -9.515 543 HB ILE 74 HB ILE 74 -17.347 2.578 -7.333 544 HG12 ILE 74 HG12 ILE 74 -17.604 2.165 -10.326 545 HG13 ILE 74 HG13 ILE 74 -16.122 2.746 -9.569 546 HG21 ILE 74 HG21 ILE 74 -19.606 2.052 -7.261 547 HG22 ILE 74 HG22 ILE 74 -19.140 1.078 -8.656 548 HG23 ILE 74 HG23 ILE 74 -19.892 2.657 -8.890 549 HD11 ILE 74 HD11 ILE 74 -16.568 0.575 -8.027 550 HD12 ILE 74 HD12 ILE 74 -15.642 0.501 -9.525 551 HD13 ILE 74 HD13 ILE 74 -17.347 0.046 -9.521 552 H ASN 75 H ASN 75 -18.154 3.904 -5.970 553 HA ASN 75 HA ASN 75 -20.586 5.577 -5.682 554 HB2 ASN 75 HB2 ASN 75 -20.897 4.561 -3.518 555 HB3 ASN 75 HB3 ASN 75 -20.619 3.260 -4.673 556 HD21 ASN 75 HD21 ASN 75 -20.123 3.245 -1.772 557 HD22 ASN 75 HD22 ASN 75 -18.463 2.998 -1.540 558 H ALA 76 H ALA 76 -17.401 5.908 -5.776 559 HA ALA 76 HA ALA 76 -17.235 8.057 -3.890 560 HB1 ALA 76 HB1 ALA 76 -15.603 7.133 -2.402 561 HB2 ALA 76 HB2 ALA 76 -15.343 5.737 -3.445 562 HB3 ALA 76 HB3 ALA 76 -16.840 5.878 -2.528 563 H ARG 77 H ARG 77 -15.336 9.321 -4.275 564 HA ARG 77 HA ARG 77 -13.767 8.412 -6.610 565 HB2 ARG 77 HB2 ARG 77 -15.533 10.159 -7.164 566 HB3 ARG 77 HB3 ARG 77 -14.585 11.284 -6.192 567 HG2 ARG 77 HG2 ARG 77 -12.617 10.892 -7.585 568 HG3 ARG 77 HG3 ARG 77 -13.491 9.707 -8.544 569 HD2 ARG 77 HD2 ARG 77 -13.481 11.798 -9.755 570 HD3 ARG 77 HD3 ARG 77 -15.117 11.515 -9.182 571 HE ARG 77 HE ARG 77 -13.743 13.071 -7.261 572 HH11 ARG 77 HH11 ARG 77 -14.892 13.312 -10.527 573 HH12 ARG 77 HH12 ARG 77 -15.750 14.782 -10.213 574 HH21 ARG 77 HH21 ARG 77 -13.745 15.357 -7.389 575 HH22 ARG 77 HH22 ARG 77 -14.204 16.098 -8.883 576 H VAL 78 H VAL 78 -11.642 9.011 -6.758 577 HA VAL 78 HA VAL 78 -10.492 10.201 -4.314 578 HB VAL 78 HB VAL 78 -10.162 7.675 -4.468 579 HG11 VAL 78 HG11 VAL 78 -8.099 8.351 -6.557 580 HG12 VAL 78 HG12 VAL 78 -9.736 7.899 -7.027 581 HG13 VAL 78 HG13 VAL 78 -8.740 6.768 -6.114 582 HG21 VAL 78 HG21 VAL 78 -7.445 8.845 -4.609 583 HG22 VAL 78 HG22 VAL 78 -8.194 7.899 -3.328 584 HG23 VAL 78 HG23 VAL 78 -8.540 9.621 -3.465 585 H ARG 79 H ARG 79 -9.038 11.756 -4.658 586 HA ARG 79 HA ARG 79 -8.221 12.297 -7.459 587 HB2 ARG 79 HB2 ARG 79 -9.564 14.126 -6.424 588 HB3 ARG 79 HB3 ARG 79 -8.354 14.238 -5.144 589 HG2 ARG 79 HG2 ARG 79 -6.627 14.771 -6.830 590 HG3 ARG 79 HG3 ARG 79 -7.846 14.651 -8.102 591 HD2 ARG 79 HD2 ARG 79 -9.135 16.458 -6.986 592 HD3 ARG 79 HD3 ARG 79 -7.832 16.645 -5.815 593 HE ARG 79 HE ARG 79 -6.477 17.580 -7.505 594 HH11 ARG 79 HH11 ARG 79 -9.359 16.188 -8.846 595 HH12 ARG 79 HH12 ARG 79 -9.318 17.158 -10.275 596 HH21 ARG 79 HH21 ARG 79 -6.279 18.620 -9.491 597 HH22 ARG 79 HH22 ARG 79 -7.463 18.378 -10.729 598 H LEU 80 H LEU 80 -6.100 11.952 -7.831 599 HA LEU 80 HA LEU 80 -4.293 11.648 -5.508 600 HB2 LEU 80 HB2 LEU 80 -3.769 10.921 -8.401 601 HB3 LEU 80 HB3 LEU 80 -2.858 10.403 -6.985 602 HG LEU 80 HG LEU 80 -5.120 9.352 -6.207 603 HD11 LEU 80 HD11 LEU 80 -6.832 9.862 -7.623 604 HD12 LEU 80 HD12 LEU 80 -6.146 8.608 -8.652 605 HD13 LEU 80 HD13 LEU 80 -5.736 10.298 -8.933 606 HD21 LEU 80 HD21 LEU 80 -3.997 8.028 -8.659 607 HD22 LEU 80 HD22 LEU 80 -4.477 7.301 -7.127 608 HD23 LEU 80 HD23 LEU 80 -2.977 8.221 -7.236 609 H ARG 81 H ARG 81 -3.154 13.400 -5.021 610 HA ARG 81 HA ARG 81 -2.855 15.506 -6.998 611 HB2 ARG 81 HB2 ARG 81 -2.415 15.444 -4.021 612 HB3 ARG 81 HB3 ARG 81 -2.032 16.850 -5.021 613 HG2 ARG 81 HG2 ARG 81 -4.367 16.875 -5.846 614 HG3 ARG 81 HG3 ARG 81 -4.740 15.478 -4.838 615 HD2 ARG 81 HD2 ARG 81 -4.184 16.791 -2.821 616 HD3 ARG 81 HD3 ARG 81 -3.806 18.179 -3.839 617 HE ARG 81 HE ARG 81 -6.445 17.182 -4.338 618 HH11 ARG 81 HH11 ARG 81 -4.748 19.952 -3.426 619 HH12 ARG 81 HH12 ARG 81 -5.732 20.365 -2.072 620 HH21 ARG 81 HH21 ARG 81 -8.186 18.195 -3.337 621 HH22 ARG 81 HH22 ARG 81 -7.929 19.788 -2.723 622 H GLN 82 H GLN 82 -0.945 16.521 -7.553 623 HA GLN 82 HA GLN 82 0.863 14.545 -8.497 624 HB2 GLN 82 HB2 GLN 82 0.890 17.575 -8.616 625 HB3 GLN 82 HB3 GLN 82 2.031 16.557 -9.485 626 HG2 GLN 82 HG2 GLN 82 0.189 15.485 -10.694 627 HG3 GLN 82 HG3 GLN 82 -0.988 16.414 -9.770 628 HE21 GLN 82 HE21 GLN 82 1.002 16.454 -12.587 629 HE22 GLN 82 HE22 GLN 82 0.941 18.118 -12.913 630 H LYS 83 H LYS 83 3.407 15.561 -8.462 631 HA LYS 83 HA LYS 83 4.137 14.740 -5.871 632 HB2 LYS 83 HB2 LYS 83 5.781 15.995 -8.095 633 HB3 LYS 83 HB3 LYS 83 6.484 15.269 -6.653 634 HG2 LYS 83 HG2 LYS 83 5.389 13.108 -7.244 635 HG3 LYS 83 HG3 LYS 83 4.716 13.873 -8.684 636 HD2 LYS 83 HD2 LYS 83 6.960 14.332 -9.538 637 HD3 LYS 83 HD3 LYS 83 7.686 13.646 -8.087 638 HE2 LYS 83 HE2 LYS 83 7.757 11.997 -9.880 639 HE3 LYS 83 HE3 LYS 83 6.610 11.450 -8.656 640 HZ1 LYS 83 HZ1 LYS 83 4.849 11.808 -10.014 641 HZ2 LYS 83 HZ2 LYS 83 6.016 11.532 -11.219 642 HZ3 LYS 83 HZ3 LYS 83 5.574 13.120 -10.816 643 H ARG 84 H ARG 84 3.033 16.185 -4.621 644 HA ARG 84 HA ARG 84 4.942 18.150 -3.577 645 HB2 ARG 84 HB2 ARG 84 3.141 19.238 -2.375 646 HB3 ARG 84 HB3 ARG 84 2.771 19.231 -4.095 647 HG2 ARG 84 HG2 ARG 84 1.263 17.332 -3.792 648 HG3 ARG 84 HG3 ARG 84 1.663 17.255 -2.075 649 HD2 ARG 84 HD2 ARG 84 0.810 19.584 -1.812 650 HD3 ARG 84 HD3 ARG 84 0.335 19.565 -3.510 651 HE ARG 84 HE ARG 84 -0.875 17.347 -2.480 652 HH11 ARG 84 HH11 ARG 84 -1.091 20.763 -2.415 653 HH12 ARG 84 HH12 ARG 84 -2.358 20.809 -1.246 654 HH21 ARG 84 HH21 ARG 84 -2.562 17.421 -0.878 655 HH22 ARG 84 HH22 ARG 84 -3.355 18.921 -0.587 656 H MET 85 H MET 85 3.426 17.825 -0.951 657 HA MET 85 HA MET 85 4.703 15.294 -0.150 658 HB2 MET 85 HB2 MET 85 2.785 16.651 1.671 659 HB3 MET 85 HB3 MET 85 4.319 15.872 2.031 660 HG2 MET 85 HG2 MET 85 5.361 17.910 0.783 661 HG3 MET 85 HG3 MET 85 3.797 18.677 1.072 662 HE1 MET 85 HE1 MET 85 3.619 20.217 3.240 663 HE2 MET 85 HE2 MET 85 3.440 19.226 4.689 664 HE3 MET 85 HE3 MET 85 2.621 18.765 3.196 665 HA PRO 86 HA PRO 86 1.357 13.978 -2.466 666 HB2 PRO 86 HB2 PRO 86 1.549 11.195 -1.455 667 HB3 PRO 86 HB3 PRO 86 1.776 11.822 -3.090 668 HG2 PRO 86 HG2 PRO 86 3.800 11.004 -1.455 669 HG3 PRO 86 HG3 PRO 86 3.974 12.135 -2.802 670 HD2 PRO 86 HD2 PRO 86 4.113 12.671 0.087 671 HD3 PRO 86 HD3 PRO 86 4.670 13.658 -1.274 672 H HIS 87 H HIS 87 -0.843 13.686 -2.408 673 HA HIS 87 HA HIS 87 -2.114 12.712 0.052 674 HB2 HIS 87 HB2 HIS 87 -2.765 15.369 -1.245 675 HB3 HIS 87 HB3 HIS 87 -3.704 14.612 0.040 676 HD1 HIS 87 HD1 HIS 87 -2.187 14.000 2.284 677 HD2 HIS 87 HD2 HIS 87 -0.733 16.984 -0.250 678 HE1 HIS 87 HE1 HIS 87 -0.183 15.084 3.436 679 HE2 HIS 87 HE2 HIS 87 0.449 17.112 2.047 680 H ILE 88 H ILE 88 -3.910 11.519 -0.351 681 HA ILE 88 HA ILE 88 -5.246 11.941 -2.949 682 HB ILE 88 HB ILE 88 -5.928 9.610 -3.010 683 HG12 ILE 88 HG12 ILE 88 -4.212 9.205 -0.532 684 HG13 ILE 88 HG13 ILE 88 -5.971 9.292 -0.501 685 HG21 ILE 88 HG21 ILE 88 -2.964 9.636 -2.404 686 HG22 ILE 88 HG22 ILE 88 -3.619 10.414 -3.844 687 HG23 ILE 88 HG23 ILE 88 -3.819 8.678 -3.612 688 HD11 ILE 88 HD11 ILE 88 -5.141 7.434 -2.540 689 HD12 ILE 88 HD12 ILE 88 -6.126 7.127 -1.110 690 HD13 ILE 88 HD13 ILE 88 -4.369 7.027 -1.009 691 H VAL 89 H VAL 89 -7.355 12.568 -2.744 692 HA VAL 89 HA VAL 89 -8.547 12.275 -0.048 693 HB VAL 89 HB VAL 89 -9.842 14.282 -0.557 694 HG11 VAL 89 HG11 VAL 89 -7.418 14.304 0.369 695 HG12 VAL 89 HG12 VAL 89 -8.112 15.823 -0.207 696 HG13 VAL 89 HG13 VAL 89 -6.981 14.929 -1.221 697 HG21 VAL 89 HG21 VAL 89 -10.147 14.977 -2.665 698 HG22 VAL 89 HG22 VAL 89 -9.016 13.759 -3.257 699 HG23 VAL 89 HG23 VAL 89 -8.428 15.348 -2.773 700 H VAL 90 H VAL 90 -10.482 11.362 0.208 701 HA VAL 90 HA VAL 90 -11.612 10.085 -2.214 702 HB VAL 90 HB VAL 90 -11.079 8.967 0.549 703 HG11 VAL 90 HG11 VAL 90 -12.149 6.870 -0.336 704 HG12 VAL 90 HG12 VAL 90 -12.746 7.809 -1.703 705 HG13 VAL 90 HG13 VAL 90 -13.284 8.190 -0.065 706 HG21 VAL 90 HG21 VAL 90 -9.879 7.219 -0.781 707 HG22 VAL 90 HG22 VAL 90 -9.165 8.824 -0.929 708 HG23 VAL 90 HG23 VAL 90 -10.172 8.180 -2.227 709 H LYS 91 H LYS 91 -13.733 10.388 -2.461 710 HA LYS 91 HA LYS 91 -15.336 11.245 -0.132 711 HB2 LYS 91 HB2 LYS 91 -16.816 12.284 -2.089 712 HB3 LYS 91 HB3 LYS 91 -15.567 13.204 -1.269 713 HG2 LYS 91 HG2 LYS 91 -15.131 11.731 -3.868 714 HG3 LYS 91 HG3 LYS 91 -15.561 13.434 -3.766 715 HD2 LYS 91 HD2 LYS 91 -13.484 13.873 -2.497 716 HD3 LYS 91 HD3 LYS 91 -13.021 12.180 -2.658 717 HE2 LYS 91 HE2 LYS 91 -13.054 12.375 -5.099 718 HE3 LYS 91 HE3 LYS 91 -13.502 14.075 -4.957 719 HZ1 LYS 91 HZ1 LYS 91 -11.096 13.019 -3.616 720 HZ2 LYS 91 HZ2 LYS 91 -11.451 14.620 -4.067 721 HZ3 LYS 91 HZ3 LYS 91 -11.046 13.471 -5.250 722 H CYS 92 H CYS 92 -17.036 9.939 0.256 723 HA CYS 92 HA CYS 92 -17.713 7.992 -1.878 724 HB2 CYS 92 HB2 CYS 92 -16.807 6.585 -0.268 725 HB3 CYS 92 HB3 CYS 92 -17.354 7.601 1.060 726 H LEU 93 H LEU 93 -19.745 8.014 -2.499 727 HA LEU 93 HA LEU 93 -21.183 10.397 -1.977 728 HB2 LEU 93 HB2 LEU 93 -21.845 7.931 -3.594 729 HB3 LEU 93 HB3 LEU 93 -22.891 9.349 -3.523 730 HG LEU 93 HG LEU 93 -19.950 9.501 -4.250 731 HD11 LEU 93 HD11 LEU 93 -21.739 8.208 -5.820 732 HD12 LEU 93 HD12 LEU 93 -20.402 9.163 -6.458 733 HD13 LEU 93 HD13 LEU 93 -22.015 9.865 -6.354 734 HD21 LEU 93 HD21 LEU 93 -20.606 11.657 -3.642 735 HD22 LEU 93 HD22 LEU 93 -22.260 11.427 -4.211 736 HD23 LEU 93 HD23 LEU 93 -20.951 11.658 -5.368 737 H GLU 94 H GLU 94 -21.575 7.062 -1.027 738 HA GLU 94 HA GLU 94 -24.223 7.171 -0.160 739 HB2 GLU 94 HB2 GLU 94 -21.919 5.396 0.695 740 HB3 GLU 94 HB3 GLU 94 -23.604 5.094 1.129 741 HG2 GLU 94 HG2 GLU 94 -24.215 4.993 -1.246 742 HG3 GLU 94 HG3 GLU 94 -22.558 5.354 -1.704 743 H CYS 95 H CYS 95 -21.196 7.908 1.553 744 HA CYS 95 HA CYS 95 -22.683 8.707 3.941 745 HB2 CYS 95 HB2 CYS 95 -20.437 9.827 4.559 746 HB3 CYS 95 HB3 CYS 95 -20.616 8.087 4.713 747 H GLY 96 H GLY 96 -21.271 10.018 1.027 748 HA2 GLY 96 HA2 GLY 96 -21.643 12.093 0.012 749 HA3 GLY 96 HA3 GLY 96 -22.553 12.599 1.424 750 H HIS 97 H HIS 97 -19.423 11.252 1.988 751 HA HIS 97 HA HIS 97 -18.552 13.931 2.853 752 HB2 HIS 97 HB2 HIS 97 -18.437 11.377 4.440 753 HB3 HIS 97 HB3 HIS 97 -17.601 12.869 4.887 754 HD1 HIS 97 HD1 HIS 97 -19.322 15.081 4.760 755 HD2 HIS 97 HD2 HIS 97 -20.738 11.364 6.012 756 HE1 HIS 97 HE1 HIS 97 -21.423 15.475 6.153 757 HE2 HIS 97 HE2 HIS 97 -22.623 13.202 6.181 758 H ILE 98 H ILE 98 -16.394 14.337 3.010 759 HA ILE 98 HA ILE 98 -14.742 12.741 1.179 760 HB ILE 98 HB ILE 98 -15.129 14.958 0.364 761 HG12 ILE 98 HG12 ILE 98 -12.889 15.838 0.165 762 HG13 ILE 98 HG13 ILE 98 -12.372 14.985 1.615 763 HG21 ILE 98 HG21 ILE 98 -15.812 16.035 2.442 764 HG22 ILE 98 HG22 ILE 98 -14.520 16.960 1.687 765 HG23 ILE 98 HG23 ILE 98 -14.168 15.923 3.069 766 HD11 ILE 98 HD11 ILE 98 -12.071 13.037 0.509 767 HD12 ILE 98 HD12 ILE 98 -12.043 14.045 -0.935 768 HD13 ILE 98 HD13 ILE 98 -13.533 13.236 -0.454 769 H MET 99 H MET 99 -13.074 11.741 1.849 770 HA MET 99 HA MET 99 -11.873 12.344 4.489 771 HB2 MET 99 HB2 MET 99 -12.014 9.793 2.860 772 HB3 MET 99 HB3 MET 99 -11.056 9.968 4.330 773 HG2 MET 99 HG2 MET 99 -13.062 10.470 5.625 774 HG3 MET 99 HG3 MET 99 -14.050 10.439 4.164 775 HE1 MET 99 HE1 MET 99 -11.042 7.893 5.247 776 HE2 MET 99 HE2 MET 99 -12.042 6.978 6.369 777 HE3 MET 99 HE3 MET 99 -11.825 8.713 6.595 778 H ARG 100 H ARG 100 -9.723 12.757 4.594 779 HA ARG 100 HA ARG 100 -8.209 12.869 2.069 780 HB2 ARG 100 HB2 ARG 100 -7.779 14.207 4.748 781 HB3 ARG 100 HB3 ARG 100 -6.636 14.302 3.407 782 HG2 ARG 100 HG2 ARG 100 -8.365 15.294 1.977 783 HG3 ARG 100 HG3 ARG 100 -9.543 15.153 3.281 784 HD2 ARG 100 HD2 ARG 100 -8.180 16.667 4.672 785 HD3 ARG 100 HD3 ARG 100 -7.001 16.799 3.375 786 HE ARG 100 HE ARG 100 -9.707 17.960 3.401 787 HH11 ARG 100 HH11 ARG 100 -7.316 16.932 1.093 788 HH12 ARG 100 HH12 ARG 100 -6.725 18.545 0.897 789 HH21 ARG 100 HH21 ARG 100 -10.016 19.601 1.874 790 HH22 ARG 100 HH22 ARG 100 -9.062 19.568 0.431 791 H TYR 101 H TYR 101 -6.504 11.602 1.714 792 HA TYR 101 HA TYR 101 -5.417 10.022 3.968 793 HB2 TYR 101 HB2 TYR 101 -6.598 9.150 1.454 794 HB3 TYR 101 HB3 TYR 101 -4.952 8.549 1.640 795 HD1 TYR 101 HD1 TYR 101 -7.944 9.107 3.861 796 HD2 TYR 101 HD2 TYR 101 -4.763 6.471 2.681 797 HE1 TYR 101 HE1 TYR 101 -8.893 7.316 5.294 798 HE2 TYR 101 HE2 TYR 101 -5.708 4.692 4.136 799 HH TYR 101 HH TYR 101 -7.357 5.293 6.690 800 HA PRO 102 HA PRO 102 -1.715 12.232 2.428 801 HB2 PRO 102 HB2 PRO 102 -0.679 11.289 5.041 802 HB3 PRO 102 HB3 PRO 102 -0.692 12.924 4.364 803 HG2 PRO 102 HG2 PRO 102 -2.306 12.226 6.372 804 HG3 PRO 102 HG3 PRO 102 -2.812 13.370 5.120 805 HD2 PRO 102 HD2 PRO 102 -3.529 10.458 5.414 806 HD3 PRO 102 HD3 PRO 102 -4.555 11.824 4.921 807 H TYR 103 H TYR 103 0.064 11.346 1.443 808 HA TYR 103 HA TYR 103 0.890 8.611 2.186 809 HB2 TYR 103 HB2 TYR 103 -0.619 8.466 0.227 810 HB3 TYR 103 HB3 TYR 103 0.415 9.596 -0.642 811 HD1 TYR 103 HD1 TYR 103 0.462 6.298 1.122 812 HD2 TYR 103 HD2 TYR 103 2.366 8.839 -1.774 813 HE1 TYR 103 HE1 TYR 103 1.774 4.371 0.293 814 HE2 TYR 103 HE2 TYR 103 3.778 6.931 -2.504 815 HH TYR 103 HH TYR 103 4.286 4.365 -0.807 816 H ILE 104 H ILE 104 3.066 8.133 1.746 817 HA ILE 104 HA ILE 104 4.780 10.413 1.000 818 HB ILE 104 HB ILE 104 5.318 8.445 3.232 819 HG12 ILE 104 HG12 ILE 104 3.728 10.224 3.842 820 HG13 ILE 104 HG13 ILE 104 5.269 10.450 4.658 821 HG21 ILE 104 HG21 ILE 104 7.014 10.596 1.959 822 HG22 ILE 104 HG22 ILE 104 7.404 8.889 2.150 823 HG23 ILE 104 HG23 ILE 104 7.351 9.940 3.563 824 HD11 ILE 104 HD11 ILE 104 5.715 11.914 2.407 825 HD12 ILE 104 HD12 ILE 104 5.052 12.591 3.891 826 HD13 ILE 104 HD13 ILE 104 3.973 12.112 2.584 827 H LYS 105 H LYS 105 6.246 10.035 -0.473 828 HA LYS 105 HA LYS 105 6.500 7.328 -1.603 829 HB2 LYS 105 HB2 LYS 105 7.242 10.081 -2.629 830 HB3 LYS 105 HB3 LYS 105 7.640 8.584 -3.479 831 HG2 LYS 105 HG2 LYS 105 5.242 8.004 -3.557 832 HG3 LYS 105 HG3 LYS 105 4.847 9.482 -2.685 833 HD2 LYS 105 HD2 LYS 105 5.798 10.822 -4.527 834 HD3 LYS 105 HD3 LYS 105 6.191 9.345 -5.403 835 HE2 LYS 105 HE2 LYS 105 3.790 8.743 -5.456 836 HE3 LYS 105 HE3 LYS 105 3.403 10.215 -4.569 837 HZ1 LYS 105 HZ1 LYS 105 3.795 11.513 -6.367 838 HZ2 LYS 105 HZ2 LYS 105 3.342 10.102 -7.192 839 HZ3 LYS 105 HZ3 LYS 105 4.984 10.486 -7.010 Start of MODEL 3 1 H LYS 15 H LYS 15 -18.391 -17.892 4.722 2 HA LYS 15 HA LYS 15 -17.161 -17.279 2.884 3 HB2 LYS 15 HB2 LYS 15 -16.478 -19.481 3.799 4 HB3 LYS 15 HB3 LYS 15 -17.549 -20.284 2.652 5 HG2 LYS 15 HG2 LYS 15 -16.274 -19.312 0.772 6 HG3 LYS 15 HG3 LYS 15 -15.230 -18.476 1.923 7 HD2 LYS 15 HD2 LYS 15 -14.488 -20.631 2.836 8 HD3 LYS 15 HD3 LYS 15 -15.548 -21.493 1.716 9 HE2 LYS 15 HE2 LYS 15 -13.260 -21.454 0.831 10 HE3 LYS 15 HE3 LYS 15 -14.300 -20.444 -0.181 11 HZ1 LYS 15 HZ1 LYS 15 -12.816 -19.280 2.092 12 HZ2 LYS 15 HZ2 LYS 15 -13.440 -18.501 0.721 13 HZ3 LYS 15 HZ3 LYS 15 -12.062 -19.481 0.583 14 H GLU 16 H GLU 16 -19.290 -19.865 1.688 15 HA GLU 16 HA GLU 16 -19.407 -18.890 -0.975 16 HB2 GLU 16 HB2 GLU 16 -19.952 -21.240 -0.325 17 HB3 GLU 16 HB3 GLU 16 -21.410 -20.654 0.464 18 HG2 GLU 16 HG2 GLU 16 -22.265 -19.799 -1.664 19 HG3 GLU 16 HG3 GLU 16 -20.792 -20.302 -2.481 20 H ARG 17 H ARG 17 -21.435 -18.405 1.880 21 HA ARG 17 HA ARG 17 -23.571 -17.039 0.679 22 HB2 ARG 17 HB2 ARG 17 -22.352 -16.823 3.452 23 HB3 ARG 17 HB3 ARG 17 -23.844 -16.012 2.975 24 HG2 ARG 17 HG2 ARG 17 -24.890 -18.151 2.480 25 HG3 ARG 17 HG3 ARG 17 -23.378 -19.002 2.825 26 HD2 ARG 17 HD2 ARG 17 -24.813 -19.127 4.790 27 HD3 ARG 17 HD3 ARG 17 -23.440 -18.087 5.138 28 HE ARG 17 HE ARG 17 -25.545 -16.474 4.169 29 HH11 ARG 17 HH11 ARG 17 -24.375 -18.119 7.019 30 HH12 ARG 17 HH12 ARG 17 -25.249 -17.070 8.084 31 HH21 ARG 17 HH21 ARG 17 -26.818 -15.316 5.578 32 HH22 ARG 17 HH22 ARG 17 -26.512 -15.445 7.283 33 H ILE 18 H ILE 18 -20.522 -15.826 2.011 34 HA ILE 18 HA ILE 18 -21.080 -13.052 1.662 35 HB ILE 18 HB ILE 18 -18.510 -14.646 1.822 36 HG12 ILE 18 HG12 ILE 18 -19.884 -14.700 3.871 37 HG13 ILE 18 HG13 ILE 18 -18.406 -13.781 4.115 38 HG21 ILE 18 HG21 ILE 18 -17.538 -12.343 2.455 39 HG22 ILE 18 HG22 ILE 18 -18.969 -11.664 1.689 40 HG23 ILE 18 HG23 ILE 18 -17.849 -12.646 0.749 41 HD11 ILE 18 HD11 ILE 18 -20.025 -11.776 3.331 42 HD12 ILE 18 HD12 ILE 18 -19.878 -12.276 5.015 43 HD13 ILE 18 HD13 ILE 18 -21.228 -12.850 4.040 44 H ASP 19 H ASP 19 -19.520 -15.511 -0.304 45 HA ASP 19 HA ASP 19 -18.501 -13.819 -2.337 46 HB2 ASP 19 HB2 ASP 19 -19.042 -16.773 -2.099 47 HB3 ASP 19 HB3 ASP 19 -18.626 -16.101 -3.675 48 H ILE 20 H ILE 20 -21.560 -15.621 -2.088 49 HA ILE 20 HA ILE 20 -22.621 -14.877 -4.605 50 HB ILE 20 HB ILE 20 -23.968 -15.499 -1.950 51 HG12 ILE 20 HG12 ILE 20 -23.727 -17.195 -4.454 52 HG13 ILE 20 HG13 ILE 20 -22.589 -17.285 -3.109 53 HG21 ILE 20 HG21 ILE 20 -25.602 -14.284 -3.188 54 HG22 ILE 20 HG22 ILE 20 -25.963 -15.981 -3.523 55 HG23 ILE 20 HG23 ILE 20 -25.091 -15.010 -4.719 56 HD11 ILE 20 HD11 ILE 20 -24.754 -17.590 -1.646 57 HD12 ILE 20 HD12 ILE 20 -24.118 -18.960 -2.550 58 HD13 ILE 20 HD13 ILE 20 -25.490 -18.054 -3.180 59 H LEU 21 H LEU 21 -22.714 -13.292 -1.457 60 HA LEU 21 HA LEU 21 -24.459 -11.151 -2.241 61 HB2 LEU 21 HB2 LEU 21 -22.797 -11.732 0.171 62 HB3 LEU 21 HB3 LEU 21 -23.375 -10.091 -0.112 63 HG LEU 21 HG LEU 21 -25.696 -10.999 -0.342 64 HD11 LEU 21 HD11 LEU 21 -24.770 -13.521 0.980 65 HD12 LEU 21 HD12 LEU 21 -24.743 -13.427 -0.780 66 HD13 LEU 21 HD13 LEU 21 -26.259 -13.208 0.089 67 HD21 LEU 21 HD21 LEU 21 -25.959 -11.522 2.102 68 HD22 LEU 21 HD22 LEU 21 -25.063 -10.039 1.773 69 HD23 LEU 21 HD23 LEU 21 -24.200 -11.509 2.231 70 H PHE 22 H PHE 22 -20.988 -11.675 -2.036 71 HA PHE 22 HA PHE 22 -20.110 -9.056 -2.512 72 HB2 PHE 22 HB2 PHE 22 -18.625 -10.886 -1.762 73 HB3 PHE 22 HB3 PHE 22 -18.830 -11.687 -3.315 74 HD1 PHE 22 HD1 PHE 22 -17.432 -8.665 -1.657 75 HD2 PHE 22 HD2 PHE 22 -17.630 -10.975 -5.267 76 HE1 PHE 22 HE1 PHE 22 -15.522 -7.413 -2.566 77 HE2 PHE 22 HE2 PHE 22 -15.655 -9.775 -6.136 78 HZ PHE 22 HZ PHE 22 -14.860 -7.738 -4.956 79 H SER 23 H SER 23 -20.816 -11.706 -4.773 80 HA SER 23 HA SER 23 -20.163 -10.318 -7.149 81 HB2 SER 23 HB2 SER 23 -22.143 -12.558 -6.675 82 HB3 SER 23 HB3 SER 23 -21.553 -12.038 -8.258 83 HG SER 23 HG SER 23 -19.389 -12.387 -7.172 84 H LEU 24 H LEU 24 -23.231 -10.693 -5.407 85 HA LEU 24 HA LEU 24 -24.824 -9.241 -7.209 86 HB2 LEU 24 HB2 LEU 24 -25.128 -9.687 -4.234 87 HB3 LEU 24 HB3 LEU 24 -26.342 -8.881 -5.221 88 HG LEU 24 HG LEU 24 -25.270 -11.653 -5.841 89 HD11 LEU 24 HD11 LEU 24 -27.120 -12.587 -4.710 90 HD12 LEU 24 HD12 LEU 24 -27.960 -11.038 -4.635 91 HD13 LEU 24 HD13 LEU 24 -26.560 -11.330 -3.602 92 HD21 LEU 24 HD21 LEU 24 -26.299 -11.075 -7.805 93 HD22 LEU 24 HD22 LEU 24 -27.221 -9.775 -7.049 94 HD23 LEU 24 HD23 LEU 24 -27.776 -11.442 -6.912 95 H ALA 25 H ALA 25 -23.005 -8.221 -4.367 96 HA ALA 25 HA ALA 25 -23.848 -5.531 -4.334 97 HB1 ALA 25 HB1 ALA 25 -21.846 -5.138 -2.941 98 HB2 ALA 25 HB2 ALA 25 -21.232 -6.732 -3.380 99 HB3 ALA 25 HB3 ALA 25 -22.713 -6.588 -2.433 100 H GLU 26 H GLU 26 -21.169 -7.161 -5.964 101 HA GLU 26 HA GLU 26 -19.865 -4.815 -6.808 102 HB2 GLU 26 HB2 GLU 26 -18.780 -7.008 -6.677 103 HB3 GLU 26 HB3 GLU 26 -19.745 -7.575 -8.039 104 HG2 GLU 26 HG2 GLU 26 -18.755 -5.853 -9.488 105 HG3 GLU 26 HG3 GLU 26 -17.832 -5.225 -8.127 106 H ARG 27 H ARG 27 -22.280 -6.823 -8.518 107 HA ARG 27 HA ARG 27 -22.132 -5.356 -10.952 108 HB2 ARG 27 HB2 ARG 27 -23.114 -7.617 -10.843 109 HB3 ARG 27 HB3 ARG 27 -24.447 -6.985 -9.879 110 HG2 ARG 27 HG2 ARG 27 -25.042 -5.441 -11.742 111 HG3 ARG 27 HG3 ARG 27 -23.718 -6.106 -12.694 112 HD2 ARG 27 HD2 ARG 27 -24.788 -8.358 -12.550 113 HD3 ARG 27 HD3 ARG 27 -26.142 -7.620 -11.700 114 HE ARG 27 HE ARG 27 -25.467 -7.316 -14.537 115 HH11 ARG 27 HH11 ARG 27 -27.226 -6.023 -11.835 116 HH12 ARG 27 HH12 ARG 27 -28.514 -5.431 -12.831 117 HH21 ARG 27 HH21 ARG 27 -27.374 -6.845 -15.720 118 HH22 ARG 27 HH22 ARG 27 -28.403 -5.619 -15.054 119 H VAL 28 H VAL 28 -24.270 -5.067 -8.152 120 HA VAL 28 HA VAL 28 -25.894 -3.010 -9.239 121 HB VAL 28 HB VAL 28 -26.602 -4.416 -7.357 122 HG11 VAL 28 HG11 VAL 28 -24.664 -2.791 -5.703 123 HG12 VAL 28 HG12 VAL 28 -24.341 -4.433 -6.257 124 HG13 VAL 28 HG13 VAL 28 -25.676 -4.125 -5.148 125 HG21 VAL 28 HG21 VAL 28 -28.012 -2.651 -7.182 126 HG22 VAL 28 HG22 VAL 28 -26.715 -1.472 -7.345 127 HG23 VAL 28 HG23 VAL 28 -27.036 -2.220 -5.783 128 H PHE 29 H PHE 29 -22.854 -3.102 -7.605 129 HA PHE 29 HA PHE 29 -22.751 -0.653 -6.399 130 HB2 PHE 29 HB2 PHE 29 -21.110 -2.288 -5.918 131 HB3 PHE 29 HB3 PHE 29 -20.561 -2.366 -7.583 132 HD1 PHE 29 HD1 PHE 29 -21.075 0.017 -4.821 133 HD2 PHE 29 HD2 PHE 29 -18.515 -1.272 -7.983 134 HE1 PHE 29 HE1 PHE 29 -19.206 1.240 -3.820 135 HE2 PHE 29 HE2 PHE 29 -16.867 0.422 -7.309 136 HZ PHE 29 HZ PHE 29 -17.105 1.577 -5.123 137 HA PRO 30 HA PRO 30 -20.829 1.508 -10.309 138 HB2 PRO 30 HB2 PRO 30 -21.121 0.179 -12.695 139 HB3 PRO 30 HB3 PRO 30 -19.660 0.087 -11.696 140 HG2 PRO 30 HG2 PRO 30 -21.928 -1.834 -11.934 141 HG3 PRO 30 HG3 PRO 30 -20.194 -2.163 -11.829 142 HD2 PRO 30 HD2 PRO 30 -21.847 -2.408 -9.679 143 HD3 PRO 30 HD3 PRO 30 -20.148 -1.925 -9.508 144 H TYR 31 H TYR 31 -23.633 -0.605 -10.612 145 HA TYR 31 HA TYR 31 -25.103 0.966 -12.459 146 HB2 TYR 31 HB2 TYR 31 -25.683 -1.345 -12.041 147 HB3 TYR 31 HB3 TYR 31 -26.023 -0.993 -10.352 148 HD1 TYR 31 HD1 TYR 31 -27.094 -0.091 -13.820 149 HD2 TYR 31 HD2 TYR 31 -28.103 -0.113 -9.652 150 HE1 TYR 31 HE1 TYR 31 -29.424 0.542 -14.376 151 HE2 TYR 31 HE2 TYR 31 -30.510 0.156 -10.273 152 HH TYR 31 HH TYR 31 -31.313 2.005 -12.764 153 H SER 32 H SER 32 -25.069 0.847 -8.933 154 HA SER 32 HA SER 32 -25.758 3.612 -8.685 155 HB2 SER 32 HB2 SER 32 -28.002 2.511 -9.148 156 HB3 SER 32 HB3 SER 32 -27.819 1.684 -7.601 157 HG SER 32 HG SER 32 -28.966 3.730 -7.524 158 HA PRO 33 HA PRO 33 -23.262 2.501 -5.065 159 HB2 PRO 33 HB2 PRO 33 -23.980 5.328 -4.364 160 HB3 PRO 33 HB3 PRO 33 -22.404 4.518 -4.337 161 HG2 PRO 33 HG2 PRO 33 -23.017 6.217 -6.284 162 HG3 PRO 33 HG3 PRO 33 -22.116 4.730 -6.624 163 HD2 PRO 33 HD2 PRO 33 -25.015 5.329 -7.159 164 HD3 PRO 33 HD3 PRO 33 -23.839 4.428 -8.138 165 H GLU 34 H GLU 34 -26.320 4.284 -4.933 166 HA GLU 34 HA GLU 34 -26.816 3.928 -2.198 167 HB2 GLU 34 HB2 GLU 34 -27.890 5.666 -3.510 168 HB3 GLU 34 HB3 GLU 34 -28.723 4.448 -4.476 169 HG2 GLU 34 HG2 GLU 34 -30.286 5.272 -2.841 170 HG3 GLU 34 HG3 GLU 34 -29.835 3.637 -2.376 171 H LEU 35 H LEU 35 -27.906 2.063 -4.993 172 HA LEU 35 HA LEU 35 -29.468 0.148 -3.566 173 HB2 LEU 35 HB2 LEU 35 -28.075 0.049 -6.241 174 HB3 LEU 35 HB3 LEU 35 -29.085 -1.264 -5.630 175 HG LEU 35 HG LEU 35 -30.035 1.597 -5.913 176 HD11 LEU 35 HD11 LEU 35 -29.922 -0.648 -7.863 177 HD12 LEU 35 HD12 LEU 35 -29.897 1.093 -8.149 178 HD13 LEU 35 HD13 LEU 35 -31.420 0.277 -7.810 179 HD21 LEU 35 HD21 LEU 35 -31.271 -0.996 -5.084 180 HD22 LEU 35 HD22 LEU 35 -32.272 0.162 -5.963 181 HD23 LEU 35 HD23 LEU 35 -31.523 0.629 -4.438 182 H ALA 36 H ALA 36 -26.115 0.310 -4.572 183 HA ALA 36 HA ALA 36 -25.252 -2.195 -3.615 184 HB1 ALA 36 HB1 ALA 36 -23.304 0.018 -3.437 185 HB2 ALA 36 HB2 ALA 36 -24.076 -0.166 -5.010 186 HB3 ALA 36 HB3 ALA 36 -23.188 -1.514 -4.300 187 H LYS 37 H LYS 37 -25.567 0.933 -2.068 188 HA LYS 37 HA LYS 37 -24.275 0.407 0.337 189 HB2 LYS 37 HB2 LYS 37 -24.925 2.630 -0.263 190 HB3 LYS 37 HB3 LYS 37 -26.610 2.168 -0.427 191 HG2 LYS 37 HG2 LYS 37 -26.286 3.438 1.625 192 HG3 LYS 37 HG3 LYS 37 -26.737 1.787 2.004 193 HD2 LYS 37 HD2 LYS 37 -24.489 1.233 2.641 194 HD3 LYS 37 HD3 LYS 37 -23.875 2.770 2.019 195 HE2 LYS 37 HE2 LYS 37 -25.026 4.009 3.718 196 HE3 LYS 37 HE3 LYS 37 -26.004 2.612 4.170 197 HZ1 LYS 37 HZ1 LYS 37 -24.406 1.840 5.483 198 HZ2 LYS 37 HZ2 LYS 37 -23.696 3.378 5.364 199 HZ3 LYS 37 HZ3 LYS 37 -23.187 2.123 4.337 200 H ARG 38 H ARG 38 -27.678 -0.225 -0.547 201 HA ARG 38 HA ARG 38 -28.408 -1.071 2.109 202 HB2 ARG 38 HB2 ARG 38 -29.694 -1.380 -0.611 203 HB3 ARG 38 HB3 ARG 38 -30.408 -2.028 0.870 204 HG2 ARG 38 HG2 ARG 38 -30.379 0.230 1.875 205 HG3 ARG 38 HG3 ARG 38 -29.637 0.865 0.411 206 HD2 ARG 38 HD2 ARG 38 -31.618 0.263 -0.899 207 HD3 ARG 38 HD3 ARG 38 -32.379 -0.421 0.534 208 HE ARG 38 HE ARG 38 -31.571 2.325 0.915 209 HH11 ARG 38 HH11 ARG 38 -34.039 0.299 -0.461 210 HH12 ARG 38 HH12 ARG 38 -35.316 1.343 0.075 211 HH21 ARG 38 HH21 ARG 38 -33.182 3.950 0.805 212 HH22 ARG 38 HH22 ARG 38 -34.714 3.549 0.095 213 H TYR 39 H TYR 39 -27.370 -2.728 -0.859 214 HA TYR 39 HA TYR 39 -27.871 -5.345 0.067 215 HB2 TYR 39 HB2 TYR 39 -26.089 -4.310 -2.125 216 HB3 TYR 39 HB3 TYR 39 -26.303 -6.030 -1.798 217 HD1 TYR 39 HD1 TYR 39 -28.729 -6.916 -1.672 218 HD2 TYR 39 HD2 TYR 39 -27.432 -3.522 -3.875 219 HE1 TYR 39 HE1 TYR 39 -30.974 -6.742 -2.705 220 HE2 TYR 39 HE2 TYR 39 -29.653 -3.352 -4.975 221 HH TYR 39 HH TYR 39 -31.720 -6.047 -5.019 222 H VAL 40 H VAL 40 -24.850 -3.472 0.052 223 HA VAL 40 HA VAL 40 -23.277 -5.560 1.136 224 HB VAL 40 HB VAL 40 -22.859 -2.586 1.052 225 HG11 VAL 40 HG11 VAL 40 -20.445 -3.225 1.606 226 HG12 VAL 40 HG12 VAL 40 -21.044 -4.825 2.038 227 HG13 VAL 40 HG13 VAL 40 -21.567 -3.414 2.953 228 HG21 VAL 40 HG21 VAL 40 -21.862 -4.939 -0.546 229 HG22 VAL 40 HG22 VAL 40 -21.039 -3.380 -0.566 230 HG23 VAL 40 HG23 VAL 40 -22.705 -3.500 -1.127 231 H GLU 41 H GLU 41 -25.057 -2.909 2.581 232 HA GLU 41 HA GLU 41 -24.024 -3.155 5.215 233 HB2 GLU 41 HB2 GLU 41 -25.163 -1.119 4.338 234 HB3 GLU 41 HB3 GLU 41 -26.682 -2.007 4.313 235 HG2 GLU 41 HG2 GLU 41 -26.530 -2.353 6.755 236 HG3 GLU 41 HG3 GLU 41 -24.990 -1.504 6.776 237 H LEU 42 H LEU 42 -26.875 -4.476 3.600 238 HA LEU 42 HA LEU 42 -27.604 -6.371 5.525 239 HB2 LEU 42 HB2 LEU 42 -28.913 -5.999 3.569 240 HB3 LEU 42 HB3 LEU 42 -27.579 -6.405 2.504 241 HG LEU 42 HG LEU 42 -27.649 -8.739 3.309 242 HD11 LEU 42 HD11 LEU 42 -28.832 -8.000 5.563 243 HD12 LEU 42 HD12 LEU 42 -29.219 -9.559 4.836 244 HD13 LEU 42 HD13 LEU 42 -30.301 -8.187 4.608 245 HD21 LEU 42 HD21 LEU 42 -29.790 -9.309 2.193 246 HD22 LEU 42 HD22 LEU 42 -28.923 -8.038 1.328 247 HD23 LEU 42 HD23 LEU 42 -30.304 -7.630 2.343 248 H ALA 43 H ALA 43 -25.060 -6.647 2.983 249 HA ALA 43 HA ALA 43 -24.340 -9.272 3.619 250 HB1 ALA 43 HB1 ALA 43 -22.621 -9.018 2.120 251 HB2 ALA 43 HB2 ALA 43 -22.191 -7.414 2.708 252 HB3 ALA 43 HB3 ALA 43 -23.598 -7.623 1.665 253 H LEU 44 H LEU 44 -23.246 -6.227 4.999 254 HA LEU 44 HA LEU 44 -21.015 -7.238 6.440 255 HB2 LEU 44 HB2 LEU 44 -22.737 -4.783 6.637 256 HB3 LEU 44 HB3 LEU 44 -21.543 -5.132 7.874 257 HG LEU 44 HG LEU 44 -21.112 -3.756 5.509 258 HD11 LEU 44 HD11 LEU 44 -19.017 -5.195 7.144 259 HD12 LEU 44 HD12 LEU 44 -19.815 -3.709 7.656 260 HD13 LEU 44 HD13 LEU 44 -18.808 -3.713 6.210 261 HD21 LEU 44 HD21 LEU 44 -21.113 -5.977 4.282 262 HD22 LEU 44 HD22 LEU 44 -19.657 -6.382 5.193 263 HD23 LEU 44 HD23 LEU 44 -19.663 -5.000 4.102 264 H LEU 45 H LEU 45 -24.408 -6.704 7.321 265 HA LEU 45 HA LEU 45 -24.258 -7.615 9.983 266 HB2 LEU 45 HB2 LEU 45 -26.176 -6.357 9.145 267 HB3 LEU 45 HB3 LEU 45 -26.582 -7.664 8.038 268 HG LEU 45 HG LEU 45 -26.823 -9.186 10.038 269 HD11 LEU 45 HD11 LEU 45 -25.811 -8.346 11.897 270 HD12 LEU 45 HD12 LEU 45 -27.373 -7.573 12.151 271 HD13 LEU 45 HD13 LEU 45 -26.054 -6.669 11.409 272 HD21 LEU 45 HD21 LEU 45 -28.572 -6.812 9.506 273 HD22 LEU 45 HD22 LEU 45 -28.968 -7.870 10.859 274 HD23 LEU 45 HD23 LEU 45 -28.882 -8.525 9.224 275 H VAL 46 H VAL 46 -24.855 -9.273 6.937 276 HA VAL 46 HA VAL 46 -25.370 -11.856 7.979 277 HB VAL 46 HB VAL 46 -24.267 -10.929 5.315 278 HG11 VAL 46 HG11 VAL 46 -23.556 -13.133 5.270 279 HG12 VAL 46 HG12 VAL 46 -25.232 -13.369 4.772 280 HG13 VAL 46 HG13 VAL 46 -24.764 -13.650 6.449 281 HG21 VAL 46 HG21 VAL 46 -26.484 -11.075 4.550 282 HG22 VAL 46 HG22 VAL 46 -26.700 -10.431 6.175 283 HG23 VAL 46 HG23 VAL 46 -26.962 -12.145 5.865 284 H GLN 47 H GLN 47 -22.375 -10.194 7.043 285 HA GLN 47 HA GLN 47 -20.703 -12.458 7.066 286 HB2 GLN 47 HB2 GLN 47 -20.161 -10.292 5.986 287 HB3 GLN 47 HB3 GLN 47 -20.020 -9.545 7.572 288 HG2 GLN 47 HG2 GLN 47 -18.176 -11.104 8.135 289 HG3 GLN 47 HG3 GLN 47 -18.303 -11.814 6.527 290 HE21 GLN 47 HE21 GLN 47 -16.805 -10.922 5.060 291 HE22 GLN 47 HE22 GLN 47 -16.335 -9.291 5.059 292 H GLN 48 H GLN 48 -21.271 -9.995 9.628 293 HA GLN 48 HA GLN 48 -19.653 -11.324 11.534 294 HB2 GLN 48 HB2 GLN 48 -20.631 -9.897 13.200 295 HB3 GLN 48 HB3 GLN 48 -20.251 -8.962 11.759 296 HG2 GLN 48 HG2 GLN 48 -22.616 -9.074 11.055 297 HG3 GLN 48 HG3 GLN 48 -23.004 -10.014 12.493 298 HE21 GLN 48 HE21 GLN 48 -24.173 -7.414 11.917 299 HE22 GLN 48 HE22 GLN 48 -23.568 -6.280 13.025 300 H LYS 49 H LYS 49 -23.130 -11.543 10.873 301 HA LYS 49 HA LYS 49 -23.771 -13.216 13.070 302 HB2 LYS 49 HB2 LYS 49 -25.144 -12.875 10.393 303 HB3 LYS 49 HB3 LYS 49 -25.804 -13.803 11.731 304 HG2 LYS 49 HG2 LYS 49 -25.079 -10.862 11.862 305 HG3 LYS 49 HG3 LYS 49 -26.703 -11.474 11.596 306 HD2 LYS 49 HD2 LYS 49 -26.616 -12.626 13.800 307 HD3 LYS 49 HD3 LYS 49 -24.994 -11.991 14.057 308 HE2 LYS 49 HE2 LYS 49 -25.862 -9.692 13.961 309 HE3 LYS 49 HE3 LYS 49 -27.487 -10.306 13.669 310 HZ1 LYS 49 HZ1 LYS 49 -27.057 -9.749 16.013 311 HZ2 LYS 49 HZ2 LYS 49 -25.862 -10.952 16.072 312 HZ3 LYS 49 HZ3 LYS 49 -27.481 -11.378 15.796 313 H ALA 50 H ALA 50 -22.845 -13.951 9.732 314 HA ALA 50 HA ALA 50 -23.005 -16.790 10.077 315 HB1 ALA 50 HB1 ALA 50 -21.494 -15.154 8.024 316 HB2 ALA 50 HB2 ALA 50 -23.161 -15.695 7.874 317 HB3 ALA 50 HB3 ALA 50 -21.857 -16.878 7.911 318 H LYS 51 H LYS 51 -20.833 -14.435 11.135 319 HA LYS 51 HA LYS 51 -18.776 -14.480 12.114 320 HB2 LYS 51 HB2 LYS 51 -20.237 -16.403 13.326 321 HB3 LYS 51 HB3 LYS 51 -18.900 -17.385 12.733 322 HG2 LYS 51 HG2 LYS 51 -17.291 -15.905 13.819 323 HG3 LYS 51 HG3 LYS 51 -18.588 -14.815 14.310 324 HD2 LYS 51 HD2 LYS 51 -19.582 -16.583 15.694 325 HD3 LYS 51 HD3 LYS 51 -18.310 -17.703 15.195 326 HE2 LYS 51 HE2 LYS 51 -16.615 -16.206 16.175 327 HE3 LYS 51 HE3 LYS 51 -17.885 -15.081 16.666 328 HZ1 LYS 51 HZ1 LYS 51 -17.730 -17.905 17.549 329 HZ2 LYS 51 HZ2 LYS 51 -18.800 -16.710 18.115 330 HZ3 LYS 51 HZ3 LYS 51 -17.138 -16.595 18.455 331 H VAL 52 H VAL 52 -18.400 -14.397 9.615 332 HA VAL 52 HA VAL 52 -16.345 -16.431 8.971 333 HB VAL 52 HB VAL 52 -16.738 -15.642 6.573 334 HG11 VAL 52 HG11 VAL 52 -17.558 -17.796 7.181 335 HG12 VAL 52 HG12 VAL 52 -18.926 -16.975 6.426 336 HG13 VAL 52 HG13 VAL 52 -18.840 -17.108 8.182 337 HG21 VAL 52 HG21 VAL 52 -18.174 -13.636 7.662 338 HG22 VAL 52 HG22 VAL 52 -19.474 -14.797 7.419 339 HG23 VAL 52 HG23 VAL 52 -18.500 -14.266 6.050 340 H LYS 53 H LYS 53 -14.335 -15.748 8.832 341 HA LYS 53 HA LYS 53 -13.748 -12.888 8.935 342 HB2 LYS 53 HB2 LYS 53 -11.934 -15.313 8.952 343 HB3 LYS 53 HB3 LYS 53 -11.393 -13.655 9.193 344 HG2 LYS 53 HG2 LYS 53 -13.386 -15.103 10.962 345 HG3 LYS 53 HG3 LYS 53 -11.677 -14.903 11.334 346 HD2 LYS 53 HD2 LYS 53 -11.961 -12.444 11.309 347 HD3 LYS 53 HD3 LYS 53 -13.674 -12.640 10.949 348 HE2 LYS 53 HE2 LYS 53 -13.995 -13.867 13.057 349 HE3 LYS 53 HE3 LYS 53 -12.282 -13.684 13.437 350 HZ1 LYS 53 HZ1 LYS 53 -12.771 -11.189 13.054 351 HZ2 LYS 53 HZ2 LYS 53 -13.198 -11.904 14.533 352 HZ3 LYS 53 HZ3 LYS 53 -14.385 -11.631 13.347 353 H ILE 54 H ILE 54 -12.923 -11.713 7.304 354 HA ILE 54 HA ILE 54 -12.154 -13.108 4.807 355 HB ILE 54 HB ILE 54 -14.036 -10.799 5.245 356 HG12 ILE 54 HG12 ILE 54 -15.177 -12.120 3.309 357 HG13 ILE 54 HG13 ILE 54 -14.053 -13.408 3.742 358 HG21 ILE 54 HG21 ILE 54 -12.366 -11.358 2.789 359 HG22 ILE 54 HG22 ILE 54 -12.520 -9.842 3.680 360 HG23 ILE 54 HG23 ILE 54 -13.874 -10.442 2.726 361 HD11 ILE 54 HD11 ILE 54 -16.515 -13.033 4.887 362 HD12 ILE 54 HD12 ILE 54 -15.477 -12.188 6.034 363 HD13 ILE 54 HD13 ILE 54 -15.183 -13.888 5.662 364 HA PRO 55 HA PRO 55 -8.495 -10.856 6.167 365 HB2 PRO 55 HB2 PRO 55 -7.446 -12.001 3.598 366 HB3 PRO 55 HB3 PRO 55 -6.712 -11.977 5.214 367 HG2 PRO 55 HG2 PRO 55 -7.832 -14.180 4.253 368 HG3 PRO 55 HG3 PRO 55 -7.975 -13.737 5.963 369 HD2 PRO 55 HD2 PRO 55 -10.043 -13.557 3.794 370 HD3 PRO 55 HD3 PRO 55 -10.254 -13.906 5.525 371 H ARG 56 H ARG 56 -9.624 -10.808 2.779 372 HA ARG 56 HA ARG 56 -8.893 -7.966 2.681 373 HB2 ARG 56 HB2 ARG 56 -8.068 -10.097 0.721 374 HB3 ARG 56 HB3 ARG 56 -8.023 -8.374 0.339 375 HG2 ARG 56 HG2 ARG 56 -6.567 -7.984 2.298 376 HG3 ARG 56 HG3 ARG 56 -6.640 -9.698 2.695 377 HD2 ARG 56 HD2 ARG 56 -5.559 -10.263 0.577 378 HD3 ARG 56 HD3 ARG 56 -5.484 -8.559 0.138 379 HE ARG 56 HE ARG 56 -3.793 -8.231 1.742 380 HH11 ARG 56 HH11 ARG 56 -5.056 -11.474 1.894 381 HH12 ARG 56 HH12 ARG 56 -3.777 -12.014 2.934 382 HH21 ARG 56 HH21 ARG 56 -2.172 -8.987 3.081 383 HH22 ARG 56 HH22 ARG 56 -2.019 -10.698 3.320 384 H LYS 57 H LYS 57 -11.153 -10.430 1.487 385 HA LYS 57 HA LYS 57 -11.816 -9.109 -0.878 386 HB2 LYS 57 HB2 LYS 57 -13.559 -10.953 0.768 387 HB3 LYS 57 HB3 LYS 57 -13.980 -10.371 -0.829 388 HG2 LYS 57 HG2 LYS 57 -11.980 -11.476 -1.766 389 HG3 LYS 57 HG3 LYS 57 -11.552 -12.053 -0.154 390 HD2 LYS 57 HD2 LYS 57 -13.693 -13.247 0.016 391 HD3 LYS 57 HD3 LYS 57 -14.165 -12.672 -1.579 392 HE2 LYS 57 HE2 LYS 57 -12.252 -13.896 -2.569 393 HE3 LYS 57 HE3 LYS 57 -11.797 -14.458 -0.962 394 HZ1 LYS 57 HZ1 LYS 57 -14.562 -14.942 -1.627 395 HZ2 LYS 57 HZ2 LYS 57 -13.411 -15.984 -0.949 396 HZ3 LYS 57 HZ3 LYS 57 -13.465 -15.764 -2.630 397 H TRP 58 H TRP 58 -13.327 -8.782 2.324 398 HA TRP 58 HA TRP 58 -15.045 -6.646 1.230 399 HB2 TRP 58 HB2 TRP 58 -15.517 -8.639 3.360 400 HB3 TRP 58 HB3 TRP 58 -16.022 -7.000 3.750 401 HD1 TRP 58 HD1 TRP 58 -17.181 -9.995 1.957 402 HE1 TRP 58 HE1 TRP 58 -19.224 -9.448 0.463 403 HE3 TRP 58 HE3 TRP 58 -16.534 -5.016 1.561 404 HZ2 TRP 58 HZ2 TRP 58 -20.281 -7.078 -0.901 405 HZ3 TRP 58 HZ3 TRP 58 -17.804 -3.705 -0.101 406 HH2 TRP 58 HH2 TRP 58 -19.486 -4.816 -1.536 407 H LYS 59 H LYS 59 -12.578 -7.454 3.498 408 HA LYS 59 HA LYS 59 -12.767 -5.230 5.195 409 HB2 LYS 59 HB2 LYS 59 -11.532 -7.294 5.730 410 HB3 LYS 59 HB3 LYS 59 -10.324 -6.862 4.519 411 HG2 LYS 59 HG2 LYS 59 -9.793 -4.804 5.778 412 HG3 LYS 59 HG3 LYS 59 -11.053 -5.192 6.952 413 HD2 LYS 59 HD2 LYS 59 -9.896 -7.259 7.541 414 HD3 LYS 59 HD3 LYS 59 -8.619 -6.922 6.374 415 HE2 LYS 59 HE2 LYS 59 -7.896 -6.265 8.611 416 HE3 LYS 59 HE3 LYS 59 -8.094 -4.822 7.617 417 HZ1 LYS 59 HZ1 LYS 59 -9.180 -5.188 10.047 418 HZ2 LYS 59 HZ2 LYS 59 -10.470 -5.647 9.046 419 HZ3 LYS 59 HZ3 LYS 59 -9.780 -4.104 8.886 420 H ARG 60 H ARG 60 -10.875 -5.756 2.265 421 HA ARG 60 HA ARG 60 -9.662 -3.101 2.484 422 HB2 ARG 60 HB2 ARG 60 -9.066 -5.437 0.665 423 HB3 ARG 60 HB3 ARG 60 -8.182 -3.914 0.664 424 HG2 ARG 60 HG2 ARG 60 -8.476 -5.678 3.112 425 HG3 ARG 60 HG3 ARG 60 -7.097 -5.746 2.017 426 HD2 ARG 60 HD2 ARG 60 -7.986 -3.201 3.396 427 HD3 ARG 60 HD3 ARG 60 -6.782 -4.283 4.080 428 HE ARG 60 HE ARG 60 -6.018 -3.714 1.431 429 HH11 ARG 60 HH11 ARG 60 -6.137 -2.235 4.586 430 HH12 ARG 60 HH12 ARG 60 -5.226 -0.856 4.069 431 HH21 ARG 60 HH21 ARG 60 -4.436 -2.186 0.986 432 HH22 ARG 60 HH22 ARG 60 -4.112 -0.944 2.150 433 H ARG 61 H ARG 61 -12.453 -4.264 1.231 434 HA ARG 61 HA ARG 61 -12.281 -2.624 -1.221 435 HB2 ARG 61 HB2 ARG 61 -13.647 -5.277 -0.791 436 HB3 ARG 61 HB3 ARG 61 -13.944 -4.247 -2.195 437 HG2 ARG 61 HG2 ARG 61 -11.544 -4.313 -2.757 438 HG3 ARG 61 HG3 ARG 61 -11.240 -5.322 -1.342 439 HD2 ARG 61 HD2 ARG 61 -12.695 -7.083 -2.287 440 HD3 ARG 61 HD3 ARG 61 -12.995 -6.076 -3.702 441 HE ARG 61 HE ARG 61 -10.193 -6.488 -3.219 442 HH11 ARG 61 HH11 ARG 61 -12.992 -8.234 -4.251 443 HH12 ARG 61 HH12 ARG 61 -12.148 -9.093 -5.492 444 HH21 ARG 61 HH21 ARG 61 -9.095 -7.819 -4.626 445 HH22 ARG 61 HH22 ARG 61 -9.963 -8.575 -5.925 446 H TYR 62 H TYR 62 -13.267 -1.815 1.475 447 HA TYR 62 HA TYR 62 -15.846 -0.846 0.492 448 HB2 TYR 62 HB2 TYR 62 -17.170 -1.624 2.238 449 HB3 TYR 62 HB3 TYR 62 -16.129 -2.994 1.881 450 HD1 TYR 62 HD1 TYR 62 -13.652 -2.616 3.203 451 HD2 TYR 62 HD2 TYR 62 -17.383 -0.945 4.413 452 HE1 TYR 62 HE1 TYR 62 -12.804 -2.147 5.481 453 HE2 TYR 62 HE2 TYR 62 -16.744 -1.226 6.776 454 HH TYR 62 HH TYR 62 -14.348 -2.670 8.026 455 H CYS 63 H CYS 63 -16.748 0.959 1.724 456 HA CYS 63 HA CYS 63 -14.667 2.596 3.005 457 HB2 CYS 63 HB2 CYS 63 -15.787 4.075 1.624 458 HB3 CYS 63 HB3 CYS 63 -17.285 3.169 1.727 459 H LYS 64 H LYS 64 -14.936 3.466 5.075 460 HA LYS 64 HA LYS 64 -15.919 1.635 6.977 461 HB2 LYS 64 HB2 LYS 64 -15.082 4.538 7.181 462 HB3 LYS 64 HB3 LYS 64 -15.449 3.541 8.588 463 HG2 LYS 64 HG2 LYS 64 -13.667 1.960 7.925 464 HG3 LYS 64 HG3 LYS 64 -13.328 2.936 6.494 465 HD2 LYS 64 HD2 LYS 64 -12.674 4.830 7.878 466 HD3 LYS 64 HD3 LYS 64 -13.118 3.954 9.340 467 HE2 LYS 64 HE2 LYS 64 -10.702 3.896 9.002 468 HE3 LYS 64 HE3 LYS 64 -11.352 2.270 8.820 469 HZ1 LYS 64 HZ1 LYS 64 -11.490 3.158 6.307 470 HZ2 LYS 64 HZ2 LYS 64 -10.134 2.344 6.917 471 HZ3 LYS 64 HZ3 LYS 64 -10.149 4.039 6.860 472 H LYS 65 H LYS 65 -17.241 4.808 5.970 473 HA LYS 65 HA LYS 65 -19.644 4.318 7.447 474 HB2 LYS 65 HB2 LYS 65 -18.800 6.553 7.335 475 HB3 LYS 65 HB3 LYS 65 -19.003 6.589 5.589 476 HG2 LYS 65 HG2 LYS 65 -21.426 6.158 5.858 477 HG3 LYS 65 HG3 LYS 65 -21.230 6.084 7.601 478 HD2 LYS 65 HD2 LYS 65 -20.516 8.465 7.612 479 HD3 LYS 65 HD3 LYS 65 -20.754 8.524 5.866 480 HE2 LYS 65 HE2 LYS 65 -23.119 7.949 6.138 481 HE3 LYS 65 HE3 LYS 65 -22.916 7.820 7.883 482 HZ1 LYS 65 HZ1 LYS 65 -21.905 10.262 7.328 483 HZ2 LYS 65 HZ2 LYS 65 -23.485 9.960 7.876 484 HZ3 LYS 65 HZ3 LYS 65 -23.184 10.163 6.218 485 H CYS 66 H CYS 66 -18.770 3.679 4.085 486 HA CYS 66 HA CYS 66 -21.478 4.034 3.055 487 HB2 CYS 66 HB2 CYS 66 -19.025 2.620 1.970 488 HB3 CYS 66 HB3 CYS 66 -20.594 2.509 1.220 489 H HIS 67 H HIS 67 -19.354 1.462 4.186 490 HA HIS 67 HA HIS 67 -19.657 -0.806 4.431 491 HB2 HIS 67 HB2 HIS 67 -22.583 -0.032 4.641 492 HB3 HIS 67 HB3 HIS 67 -21.943 -1.642 4.970 493 HD1 HIS 67 HD1 HIS 67 -19.984 -1.758 6.839 494 HD2 HIS 67 HD2 HIS 67 -22.320 1.708 6.820 495 HE1 HIS 67 HE1 HIS 67 -19.364 -0.420 8.912 496 HE2 HIS 67 HE2 HIS 67 -20.667 1.750 8.829 497 H ALA 68 H ALA 68 -19.390 0.439 1.982 498 HA ALA 68 HA ALA 68 -20.879 -1.272 0.090 499 HB1 ALA 68 HB1 ALA 68 -20.130 1.591 -0.435 500 HB2 ALA 68 HB2 ALA 68 -21.737 1.141 0.157 501 HB3 ALA 68 HB3 ALA 68 -21.174 0.559 -1.411 502 H PHE 69 H PHE 69 -19.782 -1.434 -2.004 503 HA PHE 69 HA PHE 69 -17.126 -2.322 -1.659 504 HB2 PHE 69 HB2 PHE 69 -18.923 -2.837 -3.539 505 HB3 PHE 69 HB3 PHE 69 -18.129 -1.502 -4.366 506 HD1 PHE 69 HD1 PHE 69 -15.520 -1.616 -4.588 507 HD2 PHE 69 HD2 PHE 69 -18.104 -4.958 -3.904 508 HE1 PHE 69 HE1 PHE 69 -13.622 -3.298 -4.797 509 HE2 PHE 69 HE2 PHE 69 -16.710 -6.135 -5.605 510 HZ PHE 69 HZ PHE 69 -14.382 -5.412 -5.973 511 H LEU 70 H LEU 70 -15.195 -1.227 -1.818 512 HA LEU 70 HA LEU 70 -15.377 1.648 -2.521 513 HB2 LEU 70 HB2 LEU 70 -14.531 0.785 -0.233 514 HB3 LEU 70 HB3 LEU 70 -13.084 0.313 -1.108 515 HG LEU 70 HG LEU 70 -12.748 2.486 -0.098 516 HD11 LEU 70 HD11 LEU 70 -11.964 3.697 -1.958 517 HD12 LEU 70 HD12 LEU 70 -13.231 3.069 -3.013 518 HD13 LEU 70 HD13 LEU 70 -11.915 2.015 -2.484 519 HD21 LEU 70 HD21 LEU 70 -14.723 3.918 -1.758 520 HD22 LEU 70 HD22 LEU 70 -14.252 4.188 -0.082 521 HD23 LEU 70 HD23 LEU 70 -15.419 2.927 -0.476 522 H VAL 71 H VAL 71 -15.167 1.630 -4.663 523 HA VAL 71 HA VAL 71 -12.397 1.271 -5.586 524 HB VAL 71 HB VAL 71 -14.924 0.546 -7.082 525 HG11 VAL 71 HG11 VAL 71 -13.457 0.193 -9.063 526 HG12 VAL 71 HG12 VAL 71 -12.132 0.957 -8.184 527 HG13 VAL 71 HG13 VAL 71 -13.577 1.885 -8.587 528 HG21 VAL 71 HG21 VAL 71 -14.039 -1.626 -7.215 529 HG22 VAL 71 HG22 VAL 71 -13.628 -1.119 -5.579 530 HG23 VAL 71 HG23 VAL 71 -12.401 -1.082 -6.842 531 HA PRO 72 HA PRO 72 -13.164 5.631 -6.369 532 HB2 PRO 72 HB2 PRO 72 -10.898 5.500 -8.283 533 HB3 PRO 72 HB3 PRO 72 -11.140 6.539 -6.872 534 HG2 PRO 72 HG2 PRO 72 -9.409 4.488 -6.883 535 HG3 PRO 72 HG3 PRO 72 -10.270 5.007 -5.426 536 HD2 PRO 72 HD2 PRO 72 -10.763 2.611 -7.146 537 HD3 PRO 72 HD3 PRO 72 -10.995 2.808 -5.395 538 H GLY 73 H GLY 73 -14.223 6.830 -7.848 539 HA2 GLY 73 HA2 GLY 73 -14.847 7.525 -10.029 540 HA3 GLY 73 HA3 GLY 73 -14.367 5.950 -10.641 541 H ILE 74 H ILE 74 -16.025 4.897 -8.113 542 HA ILE 74 HA ILE 74 -18.355 4.560 -9.896 543 HB ILE 74 HB ILE 74 -17.133 2.638 -7.928 544 HG12 ILE 74 HG12 ILE 74 -17.707 2.423 -10.887 545 HG13 ILE 74 HG13 ILE 74 -16.156 2.985 -10.261 546 HG21 ILE 74 HG21 ILE 74 -19.358 2.081 -7.631 547 HG22 ILE 74 HG22 ILE 74 -19.058 1.198 -9.126 548 HG23 ILE 74 HG23 ILE 74 -19.840 2.779 -9.178 549 HD11 ILE 74 HD11 ILE 74 -17.417 0.324 -9.554 550 HD12 ILE 74 HD12 ILE 74 -15.794 0.861 -9.121 551 HD13 ILE 74 HD13 ILE 74 -16.191 0.534 -10.806 552 H ASN 75 H ASN 75 -17.940 3.856 -6.419 553 HA ASN 75 HA ASN 75 -20.446 5.341 -5.894 554 HB2 ASN 75 HB2 ASN 75 -20.475 4.245 -3.767 555 HB3 ASN 75 HB3 ASN 75 -20.115 3.022 -4.973 556 HD21 ASN 75 HD21 ASN 75 -19.351 3.289 -1.986 557 HD22 ASN 75 HD22 ASN 75 -17.802 2.608 -2.103 558 H ALA 76 H ALA 76 -17.234 5.869 -6.058 559 HA ALA 76 HA ALA 76 -17.195 8.074 -4.178 560 HB1 ALA 76 HB1 ALA 76 -15.448 7.186 -2.789 561 HB2 ALA 76 HB2 ALA 76 -15.206 5.813 -3.873 562 HB3 ALA 76 HB3 ALA 76 -16.653 5.904 -2.876 563 H ARG 77 H ARG 77 -15.365 9.410 -4.564 564 HA ARG 77 HA ARG 77 -13.860 8.731 -7.011 565 HB2 ARG 77 HB2 ARG 77 -15.778 10.348 -7.437 566 HB3 ARG 77 HB3 ARG 77 -14.893 11.507 -6.445 567 HG2 ARG 77 HG2 ARG 77 -12.959 11.364 -7.920 568 HG3 ARG 77 HG3 ARG 77 -13.749 10.139 -8.907 569 HD2 ARG 77 HD2 ARG 77 -14.014 12.299 -9.989 570 HD3 ARG 77 HD3 ARG 77 -15.584 11.791 -9.383 571 HE ARG 77 HE ARG 77 -14.233 13.390 -7.437 572 HH11 ARG 77 HH11 ARG 77 -15.912 13.567 -10.482 573 HH12 ARG 77 HH12 ARG 77 -16.184 15.275 -10.337 574 HH21 ARG 77 HH21 ARG 77 -15.314 15.373 -7.018 575 HH22 ARG 77 HH22 ARG 77 -15.609 16.355 -8.416 576 H VAL 78 H VAL 78 -11.750 9.350 -7.117 577 HA VAL 78 HA VAL 78 -10.707 10.514 -4.617 578 HB VAL 78 HB VAL 78 -10.381 8.004 -4.799 579 HG11 VAL 78 HG11 VAL 78 -8.235 8.713 -6.794 580 HG12 VAL 78 HG12 VAL 78 -9.855 8.246 -7.319 581 HG13 VAL 78 HG13 VAL 78 -8.867 7.115 -6.391 582 HG21 VAL 78 HG21 VAL 78 -7.641 9.091 -4.762 583 HG22 VAL 78 HG22 VAL 78 -8.521 8.206 -3.516 584 HG23 VAL 78 HG23 VAL 78 -8.781 9.936 -3.712 585 H ARG 79 H ARG 79 -9.415 12.158 -4.846 586 HA ARG 79 HA ARG 79 -8.120 12.633 -7.474 587 HB2 ARG 79 HB2 ARG 79 -9.760 14.406 -6.634 588 HB3 ARG 79 HB3 ARG 79 -8.600 14.715 -5.341 589 HG2 ARG 79 HG2 ARG 79 -6.864 15.215 -7.027 590 HG3 ARG 79 HG3 ARG 79 -8.032 14.884 -8.310 591 HD2 ARG 79 HD2 ARG 79 -8.433 16.995 -6.174 592 HD3 ARG 79 HD3 ARG 79 -7.746 17.350 -7.750 593 HE ARG 79 HE ARG 79 -10.224 15.965 -8.061 594 HH11 ARG 79 HH11 ARG 79 -8.862 19.055 -7.258 595 HH12 ARG 79 HH12 ARG 79 -10.351 19.900 -7.535 596 HH21 ARG 79 HH21 ARG 79 -12.173 17.083 -8.308 597 HH22 ARG 79 HH22 ARG 79 -12.210 18.794 -8.027 598 H LEU 80 H LEU 80 -5.953 12.584 -7.510 599 HA LEU 80 HA LEU 80 -4.568 12.171 -4.926 600 HB2 LEU 80 HB2 LEU 80 -3.715 11.559 -7.771 601 HB3 LEU 80 HB3 LEU 80 -2.849 11.081 -6.312 602 HG LEU 80 HG LEU 80 -5.161 9.959 -5.675 603 HD11 LEU 80 HD11 LEU 80 -6.713 10.298 -7.301 604 HD12 LEU 80 HD12 LEU 80 -5.845 9.036 -8.173 605 HD13 LEU 80 HD13 LEU 80 -5.495 10.731 -8.501 606 HD21 LEU 80 HD21 LEU 80 -4.449 7.900 -6.954 607 HD22 LEU 80 HD22 LEU 80 -3.163 8.631 -5.990 608 HD23 LEU 80 HD23 LEU 80 -3.215 8.889 -7.736 609 H ARG 81 H ARG 81 -3.327 13.740 -4.187 610 HA ARG 81 HA ARG 81 -2.604 15.941 -6.010 611 HB2 ARG 81 HB2 ARG 81 -2.919 15.851 -3.017 612 HB3 ARG 81 HB3 ARG 81 -2.226 17.230 -3.875 613 HG2 ARG 81 HG2 ARG 81 -4.291 17.431 -5.206 614 HG3 ARG 81 HG3 ARG 81 -4.978 16.037 -4.368 615 HD2 ARG 81 HD2 ARG 81 -4.817 17.259 -2.216 616 HD3 ARG 81 HD3 ARG 81 -4.137 18.643 -3.074 617 HE ARG 81 HE ARG 81 -6.503 18.154 -4.372 618 HH11 ARG 81 HH11 ARG 81 -5.369 19.283 -1.345 619 HH12 ARG 81 HH12 ARG 81 -6.853 20.082 -0.941 620 HH21 ARG 81 HH21 ARG 81 -8.476 19.036 -3.794 621 HH22 ARG 81 HH22 ARG 81 -8.482 20.135 -2.449 622 H GLN 82 H GLN 82 -0.567 16.523 -6.381 623 HA GLN 82 HA GLN 82 1.533 14.892 -5.090 624 HB2 GLN 82 HB2 GLN 82 1.454 16.199 -7.806 625 HB3 GLN 82 HB3 GLN 82 2.918 15.506 -7.101 626 HG2 GLN 82 HG2 GLN 82 1.796 13.340 -6.862 627 HG3 GLN 82 HG3 GLN 82 0.296 14.013 -7.487 628 HE21 GLN 82 HE21 GLN 82 0.729 12.105 -9.120 629 HE22 GLN 82 HE22 GLN 82 1.769 12.415 -10.423 630 H LYS 83 H LYS 83 1.980 16.007 -3.419 631 HA LYS 83 HA LYS 83 3.558 18.478 -3.790 632 HB2 LYS 83 HB2 LYS 83 1.715 17.739 -1.480 633 HB3 LYS 83 HB3 LYS 83 2.857 19.085 -1.445 634 HG2 LYS 83 HG2 LYS 83 1.735 20.110 -3.366 635 HG3 LYS 83 HG3 LYS 83 0.602 18.762 -3.459 636 HD2 LYS 83 HD2 LYS 83 -0.229 19.313 -1.194 637 HD3 LYS 83 HD3 LYS 83 0.887 20.677 -1.119 638 HE2 LYS 83 HE2 LYS 83 -0.203 21.683 -3.093 639 HE3 LYS 83 HE3 LYS 83 -1.316 20.321 -3.180 640 HZ1 LYS 83 HZ1 LYS 83 -2.017 20.914 -0.882 641 HZ2 LYS 83 HZ2 LYS 83 -2.422 22.061 -2.064 642 HZ3 LYS 83 HZ3 LYS 83 -1.117 22.347 -1.022 643 H ARG 84 H ARG 84 5.196 18.395 -1.637 644 HA ARG 84 HA ARG 84 6.120 15.560 -1.545 645 HB2 ARG 84 HB2 ARG 84 7.807 17.421 -1.835 646 HB3 ARG 84 HB3 ARG 84 7.279 18.077 -0.292 647 HG2 ARG 84 HG2 ARG 84 8.007 15.942 0.814 648 HG3 ARG 84 HG3 ARG 84 8.586 15.394 -0.765 649 HD2 ARG 84 HD2 ARG 84 9.991 17.436 -0.929 650 HD3 ARG 84 HD3 ARG 84 9.513 17.869 0.707 651 HE ARG 84 HE ARG 84 10.717 15.229 0.425 652 HH11 ARG 84 HH11 ARG 84 11.485 18.654 0.737 653 HH12 ARG 84 HH12 ARG 84 12.647 18.305 1.973 654 HH21 ARG 84 HH21 ARG 84 12.737 14.961 1.417 655 HH22 ARG 84 HH22 ARG 84 13.808 16.326 1.410 656 H MET 85 H MET 85 3.525 16.278 -0.578 657 HA MET 85 HA MET 85 4.126 14.316 1.518 658 HB2 MET 85 HB2 MET 85 2.682 16.815 1.832 659 HB3 MET 85 HB3 MET 85 1.550 15.487 1.974 660 HG2 MET 85 HG2 MET 85 2.292 15.818 4.170 661 HG3 MET 85 HG3 MET 85 3.285 14.466 3.623 662 HE1 MET 85 HE1 MET 85 5.892 16.016 5.744 663 HE2 MET 85 HE2 MET 85 4.463 14.986 5.663 664 HE3 MET 85 HE3 MET 85 4.315 16.669 6.174 665 HA PRO 86 HA PRO 86 1.492 12.594 -1.866 666 HB2 PRO 86 HB2 PRO 86 1.539 10.067 -0.294 667 HB3 PRO 86 HB3 PRO 86 1.894 10.354 -2.006 668 HG2 PRO 86 HG2 PRO 86 3.793 9.880 -0.120 669 HG3 PRO 86 HG3 PRO 86 4.065 10.774 -1.622 670 HD2 PRO 86 HD2 PRO 86 3.936 11.788 1.151 671 HD3 PRO 86 HD3 PRO 86 4.661 12.526 -0.294 672 H HIS 87 H HIS 87 -0.698 12.680 -1.927 673 HA HIS 87 HA HIS 87 -2.289 11.906 0.400 674 HB2 HIS 87 HB2 HIS 87 -2.081 14.718 -0.635 675 HB3 HIS 87 HB3 HIS 87 -3.556 14.141 0.151 676 HD1 HIS 87 HD1 HIS 87 0.166 14.631 0.863 677 HD2 HIS 87 HD2 HIS 87 -3.383 13.837 2.926 678 HE1 HIS 87 HE1 HIS 87 0.808 13.789 3.178 679 HE2 HIS 87 HE2 HIS 87 -1.329 14.083 4.547 680 H ILE 88 H ILE 88 -4.273 11.164 -0.125 681 HA ILE 88 HA ILE 88 -5.387 11.944 -2.736 682 HB ILE 88 HB ILE 88 -6.438 9.745 -2.966 683 HG12 ILE 88 HG12 ILE 88 -4.749 8.898 -0.595 684 HG13 ILE 88 HG13 ILE 88 -6.468 9.272 -0.467 685 HG21 ILE 88 HG21 ILE 88 -3.475 9.389 -2.462 686 HG22 ILE 88 HG22 ILE 88 -4.099 10.297 -3.835 687 HG23 ILE 88 HG23 ILE 88 -4.472 8.584 -3.671 688 HD11 ILE 88 HD11 ILE 88 -5.106 6.945 -1.729 689 HD12 ILE 88 HD12 ILE 88 -6.554 7.547 -2.539 690 HD13 ILE 88 HD13 ILE 88 -6.641 7.011 -0.863 691 H VAL 89 H VAL 89 -7.564 12.464 -2.756 692 HA VAL 89 HA VAL 89 -8.910 12.461 -0.113 693 HB VAL 89 HB VAL 89 -10.293 14.329 -1.093 694 HG11 VAL 89 HG11 VAL 89 -7.627 14.379 -0.002 695 HG12 VAL 89 HG12 VAL 89 -8.922 15.561 0.200 696 HG13 VAL 89 HG13 VAL 89 -7.806 15.699 -1.156 697 HG21 VAL 89 HG21 VAL 89 -8.065 14.930 -2.975 698 HG22 VAL 89 HG22 VAL 89 -9.775 15.339 -3.087 699 HG23 VAL 89 HG23 VAL 89 -9.227 13.713 -3.492 700 H VAL 90 H VAL 90 -10.810 11.489 0.098 701 HA VAL 90 HA VAL 90 -11.923 10.182 -2.311 702 HB VAL 90 HB VAL 90 -11.380 9.049 0.438 703 HG11 VAL 90 HG11 VAL 90 -13.554 8.237 -0.066 704 HG12 VAL 90 HG12 VAL 90 -12.454 6.946 -0.544 705 HG13 VAL 90 HG13 VAL 90 -13.164 7.996 -1.770 706 HG21 VAL 90 HG21 VAL 90 -10.126 7.367 -0.831 707 HG22 VAL 90 HG22 VAL 90 -9.526 8.983 -1.197 708 HG23 VAL 90 HG23 VAL 90 -10.580 8.154 -2.343 709 H LYS 91 H LYS 91 -14.084 10.413 -2.545 710 HA LYS 91 HA LYS 91 -15.699 11.194 -0.210 711 HB2 LYS 91 HB2 LYS 91 -17.191 12.371 -2.014 712 HB3 LYS 91 HB3 LYS 91 -15.887 13.234 -1.230 713 HG2 LYS 91 HG2 LYS 91 -15.597 11.901 -3.922 714 HG3 LYS 91 HG3 LYS 91 -16.033 13.589 -3.711 715 HD2 LYS 91 HD2 LYS 91 -13.916 13.970 -2.486 716 HD3 LYS 91 HD3 LYS 91 -13.448 12.298 -2.770 717 HE2 LYS 91 HE2 LYS 91 -13.552 12.618 -5.168 718 HE3 LYS 91 HE3 LYS 91 -14.027 14.303 -4.953 719 HZ1 LYS 91 HZ1 LYS 91 -11.625 13.437 -3.546 720 HZ2 LYS 91 HZ2 LYS 91 -11.947 14.902 -4.345 721 HZ3 LYS 91 HZ3 LYS 91 -11.506 13.525 -5.240 722 H CYS 92 H CYS 92 -17.572 10.055 0.007 723 HA CYS 92 HA CYS 92 -18.176 8.082 -2.117 724 HB2 CYS 92 HB2 CYS 92 -19.796 8.040 0.318 725 HB3 CYS 92 HB3 CYS 92 -19.044 6.716 -0.557 726 H LEU 93 H LEU 93 -20.062 8.162 -3.222 727 HA LEU 93 HA LEU 93 -21.885 10.353 -3.070 728 HB2 LEU 93 HB2 LEU 93 -22.003 7.604 -4.318 729 HB3 LEU 93 HB3 LEU 93 -23.283 8.807 -4.505 730 HG LEU 93 HG LEU 93 -20.377 9.341 -5.164 731 HD11 LEU 93 HD11 LEU 93 -21.054 7.665 -6.706 732 HD12 LEU 93 HD12 LEU 93 -21.188 9.203 -7.554 733 HD13 LEU 93 HD13 LEU 93 -22.639 8.409 -6.939 734 HD21 LEU 93 HD21 LEU 93 -21.524 11.145 -6.594 735 HD22 LEU 93 HD22 LEU 93 -21.427 11.426 -4.861 736 HD23 LEU 93 HD23 LEU 93 -22.942 10.874 -5.581 737 H GLU 94 H GLU 94 -21.931 7.045 -1.727 738 HA GLU 94 HA GLU 94 -24.603 7.201 -0.761 739 HB2 GLU 94 HB2 GLU 94 -22.515 5.398 0.460 740 HB3 GLU 94 HB3 GLU 94 -24.244 5.131 0.296 741 HG2 GLU 94 HG2 GLU 94 -23.609 3.857 -1.481 742 HG3 GLU 94 HG3 GLU 94 -23.599 5.407 -2.310 743 H CYS 95 H CYS 95 -21.453 7.613 0.832 744 HA CYS 95 HA CYS 95 -22.571 8.330 3.362 745 HB2 CYS 95 HB2 CYS 95 -19.821 8.651 2.163 746 HB3 CYS 95 HB3 CYS 95 -20.226 9.314 3.740 747 H GLY 96 H GLY 96 -21.581 10.053 0.493 748 HA2 GLY 96 HA2 GLY 96 -22.096 12.222 -0.199 749 HA3 GLY 96 HA3 GLY 96 -22.933 12.481 1.325 750 H HIS 97 H HIS 97 -19.825 11.186 1.699 751 HA HIS 97 HA HIS 97 -18.938 13.784 2.770 752 HB2 HIS 97 HB2 HIS 97 -18.800 11.071 4.087 753 HB3 HIS 97 HB3 HIS 97 -17.983 12.521 4.683 754 HD1 HIS 97 HD1 HIS 97 -19.675 14.695 4.923 755 HD2 HIS 97 HD2 HIS 97 -21.235 10.861 5.414 756 HE1 HIS 97 HE1 HIS 97 -21.852 14.875 6.251 757 HE2 HIS 97 HE2 HIS 97 -23.114 12.703 5.612 758 H ILE 98 H ILE 98 -16.831 14.235 2.916 759 HA ILE 98 HA ILE 98 -15.037 12.704 1.163 760 HB ILE 98 HB ILE 98 -15.347 15.042 0.569 761 HG12 ILE 98 HG12 ILE 98 -12.991 15.823 0.640 762 HG13 ILE 98 HG13 ILE 98 -12.629 14.566 1.816 763 HG21 ILE 98 HG21 ILE 98 -13.973 16.219 2.855 764 HG22 ILE 98 HG22 ILE 98 -15.493 15.463 3.325 765 HG23 ILE 98 HG23 ILE 98 -15.480 16.709 2.081 766 HD11 ILE 98 HD11 ILE 98 -13.909 13.378 -0.470 767 HD12 ILE 98 HD12 ILE 98 -12.315 13.061 0.211 768 HD13 ILE 98 HD13 ILE 98 -12.519 14.339 -0.985 769 H MET 99 H MET 99 -13.503 11.541 1.944 770 HA MET 99 HA MET 99 -12.323 12.221 4.576 771 HB2 MET 99 HB2 MET 99 -12.668 9.524 3.252 772 HB3 MET 99 HB3 MET 99 -11.685 9.793 4.691 773 HG2 MET 99 HG2 MET 99 -13.689 10.675 5.872 774 HG3 MET 99 HG3 MET 99 -14.659 10.362 4.435 775 HE1 MET 99 HE1 MET 99 -14.836 8.405 3.294 776 HE2 MET 99 HE2 MET 99 -15.452 6.999 4.158 777 HE3 MET 99 HE3 MET 99 -13.789 7.013 3.574 778 H ARG 100 H ARG 100 -10.096 12.220 4.693 779 HA ARG 100 HA ARG 100 -8.631 12.127 2.131 780 HB2 ARG 100 HB2 ARG 100 -7.931 13.396 4.794 781 HB3 ARG 100 HB3 ARG 100 -6.877 13.379 3.379 782 HG2 ARG 100 HG2 ARG 100 -8.576 14.581 2.075 783 HG3 ARG 100 HG3 ARG 100 -9.668 14.573 3.453 784 HD2 ARG 100 HD2 ARG 100 -6.910 15.860 3.461 785 HD3 ARG 100 HD3 ARG 100 -8.415 16.730 3.180 786 HE ARG 100 HE ARG 100 -7.481 15.613 5.721 787 HH11 ARG 100 HH11 ARG 100 -10.270 16.608 3.911 788 HH12 ARG 100 HH12 ARG 100 -11.157 17.048 5.331 789 HH21 ARG 100 HH21 ARG 100 -8.632 16.285 7.523 790 HH22 ARG 100 HH22 ARG 100 -10.203 16.992 7.330 791 H TYR 101 H TYR 101 -7.127 10.591 1.775 792 HA TYR 101 HA TYR 101 -6.202 8.994 4.088 793 HB2 TYR 101 HB2 TYR 101 -6.966 8.246 1.337 794 HB3 TYR 101 HB3 TYR 101 -5.464 7.521 1.903 795 HD1 TYR 101 HD1 TYR 101 -8.675 8.396 3.665 796 HD2 TYR 101 HD2 TYR 101 -6.215 5.254 2.167 797 HE1 TYR 101 HE1 TYR 101 -9.900 6.758 5.085 798 HE2 TYR 101 HE2 TYR 101 -7.321 3.635 3.691 799 HH TYR 101 HH TYR 101 -9.935 3.639 4.213 800 HA PRO 102 HA PRO 102 -2.392 11.267 2.905 801 HB2 PRO 102 HB2 PRO 102 -1.156 10.912 5.288 802 HB3 PRO 102 HB3 PRO 102 -2.329 12.215 5.021 803 HG2 PRO 102 HG2 PRO 102 -2.682 9.657 6.467 804 HG3 PRO 102 HG3 PRO 102 -3.378 11.252 6.789 805 HD2 PRO 102 HD2 PRO 102 -4.702 9.160 5.497 806 HD3 PRO 102 HD3 PRO 102 -5.166 10.872 5.420 807 H TYR 103 H TYR 103 -0.639 10.303 1.998 808 HA TYR 103 HA TYR 103 0.389 7.855 3.268 809 HB2 TYR 103 HB2 TYR 103 0.382 8.452 0.307 810 HB3 TYR 103 HB3 TYR 103 1.302 7.149 1.064 811 HD1 TYR 103 HD1 TYR 103 -2.115 8.415 0.329 812 HD2 TYR 103 HD2 TYR 103 0.078 5.386 2.381 813 HE1 TYR 103 HE1 TYR 103 -4.095 6.920 0.249 814 HE2 TYR 103 HE2 TYR 103 -1.844 3.842 2.193 815 HH TYR 103 HH TYR 103 -4.107 3.782 1.786 816 H ILE 104 H ILE 104 2.535 7.794 3.682 817 HA ILE 104 HA ILE 104 4.134 10.173 2.942 818 HB ILE 104 HB ILE 104 4.280 8.525 5.476 819 HG12 ILE 104 HG12 ILE 104 3.656 11.475 5.088 820 HG13 ILE 104 HG13 ILE 104 2.422 10.231 5.236 821 HG21 ILE 104 HG21 ILE 104 5.980 10.376 6.069 822 HG22 ILE 104 HG22 ILE 104 6.072 10.667 4.333 823 HG23 ILE 104 HG23 ILE 104 6.519 9.093 4.988 824 HD11 ILE 104 HD11 ILE 104 3.180 9.615 7.433 825 HD12 ILE 104 HD12 ILE 104 2.938 11.359 7.412 826 HD13 ILE 104 HD13 ILE 104 4.569 10.698 7.324 827 H LYS 105 H LYS 105 5.942 9.874 1.904 828 HA LYS 105 HA LYS 105 6.717 7.113 1.238 829 HB2 LYS 105 HB2 LYS 105 6.082 9.164 -0.417 830 HB3 LYS 105 HB3 LYS 105 7.822 9.406 -0.290 831 HG2 LYS 105 HG2 LYS 105 8.230 7.123 -1.034 832 HG3 LYS 105 HG3 LYS 105 6.503 6.763 -0.986 833 HD2 LYS 105 HD2 LYS 105 6.104 8.458 -2.734 834 HD3 LYS 105 HD3 LYS 105 7.821 8.839 -2.774 835 HE2 LYS 105 HE2 LYS 105 8.313 6.496 -3.460 836 HE3 LYS 105 HE3 LYS 105 6.591 6.131 -3.413 837 HZ1 LYS 105 HZ1 LYS 105 6.200 7.783 -5.108 838 HZ2 LYS 105 HZ2 LYS 105 7.360 6.675 -5.664 839 HZ3 LYS 105 HZ3 LYS 105 7.840 8.213 -5.130 Start of MODEL 4 1 H LYS 15 H LYS 15 -19.278 -17.225 3.234 2 HA LYS 15 HA LYS 15 -16.603 -17.706 2.860 3 HB2 LYS 15 HB2 LYS 15 -18.200 -20.273 3.098 4 HB3 LYS 15 HB3 LYS 15 -16.585 -20.160 2.399 5 HG2 LYS 15 HG2 LYS 15 -17.300 -19.384 5.248 6 HG3 LYS 15 HG3 LYS 15 -16.550 -20.908 4.774 7 HD2 LYS 15 HD2 LYS 15 -14.620 -19.670 3.856 8 HD3 LYS 15 HD3 LYS 15 -15.370 -18.146 4.338 9 HE2 LYS 15 HE2 LYS 15 -15.324 -18.847 6.692 10 HE3 LYS 15 HE3 LYS 15 -14.589 -20.384 6.226 11 HZ1 LYS 15 HZ1 LYS 15 -13.437 -17.670 6.102 12 HZ2 LYS 15 HZ2 LYS 15 -12.830 -18.918 5.120 13 HZ3 LYS 15 HZ3 LYS 15 -12.790 -19.072 6.812 14 H GLU 16 H GLU 16 -18.500 -20.049 1.233 15 HA GLU 16 HA GLU 16 -18.391 -18.718 -1.224 16 HB2 GLU 16 HB2 GLU 16 -20.175 -20.981 -0.302 17 HB3 GLU 16 HB3 GLU 16 -20.057 -20.449 -1.980 18 HG2 GLU 16 HG2 GLU 16 -17.651 -20.945 -1.986 19 HG3 GLU 16 HG3 GLU 16 -17.732 -21.401 -0.288 20 H ARG 17 H ARG 17 -20.984 -18.929 1.170 21 HA ARG 17 HA ARG 17 -23.086 -17.840 -0.307 22 HB2 ARG 17 HB2 ARG 17 -22.420 -17.689 2.653 23 HB3 ARG 17 HB3 ARG 17 -23.961 -17.172 1.976 24 HG2 ARG 17 HG2 ARG 17 -24.416 -19.416 1.140 25 HG3 ARG 17 HG3 ARG 17 -22.820 -19.959 1.665 26 HD2 ARG 17 HD2 ARG 17 -24.496 -20.608 3.338 27 HD3 ARG 17 HD3 ARG 17 -23.434 -19.379 4.008 28 HE ARG 17 HE ARG 17 -25.201 -17.819 3.910 29 HH11 ARG 17 HH11 ARG 17 -26.070 -20.835 2.446 30 HH12 ARG 17 HH12 ARG 17 -27.766 -20.475 2.436 31 HH21 ARG 17 HH21 ARG 17 -27.395 -17.445 4.024 32 HH22 ARG 17 HH22 ARG 17 -28.516 -18.629 3.445 33 H ILE 18 H ILE 18 -20.806 -16.173 1.886 34 HA ILE 18 HA ILE 18 -21.768 -13.589 1.301 35 HB ILE 18 HB ILE 18 -20.510 -14.164 3.332 36 HG12 ILE 18 HG12 ILE 18 -19.119 -11.975 1.785 37 HG13 ILE 18 HG13 ILE 18 -20.763 -11.803 2.402 38 HG21 ILE 18 HG21 ILE 18 -18.201 -14.385 1.392 39 HG22 ILE 18 HG22 ILE 18 -18.745 -15.553 2.601 40 HG23 ILE 18 HG23 ILE 18 -17.967 -14.056 3.107 41 HD11 ILE 18 HD11 ILE 18 -18.276 -12.392 4.037 42 HD12 ILE 18 HD12 ILE 18 -19.906 -12.293 4.695 43 HD13 ILE 18 HD13 ILE 18 -19.148 -10.864 3.999 44 H ASP 19 H ASP 19 -19.214 -15.521 -0.131 45 HA ASP 19 HA ASP 19 -18.011 -13.526 -1.718 46 HB2 ASP 19 HB2 ASP 19 -18.106 -16.526 -1.752 47 HB3 ASP 19 HB3 ASP 19 -17.401 -15.692 -3.115 48 H ILE 20 H ILE 20 -20.616 -15.857 -2.518 49 HA ILE 20 HA ILE 20 -21.146 -14.923 -5.104 50 HB ILE 20 HB ILE 20 -23.007 -16.067 -3.009 51 HG12 ILE 20 HG12 ILE 20 -21.855 -17.346 -5.500 52 HG13 ILE 20 HG13 ILE 20 -21.070 -17.460 -3.925 53 HG21 ILE 20 HG21 ILE 20 -23.461 -15.272 -5.882 54 HG22 ILE 20 HG22 ILE 20 -24.505 -14.998 -4.480 55 HG23 ILE 20 HG23 ILE 20 -24.365 -16.616 -5.174 56 HD11 ILE 20 HD11 ILE 20 -22.394 -19.250 -3.522 57 HD12 ILE 20 HD12 ILE 20 -23.357 -18.926 -4.965 58 HD13 ILE 20 HD13 ILE 20 -23.757 -18.133 -3.439 59 H LEU 21 H LEU 21 -22.455 -13.861 -1.988 60 HA LEU 21 HA LEU 21 -24.154 -11.848 -2.946 61 HB2 LEU 21 HB2 LEU 21 -24.000 -12.874 -0.586 62 HB3 LEU 21 HB3 LEU 21 -22.742 -11.678 -0.296 63 HG LEU 21 HG LEU 21 -25.333 -10.780 -1.512 64 HD11 LEU 21 HD11 LEU 21 -25.979 -12.185 0.418 65 HD12 LEU 21 HD12 LEU 21 -26.322 -10.478 0.705 66 HD13 LEU 21 HD13 LEU 21 -24.915 -11.234 1.457 67 HD21 LEU 21 HD21 LEU 21 -24.279 -8.814 -1.250 68 HD22 LEU 21 HD22 LEU 21 -22.977 -9.571 -0.332 69 HD23 LEU 21 HD23 LEU 21 -24.438 -9.030 0.491 70 H PHE 22 H PHE 22 -20.760 -11.830 -2.019 71 HA PHE 22 HA PHE 22 -20.182 -9.109 -2.189 72 HB2 PHE 22 HB2 PHE 22 -18.638 -10.788 -1.277 73 HB3 PHE 22 HB3 PHE 22 -18.464 -11.518 -2.869 74 HD1 PHE 22 HD1 PHE 22 -17.883 -8.354 -0.972 75 HD2 PHE 22 HD2 PHE 22 -16.903 -10.696 -4.432 76 HE1 PHE 22 HE1 PHE 22 -15.869 -6.960 -1.341 77 HE2 PHE 22 HE2 PHE 22 -15.141 -9.017 -4.999 78 HZ PHE 22 HZ PHE 22 -14.324 -7.508 -3.206 79 H SER 23 H SER 23 -20.143 -11.611 -4.728 80 HA SER 23 HA SER 23 -19.219 -9.985 -6.853 81 HB2 SER 23 HB2 SER 23 -21.089 -12.372 -6.911 82 HB3 SER 23 HB3 SER 23 -20.261 -11.686 -8.308 83 HG SER 23 HG SER 23 -18.495 -12.632 -7.718 84 H LEU 24 H LEU 24 -22.490 -10.618 -5.615 85 HA LEU 24 HA LEU 24 -23.912 -9.224 -7.635 86 HB2 LEU 24 HB2 LEU 24 -24.625 -9.885 -4.776 87 HB3 LEU 24 HB3 LEU 24 -25.740 -9.112 -5.900 88 HG LEU 24 HG LEU 24 -24.352 -11.748 -6.469 89 HD11 LEU 24 HD11 LEU 24 -26.688 -12.681 -5.995 90 HD12 LEU 24 HD12 LEU 24 -27.038 -11.139 -5.219 91 HD13 LEU 24 HD13 LEU 24 -25.758 -12.172 -4.587 92 HD21 LEU 24 HD21 LEU 24 -26.638 -11.688 -7.943 93 HD22 LEU 24 HD22 LEU 24 -25.079 -11.128 -8.543 94 HD23 LEU 24 HD23 LEU 24 -26.243 -9.970 -7.901 95 H ALA 25 H ALA 25 -22.685 -8.236 -4.458 96 HA ALA 25 HA ALA 25 -23.574 -5.584 -4.502 97 HB1 ALA 25 HB1 ALA 25 -22.705 -6.493 -2.453 98 HB2 ALA 25 HB2 ALA 25 -21.648 -5.163 -2.925 99 HB3 ALA 25 HB3 ALA 25 -21.140 -6.830 -3.194 100 H GLU 26 H GLU 26 -20.631 -7.073 -5.773 101 HA GLU 26 HA GLU 26 -19.392 -4.736 -6.666 102 HB2 GLU 26 HB2 GLU 26 -18.278 -6.914 -6.460 103 HB3 GLU 26 HB3 GLU 26 -19.211 -7.527 -7.821 104 HG2 GLU 26 HG2 GLU 26 -18.189 -5.851 -9.299 105 HG3 GLU 26 HG3 GLU 26 -17.297 -5.179 -7.936 106 H ARG 27 H ARG 27 -21.704 -6.853 -8.420 107 HA ARG 27 HA ARG 27 -21.521 -5.494 -10.897 108 HB2 ARG 27 HB2 ARG 27 -23.753 -7.086 -9.615 109 HB3 ARG 27 HB3 ARG 27 -23.864 -6.442 -11.249 110 HG2 ARG 27 HG2 ARG 27 -21.862 -7.700 -11.900 111 HG3 ARG 27 HG3 ARG 27 -21.696 -8.321 -10.259 112 HD2 ARG 27 HD2 ARG 27 -23.912 -9.415 -10.447 113 HD3 ARG 27 HD3 ARG 27 -24.083 -8.780 -12.078 114 HE ARG 27 HE ARG 27 -21.699 -10.179 -12.097 115 HH11 ARG 27 HH11 ARG 27 -25.104 -10.820 -11.651 116 HH12 ARG 27 HH12 ARG 27 -24.858 -12.529 -11.698 117 HH21 ARG 27 HH21 ARG 27 -21.572 -12.322 -12.673 118 HH22 ARG 27 HH22 ARG 27 -22.978 -13.328 -12.587 119 H VAL 28 H VAL 28 -23.806 -5.081 -8.210 120 HA VAL 28 HA VAL 28 -25.296 -3.003 -9.382 121 HB VAL 28 HB VAL 28 -26.159 -4.378 -7.572 122 HG11 VAL 28 HG11 VAL 28 -24.001 -4.560 -6.309 123 HG12 VAL 28 HG12 VAL 28 -25.383 -4.164 -5.297 124 HG13 VAL 28 HG13 VAL 28 -24.236 -2.907 -5.756 125 HG21 VAL 28 HG21 VAL 28 -27.302 -2.667 -6.393 126 HG22 VAL 28 HG22 VAL 28 -26.933 -1.972 -7.970 127 HG23 VAL 28 HG23 VAL 28 -25.964 -1.535 -6.565 128 H PHE 29 H PHE 29 -22.452 -3.068 -7.396 129 HA PHE 29 HA PHE 29 -22.230 -0.579 -6.405 130 HB2 PHE 29 HB2 PHE 29 -20.656 -2.174 -5.779 131 HB3 PHE 29 HB3 PHE 29 -20.206 -2.536 -7.433 132 HD1 PHE 29 HD1 PHE 29 -20.495 0.806 -5.781 133 HD2 PHE 29 HD2 PHE 29 -17.908 -2.353 -6.990 134 HE1 PHE 29 HE1 PHE 29 -18.496 2.301 -5.878 135 HE2 PHE 29 HE2 PHE 29 -15.972 -1.066 -6.196 136 HZ PHE 29 HZ PHE 29 -16.275 1.310 -5.527 137 HA PRO 30 HA PRO 30 -20.319 1.368 -10.444 138 HB2 PRO 30 HB2 PRO 30 -20.676 -0.082 -12.745 139 HB3 PRO 30 HB3 PRO 30 -19.188 -0.103 -11.784 140 HG2 PRO 30 HG2 PRO 30 -21.427 -2.072 -11.861 141 HG3 PRO 30 HG3 PRO 30 -19.683 -2.349 -11.764 142 HD2 PRO 30 HD2 PRO 30 -21.330 -2.503 -9.582 143 HD3 PRO 30 HD3 PRO 30 -19.630 -2.008 -9.462 144 H TYR 31 H TYR 31 -23.177 -0.695 -10.533 145 HA TYR 31 HA TYR 31 -24.515 0.670 -12.644 146 HB2 TYR 31 HB2 TYR 31 -25.136 -1.593 -12.057 147 HB3 TYR 31 HB3 TYR 31 -25.584 -1.092 -10.430 148 HD1 TYR 31 HD1 TYR 31 -26.383 -0.554 -14.027 149 HD2 TYR 31 HD2 TYR 31 -27.719 -0.041 -9.999 150 HE1 TYR 31 HE1 TYR 31 -28.707 -0.306 -14.831 151 HE2 TYR 31 HE2 TYR 31 -30.025 0.339 -10.809 152 HH TYR 31 HH TYR 31 -30.820 1.305 -13.426 153 H SER 32 H SER 32 -24.664 0.901 -9.126 154 HA SER 32 HA SER 32 -25.600 3.618 -9.123 155 HB2 SER 32 HB2 SER 32 -27.503 1.376 -8.429 156 HB3 SER 32 HB3 SER 32 -27.726 3.022 -7.852 157 HG SER 32 HG SER 32 -27.283 2.637 -10.582 158 HA PRO 33 HA PRO 33 -23.171 2.886 -5.396 159 HB2 PRO 33 HB2 PRO 33 -24.165 5.642 -4.764 160 HB3 PRO 33 HB3 PRO 33 -22.517 4.995 -4.714 161 HG2 PRO 33 HG2 PRO 33 -23.331 6.597 -6.681 162 HG3 PRO 33 HG3 PRO 33 -22.198 5.266 -6.971 163 HD2 PRO 33 HD2 PRO 33 -25.116 5.456 -7.651 164 HD3 PRO 33 HD3 PRO 33 -23.811 4.624 -8.522 165 H GLU 34 H GLU 34 -26.363 4.495 -5.262 166 HA GLU 34 HA GLU 34 -26.922 3.923 -2.589 167 HB2 GLU 34 HB2 GLU 34 -28.771 4.451 -4.931 168 HB3 GLU 34 HB3 GLU 34 -29.321 4.337 -3.262 169 HG2 GLU 34 HG2 GLU 34 -27.863 6.193 -2.633 170 HG3 GLU 34 HG3 GLU 34 -27.209 6.270 -4.267 171 H LEU 35 H LEU 35 -27.667 2.047 -5.516 172 HA LEU 35 HA LEU 35 -29.354 0.138 -4.213 173 HB2 LEU 35 HB2 LEU 35 -27.818 0.047 -6.808 174 HB3 LEU 35 HB3 LEU 35 -28.856 -1.264 -6.252 175 HG LEU 35 HG LEU 35 -29.793 1.599 -6.586 176 HD11 LEU 35 HD11 LEU 35 -29.456 -0.595 -8.527 177 HD12 LEU 35 HD12 LEU 35 -29.632 1.137 -8.805 178 HD13 LEU 35 HD13 LEU 35 -31.057 0.141 -8.534 179 HD21 LEU 35 HD21 LEU 35 -32.014 0.123 -6.737 180 HD22 LEU 35 HD22 LEU 35 -31.366 0.633 -5.180 181 HD23 LEU 35 HD23 LEU 35 -31.051 -0.996 -5.776 182 H ALA 36 H ALA 36 -25.954 0.321 -4.988 183 HA ALA 36 HA ALA 36 -25.146 -2.218 -4.061 184 HB1 ALA 36 HB1 ALA 36 -23.292 0.106 -3.810 185 HB2 ALA 36 HB2 ALA 36 -23.892 -0.293 -5.419 186 HB3 ALA 36 HB3 ALA 36 -23.007 -1.500 -4.480 187 H LYS 37 H LYS 37 -25.558 0.880 -2.491 188 HA LYS 37 HA LYS 37 -24.444 0.289 0.008 189 HB2 LYS 37 HB2 LYS 37 -25.043 2.545 -0.724 190 HB3 LYS 37 HB3 LYS 37 -26.746 2.120 -0.722 191 HG2 LYS 37 HG2 LYS 37 -26.203 3.324 1.318 192 HG3 LYS 37 HG3 LYS 37 -26.634 1.668 1.712 193 HD2 LYS 37 HD2 LYS 37 -24.341 1.065 2.083 194 HD3 LYS 37 HD3 LYS 37 -23.761 2.561 1.362 195 HE2 LYS 37 HE2 LYS 37 -23.875 3.586 3.359 196 HE3 LYS 37 HE3 LYS 37 -25.599 3.223 3.475 197 HZ1 LYS 37 HZ1 LYS 37 -25.213 1.394 4.737 198 HZ2 LYS 37 HZ2 LYS 37 -23.822 2.268 5.164 199 HZ3 LYS 37 HZ3 LYS 37 -23.730 1.045 3.987 200 H ARG 38 H ARG 38 -27.735 -0.264 -1.236 201 HA ARG 38 HA ARG 38 -28.847 -1.231 1.204 202 HB2 ARG 38 HB2 ARG 38 -30.182 -0.482 -0.730 203 HB3 ARG 38 HB3 ARG 38 -29.589 -1.856 -1.661 204 HG2 ARG 38 HG2 ARG 38 -30.623 -3.399 -0.015 205 HG3 ARG 38 HG3 ARG 38 -31.219 -2.001 0.889 206 HD2 ARG 38 HD2 ARG 38 -31.883 -2.541 -2.023 207 HD3 ARG 38 HD3 ARG 38 -32.925 -3.003 -0.683 208 HE ARG 38 HE ARG 38 -32.389 -0.305 -0.326 209 HH11 ARG 38 HH11 ARG 38 -33.796 -2.303 -2.775 210 HH12 ARG 38 HH12 ARG 38 -35.058 -1.178 -3.132 211 HH21 ARG 38 HH21 ARG 38 -33.430 1.353 -1.451 212 HH22 ARG 38 HH22 ARG 38 -34.703 0.965 -2.553 213 H TYR 39 H TYR 39 -27.274 -2.829 -1.559 214 HA TYR 39 HA TYR 39 -27.529 -5.478 -0.566 215 HB2 TYR 39 HB2 TYR 39 -25.707 -4.260 -2.631 216 HB3 TYR 39 HB3 TYR 39 -25.620 -5.962 -2.180 217 HD1 TYR 39 HD1 TYR 39 -27.629 -7.427 -2.445 218 HD2 TYR 39 HD2 TYR 39 -27.324 -3.550 -4.234 219 HE1 TYR 39 HE1 TYR 39 -29.564 -7.953 -3.902 220 HE2 TYR 39 HE2 TYR 39 -29.273 -4.063 -5.677 221 HH TYR 39 HH TYR 39 -31.377 -5.465 -5.316 222 H VAL 40 H VAL 40 -25.012 -3.041 -0.253 223 HA VAL 40 HA VAL 40 -23.075 -4.571 1.020 224 HB VAL 40 HB VAL 40 -23.777 -1.636 1.132 225 HG11 VAL 40 HG11 VAL 40 -21.698 -1.204 2.236 226 HG12 VAL 40 HG12 VAL 40 -21.243 -2.911 2.192 227 HG13 VAL 40 HG13 VAL 40 -22.565 -2.366 3.227 228 HG21 VAL 40 HG21 VAL 40 -22.663 -3.154 -0.864 229 HG22 VAL 40 HG22 VAL 40 -21.224 -2.613 -0.003 230 HG23 VAL 40 HG23 VAL 40 -22.364 -1.429 -0.645 231 H GLU 41 H GLU 41 -25.767 -2.747 2.472 232 HA GLU 41 HA GLU 41 -24.903 -3.124 5.190 233 HB2 GLU 41 HB2 GLU 41 -27.587 -2.377 4.005 234 HB3 GLU 41 HB3 GLU 41 -27.262 -2.447 5.740 235 HG2 GLU 41 HG2 GLU 41 -25.490 -0.773 5.503 236 HG3 GLU 41 HG3 GLU 41 -25.737 -0.737 3.759 237 H LEU 42 H LEU 42 -27.101 -4.664 2.962 238 HA LEU 42 HA LEU 42 -27.914 -6.862 4.470 239 HB2 LEU 42 HB2 LEU 42 -28.926 -6.299 2.387 240 HB3 LEU 42 HB3 LEU 42 -27.408 -6.455 1.520 241 HG LEU 42 HG LEU 42 -27.399 -8.884 1.982 242 HD11 LEU 42 HD11 LEU 42 -28.810 -8.702 4.103 243 HD12 LEU 42 HD12 LEU 42 -29.256 -9.998 2.998 244 HD13 LEU 42 HD13 LEU 42 -30.214 -8.520 3.052 245 HD21 LEU 42 HD21 LEU 42 -28.846 -9.360 0.233 246 HD22 LEU 42 HD22 LEU 42 -28.708 -7.611 0.055 247 HD23 LEU 42 HD23 LEU 42 -30.114 -8.305 0.861 248 H ALA 43 H ALA 43 -24.999 -6.525 2.394 249 HA ALA 43 HA ALA 43 -24.081 -9.134 2.799 250 HB1 ALA 43 HB1 ALA 43 -22.194 -8.495 1.672 251 HB2 ALA 43 HB2 ALA 43 -22.044 -6.981 2.563 252 HB3 ALA 43 HB3 ALA 43 -23.223 -7.123 1.261 253 H LEU 44 H LEU 44 -23.373 -6.194 4.686 254 HA LEU 44 HA LEU 44 -21.639 -7.418 6.530 255 HB2 LEU 44 HB2 LEU 44 -23.286 -4.921 6.589 256 HB3 LEU 44 HB3 LEU 44 -22.510 -5.478 8.064 257 HG LEU 44 HG LEU 44 -21.134 -3.852 6.770 258 HD11 LEU 44 HD11 LEU 44 -19.702 -6.490 6.715 259 HD12 LEU 44 HD12 LEU 44 -20.260 -5.819 8.247 260 HD13 LEU 44 HD13 LEU 44 -19.123 -4.914 7.250 261 HD21 LEU 44 HD21 LEU 44 -21.024 -6.060 4.697 262 HD22 LEU 44 HD22 LEU 44 -19.973 -4.650 4.725 263 HD23 LEU 44 HD23 LEU 44 -21.705 -4.444 4.492 264 H LEU 45 H LEU 45 -25.177 -6.980 6.675 265 HA LEU 45 HA LEU 45 -25.527 -8.134 9.207 266 HB2 LEU 45 HB2 LEU 45 -27.340 -7.905 6.817 267 HB3 LEU 45 HB3 LEU 45 -27.858 -8.749 8.272 268 HG LEU 45 HG LEU 45 -26.806 -5.910 8.255 269 HD11 LEU 45 HD11 LEU 45 -29.202 -5.286 8.604 270 HD12 LEU 45 HD12 LEU 45 -29.651 -6.964 8.306 271 HD13 LEU 45 HD13 LEU 45 -28.912 -6.010 7.021 272 HD21 LEU 45 HD21 LEU 45 -28.317 -6.171 10.498 273 HD22 LEU 45 HD22 LEU 45 -26.582 -6.474 10.468 274 HD23 LEU 45 HD23 LEU 45 -27.715 -7.820 10.347 275 H VAL 46 H VAL 46 -25.438 -9.584 6.004 276 HA VAL 46 HA VAL 46 -25.952 -12.251 6.764 277 HB VAL 46 HB VAL 46 -24.476 -11.045 4.414 278 HG11 VAL 46 HG11 VAL 46 -25.052 -13.441 3.463 279 HG12 VAL 46 HG12 VAL 46 -24.969 -13.910 5.162 280 HG13 VAL 46 HG13 VAL 46 -23.566 -13.185 4.375 281 HG21 VAL 46 HG21 VAL 46 -26.513 -11.298 3.261 282 HG22 VAL 46 HG22 VAL 46 -27.036 -10.787 4.865 283 HG23 VAL 46 HG23 VAL 46 -27.121 -12.488 4.413 284 H GLN 47 H GLN 47 -22.938 -10.393 6.507 285 HA GLN 47 HA GLN 47 -21.173 -12.588 6.763 286 HB2 GLN 47 HB2 GLN 47 -20.554 -10.358 5.866 287 HB3 GLN 47 HB3 GLN 47 -20.754 -9.665 7.469 288 HG2 GLN 47 HG2 GLN 47 -18.977 -11.182 8.327 289 HG3 GLN 47 HG3 GLN 47 -18.753 -11.811 6.697 290 HE21 GLN 47 HE21 GLN 47 -16.597 -10.973 6.378 291 HE22 GLN 47 HE22 GLN 47 -16.228 -9.317 6.469 292 H GLN 48 H GLN 48 -22.394 -10.256 9.191 293 HA GLN 48 HA GLN 48 -21.000 -11.379 11.362 294 HB2 GLN 48 HB2 GLN 48 -22.453 -10.061 12.782 295 HB3 GLN 48 HB3 GLN 48 -22.002 -9.120 11.369 296 HG2 GLN 48 HG2 GLN 48 -24.155 -9.726 10.291 297 HG3 GLN 48 HG3 GLN 48 -24.618 -10.594 11.753 298 HE21 GLN 48 HE21 GLN 48 -26.416 -9.168 12.229 299 HE22 GLN 48 HE22 GLN 48 -26.239 -7.490 12.396 300 H LYS 49 H LYS 49 -24.264 -12.015 10.140 301 HA LYS 49 HA LYS 49 -25.069 -13.809 12.148 302 HB2 LYS 49 HB2 LYS 49 -25.931 -13.457 9.270 303 HB3 LYS 49 HB3 LYS 49 -26.740 -14.544 10.402 304 HG2 LYS 49 HG2 LYS 49 -27.183 -12.674 11.920 305 HG3 LYS 49 HG3 LYS 49 -26.321 -11.568 10.854 306 HD2 LYS 49 HD2 LYS 49 -27.976 -12.043 9.060 307 HD3 LYS 49 HD3 LYS 49 -28.833 -13.134 10.151 308 HE2 LYS 49 HE2 LYS 49 -29.239 -11.255 11.709 309 HE3 LYS 49 HE3 LYS 49 -28.375 -10.166 10.620 310 HZ1 LYS 49 HZ1 LYS 49 -30.890 -11.633 10.049 311 HZ2 LYS 49 HZ2 LYS 49 -30.010 -10.757 8.884 312 HZ3 LYS 49 HZ3 LYS 49 -30.696 -9.951 10.217 313 H ALA 50 H ALA 50 -23.559 -14.406 8.978 314 HA ALA 50 HA ALA 50 -23.295 -17.215 9.387 315 HB1 ALA 50 HB1 ALA 50 -21.664 -15.462 7.530 316 HB2 ALA 50 HB2 ALA 50 -23.288 -16.031 7.156 317 HB3 ALA 50 HB3 ALA 50 -21.978 -17.190 7.378 318 H LYS 51 H LYS 51 -21.661 -14.533 10.649 319 HA LYS 51 HA LYS 51 -19.807 -14.299 11.970 320 HB2 LYS 51 HB2 LYS 51 -21.258 -16.393 12.911 321 HB3 LYS 51 HB3 LYS 51 -19.684 -17.157 12.689 322 HG2 LYS 51 HG2 LYS 51 -18.620 -15.435 14.060 323 HG3 LYS 51 HG3 LYS 51 -20.140 -14.550 14.178 324 HD2 LYS 51 HD2 LYS 51 -21.164 -16.431 15.379 325 HD3 LYS 51 HD3 LYS 51 -19.667 -17.350 15.243 326 HE2 LYS 51 HE2 LYS 51 -18.484 -15.605 16.539 327 HE3 LYS 51 HE3 LYS 51 -19.981 -14.682 16.669 328 HZ1 LYS 51 HZ1 LYS 51 -19.341 -17.312 17.848 329 HZ2 LYS 51 HZ2 LYS 51 -20.944 -16.770 17.694 330 HZ3 LYS 51 HZ3 LYS 51 -19.838 -15.894 18.639 331 H VAL 52 H VAL 52 -18.956 -14.300 9.535 332 HA VAL 52 HA VAL 52 -16.601 -16.090 9.547 333 HB VAL 52 HB VAL 52 -16.556 -15.681 7.025 334 HG11 VAL 52 HG11 VAL 52 -18.863 -17.213 8.269 335 HG12 VAL 52 HG12 VAL 52 -17.238 -17.829 7.979 336 HG13 VAL 52 HG13 VAL 52 -18.286 -17.436 6.620 337 HG21 VAL 52 HG21 VAL 52 -18.317 -13.778 7.301 338 HG22 VAL 52 HG22 VAL 52 -19.491 -15.088 7.369 339 HG23 VAL 52 HG23 VAL 52 -18.491 -14.875 5.933 340 H LYS 53 H LYS 53 -14.700 -15.150 9.639 341 HA LYS 53 HA LYS 53 -14.469 -12.252 9.691 342 HB2 LYS 53 HB2 LYS 53 -12.442 -14.472 10.049 343 HB3 LYS 53 HB3 LYS 53 -12.067 -12.753 10.179 344 HG2 LYS 53 HG2 LYS 53 -13.683 -12.515 12.004 345 HG3 LYS 53 HG3 LYS 53 -14.115 -14.222 11.867 346 HD2 LYS 53 HD2 LYS 53 -11.748 -14.814 12.394 347 HD3 LYS 53 HD3 LYS 53 -11.397 -13.099 12.607 348 HE2 LYS 53 HE2 LYS 53 -13.495 -14.603 14.199 349 HE3 LYS 53 HE3 LYS 53 -11.854 -14.291 14.762 350 HZ1 LYS 53 HZ1 LYS 53 -14.047 -12.598 14.927 351 HZ2 LYS 53 HZ2 LYS 53 -12.977 -11.902 13.804 352 HZ3 LYS 53 HZ3 LYS 53 -12.438 -12.273 15.372 353 H ILE 54 H ILE 54 -13.556 -11.008 8.158 354 HA ILE 54 HA ILE 54 -12.287 -12.335 5.828 355 HB ILE 54 HB ILE 54 -14.274 -10.075 5.969 356 HG12 ILE 54 HG12 ILE 54 -14.001 -12.568 4.257 357 HG13 ILE 54 HG13 ILE 54 -15.089 -12.379 5.624 358 HG21 ILE 54 HG21 ILE 54 -12.234 -10.626 3.815 359 HG22 ILE 54 HG22 ILE 54 -12.548 -9.101 4.641 360 HG23 ILE 54 HG23 ILE 54 -13.732 -9.748 3.515 361 HD11 ILE 54 HD11 ILE 54 -15.189 -10.537 3.220 362 HD12 ILE 54 HD12 ILE 54 -16.418 -10.751 4.461 363 HD13 ILE 54 HD13 ILE 54 -16.105 -12.039 3.301 364 HA PRO 55 HA PRO 55 -8.898 -9.872 7.601 365 HB2 PRO 55 HB2 PRO 55 -7.541 -11.138 5.249 366 HB3 PRO 55 HB3 PRO 55 -6.995 -10.997 6.932 367 HG2 PRO 55 HG2 PRO 55 -7.927 -13.298 5.980 368 HG3 PRO 55 HG3 PRO 55 -8.304 -12.765 7.626 369 HD2 PRO 55 HD2 PRO 55 -10.045 -12.721 5.168 370 HD3 PRO 55 HD3 PRO 55 -10.487 -13.073 6.851 371 H ARG 56 H ARG 56 -9.582 -10.090 4.087 372 HA ARG 56 HA ARG 56 -9.002 -7.213 3.930 373 HB2 ARG 56 HB2 ARG 56 -7.868 -9.395 2.198 374 HB3 ARG 56 HB3 ARG 56 -7.841 -7.694 1.732 375 HG2 ARG 56 HG2 ARG 56 -6.676 -7.141 3.841 376 HG3 ARG 56 HG3 ARG 56 -6.715 -8.832 4.312 377 HD2 ARG 56 HD2 ARG 56 -5.301 -9.419 2.376 378 HD3 ARG 56 HD3 ARG 56 -5.255 -7.724 1.901 379 HE ARG 56 HE ARG 56 -4.417 -8.074 4.617 380 HH11 ARG 56 HH11 ARG 56 -3.284 -8.571 1.356 381 HH12 ARG 56 HH12 ARG 56 -1.741 -7.889 1.702 382 HH21 ARG 56 HH21 ARG 56 -2.225 -7.909 5.096 383 HH22 ARG 56 HH22 ARG 56 -1.072 -8.190 3.838 384 H LYS 57 H LYS 57 -10.994 -9.830 2.569 385 HA LYS 57 HA LYS 57 -11.539 -8.603 0.155 386 HB2 LYS 57 HB2 LYS 57 -13.370 -10.407 1.746 387 HB3 LYS 57 HB3 LYS 57 -13.684 -9.908 0.098 388 HG2 LYS 57 HG2 LYS 57 -11.604 -11.027 -0.640 389 HG3 LYS 57 HG3 LYS 57 -11.299 -11.528 1.031 390 HD2 LYS 57 HD2 LYS 57 -13.454 -12.711 1.077 391 HD3 LYS 57 HD3 LYS 57 -13.785 -12.201 -0.576 392 HE2 LYS 57 HE2 LYS 57 -11.837 -13.487 -1.374 393 HE3 LYS 57 HE3 LYS 57 -11.493 -14.002 0.281 394 HZ1 LYS 57 HZ1 LYS 57 -12.920 -15.458 -1.336 395 HZ2 LYS 57 HZ2 LYS 57 -14.180 -14.458 -0.791 396 HZ3 LYS 57 HZ3 LYS 57 -13.285 -15.379 0.322 397 H TRP 58 H TRP 58 -13.258 -8.145 3.224 398 HA TRP 58 HA TRP 58 -14.957 -6.133 1.906 399 HB2 TRP 58 HB2 TRP 58 -15.619 -8.087 4.015 400 HB3 TRP 58 HB3 TRP 58 -16.117 -6.433 4.355 401 HD1 TRP 58 HD1 TRP 58 -17.218 -9.419 2.496 402 HE1 TRP 58 HE1 TRP 58 -19.452 -8.747 1.374 403 HE3 TRP 58 HE3 TRP 58 -16.445 -4.447 2.070 404 HZ2 TRP 58 HZ2 TRP 58 -20.092 -6.580 -0.550 405 HZ3 TRP 58 HZ3 TRP 58 -17.597 -3.191 0.277 406 HH2 TRP 58 HH2 TRP 58 -19.489 -4.204 -0.940 407 H LYS 59 H LYS 59 -12.707 -6.923 4.383 408 HA LYS 59 HA LYS 59 -13.161 -4.762 6.119 409 HB2 LYS 59 HB2 LYS 59 -12.043 -6.883 6.721 410 HB3 LYS 59 HB3 LYS 59 -10.652 -6.395 5.755 411 HG2 LYS 59 HG2 LYS 59 -10.293 -4.450 7.200 412 HG3 LYS 59 HG3 LYS 59 -11.740 -4.858 8.130 413 HD2 LYS 59 HD2 LYS 59 -10.712 -7.010 8.778 414 HD3 LYS 59 HD3 LYS 59 -9.269 -6.600 7.854 415 HE2 LYS 59 HE2 LYS 59 -8.889 -4.646 9.317 416 HE3 LYS 59 HE3 LYS 59 -10.350 -5.032 10.226 417 HZ1 LYS 59 HZ1 LYS 59 -8.489 -5.921 11.388 418 HZ2 LYS 59 HZ2 LYS 59 -7.899 -6.681 9.987 419 HZ3 LYS 59 HZ3 LYS 59 -9.339 -7.223 10.707 420 H ARG 60 H ARG 60 -10.989 -5.213 3.420 421 HA ARG 60 HA ARG 60 -9.874 -2.522 3.739 422 HB2 ARG 60 HB2 ARG 60 -8.999 -4.892 2.086 423 HB3 ARG 60 HB3 ARG 60 -8.204 -3.321 2.044 424 HG2 ARG 60 HG2 ARG 60 -8.623 -4.918 4.591 425 HG3 ARG 60 HG3 ARG 60 -7.150 -4.991 3.624 426 HD2 ARG 60 HD2 ARG 60 -6.763 -2.618 3.937 427 HD3 ARG 60 HD3 ARG 60 -8.303 -2.412 4.747 428 HE ARG 60 HE ARG 60 -6.039 -3.952 5.880 429 HH11 ARG 60 HH11 ARG 60 -9.255 -2.742 6.421 430 HH12 ARG 60 HH12 ARG 60 -8.690 -1.660 7.642 431 HH21 ARG 60 HH21 ARG 60 -5.732 -3.431 8.084 432 HH22 ARG 60 HH22 ARG 60 -6.993 -2.621 8.951 433 H ARG 61 H ARG 61 -12.492 -3.707 2.187 434 HA ARG 61 HA ARG 61 -11.994 -2.096 -0.222 435 HB2 ARG 61 HB2 ARG 61 -13.549 -4.664 0.005 436 HB3 ARG 61 HB3 ARG 61 -13.650 -3.590 -1.390 437 HG2 ARG 61 HG2 ARG 61 -11.214 -3.751 -1.711 438 HG3 ARG 61 HG3 ARG 61 -11.098 -4.819 -0.313 439 HD2 ARG 61 HD2 ARG 61 -12.530 -6.474 -1.459 440 HD3 ARG 61 HD3 ARG 61 -12.649 -5.409 -2.851 441 HE ARG 61 HE ARG 61 -10.266 -6.900 -1.996 442 HH11 ARG 61 HH11 ARG 61 -11.274 -4.173 -3.832 443 HH12 ARG 61 HH12 ARG 61 -10.506 -4.680 -5.294 444 HH21 ARG 61 HH21 ARG 61 -8.832 -7.287 -3.717 445 HH22 ARG 61 HH22 ARG 61 -8.620 -6.019 -4.873 446 H TYR 62 H TYR 62 -13.348 -1.260 2.384 447 HA TYR 62 HA TYR 62 -15.809 -0.306 1.134 448 HB2 TYR 62 HB2 TYR 62 -17.176 -0.969 3.053 449 HB3 TYR 62 HB3 TYR 62 -16.583 -2.318 2.102 450 HD1 TYR 62 HD1 TYR 62 -13.876 -1.087 4.113 451 HD2 TYR 62 HD2 TYR 62 -17.538 -3.328 4.324 452 HE1 TYR 62 HE1 TYR 62 -13.319 -1.789 6.416 453 HE2 TYR 62 HE2 TYR 62 -16.933 -4.085 6.598 454 HH TYR 62 HH TYR 62 -15.220 -3.244 8.544 455 H CYS 63 H CYS 63 -16.961 1.308 2.188 456 HA CYS 63 HA CYS 63 -15.526 3.282 3.611 457 HB2 CYS 63 HB2 CYS 63 -18.175 2.936 2.549 458 HB3 CYS 63 HB3 CYS 63 -18.280 3.584 4.185 459 H LYS 64 H LYS 64 -15.294 3.735 5.715 460 HA LYS 64 HA LYS 64 -15.780 1.895 7.741 461 HB2 LYS 64 HB2 LYS 64 -14.191 3.801 7.791 462 HB3 LYS 64 HB3 LYS 64 -15.543 4.916 7.933 463 HG2 LYS 64 HG2 LYS 64 -16.198 3.863 10.072 464 HG3 LYS 64 HG3 LYS 64 -14.874 2.712 9.919 465 HD2 LYS 64 HD2 LYS 64 -13.250 4.583 9.967 466 HD3 LYS 64 HD3 LYS 64 -14.582 5.726 10.145 467 HE2 LYS 64 HE2 LYS 64 -15.253 4.639 12.250 468 HE3 LYS 64 HE3 LYS 64 -13.930 3.482 12.077 469 HZ1 LYS 64 HZ1 LYS 64 -13.050 6.173 11.834 470 HZ2 LYS 64 HZ2 LYS 64 -12.487 4.946 12.866 471 HZ3 LYS 64 HZ3 LYS 64 -13.811 5.904 13.326 472 H LYS 65 H LYS 65 -17.827 4.672 6.751 473 HA LYS 65 HA LYS 65 -19.815 3.994 8.774 474 HB2 LYS 65 HB2 LYS 65 -19.461 6.347 8.183 475 HB3 LYS 65 HB3 LYS 65 -19.993 6.007 6.529 476 HG2 LYS 65 HG2 LYS 65 -22.175 5.276 7.353 477 HG3 LYS 65 HG3 LYS 65 -21.639 5.501 9.021 478 HD2 LYS 65 HD2 LYS 65 -21.334 7.911 8.604 479 HD3 LYS 65 HD3 LYS 65 -21.886 7.696 6.941 480 HE2 LYS 65 HE2 LYS 65 -23.536 6.975 9.391 481 HE3 LYS 65 HE3 LYS 65 -23.679 8.502 8.525 482 HZ1 LYS 65 HZ1 LYS 65 -25.148 6.391 7.950 483 HZ2 LYS 65 HZ2 LYS 65 -23.834 6.067 6.924 484 HZ3 LYS 65 HZ3 LYS 65 -24.685 7.530 6.777 485 H CYS 66 H CYS 66 -19.579 4.025 5.261 486 HA CYS 66 HA CYS 66 -22.209 3.075 4.915 487 HB2 CYS 66 HB2 CYS 66 -20.024 3.169 2.824 488 HB3 CYS 66 HB3 CYS 66 -21.765 3.211 2.553 489 H HIS 67 H HIS 67 -19.157 1.506 5.072 490 HA HIS 67 HA HIS 67 -18.395 -0.590 4.660 491 HB2 HIS 67 HB2 HIS 67 -21.325 -1.292 4.992 492 HB3 HIS 67 HB3 HIS 67 -20.009 -2.461 4.903 493 HD1 HIS 67 HD1 HIS 67 -17.915 -1.742 6.648 494 HD2 HIS 67 HD2 HIS 67 -21.659 -0.144 7.510 495 HE1 HIS 67 HE1 HIS 67 -17.927 -1.238 9.153 496 HE2 HIS 67 HE2 HIS 67 -20.097 -0.009 9.608 497 H ALA 68 H ALA 68 -19.823 1.222 2.561 498 HA ALA 68 HA ALA 68 -20.664 -0.520 0.447 499 HB1 ALA 68 HB1 ALA 68 -19.770 2.314 0.011 500 HB2 ALA 68 HB2 ALA 68 -21.277 1.988 0.870 501 HB3 ALA 68 HB3 ALA 68 -21.064 1.417 -0.786 502 H PHE 69 H PHE 69 -19.548 -0.757 -1.600 503 HA PHE 69 HA PHE 69 -16.904 -1.730 -1.139 504 HB2 PHE 69 HB2 PHE 69 -18.786 -2.375 -2.929 505 HB3 PHE 69 HB3 PHE 69 -17.966 -1.163 -3.896 506 HD1 PHE 69 HD1 PHE 69 -15.234 -1.398 -3.761 507 HD2 PHE 69 HD2 PHE 69 -18.109 -4.548 -3.295 508 HE1 PHE 69 HE1 PHE 69 -13.537 -3.057 -4.469 509 HE2 PHE 69 HE2 PHE 69 -16.558 -6.097 -4.416 510 HZ PHE 69 HZ PHE 69 -14.240 -5.388 -4.937 511 H LEU 70 H LEU 70 -15.010 -0.573 -1.296 512 HA LEU 70 HA LEU 70 -15.133 2.144 -2.407 513 HB2 LEU 70 HB2 LEU 70 -13.545 0.818 -0.320 514 HB3 LEU 70 HB3 LEU 70 -12.578 1.812 -1.398 515 HG LEU 70 HG LEU 70 -13.442 3.054 0.590 516 HD11 LEU 70 HD11 LEU 70 -13.978 5.029 -0.610 517 HD12 LEU 70 HD12 LEU 70 -14.663 4.123 -1.956 518 HD13 LEU 70 HD13 LEU 70 -12.923 4.106 -1.677 519 HD21 LEU 70 HD21 LEU 70 -15.716 1.739 0.396 520 HD22 LEU 70 HD22 LEU 70 -16.159 3.064 -0.679 521 HD23 LEU 70 HD23 LEU 70 -15.698 3.398 0.989 522 H VAL 71 H VAL 71 -15.038 1.954 -4.492 523 HA VAL 71 HA VAL 71 -12.314 1.583 -5.490 524 HB VAL 71 HB VAL 71 -14.822 0.780 -6.992 525 HG11 VAL 71 HG11 VAL 71 -13.330 0.268 -8.871 526 HG12 VAL 71 HG12 VAL 71 -11.948 0.889 -7.967 527 HG13 VAL 71 HG13 VAL 71 -13.241 1.981 -8.466 528 HG21 VAL 71 HG21 VAL 71 -13.909 -1.436 -6.995 529 HG22 VAL 71 HG22 VAL 71 -13.803 -0.854 -5.334 530 HG23 VAL 71 HG23 VAL 71 -12.365 -0.866 -6.356 531 HA PRO 72 HA PRO 72 -13.327 5.886 -6.264 532 HB2 PRO 72 HB2 PRO 72 -11.046 5.899 -8.164 533 HB3 PRO 72 HB3 PRO 72 -11.329 6.902 -6.733 534 HG2 PRO 72 HG2 PRO 72 -9.500 4.940 -6.768 535 HG3 PRO 72 HG3 PRO 72 -10.410 5.354 -5.310 536 HD2 PRO 72 HD2 PRO 72 -10.774 3.028 -7.171 537 HD3 PRO 72 HD3 PRO 72 -10.982 3.105 -5.406 538 H GLY 73 H GLY 73 -14.529 6.963 -7.733 539 HA2 GLY 73 HA2 GLY 73 -15.085 7.684 -9.928 540 HA3 GLY 73 HA3 GLY 73 -14.559 6.128 -10.553 541 H ILE 74 H ILE 74 -16.239 5.108 -7.951 542 HA ILE 74 HA ILE 74 -18.538 4.669 -9.757 543 HB ILE 74 HB ILE 74 -17.337 2.801 -7.709 544 HG12 ILE 74 HG12 ILE 74 -17.752 2.438 -10.687 545 HG13 ILE 74 HG13 ILE 74 -16.250 3.069 -10.016 546 HG21 ILE 74 HG21 ILE 74 -19.924 2.788 -9.249 547 HG22 ILE 74 HG22 ILE 74 -19.670 2.447 -7.545 548 HG23 ILE 74 HG23 ILE 74 -19.165 1.269 -8.753 549 HD11 ILE 74 HD11 ILE 74 -17.134 0.634 -8.657 550 HD12 ILE 74 HD12 ILE 74 -15.574 0.987 -9.403 551 HD13 ILE 74 HD13 ILE 74 -16.909 0.387 -10.390 552 H ASN 75 H ASN 75 -18.098 4.036 -6.259 553 HA ASN 75 HA ASN 75 -20.559 5.610 -5.745 554 HB2 ASN 75 HB2 ASN 75 -20.810 4.353 -3.712 555 HB3 ASN 75 HB3 ASN 75 -20.587 3.200 -5.017 556 HD21 ASN 75 HD21 ASN 75 -19.932 2.871 -2.072 557 HD22 ASN 75 HD22 ASN 75 -18.477 2.027 -2.286 558 H ALA 76 H ALA 76 -17.444 5.999 -5.943 559 HA ALA 76 HA ALA 76 -17.278 8.074 -3.969 560 HB1 ALA 76 HB1 ALA 76 -15.609 7.176 -2.586 561 HB2 ALA 76 HB2 ALA 76 -15.092 6.022 -3.816 562 HB3 ALA 76 HB3 ALA 76 -16.574 5.736 -2.909 563 H ARG 77 H ARG 77 -15.528 9.498 -4.455 564 HA ARG 77 HA ARG 77 -14.053 8.830 -6.921 565 HB2 ARG 77 HB2 ARG 77 -15.980 10.454 -7.303 566 HB3 ARG 77 HB3 ARG 77 -15.079 11.604 -6.317 567 HG2 ARG 77 HG2 ARG 77 -13.159 11.439 -7.843 568 HG3 ARG 77 HG3 ARG 77 -14.013 10.251 -8.823 569 HD2 ARG 77 HD2 ARG 77 -14.237 12.421 -9.883 570 HD3 ARG 77 HD3 ARG 77 -15.807 11.965 -9.227 571 HE ARG 77 HE ARG 77 -14.271 13.561 -7.396 572 HH11 ARG 77 HH11 ARG 77 -15.956 13.749 -10.392 573 HH12 ARG 77 HH12 ARG 77 -16.710 15.264 -10.033 574 HH21 ARG 77 HH21 ARG 77 -15.849 15.595 -6.989 575 HH22 ARG 77 HH22 ARG 77 -15.301 16.534 -8.336 576 H VAL 78 H VAL 78 -11.977 9.631 -7.110 577 HA VAL 78 HA VAL 78 -10.863 10.688 -4.592 578 HB VAL 78 HB VAL 78 -10.422 8.220 -4.936 579 HG11 VAL 78 HG11 VAL 78 -8.970 7.466 -6.639 580 HG12 VAL 78 HG12 VAL 78 -8.430 9.098 -7.025 581 HG13 VAL 78 HG13 VAL 78 -10.055 8.579 -7.475 582 HG21 VAL 78 HG21 VAL 78 -7.794 9.652 -5.035 583 HG22 VAL 78 HG22 VAL 78 -8.338 8.389 -3.937 584 HG23 VAL 78 HG23 VAL 78 -8.912 10.040 -3.731 585 H ARG 79 H ARG 79 -9.721 12.456 -4.827 586 HA ARG 79 HA ARG 79 -8.492 13.110 -7.435 587 HB2 ARG 79 HB2 ARG 79 -8.922 14.844 -4.989 588 HB3 ARG 79 HB3 ARG 79 -8.009 15.334 -6.410 589 HG2 ARG 79 HG2 ARG 79 -10.041 15.018 -7.804 590 HG3 ARG 79 HG3 ARG 79 -10.941 14.555 -6.366 591 HD2 ARG 79 HD2 ARG 79 -9.525 17.213 -6.682 592 HD3 ARG 79 HD3 ARG 79 -11.233 16.969 -7.008 593 HE ARG 79 HE ARG 79 -9.935 16.950 -4.371 594 HH11 ARG 79 HH11 ARG 79 -12.830 16.652 -6.251 595 HH12 ARG 79 HH12 ARG 79 -13.831 16.971 -4.875 596 HH21 ARG 79 HH21 ARG 79 -11.277 17.111 -2.648 597 HH22 ARG 79 HH22 ARG 79 -12.987 16.942 -2.834 598 H LEU 80 H LEU 80 -6.306 13.148 -7.610 599 HA LEU 80 HA LEU 80 -4.743 12.376 -5.206 600 HB2 LEU 80 HB2 LEU 80 -4.055 11.934 -8.130 601 HB3 LEU 80 HB3 LEU 80 -3.161 11.336 -6.735 602 HG LEU 80 HG LEU 80 -5.488 10.253 -6.094 603 HD11 LEU 80 HD11 LEU 80 -7.095 10.554 -7.641 604 HD12 LEU 80 HD12 LEU 80 -6.138 9.585 -8.758 605 HD13 LEU 80 HD13 LEU 80 -5.960 11.336 -8.734 606 HD21 LEU 80 HD21 LEU 80 -3.334 9.069 -6.707 607 HD22 LEU 80 HD22 LEU 80 -3.876 9.097 -8.385 608 HD23 LEU 80 HD23 LEU 80 -4.800 8.209 -7.176 609 H ARG 81 H ARG 81 -3.388 13.951 -4.504 610 HA ARG 81 HA ARG 81 -2.784 16.178 -6.345 611 HB2 ARG 81 HB2 ARG 81 -3.060 16.133 -3.342 612 HB3 ARG 81 HB3 ARG 81 -2.386 17.499 -4.231 613 HG2 ARG 81 HG2 ARG 81 -4.471 17.684 -5.526 614 HG3 ARG 81 HG3 ARG 81 -5.144 16.299 -4.673 615 HD2 ARG 81 HD2 ARG 81 -4.966 17.529 -2.533 616 HD3 ARG 81 HD3 ARG 81 -4.286 18.905 -3.386 617 HE ARG 81 HE ARG 81 -6.770 18.250 -4.569 618 HH11 ARG 81 HH11 ARG 81 -5.719 19.265 -1.401 619 HH12 ARG 81 HH12 ARG 81 -6.691 20.693 -1.505 620 HH21 ARG 81 HH21 ARG 81 -8.596 19.466 -4.116 621 HH22 ARG 81 HH22 ARG 81 -8.754 20.247 -2.583 622 H GLN 82 H GLN 82 -0.730 16.748 -6.732 623 HA GLN 82 HA GLN 82 1.369 15.052 -5.526 624 HB2 GLN 82 HB2 GLN 82 1.249 16.416 -8.227 625 HB3 GLN 82 HB3 GLN 82 2.637 15.510 -7.626 626 HG2 GLN 82 HG2 GLN 82 -0.167 14.408 -7.985 627 HG3 GLN 82 HG3 GLN 82 1.176 14.122 -9.086 628 HE21 GLN 82 HE21 GLN 82 -0.476 12.633 -6.630 629 HE22 GLN 82 HE22 GLN 82 0.713 11.463 -6.338 630 H LYS 83 H LYS 83 1.081 16.756 -3.800 631 HA LYS 83 HA LYS 83 2.966 18.999 -4.107 632 HB2 LYS 83 HB2 LYS 83 0.887 19.197 -2.691 633 HB3 LYS 83 HB3 LYS 83 1.523 17.924 -1.661 634 HG2 LYS 83 HG2 LYS 83 3.458 19.317 -1.082 635 HG3 LYS 83 HG3 LYS 83 2.907 20.578 -2.188 636 HD2 LYS 83 HD2 LYS 83 0.809 20.787 -0.869 637 HD3 LYS 83 HD3 LYS 83 1.394 19.549 0.242 638 HE2 LYS 83 HE2 LYS 83 3.318 20.966 0.832 639 HE3 LYS 83 HE3 LYS 83 2.752 22.202 -0.297 640 HZ1 LYS 83 HZ1 LYS 83 1.429 21.261 2.178 641 HZ2 LYS 83 HZ2 LYS 83 0.634 22.199 1.009 642 HZ3 LYS 83 HZ3 LYS 83 1.985 22.824 1.826 643 H ARG 84 H ARG 84 4.865 18.834 -2.297 644 HA ARG 84 HA ARG 84 5.992 16.086 -2.454 645 HB2 ARG 84 HB2 ARG 84 6.881 18.601 -0.957 646 HB3 ARG 84 HB3 ARG 84 7.839 17.141 -1.159 647 HG2 ARG 84 HG2 ARG 84 7.949 17.498 -3.570 648 HG3 ARG 84 HG3 ARG 84 6.875 18.893 -3.444 649 HD2 ARG 84 HD2 ARG 84 9.154 19.713 -3.555 650 HD3 ARG 84 HD3 ARG 84 8.539 19.976 -1.932 651 HE ARG 84 HE ARG 84 10.020 18.335 -1.126 652 HH11 ARG 84 HH11 ARG 84 10.039 18.508 -4.593 653 HH12 ARG 84 HH12 ARG 84 11.369 17.409 -4.752 654 HH21 ARG 84 HH21 ARG 84 11.895 17.104 -1.366 655 HH22 ARG 84 HH22 ARG 84 12.595 16.901 -2.936 656 H MET 85 H MET 85 3.443 16.367 -1.200 657 HA MET 85 HA MET 85 4.397 14.284 0.601 658 HB2 MET 85 HB2 MET 85 3.098 16.557 1.576 659 HB3 MET 85 HB3 MET 85 1.769 15.439 1.304 660 HG2 MET 85 HG2 MET 85 2.665 15.328 3.608 661 HG3 MET 85 HG3 MET 85 2.799 13.790 2.759 662 HE1 MET 85 HE1 MET 85 6.110 16.883 3.445 663 HE2 MET 85 HE2 MET 85 4.928 16.569 4.714 664 HE3 MET 85 HE3 MET 85 4.396 17.158 3.139 665 HA PRO 86 HA PRO 86 1.486 12.788 -2.675 666 HB2 PRO 86 HB2 PRO 86 1.763 10.110 -1.422 667 HB3 PRO 86 HB3 PRO 86 1.961 10.591 -3.112 668 HG2 PRO 86 HG2 PRO 86 4.040 9.972 -1.540 669 HG3 PRO 86 HG3 PRO 86 4.151 11.166 -2.840 670 HD2 PRO 86 HD2 PRO 86 4.010 11.602 0.119 671 HD3 PRO 86 HD3 PRO 86 4.845 12.567 -1.120 672 H HIS 87 H HIS 87 -0.731 12.772 -2.470 673 HA HIS 87 HA HIS 87 -1.986 11.492 -0.195 674 HB2 HIS 87 HB2 HIS 87 -3.276 13.528 0.435 675 HB3 HIS 87 HB3 HIS 87 -1.562 13.613 0.824 676 HD1 HIS 87 HD1 HIS 87 -3.541 16.053 0.364 677 HD2 HIS 87 HD2 HIS 87 -0.430 14.689 -2.074 678 HE1 HIS 87 HE1 HIS 87 -2.541 18.097 -0.785 679 HE2 HIS 87 HE2 HIS 87 -0.598 17.292 -2.185 680 H ILE 88 H ILE 88 -4.115 10.975 -0.512 681 HA ILE 88 HA ILE 88 -5.432 12.010 -2.937 682 HB ILE 88 HB ILE 88 -6.435 9.826 -3.364 683 HG12 ILE 88 HG12 ILE 88 -4.618 8.767 -1.175 684 HG13 ILE 88 HG13 ILE 88 -6.349 9.035 -0.970 685 HG21 ILE 88 HG21 ILE 88 -3.434 9.513 -3.058 686 HG22 ILE 88 HG22 ILE 88 -4.175 10.496 -4.318 687 HG23 ILE 88 HG23 ILE 88 -4.475 8.759 -4.265 688 HD11 ILE 88 HD11 ILE 88 -4.948 7.008 -2.688 689 HD12 ILE 88 HD12 ILE 88 -6.571 7.549 -3.111 690 HD13 ILE 88 HD13 ILE 88 -6.278 6.778 -1.554 691 H VAL 89 H VAL 89 -7.671 12.413 -2.729 692 HA VAL 89 HA VAL 89 -8.757 11.993 -0.004 693 HB VAL 89 HB VAL 89 -10.168 13.998 -0.358 694 HG11 VAL 89 HG11 VAL 89 -7.682 13.893 0.612 695 HG12 VAL 89 HG12 VAL 89 -8.555 15.416 0.459 696 HG13 VAL 89 HG13 VAL 89 -7.371 14.953 -0.761 697 HG21 VAL 89 HG21 VAL 89 -10.377 14.826 -2.439 698 HG22 VAL 89 HG22 VAL 89 -9.047 13.833 -3.030 699 HG23 VAL 89 HG23 VAL 89 -8.721 15.408 -2.313 700 H VAL 90 H VAL 90 -10.667 11.012 0.166 701 HA VAL 90 HA VAL 90 -11.932 10.122 -2.347 702 HB VAL 90 HB VAL 90 -11.236 8.497 0.111 703 HG11 VAL 90 HG11 VAL 90 -13.170 7.900 -2.135 704 HG12 VAL 90 HG12 VAL 90 -13.459 7.808 -0.396 705 HG13 VAL 90 HG13 VAL 90 -12.418 6.621 -1.179 706 HG21 VAL 90 HG21 VAL 90 -10.352 7.001 -1.854 707 HG22 VAL 90 HG22 VAL 90 -9.414 8.405 -1.347 708 HG23 VAL 90 HG23 VAL 90 -10.436 8.497 -2.782 709 H LYS 91 H LYS 91 -14.083 10.301 -2.376 710 HA LYS 91 HA LYS 91 -15.539 10.840 0.132 711 HB2 LYS 91 HB2 LYS 91 -17.097 12.226 -1.443 712 HB3 LYS 91 HB3 LYS 91 -15.707 12.999 -0.706 713 HG2 LYS 91 HG2 LYS 91 -15.734 11.872 -3.514 714 HG3 LYS 91 HG3 LYS 91 -16.026 13.560 -3.122 715 HD2 LYS 91 HD2 LYS 91 -13.770 13.722 -2.140 716 HD3 LYS 91 HD3 LYS 91 -13.449 12.047 -2.568 717 HE2 LYS 91 HE2 LYS 91 -13.780 12.570 -4.943 718 HE3 LYS 91 HE3 LYS 91 -14.080 14.259 -4.523 719 HZ1 LYS 91 HZ1 LYS 91 -11.609 12.763 -3.829 720 HZ2 LYS 91 HZ2 LYS 91 -11.894 14.421 -3.598 721 HZ3 LYS 91 HZ3 LYS 91 -11.759 13.793 -5.170 722 H CYS 92 H CYS 92 -17.394 9.642 0.267 723 HA CYS 92 HA CYS 92 -18.175 8.174 -2.164 724 HB2 CYS 92 HB2 CYS 92 -17.491 6.277 -1.168 725 HB3 CYS 92 HB3 CYS 92 -17.401 7.023 0.422 726 H LEU 93 H LEU 93 -20.291 7.924 -2.494 727 HA LEU 93 HA LEU 93 -21.742 10.215 -1.677 728 HB2 LEU 93 HB2 LEU 93 -22.469 7.835 -3.393 729 HB3 LEU 93 HB3 LEU 93 -23.551 9.200 -3.117 730 HG LEU 93 HG LEU 93 -20.703 9.524 -4.087 731 HD11 LEU 93 HD11 LEU 93 -22.185 8.174 -5.666 732 HD12 LEU 93 HD12 LEU 93 -21.454 9.631 -6.330 733 HD13 LEU 93 HD13 LEU 93 -23.150 9.638 -5.855 734 HD21 LEU 93 HD21 LEU 93 -21.309 11.625 -3.389 735 HD22 LEU 93 HD22 LEU 93 -23.033 11.340 -3.630 736 HD23 LEU 93 HD23 LEU 93 -21.991 11.674 -5.012 737 H GLU 94 H GLU 94 -21.906 6.788 -0.827 738 HA GLU 94 HA GLU 94 -24.450 6.895 0.316 739 HB2 GLU 94 HB2 GLU 94 -22.618 4.983 1.631 740 HB3 GLU 94 HB3 GLU 94 -24.189 4.722 0.900 741 HG2 GLU 94 HG2 GLU 94 -21.505 4.857 -0.453 742 HG3 GLU 94 HG3 GLU 94 -22.638 3.518 -0.430 743 H CYS 95 H CYS 95 -21.269 7.564 1.749 744 HA CYS 95 HA CYS 95 -22.465 8.124 4.374 745 HB2 CYS 95 HB2 CYS 95 -20.172 9.249 4.763 746 HB3 CYS 95 HB3 CYS 95 -20.256 7.495 4.762 747 H GLY 96 H GLY 96 -21.591 9.701 1.373 748 HA2 GLY 96 HA2 GLY 96 -21.817 11.899 0.670 749 HA3 GLY 96 HA3 GLY 96 -22.641 12.242 2.183 750 H HIS 97 H HIS 97 -19.504 10.817 2.459 751 HA HIS 97 HA HIS 97 -18.591 13.383 3.597 752 HB2 HIS 97 HB2 HIS 97 -18.492 10.675 4.931 753 HB3 HIS 97 HB3 HIS 97 -17.708 12.138 5.533 754 HD1 HIS 97 HD1 HIS 97 -19.627 14.310 5.379 755 HD2 HIS 97 HD2 HIS 97 -20.660 10.481 6.673 756 HE1 HIS 97 HE1 HIS 97 -21.803 14.517 6.676 757 HE2 HIS 97 HE2 HIS 97 -22.713 12.142 6.844 758 H ILE 98 H ILE 98 -16.410 13.725 3.798 759 HA ILE 98 HA ILE 98 -14.892 12.453 1.663 760 HB ILE 98 HB ILE 98 -15.109 14.933 1.827 761 HG12 ILE 98 HG12 ILE 98 -12.672 15.431 1.547 762 HG13 ILE 98 HG13 ILE 98 -12.314 13.799 2.111 763 HG21 ILE 98 HG21 ILE 98 -13.989 16.172 3.554 764 HG22 ILE 98 HG22 ILE 98 -13.281 14.708 4.236 765 HG23 ILE 98 HG23 ILE 98 -15.020 14.986 4.354 766 HD11 ILE 98 HD11 ILE 98 -14.156 14.319 -0.221 767 HD12 ILE 98 HD12 ILE 98 -13.354 12.810 0.225 768 HD13 ILE 98 HD13 ILE 98 -12.414 14.149 -0.430 769 H MET 99 H MET 99 -13.339 11.078 1.969 770 HA MET 99 HA MET 99 -12.088 10.784 4.638 771 HB2 MET 99 HB2 MET 99 -12.531 8.790 2.404 772 HB3 MET 99 HB3 MET 99 -11.558 8.460 3.839 773 HG2 MET 99 HG2 MET 99 -13.487 8.858 5.279 774 HG3 MET 99 HG3 MET 99 -14.473 9.301 3.887 775 HE1 MET 99 HE1 MET 99 -11.843 6.138 4.138 776 HE2 MET 99 HE2 MET 99 -12.937 5.196 5.150 777 HE3 MET 99 HE3 MET 99 -12.404 6.791 5.677 778 H ARG 100 H ARG 100 -9.891 10.971 4.782 779 HA ARG 100 HA ARG 100 -8.418 11.602 2.293 780 HB2 ARG 100 HB2 ARG 100 -7.907 12.332 5.193 781 HB3 ARG 100 HB3 ARG 100 -6.786 12.680 3.873 782 HG2 ARG 100 HG2 ARG 100 -8.488 13.987 2.714 783 HG3 ARG 100 HG3 ARG 100 -9.679 13.611 3.956 784 HD2 ARG 100 HD2 ARG 100 -8.254 14.776 5.638 785 HD3 ARG 100 HD3 ARG 100 -7.099 15.154 4.364 786 HE ARG 100 HE ARG 100 -9.589 16.102 3.520 787 HH11 ARG 100 HH11 ARG 100 -7.643 16.592 6.339 788 HH12 ARG 100 HH12 ARG 100 -7.824 18.310 6.320 789 HH21 ARG 100 HH21 ARG 100 -10.222 18.229 3.833 790 HH22 ARG 100 HH22 ARG 100 -9.479 19.172 5.085 791 H TYR 101 H TYR 101 -6.747 10.350 1.659 792 HA TYR 101 HA TYR 101 -5.624 8.413 3.596 793 HB2 TYR 101 HB2 TYR 101 -7.198 7.660 1.519 794 HB3 TYR 101 HB3 TYR 101 -5.625 7.666 0.733 795 HD1 TYR 101 HD1 TYR 101 -3.683 6.699 2.539 796 HD2 TYR 101 HD2 TYR 101 -7.737 5.439 1.955 797 HE1 TYR 101 HE1 TYR 101 -3.230 4.627 3.839 798 HE2 TYR 101 HE2 TYR 101 -7.183 3.223 2.921 799 HH TYR 101 HH TYR 101 -5.288 1.862 3.490 800 HA PRO 102 HA PRO 102 -1.983 10.802 2.160 801 HB2 PRO 102 HB2 PRO 102 -0.820 9.508 4.567 802 HB3 PRO 102 HB3 PRO 102 -0.827 11.215 4.092 803 HG2 PRO 102 HG2 PRO 102 -2.349 10.302 6.092 804 HG3 PRO 102 HG3 PRO 102 -2.902 11.590 5.009 805 HD2 PRO 102 HD2 PRO 102 -3.641 8.668 5.004 806 HD3 PRO 102 HD3 PRO 102 -4.676 10.090 4.735 807 H TYR 103 H TYR 103 -0.288 10.082 0.973 808 HA TYR 103 HA TYR 103 0.604 7.301 1.284 809 HB2 TYR 103 HB2 TYR 103 0.123 8.764 -1.295 810 HB3 TYR 103 HB3 TYR 103 1.202 7.377 -1.197 811 HD1 TYR 103 HD1 TYR 103 -2.335 8.465 -0.552 812 HD2 TYR 103 HD2 TYR 103 0.384 5.179 -1.038 813 HE1 TYR 103 HE1 TYR 103 -4.211 6.851 -0.355 814 HE2 TYR 103 HE2 TYR 103 -1.521 3.599 -1.038 815 HH TYR 103 HH TYR 103 -4.496 4.355 0.055 816 H ILE 104 H ILE 104 2.757 6.884 1.051 817 HA ILE 104 HA ILE 104 4.547 9.235 1.056 818 HB ILE 104 HB ILE 104 4.972 6.434 2.134 819 HG12 ILE 104 HG12 ILE 104 4.741 9.070 3.607 820 HG13 ILE 104 HG13 ILE 104 3.387 7.967 3.379 821 HG21 ILE 104 HG21 ILE 104 6.798 8.727 1.649 822 HG22 ILE 104 HG22 ILE 104 7.150 7.001 1.709 823 HG23 ILE 104 HG23 ILE 104 6.965 7.914 3.204 824 HD11 ILE 104 HD11 ILE 104 5.761 7.696 5.144 825 HD12 ILE 104 HD12 ILE 104 5.195 6.223 4.356 826 HD13 ILE 104 HD13 ILE 104 4.103 7.146 5.385 827 H LYS 105 H LYS 105 5.786 9.564 -0.598 828 HA LYS 105 HA LYS 105 6.475 9.325 -2.801 829 HB2 LYS 105 HB2 LYS 105 8.027 7.259 -1.232 830 HB3 LYS 105 HB3 LYS 105 8.473 7.807 -2.848 831 HG2 LYS 105 HG2 LYS 105 8.573 10.140 -2.030 832 HG3 LYS 105 HG3 LYS 105 8.162 9.586 -0.411 833 HD2 LYS 105 HD2 LYS 105 10.597 8.615 -1.933 834 HD3 LYS 105 HD3 LYS 105 10.631 9.963 -0.805 835 HE2 LYS 105 HE2 LYS 105 9.701 8.406 0.962 836 HE3 LYS 105 HE3 LYS 105 9.924 7.078 -0.172 837 HZ1 LYS 105 HZ1 LYS 105 12.305 8.415 -0.232 838 HZ2 LYS 105 HZ2 LYS 105 11.993 6.975 0.610 839 HZ3 LYS 105 HZ3 LYS 105 11.860 8.470 1.404 Start of MODEL 5 1 H LYS 15 H LYS 15 -18.066 -17.250 3.867 2 HA LYS 15 HA LYS 15 -18.102 -19.972 2.998 3 HB2 LYS 15 HB2 LYS 15 -19.285 -18.886 4.966 4 HB3 LYS 15 HB3 LYS 15 -20.331 -18.081 3.800 5 HG2 LYS 15 HG2 LYS 15 -21.144 -20.210 2.968 6 HG3 LYS 15 HG3 LYS 15 -20.013 -21.091 3.997 7 HD2 LYS 15 HD2 LYS 15 -21.133 -20.113 6.000 8 HD3 LYS 15 HD3 LYS 15 -22.272 -19.291 4.937 9 HE2 LYS 15 HE2 LYS 15 -21.897 -22.301 5.022 10 HE3 LYS 15 HE3 LYS 15 -23.159 -21.438 5.896 11 HZ1 LYS 15 HZ1 LYS 15 -24.314 -21.822 4.031 12 HZ2 LYS 15 HZ2 LYS 15 -22.924 -22.024 3.072 13 HZ3 LYS 15 HZ3 LYS 15 -23.485 -20.460 3.439 14 H GLU 16 H GLU 16 -19.920 -20.701 1.511 15 HA GLU 16 HA GLU 16 -19.600 -19.560 -1.028 16 HB2 GLU 16 HB2 GLU 16 -20.210 -21.915 -0.613 17 HB3 GLU 16 HB3 GLU 16 -21.805 -21.400 -0.072 18 HG2 GLU 16 HG2 GLU 16 -22.249 -20.420 -2.293 19 HG3 GLU 16 HG3 GLU 16 -20.638 -20.884 -2.821 20 H ARG 17 H ARG 17 -22.115 -19.162 1.386 21 HA ARG 17 HA ARG 17 -24.069 -17.863 -0.187 22 HB2 ARG 17 HB2 ARG 17 -24.466 -18.903 2.020 23 HB3 ARG 17 HB3 ARG 17 -23.489 -17.655 2.789 24 HG2 ARG 17 HG2 ARG 17 -25.067 -15.936 1.941 25 HG3 ARG 17 HG3 ARG 17 -26.047 -17.212 1.212 26 HD2 ARG 17 HD2 ARG 17 -26.257 -18.258 3.483 27 HD3 ARG 17 HD3 ARG 17 -25.418 -16.864 4.157 28 HE ARG 17 HE ARG 17 -27.718 -16.113 2.600 29 HH11 ARG 17 HH11 ARG 17 -26.457 -16.872 5.746 30 HH12 ARG 17 HH12 ARG 17 -27.963 -16.588 6.552 31 HH21 ARG 17 HH21 ARG 17 -29.532 -15.341 3.761 32 HH22 ARG 17 HH22 ARG 17 -29.281 -15.048 5.448 33 H ILE 18 H ILE 18 -21.459 -16.563 1.851 34 HA ILE 18 HA ILE 18 -22.290 -13.861 1.574 35 HB ILE 18 HB ILE 18 -20.897 -14.702 3.448 36 HG12 ILE 18 HG12 ILE 18 -19.564 -12.418 1.975 37 HG13 ILE 18 HG13 ILE 18 -21.141 -12.261 2.753 38 HG21 ILE 18 HG21 ILE 18 -18.412 -14.325 1.855 39 HG22 ILE 18 HG22 ILE 18 -19.284 -15.841 1.612 40 HG23 ILE 18 HG23 ILE 18 -18.739 -15.389 3.225 41 HD11 ILE 18 HD11 ILE 18 -20.249 -12.281 4.844 42 HD12 ILE 18 HD12 ILE 18 -18.778 -11.782 4.015 43 HD13 ILE 18 HD13 ILE 18 -19.018 -13.477 4.432 44 H ASP 19 H ASP 19 -20.123 -15.934 -0.180 45 HA ASP 19 HA ASP 19 -18.735 -14.022 -1.719 46 HB2 ASP 19 HB2 ASP 19 -19.319 -16.956 -1.943 47 HB3 ASP 19 HB3 ASP 19 -18.582 -16.127 -3.308 48 H ILE 20 H ILE 20 -21.781 -15.733 -2.221 49 HA ILE 20 HA ILE 20 -22.323 -14.896 -4.854 50 HB ILE 20 HB ILE 20 -24.196 -15.538 -2.557 51 HG12 ILE 20 HG12 ILE 20 -23.535 -17.157 -5.020 52 HG13 ILE 20 HG13 ILE 20 -22.663 -17.359 -3.501 53 HG21 ILE 20 HG21 ILE 20 -25.683 -15.961 -4.767 54 HG22 ILE 20 HG22 ILE 20 -24.683 -14.628 -5.350 55 HG23 ILE 20 HG23 ILE 20 -25.677 -14.425 -3.906 56 HD11 ILE 20 HD11 ILE 20 -25.210 -18.443 -4.283 57 HD12 ILE 20 HD12 ILE 20 -25.447 -17.401 -2.882 58 HD13 ILE 20 HD13 ILE 20 -24.308 -18.741 -2.796 59 H LEU 21 H LEU 21 -23.131 -13.427 -1.727 60 HA LEU 21 HA LEU 21 -24.458 -11.148 -2.743 61 HB2 LEU 21 HB2 LEU 21 -22.963 -11.599 -0.144 62 HB3 LEU 21 HB3 LEU 21 -23.868 -10.130 -0.505 63 HG LEU 21 HG LEU 21 -25.104 -12.891 -0.665 64 HD11 LEU 21 HD11 LEU 21 -24.400 -12.480 1.649 65 HD12 LEU 21 HD12 LEU 21 -26.157 -12.357 1.517 66 HD13 LEU 21 HD13 LEU 21 -25.177 -10.891 1.616 67 HD21 LEU 21 HD21 LEU 21 -27.117 -11.132 -0.190 68 HD22 LEU 21 HD22 LEU 21 -26.596 -11.590 -1.808 69 HD23 LEU 21 HD23 LEU 21 -26.010 -10.093 -1.083 70 H PHE 22 H PHE 22 -21.025 -11.738 -2.007 71 HA PHE 22 HA PHE 22 -20.081 -9.154 -2.429 72 HB2 PHE 22 HB2 PHE 22 -18.707 -10.941 -1.485 73 HB3 PHE 22 HB3 PHE 22 -18.735 -11.801 -3.020 74 HD1 PHE 22 HD1 PHE 22 -17.391 -8.910 -1.194 75 HD2 PHE 22 HD2 PHE 22 -17.249 -11.246 -4.771 76 HE1 PHE 22 HE1 PHE 22 -15.427 -7.603 -1.964 77 HE2 PHE 22 HE2 PHE 22 -15.367 -9.878 -5.610 78 HZ PHE 22 HZ PHE 22 -14.519 -7.997 -4.236 79 H SER 23 H SER 23 -20.599 -11.753 -4.847 80 HA SER 23 HA SER 23 -19.426 -10.293 -7.018 81 HB2 SER 23 HB2 SER 23 -20.576 -11.940 -8.454 82 HB3 SER 23 HB3 SER 23 -19.674 -12.715 -7.156 83 HG SER 23 HG SER 23 -21.891 -12.454 -6.045 84 H LEU 24 H LEU 24 -22.690 -10.704 -5.769 85 HA LEU 24 HA LEU 24 -24.063 -9.184 -7.712 86 HB2 LEU 24 HB2 LEU 24 -24.672 -9.835 -4.822 87 HB3 LEU 24 HB3 LEU 24 -25.803 -8.994 -5.886 88 HG LEU 24 HG LEU 24 -24.573 -11.678 -6.562 89 HD11 LEU 24 HD11 LEU 24 -26.395 -11.218 -4.524 90 HD12 LEU 24 HD12 LEU 24 -26.168 -12.748 -5.370 91 HD13 LEU 24 HD13 LEU 24 -27.422 -11.630 -5.897 92 HD21 LEU 24 HD21 LEU 24 -26.414 -9.782 -7.879 93 HD22 LEU 24 HD22 LEU 24 -26.959 -11.461 -7.888 94 HD23 LEU 24 HD23 LEU 24 -25.398 -11.037 -8.585 95 H ALA 25 H ALA 25 -22.588 -8.310 -4.619 96 HA ALA 25 HA ALA 25 -23.423 -5.631 -4.535 97 HB1 ALA 25 HB1 ALA 25 -22.420 -6.856 -2.619 98 HB2 ALA 25 HB2 ALA 25 -21.639 -5.300 -2.917 99 HB3 ALA 25 HB3 ALA 25 -20.855 -6.794 -3.432 100 H GLU 26 H GLU 26 -20.529 -7.130 -5.960 101 HA GLU 26 HA GLU 26 -19.310 -4.735 -6.765 102 HB2 GLU 26 HB2 GLU 26 -18.166 -6.921 -6.679 103 HB3 GLU 26 HB3 GLU 26 -19.113 -7.463 -8.062 104 HG2 GLU 26 HG2 GLU 26 -18.165 -5.665 -9.443 105 HG3 GLU 26 HG3 GLU 26 -17.249 -5.073 -8.064 106 H ARG 27 H ARG 27 -21.633 -6.833 -8.504 107 HA ARG 27 HA ARG 27 -21.526 -5.372 -10.936 108 HB2 ARG 27 HB2 ARG 27 -22.470 -7.635 -10.777 109 HB3 ARG 27 HB3 ARG 27 -23.808 -7.008 -9.815 110 HG2 ARG 27 HG2 ARG 27 -24.451 -5.526 -11.700 111 HG3 ARG 27 HG3 ARG 27 -23.126 -6.184 -12.658 112 HD2 ARG 27 HD2 ARG 27 -24.137 -8.427 -12.526 113 HD3 ARG 27 HD3 ARG 27 -25.443 -7.783 -11.535 114 HE ARG 27 HE ARG 27 -26.359 -6.755 -13.432 115 HH11 ARG 27 HH11 ARG 27 -23.202 -8.027 -14.148 116 HH12 ARG 27 HH12 ARG 27 -23.517 -8.160 -15.841 117 HH21 ARG 27 HH21 ARG 27 -26.523 -6.435 -15.640 118 HH22 ARG 27 HH22 ARG 27 -25.304 -7.045 -16.702 119 H VAL 28 H VAL 28 -23.768 -5.116 -8.175 120 HA VAL 28 HA VAL 28 -25.377 -3.094 -9.323 121 HB VAL 28 HB VAL 28 -26.108 -4.471 -7.428 122 HG11 VAL 28 HG11 VAL 28 -25.242 -4.188 -5.215 123 HG12 VAL 28 HG12 VAL 28 -24.255 -2.811 -5.709 124 HG13 VAL 28 HG13 VAL 28 -23.855 -4.435 -6.276 125 HG21 VAL 28 HG21 VAL 28 -26.617 -2.264 -5.901 126 HG22 VAL 28 HG22 VAL 28 -27.524 -2.704 -7.343 127 HG23 VAL 28 HG23 VAL 28 -26.228 -1.522 -7.450 128 H PHE 29 H PHE 29 -22.487 -3.062 -7.409 129 HA PHE 29 HA PHE 29 -22.426 -0.573 -6.367 130 HB2 PHE 29 HB2 PHE 29 -20.813 -2.037 -5.650 131 HB3 PHE 29 HB3 PHE 29 -20.371 -2.530 -7.273 132 HD1 PHE 29 HD1 PHE 29 -20.574 0.794 -5.585 133 HD2 PHE 29 HD2 PHE 29 -18.064 -2.305 -7.004 134 HE1 PHE 29 HE1 PHE 29 -18.670 2.373 -5.767 135 HE2 PHE 29 HE2 PHE 29 -16.075 -0.884 -6.642 136 HZ PHE 29 HZ PHE 29 -16.405 1.507 -6.061 137 HA PRO 30 HA PRO 30 -20.410 1.424 -10.316 138 HB2 PRO 30 HB2 PRO 30 -20.639 -0.026 -12.641 139 HB3 PRO 30 HB3 PRO 30 -19.202 -0.018 -11.606 140 HG2 PRO 30 HG2 PRO 30 -21.422 -2.009 -11.746 141 HG3 PRO 30 HG3 PRO 30 -19.676 -2.280 -11.627 142 HD2 PRO 30 HD2 PRO 30 -21.315 -2.461 -9.467 143 HD3 PRO 30 HD3 PRO 30 -19.648 -1.867 -9.326 144 H TYR 31 H TYR 31 -23.329 -0.596 -10.642 145 HA TYR 31 HA TYR 31 -24.641 1.143 -12.482 146 HB2 TYR 31 HB2 TYR 31 -25.634 -0.982 -10.626 147 HB3 TYR 31 HB3 TYR 31 -26.759 0.063 -11.489 148 HD1 TYR 31 HD1 TYR 31 -26.391 0.319 -14.039 149 HD2 TYR 31 HD2 TYR 31 -25.043 -3.020 -11.738 150 HE1 TYR 31 HE1 TYR 31 -25.749 -0.866 -16.119 151 HE2 TYR 31 HE2 TYR 31 -24.637 -4.292 -13.803 152 HH TYR 31 HH TYR 31 -25.190 -2.918 -16.993 153 H SER 32 H SER 32 -24.592 0.974 -8.952 154 HA SER 32 HA SER 32 -25.426 3.723 -8.691 155 HB2 SER 32 HB2 SER 32 -27.345 1.820 -7.416 156 HB3 SER 32 HB3 SER 32 -27.576 3.496 -7.888 157 HG SER 32 HG SER 32 -27.397 2.710 -10.099 158 HA PRO 33 HA PRO 33 -23.034 2.821 -4.946 159 HB2 PRO 33 HB2 PRO 33 -24.000 5.609 -4.407 160 HB3 PRO 33 HB3 PRO 33 -22.374 4.935 -4.237 161 HG2 PRO 33 HG2 PRO 33 -22.949 6.511 -6.270 162 HG3 PRO 33 HG3 PRO 33 -21.947 5.072 -6.518 163 HD2 PRO 33 HD2 PRO 33 -24.856 5.474 -7.188 164 HD3 PRO 33 HD3 PRO 33 -23.588 4.645 -8.119 165 H GLU 34 H GLU 34 -26.237 4.367 -5.107 166 HA GLU 34 HA GLU 34 -26.939 3.967 -2.405 167 HB2 GLU 34 HB2 GLU 34 -28.619 4.377 -4.882 168 HB3 GLU 34 HB3 GLU 34 -29.292 4.346 -3.251 169 HG2 GLU 34 HG2 GLU 34 -27.849 6.224 -2.602 170 HG3 GLU 34 HG3 GLU 34 -27.106 6.220 -4.198 171 H LEU 35 H LEU 35 -27.603 1.984 -5.269 172 HA LEU 35 HA LEU 35 -29.196 0.052 -3.884 173 HB2 LEU 35 HB2 LEU 35 -27.707 -0.069 -6.508 174 HB3 LEU 35 HB3 LEU 35 -28.678 -1.400 -5.878 175 HG LEU 35 HG LEU 35 -29.738 1.408 -6.294 176 HD11 LEU 35 HD11 LEU 35 -29.743 -1.030 -8.068 177 HD12 LEU 35 HD12 LEU 35 -29.263 0.616 -8.474 178 HD13 LEU 35 HD13 LEU 35 -30.968 0.229 -8.229 179 HD21 LEU 35 HD21 LEU 35 -31.837 -0.400 -6.370 180 HD22 LEU 35 HD22 LEU 35 -31.399 0.598 -4.990 181 HD23 LEU 35 HD23 LEU 35 -30.804 -1.056 -5.102 182 H ALA 36 H ALA 36 -25.786 0.356 -4.642 183 HA ALA 36 HA ALA 36 -24.940 -2.192 -3.745 184 HB1 ALA 36 HB1 ALA 36 -23.735 0.052 -4.887 185 HB2 ALA 36 HB2 ALA 36 -22.927 -1.448 -4.422 186 HB3 ALA 36 HB3 ALA 36 -22.975 -0.088 -3.304 187 H LYS 37 H LYS 37 -25.478 0.876 -2.159 188 HA LYS 37 HA LYS 37 -24.275 0.442 0.323 189 HB2 LYS 37 HB2 LYS 37 -25.458 2.492 -0.805 190 HB3 LYS 37 HB3 LYS 37 -26.917 1.850 -0.075 191 HG2 LYS 37 HG2 LYS 37 -24.427 2.655 1.441 192 HG3 LYS 37 HG3 LYS 37 -25.863 3.647 1.262 193 HD2 LYS 37 HD2 LYS 37 -27.211 1.932 2.421 194 HD3 LYS 37 HD3 LYS 37 -25.752 0.962 2.656 195 HE2 LYS 37 HE2 LYS 37 -24.721 2.788 3.943 196 HE3 LYS 37 HE3 LYS 37 -26.146 3.789 3.680 197 HZ1 LYS 37 HZ1 LYS 37 -25.717 2.044 5.745 198 HZ2 LYS 37 HZ2 LYS 37 -26.853 1.253 4.759 199 HZ3 LYS 37 HZ3 LYS 37 -27.175 2.814 5.352 200 H ARG 38 H ARG 38 -27.564 -0.279 -0.843 201 HA ARG 38 HA ARG 38 -28.516 -1.440 1.584 202 HB2 ARG 38 HB2 ARG 38 -29.409 -1.618 -1.301 203 HB3 ARG 38 HB3 ARG 38 -30.270 -2.415 0.014 204 HG2 ARG 38 HG2 ARG 38 -30.549 -0.252 1.160 205 HG3 ARG 38 HG3 ARG 38 -29.654 0.550 -0.131 206 HD2 ARG 38 HD2 ARG 38 -31.365 -0.134 -1.756 207 HD3 ARG 38 HD3 ARG 38 -32.269 -0.946 -0.481 208 HE ARG 38 HE ARG 38 -32.074 1.935 -0.934 209 HH11 ARG 38 HH11 ARG 38 -32.632 -0.435 1.486 210 HH12 ARG 38 HH12 ARG 38 -33.925 0.427 2.246 211 HH21 ARG 38 HH21 ARG 38 -33.635 3.133 0.087 212 HH22 ARG 38 HH22 ARG 38 -34.230 2.603 1.624 213 H TYR 39 H TYR 39 -27.154 -2.893 -1.395 214 HA TYR 39 HA TYR 39 -27.548 -5.554 -0.595 215 HB2 TYR 39 HB2 TYR 39 -25.681 -4.361 -2.625 216 HB3 TYR 39 HB3 TYR 39 -25.791 -6.095 -2.339 217 HD1 TYR 39 HD1 TYR 39 -28.184 -7.127 -2.361 218 HD2 TYR 39 HD2 TYR 39 -27.192 -3.370 -4.162 219 HE1 TYR 39 HE1 TYR 39 -30.339 -7.131 -3.572 220 HE2 TYR 39 HE2 TYR 39 -29.246 -3.480 -5.531 221 HH TYR 39 HH TYR 39 -31.238 -6.322 -5.635 222 H VAL 40 H VAL 40 -24.658 -3.543 -0.259 223 HA VAL 40 HA VAL 40 -22.997 -5.583 0.803 224 HB VAL 40 HB VAL 40 -22.850 -2.583 0.882 225 HG11 VAL 40 HG11 VAL 40 -20.466 -2.966 1.639 226 HG12 VAL 40 HG12 VAL 40 -20.889 -4.648 1.939 227 HG13 VAL 40 HG13 VAL 40 -21.668 -3.363 2.861 228 HG21 VAL 40 HG21 VAL 40 -21.810 -4.780 -0.826 229 HG22 VAL 40 HG22 VAL 40 -20.713 -3.434 -0.516 230 HG23 VAL 40 HG23 VAL 40 -22.281 -3.137 -1.267 231 H GLU 41 H GLU 41 -25.114 -3.201 2.251 232 HA GLU 41 HA GLU 41 -24.200 -3.427 4.937 233 HB2 GLU 41 HB2 GLU 41 -25.477 -1.495 3.984 234 HB3 GLU 41 HB3 GLU 41 -26.904 -2.523 3.871 235 HG2 GLU 41 HG2 GLU 41 -26.849 -2.867 6.316 236 HG3 GLU 41 HG3 GLU 41 -25.419 -1.837 6.420 237 H LEU 42 H LEU 42 -26.731 -4.865 3.025 238 HA LEU 42 HA LEU 42 -27.679 -6.855 4.763 239 HB2 LEU 42 HB2 LEU 42 -28.710 -6.369 2.671 240 HB3 LEU 42 HB3 LEU 42 -27.231 -6.683 1.782 241 HG LEU 42 HG LEU 42 -27.389 -9.081 2.420 242 HD11 LEU 42 HD11 LEU 42 -29.195 -8.228 4.367 243 HD12 LEU 42 HD12 LEU 42 -28.906 -9.895 3.873 244 HD13 LEU 42 HD13 LEU 42 -30.220 -8.978 3.145 245 HD21 LEU 42 HD21 LEU 42 -29.602 -9.412 1.060 246 HD22 LEU 42 HD22 LEU 42 -28.233 -8.609 0.292 247 HD23 LEU 42 HD23 LEU 42 -29.572 -7.657 0.929 248 H ALA 43 H ALA 43 -24.835 -6.983 2.536 249 HA ALA 43 HA ALA 43 -24.175 -9.619 3.166 250 HB1 ALA 43 HB1 ALA 43 -23.009 -8.912 1.319 251 HB2 ALA 43 HB2 ALA 43 -21.751 -8.763 2.543 252 HB3 ALA 43 HB3 ALA 43 -22.640 -7.338 2.013 253 H LEU 44 H LEU 44 -23.152 -6.624 4.782 254 HA LEU 44 HA LEU 44 -21.312 -7.841 6.555 255 HB2 LEU 44 HB2 LEU 44 -22.745 -5.219 6.518 256 HB3 LEU 44 HB3 LEU 44 -21.901 -5.722 7.979 257 HG LEU 44 HG LEU 44 -19.823 -6.026 6.680 258 HD11 LEU 44 HD11 LEU 44 -19.685 -5.272 4.356 259 HD12 LEU 44 HD12 LEU 44 -21.398 -4.875 4.364 260 HD13 LEU 44 HD13 LEU 44 -20.875 -6.559 4.483 261 HD21 LEU 44 HD21 LEU 44 -21.218 -3.508 7.104 262 HD22 LEU 44 HD22 LEU 44 -20.091 -3.391 5.753 263 HD23 LEU 44 HD23 LEU 44 -19.512 -3.890 7.341 264 H LEU 45 H LEU 45 -24.775 -7.110 6.929 265 HA LEU 45 HA LEU 45 -25.044 -8.067 9.557 266 HB2 LEU 45 HB2 LEU 45 -26.779 -6.749 8.426 267 HB3 LEU 45 HB3 LEU 45 -27.094 -8.084 7.327 268 HG LEU 45 HG LEU 45 -27.235 -8.574 10.292 269 HD11 LEU 45 HD11 LEU 45 -29.586 -7.895 10.319 270 HD12 LEU 45 HD12 LEU 45 -29.481 -7.382 8.638 271 HD13 LEU 45 HD13 LEU 45 -28.574 -6.522 9.878 272 HD21 LEU 45 HD21 LEU 45 -27.808 -10.038 7.910 273 HD22 LEU 45 HD22 LEU 45 -29.340 -9.737 8.720 274 HD23 LEU 45 HD23 LEU 45 -28.037 -10.551 9.580 275 H VAL 46 H VAL 46 -25.334 -9.716 6.441 276 HA VAL 46 HA VAL 46 -25.843 -12.305 7.424 277 HB VAL 46 HB VAL 46 -24.524 -11.309 4.894 278 HG11 VAL 46 HG11 VAL 46 -23.729 -13.472 4.824 279 HG12 VAL 46 HG12 VAL 46 -25.363 -13.778 4.229 280 HG13 VAL 46 HG13 VAL 46 -24.974 -14.078 5.919 281 HG21 VAL 46 HG21 VAL 46 -26.995 -10.846 5.434 282 HG22 VAL 46 HG22 VAL 46 -27.241 -12.585 5.302 283 HG23 VAL 46 HG23 VAL 46 -26.670 -11.667 3.909 284 H GLN 47 H GLN 47 -22.830 -10.544 6.835 285 HA GLN 47 HA GLN 47 -21.073 -12.729 6.952 286 HB2 GLN 47 HB2 GLN 47 -20.545 -10.478 6.046 287 HB3 GLN 47 HB3 GLN 47 -20.593 -9.827 7.680 288 HG2 GLN 47 HG2 GLN 47 -18.741 -11.344 8.323 289 HG3 GLN 47 HG3 GLN 47 -18.675 -11.945 6.669 290 HE21 GLN 47 HE21 GLN 47 -16.484 -11.088 6.367 291 HE22 GLN 47 HE22 GLN 47 -16.267 -9.431 6.087 292 H GLN 48 H GLN 48 -22.019 -10.424 9.546 293 HA GLN 48 HA GLN 48 -20.564 -11.728 11.572 294 HB2 GLN 48 HB2 GLN 48 -21.904 -10.472 13.162 295 HB3 GLN 48 HB3 GLN 48 -21.392 -9.447 11.824 296 HG2 GLN 48 HG2 GLN 48 -23.604 -9.750 10.753 297 HG3 GLN 48 HG3 GLN 48 -24.120 -10.737 12.121 298 HE21 GLN 48 HE21 GLN 48 -25.518 -9.451 13.369 299 HE22 GLN 48 HE22 GLN 48 -25.490 -7.756 13.305 300 H LYS 49 H LYS 49 -23.918 -12.195 10.497 301 HA LYS 49 HA LYS 49 -24.622 -14.132 12.416 302 HB2 LYS 49 HB2 LYS 49 -25.571 -13.755 9.567 303 HB3 LYS 49 HB3 LYS 49 -26.341 -14.828 10.729 304 HG2 LYS 49 HG2 LYS 49 -25.992 -11.839 11.107 305 HG3 LYS 49 HG3 LYS 49 -27.469 -12.612 10.544 306 HD2 LYS 49 HD2 LYS 49 -27.615 -13.860 12.671 307 HD3 LYS 49 HD3 LYS 49 -26.136 -13.078 13.236 308 HE2 LYS 49 HE2 LYS 49 -27.223 -10.872 13.035 309 HE3 LYS 49 HE3 LYS 49 -28.700 -11.649 12.463 310 HZ1 LYS 49 HZ1 LYS 49 -27.468 -12.375 15.051 311 HZ2 LYS 49 HZ2 LYS 49 -29.057 -12.653 14.516 312 HZ3 LYS 49 HZ3 LYS 49 -28.556 -11.078 14.915 313 H ALA 50 H ALA 50 -23.151 -14.456 9.212 314 HA ALA 50 HA ALA 50 -22.940 -17.303 9.296 315 HB1 ALA 50 HB1 ALA 50 -21.342 -15.360 7.620 316 HB2 ALA 50 HB2 ALA 50 -22.967 -15.894 7.214 317 HB3 ALA 50 HB3 ALA 50 -21.648 -17.062 7.273 318 H LYS 51 H LYS 51 -21.207 -14.805 10.815 319 HA LYS 51 HA LYS 51 -19.320 -14.776 12.100 320 HB2 LYS 51 HB2 LYS 51 -20.756 -16.946 12.858 321 HB3 LYS 51 HB3 LYS 51 -19.228 -17.714 12.429 322 HG2 LYS 51 HG2 LYS 51 -18.008 -16.218 13.918 323 HG3 LYS 51 HG3 LYS 51 -19.482 -15.309 14.257 324 HD2 LYS 51 HD2 LYS 51 -20.497 -17.310 15.270 325 HD3 LYS 51 HD3 LYS 51 -19.032 -18.234 14.930 326 HE2 LYS 51 HE2 LYS 51 -17.727 -16.703 16.365 327 HE3 LYS 51 HE3 LYS 51 -19.189 -15.771 16.698 328 HZ1 LYS 51 HZ1 LYS 51 -19.258 -17.149 18.462 329 HZ2 LYS 51 HZ2 LYS 51 -18.382 -18.384 17.692 330 HZ3 LYS 51 HZ3 LYS 51 -20.034 -18.181 17.357 331 H VAL 52 H VAL 52 -18.613 -14.505 9.577 332 HA VAL 52 HA VAL 52 -16.189 -16.190 9.380 333 HB VAL 52 HB VAL 52 -16.173 -15.438 6.955 334 HG11 VAL 52 HG11 VAL 52 -16.918 -17.684 7.754 335 HG12 VAL 52 HG12 VAL 52 -17.754 -17.160 6.296 336 HG13 VAL 52 HG13 VAL 52 -18.566 -17.065 7.858 337 HG21 VAL 52 HG21 VAL 52 -18.153 -13.702 7.742 338 HG22 VAL 52 HG22 VAL 52 -19.091 -15.015 7.032 339 HG23 VAL 52 HG23 VAL 52 -17.862 -14.195 6.074 340 H LYS 53 H LYS 53 -14.284 -15.253 9.602 341 HA LYS 53 HA LYS 53 -14.141 -12.312 9.755 342 HB2 LYS 53 HB2 LYS 53 -12.149 -14.453 10.550 343 HB3 LYS 53 HB3 LYS 53 -11.926 -12.723 10.786 344 HG2 LYS 53 HG2 LYS 53 -14.185 -14.357 11.982 345 HG3 LYS 53 HG3 LYS 53 -12.723 -13.891 12.846 346 HD2 LYS 53 HD2 LYS 53 -13.288 -11.508 12.493 347 HD3 LYS 53 HD3 LYS 53 -14.759 -11.982 11.643 348 HE2 LYS 53 HE2 LYS 53 -15.577 -13.115 13.672 349 HE3 LYS 53 HE3 LYS 53 -14.101 -12.669 14.528 350 HZ1 LYS 53 HZ1 LYS 53 -16.210 -10.874 13.476 351 HZ2 LYS 53 HZ2 LYS 53 -14.683 -10.310 13.966 352 HZ3 LYS 53 HZ3 LYS 53 -15.712 -11.069 15.088 353 H ILE 54 H ILE 54 -13.503 -11.265 8.009 354 HA ILE 54 HA ILE 54 -11.192 -12.280 6.503 355 HB ILE 54 HB ILE 54 -12.473 -11.355 4.404 356 HG12 ILE 54 HG12 ILE 54 -14.811 -12.253 6.109 357 HG13 ILE 54 HG13 ILE 54 -14.397 -10.555 5.900 358 HG21 ILE 54 HG21 ILE 54 -13.583 -13.673 4.189 359 HG22 ILE 54 HG22 ILE 54 -12.943 -14.000 5.792 360 HG23 ILE 54 HG23 ILE 54 -11.843 -13.645 4.460 361 HD11 ILE 54 HD11 ILE 54 -14.681 -10.770 3.467 362 HD12 ILE 54 HD12 ILE 54 -16.143 -11.285 4.303 363 HD13 ILE 54 HD13 ILE 54 -15.035 -12.490 3.653 364 HA PRO 55 HA PRO 55 -10.458 -7.904 7.505 365 HB2 PRO 55 HB2 PRO 55 -7.743 -7.997 7.035 366 HB3 PRO 55 HB3 PRO 55 -8.514 -8.399 8.578 367 HG2 PRO 55 HG2 PRO 55 -7.366 -10.163 6.523 368 HG3 PRO 55 HG3 PRO 55 -7.540 -10.413 8.264 369 HD2 PRO 55 HD2 PRO 55 -9.171 -11.530 6.250 370 HD3 PRO 55 HD3 PRO 55 -9.529 -11.502 7.985 371 H ARG 56 H ARG 56 -9.777 -9.709 4.625 372 HA ARG 56 HA ARG 56 -9.039 -7.243 3.195 373 HB2 ARG 56 HB2 ARG 56 -8.515 -10.146 2.576 374 HB3 ARG 56 HB3 ARG 56 -8.172 -8.830 1.449 375 HG2 ARG 56 HG2 ARG 56 -6.754 -7.731 3.116 376 HG3 ARG 56 HG3 ARG 56 -7.120 -8.989 4.293 377 HD2 ARG 56 HD2 ARG 56 -6.029 -10.665 2.843 378 HD3 ARG 56 HD3 ARG 56 -5.669 -9.400 1.668 379 HE ARG 56 HE ARG 56 -4.064 -8.504 3.148 380 HH11 ARG 56 HH11 ARG 56 -5.966 -10.908 4.801 381 HH12 ARG 56 HH12 ARG 56 -4.654 -11.397 5.817 382 HH21 ARG 56 HH21 ARG 56 -2.618 -8.764 4.868 383 HH22 ARG 56 HH22 ARG 56 -2.950 -9.931 6.098 384 H LYS 57 H LYS 57 -11.098 -10.151 2.662 385 HA LYS 57 HA LYS 57 -11.777 -9.307 0.113 386 HB2 LYS 57 HB2 LYS 57 -13.207 -11.267 1.887 387 HB3 LYS 57 HB3 LYS 57 -13.687 -10.956 0.221 388 HG2 LYS 57 HG2 LYS 57 -11.397 -11.544 -0.521 389 HG3 LYS 57 HG3 LYS 57 -10.954 -11.904 1.145 390 HD2 LYS 57 HD2 LYS 57 -13.237 -13.262 -0.315 391 HD3 LYS 57 HD3 LYS 57 -11.610 -13.925 -0.253 392 HE2 LYS 57 HE2 LYS 57 -11.791 -13.848 2.278 393 HE3 LYS 57 HE3 LYS 57 -13.490 -13.425 2.068 394 HZ1 LYS 57 HZ1 LYS 57 -12.861 -15.661 0.467 395 HZ2 LYS 57 HZ2 LYS 57 -13.984 -15.538 1.739 396 HZ3 LYS 57 HZ3 LYS 57 -12.370 -15.955 2.068 397 H TRP 58 H TRP 58 -13.673 -8.787 3.090 398 HA TRP 58 HA TRP 58 -15.394 -6.993 1.490 399 HB2 TRP 58 HB2 TRP 58 -15.986 -8.667 3.834 400 HB3 TRP 58 HB3 TRP 58 -16.557 -7.007 3.976 401 HD1 TRP 58 HD1 TRP 58 -17.370 -10.235 2.308 402 HE1 TRP 58 HE1 TRP 58 -19.459 -9.906 0.806 403 HE3 TRP 58 HE3 TRP 58 -17.121 -5.225 1.755 404 HZ2 TRP 58 HZ2 TRP 58 -20.630 -7.644 -0.702 405 HZ3 TRP 58 HZ3 TRP 58 -18.277 -4.157 -0.153 406 HH2 TRP 58 HH2 TRP 58 -19.798 -5.480 -1.584 407 H LYS 59 H LYS 59 -13.167 -7.122 4.198 408 HA LYS 59 HA LYS 59 -13.963 -4.711 5.405 409 HB2 LYS 59 HB2 LYS 59 -12.492 -6.611 6.312 410 HB3 LYS 59 HB3 LYS 59 -11.165 -5.795 5.493 411 HG2 LYS 59 HG2 LYS 59 -11.541 -3.772 6.769 412 HG3 LYS 59 HG3 LYS 59 -12.997 -4.449 7.497 413 HD2 LYS 59 HD2 LYS 59 -11.591 -6.259 8.512 414 HD3 LYS 59 HD3 LYS 59 -10.163 -5.470 7.853 415 HE2 LYS 59 HE2 LYS 59 -12.081 -4.221 9.845 416 HE3 LYS 59 HE3 LYS 59 -10.493 -4.885 10.216 417 HZ1 LYS 59 HZ1 LYS 59 -11.134 -2.332 9.204 418 HZ2 LYS 59 HZ2 LYS 59 -10.120 -3.145 8.108 419 HZ3 LYS 59 HZ3 LYS 59 -9.634 -2.937 9.721 420 H ARG 60 H ARG 60 -11.498 -5.397 2.986 421 HA ARG 60 HA ARG 60 -10.528 -2.663 2.949 422 HB2 ARG 60 HB2 ARG 60 -9.746 -5.094 1.337 423 HB3 ARG 60 HB3 ARG 60 -8.963 -3.519 1.206 424 HG2 ARG 60 HG2 ARG 60 -9.220 -5.081 3.792 425 HG3 ARG 60 HG3 ARG 60 -7.790 -5.107 2.771 426 HD2 ARG 60 HD2 ARG 60 -7.595 -2.635 3.043 427 HD3 ARG 60 HD3 ARG 60 -8.990 -2.663 4.117 428 HE ARG 60 HE ARG 60 -6.768 -4.369 4.892 429 HH11 ARG 60 HH11 ARG 60 -8.640 -1.472 5.415 430 HH12 ARG 60 HH12 ARG 60 -7.691 -1.011 6.790 431 HH21 ARG 60 HH21 ARG 60 -6.055 -4.008 7.053 432 HH22 ARG 60 HH22 ARG 60 -6.187 -2.387 7.642 433 H ARG 61 H ARG 61 -12.964 -4.419 1.401 434 HA ARG 61 HA ARG 61 -12.733 -2.887 -1.081 435 HB2 ARG 61 HB2 ARG 61 -14.178 -5.465 -0.496 436 HB3 ARG 61 HB3 ARG 61 -14.373 -4.559 -2.000 437 HG2 ARG 61 HG2 ARG 61 -11.960 -4.665 -2.400 438 HG3 ARG 61 HG3 ARG 61 -11.720 -5.523 -0.880 439 HD2 ARG 61 HD2 ARG 61 -13.125 -7.387 -1.748 440 HD3 ARG 61 HD3 ARG 61 -13.305 -6.516 -3.267 441 HE ARG 61 HE ARG 61 -10.595 -6.657 -2.882 442 HH11 ARG 61 HH11 ARG 61 -12.951 -9.157 -2.708 443 HH12 ARG 61 HH12 ARG 61 -12.253 -10.087 -3.999 444 HH21 ARG 61 HH21 ARG 61 -9.407 -8.152 -4.115 445 HH22 ARG 61 HH22 ARG 61 -9.981 -9.781 -4.172 446 H TYR 62 H TYR 62 -14.025 -2.045 1.612 447 HA TYR 62 HA TYR 62 -16.415 -0.899 0.389 448 HB2 TYR 62 HB2 TYR 62 -17.994 -1.846 1.789 449 HB3 TYR 62 HB3 TYR 62 -16.902 -3.195 1.524 450 HD1 TYR 62 HD1 TYR 62 -14.638 -2.596 3.307 451 HD2 TYR 62 HD2 TYR 62 -18.722 -1.569 3.919 452 HE1 TYR 62 HE1 TYR 62 -14.268 -2.156 5.713 453 HE2 TYR 62 HE2 TYR 62 -18.435 -1.789 6.357 454 HH TYR 62 HH TYR 62 -16.900 -2.649 8.017 455 H CYS 63 H CYS 63 -17.411 0.750 1.737 456 HA CYS 63 HA CYS 63 -15.386 2.364 3.033 457 HB2 CYS 63 HB2 CYS 63 -16.953 3.521 1.643 458 HB3 CYS 63 HB3 CYS 63 -18.326 2.790 2.476 459 H LYS 64 H LYS 64 -15.476 3.162 5.121 460 HA LYS 64 HA LYS 64 -16.234 1.405 7.191 461 HB2 LYS 64 HB2 LYS 64 -14.479 3.184 7.322 462 HB3 LYS 64 HB3 LYS 64 -15.748 4.403 7.287 463 HG2 LYS 64 HG2 LYS 64 -16.683 3.508 9.388 464 HG3 LYS 64 HG3 LYS 64 -15.434 2.264 9.408 465 HD2 LYS 64 HD2 LYS 64 -13.693 4.023 9.526 466 HD3 LYS 64 HD3 LYS 64 -14.952 5.258 9.527 467 HE2 LYS 64 HE2 LYS 64 -15.878 4.335 11.613 468 HE3 LYS 64 HE3 LYS 64 -14.628 3.089 11.620 469 HZ1 LYS 64 HZ1 LYS 64 -13.419 4.535 12.772 470 HZ2 LYS 64 HZ2 LYS 64 -14.478 5.817 12.434 471 HZ3 LYS 64 HZ3 LYS 64 -13.246 5.422 11.334 472 H LYS 65 H LYS 65 -17.745 4.398 5.935 473 HA LYS 65 HA LYS 65 -20.106 3.789 7.504 474 HB2 LYS 65 HB2 LYS 65 -19.308 6.022 7.754 475 HB3 LYS 65 HB3 LYS 65 -19.462 6.329 6.028 476 HG2 LYS 65 HG2 LYS 65 -21.892 5.854 6.180 477 HG3 LYS 65 HG3 LYS 65 -21.721 5.500 7.894 478 HD2 LYS 65 HD2 LYS 65 -21.005 7.822 8.297 479 HD3 LYS 65 HD3 LYS 65 -21.185 8.182 6.579 480 HE2 LYS 65 HE2 LYS 65 -23.586 7.580 6.715 481 HE3 LYS 65 HE3 LYS 65 -23.396 7.211 8.427 482 HZ1 LYS 65 HZ1 LYS 65 -24.309 9.447 7.935 483 HZ2 LYS 65 HZ2 LYS 65 -22.821 9.868 7.235 484 HZ3 LYS 65 HZ3 LYS 65 -22.899 9.467 8.885 485 H CYS 66 H CYS 66 -19.287 3.453 4.064 486 HA CYS 66 HA CYS 66 -21.979 4.232 3.244 487 HB2 CYS 66 HB2 CYS 66 -20.177 2.427 1.642 488 HB3 CYS 66 HB3 CYS 66 -21.625 3.237 1.103 489 H HIS 67 H HIS 67 -20.242 1.346 4.258 490 HA HIS 67 HA HIS 67 -20.816 -0.883 4.287 491 HB2 HIS 67 HB2 HIS 67 -23.559 0.369 4.544 492 HB3 HIS 67 HB3 HIS 67 -23.265 -1.365 4.650 493 HD1 HIS 67 HD1 HIS 67 -24.363 -0.181 7.168 494 HD2 HIS 67 HD2 HIS 67 -20.248 -0.159 6.340 495 HE1 HIS 67 HE1 HIS 67 -23.164 0.436 9.327 496 HE2 HIS 67 HE2 HIS 67 -20.677 0.520 8.822 497 H ALA 68 H ALA 68 -20.357 0.497 1.942 498 HA ALA 68 HA ALA 68 -21.829 -1.054 -0.095 499 HB1 ALA 68 HB1 ALA 68 -20.801 1.712 -0.638 500 HB2 ALA 68 HB2 ALA 68 -22.382 1.495 0.107 501 HB3 ALA 68 HB3 ALA 68 -22.055 0.808 -1.488 502 H PHE 69 H PHE 69 -20.530 -1.416 -2.063 503 HA PHE 69 HA PHE 69 -17.894 -2.330 -1.295 504 HB2 PHE 69 HB2 PHE 69 -19.520 -3.409 -2.999 505 HB3 PHE 69 HB3 PHE 69 -19.025 -2.126 -4.094 506 HD1 PHE 69 HD1 PHE 69 -16.384 -1.805 -4.357 507 HD2 PHE 69 HD2 PHE 69 -18.524 -5.376 -3.431 508 HE1 PHE 69 HE1 PHE 69 -14.398 -3.159 -4.930 509 HE2 PHE 69 HE2 PHE 69 -16.748 -6.712 -4.484 510 HZ PHE 69 HZ PHE 69 -14.678 -5.616 -5.277 511 H LEU 70 H LEU 70 -15.948 -1.208 -1.705 512 HA LEU 70 HA LEU 70 -16.359 1.515 -2.785 513 HB2 LEU 70 HB2 LEU 70 -16.061 1.525 -0.390 514 HB3 LEU 70 HB3 LEU 70 -14.588 0.569 -0.532 515 HG LEU 70 HG LEU 70 -13.490 2.393 -1.732 516 HD11 LEU 70 HD11 LEU 70 -14.775 4.664 -1.640 517 HD12 LEU 70 HD12 LEU 70 -16.222 3.651 -1.611 518 HD13 LEU 70 HD13 LEU 70 -15.098 3.554 -2.967 519 HD21 LEU 70 HD21 LEU 70 -13.769 2.284 0.859 520 HD22 LEU 70 HD22 LEU 70 -14.804 3.697 0.632 521 HD23 LEU 70 HD23 LEU 70 -13.113 3.750 0.127 522 H VAL 71 H VAL 71 -15.505 1.757 -4.592 523 HA VAL 71 HA VAL 71 -12.634 1.336 -4.977 524 HB VAL 71 HB VAL 71 -14.775 0.750 -7.049 525 HG11 VAL 71 HG11 VAL 71 -13.036 0.443 -8.669 526 HG12 VAL 71 HG12 VAL 71 -11.780 0.687 -7.460 527 HG13 VAL 71 HG13 VAL 71 -12.796 2.037 -7.963 528 HG21 VAL 71 HG21 VAL 71 -13.782 -1.477 -7.095 529 HG22 VAL 71 HG22 VAL 71 -14.251 -1.077 -5.443 530 HG23 VAL 71 HG23 VAL 71 -12.556 -0.984 -5.923 531 HA PRO 72 HA PRO 72 -13.165 5.716 -5.856 532 HB2 PRO 72 HB2 PRO 72 -10.862 5.524 -7.723 533 HB3 PRO 72 HB3 PRO 72 -11.082 6.561 -6.306 534 HG2 PRO 72 HG2 PRO 72 -9.428 4.439 -6.329 535 HG3 PRO 72 HG3 PRO 72 -10.270 4.982 -4.872 536 HD2 PRO 72 HD2 PRO 72 -10.832 2.615 -6.604 537 HD3 PRO 72 HD3 PRO 72 -11.095 2.825 -4.860 538 H GLY 73 H GLY 73 -14.126 6.937 -7.362 539 HA2 GLY 73 HA2 GLY 73 -14.701 7.675 -9.504 540 HA3 GLY 73 HA3 GLY 73 -14.272 6.103 -10.156 541 H ILE 74 H ILE 74 -16.058 5.095 -7.653 542 HA ILE 74 HA ILE 74 -18.363 4.876 -9.497 543 HB ILE 74 HB ILE 74 -17.281 2.828 -7.561 544 HG12 ILE 74 HG12 ILE 74 -17.630 2.677 -10.571 545 HG13 ILE 74 HG13 ILE 74 -16.124 3.198 -9.824 546 HG21 ILE 74 HG21 ILE 74 -19.784 2.956 -9.267 547 HG22 ILE 74 HG22 ILE 74 -19.692 2.685 -7.534 548 HG23 ILE 74 HG23 ILE 74 -19.143 1.432 -8.651 549 HD11 ILE 74 HD11 ILE 74 -17.295 0.657 -8.811 550 HD12 ILE 74 HD12 ILE 74 -15.608 1.085 -9.093 551 HD13 ILE 74 HD13 ILE 74 -16.642 0.627 -10.446 552 H ASN 75 H ASN 75 -17.959 4.029 -6.029 553 HA ASN 75 HA ASN 75 -20.395 5.620 -5.442 554 HB2 ASN 75 HB2 ASN 75 -20.594 4.315 -3.411 555 HB3 ASN 75 HB3 ASN 75 -20.401 3.202 -4.761 556 HD21 ASN 75 HD21 ASN 75 -19.694 2.852 -1.834 557 HD22 ASN 75 HD22 ASN 75 -18.117 2.238 -1.933 558 H ALA 76 H ALA 76 -17.326 6.069 -5.667 559 HA ALA 76 HA ALA 76 -17.109 8.113 -3.666 560 HB1 ALA 76 HB1 ALA 76 -15.319 7.172 -2.385 561 HB2 ALA 76 HB2 ALA 76 -15.123 5.833 -3.516 562 HB3 ALA 76 HB3 ALA 76 -16.540 5.899 -2.472 563 H ARG 77 H ARG 77 -15.240 9.441 -4.095 564 HA ARG 77 HA ARG 77 -13.821 8.727 -6.578 565 HB2 ARG 77 HB2 ARG 77 -15.693 10.335 -7.045 566 HB3 ARG 77 HB3 ARG 77 -14.857 11.520 -6.048 567 HG2 ARG 77 HG2 ARG 77 -12.847 11.285 -7.511 568 HG3 ARG 77 HG3 ARG 77 -13.740 10.134 -8.504 569 HD2 ARG 77 HD2 ARG 77 -15.441 11.905 -8.947 570 HD3 ARG 77 HD3 ARG 77 -14.430 13.049 -8.065 571 HE ARG 77 HE ARG 77 -13.827 11.821 -10.669 572 HH11 ARG 77 HH11 ARG 77 -12.493 13.420 -7.911 573 HH12 ARG 77 HH12 ARG 77 -11.429 14.422 -8.834 574 HH21 ARG 77 HH21 ARG 77 -12.269 13.005 -11.863 575 HH22 ARG 77 HH22 ARG 77 -10.883 13.459 -10.936 576 H VAL 78 H VAL 78 -11.716 9.479 -6.769 577 HA VAL 78 HA VAL 78 -10.591 10.581 -4.268 578 HB VAL 78 HB VAL 78 -10.151 8.112 -4.612 579 HG11 VAL 78 HG11 VAL 78 -8.116 8.871 -6.670 580 HG12 VAL 78 HG12 VAL 78 -9.784 8.626 -7.194 581 HG13 VAL 78 HG13 VAL 78 -8.905 7.323 -6.393 582 HG21 VAL 78 HG21 VAL 78 -7.525 9.542 -4.777 583 HG22 VAL 78 HG22 VAL 78 -8.044 8.284 -3.657 584 HG23 VAL 78 HG23 VAL 78 -8.604 9.935 -3.440 585 H ARG 79 H ARG 79 -9.429 12.331 -4.504 586 HA ARG 79 HA ARG 79 -8.474 13.126 -7.191 587 HB2 ARG 79 HB2 ARG 79 -8.845 14.756 -4.657 588 HB3 ARG 79 HB3 ARG 79 -8.144 15.368 -6.154 589 HG2 ARG 79 HG2 ARG 79 -10.212 14.890 -7.361 590 HG3 ARG 79 HG3 ARG 79 -10.922 14.188 -5.917 591 HD2 ARG 79 HD2 ARG 79 -9.953 17.058 -6.102 592 HD3 ARG 79 HD3 ARG 79 -11.626 16.574 -6.366 593 HE ARG 79 HE ARG 79 -10.822 15.569 -3.872 594 HH11 ARG 79 HH11 ARG 79 -11.633 18.509 -5.489 595 HH12 ARG 79 HH12 ARG 79 -12.168 19.293 -4.039 596 HH21 ARG 79 HH21 ARG 79 -11.513 16.618 -2.009 597 HH22 ARG 79 HH22 ARG 79 -11.556 18.349 -2.004 598 H LEU 80 H LEU 80 -6.341 13.300 -7.562 599 HA LEU 80 HA LEU 80 -4.534 12.489 -5.345 600 HB2 LEU 80 HB2 LEU 80 -4.193 12.056 -8.333 601 HB3 LEU 80 HB3 LEU 80 -3.127 11.475 -7.057 602 HG LEU 80 HG LEU 80 -5.312 10.355 -6.118 603 HD11 LEU 80 HD11 LEU 80 -7.150 10.618 -7.392 604 HD12 LEU 80 HD12 LEU 80 -6.352 9.704 -8.666 605 HD13 LEU 80 HD13 LEU 80 -6.223 11.462 -8.633 606 HD21 LEU 80 HD21 LEU 80 -3.801 9.371 -8.549 607 HD22 LEU 80 HD22 LEU 80 -4.888 8.362 -7.598 608 HD23 LEU 80 HD23 LEU 80 -3.437 9.031 -6.857 609 H ARG 81 H ARG 81 -3.201 14.089 -4.734 610 HA ARG 81 HA ARG 81 -2.624 16.256 -6.651 611 HB2 ARG 81 HB2 ARG 81 -2.827 16.299 -3.643 612 HB3 ARG 81 HB3 ARG 81 -2.141 17.624 -4.579 613 HG2 ARG 81 HG2 ARG 81 -4.243 17.841 -5.827 614 HG3 ARG 81 HG3 ARG 81 -4.931 16.480 -4.946 615 HD2 ARG 81 HD2 ARG 81 -4.690 17.738 -2.827 616 HD3 ARG 81 HD3 ARG 81 -3.993 19.085 -3.717 617 HE ARG 81 HE ARG 81 -6.108 19.616 -4.571 618 HH11 ARG 81 HH11 ARG 81 -6.333 16.378 -3.339 619 HH12 ARG 81 HH12 ARG 81 -7.908 16.621 -2.674 620 HH21 ARG 81 HH21 ARG 81 -8.444 19.666 -3.899 621 HH22 ARG 81 HH22 ARG 81 -9.067 18.095 -4.254 622 H GLN 82 H GLN 82 -0.595 16.861 -7.092 623 HA GLN 82 HA GLN 82 1.582 15.247 -5.900 624 HB2 GLN 82 HB2 GLN 82 1.289 16.398 -8.682 625 HB3 GLN 82 HB3 GLN 82 2.786 15.697 -8.065 626 HG2 GLN 82 HG2 GLN 82 1.640 13.572 -7.645 627 HG3 GLN 82 HG3 GLN 82 0.111 14.261 -8.181 628 HE21 GLN 82 HE21 GLN 82 2.543 12.295 -9.249 629 HE22 GLN 82 HE22 GLN 82 2.359 12.547 -10.915 630 H LYS 83 H LYS 83 1.208 17.011 -4.300 631 HA LYS 83 HA LYS 83 2.913 19.373 -4.794 632 HB2 LYS 83 HB2 LYS 83 1.456 18.469 -2.280 633 HB3 LYS 83 HB3 LYS 83 2.195 20.047 -2.553 634 HG2 LYS 83 HG2 LYS 83 -0.128 18.893 -4.140 635 HG3 LYS 83 HG3 LYS 83 -0.272 20.095 -2.868 636 HD2 LYS 83 HD2 LYS 83 1.066 21.681 -4.185 637 HD3 LYS 83 HD3 LYS 83 1.247 20.476 -5.461 638 HE2 LYS 83 HE2 LYS 83 -1.201 20.409 -5.746 639 HE3 LYS 83 HE3 LYS 83 -1.397 21.604 -4.464 640 HZ1 LYS 83 HZ1 LYS 83 0.407 22.746 -6.135 641 HZ2 LYS 83 HZ2 LYS 83 -1.260 23.089 -6.094 642 HZ3 LYS 83 HZ3 LYS 83 -0.650 21.963 -7.210 643 H ARG 84 H ARG 84 5.026 19.424 -3.341 644 HA ARG 84 HA ARG 84 6.012 16.778 -2.927 645 HB2 ARG 84 HB2 ARG 84 6.858 19.440 -1.684 646 HB3 ARG 84 HB3 ARG 84 7.827 17.976 -1.675 647 HG2 ARG 84 HG2 ARG 84 8.072 18.044 -4.088 648 HG3 ARG 84 HG3 ARG 84 7.019 19.460 -4.188 649 HD2 ARG 84 HD2 ARG 84 8.600 20.684 -2.687 650 HD3 ARG 84 HD3 ARG 84 9.647 19.271 -2.669 651 HE ARG 84 HE ARG 84 9.278 19.953 -5.343 652 HH11 ARG 84 HH11 ARG 84 10.497 21.480 -2.484 653 HH12 ARG 84 HH12 ARG 84 11.630 22.459 -3.347 654 HH21 ARG 84 HH21 ARG 84 10.985 21.091 -6.417 655 HH22 ARG 84 HH22 ARG 84 11.487 22.528 -5.593 656 H MET 85 H MET 85 3.500 17.072 -1.590 657 HA MET 85 HA MET 85 4.583 15.254 0.420 658 HB2 MET 85 HB2 MET 85 1.960 16.297 1.181 659 HB3 MET 85 HB3 MET 85 3.416 16.168 2.164 660 HG2 MET 85 HG2 MET 85 4.253 18.271 1.184 661 HG3 MET 85 HG3 MET 85 2.818 18.386 0.170 662 HE1 MET 85 HE1 MET 85 3.411 20.458 3.884 663 HE2 MET 85 HE2 MET 85 3.830 20.715 2.195 664 HE3 MET 85 HE3 MET 85 4.573 19.390 3.099 665 HA PRO 86 HA PRO 86 1.790 13.366 -2.694 666 HB2 PRO 86 HB2 PRO 86 2.260 10.781 -1.315 667 HB3 PRO 86 HB3 PRO 86 2.457 11.195 -3.024 668 HG2 PRO 86 HG2 PRO 86 4.521 10.821 -1.304 669 HG3 PRO 86 HG3 PRO 86 4.611 11.828 -2.753 670 HD2 PRO 86 HD2 PRO 86 4.531 12.643 0.095 671 HD3 PRO 86 HD3 PRO 86 5.128 13.544 -1.314 672 H HIS 87 H HIS 87 -0.413 13.121 -2.514 673 HA HIS 87 HA HIS 87 -1.602 11.915 -0.184 674 HB2 HIS 87 HB2 HIS 87 -2.990 13.894 0.406 675 HB3 HIS 87 HB3 HIS 87 -1.281 14.074 0.775 676 HD1 HIS 87 HD1 HIS 87 -2.816 16.575 0.627 677 HD2 HIS 87 HD2 HIS 87 -0.356 15.071 -2.307 678 HE1 HIS 87 HE1 HIS 87 -2.641 18.403 -1.178 679 HE2 HIS 87 HE2 HIS 87 -0.623 17.651 -2.528 680 H ILE 88 H ILE 88 -3.675 11.233 -0.488 681 HA ILE 88 HA ILE 88 -5.086 12.187 -2.887 682 HB ILE 88 HB ILE 88 -5.997 9.945 -3.274 683 HG12 ILE 88 HG12 ILE 88 -4.036 9.003 -1.160 684 HG13 ILE 88 HG13 ILE 88 -5.762 9.190 -0.864 685 HG21 ILE 88 HG21 ILE 88 -2.970 9.844 -3.086 686 HG22 ILE 88 HG22 ILE 88 -3.832 10.746 -4.327 687 HG23 ILE 88 HG23 ILE 88 -3.994 8.991 -4.233 688 HD11 ILE 88 HD11 ILE 88 -4.622 7.450 -3.070 689 HD12 ILE 88 HD12 ILE 88 -6.295 7.522 -2.526 690 HD13 ILE 88 HD13 ILE 88 -5.057 6.846 -1.470 691 H VAL 89 H VAL 89 -7.354 12.445 -2.637 692 HA VAL 89 HA VAL 89 -8.333 12.052 0.123 693 HB VAL 89 HB VAL 89 -9.822 14.028 -0.226 694 HG11 VAL 89 HG11 VAL 89 -7.834 15.684 -0.026 695 HG12 VAL 89 HG12 VAL 89 -6.814 14.251 -0.152 696 HG13 VAL 89 HG13 VAL 89 -7.968 14.396 1.176 697 HG21 VAL 89 HG21 VAL 89 -9.211 15.650 -1.954 698 HG22 VAL 89 HG22 VAL 89 -9.678 14.133 -2.704 699 HG23 VAL 89 HG23 VAL 89 -7.970 14.565 -2.575 700 H VAL 90 H VAL 90 -10.217 11.074 0.391 701 HA VAL 90 HA VAL 90 -11.575 10.090 -2.048 702 HB VAL 90 HB VAL 90 -10.768 8.613 0.470 703 HG11 VAL 90 HG11 VAL 90 -12.936 8.048 -1.481 704 HG12 VAL 90 HG12 VAL 90 -12.763 7.541 0.198 705 HG13 VAL 90 HG13 VAL 90 -11.896 6.690 -1.079 706 HG21 VAL 90 HG21 VAL 90 -9.695 7.088 -1.215 707 HG22 VAL 90 HG22 VAL 90 -9.009 8.715 -1.187 708 HG23 VAL 90 HG23 VAL 90 -10.129 8.251 -2.468 709 H LYS 91 H LYS 91 -13.743 10.214 -2.016 710 HA LYS 91 HA LYS 91 -15.120 10.643 0.521 711 HB2 LYS 91 HB2 LYS 91 -16.648 12.334 -0.639 712 HB3 LYS 91 HB3 LYS 91 -15.083 12.903 -0.099 713 HG2 LYS 91 HG2 LYS 91 -15.678 12.070 -2.946 714 HG3 LYS 91 HG3 LYS 91 -15.748 13.728 -2.367 715 HD2 LYS 91 HD2 LYS 91 -13.354 13.609 -1.765 716 HD3 LYS 91 HD3 LYS 91 -13.271 11.968 -2.387 717 HE2 LYS 91 HE2 LYS 91 -13.911 12.748 -4.619 718 HE3 LYS 91 HE3 LYS 91 -13.983 14.406 -4.011 719 HZ1 LYS 91 HZ1 LYS 91 -11.826 14.551 -4.371 720 HZ2 LYS 91 HZ2 LYS 91 -11.720 12.912 -4.809 721 HZ3 LYS 91 HZ3 LYS 91 -11.558 13.375 -3.181 722 H CYS 92 H CYS 92 -17.221 9.795 0.538 723 HA CYS 92 HA CYS 92 -17.751 8.057 -1.801 724 HB2 CYS 92 HB2 CYS 92 -19.400 7.059 0.098 725 HB3 CYS 92 HB3 CYS 92 -17.800 6.425 -0.258 726 H LEU 93 H LEU 93 -19.679 8.165 -2.769 727 HA LEU 93 HA LEU 93 -21.331 10.439 -2.471 728 HB2 LEU 93 HB2 LEU 93 -21.684 7.801 -3.916 729 HB3 LEU 93 HB3 LEU 93 -22.834 9.129 -4.037 730 HG LEU 93 HG LEU 93 -19.875 9.462 -4.602 731 HD11 LEU 93 HD11 LEU 93 -20.849 7.843 -6.195 732 HD12 LEU 93 HD12 LEU 93 -20.446 9.364 -6.988 733 HD13 LEU 93 HD13 LEU 93 -22.125 8.998 -6.585 734 HD21 LEU 93 HD21 LEU 93 -20.986 11.414 -5.980 735 HD22 LEU 93 HD22 LEU 93 -20.735 11.596 -4.244 736 HD23 LEU 93 HD23 LEU 93 -22.329 11.172 -4.867 737 H GLU 94 H GLU 94 -21.733 7.073 -1.316 738 HA GLU 94 HA GLU 94 -24.370 7.405 -0.413 739 HB2 GLU 94 HB2 GLU 94 -22.227 5.453 0.436 740 HB3 GLU 94 HB3 GLU 94 -23.902 5.342 0.972 741 HG2 GLU 94 HG2 GLU 94 -22.965 5.332 -1.919 742 HG3 GLU 94 HG3 GLU 94 -23.471 3.913 -1.005 743 H CYS 95 H CYS 95 -21.320 7.711 1.383 744 HA CYS 95 HA CYS 95 -22.698 8.508 3.807 745 HB2 CYS 95 HB2 CYS 95 -19.764 8.641 3.149 746 HB3 CYS 95 HB3 CYS 95 -20.477 8.911 4.737 747 H GLY 96 H GLY 96 -21.285 10.073 1.016 748 HA2 GLY 96 HA2 GLY 96 -21.167 12.291 0.402 749 HA3 GLY 96 HA3 GLY 96 -22.195 12.676 1.776 750 H HIS 97 H HIS 97 -19.237 10.903 2.231 751 HA HIS 97 HA HIS 97 -18.324 13.134 3.936 752 HB2 HIS 97 HB2 HIS 97 -18.319 10.162 4.485 753 HB3 HIS 97 HB3 HIS 97 -17.437 11.338 5.458 754 HD1 HIS 97 HD1 HIS 97 -19.458 9.901 7.037 755 HD2 HIS 97 HD2 HIS 97 -20.426 13.338 4.843 756 HE1 HIS 97 HE1 HIS 97 -21.246 11.193 8.310 757 HE2 HIS 97 HE2 HIS 97 -22.218 12.899 6.685 758 H ILE 98 H ILE 98 -16.115 13.356 4.300 759 HA ILE 98 HA ILE 98 -14.545 12.468 1.971 760 HB ILE 98 HB ILE 98 -15.008 14.883 2.113 761 HG12 ILE 98 HG12 ILE 98 -12.646 15.697 1.989 762 HG13 ILE 98 HG13 ILE 98 -12.112 14.121 2.562 763 HG21 ILE 98 HG21 ILE 98 -14.035 16.231 3.897 764 HG22 ILE 98 HG22 ILE 98 -13.408 14.791 4.689 765 HG23 ILE 98 HG23 ILE 98 -15.151 15.048 4.572 766 HD11 ILE 98 HD11 ILE 98 -13.799 14.505 0.091 767 HD12 ILE 98 HD12 ILE 98 -12.992 13.024 0.610 768 HD13 ILE 98 HD13 ILE 98 -12.039 14.401 0.061 769 H MET 99 H MET 99 -12.796 11.373 2.205 770 HA MET 99 HA MET 99 -11.519 11.072 4.860 771 HB2 MET 99 HB2 MET 99 -12.009 8.975 2.734 772 HB3 MET 99 HB3 MET 99 -10.963 8.741 4.134 773 HG2 MET 99 HG2 MET 99 -12.845 9.101 5.650 774 HG3 MET 99 HG3 MET 99 -13.911 9.443 4.287 775 HE1 MET 99 HE1 MET 99 -11.078 6.519 4.641 776 HE2 MET 99 HE2 MET 99 -12.105 5.469 5.615 777 HE3 MET 99 HE3 MET 99 -11.738 7.101 6.171 778 H ARG 100 H ARG 100 -9.248 10.791 4.812 779 HA ARG 100 HA ARG 100 -7.973 11.643 2.277 780 HB2 ARG 100 HB2 ARG 100 -8.102 13.560 3.768 781 HB3 ARG 100 HB3 ARG 100 -7.444 12.615 5.097 782 HG2 ARG 100 HG2 ARG 100 -5.318 12.350 3.867 783 HG3 ARG 100 HG3 ARG 100 -5.971 13.296 2.532 784 HD2 ARG 100 HD2 ARG 100 -5.685 14.286 5.386 785 HD3 ARG 100 HD3 ARG 100 -4.555 14.653 4.089 786 HE ARG 100 HE ARG 100 -7.179 15.817 4.481 787 HH11 ARG 100 HH11 ARG 100 -4.769 15.023 2.129 788 HH12 ARG 100 HH12 ARG 100 -5.291 16.244 1.019 789 HH21 ARG 100 HH21 ARG 100 -7.960 17.190 2.848 790 HH22 ARG 100 HH22 ARG 100 -6.830 17.789 1.686 791 H TYR 101 H TYR 101 -6.345 10.360 1.658 792 HA TYR 101 HA TYR 101 -5.010 8.681 3.697 793 HB2 TYR 101 HB2 TYR 101 -6.315 7.892 1.300 794 HB3 TYR 101 HB3 TYR 101 -4.587 7.670 1.038 795 HD1 TYR 101 HD1 TYR 101 -7.340 6.920 3.481 796 HD2 TYR 101 HD2 TYR 101 -3.409 5.894 2.080 797 HE1 TYR 101 HE1 TYR 101 -7.527 4.664 4.528 798 HE2 TYR 101 HE2 TYR 101 -3.550 3.737 3.299 799 HH TYR 101 HH TYR 101 -4.828 3.254 5.732 800 HA PRO 102 HA PRO 102 -1.629 11.389 2.199 801 HB2 PRO 102 HB2 PRO 102 -0.171 11.264 4.476 802 HB3 PRO 102 HB3 PRO 102 -1.566 12.345 4.313 803 HG2 PRO 102 HG2 PRO 102 -1.353 9.730 5.716 804 HG3 PRO 102 HG3 PRO 102 -2.240 11.191 6.174 805 HD2 PRO 102 HD2 PRO 102 -3.364 8.946 4.935 806 HD3 PRO 102 HD3 PRO 102 -4.097 10.561 4.988 807 H TYR 103 H TYR 103 0.334 10.750 1.359 808 HA TYR 103 HA TYR 103 1.498 8.213 2.289 809 HB2 TYR 103 HB2 TYR 103 0.348 7.773 0.139 810 HB3 TYR 103 HB3 TYR 103 1.313 9.027 -0.625 811 HD1 TYR 103 HD1 TYR 103 1.446 5.759 1.109 812 HD2 TYR 103 HD2 TYR 103 3.624 8.619 -1.239 813 HE1 TYR 103 HE1 TYR 103 3.251 4.098 0.761 814 HE2 TYR 103 HE2 TYR 103 5.393 6.929 -1.639 815 HH TYR 103 HH TYR 103 6.242 5.012 -0.972 816 H ILE 104 H ILE 104 3.724 8.356 2.634 817 HA ILE 104 HA ILE 104 4.901 10.998 2.154 818 HB ILE 104 HB ILE 104 6.683 10.271 3.689 819 HG12 ILE 104 HG12 ILE 104 5.001 7.797 4.125 820 HG13 ILE 104 HG13 ILE 104 6.498 7.817 3.193 821 HG21 ILE 104 HG21 ILE 104 5.273 11.358 5.057 822 HG22 ILE 104 HG22 ILE 104 4.708 9.774 5.581 823 HG23 ILE 104 HG23 ILE 104 3.856 10.639 4.302 824 HD11 ILE 104 HD11 ILE 104 6.417 8.887 6.012 825 HD12 ILE 104 HD12 ILE 104 7.809 8.316 5.092 826 HD13 ILE 104 HD13 ILE 104 6.620 7.163 5.708 827 H LYS 105 H LYS 105 6.224 11.405 0.627 828 HA LYS 105 HA LYS 105 7.281 11.149 -1.381 829 HB2 LYS 105 HB2 LYS 105 8.943 9.476 0.500 830 HB3 LYS 105 HB3 LYS 105 9.466 9.943 -1.119 831 HG2 LYS 105 HG2 LYS 105 9.190 12.317 -0.545 832 HG3 LYS 105 HG3 LYS 105 8.645 11.876 1.071 833 HD2 LYS 105 HD2 LYS 105 10.825 10.808 1.519 834 HD3 LYS 105 HD3 LYS 105 11.373 11.245 -0.098 835 HE2 LYS 105 HE2 LYS 105 11.063 13.637 0.445 836 HE3 LYS 105 HE3 LYS 105 10.503 13.200 2.057 837 HZ1 LYS 105 HZ1 LYS 105 13.075 13.687 1.371 838 HZ2 LYS 105 HZ2 LYS 105 13.012 11.992 1.362 839 HZ3 LYS 105 HZ3 LYS 105 12.566 12.852 2.757 Start of MODEL 6 1 H LYS 15 H LYS 15 -18.706 -18.526 3.159 2 HA LYS 15 HA LYS 15 -16.315 -17.096 2.437 3 HB2 LYS 15 HB2 LYS 15 -15.374 -19.325 3.068 4 HB3 LYS 15 HB3 LYS 15 -16.482 -20.083 1.925 5 HG2 LYS 15 HG2 LYS 15 -15.509 -18.789 0.085 6 HG3 LYS 15 HG3 LYS 15 -14.437 -17.954 1.206 7 HD2 LYS 15 HD2 LYS 15 -13.375 -20.123 1.777 8 HD3 LYS 15 HD3 LYS 15 -14.434 -20.929 0.620 9 HE2 LYS 15 HE2 LYS 15 -12.420 -18.756 -0.054 10 HE3 LYS 15 HE3 LYS 15 -12.223 -20.476 -0.374 11 HZ1 LYS 15 HZ1 LYS 15 -14.437 -20.235 -1.617 12 HZ2 LYS 15 HZ2 LYS 15 -13.019 -19.666 -2.358 13 HZ3 LYS 15 HZ3 LYS 15 -14.091 -18.571 -1.623 14 H GLU 16 H GLU 16 -18.380 -19.772 1.238 15 HA GLU 16 HA GLU 16 -18.530 -18.788 -1.375 16 HB2 GLU 16 HB2 GLU 16 -20.442 -20.594 0.138 17 HB3 GLU 16 HB3 GLU 16 -20.508 -20.325 -1.601 18 HG2 GLU 16 HG2 GLU 16 -18.244 -21.229 -1.857 19 HG3 GLU 16 HG3 GLU 16 -18.111 -21.431 -0.113 20 H ARG 17 H ARG 17 -20.726 -18.456 1.372 21 HA ARG 17 HA ARG 17 -22.821 -17.080 0.132 22 HB2 ARG 17 HB2 ARG 17 -21.685 -17.020 2.951 23 HB3 ARG 17 HB3 ARG 17 -23.197 -16.226 2.523 24 HG2 ARG 17 HG2 ARG 17 -24.172 -18.366 1.858 25 HG3 ARG 17 HG3 ARG 17 -22.634 -19.180 2.143 26 HD2 ARG 17 HD2 ARG 17 -24.099 -19.500 4.077 27 HD3 ARG 17 HD3 ARG 17 -22.731 -18.489 4.527 28 HE ARG 17 HE ARG 17 -24.821 -16.796 3.721 29 HH11 ARG 17 HH11 ARG 17 -23.640 -18.731 6.308 30 HH12 ARG 17 HH12 ARG 17 -24.816 -18.186 7.452 31 HH21 ARG 17 HH21 ARG 17 -26.037 -15.715 5.336 32 HH22 ARG 17 HH22 ARG 17 -25.691 -16.079 6.991 33 H ILE 18 H ILE 18 -19.995 -15.854 1.869 34 HA ILE 18 HA ILE 18 -20.431 -13.114 1.401 35 HB ILE 18 HB ILE 18 -17.927 -14.720 1.923 36 HG12 ILE 18 HG12 ILE 18 -19.600 -14.728 3.722 37 HG13 ILE 18 HG13 ILE 18 -18.147 -13.847 4.185 38 HG21 ILE 18 HG21 ILE 18 -16.740 -12.896 1.359 39 HG22 ILE 18 HG22 ILE 18 -17.465 -12.113 2.765 40 HG23 ILE 18 HG23 ILE 18 -18.198 -11.917 1.172 41 HD11 ILE 18 HD11 ILE 18 -19.870 -11.914 3.037 42 HD12 ILE 18 HD12 ILE 18 -19.431 -12.105 4.733 43 HD13 ILE 18 HD13 ILE 18 -20.869 -12.906 4.101 44 H ASP 19 H ASP 19 -18.635 -15.552 -0.411 45 HA ASP 19 HA ASP 19 -17.414 -13.802 -2.261 46 HB2 ASP 19 HB2 ASP 19 -17.975 -16.750 -2.089 47 HB3 ASP 19 HB3 ASP 19 -17.364 -16.093 -3.606 48 H ILE 20 H ILE 20 -20.374 -15.777 -2.538 49 HA ILE 20 HA ILE 20 -21.114 -14.886 -5.114 50 HB ILE 20 HB ILE 20 -22.679 -16.007 -2.798 51 HG12 ILE 20 HG12 ILE 20 -21.053 -17.547 -3.800 52 HG13 ILE 20 HG13 ILE 20 -22.698 -18.061 -4.132 53 HG21 ILE 20 HG21 ILE 20 -24.267 -14.763 -4.050 54 HG22 ILE 20 HG22 ILE 20 -24.457 -16.440 -4.559 55 HG23 ILE 20 HG23 ILE 20 -23.587 -15.296 -5.588 56 HD11 ILE 20 HD11 ILE 20 -21.961 -18.252 -6.265 57 HD12 ILE 20 HD12 ILE 20 -20.591 -17.180 -5.989 58 HD13 ILE 20 HD13 ILE 20 -22.183 -16.503 -6.325 59 H LEU 21 H LEU 21 -21.859 -13.654 -1.876 60 HA LEU 21 HA LEU 21 -23.780 -11.754 -2.699 61 HB2 LEU 21 HB2 LEU 21 -23.619 -12.481 -0.365 62 HB3 LEU 21 HB3 LEU 21 -22.043 -11.707 -0.225 63 HG LEU 21 HG LEU 21 -23.040 -9.511 -0.669 64 HD11 LEU 21 HD11 LEU 21 -25.719 -9.644 -0.542 65 HD12 LEU 21 HD12 LEU 21 -25.427 -11.199 -1.318 66 HD13 LEU 21 HD13 LEU 21 -24.867 -9.711 -2.083 67 HD21 LEU 21 HD21 LEU 21 -23.055 -10.304 1.661 68 HD22 LEU 21 HD22 LEU 21 -24.598 -11.114 1.384 69 HD23 LEU 21 HD23 LEU 21 -24.508 -9.354 1.329 70 H PHE 22 H PHE 22 -20.328 -11.653 -2.258 71 HA PHE 22 HA PHE 22 -19.820 -8.924 -2.537 72 HB2 PHE 22 HB2 PHE 22 -18.127 -10.542 -1.809 73 HB3 PHE 22 HB3 PHE 22 -18.151 -11.312 -3.391 74 HD1 PHE 22 HD1 PHE 22 -17.102 -8.349 -1.480 75 HD2 PHE 22 HD2 PHE 22 -16.935 -10.448 -5.210 76 HE1 PHE 22 HE1 PHE 22 -15.380 -6.751 -2.352 77 HE2 PHE 22 HE2 PHE 22 -15.000 -9.059 -5.901 78 HZ PHE 22 HZ PHE 22 -14.065 -7.391 -4.339 79 H SER 23 H SER 23 -20.105 -11.482 -4.999 80 HA SER 23 HA SER 23 -19.411 -9.916 -7.255 81 HB2 SER 23 HB2 SER 23 -19.507 -12.384 -7.282 82 HB3 SER 23 HB3 SER 23 -21.257 -12.312 -7.083 83 HG SER 23 HG SER 23 -20.353 -12.467 -9.310 84 H LEU 24 H LEU 24 -22.572 -10.638 -5.741 85 HA LEU 24 HA LEU 24 -24.168 -9.168 -7.558 86 HB2 LEU 24 HB2 LEU 24 -24.559 -9.798 -4.624 87 HB3 LEU 24 HB3 LEU 24 -25.775 -9.016 -5.628 88 HG LEU 24 HG LEU 24 -24.567 -11.709 -6.310 89 HD11 LEU 24 HD11 LEU 24 -26.994 -10.933 -4.685 90 HD12 LEU 24 HD12 LEU 24 -25.719 -12.076 -4.262 91 HD13 LEU 24 HD13 LEU 24 -26.897 -12.490 -5.507 92 HD21 LEU 24 HD21 LEU 24 -25.525 -10.892 -8.274 93 HD22 LEU 24 HD22 LEU 24 -26.735 -9.944 -7.406 94 HD23 LEU 24 HD23 LEU 24 -26.916 -11.693 -7.541 95 H ALA 25 H ALA 25 -22.594 -8.190 -4.505 96 HA ALA 25 HA ALA 25 -23.551 -5.515 -4.493 97 HB1 ALA 25 HB1 ALA 25 -22.351 -5.391 -2.585 98 HB2 ALA 25 HB2 ALA 25 -20.861 -5.841 -3.412 99 HB3 ALA 25 HB3 ALA 25 -21.960 -7.092 -2.835 100 H GLU 26 H GLU 26 -20.725 -7.087 -5.915 101 HA GLU 26 HA GLU 26 -19.382 -4.736 -6.704 102 HB2 GLU 26 HB2 GLU 26 -18.327 -6.957 -6.500 103 HB3 GLU 26 HB3 GLU 26 -19.265 -7.523 -7.880 104 HG2 GLU 26 HG2 GLU 26 -18.188 -5.846 -9.320 105 HG3 GLU 26 HG3 GLU 26 -17.281 -5.231 -7.944 106 H ARG 27 H ARG 27 -21.630 -6.861 -8.479 107 HA ARG 27 HA ARG 27 -21.516 -5.475 -10.939 108 HB2 ARG 27 HB2 ARG 27 -22.497 -7.720 -10.680 109 HB3 ARG 27 HB3 ARG 27 -23.825 -7.038 -9.746 110 HG2 ARG 27 HG2 ARG 27 -24.412 -5.603 -11.723 111 HG3 ARG 27 HG3 ARG 27 -23.117 -6.386 -12.626 112 HD2 ARG 27 HD2 ARG 27 -24.225 -8.583 -12.261 113 HD3 ARG 27 HD3 ARG 27 -25.568 -7.749 -11.485 114 HE ARG 27 HE ARG 27 -25.091 -6.617 -14.044 115 HH11 ARG 27 HH11 ARG 27 -26.487 -9.352 -12.462 116 HH12 ARG 27 HH12 ARG 27 -27.358 -9.883 -13.858 117 HH21 ARG 27 HH21 ARG 27 -26.622 -7.086 -15.676 118 HH22 ARG 27 HH22 ARG 27 -27.095 -8.741 -15.838 119 H VAL 28 H VAL 28 -23.791 -5.136 -8.216 120 HA VAL 28 HA VAL 28 -25.262 -2.985 -9.286 121 HB VAL 28 HB VAL 28 -24.891 -4.274 -6.640 122 HG11 VAL 28 HG11 VAL 28 -24.824 -2.087 -5.762 123 HG12 VAL 28 HG12 VAL 28 -26.528 -2.523 -5.700 124 HG13 VAL 28 HG13 VAL 28 -25.940 -1.460 -6.976 125 HG21 VAL 28 HG21 VAL 28 -26.602 -4.781 -8.523 126 HG22 VAL 28 HG22 VAL 28 -27.423 -3.321 -7.981 127 HG23 VAL 28 HG23 VAL 28 -27.207 -4.674 -6.871 128 H PHE 29 H PHE 29 -22.384 -3.116 -7.313 129 HA PHE 29 HA PHE 29 -22.278 -0.660 -6.212 130 HB2 PHE 29 HB2 PHE 29 -20.652 -2.202 -5.598 131 HB3 PHE 29 HB3 PHE 29 -20.168 -2.509 -7.258 132 HD1 PHE 29 HD1 PHE 29 -20.586 0.754 -5.499 133 HD2 PHE 29 HD2 PHE 29 -17.868 -2.255 -6.785 134 HE1 PHE 29 HE1 PHE 29 -18.706 2.360 -5.450 135 HE2 PHE 29 HE2 PHE 29 -15.984 -0.882 -5.985 136 HZ PHE 29 HZ PHE 29 -16.402 1.553 -5.583 137 HA PRO 30 HA PRO 30 -20.337 1.474 -10.165 138 HB2 PRO 30 HB2 PRO 30 -20.597 0.062 -12.504 139 HB3 PRO 30 HB3 PRO 30 -19.133 0.062 -11.508 140 HG2 PRO 30 HG2 PRO 30 -21.302 -1.973 -11.687 141 HG3 PRO 30 HG3 PRO 30 -19.552 -2.192 -11.547 142 HD2 PRO 30 HD2 PRO 30 -21.262 -2.440 -9.424 143 HD3 PRO 30 HD3 PRO 30 -19.572 -1.923 -9.250 144 H TYR 31 H TYR 31 -23.136 -0.658 -10.377 145 HA TYR 31 HA TYR 31 -24.426 0.680 -12.534 146 HB2 TYR 31 HB2 TYR 31 -25.010 -1.612 -11.962 147 HB3 TYR 31 HB3 TYR 31 -25.563 -1.102 -10.369 148 HD1 TYR 31 HD1 TYR 31 -26.152 -0.737 -14.003 149 HD2 TYR 31 HD2 TYR 31 -27.678 0.200 -10.121 150 HE1 TYR 31 HE1 TYR 31 -28.433 -0.534 -14.950 151 HE2 TYR 31 HE2 TYR 31 -29.921 0.625 -11.101 152 HH TYR 31 HH TYR 31 -30.284 1.293 -14.322 153 H SER 32 H SER 32 -24.738 0.788 -9.049 154 HA SER 32 HA SER 32 -25.376 3.584 -8.959 155 HB2 SER 32 HB2 SER 32 -27.621 2.594 -9.494 156 HB3 SER 32 HB3 SER 32 -27.501 1.647 -8.012 157 HG SER 32 HG SER 32 -27.589 3.448 -6.817 158 HA PRO 33 HA PRO 33 -23.265 2.660 -5.040 159 HB2 PRO 33 HB2 PRO 33 -24.227 5.449 -4.490 160 HB3 PRO 33 HB3 PRO 33 -22.624 4.742 -4.246 161 HG2 PRO 33 HG2 PRO 33 -23.082 6.366 -6.281 162 HG3 PRO 33 HG3 PRO 33 -22.080 4.919 -6.501 163 HD2 PRO 33 HD2 PRO 33 -24.938 5.379 -7.313 164 HD3 PRO 33 HD3 PRO 33 -23.643 4.526 -8.184 165 H GLU 34 H GLU 34 -26.474 4.165 -5.254 166 HA GLU 34 HA GLU 34 -27.206 3.762 -2.566 167 HB2 GLU 34 HB2 GLU 34 -28.890 4.124 -5.049 168 HB3 GLU 34 HB3 GLU 34 -29.554 4.089 -3.417 169 HG2 GLU 34 HG2 GLU 34 -28.207 6.008 -2.777 170 HG3 GLU 34 HG3 GLU 34 -27.414 6.024 -4.349 171 H LEU 35 H LEU 35 -27.659 1.706 -5.404 172 HA LEU 35 HA LEU 35 -29.263 -0.264 -4.077 173 HB2 LEU 35 HB2 LEU 35 -27.515 -0.383 -6.538 174 HB3 LEU 35 HB3 LEU 35 -28.488 -1.739 -5.970 175 HG LEU 35 HG LEU 35 -29.615 0.995 -6.623 176 HD11 LEU 35 HD11 LEU 35 -28.761 -1.140 -8.373 177 HD12 LEU 35 HD12 LEU 35 -29.433 0.436 -8.789 178 HD13 LEU 35 HD13 LEU 35 -30.506 -0.928 -8.487 179 HD21 LEU 35 HD21 LEU 35 -30.736 -1.573 -5.624 180 HD22 LEU 35 HD22 LEU 35 -31.675 -0.727 -6.854 181 HD23 LEU 35 HD23 LEU 35 -31.276 0.083 -5.340 182 H ALA 36 H ALA 36 -25.839 0.222 -4.636 183 HA ALA 36 HA ALA 36 -24.862 -2.194 -3.554 184 HB1 ALA 36 HB1 ALA 36 -23.211 0.256 -3.267 185 HB2 ALA 36 HB2 ALA 36 -23.727 -0.160 -4.901 186 HB3 ALA 36 HB3 ALA 36 -22.793 -1.318 -3.949 187 H LYS 37 H LYS 37 -25.684 0.888 -2.140 188 HA LYS 37 HA LYS 37 -24.632 0.576 0.447 189 HB2 LYS 37 HB2 LYS 37 -25.416 2.691 -0.323 190 HB3 LYS 37 HB3 LYS 37 -27.002 2.043 -0.706 191 HG2 LYS 37 HG2 LYS 37 -27.142 3.347 1.326 192 HG3 LYS 37 HG3 LYS 37 -27.429 1.656 1.689 193 HD2 LYS 37 HD2 LYS 37 -25.147 1.426 2.554 194 HD3 LYS 37 HD3 LYS 37 -24.801 3.102 2.115 195 HE2 LYS 37 HE2 LYS 37 -26.538 3.889 3.661 196 HE3 LYS 37 HE3 LYS 37 -26.974 2.228 4.050 197 HZ1 LYS 37 HZ1 LYS 37 -25.345 2.129 5.524 198 HZ2 LYS 37 HZ2 LYS 37 -25.047 3.781 5.279 199 HZ3 LYS 37 HZ3 LYS 37 -24.190 2.620 4.384 200 H ARG 38 H ARG 38 -27.865 -0.419 -0.833 201 HA ARG 38 HA ARG 38 -28.726 -1.444 1.707 202 HB2 ARG 38 HB2 ARG 38 -30.284 -0.798 -0.092 203 HB3 ARG 38 HB3 ARG 38 -29.661 -2.114 -1.087 204 HG2 ARG 38 HG2 ARG 38 -30.349 -3.744 0.629 205 HG3 ARG 38 HG3 ARG 38 -30.988 -2.436 1.623 206 HD2 ARG 38 HD2 ARG 38 -31.895 -3.077 -1.198 207 HD3 ARG 38 HD3 ARG 38 -32.749 -3.582 0.257 208 HE ARG 38 HE ARG 38 -32.651 -0.899 -0.864 209 HH11 ARG 38 HH11 ARG 38 -33.045 -2.668 2.095 210 HH12 ARG 38 HH12 ARG 38 -34.368 -1.693 2.642 211 HH21 ARG 38 HH21 ARG 38 -33.556 0.770 0.355 212 HH22 ARG 38 HH22 ARG 38 -34.508 0.384 1.745 213 H TYR 39 H TYR 39 -27.182 -2.963 -1.152 214 HA TYR 39 HA TYR 39 -27.419 -5.596 -0.144 215 HB2 TYR 39 HB2 TYR 39 -25.672 -4.415 -2.281 216 HB3 TYR 39 HB3 TYR 39 -25.647 -6.129 -1.871 217 HD1 TYR 39 HD1 TYR 39 -27.882 -7.382 -1.830 218 HD2 TYR 39 HD2 TYR 39 -27.299 -3.658 -3.869 219 HE1 TYR 39 HE1 TYR 39 -30.094 -7.613 -2.896 220 HE2 TYR 39 HE2 TYR 39 -29.371 -4.031 -5.133 221 HH TYR 39 HH TYR 39 -30.715 -6.567 -5.683 222 H VAL 40 H VAL 40 -24.629 -3.376 0.002 223 HA VAL 40 HA VAL 40 -22.883 -5.252 1.219 224 HB VAL 40 HB VAL 40 -22.864 -2.247 1.138 225 HG11 VAL 40 HG11 VAL 40 -20.459 -2.515 1.888 226 HG12 VAL 40 HG12 VAL 40 -20.815 -4.209 2.226 227 HG13 VAL 40 HG13 VAL 40 -21.629 -2.937 3.135 228 HG21 VAL 40 HG21 VAL 40 -21.807 -4.461 -0.526 229 HG22 VAL 40 HG22 VAL 40 -20.698 -3.120 -0.245 230 HG23 VAL 40 HG23 VAL 40 -22.264 -2.823 -0.994 231 H GLU 41 H GLU 41 -25.075 -2.825 2.574 232 HA GLU 41 HA GLU 41 -24.122 -3.086 5.248 233 HB2 GLU 41 HB2 GLU 41 -25.336 -1.106 4.432 234 HB3 GLU 41 HB3 GLU 41 -26.791 -2.079 4.226 235 HG2 GLU 41 HG2 GLU 41 -26.767 -2.580 6.666 236 HG3 GLU 41 HG3 GLU 41 -25.325 -1.589 6.838 237 H LEU 42 H LEU 42 -26.726 -4.578 3.384 238 HA LEU 42 HA LEU 42 -27.472 -6.590 5.185 239 HB2 LEU 42 HB2 LEU 42 -28.605 -6.231 3.084 240 HB3 LEU 42 HB3 LEU 42 -27.131 -6.536 2.185 241 HG LEU 42 HG LEU 42 -27.162 -8.896 2.947 242 HD11 LEU 42 HD11 LEU 42 -28.661 -8.266 5.022 243 HD12 LEU 42 HD12 LEU 42 -28.847 -9.832 4.235 244 HD13 LEU 42 HD13 LEU 42 -29.987 -8.533 3.891 245 HD21 LEU 42 HD21 LEU 42 -29.351 -9.458 1.669 246 HD22 LEU 42 HD22 LEU 42 -28.092 -8.564 0.818 247 HD23 LEU 42 HD23 LEU 42 -29.497 -7.714 1.457 248 H ALA 43 H ALA 43 -24.683 -6.501 2.912 249 HA ALA 43 HA ALA 43 -23.854 -9.126 3.412 250 HB1 ALA 43 HB1 ALA 43 -23.046 -7.543 1.578 251 HB2 ALA 43 HB2 ALA 43 -21.815 -8.559 2.334 252 HB3 ALA 43 HB3 ALA 43 -21.959 -6.859 2.785 253 H LEU 44 H LEU 44 -22.912 -6.117 5.103 254 HA LEU 44 HA LEU 44 -21.009 -7.313 6.792 255 HB2 LEU 44 HB2 LEU 44 -22.611 -4.792 6.918 256 HB3 LEU 44 HB3 LEU 44 -21.691 -5.292 8.330 257 HG LEU 44 HG LEU 44 -20.524 -3.700 6.721 258 HD11 LEU 44 HD11 LEU 44 -18.915 -6.211 6.934 259 HD12 LEU 44 HD12 LEU 44 -19.501 -5.455 8.416 260 HD13 LEU 44 HD13 LEU 44 -18.459 -4.552 7.319 261 HD21 LEU 44 HD21 LEU 44 -20.288 -6.203 5.031 262 HD22 LEU 44 HD22 LEU 44 -19.479 -4.667 4.731 263 HD23 LEU 44 HD23 LEU 44 -21.233 -4.770 4.615 264 H LEU 45 H LEU 45 -24.523 -6.841 7.326 265 HA LEU 45 HA LEU 45 -24.598 -8.048 9.883 266 HB2 LEU 45 HB2 LEU 45 -26.643 -7.666 7.723 267 HB3 LEU 45 HB3 LEU 45 -27.012 -8.686 9.109 268 HG LEU 45 HG LEU 45 -26.395 -6.762 10.604 269 HD11 LEU 45 HD11 LEU 45 -25.005 -5.560 8.866 270 HD12 LEU 45 HD12 LEU 45 -26.180 -4.542 9.692 271 HD13 LEU 45 HD13 LEU 45 -26.514 -5.124 8.063 272 HD21 LEU 45 HD21 LEU 45 -28.474 -5.439 10.067 273 HD22 LEU 45 HD22 LEU 45 -28.728 -7.178 10.177 274 HD23 LEU 45 HD23 LEU 45 -28.634 -6.399 8.597 275 H VAL 46 H VAL 46 -24.814 -9.416 6.621 276 HA VAL 46 HA VAL 46 -25.298 -12.091 7.415 277 HB VAL 46 HB VAL 46 -24.032 -10.903 4.943 278 HG11 VAL 46 HG11 VAL 46 -23.196 -13.045 4.736 279 HG12 VAL 46 HG12 VAL 46 -24.828 -13.343 4.136 280 HG13 VAL 46 HG13 VAL 46 -24.421 -13.736 5.804 281 HG21 VAL 46 HG21 VAL 46 -26.195 -11.319 3.956 282 HG22 VAL 46 HG22 VAL 46 -26.482 -10.486 5.481 283 HG23 VAL 46 HG23 VAL 46 -26.724 -12.228 5.373 284 H GLN 47 H GLN 47 -22.288 -10.266 6.870 285 HA GLN 47 HA GLN 47 -20.543 -12.480 6.928 286 HB2 GLN 47 HB2 GLN 47 -19.961 -10.250 6.042 287 HB3 GLN 47 HB3 GLN 47 -20.058 -9.586 7.670 288 HG2 GLN 47 HG2 GLN 47 -18.226 -11.078 8.390 289 HG3 GLN 47 HG3 GLN 47 -18.110 -11.725 6.755 290 HE21 GLN 47 HE21 GLN 47 -16.212 -10.829 5.909 291 HE22 GLN 47 HE22 GLN 47 -16.042 -9.161 5.670 292 H GLN 48 H GLN 48 -21.471 -10.200 9.550 293 HA GLN 48 HA GLN 48 -19.962 -11.495 11.551 294 HB2 GLN 48 HB2 GLN 48 -21.181 -10.183 13.152 295 HB3 GLN 48 HB3 GLN 48 -20.791 -9.187 11.754 296 HG2 GLN 48 HG2 GLN 48 -23.077 -9.510 10.885 297 HG3 GLN 48 HG3 GLN 48 -23.469 -10.511 12.280 298 HE21 GLN 48 HE21 GLN 48 -24.999 -8.205 11.899 299 HE22 GLN 48 HE22 GLN 48 -24.329 -6.804 12.583 300 H LYS 49 H LYS 49 -23.351 -11.946 10.575 301 HA LYS 49 HA LYS 49 -24.001 -13.872 12.560 302 HB2 LYS 49 HB2 LYS 49 -25.128 -13.410 9.792 303 HB3 LYS 49 HB3 LYS 49 -25.831 -14.505 10.976 304 HG2 LYS 49 HG2 LYS 49 -25.420 -11.531 11.416 305 HG3 LYS 49 HG3 LYS 49 -26.943 -12.275 10.935 306 HD2 LYS 49 HD2 LYS 49 -26.947 -13.598 13.024 307 HD3 LYS 49 HD3 LYS 49 -25.431 -12.840 13.507 308 HE2 LYS 49 HE2 LYS 49 -26.512 -10.626 13.483 309 HE3 LYS 49 HE3 LYS 49 -28.028 -11.372 12.977 310 HZ1 LYS 49 HZ1 LYS 49 -26.699 -11.449 15.579 311 HZ2 LYS 49 HZ2 LYS 49 -27.580 -12.819 15.099 312 HZ3 LYS 49 HZ3 LYS 49 -28.349 -11.310 15.202 313 H ALA 50 H ALA 50 -22.733 -14.191 9.259 314 HA ALA 50 HA ALA 50 -22.563 -17.039 9.352 315 HB1 ALA 50 HB1 ALA 50 -20.975 -15.155 7.604 316 HB2 ALA 50 HB2 ALA 50 -22.647 -15.604 7.279 317 HB3 ALA 50 HB3 ALA 50 -21.388 -16.839 7.272 318 H LYS 51 H LYS 51 -20.713 -14.564 10.793 319 HA LYS 51 HA LYS 51 -18.743 -14.550 11.945 320 HB2 LYS 51 HB2 LYS 51 -20.190 -16.663 12.834 321 HB3 LYS 51 HB3 LYS 51 -18.698 -17.477 12.368 322 HG2 LYS 51 HG2 LYS 51 -17.392 -15.949 13.751 323 HG3 LYS 51 HG3 LYS 51 -18.832 -15.000 14.118 324 HD2 LYS 51 HD2 LYS 51 -19.831 -16.945 15.258 325 HD3 LYS 51 HD3 LYS 51 -18.402 -17.907 14.880 326 HE2 LYS 51 HE2 LYS 51 -17.006 -16.343 16.186 327 HE3 LYS 51 HE3 LYS 51 -18.430 -15.370 16.552 328 HZ1 LYS 51 HZ1 LYS 51 -18.593 -18.210 17.174 329 HZ2 LYS 51 HZ2 LYS 51 -19.197 -16.870 18.024 330 HZ3 LYS 51 HZ3 LYS 51 -17.555 -17.281 18.144 331 H VAL 52 H VAL 52 -18.242 -14.418 9.351 332 HA VAL 52 HA VAL 52 -15.941 -16.231 8.926 333 HB VAL 52 HB VAL 52 -16.294 -15.825 6.472 334 HG11 VAL 52 HG11 VAL 52 -18.142 -17.438 6.283 335 HG12 VAL 52 HG12 VAL 52 -18.589 -17.134 7.960 336 HG13 VAL 52 HG13 VAL 52 -17.046 -17.900 7.585 337 HG21 VAL 52 HG21 VAL 52 -17.629 -13.872 6.368 338 HG22 VAL 52 HG22 VAL 52 -18.780 -14.489 7.552 339 HG23 VAL 52 HG23 VAL 52 -18.734 -15.172 5.929 340 H LYS 53 H LYS 53 -14.020 -15.282 8.685 341 HA LYS 53 HA LYS 53 -13.953 -12.332 8.554 342 HB2 LYS 53 HB2 LYS 53 -11.901 -14.316 9.551 343 HB3 LYS 53 HB3 LYS 53 -11.609 -12.584 9.389 344 HG2 LYS 53 HG2 LYS 53 -13.455 -12.112 10.935 345 HG3 LYS 53 HG3 LYS 53 -13.804 -13.833 11.072 346 HD2 LYS 53 HD2 LYS 53 -11.510 -14.195 11.975 347 HD3 LYS 53 HD3 LYS 53 -11.225 -12.457 11.898 348 HE2 LYS 53 HE2 LYS 53 -13.474 -13.735 13.483 349 HE3 LYS 53 HE3 LYS 53 -11.921 -13.265 14.175 350 HZ1 LYS 53 HZ1 LYS 53 -12.316 -11.004 13.543 351 HZ2 LYS 53 HZ2 LYS 53 -13.652 -11.558 14.435 352 HZ3 LYS 53 HZ3 LYS 53 -13.756 -11.421 12.745 353 H ILE 54 H ILE 54 -12.757 -11.289 7.098 354 HA ILE 54 HA ILE 54 -11.168 -12.747 5.119 355 HB ILE 54 HB ILE 54 -12.519 -10.901 3.550 356 HG12 ILE 54 HG12 ILE 54 -14.508 -12.327 5.347 357 HG13 ILE 54 HG13 ILE 54 -14.207 -10.590 5.329 358 HG21 ILE 54 HG21 ILE 54 -13.557 -12.958 2.573 359 HG22 ILE 54 HG22 ILE 54 -12.980 -13.869 3.964 360 HG23 ILE 54 HG23 ILE 54 -11.826 -13.125 2.859 361 HD11 ILE 54 HD11 ILE 54 -14.875 -10.566 2.908 362 HD12 ILE 54 HD12 ILE 54 -16.177 -11.050 3.993 363 HD13 ILE 54 HD13 ILE 54 -15.309 -12.270 3.062 364 HA PRO 55 HA PRO 55 -8.824 -9.289 6.728 365 HB2 PRO 55 HB2 PRO 55 -6.891 -10.177 4.611 366 HB3 PRO 55 HB3 PRO 55 -6.593 -9.825 6.324 367 HG2 PRO 55 HG2 PRO 55 -6.733 -12.323 5.400 368 HG3 PRO 55 HG3 PRO 55 -7.359 -11.896 6.998 369 HD2 PRO 55 HD2 PRO 55 -8.843 -12.525 4.485 370 HD3 PRO 55 HD3 PRO 55 -9.330 -12.771 6.174 371 H ARG 56 H ARG 56 -9.112 -9.826 3.242 372 HA ARG 56 HA ARG 56 -8.943 -6.916 2.836 373 HB2 ARG 56 HB2 ARG 56 -7.880 -9.159 1.141 374 HB3 ARG 56 HB3 ARG 56 -8.021 -7.497 0.562 375 HG2 ARG 56 HG2 ARG 56 -6.647 -6.715 2.459 376 HG3 ARG 56 HG3 ARG 56 -6.527 -8.363 3.061 377 HD2 ARG 56 HD2 ARG 56 -5.344 -9.040 1.031 378 HD3 ARG 56 HD3 ARG 56 -5.454 -7.402 0.392 379 HE ARG 56 HE ARG 56 -3.741 -8.343 2.582 380 HH11 ARG 56 HH11 ARG 56 -4.995 -5.603 0.836 381 HH12 ARG 56 HH12 ARG 56 -3.594 -4.637 1.138 382 HH21 ARG 56 HH21 ARG 56 -2.057 -6.954 3.160 383 HH22 ARG 56 HH22 ARG 56 -2.094 -5.300 2.660 384 H LYS 57 H LYS 57 -10.891 -9.772 2.005 385 HA LYS 57 HA LYS 57 -11.823 -8.738 -0.443 386 HB2 LYS 57 HB2 LYS 57 -13.104 -10.783 1.358 387 HB3 LYS 57 HB3 LYS 57 -13.742 -10.345 -0.218 388 HG2 LYS 57 HG2 LYS 57 -11.656 -11.108 -1.284 389 HG3 LYS 57 HG3 LYS 57 -11.009 -11.558 0.297 390 HD2 LYS 57 HD2 LYS 57 -12.914 -13.118 0.615 391 HD3 LYS 57 HD3 LYS 57 -13.547 -12.656 -0.961 392 HE2 LYS 57 HE2 LYS 57 -11.525 -13.533 -2.051 393 HE3 LYS 57 HE3 LYS 57 -10.861 -13.981 -0.480 394 HZ1 LYS 57 HZ1 LYS 57 -11.873 -15.890 -1.440 395 HZ2 LYS 57 HZ2 LYS 57 -13.314 -15.054 -1.761 396 HZ3 LYS 57 HZ3 LYS 57 -12.863 -15.382 -0.158 397 H TRP 58 H TRP 58 -13.330 -8.445 2.795 398 HA TRP 58 HA TRP 58 -15.200 -6.541 1.529 399 HB2 TRP 58 HB2 TRP 58 -15.705 -8.598 3.569 400 HB3 TRP 58 HB3 TRP 58 -16.342 -7.014 3.978 401 HD1 TRP 58 HD1 TRP 58 -17.392 -10.011 2.275 402 HE1 TRP 58 HE1 TRP 58 -19.088 -9.616 0.383 403 HE3 TRP 58 HE3 TRP 58 -16.730 -5.012 1.568 404 HZ2 TRP 58 HZ2 TRP 58 -20.354 -7.347 -0.868 405 HZ3 TRP 58 HZ3 TRP 58 -17.890 -3.891 -0.303 406 HH2 TRP 58 HH2 TRP 58 -19.736 -5.032 -1.495 407 H LYS 59 H LYS 59 -12.943 -7.168 4.119 408 HA LYS 59 HA LYS 59 -13.633 -5.009 5.773 409 HB2 LYS 59 HB2 LYS 59 -12.304 -6.983 6.461 410 HB3 LYS 59 HB3 LYS 59 -10.952 -6.376 5.512 411 HG2 LYS 59 HG2 LYS 59 -10.854 -4.353 6.892 412 HG3 LYS 59 HG3 LYS 59 -12.270 -4.880 7.803 413 HD2 LYS 59 HD2 LYS 59 -11.018 -6.877 8.564 414 HD3 LYS 59 HD3 LYS 59 -9.605 -6.336 7.664 415 HE2 LYS 59 HE2 LYS 59 -9.492 -4.301 9.046 416 HE3 LYS 59 HE3 LYS 59 -10.933 -4.807 9.929 417 HZ1 LYS 59 HZ1 LYS 59 -8.329 -6.234 9.830 418 HZ2 LYS 59 HZ2 LYS 59 -9.725 -6.818 10.599 419 HZ3 LYS 59 HZ3 LYS 59 -8.978 -5.402 11.162 420 H ARG 60 H ARG 60 -11.384 -5.311 3.128 421 HA ARG 60 HA ARG 60 -10.484 -2.533 3.360 422 HB2 ARG 60 HB2 ARG 60 -9.531 -4.851 1.664 423 HB3 ARG 60 HB3 ARG 60 -8.845 -3.234 1.599 424 HG2 ARG 60 HG2 ARG 60 -8.975 -4.895 4.141 425 HG3 ARG 60 HG3 ARG 60 -7.573 -4.816 3.077 426 HD2 ARG 60 HD2 ARG 60 -7.473 -2.389 3.346 427 HD3 ARG 60 HD3 ARG 60 -8.871 -2.416 4.407 428 HE ARG 60 HE ARG 60 -6.193 -3.489 5.061 429 HH11 ARG 60 HH11 ARG 60 -9.508 -2.822 6.264 430 HH12 ARG 60 HH12 ARG 60 -8.720 -1.894 7.499 431 HH21 ARG 60 HH21 ARG 60 -5.722 -3.327 7.326 432 HH22 ARG 60 HH22 ARG 60 -7.051 -3.250 8.433 433 H ARG 61 H ARG 61 -13.077 -3.959 1.937 434 HA ARG 61 HA ARG 61 -12.850 -2.355 -0.525 435 HB2 ARG 61 HB2 ARG 61 -14.016 -5.106 -0.222 436 HB3 ARG 61 HB3 ARG 61 -14.345 -4.075 -1.617 437 HG2 ARG 61 HG2 ARG 61 -11.916 -3.879 -2.037 438 HG3 ARG 61 HG3 ARG 61 -11.594 -4.906 -0.642 439 HD2 ARG 61 HD2 ARG 61 -12.813 -6.753 -1.704 440 HD3 ARG 61 HD3 ARG 61 -13.161 -5.740 -3.100 441 HE ARG 61 HE ARG 61 -10.571 -6.908 -2.378 442 HH11 ARG 61 HH11 ARG 61 -12.179 -4.452 -4.228 443 HH12 ARG 61 HH12 ARG 61 -11.189 -4.683 -5.632 444 HH21 ARG 61 HH21 ARG 61 -9.047 -6.895 -4.085 445 HH22 ARG 61 HH22 ARG 61 -9.305 -5.856 -5.443 446 H TYR 62 H TYR 62 -14.184 -1.758 2.164 447 HA TYR 62 HA TYR 62 -16.550 -0.640 0.833 448 HB2 TYR 62 HB2 TYR 62 -17.988 -1.087 2.777 449 HB3 TYR 62 HB3 TYR 62 -17.446 -2.572 2.008 450 HD1 TYR 62 HD1 TYR 62 -17.107 -0.361 4.906 451 HD2 TYR 62 HD2 TYR 62 -17.107 -4.228 3.553 452 HE1 TYR 62 HE1 TYR 62 -15.597 -0.953 6.878 453 HE2 TYR 62 HE2 TYR 62 -16.145 -5.038 5.698 454 HH TYR 62 HH TYR 62 -16.263 -4.008 8.076 455 H CYS 63 H CYS 63 -17.481 1.171 1.918 456 HA CYS 63 HA CYS 63 -15.528 2.848 3.252 457 HB2 CYS 63 HB2 CYS 63 -17.022 3.953 1.720 458 HB3 CYS 63 HB3 CYS 63 -18.428 3.267 2.526 459 H LYS 64 H LYS 64 -15.673 3.611 5.379 460 HA LYS 64 HA LYS 64 -16.725 1.896 7.387 461 HB2 LYS 64 HB2 LYS 64 -14.801 3.472 7.623 462 HB3 LYS 64 HB3 LYS 64 -15.930 4.819 7.513 463 HG2 LYS 64 HG2 LYS 64 -17.077 4.032 9.557 464 HG3 LYS 64 HG3 LYS 64 -15.960 2.670 9.648 465 HD2 LYS 64 HD2 LYS 64 -14.060 4.231 9.874 466 HD3 LYS 64 HD3 LYS 64 -15.172 5.596 9.793 467 HE2 LYS 64 HE2 LYS 64 -16.305 4.804 11.834 468 HE3 LYS 64 HE3 LYS 64 -15.215 3.422 11.911 469 HZ1 LYS 64 HZ1 LYS 64 -13.358 5.076 11.983 470 HZ2 LYS 64 HZ2 LYS 64 -14.355 5.052 13.354 471 HZ3 LYS 64 HZ3 LYS 64 -14.525 6.288 12.202 472 H LYS 65 H LYS 65 -17.858 5.043 6.076 473 HA LYS 65 HA LYS 65 -20.341 4.746 7.539 474 HB2 LYS 65 HB2 LYS 65 -19.465 6.953 7.545 475 HB3 LYS 65 HB3 LYS 65 -19.553 7.053 5.787 476 HG2 LYS 65 HG2 LYS 65 -21.999 6.634 5.912 477 HG3 LYS 65 HG3 LYS 65 -21.879 6.462 7.658 478 HD2 LYS 65 HD2 LYS 65 -21.147 8.798 7.848 479 HD3 LYS 65 HD3 LYS 65 -21.257 8.992 6.101 480 HE2 LYS 65 HE2 LYS 65 -23.693 8.444 6.223 481 HE3 LYS 65 HE3 LYS 65 -23.538 8.268 7.970 482 HZ1 LYS 65 HZ1 LYS 65 -24.399 10.453 7.177 483 HZ2 LYS 65 HZ2 LYS 65 -22.845 10.783 6.576 484 HZ3 LYS 65 HZ3 LYS 65 -23.078 10.525 8.239 485 H CYS 66 H CYS 66 -19.392 4.075 4.153 486 HA CYS 66 HA CYS 66 -22.125 4.622 3.269 487 HB2 CYS 66 HB2 CYS 66 -20.234 2.760 1.838 488 HB3 CYS 66 HB3 CYS 66 -21.714 3.460 1.235 489 H HIS 67 H HIS 67 -20.193 1.948 4.441 490 HA HIS 67 HA HIS 67 -20.641 -0.287 4.727 491 HB2 HIS 67 HB2 HIS 67 -23.462 0.800 4.892 492 HB3 HIS 67 HB3 HIS 67 -23.029 -0.871 5.244 493 HD1 HIS 67 HD1 HIS 67 -24.144 0.385 7.661 494 HD2 HIS 67 HD2 HIS 67 -20.144 1.049 6.600 495 HE1 HIS 67 HE1 HIS 67 -23.047 1.618 9.600 496 HE2 HIS 67 HE2 HIS 67 -20.641 2.081 8.937 497 H ALA 68 H ALA 68 -20.350 0.954 2.253 498 HA ALA 68 HA ALA 68 -21.810 -0.781 0.369 499 HB1 ALA 68 HB1 ALA 68 -21.039 2.021 -0.392 500 HB2 ALA 68 HB2 ALA 68 -22.571 1.721 0.430 501 HB3 ALA 68 HB3 ALA 68 -22.235 0.954 -1.120 502 H PHE 69 H PHE 69 -20.584 -1.033 -1.716 503 HA PHE 69 HA PHE 69 -17.984 -1.970 -0.889 504 HB2 PHE 69 HB2 PHE 69 -19.572 -2.971 -2.681 505 HB3 PHE 69 HB3 PHE 69 -19.004 -1.683 -3.727 506 HD1 PHE 69 HD1 PHE 69 -16.270 -1.430 -3.671 507 HD2 PHE 69 HD2 PHE 69 -18.726 -4.905 -3.545 508 HE1 PHE 69 HE1 PHE 69 -14.288 -2.925 -4.089 509 HE2 PHE 69 HE2 PHE 69 -16.990 -6.151 -4.778 510 HZ PHE 69 HZ PHE 69 -14.814 -5.082 -5.273 511 H LEU 70 H LEU 70 -16.019 -0.813 -1.154 512 HA LEU 70 HA LEU 70 -16.351 1.862 -2.380 513 HB2 LEU 70 HB2 LEU 70 -16.160 2.013 0.015 514 HB3 LEU 70 HB3 LEU 70 -14.695 1.039 0.005 515 HG LEU 70 HG LEU 70 -13.521 2.792 -1.255 516 HD11 LEU 70 HD11 LEU 70 -14.797 5.057 -1.366 517 HD12 LEU 70 HD12 LEU 70 -16.254 4.070 -1.285 518 HD13 LEU 70 HD13 LEU 70 -15.117 3.861 -2.619 519 HD21 LEU 70 HD21 LEU 70 -13.964 2.831 1.334 520 HD22 LEU 70 HD22 LEU 70 -14.966 4.230 0.953 521 HD23 LEU 70 HD23 LEU 70 -13.245 4.244 0.559 522 H VAL 71 H VAL 71 -15.483 1.916 -4.183 523 HA VAL 71 HA VAL 71 -12.580 1.557 -4.428 524 HB VAL 71 HB VAL 71 -14.658 0.809 -6.511 525 HG11 VAL 71 HG11 VAL 71 -12.808 0.359 -8.020 526 HG12 VAL 71 HG12 VAL 71 -11.643 0.850 -6.792 527 HG13 VAL 71 HG13 VAL 71 -12.735 2.039 -7.501 528 HG21 VAL 71 HG21 VAL 71 -13.728 -1.413 -6.357 529 HG22 VAL 71 HG22 VAL 71 -14.127 -0.881 -4.727 530 HG23 VAL 71 HG23 VAL 71 -12.452 -0.859 -5.273 531 HA PRO 72 HA PRO 72 -13.177 5.834 -5.640 532 HB2 PRO 72 HB2 PRO 72 -10.740 5.594 -7.316 533 HB3 PRO 72 HB3 PRO 72 -11.108 6.721 -5.999 534 HG2 PRO 72 HG2 PRO 72 -9.382 4.666 -5.743 535 HG3 PRO 72 HG3 PRO 72 -10.341 5.290 -4.398 536 HD2 PRO 72 HD2 PRO 72 -10.706 2.782 -5.983 537 HD3 PRO 72 HD3 PRO 72 -11.093 3.100 -4.280 538 H GLY 73 H GLY 73 -14.069 6.910 -7.262 539 HA2 GLY 73 HA2 GLY 73 -14.506 7.492 -9.496 540 HA3 GLY 73 HA3 GLY 73 -14.035 5.876 -9.999 541 H ILE 74 H ILE 74 -15.903 5.005 -7.550 542 HA ILE 74 HA ILE 74 -18.137 4.646 -9.457 543 HB ILE 74 HB ILE 74 -17.123 2.758 -7.324 544 HG12 ILE 74 HG12 ILE 74 -17.276 2.422 -10.339 545 HG13 ILE 74 HG13 ILE 74 -15.828 3.011 -9.523 546 HG21 ILE 74 HG21 ILE 74 -18.895 1.288 -8.603 547 HG22 ILE 74 HG22 ILE 74 -19.565 2.847 -9.085 548 HG23 ILE 74 HG23 ILE 74 -19.466 2.429 -7.384 549 HD11 ILE 74 HD11 ILE 74 -16.923 0.555 -8.334 550 HD12 ILE 74 HD12 ILE 74 -15.267 0.953 -8.783 551 HD13 ILE 74 HD13 ILE 74 -16.395 0.360 -10.003 552 H ASN 75 H ASN 75 -17.991 4.031 -5.905 553 HA ASN 75 HA ASN 75 -20.461 5.641 -5.647 554 HB2 ASN 75 HB2 ASN 75 -20.808 4.489 -3.564 555 HB3 ASN 75 HB3 ASN 75 -20.408 3.277 -4.773 556 HD21 ASN 75 HD21 ASN 75 -17.413 4.255 -4.518 557 HD22 ASN 75 HD22 ASN 75 -16.949 3.143 -3.328 558 H ALA 76 H ALA 76 -17.364 6.069 -5.636 559 HA ALA 76 HA ALA 76 -17.246 8.282 -3.782 560 HB1 ALA 76 HB1 ALA 76 -15.553 7.411 -2.356 561 HB2 ALA 76 HB2 ALA 76 -15.314 5.987 -3.365 562 HB3 ALA 76 HB3 ALA 76 -16.790 6.158 -2.417 563 H ARG 77 H ARG 77 -15.391 9.591 -4.244 564 HA ARG 77 HA ARG 77 -13.914 8.769 -6.668 565 HB2 ARG 77 HB2 ARG 77 -15.910 10.236 -7.150 566 HB3 ARG 77 HB3 ARG 77 -15.095 11.520 -6.260 567 HG2 ARG 77 HG2 ARG 77 -13.168 11.358 -7.793 568 HG3 ARG 77 HG3 ARG 77 -13.975 10.056 -8.670 569 HD2 ARG 77 HD2 ARG 77 -15.870 11.635 -9.135 570 HD3 ARG 77 HD3 ARG 77 -14.923 12.925 -8.396 571 HE ARG 77 HE ARG 77 -13.553 11.485 -10.504 572 HH11 ARG 77 HH11 ARG 77 -15.160 14.435 -9.570 573 HH12 ARG 77 HH12 ARG 77 -15.563 14.842 -11.205 574 HH21 ARG 77 HH21 ARG 77 -13.636 12.357 -12.606 575 HH22 ARG 77 HH22 ARG 77 -14.362 13.910 -12.857 576 H VAL 78 H VAL 78 -11.754 9.549 -6.811 577 HA VAL 78 HA VAL 78 -10.826 10.905 -4.359 578 HB VAL 78 HB VAL 78 -10.485 8.391 -4.356 579 HG11 VAL 78 HG11 VAL 78 -9.699 8.575 -6.885 580 HG12 VAL 78 HG12 VAL 78 -9.018 7.357 -5.808 581 HG13 VAL 78 HG13 VAL 78 -8.127 8.842 -6.129 582 HG21 VAL 78 HG21 VAL 78 -7.935 10.003 -4.235 583 HG22 VAL 78 HG22 VAL 78 -8.339 8.562 -3.307 584 HG23 VAL 78 HG23 VAL 78 -9.180 10.077 -2.989 585 H ARG 79 H ARG 79 -9.639 12.595 -4.694 586 HA ARG 79 HA ARG 79 -8.129 12.981 -7.182 587 HB2 ARG 79 HB2 ARG 79 -8.615 14.757 -4.786 588 HB3 ARG 79 HB3 ARG 79 -7.558 15.198 -6.119 589 HG2 ARG 79 HG2 ARG 79 -10.476 14.423 -6.481 590 HG3 ARG 79 HG3 ARG 79 -9.924 16.090 -6.311 591 HD2 ARG 79 HD2 ARG 79 -8.431 15.790 -8.255 592 HD3 ARG 79 HD3 ARG 79 -8.987 14.137 -8.443 593 HE ARG 79 HE ARG 79 -10.559 16.566 -8.996 594 HH11 ARG 79 HH11 ARG 79 -10.546 13.030 -9.035 595 HH12 ARG 79 HH12 ARG 79 -10.394 13.166 -10.749 596 HH21 ARG 79 HH21 ARG 79 -11.723 16.322 -10.918 597 HH22 ARG 79 HH22 ARG 79 -12.213 14.740 -11.427 598 H LEU 80 H LEU 80 -6.086 12.584 -7.371 599 HA LEU 80 HA LEU 80 -4.395 12.191 -4.971 600 HB2 LEU 80 HB2 LEU 80 -3.938 11.267 -7.827 601 HB3 LEU 80 HB3 LEU 80 -2.944 10.865 -6.431 602 HG LEU 80 HG LEU 80 -5.287 9.993 -5.477 603 HD11 LEU 80 HD11 LEU 80 -6.821 10.434 -7.152 604 HD12 LEU 80 HD12 LEU 80 -6.327 8.808 -7.613 605 HD13 LEU 80 HD13 LEU 80 -5.641 10.203 -8.442 606 HD21 LEU 80 HD21 LEU 80 -3.256 8.664 -7.229 607 HD22 LEU 80 HD22 LEU 80 -4.721 7.769 -6.835 608 HD23 LEU 80 HD23 LEU 80 -3.670 8.343 -5.545 609 H ARG 81 H ARG 81 -2.924 13.718 -4.581 610 HA ARG 81 HA ARG 81 -2.459 15.749 -6.660 611 HB2 ARG 81 HB2 ARG 81 -2.467 15.920 -3.650 612 HB3 ARG 81 HB3 ARG 81 -1.909 17.232 -4.690 613 HG2 ARG 81 HG2 ARG 81 -4.107 17.276 -5.812 614 HG3 ARG 81 HG3 ARG 81 -4.656 15.945 -4.798 615 HD2 ARG 81 HD2 ARG 81 -4.347 17.322 -2.797 616 HD3 ARG 81 HD3 ARG 81 -3.782 18.667 -3.782 617 HE ARG 81 HE ARG 81 -6.533 17.640 -3.626 618 HH11 ARG 81 HH11 ARG 81 -4.275 19.694 -5.296 619 HH12 ARG 81 HH12 ARG 81 -5.525 20.549 -6.125 620 HH21 ARG 81 HH21 ARG 81 -8.117 18.990 -4.567 621 HH22 ARG 81 HH22 ARG 81 -7.616 20.464 -5.326 622 H GLN 82 H GLN 82 -0.469 16.441 -7.212 623 HA GLN 82 HA GLN 82 1.590 14.481 -6.773 624 HB2 GLN 82 HB2 GLN 82 1.496 16.928 -8.539 625 HB3 GLN 82 HB3 GLN 82 2.870 15.826 -8.450 626 HG2 GLN 82 HG2 GLN 82 1.481 13.953 -9.134 627 HG3 GLN 82 HG3 GLN 82 0.040 14.965 -9.136 628 HE21 GLN 82 HE21 GLN 82 0.566 13.728 -11.506 629 HE22 GLN 82 HE22 GLN 82 1.269 14.782 -12.636 630 H LYS 83 H LYS 83 2.602 14.509 -5.062 631 HA LYS 83 HA LYS 83 3.587 16.912 -3.794 632 HB2 LYS 83 HB2 LYS 83 1.542 15.176 -2.484 633 HB3 LYS 83 HB3 LYS 83 2.637 16.211 -1.568 634 HG2 LYS 83 HG2 LYS 83 1.883 18.157 -2.908 635 HG3 LYS 83 HG3 LYS 83 0.761 17.112 -3.776 636 HD2 LYS 83 HD2 LYS 83 -0.405 16.596 -1.674 637 HD3 LYS 83 HD3 LYS 83 0.723 17.617 -0.784 638 HE2 LYS 83 HE2 LYS 83 -0.008 19.570 -2.147 639 HE3 LYS 83 HE3 LYS 83 -1.153 18.528 -2.989 640 HZ1 LYS 83 HZ1 LYS 83 -2.370 18.171 -1.026 641 HZ2 LYS 83 HZ2 LYS 83 -2.089 19.844 -1.108 642 HZ3 LYS 83 HZ3 LYS 83 -1.173 18.881 -0.051 643 H ARG 84 H ARG 84 4.667 16.458 -1.710 644 HA ARG 84 HA ARG 84 6.295 14.003 -1.610 645 HB2 ARG 84 HB2 ARG 84 5.415 15.928 0.602 646 HB3 ARG 84 HB3 ARG 84 6.735 14.767 0.686 647 HG2 ARG 84 HG2 ARG 84 8.009 16.023 -0.986 648 HG3 ARG 84 HG3 ARG 84 6.665 17.151 -1.181 649 HD2 ARG 84 HD2 ARG 84 8.240 18.188 0.325 650 HD3 ARG 84 HD3 ARG 84 6.842 17.689 1.258 651 HE ARG 84 HE ARG 84 8.123 15.976 2.262 652 HH11 ARG 84 HH11 ARG 84 9.946 17.453 -0.354 653 HH12 ARG 84 HH12 ARG 84 11.408 17.408 0.575 654 HH21 ARG 84 HH21 ARG 84 10.160 15.055 2.778 655 HH22 ARG 84 HH22 ARG 84 11.536 15.463 1.820 656 H MET 85 H MET 85 5.062 13.402 1.298 657 HA MET 85 HA MET 85 4.733 11.311 -0.504 658 HB2 MET 85 HB2 MET 85 3.892 10.326 2.034 659 HB3 MET 85 HB3 MET 85 5.434 10.088 1.235 660 HG2 MET 85 HG2 MET 85 4.960 12.646 2.747 661 HG3 MET 85 HG3 MET 85 5.313 11.168 3.627 662 HE1 MET 85 HE1 MET 85 7.859 10.531 4.175 663 HE2 MET 85 HE2 MET 85 8.680 10.012 2.703 664 HE3 MET 85 HE3 MET 85 7.001 9.548 2.990 665 HA PRO 86 HA PRO 86 1.450 12.785 -1.793 666 HB2 PRO 86 HB2 PRO 86 0.090 10.383 -2.873 667 HB3 PRO 86 HB3 PRO 86 0.822 11.748 -3.726 668 HG2 PRO 86 HG2 PRO 86 1.902 9.215 -3.440 669 HG3 PRO 86 HG3 PRO 86 2.769 10.666 -3.948 670 HD2 PRO 86 HD2 PRO 86 3.055 9.176 -1.494 671 HD3 PRO 86 HD3 PRO 86 3.971 10.589 -2.045 672 H HIS 87 H HIS 87 -0.522 13.613 -1.577 673 HA HIS 87 HA HIS 87 -2.292 12.544 0.509 674 HB2 HIS 87 HB2 HIS 87 -1.714 14.799 0.883 675 HB3 HIS 87 HB3 HIS 87 -1.918 15.223 -0.814 676 HD1 HIS 87 HD1 HIS 87 -4.388 15.363 -1.737 677 HD2 HIS 87 HD2 HIS 87 -4.354 14.134 2.162 678 HE1 HIS 87 HE1 HIS 87 -6.515 16.300 -0.723 679 HE2 HIS 87 HE2 HIS 87 -6.595 15.369 1.629 680 H ILE 88 H ILE 88 -4.122 11.518 -0.013 681 HA ILE 88 HA ILE 88 -5.469 12.344 -2.499 682 HB ILE 88 HB ILE 88 -6.348 10.107 -2.854 683 HG12 ILE 88 HG12 ILE 88 -4.542 9.171 -0.606 684 HG13 ILE 88 HG13 ILE 88 -6.273 9.420 -0.397 685 HG21 ILE 88 HG21 ILE 88 -3.388 9.757 -2.396 686 HG22 ILE 88 HG22 ILE 88 -3.967 10.895 -3.606 687 HG23 ILE 88 HG23 ILE 88 -4.369 9.183 -3.743 688 HD11 ILE 88 HD11 ILE 88 -5.819 7.840 -2.769 689 HD12 ILE 88 HD12 ILE 88 -6.705 7.416 -1.308 690 HD13 ILE 88 HD13 ILE 88 -4.973 7.114 -1.404 691 H VAL 89 H VAL 89 -7.709 12.599 -2.391 692 HA VAL 89 HA VAL 89 -8.914 12.288 0.287 693 HB VAL 89 HB VAL 89 -10.509 14.160 -0.500 694 HG11 VAL 89 HG11 VAL 89 -8.485 15.844 0.061 695 HG12 VAL 89 HG12 VAL 89 -7.724 14.321 0.527 696 HG13 VAL 89 HG13 VAL 89 -9.230 14.821 1.291 697 HG21 VAL 89 HG21 VAL 89 -9.533 15.749 -2.076 698 HG22 VAL 89 HG22 VAL 89 -9.661 14.174 -2.855 699 HG23 VAL 89 HG23 VAL 89 -8.102 14.735 -2.256 700 H VAL 90 H VAL 90 -10.775 11.306 0.488 701 HA VAL 90 HA VAL 90 -12.010 10.138 -1.947 702 HB VAL 90 HB VAL 90 -11.449 8.940 0.781 703 HG11 VAL 90 HG11 VAL 90 -12.510 6.857 -0.420 704 HG12 VAL 90 HG12 VAL 90 -13.352 8.077 -1.371 705 HG13 VAL 90 HG13 VAL 90 -13.546 8.033 0.384 706 HG21 VAL 90 HG21 VAL 90 -10.269 7.214 -0.581 707 HG22 VAL 90 HG22 VAL 90 -9.556 8.817 -0.720 708 HG23 VAL 90 HG23 VAL 90 -10.571 8.191 -2.018 709 H LYS 91 H LYS 91 -14.137 10.430 -2.107 710 HA LYS 91 HA LYS 91 -15.690 11.056 0.285 711 HB2 LYS 91 HB2 LYS 91 -17.050 12.718 -1.134 712 HB3 LYS 91 HB3 LYS 91 -15.541 13.258 -0.428 713 HG2 LYS 91 HG2 LYS 91 -15.798 12.306 -3.283 714 HG3 LYS 91 HG3 LYS 91 -15.911 13.991 -2.802 715 HD2 LYS 91 HD2 LYS 91 -13.600 13.859 -1.882 716 HD3 LYS 91 HD3 LYS 91 -13.485 12.197 -2.448 717 HE2 LYS 91 HE2 LYS 91 -13.832 12.890 -4.748 718 HE3 LYS 91 HE3 LYS 91 -14.000 14.571 -4.241 719 HZ1 LYS 91 HZ1 LYS 91 -11.597 13.051 -3.485 720 HZ2 LYS 91 HZ2 LYS 91 -11.785 14.723 -3.711 721 HZ3 LYS 91 HZ3 LYS 91 -11.721 13.688 -5.055 722 H CYS 92 H CYS 92 -17.734 10.263 0.266 723 HA CYS 92 HA CYS 92 -18.206 8.284 -1.884 724 HB2 CYS 92 HB2 CYS 92 -20.047 8.158 0.381 725 HB3 CYS 92 HB3 CYS 92 -19.062 6.907 -0.357 726 H LEU 93 H LEU 93 -20.067 8.456 -3.149 727 HA LEU 93 HA LEU 93 -21.912 10.584 -2.933 728 HB2 LEU 93 HB2 LEU 93 -22.031 7.892 -4.297 729 HB3 LEU 93 HB3 LEU 93 -23.295 9.117 -4.457 730 HG LEU 93 HG LEU 93 -20.364 9.665 -4.989 731 HD11 LEU 93 HD11 LEU 93 -20.814 8.238 -6.748 732 HD12 LEU 93 HD12 LEU 93 -21.353 9.767 -7.435 733 HD13 LEU 93 HD13 LEU 93 -22.533 8.635 -6.772 734 HD21 LEU 93 HD21 LEU 93 -21.734 11.518 -6.390 735 HD22 LEU 93 HD22 LEU 93 -21.220 11.766 -4.723 736 HD23 LEU 93 HD23 LEU 93 -22.871 11.251 -5.071 737 H GLU 94 H GLU 94 -22.091 7.250 -1.635 738 HA GLU 94 HA GLU 94 -24.694 7.497 -0.648 739 HB2 GLU 94 HB2 GLU 94 -22.448 5.662 0.193 740 HB3 GLU 94 HB3 GLU 94 -24.097 5.516 0.796 741 HG2 GLU 94 HG2 GLU 94 -23.308 5.455 -2.135 742 HG3 GLU 94 HG3 GLU 94 -23.683 4.036 -1.155 743 H CYS 95 H CYS 95 -21.649 8.059 1.022 744 HA CYS 95 HA CYS 95 -22.969 8.902 3.458 745 HB2 CYS 95 HB2 CYS 95 -20.073 9.139 2.664 746 HB3 CYS 95 HB3 CYS 95 -20.742 9.520 4.247 747 H GLY 96 H GLY 96 -21.734 10.402 0.544 748 HA2 GLY 96 HA2 GLY 96 -22.102 12.540 -0.275 749 HA3 GLY 96 HA3 GLY 96 -23.010 12.921 1.184 750 H HIS 97 H HIS 97 -19.963 11.499 1.712 751 HA HIS 97 HA HIS 97 -19.109 14.038 2.964 752 HB2 HIS 97 HB2 HIS 97 -19.250 11.271 4.175 753 HB3 HIS 97 HB3 HIS 97 -18.405 12.622 4.920 754 HD1 HIS 97 HD1 HIS 97 -20.547 11.597 6.637 755 HD2 HIS 97 HD2 HIS 97 -21.061 14.734 3.979 756 HE1 HIS 97 HE1 HIS 97 -22.632 12.883 7.330 757 HE2 HIS 97 HE2 HIS 97 -23.226 14.441 5.417 758 H ILE 98 H ILE 98 -16.896 14.270 3.370 759 HA ILE 98 HA ILE 98 -15.200 12.650 1.576 760 HB ILE 98 HB ILE 98 -15.425 15.003 0.876 761 HG12 ILE 98 HG12 ILE 98 -12.658 14.447 1.979 762 HG13 ILE 98 HG13 ILE 98 -13.306 13.648 0.551 763 HG21 ILE 98 HG21 ILE 98 -13.797 15.961 3.171 764 HG22 ILE 98 HG22 ILE 98 -15.500 15.651 3.502 765 HG23 ILE 98 HG23 ILE 98 -15.040 16.796 2.243 766 HD11 ILE 98 HD11 ILE 98 -13.333 15.639 -0.702 767 HD12 ILE 98 HD12 ILE 98 -11.850 15.787 0.238 768 HD13 ILE 98 HD13 ILE 98 -13.297 16.656 0.738 769 H MET 99 H MET 99 -13.575 11.620 2.321 770 HA MET 99 HA MET 99 -12.524 12.176 5.034 771 HB2 MET 99 HB2 MET 99 -12.701 9.563 3.500 772 HB3 MET 99 HB3 MET 99 -11.818 9.773 5.012 773 HG2 MET 99 HG2 MET 99 -13.903 10.491 6.128 774 HG3 MET 99 HG3 MET 99 -14.788 10.246 4.624 775 HE1 MET 99 HE1 MET 99 -14.811 8.393 3.321 776 HE2 MET 99 HE2 MET 99 -15.457 6.922 4.046 777 HE3 MET 99 HE3 MET 99 -13.767 6.993 3.554 778 H ARG 100 H ARG 100 -10.318 12.293 5.249 779 HA ARG 100 HA ARG 100 -8.780 12.649 2.762 780 HB2 ARG 100 HB2 ARG 100 -8.862 14.502 4.399 781 HB3 ARG 100 HB3 ARG 100 -8.167 13.446 5.625 782 HG2 ARG 100 HG2 ARG 100 -6.157 13.157 4.141 783 HG3 ARG 100 HG3 ARG 100 -6.866 14.318 3.025 784 HD2 ARG 100 HD2 ARG 100 -6.271 14.897 5.934 785 HD3 ARG 100 HD3 ARG 100 -5.200 15.333 4.613 786 HE ARG 100 HE ARG 100 -7.732 16.597 5.325 787 HH11 ARG 100 HH11 ARG 100 -4.946 16.579 3.327 788 HH12 ARG 100 HH12 ARG 100 -5.566 17.717 2.178 789 HH21 ARG 100 HH21 ARG 100 -8.012 18.655 4.450 790 HH22 ARG 100 HH22 ARG 100 -7.532 18.894 2.805 791 H TYR 101 H TYR 101 -7.182 11.274 2.227 792 HA TYR 101 HA TYR 101 -6.353 9.230 4.195 793 HB2 TYR 101 HB2 TYR 101 -7.751 8.915 1.653 794 HB3 TYR 101 HB3 TYR 101 -6.256 7.990 1.701 795 HD1 TYR 101 HD1 TYR 101 -5.872 6.328 3.547 796 HD2 TYR 101 HD2 TYR 101 -9.645 8.328 3.069 797 HE1 TYR 101 HE1 TYR 101 -6.925 4.728 5.110 798 HE2 TYR 101 HE2 TYR 101 -10.716 6.637 4.529 799 HH TYR 101 HH TYR 101 -9.180 3.766 5.399 800 HA PRO 102 HA PRO 102 -2.413 10.943 2.611 801 HB2 PRO 102 HB2 PRO 102 -0.871 9.857 4.575 802 HB3 PRO 102 HB3 PRO 102 -1.791 11.357 4.795 803 HG2 PRO 102 HG2 PRO 102 -2.448 8.590 5.700 804 HG3 PRO 102 HG3 PRO 102 -2.631 10.132 6.551 805 HD2 PRO 102 HD2 PRO 102 -4.693 8.826 5.261 806 HD3 PRO 102 HD3 PRO 102 -4.662 10.579 5.546 807 H TYR 103 H TYR 103 -0.957 9.931 1.289 808 HA TYR 103 HA TYR 103 -0.961 6.965 1.258 809 HB2 TYR 103 HB2 TYR 103 -2.081 8.040 -0.700 810 HB3 TYR 103 HB3 TYR 103 -0.562 8.842 -1.090 811 HD1 TYR 103 HD1 TYR 103 -2.364 5.658 -0.943 812 HD2 TYR 103 HD2 TYR 103 1.268 7.601 -2.131 813 HE1 TYR 103 HE1 TYR 103 -1.752 3.704 -2.328 814 HE2 TYR 103 HE2 TYR 103 2.066 5.488 -3.144 815 HH TYR 103 HH TYR 103 -0.061 3.258 -4.232 816 H ILE 104 H ILE 104 1.006 6.002 1.437 817 HA ILE 104 HA ILE 104 3.353 7.803 1.495 818 HB ILE 104 HB ILE 104 2.912 5.203 2.974 819 HG12 ILE 104 HG12 ILE 104 3.265 8.016 4.048 820 HG13 ILE 104 HG13 ILE 104 1.691 7.262 3.812 821 HG21 ILE 104 HG21 ILE 104 5.255 5.483 2.284 822 HG22 ILE 104 HG22 ILE 104 5.103 5.742 4.021 823 HG23 ILE 104 HG23 ILE 104 5.264 7.121 2.933 824 HD11 ILE 104 HD11 ILE 104 2.423 6.994 6.138 825 HD12 ILE 104 HD12 ILE 104 3.910 6.218 5.599 826 HD13 ILE 104 HD13 ILE 104 2.357 5.422 5.341 827 H LYS 105 H LYS 105 4.929 7.445 0.074 828 HA LYS 105 HA LYS 105 4.807 5.025 -1.619 829 HB2 LYS 105 HB2 LYS 105 4.522 7.230 -2.728 830 HB3 LYS 105 HB3 LYS 105 6.107 7.712 -2.128 831 HG2 LYS 105 HG2 LYS 105 7.160 5.876 -3.373 832 HG3 LYS 105 HG3 LYS 105 5.580 5.325 -3.927 833 HD2 LYS 105 HD2 LYS 105 5.245 7.488 -5.088 834 HD3 LYS 105 HD3 LYS 105 6.834 8.024 -4.547 835 HE2 LYS 105 HE2 LYS 105 7.886 6.159 -5.769 836 HE3 LYS 105 HE3 LYS 105 6.301 5.596 -6.296 837 HZ1 LYS 105 HZ1 LYS 105 6.908 6.856 -8.071 838 HZ2 LYS 105 HZ2 LYS 105 7.821 7.948 -7.147 839 HZ3 LYS 105 HZ3 LYS 105 6.126 8.050 -7.150 Start of MODEL 7 1 H LYS 15 H LYS 15 -19.039 -19.023 4.693 2 HA LYS 15 HA LYS 15 -17.501 -18.510 2.958 3 HB2 LYS 15 HB2 LYS 15 -17.527 -20.764 3.958 4 HB3 LYS 15 HB3 LYS 15 -18.637 -21.311 2.708 5 HG2 LYS 15 HG2 LYS 15 -16.952 -20.857 0.981 6 HG3 LYS 15 HG3 LYS 15 -15.847 -20.224 2.201 7 HD2 LYS 15 HD2 LYS 15 -15.874 -22.462 3.313 8 HD3 LYS 15 HD3 LYS 15 -16.929 -23.055 2.036 9 HE2 LYS 15 HE2 LYS 15 -15.209 -22.550 0.351 10 HE3 LYS 15 HE3 LYS 15 -14.154 -21.938 1.619 11 HZ1 LYS 15 HZ1 LYS 15 -13.461 -24.114 1.400 12 HZ2 LYS 15 HZ2 LYS 15 -15.038 -24.704 1.161 13 HZ3 LYS 15 HZ3 LYS 15 -14.538 -24.200 2.705 14 H GLU 16 H GLU 16 -19.663 -20.753 1.233 15 HA GLU 16 HA GLU 16 -19.201 -19.504 -1.235 16 HB2 GLU 16 HB2 GLU 16 -21.413 -21.397 -0.376 17 HB3 GLU 16 HB3 GLU 16 -21.100 -20.934 -2.045 18 HG2 GLU 16 HG2 GLU 16 -19.124 -22.331 -0.198 19 HG3 GLU 16 HG3 GLU 16 -20.053 -23.094 -1.475 20 H ARG 17 H ARG 17 -21.833 -19.180 1.057 21 HA ARG 17 HA ARG 17 -23.578 -17.582 -0.423 22 HB2 ARG 17 HB2 ARG 17 -24.142 -18.676 1.733 23 HB3 ARG 17 HB3 ARG 17 -23.077 -17.547 2.564 24 HG2 ARG 17 HG2 ARG 17 -24.448 -15.655 1.777 25 HG3 ARG 17 HG3 ARG 17 -25.533 -16.777 0.956 26 HD2 ARG 17 HD2 ARG 17 -26.010 -17.854 3.162 27 HD3 ARG 17 HD3 ARG 17 -25.030 -16.610 3.936 28 HE ARG 17 HE ARG 17 -27.199 -15.653 2.239 29 HH11 ARG 17 HH11 ARG 17 -26.303 -16.862 5.337 30 HH12 ARG 17 HH12 ARG 17 -27.483 -15.935 6.196 31 HH21 ARG 17 HH21 ARG 17 -28.740 -14.400 3.336 32 HH22 ARG 17 HH22 ARG 17 -29.094 -14.770 4.988 33 H ILE 18 H ILE 18 -20.906 -16.529 1.765 34 HA ILE 18 HA ILE 18 -21.499 -13.802 1.475 35 HB ILE 18 HB ILE 18 -20.059 -14.789 3.306 36 HG12 ILE 18 HG12 ILE 18 -18.489 -12.786 3.344 37 HG13 ILE 18 HG13 ILE 18 -19.185 -12.317 1.797 38 HG21 ILE 18 HG21 ILE 18 -17.623 -14.812 2.894 39 HG22 ILE 18 HG22 ILE 18 -17.901 -14.547 1.178 40 HG23 ILE 18 HG23 ILE 18 -18.442 -16.041 1.947 41 HD11 ILE 18 HD11 ILE 18 -20.477 -11.121 3.362 42 HD12 ILE 18 HD12 ILE 18 -20.481 -12.464 4.505 43 HD13 ILE 18 HD13 ILE 18 -21.480 -12.536 3.054 44 H ASP 19 H ASP 19 -19.396 -15.912 -0.300 45 HA ASP 19 HA ASP 19 -18.012 -14.003 -1.844 46 HB2 ASP 19 HB2 ASP 19 -18.601 -16.925 -2.028 47 HB3 ASP 19 HB3 ASP 19 -17.933 -16.133 -3.441 48 H ILE 20 H ILE 20 -21.030 -15.773 -2.439 49 HA ILE 20 HA ILE 20 -21.578 -14.741 -4.995 50 HB ILE 20 HB ILE 20 -23.432 -15.711 -2.814 51 HG12 ILE 20 HG12 ILE 20 -21.874 -17.355 -3.775 52 HG13 ILE 20 HG13 ILE 20 -23.544 -17.743 -4.145 53 HG21 ILE 20 HG21 ILE 20 -24.076 -14.873 -5.644 54 HG22 ILE 20 HG22 ILE 20 -24.786 -14.277 -4.146 55 HG23 ILE 20 HG23 ILE 20 -25.123 -15.922 -4.683 56 HD11 ILE 20 HD11 ILE 20 -22.481 -18.112 -6.178 57 HD12 ILE 20 HD12 ILE 20 -21.352 -16.780 -5.960 58 HD13 ILE 20 HD13 ILE 20 -23.035 -16.449 -6.391 59 H LEU 21 H LEU 21 -22.487 -13.526 -1.787 60 HA LEU 21 HA LEU 21 -24.019 -11.317 -2.647 61 HB2 LEU 21 HB2 LEU 21 -22.442 -11.779 -0.101 62 HB3 LEU 21 HB3 LEU 21 -23.471 -10.371 -0.363 63 HG LEU 21 HG LEU 21 -24.458 -13.221 -0.654 64 HD11 LEU 21 HD11 LEU 21 -24.689 -11.358 1.727 65 HD12 LEU 21 HD12 LEU 21 -23.711 -12.817 1.659 66 HD13 LEU 21 HD13 LEU 21 -25.468 -12.930 1.575 67 HD21 LEU 21 HD21 LEU 21 -25.571 -10.588 -1.163 68 HD22 LEU 21 HD22 LEU 21 -26.533 -11.459 0.025 69 HD23 LEU 21 HD23 LEU 21 -26.228 -12.170 -1.554 70 H PHE 22 H PHE 22 -20.565 -11.652 -1.967 71 HA PHE 22 HA PHE 22 -19.819 -9.000 -2.386 72 HB2 PHE 22 HB2 PHE 22 -18.255 -10.678 -1.503 73 HB3 PHE 22 HB3 PHE 22 -18.279 -11.512 -3.051 74 HD1 PHE 22 HD1 PHE 22 -17.280 -8.261 -1.428 75 HD2 PHE 22 HD2 PHE 22 -16.839 -10.935 -4.768 76 HE1 PHE 22 HE1 PHE 22 -15.362 -6.931 -2.284 77 HE2 PHE 22 HE2 PHE 22 -15.215 -9.389 -5.784 78 HZ PHE 22 HZ PHE 22 -14.688 -7.254 -4.652 79 H SER 23 H SER 23 -20.166 -11.646 -4.766 80 HA SER 23 HA SER 23 -19.296 -10.196 -7.048 81 HB2 SER 23 HB2 SER 23 -21.234 -12.510 -6.822 82 HB3 SER 23 HB3 SER 23 -20.490 -11.947 -8.320 83 HG SER 23 HG SER 23 -18.516 -12.211 -6.722 84 H LEU 24 H LEU 24 -22.480 -10.748 -5.638 85 HA LEU 24 HA LEU 24 -24.002 -9.274 -7.505 86 HB2 LEU 24 HB2 LEU 24 -24.462 -9.910 -4.587 87 HB3 LEU 24 HB3 LEU 24 -25.656 -9.090 -5.591 88 HG LEU 24 HG LEU 24 -24.443 -11.781 -6.287 89 HD11 LEU 24 HD11 LEU 24 -26.734 -12.636 -5.547 90 HD12 LEU 24 HD12 LEU 24 -26.937 -11.087 -4.727 91 HD13 LEU 24 HD13 LEU 24 -25.619 -12.171 -4.264 92 HD21 LEU 24 HD21 LEU 24 -26.820 -11.735 -7.521 93 HD22 LEU 24 HD22 LEU 24 -25.361 -11.101 -8.267 94 HD23 LEU 24 HD23 LEU 24 -26.505 -10.000 -7.495 95 H ALA 25 H ALA 25 -22.483 -8.284 -4.432 96 HA ALA 25 HA ALA 25 -23.438 -5.663 -4.425 97 HB1 ALA 25 HB1 ALA 25 -22.474 -6.376 -2.406 98 HB2 ALA 25 HB2 ALA 25 -21.283 -5.239 -3.039 99 HB3 ALA 25 HB3 ALA 25 -21.024 -6.975 -3.217 100 H GLU 26 H GLU 26 -20.583 -7.092 -5.838 101 HA GLU 26 HA GLU 26 -19.287 -4.767 -6.687 102 HB2 GLU 26 HB2 GLU 26 -18.209 -6.997 -6.569 103 HB3 GLU 26 HB3 GLU 26 -19.160 -7.501 -7.959 104 HG2 GLU 26 HG2 GLU 26 -18.117 -5.802 -9.359 105 HG3 GLU 26 HG3 GLU 26 -17.210 -5.185 -7.986 106 H ARG 27 H ARG 27 -21.574 -6.868 -8.469 107 HA ARG 27 HA ARG 27 -21.476 -5.385 -10.881 108 HB2 ARG 27 HB2 ARG 27 -22.433 -7.649 -10.767 109 HB3 ARG 27 HB3 ARG 27 -23.774 -7.026 -9.803 110 HG2 ARG 27 HG2 ARG 27 -24.383 -5.515 -11.686 111 HG3 ARG 27 HG3 ARG 27 -23.084 -6.218 -12.648 112 HD2 ARG 27 HD2 ARG 27 -24.126 -8.467 -12.349 113 HD3 ARG 27 HD3 ARG 27 -25.478 -7.689 -11.521 114 HE ARG 27 HE ARG 27 -24.844 -7.559 -14.363 115 HH11 ARG 27 HH11 ARG 27 -26.438 -5.826 -11.790 116 HH12 ARG 27 HH12 ARG 27 -27.730 -5.295 -12.830 117 HH21 ARG 27 HH21 ARG 27 -26.373 -6.688 -15.668 118 HH22 ARG 27 HH22 ARG 27 -27.704 -5.790 -15.011 119 H VAL 28 H VAL 28 -23.720 -5.146 -8.115 120 HA VAL 28 HA VAL 28 -25.307 -3.108 -9.219 121 HB VAL 28 HB VAL 28 -26.051 -4.481 -7.365 122 HG11 VAL 28 HG11 VAL 28 -24.031 -3.005 -5.654 123 HG12 VAL 28 HG12 VAL 28 -23.857 -4.652 -6.254 124 HG13 VAL 28 HG13 VAL 28 -25.152 -4.262 -5.131 125 HG21 VAL 28 HG21 VAL 28 -27.131 -2.312 -7.611 126 HG22 VAL 28 HG22 VAL 28 -25.902 -1.542 -6.608 127 HG23 VAL 28 HG23 VAL 28 -26.993 -2.735 -5.906 128 H PHE 29 H PHE 29 -22.421 -3.083 -7.329 129 HA PHE 29 HA PHE 29 -22.225 -0.628 -6.335 130 HB2 PHE 29 HB2 PHE 29 -20.613 -2.188 -5.758 131 HB3 PHE 29 HB3 PHE 29 -20.130 -2.487 -7.415 132 HD1 PHE 29 HD1 PHE 29 -20.599 0.755 -5.661 133 HD2 PHE 29 HD2 PHE 29 -17.848 -2.248 -6.786 134 HE1 PHE 29 HE1 PHE 29 -18.686 2.351 -5.739 135 HE2 PHE 29 HE2 PHE 29 -15.970 -0.852 -6.017 136 HZ PHE 29 HZ PHE 29 -16.433 1.457 -5.206 137 HA PRO 30 HA PRO 30 -20.473 1.450 -10.412 138 HB2 PRO 30 HB2 PRO 30 -20.851 -0.038 -12.684 139 HB3 PRO 30 HB3 PRO 30 -19.336 -0.003 -11.768 140 HG2 PRO 30 HG2 PRO 30 -21.518 -2.033 -11.755 141 HG3 PRO 30 HG3 PRO 30 -19.765 -2.267 -11.716 142 HD2 PRO 30 HD2 PRO 30 -21.330 -2.442 -9.487 143 HD3 PRO 30 HD3 PRO 30 -19.641 -1.904 -9.431 144 H TYR 31 H TYR 31 -23.305 -0.686 -10.433 145 HA TYR 31 HA TYR 31 -24.704 0.644 -12.513 146 HB2 TYR 31 HB2 TYR 31 -25.305 -1.615 -11.953 147 HB3 TYR 31 HB3 TYR 31 -25.713 -1.161 -10.307 148 HD1 TYR 31 HD1 TYR 31 -26.594 -0.463 -13.873 149 HD2 TYR 31 HD2 TYR 31 -27.932 -0.469 -9.795 150 HE1 TYR 31 HE1 TYR 31 -28.898 0.079 -14.619 151 HE2 TYR 31 HE2 TYR 31 -30.170 0.322 -10.555 152 HH TYR 31 HH TYR 31 -31.496 -0.559 -13.100 153 H SER 32 H SER 32 -24.838 0.825 -9.038 154 HA SER 32 HA SER 32 -25.538 3.604 -8.963 155 HB2 SER 32 HB2 SER 32 -27.782 3.136 -9.172 156 HB3 SER 32 HB3 SER 32 -27.604 1.500 -8.538 157 HG SER 32 HG SER 32 -28.668 2.745 -7.036 158 HA PRO 33 HA PRO 33 -23.179 2.855 -5.106 159 HB2 PRO 33 HB2 PRO 33 -24.391 5.524 -4.525 160 HB3 PRO 33 HB3 PRO 33 -22.706 4.999 -4.354 161 HG2 PRO 33 HG2 PRO 33 -23.432 6.573 -6.345 162 HG3 PRO 33 HG3 PRO 33 -22.282 5.252 -6.622 163 HD2 PRO 33 HD2 PRO 33 -25.222 5.375 -7.306 164 HD3 PRO 33 HD3 PRO 33 -23.876 4.701 -8.249 165 H GLU 34 H GLU 34 -26.498 4.141 -5.199 166 HA GLU 34 HA GLU 34 -27.057 3.681 -2.448 167 HB2 GLU 34 HB2 GLU 34 -28.856 4.211 -4.808 168 HB3 GLU 34 HB3 GLU 34 -29.440 4.073 -3.149 169 HG2 GLU 34 HG2 GLU 34 -27.986 5.921 -2.456 170 HG3 GLU 34 HG3 GLU 34 -27.321 6.029 -4.076 171 H LEU 35 H LEU 35 -27.745 1.816 -5.370 172 HA LEU 35 HA LEU 35 -29.257 -0.212 -4.045 173 HB2 LEU 35 HB2 LEU 35 -27.809 -0.171 -6.681 174 HB3 LEU 35 HB3 LEU 35 -28.719 -1.565 -6.099 175 HG LEU 35 HG LEU 35 -29.914 1.203 -6.347 176 HD11 LEU 35 HD11 LEU 35 -29.590 -1.014 -8.326 177 HD12 LEU 35 HD12 LEU 35 -29.537 0.729 -8.563 178 HD13 LEU 35 HD13 LEU 35 -31.087 -0.080 -8.344 179 HD21 LEU 35 HD21 LEU 35 -30.998 -1.556 -5.783 180 HD22 LEU 35 HD22 LEU 35 -32.036 -0.264 -6.379 181 HD23 LEU 35 HD23 LEU 35 -31.216 -0.082 -4.839 182 H ALA 36 H ALA 36 -25.881 0.199 -4.845 183 HA ALA 36 HA ALA 36 -24.872 -2.278 -3.919 184 HB1 ALA 36 HB1 ALA 36 -23.141 0.132 -3.691 185 HB2 ALA 36 HB2 ALA 36 -23.771 -0.257 -5.294 186 HB3 ALA 36 HB3 ALA 36 -22.806 -1.446 -4.413 187 H LYS 37 H LYS 37 -25.478 0.769 -2.403 188 HA LYS 37 HA LYS 37 -24.344 0.448 0.131 189 HB2 LYS 37 HB2 LYS 37 -25.235 2.528 -0.736 190 HB3 LYS 37 HB3 LYS 37 -26.836 1.837 -0.854 191 HG2 LYS 37 HG2 LYS 37 -26.747 3.272 1.075 192 HG3 LYS 37 HG3 LYS 37 -26.918 1.614 1.593 193 HD2 LYS 37 HD2 LYS 37 -24.688 1.506 2.385 194 HD3 LYS 37 HD3 LYS 37 -24.220 2.969 1.522 195 HE2 LYS 37 HE2 LYS 37 -25.199 4.352 3.067 196 HE3 LYS 37 HE3 LYS 37 -26.501 3.228 3.419 197 HZ1 LYS 37 HZ1 LYS 37 -23.822 2.455 4.249 198 HZ2 LYS 37 HZ2 LYS 37 -25.304 2.198 5.004 199 HZ3 LYS 37 HZ3 LYS 37 -24.552 3.699 5.114 200 H ARG 38 H ARG 38 -27.670 -0.380 -0.965 201 HA ARG 38 HA ARG 38 -28.472 -1.493 1.530 202 HB2 ARG 38 HB2 ARG 38 -29.506 -1.848 -1.290 203 HB3 ARG 38 HB3 ARG 38 -30.251 -2.612 0.118 204 HG2 ARG 38 HG2 ARG 38 -30.610 -0.460 1.170 205 HG3 ARG 38 HG3 ARG 38 -29.735 0.381 -0.110 206 HD2 ARG 38 HD2 ARG 38 -32.121 0.617 -0.484 207 HD3 ARG 38 HD3 ARG 38 -31.470 -0.449 -1.730 208 HE ARG 38 HE ARG 38 -32.325 -1.953 0.531 209 HH11 ARG 38 HH11 ARG 38 -33.732 0.112 -1.869 210 HH12 ARG 38 HH12 ARG 38 -34.872 -1.085 -2.388 211 HH21 ARG 38 HH21 ARG 38 -34.144 -3.237 0.200 212 HH22 ARG 38 HH22 ARG 38 -35.486 -2.498 -0.596 213 H TYR 39 H TYR 39 -27.082 -2.887 -1.395 214 HA TYR 39 HA TYR 39 -27.200 -5.580 -0.602 215 HB2 TYR 39 HB2 TYR 39 -25.711 -4.109 -2.727 216 HB3 TYR 39 HB3 TYR 39 -25.356 -5.807 -2.407 217 HD1 TYR 39 HD1 TYR 39 -28.430 -3.632 -2.769 218 HD2 TYR 39 HD2 TYR 39 -26.417 -7.261 -3.813 219 HE1 TYR 39 HE1 TYR 39 -30.394 -4.355 -4.031 220 HE2 TYR 39 HE2 TYR 39 -28.516 -8.086 -4.876 221 HH TYR 39 HH TYR 39 -30.915 -5.883 -5.958 222 H VAL 40 H VAL 40 -24.535 -3.240 -0.264 223 HA VAL 40 HA VAL 40 -22.667 -5.145 0.632 224 HB VAL 40 HB VAL 40 -22.691 -2.166 1.070 225 HG11 VAL 40 HG11 VAL 40 -21.428 -3.184 2.866 226 HG12 VAL 40 HG12 VAL 40 -20.259 -2.569 1.696 227 HG13 VAL 40 HG13 VAL 40 -20.623 -4.290 1.759 228 HG21 VAL 40 HG21 VAL 40 -21.798 -4.000 -1.060 229 HG22 VAL 40 HG22 VAL 40 -20.593 -2.808 -0.583 230 HG23 VAL 40 HG23 VAL 40 -22.177 -2.280 -1.131 231 H GLU 41 H GLU 41 -24.973 -3.136 2.375 232 HA GLU 41 HA GLU 41 -24.011 -3.678 5.022 233 HB2 GLU 41 HB2 GLU 41 -26.787 -2.882 4.103 234 HB3 GLU 41 HB3 GLU 41 -26.301 -3.053 5.781 235 HG2 GLU 41 HG2 GLU 41 -24.658 -1.268 5.541 236 HG3 GLU 41 HG3 GLU 41 -25.044 -1.108 3.838 237 H LEU 42 H LEU 42 -26.415 -5.059 2.872 238 HA LEU 42 HA LEU 42 -27.379 -7.125 4.474 239 HB2 LEU 42 HB2 LEU 42 -28.374 -6.616 2.315 240 HB3 LEU 42 HB3 LEU 42 -26.890 -7.052 1.483 241 HG LEU 42 HG LEU 42 -27.175 -9.399 2.371 242 HD11 LEU 42 HD11 LEU 42 -28.574 -9.202 4.244 243 HD12 LEU 42 HD12 LEU 42 -29.659 -9.848 3.019 244 HD13 LEU 42 HD13 LEU 42 -29.698 -8.134 3.417 245 HD21 LEU 42 HD21 LEU 42 -29.192 -9.845 0.831 246 HD22 LEU 42 HD22 LEU 42 -27.795 -9.042 0.122 247 HD23 LEU 42 HD23 LEU 42 -29.213 -8.107 0.571 248 H ALA 43 H ALA 43 -24.507 -7.057 2.312 249 HA ALA 43 HA ALA 43 -23.709 -9.681 2.870 250 HB1 ALA 43 HB1 ALA 43 -22.616 -8.741 1.030 251 HB2 ALA 43 HB2 ALA 43 -21.357 -8.755 2.260 252 HB3 ALA 43 HB3 ALA 43 -22.209 -7.266 1.896 253 H LEU 44 H LEU 44 -22.772 -6.644 4.483 254 HA LEU 44 HA LEU 44 -21.130 -7.811 6.441 255 HB2 LEU 44 HB2 LEU 44 -22.601 -5.230 6.206 256 HB3 LEU 44 HB3 LEU 44 -21.898 -5.675 7.757 257 HG LEU 44 HG LEU 44 -19.710 -6.031 6.662 258 HD11 LEU 44 HD11 LEU 44 -19.366 -5.191 4.352 259 HD12 LEU 44 HD12 LEU 44 -21.112 -5.033 4.172 260 HD13 LEU 44 HD13 LEU 44 -20.390 -6.622 4.429 261 HD21 LEU 44 HD21 LEU 44 -21.027 -3.499 7.037 262 HD22 LEU 44 HD22 LEU 44 -19.867 -3.381 5.710 263 HD23 LEU 44 HD23 LEU 44 -19.342 -3.946 7.299 264 H LEU 45 H LEU 45 -24.579 -7.074 6.473 265 HA LEU 45 HA LEU 45 -25.147 -7.928 9.073 266 HB2 LEU 45 HB2 LEU 45 -26.722 -6.609 7.721 267 HB3 LEU 45 HB3 LEU 45 -26.944 -7.969 6.628 268 HG LEU 45 HG LEU 45 -27.897 -9.299 8.466 269 HD11 LEU 45 HD11 LEU 45 -28.479 -7.896 10.590 270 HD12 LEU 45 HD12 LEU 45 -27.157 -6.857 10.063 271 HD13 LEU 45 HD13 LEU 45 -26.858 -8.555 10.427 272 HD21 LEU 45 HD21 LEU 45 -29.323 -7.624 7.091 273 HD22 LEU 45 HD22 LEU 45 -29.345 -6.662 8.568 274 HD23 LEU 45 HD23 LEU 45 -30.009 -8.291 8.561 275 H VAL 46 H VAL 46 -25.269 -9.657 6.006 276 HA VAL 46 HA VAL 46 -25.824 -12.224 6.974 277 HB VAL 46 HB VAL 46 -24.308 -11.289 4.540 278 HG11 VAL 46 HG11 VAL 46 -23.520 -13.469 4.658 279 HG12 VAL 46 HG12 VAL 46 -25.029 -13.719 3.782 280 HG13 VAL 46 HG13 VAL 46 -24.950 -14.052 5.513 281 HG21 VAL 46 HG21 VAL 46 -26.953 -12.642 4.417 282 HG22 VAL 46 HG22 VAL 46 -26.339 -11.290 3.473 283 HG23 VAL 46 HG23 VAL 46 -26.939 -11.024 5.105 284 H GLN 47 H GLN 47 -22.784 -10.508 6.563 285 HA GLN 47 HA GLN 47 -21.037 -12.706 6.813 286 HB2 GLN 47 HB2 GLN 47 -20.419 -10.521 5.834 287 HB3 GLN 47 HB3 GLN 47 -20.596 -9.766 7.414 288 HG2 GLN 47 HG2 GLN 47 -18.757 -11.200 8.278 289 HG3 GLN 47 HG3 GLN 47 -18.583 -11.898 6.669 290 HE21 GLN 47 HE21 GLN 47 -17.011 -10.922 5.425 291 HE22 GLN 47 HE22 GLN 47 -16.678 -9.262 5.412 292 H GLN 48 H GLN 48 -22.123 -10.277 9.199 293 HA GLN 48 HA GLN 48 -20.755 -11.341 11.397 294 HB2 GLN 48 HB2 GLN 48 -22.233 -10.065 12.798 295 HB3 GLN 48 HB3 GLN 48 -21.823 -9.100 11.395 296 HG2 GLN 48 HG2 GLN 48 -23.998 -9.813 10.347 297 HG3 GLN 48 HG3 GLN 48 -24.399 -10.618 11.858 298 HE21 GLN 48 HE21 GLN 48 -25.642 -9.388 13.170 299 HE22 GLN 48 HE22 GLN 48 -25.868 -7.734 12.978 300 H LYS 49 H LYS 49 -23.989 -12.022 10.168 301 HA LYS 49 HA LYS 49 -24.835 -13.765 12.230 302 HB2 LYS 49 HB2 LYS 49 -25.750 -13.441 9.367 303 HB3 LYS 49 HB3 LYS 49 -26.521 -14.532 10.518 304 HG2 LYS 49 HG2 LYS 49 -27.001 -12.678 12.013 305 HG3 LYS 49 HG3 LYS 49 -26.173 -11.547 10.950 306 HD2 LYS 49 HD2 LYS 49 -27.844 -12.080 9.163 307 HD3 LYS 49 HD3 LYS 49 -28.665 -13.171 10.274 308 HE2 LYS 49 HE2 LYS 49 -29.055 -11.282 11.838 309 HE3 LYS 49 HE3 LYS 49 -28.229 -10.205 10.720 310 HZ1 LYS 49 HZ1 LYS 49 -30.628 -10.101 10.443 311 HZ2 LYS 49 HZ2 LYS 49 -30.677 -11.765 10.085 312 HZ3 LYS 49 HZ3 LYS 49 -29.882 -10.691 9.034 313 H ALA 50 H ALA 50 -23.358 -14.437 9.085 314 HA ALA 50 HA ALA 50 -23.236 -17.274 9.412 315 HB1 ALA 50 HB1 ALA 50 -21.768 -15.375 7.579 316 HB2 ALA 50 HB2 ALA 50 -23.187 -16.340 7.196 317 HB3 ALA 50 HB3 ALA 50 -21.639 -17.135 7.490 318 H LYS 51 H LYS 51 -21.546 -14.742 10.795 319 HA LYS 51 HA LYS 51 -19.600 -14.513 11.965 320 HB2 LYS 51 HB2 LYS 51 -21.042 -16.550 13.007 321 HB3 LYS 51 HB3 LYS 51 -19.537 -17.400 12.672 322 HG2 LYS 51 HG2 LYS 51 -18.274 -15.746 13.958 323 HG3 LYS 51 HG3 LYS 51 -19.723 -14.776 14.195 324 HD2 LYS 51 HD2 LYS 51 -20.765 -16.642 15.447 325 HD3 LYS 51 HD3 LYS 51 -19.309 -17.608 15.206 326 HE2 LYS 51 HE2 LYS 51 -17.983 -15.894 16.402 327 HE3 LYS 51 HE3 LYS 51 -19.447 -14.945 16.647 328 HZ1 LYS 51 HZ1 LYS 51 -18.455 -16.903 18.298 329 HZ2 LYS 51 HZ2 LYS 51 -19.814 -17.610 17.564 330 HZ3 LYS 51 HZ3 LYS 51 -19.969 -16.143 18.414 331 H VAL 52 H VAL 52 -18.862 -14.472 9.554 332 HA VAL 52 HA VAL 52 -16.582 -16.341 9.261 333 HB VAL 52 HB VAL 52 -16.748 -15.657 6.799 334 HG11 VAL 52 HG11 VAL 52 -18.917 -17.137 6.546 335 HG12 VAL 52 HG12 VAL 52 -18.725 -17.366 8.278 336 HG13 VAL 52 HG13 VAL 52 -17.436 -17.843 7.175 337 HG21 VAL 52 HG21 VAL 52 -18.504 -13.774 7.629 338 HG22 VAL 52 HG22 VAL 52 -19.633 -15.072 7.233 339 HG23 VAL 52 HG23 VAL 52 -18.527 -14.456 6.007 340 H LYS 53 H LYS 53 -14.633 -15.492 9.283 341 HA LYS 53 HA LYS 53 -14.264 -12.623 9.589 342 HB2 LYS 53 HB2 LYS 53 -13.052 -14.240 11.038 343 HB3 LYS 53 HB3 LYS 53 -12.249 -14.892 9.618 344 HG2 LYS 53 HG2 LYS 53 -11.238 -12.701 9.160 345 HG3 LYS 53 HG3 LYS 53 -12.074 -12.002 10.539 346 HD2 LYS 53 HD2 LYS 53 -10.875 -13.557 12.047 347 HD3 LYS 53 HD3 LYS 53 -10.033 -14.245 10.665 348 HE2 LYS 53 HE2 LYS 53 -9.055 -12.018 10.168 349 HE3 LYS 53 HE3 LYS 53 -9.899 -11.343 11.555 350 HZ1 LYS 53 HZ1 LYS 53 -8.645 -13.471 12.628 351 HZ2 LYS 53 HZ2 LYS 53 -8.067 -11.877 12.666 352 HZ3 LYS 53 HZ3 LYS 53 -7.514 -12.954 11.478 353 H ILE 54 H ILE 54 -13.617 -11.301 8.028 354 HA ILE 54 HA ILE 54 -12.301 -12.423 5.628 355 HB ILE 54 HB ILE 54 -14.475 -10.342 5.863 356 HG12 ILE 54 HG12 ILE 54 -15.407 -11.812 3.975 357 HG13 ILE 54 HG13 ILE 54 -14.159 -12.976 4.412 358 HG21 ILE 54 HG21 ILE 54 -14.084 -10.124 3.323 359 HG22 ILE 54 HG22 ILE 54 -12.485 -10.793 3.644 360 HG23 ILE 54 HG23 ILE 54 -12.978 -9.276 4.399 361 HD11 ILE 54 HD11 ILE 54 -16.693 -12.822 5.518 362 HD12 ILE 54 HD12 ILE 54 -15.694 -12.033 6.730 363 HD13 ILE 54 HD13 ILE 54 -15.319 -13.673 6.210 364 HA PRO 55 HA PRO 55 -9.342 -9.454 7.456 365 HB2 PRO 55 HB2 PRO 55 -7.206 -10.276 5.907 366 HB3 PRO 55 HB3 PRO 55 -7.662 -10.978 7.462 367 HG2 PRO 55 HG2 PRO 55 -8.097 -12.001 4.730 368 HG3 PRO 55 HG3 PRO 55 -7.871 -12.879 6.246 369 HD2 PRO 55 HD2 PRO 55 -10.310 -12.515 4.979 370 HD3 PRO 55 HD3 PRO 55 -10.116 -12.934 6.694 371 H ARG 56 H ARG 56 -9.940 -9.978 4.006 372 HA ARG 56 HA ARG 56 -9.204 -7.167 3.545 373 HB2 ARG 56 HB2 ARG 56 -8.259 -9.572 2.019 374 HB3 ARG 56 HB3 ARG 56 -8.087 -7.922 1.416 375 HG2 ARG 56 HG2 ARG 56 -6.789 -7.339 3.466 376 HG3 ARG 56 HG3 ARG 56 -7.014 -8.986 4.047 377 HD2 ARG 56 HD2 ARG 56 -4.801 -8.781 3.121 378 HD3 ARG 56 HD3 ARG 56 -5.769 -9.853 2.119 379 HE ARG 56 HE ARG 56 -5.878 -7.201 1.097 380 HH11 ARG 56 HH11 ARG 56 -3.631 -9.857 1.501 381 HH12 ARG 56 HH12 ARG 56 -3.019 -9.702 -0.119 382 HH21 ARG 56 HH21 ARG 56 -4.774 -6.854 -0.866 383 HH22 ARG 56 HH22 ARG 56 -3.206 -7.557 -1.026 384 H LYS 57 H LYS 57 -11.159 -9.860 2.273 385 HA LYS 57 HA LYS 57 -11.749 -8.659 -0.158 386 HB2 LYS 57 HB2 LYS 57 -13.324 -10.712 1.413 387 HB3 LYS 57 HB3 LYS 57 -13.740 -10.219 -0.216 388 HG2 LYS 57 HG2 LYS 57 -11.546 -10.969 -1.025 389 HG3 LYS 57 HG3 LYS 57 -11.085 -11.424 0.609 390 HD2 LYS 57 HD2 LYS 57 -12.905 -13.067 0.696 391 HD3 LYS 57 HD3 LYS 57 -13.482 -12.554 -0.882 392 HE2 LYS 57 HE2 LYS 57 -12.164 -14.586 -1.145 393 HE3 LYS 57 HE3 LYS 57 -11.308 -13.240 -1.877 394 HZ1 LYS 57 HZ1 LYS 57 -10.441 -14.913 0.208 395 HZ2 LYS 57 HZ2 LYS 57 -10.544 -13.322 0.799 396 HZ3 LYS 57 HZ3 LYS 57 -9.596 -13.661 -0.570 397 H TRP 58 H TRP 58 -13.626 -8.449 2.863 398 HA TRP 58 HA TRP 58 -15.283 -6.406 1.549 399 HB2 TRP 58 HB2 TRP 58 -15.911 -8.327 3.671 400 HB3 TRP 58 HB3 TRP 58 -16.447 -6.677 4.001 401 HD1 TRP 58 HD1 TRP 58 -17.503 -9.714 2.200 402 HE1 TRP 58 HE1 TRP 58 -19.555 -9.113 0.754 403 HE3 TRP 58 HE3 TRP 58 -16.752 -4.750 1.782 404 HZ2 TRP 58 HZ2 TRP 58 -19.998 -6.958 -1.238 405 HZ3 TRP 58 HZ3 TRP 58 -17.850 -3.457 -0.015 406 HH2 TRP 58 HH2 TRP 58 -19.460 -4.552 -1.537 407 H LYS 59 H LYS 59 -13.014 -7.075 4.094 408 HA LYS 59 HA LYS 59 -13.502 -4.852 5.690 409 HB2 LYS 59 HB2 LYS 59 -12.169 -6.819 6.402 410 HB3 LYS 59 HB3 LYS 59 -10.856 -6.280 5.358 411 HG2 LYS 59 HG2 LYS 59 -10.597 -4.241 6.628 412 HG3 LYS 59 HG3 LYS 59 -11.974 -4.649 7.658 413 HD2 LYS 59 HD2 LYS 59 -10.765 -6.684 8.405 414 HD3 LYS 59 HD3 LYS 59 -9.394 -6.234 7.387 415 HE2 LYS 59 HE2 LYS 59 -9.164 -4.123 8.660 416 HE3 LYS 59 HE3 LYS 59 -10.530 -4.587 9.673 417 HZ1 LYS 59 HZ1 LYS 59 -7.833 -5.772 9.551 418 HZ2 LYS 59 HZ2 LYS 59 -9.141 -6.700 10.102 419 HZ3 LYS 59 HZ3 LYS 59 -8.720 -5.264 10.902 420 H ARG 60 H ARG 60 -11.309 -5.246 2.992 421 HA ARG 60 HA ARG 60 -10.242 -2.527 3.343 422 HB2 ARG 60 HB2 ARG 60 -9.336 -4.834 1.631 423 HB3 ARG 60 HB3 ARG 60 -8.523 -3.274 1.714 424 HG2 ARG 60 HG2 ARG 60 -8.997 -5.120 4.086 425 HG3 ARG 60 HG3 ARG 60 -7.489 -5.023 3.181 426 HD2 ARG 60 HD2 ARG 60 -8.749 -2.627 4.536 427 HD3 ARG 60 HD3 ARG 60 -7.547 -3.651 5.306 428 HE ARG 60 HE ARG 60 -6.497 -2.964 2.831 429 HH11 ARG 60 HH11 ARG 60 -7.125 -1.559 5.943 430 HH12 ARG 60 HH12 ARG 60 -6.042 -0.239 5.683 431 HH21 ARG 60 HH21 ARG 60 -5.306 -1.022 2.455 432 HH22 ARG 60 HH22 ARG 60 -5.507 0.265 3.561 433 H ARG 61 H ARG 61 -12.759 -3.935 1.834 434 HA ARG 61 HA ARG 61 -12.673 -1.993 -0.393 435 HB2 ARG 61 HB2 ARG 61 -13.785 -4.793 -0.385 436 HB3 ARG 61 HB3 ARG 61 -14.188 -3.606 -1.624 437 HG2 ARG 61 HG2 ARG 61 -11.798 -3.354 -2.163 438 HG3 ARG 61 HG3 ARG 61 -11.377 -4.504 -0.900 439 HD2 ARG 61 HD2 ARG 61 -12.664 -6.261 -2.061 440 HD3 ARG 61 HD3 ARG 61 -13.069 -5.115 -3.334 441 HE ARG 61 HE ARG 61 -10.313 -5.112 -3.203 442 HH11 ARG 61 HH11 ARG 61 -12.775 -7.513 -3.705 443 HH12 ARG 61 HH12 ARG 61 -11.761 -8.532 -4.654 444 HH21 ARG 61 HH21 ARG 61 -9.050 -6.338 -4.561 445 HH22 ARG 61 HH22 ARG 61 -9.688 -7.781 -5.272 446 H TYR 62 H TYR 62 -13.758 -1.363 2.225 447 HA TYR 62 HA TYR 62 -16.477 -0.751 1.305 448 HB2 TYR 62 HB2 TYR 62 -17.581 -1.690 3.086 449 HB3 TYR 62 HB3 TYR 62 -16.379 -2.896 2.681 450 HD1 TYR 62 HD1 TYR 62 -13.934 -1.923 4.039 451 HD2 TYR 62 HD2 TYR 62 -17.983 -1.668 5.313 452 HE1 TYR 62 HE1 TYR 62 -13.191 -1.669 6.396 453 HE2 TYR 62 HE2 TYR 62 -17.279 -1.515 7.642 454 HH TYR 62 HH TYR 62 -14.971 -2.472 8.918 455 H CYS 63 H CYS 63 -17.586 0.956 2.463 456 HA CYS 63 HA CYS 63 -15.800 2.942 3.580 457 HB2 CYS 63 HB2 CYS 63 -17.980 3.254 2.053 458 HB3 CYS 63 HB3 CYS 63 -18.737 3.341 3.645 459 H LYS 64 H LYS 64 -15.626 3.601 5.613 460 HA LYS 64 HA LYS 64 -16.114 1.777 7.650 461 HB2 LYS 64 HB2 LYS 64 -15.598 4.762 7.722 462 HB3 LYS 64 HB3 LYS 64 -15.539 3.742 9.150 463 HG2 LYS 64 HG2 LYS 64 -13.737 2.412 8.122 464 HG3 LYS 64 HG3 LYS 64 -13.801 3.424 6.683 465 HD2 LYS 64 HD2 LYS 64 -13.261 4.472 9.485 466 HD3 LYS 64 HD3 LYS 64 -11.991 4.042 8.349 467 HE2 LYS 64 HE2 LYS 64 -12.955 5.701 6.724 468 HE3 LYS 64 HE3 LYS 64 -14.080 6.218 7.976 469 HZ1 LYS 64 HZ1 LYS 64 -11.163 6.177 8.465 470 HZ2 LYS 64 HZ2 LYS 64 -12.368 7.063 9.272 471 HZ3 LYS 64 HZ3 LYS 64 -11.906 7.497 7.695 472 H LYS 65 H LYS 65 -17.909 4.746 6.806 473 HA LYS 65 HA LYS 65 -19.927 4.189 8.826 474 HB2 LYS 65 HB2 LYS 65 -19.377 6.526 8.298 475 HB3 LYS 65 HB3 LYS 65 -19.962 6.291 6.654 476 HG2 LYS 65 HG2 LYS 65 -22.201 5.754 7.498 477 HG3 LYS 65 HG3 LYS 65 -21.634 5.906 9.156 478 HD2 LYS 65 HD2 LYS 65 -21.046 8.284 8.722 479 HD3 LYS 65 HD3 LYS 65 -21.660 8.122 7.080 480 HE2 LYS 65 HE2 LYS 65 -23.887 7.547 7.963 481 HE3 LYS 65 HE3 LYS 65 -23.271 7.679 9.608 482 HZ1 LYS 65 HZ1 LYS 65 -24.253 9.717 7.968 483 HZ2 LYS 65 HZ2 LYS 65 -22.597 10.007 8.191 484 HZ3 LYS 65 HZ3 LYS 65 -23.620 9.851 9.537 485 H CYS 66 H CYS 66 -19.691 4.058 5.287 486 HA CYS 66 HA CYS 66 -22.517 3.714 5.026 487 HB2 CYS 66 HB2 CYS 66 -20.408 3.615 2.872 488 HB3 CYS 66 HB3 CYS 66 -22.136 3.842 2.639 489 H HIS 67 H HIS 67 -19.801 1.604 4.996 490 HA HIS 67 HA HIS 67 -19.628 -0.676 4.734 491 HB2 HIS 67 HB2 HIS 67 -22.535 -0.308 5.471 492 HB3 HIS 67 HB3 HIS 67 -21.823 -1.908 5.301 493 HD1 HIS 67 HD1 HIS 67 -22.836 -1.128 8.066 494 HD2 HIS 67 HD2 HIS 67 -18.999 -0.070 6.784 495 HE1 HIS 67 HE1 HIS 67 -21.375 -0.865 10.157 496 HE2 HIS 67 HE2 HIS 67 -19.296 0.378 9.336 497 H ALA 68 H ALA 68 -19.505 0.694 2.587 498 HA ALA 68 HA ALA 68 -21.139 -0.637 0.514 499 HB1 ALA 68 HB1 ALA 68 -20.258 2.252 0.367 500 HB2 ALA 68 HB2 ALA 68 -21.846 1.776 0.960 501 HB3 ALA 68 HB3 ALA 68 -21.381 1.403 -0.695 502 H PHE 69 H PHE 69 -20.040 -0.706 -1.619 503 HA PHE 69 HA PHE 69 -17.438 -1.820 -1.101 504 HB2 PHE 69 HB2 PHE 69 -19.253 -2.429 -2.934 505 HB3 PHE 69 HB3 PHE 69 -18.422 -1.189 -3.864 506 HD1 PHE 69 HD1 PHE 69 -15.775 -1.360 -3.795 507 HD2 PHE 69 HD2 PHE 69 -18.648 -4.487 -3.689 508 HE1 PHE 69 HE1 PHE 69 -13.975 -3.015 -4.342 509 HE2 PHE 69 HE2 PHE 69 -17.052 -5.963 -4.846 510 HZ PHE 69 HZ PHE 69 -14.759 -5.152 -5.353 511 H LEU 70 H LEU 70 -15.487 -0.763 -1.219 512 HA LEU 70 HA LEU 70 -15.746 2.082 -1.994 513 HB2 LEU 70 HB2 LEU 70 -14.959 1.092 0.364 514 HB3 LEU 70 HB3 LEU 70 -13.415 1.013 -0.468 515 HG LEU 70 HG LEU 70 -13.376 3.090 0.599 516 HD11 LEU 70 HD11 LEU 70 -14.427 3.967 -2.088 517 HD12 LEU 70 HD12 LEU 70 -12.847 3.199 -1.905 518 HD13 LEU 70 HD13 LEU 70 -13.191 4.717 -1.078 519 HD21 LEU 70 HD21 LEU 70 -15.852 2.954 1.080 520 HD22 LEU 70 HD22 LEU 70 -16.139 3.727 -0.470 521 HD23 LEU 70 HD23 LEU 70 -15.223 4.574 0.783 522 H VAL 71 H VAL 71 -15.333 2.155 -4.070 523 HA VAL 71 HA VAL 71 -12.535 1.811 -4.850 524 HB VAL 71 HB VAL 71 -14.871 0.913 -6.563 525 HG11 VAL 71 HG11 VAL 71 -13.265 0.449 -8.323 526 HG12 VAL 71 HG12 VAL 71 -11.948 1.064 -7.338 527 HG13 VAL 71 HG13 VAL 71 -13.199 2.158 -7.922 528 HG21 VAL 71 HG21 VAL 71 -13.878 -1.258 -6.434 529 HG22 VAL 71 HG22 VAL 71 -13.909 -0.637 -4.786 530 HG23 VAL 71 HG23 VAL 71 -12.405 -0.614 -5.703 531 HA PRO 72 HA PRO 72 -13.474 6.057 -6.036 532 HB2 PRO 72 HB2 PRO 72 -11.030 5.946 -7.718 533 HB3 PRO 72 HB3 PRO 72 -11.463 7.031 -6.388 534 HG2 PRO 72 HG2 PRO 72 -9.604 5.089 -6.146 535 HG3 PRO 72 HG3 PRO 72 -10.599 5.664 -4.796 536 HD2 PRO 72 HD2 PRO 72 -10.847 3.140 -6.384 537 HD3 PRO 72 HD3 PRO 72 -11.189 3.432 -4.657 538 H GLY 73 H GLY 73 -14.400 6.993 -7.633 539 HA2 GLY 73 HA2 GLY 73 -14.901 7.567 -9.831 540 HA3 GLY 73 HA3 GLY 73 -14.425 5.967 -10.365 541 H ILE 74 H ILE 74 -16.164 4.991 -7.908 542 HA ILE 74 HA ILE 74 -18.467 4.587 -9.707 543 HB ILE 74 HB ILE 74 -17.370 2.811 -7.531 544 HG12 ILE 74 HG12 ILE 74 -17.588 2.364 -10.531 545 HG13 ILE 74 HG13 ILE 74 -16.138 2.978 -9.747 546 HG21 ILE 74 HG21 ILE 74 -19.167 1.259 -8.661 547 HG22 ILE 74 HG22 ILE 74 -19.877 2.781 -9.203 548 HG23 ILE 74 HG23 ILE 74 -19.698 2.465 -7.483 549 HD11 ILE 74 HD11 ILE 74 -17.009 0.622 -8.359 550 HD12 ILE 74 HD12 ILE 74 -15.490 0.917 -9.211 551 HD13 ILE 74 HD13 ILE 74 -16.879 0.281 -10.091 552 H ASN 75 H ASN 75 -18.119 4.104 -6.186 553 HA ASN 75 HA ASN 75 -20.582 5.693 -5.767 554 HB2 ASN 75 HB2 ASN 75 -20.849 4.578 -3.650 555 HB3 ASN 75 HB3 ASN 75 -20.664 3.365 -4.908 556 HD21 ASN 75 HD21 ASN 75 -20.199 2.991 -2.057 557 HD22 ASN 75 HD22 ASN 75 -18.655 2.278 -2.043 558 H ALA 76 H ALA 76 -17.504 6.167 -5.817 559 HA ALA 76 HA ALA 76 -17.334 8.307 -3.895 560 HB1 ALA 76 HB1 ALA 76 -15.648 7.318 -2.496 561 HB2 ALA 76 HB2 ALA 76 -15.347 6.031 -3.656 562 HB3 ALA 76 HB3 ALA 76 -16.824 6.019 -2.699 563 H ARG 77 H ARG 77 -15.487 9.618 -4.479 564 HA ARG 77 HA ARG 77 -13.907 8.682 -6.802 565 HB2 ARG 77 HB2 ARG 77 -15.769 10.352 -7.385 566 HB3 ARG 77 HB3 ARG 77 -14.848 11.522 -6.453 567 HG2 ARG 77 HG2 ARG 77 -12.874 11.124 -7.882 568 HG3 ARG 77 HG3 ARG 77 -13.763 9.932 -8.805 569 HD2 ARG 77 HD2 ARG 77 -13.749 12.020 -10.034 570 HD3 ARG 77 HD3 ARG 77 -15.388 11.731 -9.462 571 HE ARG 77 HE ARG 77 -15.222 13.607 -8.135 572 HH11 ARG 77 HH11 ARG 77 -12.064 12.595 -9.183 573 HH12 ARG 77 HH12 ARG 77 -11.348 14.150 -8.927 574 HH21 ARG 77 HH21 ARG 77 -14.209 15.683 -7.810 575 HH22 ARG 77 HH22 ARG 77 -12.668 15.914 -8.586 576 H VAL 78 H VAL 78 -11.848 9.463 -6.942 577 HA VAL 78 HA VAL 78 -10.740 10.569 -4.444 578 HB VAL 78 HB VAL 78 -10.394 8.062 -4.731 579 HG11 VAL 78 HG11 VAL 78 -8.908 7.228 -6.350 580 HG12 VAL 78 HG12 VAL 78 -8.273 8.825 -6.742 581 HG13 VAL 78 HG13 VAL 78 -9.888 8.355 -7.278 582 HG21 VAL 78 HG21 VAL 78 -7.737 9.413 -4.755 583 HG22 VAL 78 HG22 VAL 78 -8.385 8.214 -3.628 584 HG23 VAL 78 HG23 VAL 78 -8.900 9.901 -3.529 585 H ARG 79 H ARG 79 -9.336 12.173 -4.702 586 HA ARG 79 HA ARG 79 -8.312 12.694 -7.424 587 HB2 ARG 79 HB2 ARG 79 -9.992 14.371 -6.609 588 HB3 ARG 79 HB3 ARG 79 -8.878 14.809 -5.325 589 HG2 ARG 79 HG2 ARG 79 -7.165 15.345 -7.064 590 HG3 ARG 79 HG3 ARG 79 -8.333 14.943 -8.316 591 HD2 ARG 79 HD2 ARG 79 -8.337 17.342 -8.046 592 HD3 ARG 79 HD3 ARG 79 -9.834 16.731 -7.356 593 HE ARG 79 HE ARG 79 -7.924 16.827 -5.306 594 HH11 ARG 79 HH11 ARG 79 -9.545 19.021 -7.442 595 HH12 ARG 79 HH12 ARG 79 -10.110 20.038 -6.152 596 HH21 ARG 79 HH21 ARG 79 -8.145 18.604 -3.754 597 HH22 ARG 79 HH22 ARG 79 -9.448 19.679 -4.068 598 H LEU 80 H LEU 80 -6.237 12.765 -7.653 599 HA LEU 80 HA LEU 80 -4.584 12.210 -5.266 600 HB2 LEU 80 HB2 LEU 80 -3.839 11.738 -8.158 601 HB3 LEU 80 HB3 LEU 80 -3.059 11.091 -6.721 602 HG LEU 80 HG LEU 80 -5.471 10.095 -6.248 603 HD11 LEU 80 HD11 LEU 80 -6.971 10.360 -7.867 604 HD12 LEU 80 HD12 LEU 80 -5.937 9.475 -8.982 605 HD13 LEU 80 HD13 LEU 80 -5.806 11.221 -8.857 606 HD21 LEU 80 HD21 LEU 80 -3.614 8.879 -8.319 607 HD22 LEU 80 HD22 LEU 80 -4.818 8.016 -7.364 608 HD23 LEU 80 HD23 LEU 80 -3.434 8.757 -6.570 609 H ARG 81 H ARG 81 -3.583 13.879 -4.490 610 HA ARG 81 HA ARG 81 -3.008 16.252 -6.089 611 HB2 ARG 81 HB2 ARG 81 -2.691 15.670 -3.137 612 HB3 ARG 81 HB3 ARG 81 -2.256 17.194 -3.907 613 HG2 ARG 81 HG2 ARG 81 -4.574 17.522 -4.659 614 HG3 ARG 81 HG3 ARG 81 -5.014 15.976 -3.928 615 HD2 ARG 81 HD2 ARG 81 -4.432 16.743 -1.726 616 HD3 ARG 81 HD3 ARG 81 -3.797 18.255 -2.348 617 HE ARG 81 HE ARG 81 -6.612 17.519 -1.955 618 HH11 ARG 81 HH11 ARG 81 -4.369 19.684 -3.479 619 HH12 ARG 81 HH12 ARG 81 -5.399 21.048 -3.314 620 HH21 ARG 81 HH21 ARG 81 -7.640 19.465 -1.305 621 HH22 ARG 81 HH22 ARG 81 -7.363 20.877 -2.239 622 H GLN 82 H GLN 82 -1.099 16.833 -6.798 623 HA GLN 82 HA GLN 82 1.240 15.191 -6.112 624 HB2 GLN 82 HB2 GLN 82 0.559 16.804 -8.565 625 HB3 GLN 82 HB3 GLN 82 2.129 16.052 -8.296 626 HG2 GLN 82 HG2 GLN 82 1.066 13.837 -8.138 627 HG3 GLN 82 HG3 GLN 82 -0.522 14.570 -8.322 628 HE21 GLN 82 HE21 GLN 82 2.007 13.116 -10.065 629 HE22 GLN 82 HE22 GLN 82 1.300 13.414 -11.588 630 H LYS 83 H LYS 83 1.824 16.249 -4.332 631 HA LYS 83 HA LYS 83 3.308 18.769 -4.711 632 HB2 LYS 83 HB2 LYS 83 1.086 18.780 -3.226 633 HB3 LYS 83 HB3 LYS 83 2.159 18.074 -2.028 634 HG2 LYS 83 HG2 LYS 83 3.647 19.986 -2.161 635 HG3 LYS 83 HG3 LYS 83 2.705 20.666 -3.489 636 HD2 LYS 83 HD2 LYS 83 0.736 20.823 -1.993 637 HD3 LYS 83 HD3 LYS 83 1.702 20.173 -0.667 638 HE2 LYS 83 HE2 LYS 83 3.210 22.109 -0.823 639 HE3 LYS 83 HE3 LYS 83 2.256 22.742 -2.167 640 HZ1 LYS 83 HZ1 LYS 83 1.545 23.812 -0.164 641 HZ2 LYS 83 HZ2 LYS 83 1.310 22.317 0.604 642 HZ3 LYS 83 HZ3 LYS 83 0.315 22.772 -0.689 643 H ARG 84 H ARG 84 5.046 18.631 -2.582 644 HA ARG 84 HA ARG 84 6.202 15.887 -2.875 645 HB2 ARG 84 HB2 ARG 84 7.156 18.408 -1.434 646 HB3 ARG 84 HB3 ARG 84 8.019 16.873 -1.490 647 HG2 ARG 84 HG2 ARG 84 8.391 17.076 -3.865 648 HG3 ARG 84 HG3 ARG 84 7.407 18.543 -3.927 649 HD2 ARG 84 HD2 ARG 84 8.987 19.638 -2.372 650 HD3 ARG 84 HD3 ARG 84 9.982 18.190 -2.355 651 HE ARG 84 HE ARG 84 9.688 18.950 -5.032 652 HH11 ARG 84 HH11 ARG 84 11.083 20.187 -2.085 653 HH12 ARG 84 HH12 ARG 84 11.851 21.503 -2.898 654 HH21 ARG 84 HH21 ARG 84 10.993 20.623 -6.012 655 HH22 ARG 84 HH22 ARG 84 12.337 21.186 -5.111 656 H MET 85 H MET 85 3.623 16.365 -1.630 657 HA MET 85 HA MET 85 4.464 14.261 0.231 658 HB2 MET 85 HB2 MET 85 3.177 16.629 1.051 659 HB3 MET 85 HB3 MET 85 1.855 15.500 0.835 660 HG2 MET 85 HG2 MET 85 4.328 14.745 2.390 661 HG3 MET 85 HG3 MET 85 2.954 15.552 3.147 662 HE1 MET 85 HE1 MET 85 3.360 13.608 4.612 663 HE2 MET 85 HE2 MET 85 2.429 12.114 4.503 664 HE3 MET 85 HE3 MET 85 1.599 13.665 4.673 665 HA PRO 86 HA PRO 86 1.466 12.648 -2.970 666 HB2 PRO 86 HB2 PRO 86 1.684 10.046 -1.578 667 HB3 PRO 86 HB3 PRO 86 1.902 10.427 -3.283 668 HG2 PRO 86 HG2 PRO 86 3.948 9.804 -1.651 669 HG3 PRO 86 HG3 PRO 86 4.116 10.868 -3.045 670 HD2 PRO 86 HD2 PRO 86 3.997 11.560 -0.131 671 HD3 PRO 86 HD3 PRO 86 4.883 12.368 -1.441 672 H HIS 87 H HIS 87 -0.738 12.689 -2.671 673 HA HIS 87 HA HIS 87 -1.985 11.940 -0.143 674 HB2 HIS 87 HB2 HIS 87 -1.067 14.328 0.041 675 HB3 HIS 87 HB3 HIS 87 -2.282 14.765 -1.156 676 HD1 HIS 87 HD1 HIS 87 -4.821 14.437 -0.443 677 HD2 HIS 87 HD2 HIS 87 -2.091 13.853 2.654 678 HE1 HIS 87 HE1 HIS 87 -6.142 13.682 1.585 679 HE2 HIS 87 HE2 HIS 87 -4.433 12.916 3.323 680 H ILE 88 H ILE 88 -4.115 11.364 -0.441 681 HA ILE 88 HA ILE 88 -5.385 12.095 -2.994 682 HB ILE 88 HB ILE 88 -6.434 9.925 -3.202 683 HG12 ILE 88 HG12 ILE 88 -4.659 8.967 -0.935 684 HG13 ILE 88 HG13 ILE 88 -6.368 9.336 -0.743 685 HG21 ILE 88 HG21 ILE 88 -3.424 9.978 -2.997 686 HG22 ILE 88 HG22 ILE 88 -4.412 10.259 -4.419 687 HG23 ILE 88 HG23 ILE 88 -4.300 8.645 -3.732 688 HD11 ILE 88 HD11 ILE 88 -6.942 7.341 -1.572 689 HD12 ILE 88 HD12 ILE 88 -5.233 6.907 -1.668 690 HD13 ILE 88 HD13 ILE 88 -6.041 7.644 -3.051 691 H VAL 89 H VAL 89 -7.521 12.641 -2.843 692 HA VAL 89 HA VAL 89 -8.754 12.527 -0.152 693 HB VAL 89 HB VAL 89 -10.119 14.489 -0.995 694 HG11 VAL 89 HG11 VAL 89 -7.764 14.403 0.352 695 HG12 VAL 89 HG12 VAL 89 -8.634 15.896 0.015 696 HG13 VAL 89 HG13 VAL 89 -7.301 15.404 -1.020 697 HG21 VAL 89 HG21 VAL 89 -8.028 15.277 -2.891 698 HG22 VAL 89 HG22 VAL 89 -9.773 15.401 -3.024 699 HG23 VAL 89 HG23 VAL 89 -8.968 13.899 -3.434 700 H VAL 90 H VAL 90 -10.711 11.581 0.047 701 HA VAL 90 HA VAL 90 -11.893 10.374 -2.388 702 HB VAL 90 HB VAL 90 -11.319 9.084 0.284 703 HG11 VAL 90 HG11 VAL 90 -13.434 8.213 -0.103 704 HG12 VAL 90 HG12 VAL 90 -12.459 7.073 -1.014 705 HG13 VAL 90 HG13 VAL 90 -13.301 8.363 -1.848 706 HG21 VAL 90 HG21 VAL 90 -10.190 7.405 -1.208 707 HG22 VAL 90 HG22 VAL 90 -9.472 9.014 -1.270 708 HG23 VAL 90 HG23 VAL 90 -10.523 8.472 -2.572 709 H LYS 91 H LYS 91 -13.981 10.671 -2.565 710 HA LYS 91 HA LYS 91 -15.546 11.447 -0.175 711 HB2 LYS 91 HB2 LYS 91 -17.107 12.366 -2.162 712 HB3 LYS 91 HB3 LYS 91 -15.979 13.379 -1.303 713 HG2 LYS 91 HG2 LYS 91 -15.378 12.002 -3.935 714 HG3 LYS 91 HG3 LYS 91 -15.935 13.651 -3.785 715 HD2 LYS 91 HD2 LYS 91 -13.900 14.247 -2.564 716 HD3 LYS 91 HD3 LYS 91 -13.306 12.601 -2.687 717 HE2 LYS 91 HE2 LYS 91 -13.327 12.824 -5.161 718 HE3 LYS 91 HE3 LYS 91 -13.857 14.491 -4.977 719 HZ1 LYS 91 HZ1 LYS 91 -11.389 13.385 -3.792 720 HZ2 LYS 91 HZ2 LYS 91 -11.894 14.991 -3.728 721 HZ3 LYS 91 HZ3 LYS 91 -11.430 14.311 -5.203 722 H CYS 92 H CYS 92 -17.162 9.926 0.230 723 HA CYS 92 HA CYS 92 -17.906 8.167 -2.035 724 HB2 CYS 92 HB2 CYS 92 -17.004 6.571 -0.675 725 HB3 CYS 92 HB3 CYS 92 -17.272 7.502 0.788 726 H LEU 93 H LEU 93 -19.964 8.128 -2.538 727 HA LEU 93 HA LEU 93 -21.430 10.405 -1.831 728 HB2 LEU 93 HB2 LEU 93 -22.131 7.945 -3.434 729 HB3 LEU 93 HB3 LEU 93 -23.236 9.314 -3.266 730 HG LEU 93 HG LEU 93 -20.349 9.587 -4.192 731 HD11 LEU 93 HD11 LEU 93 -20.930 8.757 -6.177 732 HD12 LEU 93 HD12 LEU 93 -22.040 10.118 -6.368 733 HD13 LEU 93 HD13 LEU 93 -22.622 8.597 -5.703 734 HD21 LEU 93 HD21 LEU 93 -20.882 11.736 -3.714 735 HD22 LEU 93 HD22 LEU 93 -22.616 11.432 -3.736 736 HD23 LEU 93 HD23 LEU 93 -21.754 11.675 -5.251 737 H GLU 94 H GLU 94 -21.689 7.046 -0.980 738 HA GLU 94 HA GLU 94 -24.152 7.119 0.271 739 HB2 GLU 94 HB2 GLU 94 -21.785 5.304 0.728 740 HB3 GLU 94 HB3 GLU 94 -23.371 5.009 1.432 741 HG2 GLU 94 HG2 GLU 94 -22.728 5.229 -1.537 742 HG3 GLU 94 HG3 GLU 94 -23.074 3.749 -0.662 743 H CYS 95 H CYS 95 -20.925 7.792 1.726 744 HA CYS 95 HA CYS 95 -22.277 8.636 4.171 745 HB2 CYS 95 HB2 CYS 95 -19.984 9.768 4.628 746 HB3 CYS 95 HB3 CYS 95 -20.171 8.037 4.805 747 H GLY 96 H GLY 96 -21.095 9.992 1.199 748 HA2 GLY 96 HA2 GLY 96 -21.445 12.050 0.212 749 HA3 GLY 96 HA3 GLY 96 -22.466 12.516 1.561 750 H HIS 97 H HIS 97 -19.360 11.215 2.256 751 HA HIS 97 HA HIS 97 -18.456 13.846 3.229 752 HB2 HIS 97 HB2 HIS 97 -18.332 11.201 4.655 753 HB3 HIS 97 HB3 HIS 97 -17.261 12.525 5.079 754 HD1 HIS 97 HD1 HIS 97 -20.926 11.775 4.646 755 HD2 HIS 97 HD2 HIS 97 -18.452 14.269 6.880 756 HE1 HIS 97 HE1 HIS 97 -22.408 12.992 6.324 757 HE2 HIS 97 HE2 HIS 97 -20.860 14.232 7.885 758 H ILE 98 H ILE 98 -16.334 14.312 3.182 759 HA ILE 98 HA ILE 98 -14.675 12.773 1.323 760 HB ILE 98 HB ILE 98 -14.976 15.177 0.924 761 HG12 ILE 98 HG12 ILE 98 -12.601 15.856 0.781 762 HG13 ILE 98 HG13 ILE 98 -12.154 14.459 1.757 763 HG21 ILE 98 HG21 ILE 98 -14.914 15.438 3.652 764 HG22 ILE 98 HG22 ILE 98 -14.780 16.764 2.511 765 HG23 ILE 98 HG23 ILE 98 -13.326 16.052 3.200 766 HD11 ILE 98 HD11 ILE 98 -13.833 13.625 -0.433 767 HD12 ILE 98 HD12 ILE 98 -12.184 13.138 -0.050 768 HD13 ILE 98 HD13 ILE 98 -12.474 14.561 -1.042 769 H MET 99 H MET 99 -13.154 11.470 2.012 770 HA MET 99 HA MET 99 -11.904 11.900 4.667 771 HB2 MET 99 HB2 MET 99 -12.179 9.368 3.019 772 HB3 MET 99 HB3 MET 99 -11.225 9.505 4.494 773 HG2 MET 99 HG2 MET 99 -13.225 10.177 5.750 774 HG3 MET 99 HG3 MET 99 -14.200 10.035 4.290 775 HE1 MET 99 HE1 MET 99 -14.134 8.121 2.826 776 HE2 MET 99 HE2 MET 99 -14.930 6.728 3.556 777 HE3 MET 99 HE3 MET 99 -13.222 6.646 3.139 778 H ARG 100 H ARG 100 -9.729 12.055 4.759 779 HA ARG 100 HA ARG 100 -8.303 12.327 2.188 780 HB2 ARG 100 HB2 ARG 100 -7.626 13.326 4.963 781 HB3 ARG 100 HB3 ARG 100 -6.605 13.540 3.547 782 HG2 ARG 100 HG2 ARG 100 -8.385 14.828 2.428 783 HG3 ARG 100 HG3 ARG 100 -9.448 14.559 3.808 784 HD2 ARG 100 HD2 ARG 100 -8.467 16.776 3.946 785 HD3 ARG 100 HD3 ARG 100 -7.865 15.782 5.272 786 HE ARG 100 HE ARG 100 -6.166 15.668 2.950 787 HH11 ARG 100 HH11 ARG 100 -6.827 17.338 5.925 788 HH12 ARG 100 HH12 ARG 100 -5.610 18.554 5.669 789 HH21 ARG 100 HH21 ARG 100 -4.329 16.947 2.850 790 HH22 ARG 100 HH22 ARG 100 -3.882 17.862 4.243 791 H TYR 101 H TYR 101 -6.768 10.892 1.662 792 HA TYR 101 HA TYR 101 -5.739 9.071 3.757 793 HB2 TYR 101 HB2 TYR 101 -6.952 8.557 1.181 794 HB3 TYR 101 HB3 TYR 101 -5.311 7.910 1.229 795 HD1 TYR 101 HD1 TYR 101 -4.670 6.707 3.466 796 HD2 TYR 101 HD2 TYR 101 -8.520 6.902 1.658 797 HE1 TYR 101 HE1 TYR 101 -5.452 4.903 4.991 798 HE2 TYR 101 HE2 TYR 101 -9.248 4.927 2.976 799 HH TYR 101 HH TYR 101 -8.179 3.935 5.591 800 HA PRO 102 HA PRO 102 -1.923 11.311 2.454 801 HB2 PRO 102 HB2 PRO 102 -0.980 10.037 4.954 802 HB3 PRO 102 HB3 PRO 102 -0.909 11.743 4.473 803 HG2 PRO 102 HG2 PRO 102 -2.579 10.894 6.378 804 HG3 PRO 102 HG3 PRO 102 -3.038 12.180 5.252 805 HD2 PRO 102 HD2 PRO 102 -3.825 9.257 5.214 806 HD3 PRO 102 HD3 PRO 102 -4.817 10.702 4.903 807 H TYR 103 H TYR 103 -0.239 10.371 1.334 808 HA TYR 103 HA TYR 103 0.498 7.599 1.997 809 HB2 TYR 103 HB2 TYR 103 -0.932 7.519 0.014 810 HB3 TYR 103 HB3 TYR 103 0.100 8.699 -0.795 811 HD1 TYR 103 HD1 TYR 103 0.129 5.319 0.792 812 HD2 TYR 103 HD2 TYR 103 1.901 7.906 -2.134 813 HE1 TYR 103 HE1 TYR 103 1.750 3.544 0.201 814 HE2 TYR 103 HE2 TYR 103 3.544 6.138 -2.687 815 HH TYR 103 HH TYR 103 4.549 3.979 -1.438 816 H ILE 104 H ILE 104 2.631 7.327 2.261 817 HA ILE 104 HA ILE 104 4.435 9.423 1.182 818 HB ILE 104 HB ILE 104 4.665 7.950 3.825 819 HG12 ILE 104 HG12 ILE 104 4.426 10.915 3.245 820 HG13 ILE 104 HG13 ILE 104 3.027 9.900 3.597 821 HG21 ILE 104 HG21 ILE 104 6.886 8.303 2.728 822 HG22 ILE 104 HG22 ILE 104 6.693 9.247 4.190 823 HG23 ILE 104 HG23 ILE 104 6.527 10.024 2.620 824 HD11 ILE 104 HD11 ILE 104 3.527 9.789 5.816 825 HD12 ILE 104 HD12 ILE 104 4.473 11.242 5.490 826 HD13 ILE 104 HD13 ILE 104 5.268 9.670 5.539 827 H LYS 105 H LYS 105 5.865 8.750 -0.155 828 HA LYS 105 HA LYS 105 7.150 7.446 -1.491 829 HB2 LYS 105 HB2 LYS 105 7.751 6.259 1.214 830 HB3 LYS 105 HB3 LYS 105 8.654 5.861 -0.247 831 HG2 LYS 105 HG2 LYS 105 9.233 8.228 -0.555 832 HG3 LYS 105 HG3 LYS 105 8.324 8.639 0.899 833 HD2 LYS 105 HD2 LYS 105 9.832 7.280 2.264 834 HD3 LYS 105 HD3 LYS 105 10.695 6.760 0.812 835 HE2 LYS 105 HE2 LYS 105 11.920 8.600 1.900 836 HE3 LYS 105 HE3 LYS 105 11.271 9.119 0.343 837 HZ1 LYS 105 HZ1 LYS 105 9.348 10.035 1.557 838 HZ2 LYS 105 HZ2 LYS 105 10.810 10.813 1.913 839 HZ3 LYS 105 HZ3 LYS 105 10.149 9.703 3.017 Start of MODEL 8 1 H LYS 15 H LYS 15 -20.027 -17.949 3.960 2 HA LYS 15 HA LYS 15 -17.282 -17.028 3.331 3 HB2 LYS 15 HB2 LYS 15 -18.456 -19.815 3.489 4 HB3 LYS 15 HB3 LYS 15 -16.928 -19.444 2.687 5 HG2 LYS 15 HG2 LYS 15 -16.035 -18.523 4.799 6 HG3 LYS 15 HG3 LYS 15 -17.561 -18.892 5.607 7 HD2 LYS 15 HD2 LYS 15 -17.237 -21.290 5.173 8 HD3 LYS 15 HD3 LYS 15 -15.751 -20.940 4.285 9 HE2 LYS 15 HE2 LYS 15 -14.998 -21.553 6.443 10 HE3 LYS 15 HE3 LYS 15 -14.966 -19.788 6.478 11 HZ1 LYS 15 HZ1 LYS 15 -16.187 -20.041 8.309 12 HZ2 LYS 15 HZ2 LYS 15 -16.642 -21.632 7.926 13 HZ3 LYS 15 HZ3 LYS 15 -17.484 -20.322 7.248 14 H GLU 16 H GLU 16 -19.152 -19.516 1.739 15 HA GLU 16 HA GLU 16 -18.936 -18.324 -0.778 16 HB2 GLU 16 HB2 GLU 16 -20.693 -20.569 0.207 17 HB3 GLU 16 HB3 GLU 16 -20.562 -20.108 -1.494 18 HG2 GLU 16 HG2 GLU 16 -18.145 -20.508 -1.439 19 HG3 GLU 16 HG3 GLU 16 -18.221 -20.876 0.279 20 H ARG 17 H ARG 17 -21.706 -18.401 1.450 21 HA ARG 17 HA ARG 17 -23.577 -17.091 -0.089 22 HB2 ARG 17 HB2 ARG 17 -23.986 -18.062 2.147 23 HB3 ARG 17 HB3 ARG 17 -23.083 -16.743 2.887 24 HG2 ARG 17 HG2 ARG 17 -24.714 -15.123 1.930 25 HG3 ARG 17 HG3 ARG 17 -25.624 -16.470 1.241 26 HD2 ARG 17 HD2 ARG 17 -25.869 -17.408 3.557 27 HD3 ARG 17 HD3 ARG 17 -25.102 -15.946 4.183 28 HE ARG 17 HE ARG 17 -27.322 -15.329 2.493 29 HH11 ARG 17 HH11 ARG 17 -26.265 -16.136 5.701 30 HH12 ARG 17 HH12 ARG 17 -27.685 -15.521 6.475 31 HH21 ARG 17 HH21 ARG 17 -29.218 -14.566 3.516 32 HH22 ARG 17 HH22 ARG 17 -29.219 -14.377 5.235 33 H ILE 18 H ILE 18 -21.204 -15.626 2.091 34 HA ILE 18 HA ILE 18 -21.691 -12.943 1.504 35 HB ILE 18 HB ILE 18 -19.173 -14.370 2.388 36 HG12 ILE 18 HG12 ILE 18 -21.125 -12.628 3.917 37 HG13 ILE 18 HG13 ILE 18 -21.267 -14.382 3.832 38 HG21 ILE 18 HG21 ILE 18 -19.781 -11.397 2.241 39 HG22 ILE 18 HG22 ILE 18 -18.503 -12.250 1.377 40 HG23 ILE 18 HG23 ILE 18 -18.427 -12.087 3.130 41 HD11 ILE 18 HD11 ILE 18 -19.975 -14.361 5.691 42 HD12 ILE 18 HD12 ILE 18 -19.384 -12.729 5.381 43 HD13 ILE 18 HD13 ILE 18 -18.644 -14.103 4.566 44 H ASP 19 H ASP 19 -19.560 -15.289 -0.014 45 HA ASP 19 HA ASP 19 -18.216 -13.596 -1.802 46 HB2 ASP 19 HB2 ASP 19 -17.517 -15.878 -1.181 47 HB3 ASP 19 HB3 ASP 19 -18.911 -16.535 -2.019 48 H ILE 20 H ILE 20 -21.172 -15.567 -2.272 49 HA ILE 20 HA ILE 20 -21.760 -14.725 -4.851 50 HB ILE 20 HB ILE 20 -23.604 -15.522 -2.589 51 HG12 ILE 20 HG12 ILE 20 -22.010 -17.242 -3.380 52 HG13 ILE 20 HG13 ILE 20 -23.679 -17.666 -3.740 53 HG21 ILE 20 HG21 ILE 20 -25.083 -14.387 -3.995 54 HG22 ILE 20 HG22 ILE 20 -25.158 -16.026 -4.633 55 HG23 ILE 20 HG23 ILE 20 -24.184 -14.808 -5.449 56 HD11 ILE 20 HD11 ILE 20 -21.463 -16.901 -5.599 57 HD12 ILE 20 HD12 ILE 20 -23.113 -16.464 -6.059 58 HD13 ILE 20 HD13 ILE 20 -22.697 -18.155 -5.770 59 H LEU 21 H LEU 21 -22.729 -13.208 -1.770 60 HA LEU 21 HA LEU 21 -24.140 -11.048 -2.915 61 HB2 LEU 21 HB2 LEU 21 -22.855 -11.478 -0.251 62 HB3 LEU 21 HB3 LEU 21 -23.416 -9.869 -0.695 63 HG LEU 21 HG LEU 21 -25.662 -10.880 -1.225 64 HD11 LEU 21 HD11 LEU 21 -24.662 -13.294 0.295 65 HD12 LEU 21 HD12 LEU 21 -24.766 -13.247 -1.466 66 HD13 LEU 21 HD13 LEU 21 -26.222 -13.079 -0.498 67 HD21 LEU 21 HD21 LEU 21 -26.149 -11.355 1.295 68 HD22 LEU 21 HD22 LEU 21 -25.598 -9.755 0.808 69 HD23 LEU 21 HD23 LEU 21 -24.461 -10.893 1.525 70 H PHE 22 H PHE 22 -20.730 -11.433 -2.073 71 HA PHE 22 HA PHE 22 -19.828 -8.855 -2.574 72 HB2 PHE 22 HB2 PHE 22 -18.451 -10.582 -1.547 73 HB3 PHE 22 HB3 PHE 22 -18.467 -11.527 -3.030 74 HD1 PHE 22 HD1 PHE 22 -17.150 -8.421 -1.448 75 HD2 PHE 22 HD2 PHE 22 -17.101 -10.980 -4.890 76 HE1 PHE 22 HE1 PHE 22 -15.286 -7.108 -2.399 77 HE2 PHE 22 HE2 PHE 22 -15.184 -9.708 -5.801 78 HZ PHE 22 HZ PHE 22 -14.099 -7.965 -4.408 79 H SER 23 H SER 23 -20.223 -11.569 -4.857 80 HA SER 23 HA SER 23 -19.268 -10.197 -7.168 81 HB2 SER 23 HB2 SER 23 -19.384 -12.551 -7.311 82 HB3 SER 23 HB3 SER 23 -21.048 -12.586 -6.728 83 HG SER 23 HG SER 23 -20.947 -11.067 -8.909 84 H LEU 24 H LEU 24 -22.551 -10.704 -5.857 85 HA LEU 24 HA LEU 24 -23.945 -9.211 -7.775 86 HB2 LEU 24 HB2 LEU 24 -24.537 -9.732 -4.854 87 HB3 LEU 24 HB3 LEU 24 -25.671 -8.932 -5.937 88 HG LEU 24 HG LEU 24 -24.491 -11.666 -6.509 89 HD11 LEU 24 HD11 LEU 24 -26.944 -12.332 -5.877 90 HD12 LEU 24 HD12 LEU 24 -26.940 -10.816 -4.979 91 HD13 LEU 24 HD13 LEU 24 -25.766 -12.077 -4.592 92 HD21 LEU 24 HD21 LEU 24 -26.658 -9.952 -7.729 93 HD22 LEU 24 HD22 LEU 24 -26.644 -11.701 -7.954 94 HD23 LEU 24 HD23 LEU 24 -25.290 -10.729 -8.530 95 H ALA 25 H ALA 25 -22.477 -8.212 -4.719 96 HA ALA 25 HA ALA 25 -23.394 -5.585 -4.669 97 HB1 ALA 25 HB1 ALA 25 -22.336 -6.639 -2.744 98 HB2 ALA 25 HB2 ALA 25 -21.497 -5.139 -3.151 99 HB3 ALA 25 HB3 ALA 25 -20.791 -6.692 -3.596 100 H GLU 26 H GLU 26 -20.482 -6.971 -6.154 101 HA GLU 26 HA GLU 26 -19.338 -4.588 -7.020 102 HB2 GLU 26 HB2 GLU 26 -18.206 -6.783 -6.992 103 HB3 GLU 26 HB3 GLU 26 -19.219 -7.312 -8.333 104 HG2 GLU 26 HG2 GLU 26 -18.290 -5.553 -9.765 105 HG3 GLU 26 HG3 GLU 26 -17.319 -4.951 -8.427 106 H ARG 27 H ARG 27 -21.681 -6.685 -8.783 107 HA ARG 27 HA ARG 27 -21.652 -5.146 -11.147 108 HB2 ARG 27 HB2 ARG 27 -22.591 -7.427 -11.014 109 HB3 ARG 27 HB3 ARG 27 -23.930 -6.812 -10.042 110 HG2 ARG 27 HG2 ARG 27 -24.556 -5.283 -11.893 111 HG3 ARG 27 HG3 ARG 27 -23.237 -5.932 -12.868 112 HD2 ARG 27 HD2 ARG 27 -25.299 -7.033 -13.518 113 HD3 ARG 27 HD3 ARG 27 -24.279 -8.195 -12.678 114 HE ARG 27 HE ARG 27 -25.728 -8.088 -10.808 115 HH11 ARG 27 HH11 ARG 27 -26.394 -5.412 -12.877 116 HH12 ARG 27 HH12 ARG 27 -28.097 -5.413 -12.590 117 HH21 ARG 27 HH21 ARG 27 -27.904 -7.862 -10.130 118 HH22 ARG 27 HH22 ARG 27 -28.785 -6.479 -10.674 119 H VAL 28 H VAL 28 -23.873 -5.025 -8.359 120 HA VAL 28 HA VAL 28 -25.457 -2.916 -9.322 121 HB VAL 28 HB VAL 28 -26.166 -4.400 -7.498 122 HG11 VAL 28 HG11 VAL 28 -23.898 -4.508 -6.416 123 HG12 VAL 28 HG12 VAL 28 -25.232 -4.273 -5.289 124 HG13 VAL 28 HG13 VAL 28 -24.201 -2.911 -5.736 125 HG21 VAL 28 HG21 VAL 28 -26.502 -2.221 -5.807 126 HG22 VAL 28 HG22 VAL 28 -27.563 -2.683 -7.138 127 HG23 VAL 28 HG23 VAL 28 -26.303 -1.479 -7.390 128 H PHE 29 H PHE 29 -22.533 -2.984 -7.428 129 HA PHE 29 HA PHE 29 -22.307 -0.555 -6.362 130 HB2 PHE 29 HB2 PHE 29 -20.640 -2.090 -5.926 131 HB3 PHE 29 HB3 PHE 29 -20.310 -2.392 -7.621 132 HD1 PHE 29 HD1 PHE 29 -20.555 0.865 -5.810 133 HD2 PHE 29 HD2 PHE 29 -17.993 -2.158 -7.369 134 HE1 PHE 29 HE1 PHE 29 -18.596 2.403 -5.927 135 HE2 PHE 29 HE2 PHE 29 -16.043 -0.907 -6.559 136 HZ PHE 29 HZ PHE 29 -16.338 1.446 -5.800 137 HA PRO 30 HA PRO 30 -20.737 1.681 -10.409 138 HB2 PRO 30 HB2 PRO 30 -21.179 0.329 -12.763 139 HB3 PRO 30 HB3 PRO 30 -19.643 0.310 -11.876 140 HG2 PRO 30 HG2 PRO 30 -21.848 -1.695 -11.894 141 HG3 PRO 30 HG3 PRO 30 -20.095 -1.951 -11.962 142 HD2 PRO 30 HD2 PRO 30 -21.518 -2.258 -9.656 143 HD3 PRO 30 HD3 PRO 30 -19.839 -1.674 -9.665 144 H TYR 31 H TYR 31 -23.554 -0.440 -10.486 145 HA TYR 31 HA TYR 31 -25.098 1.093 -12.344 146 HB2 TYR 31 HB2 TYR 31 -25.681 -1.104 -10.393 147 HB3 TYR 31 HB3 TYR 31 -27.013 -0.205 -11.106 148 HD1 TYR 31 HD1 TYR 31 -23.766 -0.937 -12.825 149 HD2 TYR 31 HD2 TYR 31 -27.975 -1.750 -12.573 150 HE1 TYR 31 HE1 TYR 31 -23.661 -2.195 -14.947 151 HE2 TYR 31 HE2 TYR 31 -27.835 -3.064 -14.664 152 HH TYR 31 HH TYR 31 -25.624 -2.849 -16.746 153 H SER 32 H SER 32 -24.890 0.971 -8.843 154 HA SER 32 HA SER 32 -25.836 3.646 -8.488 155 HB2 SER 32 HB2 SER 32 -28.038 2.905 -8.753 156 HB3 SER 32 HB3 SER 32 -27.710 1.349 -7.987 157 HG SER 32 HG SER 32 -28.835 3.151 -6.771 158 HA PRO 33 HA PRO 33 -23.191 2.555 -4.950 159 HB2 PRO 33 HB2 PRO 33 -23.948 5.395 -4.330 160 HB3 PRO 33 HB3 PRO 33 -22.356 4.618 -4.268 161 HG2 PRO 33 HG2 PRO 33 -22.963 6.247 -6.246 162 HG3 PRO 33 HG3 PRO 33 -22.051 4.758 -6.556 163 HD2 PRO 33 HD2 PRO 33 -24.950 5.339 -7.086 164 HD3 PRO 33 HD3 PRO 33 -23.790 4.403 -8.059 165 H GLU 34 H GLU 34 -26.309 4.241 -4.885 166 HA GLU 34 HA GLU 34 -26.797 3.798 -2.103 167 HB2 GLU 34 HB2 GLU 34 -28.632 4.509 -4.391 168 HB3 GLU 34 HB3 GLU 34 -29.171 4.378 -2.716 169 HG2 GLU 34 HG2 GLU 34 -27.567 6.105 -2.035 170 HG3 GLU 34 HG3 GLU 34 -26.935 6.194 -3.674 171 H LEU 35 H LEU 35 -27.718 2.027 -5.056 172 HA LEU 35 HA LEU 35 -29.283 0.035 -3.723 173 HB2 LEU 35 HB2 LEU 35 -27.830 0.036 -6.362 174 HB3 LEU 35 HB3 LEU 35 -28.793 -1.326 -5.792 175 HG LEU 35 HG LEU 35 -29.869 1.490 -6.093 176 HD11 LEU 35 HD11 LEU 35 -29.283 -0.464 -8.111 177 HD12 LEU 35 HD12 LEU 35 -30.057 1.108 -8.295 178 HD13 LEU 35 HD13 LEU 35 -31.030 -0.322 -7.959 179 HD21 LEU 35 HD21 LEU 35 -31.417 0.543 -4.698 180 HD22 LEU 35 HD22 LEU 35 -30.952 -1.103 -5.125 181 HD23 LEU 35 HD23 LEU 35 -32.007 -0.176 -6.192 182 H ALA 36 H ALA 36 -25.882 0.370 -4.570 183 HA ALA 36 HA ALA 36 -25.041 -2.253 -3.876 184 HB1 ALA 36 HB1 ALA 36 -23.174 0.064 -3.589 185 HB2 ALA 36 HB2 ALA 36 -23.847 -0.256 -5.187 186 HB3 ALA 36 HB3 ALA 36 -22.914 -1.502 -4.352 187 H LYS 37 H LYS 37 -25.335 0.758 -2.163 188 HA LYS 37 HA LYS 37 -24.051 0.206 0.222 189 HB2 LYS 37 HB2 LYS 37 -25.212 2.332 -0.778 190 HB3 LYS 37 HB3 LYS 37 -26.656 1.724 0.018 191 HG2 LYS 37 HG2 LYS 37 -24.065 2.267 1.472 192 HG3 LYS 37 HG3 LYS 37 -25.357 3.452 1.308 193 HD2 LYS 37 HD2 LYS 37 -26.906 1.903 2.463 194 HD3 LYS 37 HD3 LYS 37 -25.581 0.744 2.656 195 HE2 LYS 37 HE2 LYS 37 -24.297 2.368 3.973 196 HE3 LYS 37 HE3 LYS 37 -25.560 3.584 3.749 197 HZ1 LYS 37 HZ1 LYS 37 -25.446 2.031 5.855 198 HZ2 LYS 37 HZ2 LYS 37 -26.348 0.993 4.847 199 HZ3 LYS 37 HZ3 LYS 37 -26.930 2.557 5.196 200 H ARG 38 H ARG 38 -27.433 -0.407 -0.713 201 HA ARG 38 HA ARG 38 -28.209 -1.590 1.765 202 HB2 ARG 38 HB2 ARG 38 -29.371 -1.668 -1.021 203 HB3 ARG 38 HB3 ARG 38 -30.117 -2.478 0.360 204 HG2 ARG 38 HG2 ARG 38 -30.229 -0.350 1.581 205 HG3 ARG 38 HG3 ARG 38 -29.444 0.482 0.242 206 HD2 ARG 38 HD2 ARG 38 -31.348 -0.123 -1.231 207 HD3 ARG 38 HD3 ARG 38 -32.121 -0.943 0.128 208 HE ARG 38 HE ARG 38 -31.454 1.777 0.743 209 HH11 ARG 38 HH11 ARG 38 -33.710 -0.147 -1.073 210 HH12 ARG 38 HH12 ARG 38 -35.006 0.978 -0.887 211 HH21 ARG 38 HH21 ARG 38 -33.143 3.337 0.712 212 HH22 ARG 38 HH22 ARG 38 -34.761 2.785 0.468 213 H TYR 39 H TYR 39 -27.091 -3.018 -1.338 214 HA TYR 39 HA TYR 39 -27.493 -5.676 -0.549 215 HB2 TYR 39 HB2 TYR 39 -25.627 -4.508 -2.603 216 HB3 TYR 39 HB3 TYR 39 -25.769 -6.240 -2.330 217 HD1 TYR 39 HD1 TYR 39 -28.156 -7.252 -2.363 218 HD2 TYR 39 HD2 TYR 39 -27.129 -3.483 -4.130 219 HE1 TYR 39 HE1 TYR 39 -30.350 -7.178 -3.495 220 HE2 TYR 39 HE2 TYR 39 -29.031 -3.717 -5.667 221 HH TYR 39 HH TYR 39 -30.996 -6.467 -5.792 222 H VAL 40 H VAL 40 -24.541 -3.729 -0.306 223 HA VAL 40 HA VAL 40 -22.918 -5.805 0.742 224 HB VAL 40 HB VAL 40 -22.666 -2.808 0.807 225 HG11 VAL 40 HG11 VAL 40 -20.258 -3.313 1.490 226 HG12 VAL 40 HG12 VAL 40 -20.761 -4.978 1.774 227 HG13 VAL 40 HG13 VAL 40 -21.439 -3.675 2.748 228 HG21 VAL 40 HG21 VAL 40 -21.561 -5.039 -0.867 229 HG22 VAL 40 HG22 VAL 40 -20.689 -3.517 -0.731 230 HG23 VAL 40 HG23 VAL 40 -22.319 -3.540 -1.391 231 H GLU 41 H GLU 41 -25.039 -3.425 2.232 232 HA GLU 41 HA GLU 41 -23.905 -3.522 4.863 233 HB2 GLU 41 HB2 GLU 41 -25.257 -1.632 3.956 234 HB3 GLU 41 HB3 GLU 41 -26.667 -2.688 3.904 235 HG2 GLU 41 HG2 GLU 41 -26.508 -2.986 6.361 236 HG3 GLU 41 HG3 GLU 41 -25.100 -1.929 6.389 237 H LEU 42 H LEU 42 -26.618 -4.995 3.178 238 HA LEU 42 HA LEU 42 -27.333 -6.998 4.949 239 HB2 LEU 42 HB2 LEU 42 -28.528 -6.553 2.935 240 HB3 LEU 42 HB3 LEU 42 -27.117 -6.876 1.942 241 HG LEU 42 HG LEU 42 -27.186 -9.251 2.635 242 HD11 LEU 42 HD11 LEU 42 -28.535 -8.619 4.817 243 HD12 LEU 42 HD12 LEU 42 -28.798 -10.167 4.020 244 HD13 LEU 42 HD13 LEU 42 -29.933 -8.841 3.765 245 HD21 LEU 42 HD21 LEU 42 -29.376 -9.754 1.413 246 HD22 LEU 42 HD22 LEU 42 -28.252 -8.688 0.573 247 HD23 LEU 42 HD23 LEU 42 -29.653 -8.013 1.403 248 H ALA 43 H ALA 43 -24.653 -7.162 2.495 249 HA ALA 43 HA ALA 43 -23.833 -9.709 3.215 250 HB1 ALA 43 HB1 ALA 43 -22.946 -8.745 1.225 251 HB2 ALA 43 HB2 ALA 43 -21.573 -9.015 2.303 252 HB3 ALA 43 HB3 ALA 43 -22.237 -7.394 2.107 253 H LEU 44 H LEU 44 -22.747 -6.622 4.611 254 HA LEU 44 HA LEU 44 -20.958 -7.718 6.502 255 HB2 LEU 44 HB2 LEU 44 -22.393 -5.120 6.197 256 HB3 LEU 44 HB3 LEU 44 -21.589 -5.476 7.725 257 HG LEU 44 HG LEU 44 -19.469 -5.847 6.578 258 HD11 LEU 44 HD11 LEU 44 -20.055 -6.769 4.463 259 HD12 LEU 44 HD12 LEU 44 -19.377 -5.191 4.081 260 HD13 LEU 44 HD13 LEU 44 -21.121 -5.416 4.087 261 HD21 LEU 44 HD21 LEU 44 -20.648 -3.421 6.968 262 HD22 LEU 44 HD22 LEU 44 -20.266 -3.327 5.251 263 HD23 LEU 44 HD23 LEU 44 -18.990 -3.629 6.422 264 H LEU 45 H LEU 45 -24.411 -6.899 6.754 265 HA LEU 45 HA LEU 45 -24.810 -7.766 9.367 266 HB2 LEU 45 HB2 LEU 45 -26.481 -6.496 8.109 267 HB3 LEU 45 HB3 LEU 45 -26.743 -7.875 7.045 268 HG LEU 45 HG LEU 45 -27.539 -9.223 8.934 269 HD11 LEU 45 HD11 LEU 45 -26.561 -6.862 10.485 270 HD12 LEU 45 HD12 LEU 45 -26.510 -8.578 10.894 271 HD13 LEU 45 HD13 LEU 45 -28.007 -7.667 11.071 272 HD21 LEU 45 HD21 LEU 45 -28.869 -6.497 8.873 273 HD22 LEU 45 HD22 LEU 45 -29.617 -8.009 9.386 274 HD23 LEU 45 HD23 LEU 45 -29.145 -7.785 7.704 275 H VAL 46 H VAL 46 -25.005 -9.587 6.320 276 HA VAL 46 HA VAL 46 -25.526 -12.117 7.390 277 HB VAL 46 HB VAL 46 -24.021 -11.270 4.908 278 HG11 VAL 46 HG11 VAL 46 -24.407 -13.622 4.148 279 HG12 VAL 46 HG12 VAL 46 -24.891 -14.038 5.794 280 HG13 VAL 46 HG13 VAL 46 -23.246 -13.500 5.468 281 HG21 VAL 46 HG21 VAL 46 -26.687 -12.642 4.974 282 HG22 VAL 46 HG22 VAL 46 -26.044 -11.481 3.809 283 HG23 VAL 46 HG23 VAL 46 -26.613 -10.931 5.388 284 H GLN 47 H GLN 47 -22.421 -10.462 6.792 285 HA GLN 47 HA GLN 47 -20.727 -12.568 7.407 286 HB2 GLN 47 HB2 GLN 47 -20.029 -10.419 6.393 287 HB3 GLN 47 HB3 GLN 47 -20.327 -9.606 7.924 288 HG2 GLN 47 HG2 GLN 47 -18.598 -11.013 9.001 289 HG3 GLN 47 HG3 GLN 47 -18.283 -11.791 7.452 290 HE21 GLN 47 HE21 GLN 47 -16.352 -10.895 6.626 291 HE22 GLN 47 HE22 GLN 47 -16.116 -9.229 6.427 292 H GLN 48 H GLN 48 -21.864 -9.990 9.660 293 HA GLN 48 HA GLN 48 -20.706 -11.147 11.931 294 HB2 GLN 48 HB2 GLN 48 -22.157 -9.715 13.248 295 HB3 GLN 48 HB3 GLN 48 -21.493 -8.837 11.875 296 HG2 GLN 48 HG2 GLN 48 -23.610 -9.199 10.645 297 HG3 GLN 48 HG3 GLN 48 -24.276 -10.034 12.051 298 HE21 GLN 48 HE21 GLN 48 -25.241 -8.764 13.644 299 HE22 GLN 48 HE22 GLN 48 -25.463 -7.103 13.404 300 H LYS 49 H LYS 49 -23.984 -11.620 10.614 301 HA LYS 49 HA LYS 49 -24.868 -13.393 12.610 302 HB2 LYS 49 HB2 LYS 49 -25.626 -13.231 9.681 303 HB3 LYS 49 HB3 LYS 49 -26.480 -14.195 10.878 304 HG2 LYS 49 HG2 LYS 49 -26.114 -11.189 11.047 305 HG3 LYS 49 HG3 LYS 49 -27.557 -11.994 10.438 306 HD2 LYS 49 HD2 LYS 49 -27.870 -13.081 12.638 307 HD3 LYS 49 HD3 LYS 49 -26.416 -12.283 13.241 308 HE2 LYS 49 HE2 LYS 49 -27.461 -10.077 12.838 309 HE3 LYS 49 HE3 LYS 49 -28.904 -10.879 12.216 310 HZ1 LYS 49 HZ1 LYS 49 -27.937 -10.648 14.956 311 HZ2 LYS 49 HZ2 LYS 49 -28.706 -12.100 14.527 312 HZ3 LYS 49 HZ3 LYS 49 -29.525 -10.622 14.356 313 H ALA 50 H ALA 50 -23.254 -14.049 9.516 314 HA ALA 50 HA ALA 50 -23.010 -16.856 9.957 315 HB1 ALA 50 HB1 ALA 50 -21.233 -15.145 8.207 316 HB2 ALA 50 HB2 ALA 50 -22.862 -15.631 7.734 317 HB3 ALA 50 HB3 ALA 50 -21.623 -16.851 8.010 318 H LYS 51 H LYS 51 -21.418 -14.199 11.323 319 HA LYS 51 HA LYS 51 -19.477 -13.891 12.475 320 HB2 LYS 51 HB2 LYS 51 -20.982 -15.565 13.789 321 HB3 LYS 51 HB3 LYS 51 -19.724 -16.737 13.388 322 HG2 LYS 51 HG2 LYS 51 -18.014 -15.311 14.405 323 HG3 LYS 51 HG3 LYS 51 -19.209 -14.047 14.699 324 HD2 LYS 51 HD2 LYS 51 -20.439 -15.539 16.220 325 HD3 LYS 51 HD3 LYS 51 -19.261 -16.821 15.922 326 HE2 LYS 51 HE2 LYS 51 -17.472 -15.382 16.849 327 HE3 LYS 51 HE3 LYS 51 -18.647 -14.095 17.119 328 HZ1 LYS 51 HZ1 LYS 51 -19.764 -16.272 18.305 329 HZ2 LYS 51 HZ2 LYS 51 -18.943 -15.012 19.096 330 HZ3 LYS 51 HZ3 LYS 51 -18.116 -16.430 18.671 331 H VAL 52 H VAL 52 -18.397 -13.953 10.229 332 HA VAL 52 HA VAL 52 -16.219 -15.952 10.400 333 HB VAL 52 HB VAL 52 -16.096 -15.957 7.932 334 HG11 VAL 52 HG11 VAL 52 -17.698 -17.593 7.667 335 HG12 VAL 52 HG12 VAL 52 -18.942 -16.674 8.520 336 HG13 VAL 52 HG13 VAL 52 -17.672 -17.500 9.425 337 HG21 VAL 52 HG21 VAL 52 -17.136 -13.761 7.520 338 HG22 VAL 52 HG22 VAL 52 -18.685 -14.376 8.092 339 HG23 VAL 52 HG23 VAL 52 -17.970 -15.028 6.624 340 H LYS 53 H LYS 53 -14.221 -15.245 9.476 341 HA LYS 53 HA LYS 53 -13.900 -12.299 9.535 342 HB2 LYS 53 HB2 LYS 53 -12.916 -13.446 11.498 343 HB3 LYS 53 HB3 LYS 53 -11.934 -14.431 10.415 344 HG2 LYS 53 HG2 LYS 53 -10.798 -12.403 9.585 345 HG3 LYS 53 HG3 LYS 53 -11.828 -11.401 10.614 346 HD2 LYS 53 HD2 LYS 53 -10.941 -12.547 12.615 347 HD3 LYS 53 HD3 LYS 53 -9.907 -13.543 11.592 348 HE2 LYS 53 HE2 LYS 53 -8.749 -11.501 10.797 349 HE3 LYS 53 HE3 LYS 53 -9.797 -10.513 11.816 350 HZ1 LYS 53 HZ1 LYS 53 -8.196 -10.787 13.322 351 HZ2 LYS 53 HZ2 LYS 53 -7.533 -12.148 12.548 352 HZ3 LYS 53 HZ3 LYS 53 -8.885 -12.322 13.565 353 H ILE 54 H ILE 54 -13.417 -11.527 7.626 354 HA ILE 54 HA ILE 54 -11.522 -13.005 5.893 355 HB ILE 54 HB ILE 54 -12.799 -11.505 4.099 356 HG12 ILE 54 HG12 ILE 54 -14.935 -12.072 6.170 357 HG13 ILE 54 HG13 ILE 54 -14.268 -10.478 5.832 358 HG21 ILE 54 HG21 ILE 54 -14.352 -13.514 3.775 359 HG22 ILE 54 HG22 ILE 54 -13.659 -14.165 5.261 360 HG23 ILE 54 HG23 ILE 54 -12.629 -13.884 3.855 361 HD11 ILE 54 HD11 ILE 54 -15.031 -10.712 3.461 362 HD12 ILE 54 HD12 ILE 54 -16.360 -10.743 4.613 363 HD13 ILE 54 HD13 ILE 54 -15.788 -12.243 3.894 364 HA PRO 55 HA PRO 55 -9.319 -9.280 7.196 365 HB2 PRO 55 HB2 PRO 55 -7.268 -10.463 5.357 366 HB3 PRO 55 HB3 PRO 55 -7.070 -9.810 6.996 367 HG2 PRO 55 HG2 PRO 55 -7.124 -12.439 6.526 368 HG3 PRO 55 HG3 PRO 55 -7.845 -11.742 7.987 369 HD2 PRO 55 HD2 PRO 55 -9.177 -12.848 5.560 370 HD3 PRO 55 HD3 PRO 55 -9.748 -12.802 7.243 371 H ARG 56 H ARG 56 -9.392 -10.395 3.837 372 HA ARG 56 HA ARG 56 -9.038 -7.628 2.940 373 HB2 ARG 56 HB2 ARG 56 -8.419 -10.263 1.631 374 HB3 ARG 56 HB3 ARG 56 -8.365 -8.723 0.763 375 HG2 ARG 56 HG2 ARG 56 -6.806 -7.819 2.450 376 HG3 ARG 56 HG3 ARG 56 -6.874 -9.333 3.339 377 HD2 ARG 56 HD2 ARG 56 -5.868 -10.513 1.415 378 HD3 ARG 56 HD3 ARG 56 -5.800 -8.989 0.529 379 HE ARG 56 HE ARG 56 -4.547 -8.788 3.093 380 HH11 ARG 56 HH11 ARG 56 -4.072 -9.969 -0.139 381 HH12 ARG 56 HH12 ARG 56 -2.350 -9.888 -0.044 382 HH21 ARG 56 HH21 ARG 56 -2.278 -8.975 3.248 383 HH22 ARG 56 HH22 ARG 56 -1.350 -9.006 1.789 384 H LYS 57 H LYS 57 -11.327 -10.326 2.495 385 HA LYS 57 HA LYS 57 -12.106 -9.490 -0.025 386 HB2 LYS 57 HB2 LYS 57 -13.610 -11.176 1.969 387 HB3 LYS 57 HB3 LYS 57 -14.163 -10.925 0.321 388 HG2 LYS 57 HG2 LYS 57 -12.053 -11.893 -0.536 389 HG3 LYS 57 HG3 LYS 57 -11.513 -12.154 1.123 390 HD2 LYS 57 HD2 LYS 57 -13.458 -13.608 1.532 391 HD3 LYS 57 HD3 LYS 57 -14.023 -13.339 -0.114 392 HE2 LYS 57 HE2 LYS 57 -11.964 -14.358 -0.999 393 HE3 LYS 57 HE3 LYS 57 -11.392 -14.650 0.645 394 HZ1 LYS 57 HZ1 LYS 57 -13.718 -15.790 0.856 395 HZ2 LYS 57 HZ2 LYS 57 -12.385 -16.621 0.209 396 HZ3 LYS 57 HZ3 LYS 57 -13.554 -15.953 -0.828 397 H TRP 58 H TRP 58 -13.793 -8.770 3.067 398 HA TRP 58 HA TRP 58 -15.338 -6.768 1.535 399 HB2 TRP 58 HB2 TRP 58 -16.066 -8.573 3.732 400 HB3 TRP 58 HB3 TRP 58 -16.573 -6.903 3.990 401 HD1 TRP 58 HD1 TRP 58 -17.683 -9.965 2.307 402 HE1 TRP 58 HE1 TRP 58 -19.498 -9.454 0.545 403 HE3 TRP 58 HE3 TRP 58 -16.868 -4.999 1.728 404 HZ2 TRP 58 HZ2 TRP 58 -20.217 -7.178 -1.153 405 HZ3 TRP 58 HZ3 TRP 58 -17.682 -3.860 -0.300 406 HH2 TRP 58 HH2 TRP 58 -19.282 -4.983 -1.807 407 H LYS 59 H LYS 59 -13.234 -7.245 4.282 408 HA LYS 59 HA LYS 59 -13.674 -4.767 5.511 409 HB2 LYS 59 HB2 LYS 59 -11.366 -6.695 5.636 410 HB3 LYS 59 HB3 LYS 59 -11.460 -5.245 6.645 411 HG2 LYS 59 HG2 LYS 59 -13.636 -6.004 7.531 412 HG3 LYS 59 HG3 LYS 59 -13.565 -7.445 6.519 413 HD2 LYS 59 HD2 LYS 59 -11.514 -8.166 7.704 414 HD3 LYS 59 HD3 LYS 59 -11.607 -6.725 8.716 415 HE2 LYS 59 HE2 LYS 59 -13.799 -7.438 9.568 416 HE3 LYS 59 HE3 LYS 59 -13.754 -8.868 8.539 417 HZ1 LYS 59 HZ1 LYS 59 -11.680 -9.502 9.695 418 HZ2 LYS 59 HZ2 LYS 59 -13.031 -9.459 10.721 419 HZ3 LYS 59 HZ3 LYS 59 -11.899 -8.195 10.754 420 H ARG 60 H ARG 60 -11.453 -5.708 2.970 421 HA ARG 60 HA ARG 60 -10.132 -3.086 3.075 422 HB2 ARG 60 HB2 ARG 60 -9.398 -5.659 1.659 423 HB3 ARG 60 HB3 ARG 60 -8.457 -4.169 1.567 424 HG2 ARG 60 HG2 ARG 60 -9.164 -5.567 4.167 425 HG3 ARG 60 HG3 ARG 60 -7.640 -5.801 3.315 426 HD2 ARG 60 HD2 ARG 60 -7.102 -3.437 3.536 427 HD3 ARG 60 HD3 ARG 60 -8.662 -3.100 4.280 428 HE ARG 60 HE ARG 60 -6.507 -4.689 5.512 429 HH11 ARG 60 HH11 ARG 60 -9.803 -3.585 5.704 430 HH12 ARG 60 HH12 ARG 60 -9.665 -3.071 7.347 431 HH21 ARG 60 HH21 ARG 60 -6.526 -4.432 7.824 432 HH22 ARG 60 HH22 ARG 60 -8.104 -4.420 8.532 433 H ARG 61 H ARG 61 -12.759 -4.317 1.626 434 HA ARG 61 HA ARG 61 -12.282 -2.885 -0.903 435 HB2 ARG 61 HB2 ARG 61 -13.934 -5.351 -0.397 436 HB3 ARG 61 HB3 ARG 61 -14.036 -4.398 -1.880 437 HG2 ARG 61 HG2 ARG 61 -11.620 -4.685 -2.249 438 HG3 ARG 61 HG3 ARG 61 -11.497 -5.631 -0.768 439 HD2 ARG 61 HD2 ARG 61 -13.040 -7.314 -1.705 440 HD3 ARG 61 HD3 ARG 61 -13.156 -6.383 -3.196 441 HE ARG 61 HE ARG 61 -10.794 -7.851 -2.243 442 HH11 ARG 61 HH11 ARG 61 -11.937 -5.398 -4.378 443 HH12 ARG 61 HH12 ARG 61 -10.793 -5.762 -5.621 444 HH21 ARG 61 HH21 ARG 61 -9.150 -8.136 -3.838 445 HH22 ARG 61 HH22 ARG 61 -9.508 -7.641 -5.456 446 H TYR 62 H TYR 62 -13.467 -1.782 1.701 447 HA TYR 62 HA TYR 62 -15.951 -0.783 0.515 448 HB2 TYR 62 HB2 TYR 62 -17.423 -1.580 2.111 449 HB3 TYR 62 HB3 TYR 62 -16.338 -2.953 1.936 450 HD1 TYR 62 HD1 TYR 62 -14.098 -2.642 3.522 451 HD2 TYR 62 HD2 TYR 62 -18.148 -1.719 4.318 452 HE1 TYR 62 HE1 TYR 62 -13.520 -2.022 5.842 453 HE2 TYR 62 HE2 TYR 62 -17.637 -1.371 6.724 454 HH TYR 62 HH TYR 62 -15.436 -2.860 8.118 455 H CYS 63 H CYS 63 -16.913 0.950 1.739 456 HA CYS 63 HA CYS 63 -14.919 2.674 2.997 457 HB2 CYS 63 HB2 CYS 63 -16.292 3.919 1.558 458 HB3 CYS 63 HB3 CYS 63 -17.742 3.065 2.047 459 H LYS 64 H LYS 64 -15.156 3.528 5.046 460 HA LYS 64 HA LYS 64 -15.899 1.805 7.101 461 HB2 LYS 64 HB2 LYS 64 -15.520 4.816 7.072 462 HB3 LYS 64 HB3 LYS 64 -15.654 3.857 8.544 463 HG2 LYS 64 HG2 LYS 64 -13.662 2.559 7.897 464 HG3 LYS 64 HG3 LYS 64 -13.534 3.492 6.404 465 HD2 LYS 64 HD2 LYS 64 -13.252 5.564 7.721 466 HD3 LYS 64 HD3 LYS 64 -13.392 4.634 9.211 467 HE2 LYS 64 HE2 LYS 64 -11.369 3.353 8.611 468 HE3 LYS 64 HE3 LYS 64 -11.238 4.260 7.100 469 HZ1 LYS 64 HZ1 LYS 64 -10.867 5.205 9.870 470 HZ2 LYS 64 HZ2 LYS 64 -11.258 6.298 8.625 471 HZ3 LYS 64 HZ3 LYS 64 -9.830 5.375 8.533 472 H LYS 65 H LYS 65 -17.628 4.559 5.667 473 HA LYS 65 HA LYS 65 -20.038 3.798 7.168 474 HB2 LYS 65 HB2 LYS 65 -19.363 6.105 7.523 475 HB3 LYS 65 HB3 LYS 65 -19.478 6.422 5.789 476 HG2 LYS 65 HG2 LYS 65 -21.877 5.797 5.848 477 HG3 LYS 65 HG3 LYS 65 -21.741 5.420 7.563 478 HD2 LYS 65 HD2 LYS 65 -21.181 7.773 8.026 479 HD3 LYS 65 HD3 LYS 65 -21.315 8.150 6.306 480 HE2 LYS 65 HE2 LYS 65 -23.689 7.408 6.349 481 HE3 LYS 65 HE3 LYS 65 -23.533 7.049 8.069 482 HZ1 LYS 65 HZ1 LYS 65 -24.196 9.472 6.928 483 HZ2 LYS 65 HZ2 LYS 65 -22.623 9.668 7.546 484 HZ3 LYS 65 HZ3 LYS 65 -23.880 9.155 8.568 485 H CYS 66 H CYS 66 -18.912 3.390 3.892 486 HA CYS 66 HA CYS 66 -21.571 3.993 2.805 487 HB2 CYS 66 HB2 CYS 66 -19.487 2.293 1.440 488 HB3 CYS 66 HB3 CYS 66 -20.998 2.862 0.782 489 H HIS 67 H HIS 67 -19.722 1.377 4.231 490 HA HIS 67 HA HIS 67 -20.142 -0.856 4.511 491 HB2 HIS 67 HB2 HIS 67 -23.020 0.094 4.238 492 HB3 HIS 67 HB3 HIS 67 -22.530 -1.496 4.797 493 HD1 HIS 67 HD1 HIS 67 -22.178 2.184 5.726 494 HD2 HIS 67 HD2 HIS 67 -21.585 -1.562 7.482 495 HE1 HIS 67 HE1 HIS 67 -22.210 2.517 8.258 496 HE2 HIS 67 HE2 HIS 67 -21.123 0.414 9.171 497 H ALA 68 H ALA 68 -19.656 0.336 1.975 498 HA ALA 68 HA ALA 68 -20.973 -1.465 0.064 499 HB1 ALA 68 HB1 ALA 68 -20.508 1.455 -0.544 500 HB2 ALA 68 HB2 ALA 68 -22.039 0.818 0.069 501 HB3 ALA 68 HB3 ALA 68 -21.410 0.272 -1.488 502 H PHE 69 H PHE 69 -19.824 -1.477 -2.074 503 HA PHE 69 HA PHE 69 -17.146 -2.334 -1.615 504 HB2 PHE 69 HB2 PHE 69 -18.916 -2.980 -3.472 505 HB3 PHE 69 HB3 PHE 69 -18.189 -1.640 -4.347 506 HD1 PHE 69 HD1 PHE 69 -15.542 -1.627 -4.418 507 HD2 PHE 69 HD2 PHE 69 -17.994 -5.092 -3.776 508 HE1 PHE 69 HE1 PHE 69 -13.617 -3.139 -4.915 509 HE2 PHE 69 HE2 PHE 69 -16.451 -6.351 -5.256 510 HZ PHE 69 HZ PHE 69 -14.210 -5.419 -5.781 511 H LEU 70 H LEU 70 -15.248 -1.206 -1.806 512 HA LEU 70 HA LEU 70 -15.475 1.670 -2.441 513 HB2 LEU 70 HB2 LEU 70 -14.562 0.666 -0.228 514 HB3 LEU 70 HB3 LEU 70 -13.136 0.249 -1.155 515 HG LEU 70 HG LEU 70 -12.546 2.284 -0.217 516 HD11 LEU 70 HD11 LEU 70 -13.852 3.263 -2.764 517 HD12 LEU 70 HD12 LEU 70 -12.318 2.391 -2.726 518 HD13 LEU 70 HD13 LEU 70 -12.466 3.958 -1.937 519 HD21 LEU 70 HD21 LEU 70 -15.040 2.587 0.509 520 HD22 LEU 70 HD22 LEU 70 -15.124 3.647 -0.902 521 HD23 LEU 70 HD23 LEU 70 -13.978 3.990 0.400 522 H VAL 71 H VAL 71 -15.174 1.876 -4.564 523 HA VAL 71 HA VAL 71 -12.419 1.515 -5.452 524 HB VAL 71 HB VAL 71 -14.868 0.924 -7.146 525 HG11 VAL 71 HG11 VAL 71 -13.294 0.555 -9.003 526 HG12 VAL 71 HG12 VAL 71 -11.969 1.132 -7.990 527 HG13 VAL 71 HG13 VAL 71 -13.268 2.230 -8.462 528 HG21 VAL 71 HG21 VAL 71 -13.936 -1.288 -7.371 529 HG22 VAL 71 HG22 VAL 71 -13.953 -0.897 -5.653 530 HG23 VAL 71 HG23 VAL 71 -12.447 -0.799 -6.560 531 HA PRO 72 HA PRO 72 -13.238 5.916 -6.069 532 HB2 PRO 72 HB2 PRO 72 -10.939 5.899 -7.943 533 HB3 PRO 72 HB3 PRO 72 -11.211 6.862 -6.480 534 HG2 PRO 72 HG2 PRO 72 -9.441 4.856 -6.571 535 HG3 PRO 72 HG3 PRO 72 -10.346 5.264 -5.106 536 HD2 PRO 72 HD2 PRO 72 -10.792 2.996 -7.029 537 HD3 PRO 72 HD3 PRO 72 -10.981 3.034 -5.262 538 H GLY 73 H GLY 73 -14.447 7.004 -7.487 539 HA2 GLY 73 HA2 GLY 73 -14.926 7.836 -9.686 540 HA3 GLY 73 HA3 GLY 73 -14.444 6.282 -10.341 541 H ILE 74 H ILE 74 -16.230 5.271 -7.786 542 HA ILE 74 HA ILE 74 -18.509 4.983 -9.646 543 HB ILE 74 HB ILE 74 -17.359 2.910 -7.768 544 HG12 ILE 74 HG12 ILE 74 -17.715 2.855 -10.778 545 HG13 ILE 74 HG13 ILE 74 -16.212 3.345 -10.000 546 HG21 ILE 74 HG21 ILE 74 -19.711 2.597 -7.687 547 HG22 ILE 74 HG22 ILE 74 -19.196 1.517 -8.979 548 HG23 ILE 74 HG23 ILE 74 -19.913 3.086 -9.362 549 HD11 ILE 74 HD11 ILE 74 -17.331 0.787 -9.030 550 HD12 ILE 74 HD12 ILE 74 -15.665 1.222 -9.417 551 HD13 ILE 74 HD13 ILE 74 -16.782 0.785 -10.709 552 H ASN 75 H ASN 75 -18.019 4.097 -6.214 553 HA ASN 75 HA ASN 75 -20.526 5.510 -5.557 554 HB2 ASN 75 HB2 ASN 75 -20.547 4.258 -3.493 555 HB3 ASN 75 HB3 ASN 75 -20.389 3.135 -4.837 556 HD21 ASN 75 HD21 ASN 75 -19.557 2.740 -2.000 557 HD22 ASN 75 HD22 ASN 75 -18.041 2.031 -2.279 558 H ALA 76 H ALA 76 -17.380 6.069 -5.777 559 HA ALA 76 HA ALA 76 -17.232 8.105 -3.791 560 HB1 ALA 76 HB1 ALA 76 -15.530 7.210 -2.372 561 HB2 ALA 76 HB2 ALA 76 -15.242 5.849 -3.448 562 HB3 ALA 76 HB3 ALA 76 -16.733 5.928 -2.512 563 H ARG 77 H ARG 77 -15.449 9.472 -4.193 564 HA ARG 77 HA ARG 77 -13.975 8.803 -6.662 565 HB2 ARG 77 HB2 ARG 77 -15.896 10.257 -7.175 566 HB3 ARG 77 HB3 ARG 77 -15.276 11.463 -6.045 567 HG2 ARG 77 HG2 ARG 77 -13.199 11.638 -7.353 568 HG3 ARG 77 HG3 ARG 77 -13.776 10.392 -8.457 569 HD2 ARG 77 HD2 ARG 77 -15.741 11.892 -8.981 570 HD3 ARG 77 HD3 ARG 77 -14.957 13.148 -8.014 571 HE ARG 77 HE ARG 77 -13.135 12.125 -9.911 572 HH11 ARG 77 HH11 ARG 77 -16.139 13.923 -9.890 573 HH12 ARG 77 HH12 ARG 77 -15.520 15.123 -10.961 574 HH21 ARG 77 HH21 ARG 77 -13.341 12.573 -12.136 575 HH22 ARG 77 HH22 ARG 77 -14.135 14.034 -12.611 576 H VAL 78 H VAL 78 -11.917 9.746 -6.886 577 HA VAL 78 HA VAL 78 -10.818 10.729 -4.338 578 HB VAL 78 HB VAL 78 -10.391 8.276 -4.703 579 HG11 VAL 78 HG11 VAL 78 -8.829 7.566 -6.361 580 HG12 VAL 78 HG12 VAL 78 -8.442 9.226 -6.815 581 HG13 VAL 78 HG13 VAL 78 -10.023 8.553 -7.208 582 HG21 VAL 78 HG21 VAL 78 -7.727 9.602 -4.770 583 HG22 VAL 78 HG22 VAL 78 -8.376 8.451 -3.608 584 HG23 VAL 78 HG23 VAL 78 -8.845 10.147 -3.522 585 H ARG 79 H ARG 79 -9.605 12.382 -4.480 586 HA ARG 79 HA ARG 79 -8.502 13.273 -7.071 587 HB2 ARG 79 HB2 ARG 79 -9.436 14.723 -4.610 588 HB3 ARG 79 HB3 ARG 79 -8.158 15.439 -5.574 589 HG2 ARG 79 HG2 ARG 79 -10.768 14.519 -6.801 590 HG3 ARG 79 HG3 ARG 79 -10.563 16.135 -6.127 591 HD2 ARG 79 HD2 ARG 79 -8.556 16.445 -7.588 592 HD3 ARG 79 HD3 ARG 79 -8.895 14.890 -8.334 593 HE ARG 79 HE ARG 79 -10.756 17.180 -8.449 594 HH11 ARG 79 HH11 ARG 79 -9.284 14.355 -9.917 595 HH12 ARG 79 HH12 ARG 79 -10.320 14.411 -11.295 596 HH21 ARG 79 HH21 ARG 79 -11.643 17.501 -10.531 597 HH22 ARG 79 HH22 ARG 79 -10.891 16.652 -11.821 598 H LEU 80 H LEU 80 -6.357 13.515 -7.267 599 HA LEU 80 HA LEU 80 -4.684 12.591 -4.998 600 HB2 LEU 80 HB2 LEU 80 -4.122 12.447 -7.982 601 HB3 LEU 80 HB3 LEU 80 -3.137 11.763 -6.694 602 HG LEU 80 HG LEU 80 -5.457 10.552 -6.084 603 HD11 LEU 80 HD11 LEU 80 -6.961 10.315 -7.807 604 HD12 LEU 80 HD12 LEU 80 -5.714 10.418 -9.047 605 HD13 LEU 80 HD13 LEU 80 -6.312 11.884 -8.274 606 HD21 LEU 80 HD21 LEU 80 -4.673 8.767 -7.901 607 HD22 LEU 80 HD22 LEU 80 -3.722 9.077 -6.453 608 HD23 LEU 80 HD23 LEU 80 -3.268 9.826 -7.985 609 H ARG 81 H ARG 81 -3.306 14.122 -4.219 610 HA ARG 81 HA ARG 81 -2.995 16.589 -5.830 611 HB2 ARG 81 HB2 ARG 81 -3.021 16.260 -2.825 612 HB3 ARG 81 HB3 ARG 81 -2.670 17.765 -3.673 613 HG2 ARG 81 HG2 ARG 81 -4.900 17.701 -4.717 614 HG3 ARG 81 HG3 ARG 81 -5.242 16.169 -3.922 615 HD2 ARG 81 HD2 ARG 81 -6.283 17.946 -2.648 616 HD3 ARG 81 HD3 ARG 81 -4.942 17.294 -1.712 617 HE ARG 81 HE ARG 81 -3.704 19.266 -2.162 618 HH11 ARG 81 HH11 ARG 81 -6.447 19.113 -4.230 619 HH12 ARG 81 HH12 ARG 81 -6.599 20.820 -4.415 620 HH21 ARG 81 HH21 ARG 81 -4.146 21.676 -2.237 621 HH22 ARG 81 HH22 ARG 81 -4.543 21.978 -3.890 622 H GLN 82 H GLN 82 -0.979 17.333 -6.250 623 HA GLN 82 HA GLN 82 1.223 15.631 -5.306 624 HB2 GLN 82 HB2 GLN 82 0.969 17.426 -7.721 625 HB3 GLN 82 HB3 GLN 82 2.462 16.615 -7.247 626 HG2 GLN 82 HG2 GLN 82 1.338 14.429 -7.386 627 HG3 GLN 82 HG3 GLN 82 -0.182 15.219 -7.784 628 HE21 GLN 82 HE21 GLN 82 0.406 13.491 -9.691 629 HE22 GLN 82 HE22 GLN 82 1.082 14.236 -11.055 630 H LYS 83 H LYS 83 1.964 16.306 -3.604 631 HA LYS 83 HA LYS 83 3.320 18.922 -3.373 632 HB2 LYS 83 HB2 LYS 83 1.797 17.360 -1.242 633 HB3 LYS 83 HB3 LYS 83 2.826 18.752 -0.908 634 HG2 LYS 83 HG2 LYS 83 1.406 20.161 -2.350 635 HG3 LYS 83 HG3 LYS 83 0.388 18.768 -2.719 636 HD2 LYS 83 HD2 LYS 83 -0.193 18.548 -0.336 637 HD3 LYS 83 HD3 LYS 83 0.813 19.946 0.044 638 HE2 LYS 83 HE2 LYS 83 -0.613 21.363 -1.407 639 HE3 LYS 83 HE3 LYS 83 -1.605 19.954 -1.793 640 HZ1 LYS 83 HZ1 LYS 83 -2.747 20.938 -0.073 641 HZ2 LYS 83 HZ2 LYS 83 -1.338 21.370 0.777 642 HZ3 LYS 83 HZ3 LYS 83 -1.843 19.745 0.731 643 H ARG 84 H ARG 84 5.219 18.388 -1.485 644 HA ARG 84 HA ARG 84 6.316 15.729 -2.305 645 HB2 ARG 84 HB2 ARG 84 7.334 17.976 -0.504 646 HB3 ARG 84 HB3 ARG 84 8.204 16.484 -0.836 647 HG2 ARG 84 HG2 ARG 84 8.414 17.081 -3.195 648 HG3 ARG 84 HG3 ARG 84 7.455 18.542 -2.936 649 HD2 ARG 84 HD2 ARG 84 9.131 19.323 -1.276 650 HD3 ARG 84 HD3 ARG 84 10.104 17.888 -1.609 651 HE ARG 84 HE ARG 84 9.690 19.077 -4.058 652 HH11 ARG 84 HH11 ARG 84 10.865 20.207 -1.000 653 HH12 ARG 84 HH12 ARG 84 12.186 21.095 -1.671 654 HH21 ARG 84 HH21 ARG 84 11.093 20.651 -4.937 655 HH22 ARG 84 HH22 ARG 84 11.950 21.688 -3.854 656 H MET 85 H MET 85 3.846 15.875 -1.042 657 HA MET 85 HA MET 85 4.576 13.662 0.670 658 HB2 MET 85 HB2 MET 85 3.609 15.941 1.873 659 HB3 MET 85 HB3 MET 85 2.102 15.130 1.469 660 HG2 MET 85 HG2 MET 85 2.558 14.333 3.607 661 HG3 MET 85 HG3 MET 85 3.203 13.045 2.589 662 HE1 MET 85 HE1 MET 85 3.768 15.919 4.942 663 HE2 MET 85 HE2 MET 85 5.307 15.476 5.677 664 HE3 MET 85 HE3 MET 85 3.937 14.367 5.765 665 HA PRO 86 HA PRO 86 1.432 12.591 -2.568 666 HB2 PRO 86 HB2 PRO 86 1.513 9.872 -1.346 667 HB3 PRO 86 HB3 PRO 86 1.631 10.356 -3.047 668 HG2 PRO 86 HG2 PRO 86 3.741 9.504 -1.604 669 HG3 PRO 86 HG3 PRO 86 3.884 10.674 -2.921 670 HD2 PRO 86 HD2 PRO 86 4.060 11.125 0.022 671 HD3 PRO 86 HD3 PRO 86 4.810 12.041 -1.304 672 H HIS 87 H HIS 87 -0.679 13.023 -2.199 673 HA HIS 87 HA HIS 87 -2.031 11.786 0.100 674 HB2 HIS 87 HB2 HIS 87 -2.066 14.740 -0.590 675 HB3 HIS 87 HB3 HIS 87 -3.149 13.975 0.566 676 HD1 HIS 87 HD1 HIS 87 -0.827 16.184 1.171 677 HD2 HIS 87 HD2 HIS 87 -0.783 12.097 2.079 678 HE1 HIS 87 HE1 HIS 87 0.382 15.921 3.385 679 HE2 HIS 87 HE2 HIS 87 0.472 13.447 3.918 680 H ILE 88 H ILE 88 -4.061 11.110 -0.311 681 HA ILE 88 HA ILE 88 -5.453 12.234 -2.656 682 HB ILE 88 HB ILE 88 -6.469 10.043 -3.070 683 HG12 ILE 88 HG12 ILE 88 -4.555 8.991 -0.975 684 HG13 ILE 88 HG13 ILE 88 -6.282 9.221 -0.703 685 HG21 ILE 88 HG21 ILE 88 -3.461 9.744 -2.899 686 HG22 ILE 88 HG22 ILE 88 -4.234 10.797 -4.077 687 HG23 ILE 88 HG23 ILE 88 -4.542 9.065 -4.113 688 HD11 ILE 88 HD11 ILE 88 -5.290 7.557 -3.019 689 HD12 ILE 88 HD12 ILE 88 -6.876 7.538 -2.243 690 HD13 ILE 88 HD13 ILE 88 -5.474 6.869 -1.406 691 H VAL 89 H VAL 89 -7.647 12.685 -2.412 692 HA VAL 89 HA VAL 89 -8.731 12.254 0.314 693 HB VAL 89 HB VAL 89 -10.029 14.276 0.061 694 HG11 VAL 89 HG11 VAL 89 -8.019 14.902 1.013 695 HG12 VAL 89 HG12 VAL 89 -8.005 15.906 -0.434 696 HG13 VAL 89 HG13 VAL 89 -7.076 14.414 -0.391 697 HG21 VAL 89 HG21 VAL 89 -9.071 14.123 -2.760 698 HG22 VAL 89 HG22 VAL 89 -9.299 15.724 -2.060 699 HG23 VAL 89 HG23 VAL 89 -10.651 14.598 -2.129 700 H VAL 90 H VAL 90 -10.730 11.310 0.484 701 HA VAL 90 HA VAL 90 -11.869 10.266 -2.045 702 HB VAL 90 HB VAL 90 -11.227 8.780 0.514 703 HG11 VAL 90 HG11 VAL 90 -13.380 7.971 -0.036 704 HG12 VAL 90 HG12 VAL 90 -12.280 6.811 -0.772 705 HG13 VAL 90 HG13 VAL 90 -13.059 8.035 -1.772 706 HG21 VAL 90 HG21 VAL 90 -10.106 7.234 -1.171 707 HG22 VAL 90 HG22 VAL 90 -9.343 8.809 -0.952 708 HG23 VAL 90 HG23 VAL 90 -10.354 8.506 -2.370 709 H LYS 91 H LYS 91 -13.995 10.431 -2.183 710 HA LYS 91 HA LYS 91 -15.569 10.928 0.243 711 HB2 LYS 91 HB2 LYS 91 -17.020 12.498 -1.215 712 HB3 LYS 91 HB3 LYS 91 -15.586 13.136 -0.455 713 HG2 LYS 91 HG2 LYS 91 -15.701 12.211 -3.336 714 HG3 LYS 91 HG3 LYS 91 -15.911 13.872 -2.818 715 HD2 LYS 91 HD2 LYS 91 -13.631 13.869 -1.863 716 HD3 LYS 91 HD3 LYS 91 -13.393 12.219 -2.420 717 HE2 LYS 91 HE2 LYS 91 -13.750 12.935 -4.751 718 HE3 LYS 91 HE3 LYS 91 -13.959 14.596 -4.195 719 HZ1 LYS 91 HZ1 LYS 91 -11.780 14.793 -3.634 720 HZ2 LYS 91 HZ2 LYS 91 -11.642 13.750 -4.969 721 HZ3 LYS 91 HZ3 LYS 91 -11.552 13.126 -3.392 722 H CYS 92 H CYS 92 -17.557 9.985 0.232 723 HA CYS 92 HA CYS 92 -18.105 8.278 -2.116 724 HB2 CYS 92 HB2 CYS 92 -19.603 7.161 -0.131 725 HB3 CYS 92 HB3 CYS 92 -18.014 6.606 -0.630 726 H LEU 93 H LEU 93 -20.020 8.359 -3.042 727 HA LEU 93 HA LEU 93 -21.736 10.594 -2.667 728 HB2 LEU 93 HB2 LEU 93 -21.981 8.046 -4.286 729 HB3 LEU 93 HB3 LEU 93 -23.185 9.336 -4.329 730 HG LEU 93 HG LEU 93 -20.238 9.815 -4.846 731 HD11 LEU 93 HD11 LEU 93 -20.726 8.506 -6.699 732 HD12 LEU 93 HD12 LEU 93 -21.221 10.092 -7.283 733 HD13 LEU 93 HD13 LEU 93 -22.436 8.955 -6.699 734 HD21 LEU 93 HD21 LEU 93 -21.291 11.853 -4.269 735 HD22 LEU 93 HD22 LEU 93 -22.754 11.453 -5.173 736 HD23 LEU 93 HD23 LEU 93 -21.263 11.846 -6.030 737 H GLU 94 H GLU 94 -21.868 7.204 -1.767 738 HA GLU 94 HA GLU 94 -24.538 7.060 -0.935 739 HB2 GLU 94 HB2 GLU 94 -22.071 5.557 0.015 740 HB3 GLU 94 HB3 GLU 94 -23.726 5.070 0.365 741 HG2 GLU 94 HG2 GLU 94 -24.182 4.790 -2.029 742 HG3 GLU 94 HG3 GLU 94 -22.567 5.376 -2.419 743 H CYS 95 H CYS 95 -21.569 7.606 0.949 744 HA CYS 95 HA CYS 95 -22.991 8.209 3.393 745 HB2 CYS 95 HB2 CYS 95 -20.067 8.593 2.736 746 HB3 CYS 95 HB3 CYS 95 -20.802 8.718 4.333 747 H GLY 96 H GLY 96 -21.609 10.002 0.727 748 HA2 GLY 96 HA2 GLY 96 -21.881 12.220 0.132 749 HA3 GLY 96 HA3 GLY 96 -22.887 12.457 1.555 750 H HIS 97 H HIS 97 -19.785 10.997 2.010 751 HA HIS 97 HA HIS 97 -18.874 13.440 3.383 752 HB2 HIS 97 HB2 HIS 97 -19.027 10.672 4.543 753 HB3 HIS 97 HB3 HIS 97 -17.987 11.930 5.210 754 HD1 HIS 97 HD1 HIS 97 -21.690 11.331 4.383 755 HD2 HIS 97 HD2 HIS 97 -19.290 13.695 6.880 756 HE1 HIS 97 HE1 HIS 97 -23.197 12.250 6.210 757 HE2 HIS 97 HE2 HIS 97 -21.821 13.930 7.523 758 H ILE 98 H ILE 98 -16.703 13.689 3.686 759 HA ILE 98 HA ILE 98 -15.066 12.336 1.648 760 HB ILE 98 HB ILE 98 -15.426 14.603 1.063 761 HG12 ILE 98 HG12 ILE 98 -13.223 15.597 1.107 762 HG13 ILE 98 HG13 ILE 98 -12.748 14.623 2.490 763 HG21 ILE 98 HG21 ILE 98 -15.057 15.100 3.992 764 HG22 ILE 98 HG22 ILE 98 -16.286 15.711 2.887 765 HG23 ILE 98 HG23 ILE 98 -14.659 16.391 2.860 766 HD11 ILE 98 HD11 ILE 98 -12.262 12.827 1.201 767 HD12 ILE 98 HD12 ILE 98 -12.214 13.995 -0.115 768 HD13 ILE 98 HD13 ILE 98 -13.678 13.055 0.173 769 H MET 99 H MET 99 -13.330 11.308 2.209 770 HA MET 99 HA MET 99 -12.178 11.654 4.917 771 HB2 MET 99 HB2 MET 99 -12.473 9.155 3.223 772 HB3 MET 99 HB3 MET 99 -11.546 9.237 4.720 773 HG2 MET 99 HG2 MET 99 -13.606 9.963 5.917 774 HG3 MET 99 HG3 MET 99 -14.519 9.795 4.416 775 HE1 MET 99 HE1 MET 99 -14.488 8.002 3.015 776 HE2 MET 99 HE2 MET 99 -15.250 6.554 3.672 777 HE3 MET 99 HE3 MET 99 -13.544 6.525 3.233 778 H ARG 100 H ARG 100 -9.933 11.495 5.116 779 HA ARG 100 HA ARG 100 -8.441 12.057 2.629 780 HB2 ARG 100 HB2 ARG 100 -7.836 12.623 5.549 781 HB3 ARG 100 HB3 ARG 100 -6.713 12.946 4.227 782 HG2 ARG 100 HG2 ARG 100 -8.327 14.439 3.157 783 HG3 ARG 100 HG3 ARG 100 -9.518 14.088 4.409 784 HD2 ARG 100 HD2 ARG 100 -7.997 15.037 6.109 785 HD3 ARG 100 HD3 ARG 100 -6.818 15.403 4.847 786 HE ARG 100 HE ARG 100 -9.178 16.588 4.036 787 HH11 ARG 100 HH11 ARG 100 -7.198 16.775 6.925 788 HH12 ARG 100 HH12 ARG 100 -7.145 18.506 6.903 789 HH21 ARG 100 HH21 ARG 100 -9.462 18.837 4.354 790 HH22 ARG 100 HH22 ARG 100 -9.041 19.476 5.909 791 H TYR 101 H TYR 101 -6.818 10.770 1.959 792 HA TYR 101 HA TYR 101 -5.956 8.550 3.709 793 HB2 TYR 101 HB2 TYR 101 -7.237 8.417 1.114 794 HB3 TYR 101 HB3 TYR 101 -5.632 7.691 1.052 795 HD1 TYR 101 HD1 TYR 101 -5.016 6.109 3.061 796 HD2 TYR 101 HD2 TYR 101 -9.018 7.065 1.821 797 HE1 TYR 101 HE1 TYR 101 -5.840 4.011 4.085 798 HE2 TYR 101 HE2 TYR 101 -9.858 5.065 2.996 799 HH TYR 101 HH TYR 101 -7.992 2.503 3.715 800 HA PRO 102 HA PRO 102 -2.118 10.752 2.539 801 HB2 PRO 102 HB2 PRO 102 -0.666 9.949 4.681 802 HB3 PRO 102 HB3 PRO 102 -1.850 11.265 4.796 803 HG2 PRO 102 HG2 PRO 102 -2.104 8.404 5.612 804 HG3 PRO 102 HG3 PRO 102 -2.641 9.866 6.452 805 HD2 PRO 102 HD2 PRO 102 -4.290 8.247 4.917 806 HD3 PRO 102 HD3 PRO 102 -4.613 9.961 5.243 807 H TYR 103 H TYR 103 -0.265 9.971 1.526 808 HA TYR 103 HA TYR 103 0.454 7.152 1.833 809 HB2 TYR 103 HB2 TYR 103 -1.189 7.273 -0.032 810 HB3 TYR 103 HB3 TYR 103 -0.118 8.386 -0.875 811 HD1 TYR 103 HD1 TYR 103 -0.472 4.938 0.432 812 HD2 TYR 103 HD2 TYR 103 1.863 7.582 -2.018 813 HE1 TYR 103 HE1 TYR 103 0.606 2.989 -0.638 814 HE2 TYR 103 HE2 TYR 103 3.228 5.650 -2.755 815 HH TYR 103 HH TYR 103 2.813 3.134 -3.168 816 H ILE 104 H ILE 104 2.586 6.661 0.900 817 HA ILE 104 HA ILE 104 4.283 9.039 0.614 818 HB ILE 104 HB ILE 104 4.434 8.243 2.965 819 HG12 ILE 104 HG12 ILE 104 6.932 8.026 2.995 820 HG13 ILE 104 HG13 ILE 104 6.902 7.874 1.240 821 HG21 ILE 104 HG21 ILE 104 5.449 6.098 3.468 822 HG22 ILE 104 HG22 ILE 104 5.641 5.745 1.751 823 HG23 ILE 104 HG23 ILE 104 4.028 5.833 2.462 824 HD11 ILE 104 HD11 ILE 104 7.298 10.223 2.367 825 HD12 ILE 104 HD12 ILE 104 5.542 10.222 2.530 826 HD13 ILE 104 HD13 ILE 104 6.281 10.095 0.932 827 H LYS 105 H LYS 105 5.883 8.835 -0.872 828 HA LYS 105 HA LYS 105 5.522 7.159 -3.060 829 HB2 LYS 105 HB2 LYS 105 8.013 8.568 -2.075 830 HB3 LYS 105 HB3 LYS 105 7.892 7.774 -3.642 831 HG2 LYS 105 HG2 LYS 105 6.021 9.263 -4.254 832 HG3 LYS 105 HG3 LYS 105 6.132 10.051 -2.677 833 HD2 LYS 105 HD2 LYS 105 8.465 10.723 -3.180 834 HD3 LYS 105 HD3 LYS 105 8.348 9.927 -4.749 835 HE2 LYS 105 HE2 LYS 105 6.546 11.469 -5.411 836 HE3 LYS 105 HE3 LYS 105 6.629 12.255 -3.833 837 HZ1 LYS 105 HZ1 LYS 105 8.675 13.164 -4.299 838 HZ2 LYS 105 HZ2 LYS 105 7.936 13.223 -5.830 839 HZ3 LYS 105 HZ3 LYS 105 9.059 12.000 -5.474 Start of MODEL 9 1 H LYS 15 H LYS 15 -18.999 -20.399 3.102 2 HA LYS 15 HA LYS 15 -18.357 -18.089 3.084 3 HB2 LYS 15 HB2 LYS 15 -16.294 -17.414 1.944 4 HB3 LYS 15 HB3 LYS 15 -15.927 -18.507 3.276 5 HG2 LYS 15 HG2 LYS 15 -15.806 -20.401 1.675 6 HG3 LYS 15 HG3 LYS 15 -16.125 -19.280 0.352 7 HD2 LYS 15 HD2 LYS 15 -14.096 -18.017 0.923 8 HD3 LYS 15 HD3 LYS 15 -13.769 -19.115 2.257 9 HE2 LYS 15 HE2 LYS 15 -13.558 -20.992 0.654 10 HE3 LYS 15 HE3 LYS 15 -13.881 -19.882 -0.678 11 HZ1 LYS 15 HZ1 LYS 15 -11.582 -19.838 1.182 12 HZ2 LYS 15 HZ2 LYS 15 -11.938 -18.577 0.103 13 HZ3 LYS 15 HZ3 LYS 15 -11.555 -20.120 -0.493 14 H GLU 16 H GLU 16 -19.231 -20.586 1.250 15 HA GLU 16 HA GLU 16 -19.232 -19.568 -1.368 16 HB2 GLU 16 HB2 GLU 16 -21.071 -21.527 0.034 17 HB3 GLU 16 HB3 GLU 16 -21.085 -21.251 -1.706 18 HG2 GLU 16 HG2 GLU 16 -18.743 -21.968 -1.864 19 HG3 GLU 16 HG3 GLU 16 -18.657 -22.160 -0.119 20 H ARG 17 H ARG 17 -21.611 -19.292 1.232 21 HA ARG 17 HA ARG 17 -23.698 -18.058 -0.123 22 HB2 ARG 17 HB2 ARG 17 -23.757 -19.008 2.178 23 HB3 ARG 17 HB3 ARG 17 -22.784 -17.645 2.731 24 HG2 ARG 17 HG2 ARG 17 -24.517 -16.071 2.076 25 HG3 ARG 17 HG3 ARG 17 -25.524 -17.380 1.457 26 HD2 ARG 17 HD2 ARG 17 -25.602 -18.351 3.761 27 HD3 ARG 17 HD3 ARG 17 -24.576 -17.032 4.318 28 HE ARG 17 HE ARG 17 -26.391 -15.586 4.206 29 HH11 ARG 17 HH11 ARG 17 -27.175 -18.627 2.748 30 HH12 ARG 17 HH12 ARG 17 -28.867 -18.277 2.592 31 HH21 ARG 17 HH21 ARG 17 -28.604 -15.071 3.837 32 HH22 ARG 17 HH22 ARG 17 -29.688 -16.377 3.493 33 H ILE 18 H ILE 18 -20.946 -16.599 1.554 34 HA ILE 18 HA ILE 18 -21.842 -13.937 1.240 35 HB ILE 18 HB ILE 18 -20.248 -14.643 2.982 36 HG12 ILE 18 HG12 ILE 18 -19.128 -12.438 1.244 37 HG13 ILE 18 HG13 ILE 18 -20.604 -12.259 2.186 38 HG21 ILE 18 HG21 ILE 18 -18.523 -15.926 2.251 39 HG22 ILE 18 HG22 ILE 18 -17.751 -14.375 1.955 40 HG23 ILE 18 HG23 ILE 18 -18.543 -15.230 0.632 41 HD11 ILE 18 HD11 ILE 18 -17.931 -13.036 3.385 42 HD12 ILE 18 HD12 ILE 18 -19.416 -12.666 4.257 43 HD13 ILE 18 HD13 ILE 18 -18.575 -11.398 3.369 44 H ASP 19 H ASP 19 -19.910 -16.070 -0.746 45 HA ASP 19 HA ASP 19 -18.731 -14.192 -2.465 46 HB2 ASP 19 HB2 ASP 19 -19.520 -17.077 -2.650 47 HB3 ASP 19 HB3 ASP 19 -18.930 -16.289 -4.095 48 H ILE 20 H ILE 20 -21.842 -15.843 -2.636 49 HA ILE 20 HA ILE 20 -22.674 -14.924 -5.148 50 HB ILE 20 HB ILE 20 -24.253 -15.668 -2.672 51 HG12 ILE 20 HG12 ILE 20 -23.839 -17.179 -5.254 52 HG13 ILE 20 HG13 ILE 20 -22.786 -17.403 -3.857 53 HG21 ILE 20 HG21 ILE 20 -25.181 -15.226 -5.525 54 HG22 ILE 20 HG22 ILE 20 -25.592 -14.205 -4.142 55 HG23 ILE 20 HG23 ILE 20 -26.183 -15.869 -4.217 56 HD11 ILE 20 HD11 ILE 20 -25.763 -17.974 -4.064 57 HD12 ILE 20 HD12 ILE 20 -24.906 -17.921 -2.526 58 HD13 ILE 20 HD13 ILE 20 -24.463 -19.118 -3.748 59 H LEU 21 H LEU 21 -23.130 -13.647 -1.918 60 HA LEU 21 HA LEU 21 -24.606 -11.340 -2.580 61 HB2 LEU 21 HB2 LEU 21 -23.013 -12.115 -0.170 62 HB3 LEU 21 HB3 LEU 21 -23.603 -10.467 -0.341 63 HG LEU 21 HG LEU 21 -25.899 -11.397 -0.756 64 HD11 LEU 21 HD11 LEU 21 -24.597 -13.975 0.172 65 HD12 LEU 21 HD12 LEU 21 -25.237 -13.680 -1.445 66 HD13 LEU 21 HD13 LEU 21 -26.327 -13.735 -0.058 67 HD21 LEU 21 HD21 LEU 21 -26.241 -12.091 1.664 68 HD22 LEU 21 HD22 LEU 21 -25.423 -10.547 1.427 69 HD23 LEU 21 HD23 LEU 21 -24.491 -11.981 1.859 70 H PHE 22 H PHE 22 -21.122 -11.872 -2.232 71 HA PHE 22 HA PHE 22 -20.199 -9.271 -2.666 72 HB2 PHE 22 HB2 PHE 22 -18.741 -11.141 -1.989 73 HB3 PHE 22 HB3 PHE 22 -18.993 -11.913 -3.552 74 HD1 PHE 22 HD1 PHE 22 -17.779 -8.644 -2.102 75 HD2 PHE 22 HD2 PHE 22 -17.957 -11.021 -5.589 76 HE1 PHE 22 HE1 PHE 22 -15.441 -7.921 -2.666 77 HE2 PHE 22 HE2 PHE 22 -16.015 -9.775 -6.499 78 HZ PHE 22 HZ PHE 22 -14.678 -8.316 -4.997 79 H SER 23 H SER 23 -20.979 -11.836 -5.038 80 HA SER 23 HA SER 23 -20.210 -10.374 -7.345 81 HB2 SER 23 HB2 SER 23 -22.291 -12.547 -7.020 82 HB3 SER 23 HB3 SER 23 -21.599 -12.016 -8.551 83 HG SER 23 HG SER 23 -20.189 -13.171 -6.376 84 H LEU 24 H LEU 24 -23.353 -10.710 -5.678 85 HA LEU 24 HA LEU 24 -24.882 -9.159 -7.466 86 HB2 LEU 24 HB2 LEU 24 -25.164 -9.674 -4.503 87 HB3 LEU 24 HB3 LEU 24 -26.375 -8.822 -5.458 88 HG LEU 24 HG LEU 24 -25.378 -11.604 -6.148 89 HD11 LEU 24 HD11 LEU 24 -27.268 -12.523 -5.041 90 HD12 LEU 24 HD12 LEU 24 -27.997 -10.932 -4.800 91 HD13 LEU 24 HD13 LEU 24 -26.564 -11.394 -3.884 92 HD21 LEU 24 HD21 LEU 24 -26.449 -11.087 -8.068 93 HD22 LEU 24 HD22 LEU 24 -27.235 -9.675 -7.365 94 HD23 LEU 24 HD23 LEU 24 -27.935 -11.276 -7.138 95 H ALA 25 H ALA 25 -23.065 -8.240 -4.544 96 HA ALA 25 HA ALA 25 -23.845 -5.533 -4.519 97 HB1 ALA 25 HB1 ALA 25 -21.859 -5.179 -3.116 98 HB2 ALA 25 HB2 ALA 25 -21.251 -6.770 -3.572 99 HB3 ALA 25 HB3 ALA 25 -22.727 -6.630 -2.617 100 H GLU 26 H GLU 26 -21.193 -7.207 -6.187 101 HA GLU 26 HA GLU 26 -19.840 -4.869 -6.999 102 HB2 GLU 26 HB2 GLU 26 -18.851 -7.139 -6.891 103 HB3 GLU 26 HB3 GLU 26 -19.870 -7.621 -8.246 104 HG2 GLU 26 HG2 GLU 26 -18.791 -5.969 -9.696 105 HG3 GLU 26 HG3 GLU 26 -17.811 -5.409 -8.343 106 H ARG 27 H ARG 27 -22.293 -6.846 -8.744 107 HA ARG 27 HA ARG 27 -22.208 -5.323 -11.128 108 HB2 ARG 27 HB2 ARG 27 -23.302 -7.527 -11.008 109 HB3 ARG 27 HB3 ARG 27 -24.564 -6.843 -9.987 110 HG2 ARG 27 HG2 ARG 27 -25.124 -5.227 -11.788 111 HG3 ARG 27 HG3 ARG 27 -23.878 -5.937 -12.809 112 HD2 ARG 27 HD2 ARG 27 -25.084 -8.132 -12.640 113 HD3 ARG 27 HD3 ARG 27 -26.385 -7.298 -11.786 114 HE ARG 27 HE ARG 27 -25.717 -6.025 -14.269 115 HH11 ARG 27 HH11 ARG 27 -27.621 -8.479 -12.743 116 HH12 ARG 27 HH12 ARG 27 -28.708 -8.661 -14.081 117 HH21 ARG 27 HH21 ARG 27 -27.098 -6.342 -16.067 118 HH22 ARG 27 HH22 ARG 27 -28.640 -7.065 -15.753 119 H VAL 28 H VAL 28 -24.316 -5.012 -8.275 120 HA VAL 28 HA VAL 28 -25.878 -2.896 -9.281 121 HB VAL 28 HB VAL 28 -26.609 -4.297 -7.418 122 HG11 VAL 28 HG11 VAL 28 -24.518 -2.839 -5.776 123 HG12 VAL 28 HG12 VAL 28 -24.357 -4.495 -6.355 124 HG13 VAL 28 HG13 VAL 28 -25.630 -4.086 -5.211 125 HG21 VAL 28 HG21 VAL 28 -27.536 -2.533 -6.039 126 HG22 VAL 28 HG22 VAL 28 -27.474 -1.954 -7.706 127 HG23 VAL 28 HG23 VAL 28 -26.265 -1.420 -6.537 128 H PHE 29 H PHE 29 -22.865 -3.028 -7.649 129 HA PHE 29 HA PHE 29 -22.676 -0.567 -6.526 130 HB2 PHE 29 HB2 PHE 29 -21.105 -2.316 -6.067 131 HB3 PHE 29 HB3 PHE 29 -20.504 -2.310 -7.716 132 HD1 PHE 29 HD1 PHE 29 -21.136 0.001 -4.904 133 HD2 PHE 29 HD2 PHE 29 -18.419 -1.223 -7.947 134 HE1 PHE 29 HE1 PHE 29 -19.325 1.127 -3.758 135 HE2 PHE 29 HE2 PHE 29 -16.747 0.338 -7.079 136 HZ PHE 29 HZ PHE 29 -17.206 1.649 -5.040 137 HA PRO 30 HA PRO 30 -20.727 1.498 -10.479 138 HB2 PRO 30 HB2 PRO 30 -21.076 0.137 -12.846 139 HB3 PRO 30 HB3 PRO 30 -19.614 0.021 -11.853 140 HG2 PRO 30 HG2 PRO 30 -21.926 -1.860 -12.025 141 HG3 PRO 30 HG3 PRO 30 -20.192 -2.204 -11.951 142 HD2 PRO 30 HD2 PRO 30 -21.821 -2.379 -9.768 143 HD3 PRO 30 HD3 PRO 30 -20.102 -1.947 -9.652 144 H TYR 31 H TYR 31 -23.565 -0.562 -10.709 145 HA TYR 31 HA TYR 31 -24.987 0.897 -12.658 146 HB2 TYR 31 HB2 TYR 31 -25.606 -1.361 -12.075 147 HB3 TYR 31 HB3 TYR 31 -25.967 -0.892 -10.413 148 HD1 TYR 31 HD1 TYR 31 -26.954 -0.125 -13.957 149 HD2 TYR 31 HD2 TYR 31 -28.089 -0.073 -9.822 150 HE1 TYR 31 HE1 TYR 31 -29.253 0.499 -14.601 151 HE2 TYR 31 HE2 TYR 31 -30.323 0.797 -10.454 152 HH TYR 31 HH TYR 31 -31.718 -0.109 -12.942 153 H SER 32 H SER 32 -25.110 1.002 -9.128 154 HA SER 32 HA SER 32 -25.737 3.798 -9.111 155 HB2 SER 32 HB2 SER 32 -27.904 3.597 -7.945 156 HB3 SER 32 HB3 SER 32 -27.993 2.940 -9.580 157 HG SER 32 HG SER 32 -27.326 1.306 -7.398 158 HA PRO 33 HA PRO 33 -23.293 2.848 -5.453 159 HB2 PRO 33 HB2 PRO 33 -24.059 5.660 -4.727 160 HB3 PRO 33 HB3 PRO 33 -22.463 4.895 -4.776 161 HG2 PRO 33 HG2 PRO 33 -23.246 6.585 -6.666 162 HG3 PRO 33 HG3 PRO 33 -22.226 5.188 -7.033 163 HD2 PRO 33 HD2 PRO 33 -25.134 5.605 -7.572 164 HD3 PRO 33 HD3 PRO 33 -23.933 4.667 -8.492 165 H GLU 34 H GLU 34 -26.428 4.485 -5.223 166 HA GLU 34 HA GLU 34 -26.779 4.116 -2.472 167 HB2 GLU 34 HB2 GLU 34 -28.774 4.538 -4.698 168 HB3 GLU 34 HB3 GLU 34 -29.209 4.556 -2.989 169 HG2 GLU 34 HG2 GLU 34 -27.651 6.416 -2.595 170 HG3 GLU 34 HG3 GLU 34 -27.109 6.358 -4.264 171 H LEU 35 H LEU 35 -27.868 2.098 -5.189 172 HA LEU 35 HA LEU 35 -29.415 0.285 -3.600 173 HB2 LEU 35 HB2 LEU 35 -28.157 -0.011 -6.328 174 HB3 LEU 35 HB3 LEU 35 -29.140 -1.261 -5.575 175 HG LEU 35 HG LEU 35 -30.104 1.581 -6.028 176 HD11 LEU 35 HD11 LEU 35 -29.599 -0.242 -8.039 177 HD12 LEU 35 HD12 LEU 35 -30.767 1.072 -8.126 178 HD13 LEU 35 HD13 LEU 35 -31.291 -0.543 -7.666 179 HD21 LEU 35 HD21 LEU 35 -32.340 0.184 -5.876 180 HD22 LEU 35 HD22 LEU 35 -31.518 0.714 -4.411 181 HD23 LEU 35 HD23 LEU 35 -31.330 -0.946 -4.981 182 H ALA 36 H ALA 36 -26.087 0.415 -4.688 183 HA ALA 36 HA ALA 36 -25.271 -2.167 -3.884 184 HB1 ALA 36 HB1 ALA 36 -23.381 0.153 -3.867 185 HB2 ALA 36 HB2 ALA 36 -24.161 -0.297 -5.384 186 HB3 ALA 36 HB3 ALA 36 -23.161 -1.472 -4.525 187 H LYS 37 H LYS 37 -25.461 0.900 -2.244 188 HA LYS 37 HA LYS 37 -23.944 0.347 0.080 189 HB2 LYS 37 HB2 LYS 37 -24.741 2.565 -0.717 190 HB3 LYS 37 HB3 LYS 37 -26.385 2.096 -0.321 191 HG2 LYS 37 HG2 LYS 37 -24.218 2.083 1.770 192 HG3 LYS 37 HG3 LYS 37 -25.084 3.563 1.373 193 HD2 LYS 37 HD2 LYS 37 -27.230 2.434 1.917 194 HD3 LYS 37 HD3 LYS 37 -26.344 0.974 2.347 195 HE2 LYS 37 HE2 LYS 37 -25.145 2.174 4.111 196 HE3 LYS 37 HE3 LYS 37 -25.993 3.661 3.694 197 HZ1 LYS 37 HZ1 LYS 37 -26.944 2.310 5.580 198 HZ2 LYS 37 HZ2 LYS 37 -27.409 1.161 4.422 199 HZ3 LYS 37 HZ3 LYS 37 -28.039 2.734 4.356 200 H ARG 38 H ARG 38 -27.427 -0.112 -0.698 201 HA ARG 38 HA ARG 38 -28.121 -1.212 1.834 202 HB2 ARG 38 HB2 ARG 38 -29.390 -1.339 -0.915 203 HB3 ARG 38 HB3 ARG 38 -30.127 -2.061 0.509 204 HG2 ARG 38 HG2 ARG 38 -30.160 0.104 1.649 205 HG3 ARG 38 HG3 ARG 38 -29.301 0.853 0.306 206 HD2 ARG 38 HD2 ARG 38 -31.691 1.356 0.140 207 HD3 ARG 38 HD3 ARG 38 -31.231 0.277 -1.182 208 HE ARG 38 HE ARG 38 -32.104 -1.215 1.077 209 HH11 ARG 38 HH11 ARG 38 -33.316 0.822 -1.475 210 HH12 ARG 38 HH12 ARG 38 -34.735 -0.141 -1.705 211 HH21 ARG 38 HH21 ARG 38 -34.062 -2.316 0.843 212 HH22 ARG 38 HH22 ARG 38 -35.303 -1.668 -0.179 213 H TYR 39 H TYR 39 -27.135 -2.713 -1.239 214 HA TYR 39 HA TYR 39 -27.492 -5.387 -0.386 215 HB2 TYR 39 HB2 TYR 39 -25.795 -4.223 -2.589 216 HB3 TYR 39 HB3 TYR 39 -25.857 -5.944 -2.243 217 HD1 TYR 39 HD1 TYR 39 -28.223 -7.028 -2.038 218 HD2 TYR 39 HD2 TYR 39 -27.511 -3.251 -3.936 219 HE1 TYR 39 HE1 TYR 39 -30.254 -7.341 -3.415 220 HE2 TYR 39 HE2 TYR 39 -29.565 -3.533 -5.281 221 HH TYR 39 HH TYR 39 -31.878 -5.872 -4.695 222 H VAL 40 H VAL 40 -24.627 -3.284 -0.183 223 HA VAL 40 HA VAL 40 -22.893 -5.326 0.804 224 HB VAL 40 HB VAL 40 -22.745 -2.315 0.990 225 HG11 VAL 40 HG11 VAL 40 -20.808 -4.477 1.851 226 HG12 VAL 40 HG12 VAL 40 -21.537 -3.251 2.882 227 HG13 VAL 40 HG13 VAL 40 -20.351 -2.785 1.666 228 HG21 VAL 40 HG21 VAL 40 -21.823 -4.408 -0.903 229 HG22 VAL 40 HG22 VAL 40 -20.649 -3.152 -0.512 230 HG23 VAL 40 HG23 VAL 40 -22.205 -2.714 -1.210 231 H GLU 41 H GLU 41 -25.078 -3.027 2.375 232 HA GLU 41 HA GLU 41 -24.133 -3.462 5.037 233 HB2 GLU 41 HB2 GLU 41 -25.443 -1.480 4.453 234 HB3 GLU 41 HB3 GLU 41 -26.811 -2.484 3.995 235 HG2 GLU 41 HG2 GLU 41 -27.243 -1.651 6.207 236 HG3 GLU 41 HG3 GLU 41 -26.887 -3.367 6.338 237 H LEU 42 H LEU 42 -26.679 -4.860 3.033 238 HA LEU 42 HA LEU 42 -27.450 -7.007 4.648 239 HB2 LEU 42 HB2 LEU 42 -28.592 -6.411 2.631 240 HB3 LEU 42 HB3 LEU 42 -27.137 -6.631 1.677 241 HG LEU 42 HG LEU 42 -27.216 -9.065 2.117 242 HD11 LEU 42 HD11 LEU 42 -28.473 -8.830 4.341 243 HD12 LEU 42 HD12 LEU 42 -28.993 -10.119 3.256 244 HD13 LEU 42 HD13 LEU 42 -29.930 -8.622 3.364 245 HD21 LEU 42 HD21 LEU 42 -28.983 -9.495 0.593 246 HD22 LEU 42 HD22 LEU 42 -28.426 -7.867 0.212 247 HD23 LEU 42 HD23 LEU 42 -29.902 -8.092 1.155 248 H ALA 43 H ALA 43 -24.568 -6.781 2.487 249 HA ALA 43 HA ALA 43 -23.888 -9.549 2.773 250 HB1 ALA 43 HB1 ALA 43 -21.938 -9.037 1.586 251 HB2 ALA 43 HB2 ALA 43 -21.892 -7.379 2.172 252 HB3 ALA 43 HB3 ALA 43 -23.104 -7.861 0.983 253 H LEU 44 H LEU 44 -22.865 -6.595 4.472 254 HA LEU 44 HA LEU 44 -20.972 -7.837 6.157 255 HB2 LEU 44 HB2 LEU 44 -22.445 -5.242 6.209 256 HB3 LEU 44 HB3 LEU 44 -21.554 -5.749 7.640 257 HG LEU 44 HG LEU 44 -19.504 -6.004 6.278 258 HD11 LEU 44 HD11 LEU 44 -20.340 -6.546 4.096 259 HD12 LEU 44 HD12 LEU 44 -19.578 -4.961 3.949 260 HD13 LEU 44 HD13 LEU 44 -21.331 -5.086 4.056 261 HD21 LEU 44 HD21 LEU 44 -20.991 -3.459 6.555 262 HD22 LEU 44 HD22 LEU 44 -19.624 -3.415 5.440 263 HD23 LEU 44 HD23 LEU 44 -19.378 -3.887 7.123 264 H LEU 45 H LEU 45 -24.435 -7.170 6.681 265 HA LEU 45 HA LEU 45 -24.589 -8.220 9.281 266 HB2 LEU 45 HB2 LEU 45 -26.661 -8.107 7.085 267 HB3 LEU 45 HB3 LEU 45 -27.018 -8.619 8.729 268 HG LEU 45 HG LEU 45 -25.751 -5.947 8.066 269 HD11 LEU 45 HD11 LEU 45 -28.351 -5.500 8.970 270 HD12 LEU 45 HD12 LEU 45 -28.525 -6.834 7.833 271 HD13 LEU 45 HD13 LEU 45 -27.788 -5.324 7.310 272 HD21 LEU 45 HD21 LEU 45 -25.302 -6.360 10.316 273 HD22 LEU 45 HD22 LEU 45 -26.783 -7.290 10.548 274 HD23 LEU 45 HD23 LEU 45 -26.853 -5.536 10.417 275 H VAL 46 H VAL 46 -24.984 -9.813 6.127 276 HA VAL 46 HA VAL 46 -25.426 -12.420 7.102 277 HB VAL 46 HB VAL 46 -24.154 -11.404 4.552 278 HG11 VAL 46 HG11 VAL 46 -23.323 -13.624 4.763 279 HG12 VAL 46 HG12 VAL 46 -24.758 -13.774 3.748 280 HG13 VAL 46 HG13 VAL 46 -24.844 -14.204 5.457 281 HG21 VAL 46 HG21 VAL 46 -26.821 -11.490 5.496 282 HG22 VAL 46 HG22 VAL 46 -26.683 -12.784 4.309 283 HG23 VAL 46 HG23 VAL 46 -26.278 -11.128 3.861 284 H GLN 47 H GLN 47 -22.423 -10.658 6.383 285 HA GLN 47 HA GLN 47 -20.668 -12.847 6.567 286 HB2 GLN 47 HB2 GLN 47 -20.213 -10.652 5.502 287 HB3 GLN 47 HB3 GLN 47 -20.202 -9.903 7.094 288 HG2 GLN 47 HG2 GLN 47 -18.290 -11.330 7.755 289 HG3 GLN 47 HG3 GLN 47 -18.280 -12.050 6.146 290 HE21 GLN 47 HE21 GLN 47 -16.133 -11.126 5.564 291 HE22 GLN 47 HE22 GLN 47 -16.056 -9.489 5.130 292 H GLN 48 H GLN 48 -21.513 -10.367 9.037 293 HA GLN 48 HA GLN 48 -19.948 -11.498 11.095 294 HB2 GLN 48 HB2 GLN 48 -21.162 -10.018 12.580 295 HB3 GLN 48 HB3 GLN 48 -20.790 -9.183 11.075 296 HG2 GLN 48 HG2 GLN 48 -23.084 -9.689 10.253 297 HG3 GLN 48 HG3 GLN 48 -23.444 -10.446 11.801 298 HE21 GLN 48 HE21 GLN 48 -25.112 -8.900 12.302 299 HE22 GLN 48 HE22 GLN 48 -24.834 -7.230 12.383 300 H LYS 49 H LYS 49 -23.341 -11.990 10.217 301 HA LYS 49 HA LYS 49 -24.033 -13.649 12.395 302 HB2 LYS 49 HB2 LYS 49 -25.197 -13.357 9.622 303 HB3 LYS 49 HB3 LYS 49 -25.921 -14.352 10.886 304 HG2 LYS 49 HG2 LYS 49 -26.090 -12.394 12.363 305 HG3 LYS 49 HG3 LYS 49 -25.309 -11.387 11.154 306 HD2 LYS 49 HD2 LYS 49 -27.197 -11.829 9.600 307 HD3 LYS 49 HD3 LYS 49 -27.967 -12.817 10.844 308 HE2 LYS 49 HE2 LYS 49 -28.077 -10.872 12.344 309 HE3 LYS 49 HE3 LYS 49 -27.284 -9.875 11.122 310 HZ1 LYS 49 HZ1 LYS 49 -29.597 -9.495 10.961 311 HZ2 LYS 49 HZ2 LYS 49 -29.945 -11.158 10.942 312 HZ3 LYS 49 HZ3 LYS 49 -29.162 -10.436 9.620 313 H ALA 50 H ALA 50 -22.817 -14.425 9.144 314 HA ALA 50 HA ALA 50 -22.740 -17.234 9.563 315 HB1 ALA 50 HB1 ALA 50 -21.079 -15.560 7.669 316 HB2 ALA 50 HB2 ALA 50 -22.729 -16.100 7.344 317 HB3 ALA 50 HB3 ALA 50 -21.437 -17.282 7.522 318 H LYS 51 H LYS 51 -20.882 -14.709 10.830 319 HA LYS 51 HA LYS 51 -18.944 -14.596 12.025 320 HB2 LYS 51 HB2 LYS 51 -20.417 -16.661 13.005 321 HB3 LYS 51 HB3 LYS 51 -18.910 -17.498 12.634 322 HG2 LYS 51 HG2 LYS 51 -17.647 -15.872 13.972 323 HG3 LYS 51 HG3 LYS 51 -19.107 -14.920 14.225 324 HD2 LYS 51 HD2 LYS 51 -20.133 -16.831 15.435 325 HD3 LYS 51 HD3 LYS 51 -18.646 -17.752 15.217 326 HE2 LYS 51 HE2 LYS 51 -18.787 -15.074 16.645 327 HE3 LYS 51 HE3 LYS 51 -18.801 -16.639 17.464 328 HZ1 LYS 51 HZ1 LYS 51 -16.638 -15.343 15.970 329 HZ2 LYS 51 HZ2 LYS 51 -16.702 -17.042 16.038 330 HZ3 LYS 51 HZ3 LYS 51 -16.590 -16.138 17.475 331 H VAL 52 H VAL 52 -18.337 -14.534 9.522 332 HA VAL 52 HA VAL 52 -15.968 -16.296 9.323 333 HB VAL 52 HB VAL 52 -16.073 -15.783 6.846 334 HG11 VAL 52 HG11 VAL 52 -18.486 -17.223 7.994 335 HG12 VAL 52 HG12 VAL 52 -16.863 -17.913 7.933 336 HG13 VAL 52 HG13 VAL 52 -17.713 -17.529 6.439 337 HG21 VAL 52 HG21 VAL 52 -17.721 -13.814 7.315 338 HG22 VAL 52 HG22 VAL 52 -18.956 -15.069 7.365 339 HG23 VAL 52 HG23 VAL 52 -18.011 -14.824 5.897 340 H LYS 53 H LYS 53 -14.032 -15.323 9.373 341 HA LYS 53 HA LYS 53 -13.951 -12.383 9.131 342 HB2 LYS 53 HB2 LYS 53 -12.122 -14.355 10.524 343 HB3 LYS 53 HB3 LYS 53 -11.775 -12.637 10.379 344 HG2 LYS 53 HG2 LYS 53 -13.887 -12.123 11.568 345 HG3 LYS 53 HG3 LYS 53 -14.229 -13.846 11.708 346 HD2 LYS 53 HD2 LYS 53 -12.156 -14.157 13.006 347 HD3 LYS 53 HD3 LYS 53 -11.824 -12.430 12.893 348 HE2 LYS 53 HE2 LYS 53 -13.935 -11.934 14.079 349 HE3 LYS 53 HE3 LYS 53 -14.272 -13.660 14.192 350 HZ1 LYS 53 HZ1 LYS 53 -13.253 -13.414 16.162 351 HZ2 LYS 53 HZ2 LYS 53 -12.368 -12.051 15.673 352 HZ3 LYS 53 HZ3 LYS 53 -11.851 -13.608 15.229 353 H ILE 54 H ILE 54 -12.755 -11.407 7.711 354 HA ILE 54 HA ILE 54 -10.688 -12.785 6.186 355 HB ILE 54 HB ILE 54 -11.697 -11.824 4.050 356 HG12 ILE 54 HG12 ILE 54 -13.957 -11.410 6.001 357 HG13 ILE 54 HG13 ILE 54 -13.384 -10.346 4.728 358 HG21 ILE 54 HG21 ILE 54 -12.987 -13.836 3.697 359 HG22 ILE 54 HG22 ILE 54 -13.264 -14.018 5.428 360 HG23 ILE 54 HG23 ILE 54 -11.644 -14.236 4.764 361 HD11 ILE 54 HD11 ILE 54 -15.192 -11.093 3.587 362 HD12 ILE 54 HD12 ILE 54 -15.353 -12.522 4.606 363 HD13 ILE 54 HD13 ILE 54 -14.204 -12.516 3.270 364 HA PRO 55 HA PRO 55 -9.242 -8.786 7.630 365 HB2 PRO 55 HB2 PRO 55 -6.878 -9.475 5.925 366 HB3 PRO 55 HB3 PRO 55 -6.915 -8.879 7.594 367 HG2 PRO 55 HG2 PRO 55 -6.438 -11.435 7.028 368 HG3 PRO 55 HG3 PRO 55 -7.382 -10.974 8.450 369 HD2 PRO 55 HD2 PRO 55 -8.293 -12.167 5.867 370 HD3 PRO 55 HD3 PRO 55 -8.989 -12.328 7.491 371 H ARG 56 H ARG 56 -8.853 -9.687 4.211 372 HA ARG 56 HA ARG 56 -8.932 -6.848 3.508 373 HB2 ARG 56 HB2 ARG 56 -6.898 -7.980 2.915 374 HB3 ARG 56 HB3 ARG 56 -7.790 -9.137 1.936 375 HG2 ARG 56 HG2 ARG 56 -8.504 -7.407 0.410 376 HG3 ARG 56 HG3 ARG 56 -7.825 -6.148 1.442 377 HD2 ARG 56 HD2 ARG 56 -6.286 -6.596 -0.390 378 HD3 ARG 56 HD3 ARG 56 -5.563 -7.158 1.111 379 HE ARG 56 HE ARG 56 -6.994 -9.268 -0.160 380 HH11 ARG 56 HH11 ARG 56 -4.074 -7.429 -0.239 381 HH12 ARG 56 HH12 ARG 56 -3.098 -8.767 -0.712 382 HH21 ARG 56 HH21 ARG 56 -5.478 -11.055 -0.610 383 HH22 ARG 56 HH22 ARG 56 -4.226 -10.594 -1.715 384 H LYS 57 H LYS 57 -10.981 -9.681 3.067 385 HA LYS 57 HA LYS 57 -11.560 -9.252 0.313 386 HB2 LYS 57 HB2 LYS 57 -11.960 -11.397 1.531 387 HB3 LYS 57 HB3 LYS 57 -13.235 -10.602 2.449 388 HG2 LYS 57 HG2 LYS 57 -14.465 -10.120 0.361 389 HG3 LYS 57 HG3 LYS 57 -13.193 -10.916 -0.562 390 HD2 LYS 57 HD2 LYS 57 -13.675 -13.039 0.673 391 HD3 LYS 57 HD3 LYS 57 -14.966 -12.206 1.537 392 HE2 LYS 57 HE2 LYS 57 -16.152 -11.762 -0.531 393 HE3 LYS 57 HE3 LYS 57 -14.900 -12.587 -1.462 394 HZ1 LYS 57 HZ1 LYS 57 -15.414 -14.559 0.051 395 HZ2 LYS 57 HZ2 LYS 57 -16.550 -14.164 -1.152 396 HZ3 LYS 57 HZ3 LYS 57 -16.828 -13.702 0.460 397 H TRP 58 H TRP 58 -13.433 -8.436 3.268 398 HA TRP 58 HA TRP 58 -15.021 -6.570 1.621 399 HB2 TRP 58 HB2 TRP 58 -15.913 -8.523 3.632 400 HB3 TRP 58 HB3 TRP 58 -16.560 -6.903 3.880 401 HD1 TRP 58 HD1 TRP 58 -17.044 -9.945 1.833 402 HE1 TRP 58 HE1 TRP 58 -19.055 -9.461 0.245 403 HE3 TRP 58 HE3 TRP 58 -16.605 -4.937 1.519 404 HZ2 TRP 58 HZ2 TRP 58 -19.663 -7.271 -1.598 405 HZ3 TRP 58 HZ3 TRP 58 -17.981 -3.630 -0.081 406 HH2 TRP 58 HH2 TRP 58 -19.464 -4.792 -1.680 407 H LYS 59 H LYS 59 -13.171 -7.110 4.472 408 HA LYS 59 HA LYS 59 -13.900 -4.897 5.996 409 HB2 LYS 59 HB2 LYS 59 -12.648 -6.879 6.807 410 HB3 LYS 59 HB3 LYS 59 -11.232 -6.323 5.925 411 HG2 LYS 59 HG2 LYS 59 -11.186 -4.266 7.279 412 HG3 LYS 59 HG3 LYS 59 -12.640 -4.790 8.128 413 HD2 LYS 59 HD2 LYS 59 -11.457 -6.785 8.951 414 HD3 LYS 59 HD3 LYS 59 -9.989 -6.278 8.117 415 HE2 LYS 59 HE2 LYS 59 -9.924 -4.224 9.493 416 HE3 LYS 59 HE3 LYS 59 -11.394 -4.741 10.323 417 HZ1 LYS 59 HZ1 LYS 59 -8.907 -5.296 11.137 418 HZ2 LYS 59 HZ2 LYS 59 -9.300 -6.717 10.284 419 HZ3 LYS 59 HZ3 LYS 59 -10.286 -6.194 11.566 420 H ARG 60 H ARG 60 -11.528 -5.293 3.469 421 HA ARG 60 HA ARG 60 -10.515 -2.557 3.771 422 HB2 ARG 60 HB2 ARG 60 -9.602 -4.889 2.055 423 HB3 ARG 60 HB3 ARG 60 -8.821 -3.312 2.106 424 HG2 ARG 60 HG2 ARG 60 -9.213 -5.047 4.557 425 HG3 ARG 60 HG3 ARG 60 -7.736 -5.035 3.589 426 HD2 ARG 60 HD2 ARG 60 -7.535 -2.588 3.998 427 HD3 ARG 60 HD3 ARG 60 -8.980 -2.660 5.002 428 HE ARG 60 HE ARG 60 -6.798 -4.423 5.798 429 HH11 ARG 60 HH11 ARG 60 -8.313 -1.337 6.113 430 HH12 ARG 60 HH12 ARG 60 -7.796 -1.098 7.752 431 HH21 ARG 60 HH21 ARG 60 -5.891 -3.966 7.793 432 HH22 ARG 60 HH22 ARG 60 -6.442 -2.598 8.703 433 H ARG 61 H ARG 61 -13.093 -3.908 2.294 434 HA ARG 61 HA ARG 61 -12.815 -2.265 -0.139 435 HB2 ARG 61 HB2 ARG 61 -14.134 -4.966 0.103 436 HB3 ARG 61 HB3 ARG 61 -14.343 -3.887 -1.274 437 HG2 ARG 61 HG2 ARG 61 -11.898 -3.846 -1.624 438 HG3 ARG 61 HG3 ARG 61 -11.681 -4.933 -0.259 439 HD2 ARG 61 HD2 ARG 61 -13.046 -6.654 -1.416 440 HD3 ARG 61 HD3 ARG 61 -13.215 -5.579 -2.796 441 HE ARG 61 HE ARG 61 -10.800 -7.008 -1.998 442 HH11 ARG 61 HH11 ARG 61 -12.168 -4.471 -3.949 443 HH12 ARG 61 HH12 ARG 61 -10.994 -4.649 -5.211 444 HH21 ARG 61 HH21 ARG 61 -9.147 -6.996 -3.486 445 HH22 ARG 61 HH22 ARG 61 -9.108 -5.822 -4.754 446 H TYR 62 H TYR 62 -14.158 -1.688 2.601 447 HA TYR 62 HA TYR 62 -16.603 -0.647 1.341 448 HB2 TYR 62 HB2 TYR 62 -17.981 -1.248 3.308 449 HB3 TYR 62 HB3 TYR 62 -17.393 -2.639 2.412 450 HD1 TYR 62 HD1 TYR 62 -16.558 -0.478 5.354 451 HD2 TYR 62 HD2 TYR 62 -16.908 -4.400 3.734 452 HE1 TYR 62 HE1 TYR 62 -15.465 -1.455 7.392 453 HE2 TYR 62 HE2 TYR 62 -16.641 -5.334 6.007 454 HH TYR 62 HH TYR 62 -16.324 -3.995 8.704 455 H CYS 63 H CYS 63 -17.680 1.010 2.368 456 HA CYS 63 HA CYS 63 -16.007 2.959 3.609 457 HB2 CYS 63 HB2 CYS 63 -18.166 3.209 2.068 458 HB3 CYS 63 HB3 CYS 63 -18.987 3.227 3.630 459 H LYS 64 H LYS 64 -15.917 3.628 5.726 460 HA LYS 64 HA LYS 64 -16.614 1.862 7.774 461 HB2 LYS 64 HB2 LYS 64 -16.007 4.826 7.813 462 HB3 LYS 64 HB3 LYS 64 -16.130 3.847 9.268 463 HG2 LYS 64 HG2 LYS 64 -14.259 2.432 8.450 464 HG3 LYS 64 HG3 LYS 64 -14.154 3.431 7.000 465 HD2 LYS 64 HD2 LYS 64 -13.668 5.407 8.356 466 HD3 LYS 64 HD3 LYS 64 -13.795 4.453 9.833 467 HE2 LYS 64 HE2 LYS 64 -11.905 3.045 9.067 468 HE3 LYS 64 HE3 LYS 64 -11.788 4.018 7.598 469 HZ1 LYS 64 HZ1 LYS 64 -10.308 4.584 9.624 470 HZ2 LYS 64 HZ2 LYS 64 -11.709 5.338 10.222 471 HZ3 LYS 64 HZ3 LYS 64 -11.043 5.836 8.738 472 H LYS 65 H LYS 65 -18.406 4.798 6.672 473 HA LYS 65 HA LYS 65 -20.491 4.230 8.639 474 HB2 LYS 65 HB2 LYS 65 -19.918 6.580 8.179 475 HB3 LYS 65 HB3 LYS 65 -20.450 6.370 6.509 476 HG2 LYS 65 HG2 LYS 65 -22.696 5.736 7.273 477 HG3 LYS 65 HG3 LYS 65 -22.182 5.852 8.952 478 HD2 LYS 65 HD2 LYS 65 -21.729 8.265 8.646 479 HD3 LYS 65 HD3 LYS 65 -22.260 8.147 6.968 480 HE2 LYS 65 HE2 LYS 65 -24.494 7.418 7.716 481 HE3 LYS 65 HE3 LYS 65 -23.973 7.504 9.396 482 HZ1 LYS 65 HZ1 LYS 65 -25.023 9.509 9.042 483 HZ2 LYS 65 HZ2 LYS 65 -24.394 9.697 7.475 484 HZ3 LYS 65 HZ3 LYS 65 -23.387 9.913 8.827 485 H CYS 66 H CYS 66 -20.063 4.231 5.129 486 HA CYS 66 HA CYS 66 -22.831 3.807 4.695 487 HB2 CYS 66 HB2 CYS 66 -20.631 3.484 2.647 488 HB3 CYS 66 HB3 CYS 66 -22.351 3.725 2.354 489 H HIS 67 H HIS 67 -20.072 1.688 4.789 490 HA HIS 67 HA HIS 67 -19.831 -0.577 4.560 491 HB2 HIS 67 HB2 HIS 67 -22.795 -0.499 5.164 492 HB3 HIS 67 HB3 HIS 67 -21.814 -1.962 5.151 493 HD1 HIS 67 HD1 HIS 67 -19.572 -1.760 6.827 494 HD2 HIS 67 HD2 HIS 67 -22.963 0.467 7.798 495 HE1 HIS 67 HE1 HIS 67 -19.095 -0.626 9.054 496 HE2 HIS 67 HE2 HIS 67 -21.083 0.856 9.578 497 H ALA 68 H ALA 68 -19.747 0.735 2.413 498 HA ALA 68 HA ALA 68 -21.247 -0.755 0.358 499 HB1 ALA 68 HB1 ALA 68 -20.473 2.116 -0.091 500 HB2 ALA 68 HB2 ALA 68 -21.966 1.732 0.762 501 HB3 ALA 68 HB3 ALA 68 -21.722 1.156 -0.884 502 H PHE 69 H PHE 69 -20.068 -0.784 -1.749 503 HA PHE 69 HA PHE 69 -17.526 -1.930 -1.088 504 HB2 PHE 69 HB2 PHE 69 -19.233 -2.518 -3.041 505 HB3 PHE 69 HB3 PHE 69 -18.293 -1.332 -3.933 506 HD1 PHE 69 HD1 PHE 69 -15.641 -1.596 -3.665 507 HD2 PHE 69 HD2 PHE 69 -18.663 -4.563 -3.825 508 HE1 PHE 69 HE1 PHE 69 -13.957 -3.263 -4.384 509 HE2 PHE 69 HE2 PHE 69 -16.988 -6.294 -4.393 510 HZ PHE 69 HZ PHE 69 -14.686 -5.568 -4.938 511 H LEU 70 H LEU 70 -15.515 -0.893 -1.167 512 HA LEU 70 HA LEU 70 -15.705 1.966 -1.868 513 HB2 LEU 70 HB2 LEU 70 -14.955 0.923 0.440 514 HB3 LEU 70 HB3 LEU 70 -13.405 0.740 -0.362 515 HG LEU 70 HG LEU 70 -13.240 2.810 0.717 516 HD11 LEU 70 HD11 LEU 70 -14.348 3.775 -1.906 517 HD12 LEU 70 HD12 LEU 70 -12.796 2.932 -1.811 518 HD13 LEU 70 HD13 LEU 70 -13.027 4.455 -0.961 519 HD21 LEU 70 HD21 LEU 70 -15.606 2.924 1.382 520 HD22 LEU 70 HD22 LEU 70 -16.021 3.471 -0.247 521 HD23 LEU 70 HD23 LEU 70 -15.019 4.479 0.802 522 H VAL 71 H VAL 71 -15.359 1.954 -4.027 523 HA VAL 71 HA VAL 71 -12.571 1.525 -4.832 524 HB VAL 71 HB VAL 71 -15.031 0.490 -6.209 525 HG11 VAL 71 HG11 VAL 71 -13.631 0.089 -8.224 526 HG12 VAL 71 HG12 VAL 71 -12.343 1.050 -7.500 527 HG13 VAL 71 HG13 VAL 71 -13.881 1.805 -7.922 528 HG21 VAL 71 HG21 VAL 71 -13.475 -1.499 -6.474 529 HG22 VAL 71 HG22 VAL 71 -13.922 -1.099 -4.818 530 HG23 VAL 71 HG23 VAL 71 -12.336 -0.643 -5.435 531 HA PRO 72 HA PRO 72 -13.329 5.766 -6.079 532 HB2 PRO 72 HB2 PRO 72 -10.916 5.441 -7.780 533 HB3 PRO 72 HB3 PRO 72 -11.274 6.626 -6.512 534 HG2 PRO 72 HG2 PRO 72 -9.532 4.600 -6.175 535 HG3 PRO 72 HG3 PRO 72 -10.512 5.244 -4.844 536 HD2 PRO 72 HD2 PRO 72 -10.873 2.719 -6.405 537 HD3 PRO 72 HD3 PRO 72 -11.198 3.042 -4.687 538 H GLY 73 H GLY 73 -14.266 6.747 -7.724 539 HA2 GLY 73 HA2 GLY 73 -14.669 7.246 -9.993 540 HA3 GLY 73 HA3 GLY 73 -14.187 5.610 -10.423 541 H ILE 74 H ILE 74 -16.125 4.951 -7.921 542 HA ILE 74 HA ILE 74 -18.338 4.452 -9.809 543 HB ILE 74 HB ILE 74 -17.156 2.556 -7.786 544 HG12 ILE 74 HG12 ILE 74 -17.536 2.268 -10.783 545 HG13 ILE 74 HG13 ILE 74 -16.044 2.856 -10.062 546 HG21 ILE 74 HG21 ILE 74 -19.812 2.677 -9.136 547 HG22 ILE 74 HG22 ILE 74 -19.370 1.978 -7.583 548 HG23 ILE 74 HG23 ILE 74 -19.026 1.097 -9.068 549 HD11 ILE 74 HD11 ILE 74 -17.304 0.197 -9.333 550 HD12 ILE 74 HD12 ILE 74 -15.698 0.786 -8.904 551 HD13 ILE 74 HD13 ILE 74 -16.075 0.371 -10.575 552 H ASN 75 H ASN 75 -18.035 3.846 -6.258 553 HA ASN 75 HA ASN 75 -20.509 5.436 -5.944 554 HB2 ASN 75 HB2 ASN 75 -20.773 4.316 -3.844 555 HB3 ASN 75 HB3 ASN 75 -20.375 3.098 -5.047 556 HD21 ASN 75 HD21 ASN 75 -19.760 3.700 -1.891 557 HD22 ASN 75 HD22 ASN 75 -18.580 2.478 -1.937 558 H ALA 76 H ALA 76 -17.373 5.850 -6.010 559 HA ALA 76 HA ALA 76 -17.227 7.989 -4.090 560 HB1 ALA 76 HB1 ALA 76 -15.476 7.111 -2.725 561 HB2 ALA 76 HB2 ALA 76 -15.298 5.674 -3.732 562 HB3 ALA 76 HB3 ALA 76 -16.744 5.891 -2.752 563 H ARG 77 H ARG 77 -15.333 9.355 -4.490 564 HA ARG 77 HA ARG 77 -13.848 8.574 -6.924 565 HB2 ARG 77 HB2 ARG 77 -15.668 10.263 -7.344 566 HB3 ARG 77 HB3 ARG 77 -14.766 11.397 -6.337 567 HG2 ARG 77 HG2 ARG 77 -12.815 11.132 -7.869 568 HG3 ARG 77 HG3 ARG 77 -13.764 10.001 -8.846 569 HD2 ARG 77 HD2 ARG 77 -13.868 12.187 -9.899 570 HD3 ARG 77 HD3 ARG 77 -15.443 11.785 -9.213 571 HE ARG 77 HE ARG 77 -15.207 13.567 -7.771 572 HH11 ARG 77 HH11 ARG 77 -11.989 12.650 -8.736 573 HH12 ARG 77 HH12 ARG 77 -11.513 14.295 -9.013 574 HH21 ARG 77 HH21 ARG 77 -14.252 15.630 -7.393 575 HH22 ARG 77 HH22 ARG 77 -12.618 15.892 -7.895 576 H VAL 78 H VAL 78 -11.708 9.194 -7.037 577 HA VAL 78 HA VAL 78 -10.607 10.322 -4.547 578 HB VAL 78 HB VAL 78 -10.257 7.829 -4.748 579 HG11 VAL 78 HG11 VAL 78 -8.138 8.478 -6.769 580 HG12 VAL 78 HG12 VAL 78 -9.787 8.132 -7.306 581 HG13 VAL 78 HG13 VAL 78 -8.884 6.922 -6.396 582 HG21 VAL 78 HG21 VAL 78 -7.535 9.010 -4.842 583 HG22 VAL 78 HG22 VAL 78 -8.295 8.043 -3.577 584 HG23 VAL 78 HG23 VAL 78 -8.648 9.766 -3.704 585 H ARG 79 H ARG 79 -9.235 11.912 -4.791 586 HA ARG 79 HA ARG 79 -8.156 12.496 -7.484 587 HB2 ARG 79 HB2 ARG 79 -9.732 14.211 -6.445 588 HB3 ARG 79 HB3 ARG 79 -8.491 14.490 -5.231 589 HG2 ARG 79 HG2 ARG 79 -6.878 15.108 -6.973 590 HG3 ARG 79 HG3 ARG 79 -8.088 14.780 -8.219 591 HD2 ARG 79 HD2 ARG 79 -8.083 17.177 -7.751 592 HD3 ARG 79 HD3 ARG 79 -9.586 16.481 -7.147 593 HE ARG 79 HE ARG 79 -7.632 16.476 -5.092 594 HH11 ARG 79 HH11 ARG 79 -9.692 18.667 -6.884 595 HH12 ARG 79 HH12 ARG 79 -9.348 19.975 -5.789 596 HH21 ARG 79 HH21 ARG 79 -8.644 17.598 -3.297 597 HH22 ARG 79 HH22 ARG 79 -8.871 19.292 -3.585 598 H LEU 80 H LEU 80 -6.008 12.297 -7.642 599 HA LEU 80 HA LEU 80 -4.469 11.919 -5.146 600 HB2 LEU 80 HB2 LEU 80 -3.768 11.115 -7.991 601 HB3 LEU 80 HB3 LEU 80 -2.878 10.695 -6.532 602 HG LEU 80 HG LEU 80 -5.092 9.626 -5.718 603 HD11 LEU 80 HD11 LEU 80 -6.806 10.136 -7.161 604 HD12 LEU 80 HD12 LEU 80 -6.199 8.730 -8.034 605 HD13 LEU 80 HD13 LEU 80 -5.725 10.353 -8.537 606 HD21 LEU 80 HD21 LEU 80 -4.493 7.535 -6.797 607 HD22 LEU 80 HD22 LEU 80 -3.002 8.440 -6.510 608 HD23 LEU 80 HD23 LEU 80 -3.710 8.396 -8.121 609 H ARG 81 H ARG 81 -3.169 13.549 -4.579 610 HA ARG 81 HA ARG 81 -2.508 15.578 -6.616 611 HB2 ARG 81 HB2 ARG 81 -2.797 15.867 -3.621 612 HB3 ARG 81 HB3 ARG 81 -2.238 17.144 -4.699 613 HG2 ARG 81 HG2 ARG 81 -4.345 17.049 -5.950 614 HG3 ARG 81 HG3 ARG 81 -4.902 15.701 -4.958 615 HD2 ARG 81 HD2 ARG 81 -5.911 17.773 -4.159 616 HD3 ARG 81 HD3 ARG 81 -4.753 17.190 -2.947 617 HE ARG 81 HE ARG 81 -3.477 18.976 -4.735 618 HH11 ARG 81 HH11 ARG 81 -5.601 18.831 -2.005 619 HH12 ARG 81 HH12 ARG 81 -5.122 20.386 -1.396 620 HH21 ARG 81 HH21 ARG 81 -2.658 20.826 -3.655 621 HH22 ARG 81 HH22 ARG 81 -3.820 21.745 -2.745 622 H GLN 82 H GLN 82 -0.474 16.154 -7.001 623 HA GLN 82 HA GLN 82 1.637 14.770 -5.462 624 HB2 GLN 82 HB2 GLN 82 1.558 15.520 -8.391 625 HB3 GLN 82 HB3 GLN 82 2.969 14.851 -7.565 626 HG2 GLN 82 HG2 GLN 82 0.235 13.524 -7.735 627 HG3 GLN 82 HG3 GLN 82 1.620 13.102 -8.735 628 HE21 GLN 82 HE21 GLN 82 -0.009 12.015 -6.057 629 HE22 GLN 82 HE22 GLN 82 1.264 11.087 -5.427 630 H LYS 83 H LYS 83 2.049 16.245 -4.066 631 HA LYS 83 HA LYS 83 3.662 18.554 -4.945 632 HB2 LYS 83 HB2 LYS 83 1.538 19.219 -3.783 633 HB3 LYS 83 HB3 LYS 83 2.032 18.269 -2.385 634 HG2 LYS 83 HG2 LYS 83 3.998 19.710 -2.076 635 HG3 LYS 83 HG3 LYS 83 3.569 20.629 -3.521 636 HD2 LYS 83 HD2 LYS 83 1.432 21.274 -2.448 637 HD3 LYS 83 HD3 LYS 83 1.883 20.370 -1.005 638 HE2 LYS 83 HE2 LYS 83 3.865 21.825 -0.709 639 HE3 LYS 83 HE3 LYS 83 3.404 22.717 -2.162 640 HZ1 LYS 83 HZ1 LYS 83 1.227 22.529 -0.373 641 HZ2 LYS 83 HZ2 LYS 83 1.962 23.909 -1.033 642 HZ3 LYS 83 HZ3 LYS 83 2.583 23.221 0.390 643 H ARG 84 H ARG 84 5.354 18.796 -2.680 644 HA ARG 84 HA ARG 84 6.413 16.008 -2.462 645 HB2 ARG 84 HB2 ARG 84 7.290 18.749 -1.419 646 HB3 ARG 84 HB3 ARG 84 8.177 17.252 -1.153 647 HG2 ARG 84 HG2 ARG 84 8.624 17.057 -3.564 648 HG3 ARG 84 HG3 ARG 84 7.661 18.514 -3.863 649 HD2 ARG 84 HD2 ARG 84 9.169 19.800 -2.424 650 HD3 ARG 84 HD3 ARG 84 10.167 18.374 -2.143 651 HE ARG 84 HE ARG 84 10.013 19.969 -4.576 652 HH11 ARG 84 HH11 ARG 84 11.177 17.078 -3.035 653 HH12 ARG 84 HH12 ARG 84 12.529 16.947 -4.118 654 HH21 ARG 84 HH21 ARG 84 11.736 19.668 -6.010 655 HH22 ARG 84 HH22 ARG 84 12.676 18.223 -5.929 656 H MET 85 H MET 85 3.822 16.590 -1.510 657 HA MET 85 HA MET 85 4.419 14.987 0.857 658 HB2 MET 85 HB2 MET 85 3.662 17.153 1.718 659 HB3 MET 85 HB3 MET 85 2.298 17.138 0.605 660 HG2 MET 85 HG2 MET 85 1.075 16.164 2.209 661 HG3 MET 85 HG3 MET 85 2.089 14.731 2.046 662 HE1 MET 85 HE1 MET 85 0.831 14.786 4.398 663 HE2 MET 85 HE2 MET 85 1.857 15.001 5.817 664 HE3 MET 85 HE3 MET 85 2.316 13.849 4.564 665 HA PRO 86 HA PRO 86 1.721 12.842 -2.230 666 HB2 PRO 86 HB2 PRO 86 1.854 10.519 -0.376 667 HB3 PRO 86 HB3 PRO 86 2.196 10.599 -2.110 668 HG2 PRO 86 HG2 PRO 86 4.122 10.349 -0.262 669 HG3 PRO 86 HG3 PRO 86 4.370 11.186 -1.799 670 HD2 PRO 86 HD2 PRO 86 4.046 12.328 0.944 671 HD3 PRO 86 HD3 PRO 86 4.963 12.961 -0.440 672 H HIS 87 H HIS 87 -0.524 12.893 -2.182 673 HA HIS 87 HA HIS 87 -1.958 12.240 0.273 674 HB2 HIS 87 HB2 HIS 87 -1.253 14.712 0.319 675 HB3 HIS 87 HB3 HIS 87 -2.391 14.952 -1.003 676 HD1 HIS 87 HD1 HIS 87 -2.232 13.568 2.515 677 HD2 HIS 87 HD2 HIS 87 -5.103 15.169 -0.063 678 HE1 HIS 87 HE1 HIS 87 -4.509 13.528 3.700 679 HE2 HIS 87 HE2 HIS 87 -6.204 13.589 1.767 680 H ILE 88 H ILE 88 -3.946 11.386 -0.178 681 HA ILE 88 HA ILE 88 -5.145 12.042 -2.789 682 HB ILE 88 HB ILE 88 -6.064 9.793 -3.011 683 HG12 ILE 88 HG12 ILE 88 -4.341 9.022 -0.632 684 HG13 ILE 88 HG13 ILE 88 -6.080 9.288 -0.513 685 HG21 ILE 88 HG21 ILE 88 -3.077 9.681 -2.466 686 HG22 ILE 88 HG22 ILE 88 -3.778 10.410 -3.908 687 HG23 ILE 88 HG23 ILE 88 -3.986 8.687 -3.602 688 HD11 ILE 88 HD11 ILE 88 -5.277 7.478 -2.707 689 HD12 ILE 88 HD12 ILE 88 -6.568 7.315 -1.519 690 HD13 ILE 88 HD13 ILE 88 -4.919 6.864 -1.096 691 H VAL 89 H VAL 89 -7.360 12.378 -2.782 692 HA VAL 89 HA VAL 89 -8.672 12.298 -0.131 693 HB VAL 89 HB VAL 89 -10.112 14.191 -1.064 694 HG11 VAL 89 HG11 VAL 89 -7.922 15.780 -0.802 695 HG12 VAL 89 HG12 VAL 89 -7.314 14.278 -0.102 696 HG13 VAL 89 HG13 VAL 89 -8.756 15.049 0.562 697 HG21 VAL 89 HG21 VAL 89 -7.829 14.936 -2.810 698 HG22 VAL 89 HG22 VAL 89 -9.547 15.283 -3.002 699 HG23 VAL 89 HG23 VAL 89 -8.919 13.696 -3.429 700 H VAL 90 H VAL 90 -10.589 11.274 0.012 701 HA VAL 90 HA VAL 90 -11.700 10.076 -2.460 702 HB VAL 90 HB VAL 90 -11.240 8.833 0.263 703 HG11 VAL 90 HG11 VAL 90 -12.305 6.793 -1.043 704 HG12 VAL 90 HG12 VAL 90 -13.107 8.073 -1.952 705 HG13 VAL 90 HG13 VAL 90 -13.333 7.955 -0.208 706 HG21 VAL 90 HG21 VAL 90 -10.187 7.052 -1.319 707 HG22 VAL 90 HG22 VAL 90 -9.287 8.538 -1.015 708 HG23 VAL 90 HG23 VAL 90 -10.192 8.346 -2.514 709 H LYS 91 H LYS 91 -13.816 10.420 -2.711 710 HA LYS 91 HA LYS 91 -15.418 11.212 -0.355 711 HB2 LYS 91 HB2 LYS 91 -16.930 12.127 -2.417 712 HB3 LYS 91 HB3 LYS 91 -15.829 13.128 -1.494 713 HG2 LYS 91 HG2 LYS 91 -15.090 11.747 -4.075 714 HG3 LYS 91 HG3 LYS 91 -15.655 13.404 -3.976 715 HD2 LYS 91 HD2 LYS 91 -13.718 13.998 -2.580 716 HD3 LYS 91 HD3 LYS 91 -13.105 12.353 -2.680 717 HE2 LYS 91 HE2 LYS 91 -12.969 12.591 -5.162 718 HE3 LYS 91 HE3 LYS 91 -13.531 14.253 -4.993 719 HZ1 LYS 91 HZ1 LYS 91 -11.157 14.238 -5.115 720 HZ2 LYS 91 HZ2 LYS 91 -11.040 13.135 -3.829 721 HZ3 LYS 91 HZ3 LYS 91 -11.630 14.703 -3.552 722 H CYS 92 H CYS 92 -17.046 9.774 0.057 723 HA CYS 92 HA CYS 92 -17.792 7.969 -2.156 724 HB2 CYS 92 HB2 CYS 92 -16.958 6.415 -0.711 725 HB3 CYS 92 HB3 CYS 92 -17.317 7.373 0.713 726 H LEU 93 H LEU 93 -19.874 7.894 -2.726 727 HA LEU 93 HA LEU 93 -21.247 10.313 -2.214 728 HB2 LEU 93 HB2 LEU 93 -21.969 7.875 -3.845 729 HB3 LEU 93 HB3 LEU 93 -22.971 9.327 -3.773 730 HG LEU 93 HG LEU 93 -20.026 9.409 -4.461 731 HD11 LEU 93 HD11 LEU 93 -21.005 8.120 -6.227 732 HD12 LEU 93 HD12 LEU 93 -20.935 9.770 -6.835 733 HD13 LEU 93 HD13 LEU 93 -22.458 9.120 -6.237 734 HD21 LEU 93 HD21 LEU 93 -20.547 11.605 -4.000 735 HD22 LEU 93 HD22 LEU 93 -22.270 11.346 -4.254 736 HD23 LEU 93 HD23 LEU 93 -21.201 11.558 -5.635 737 H GLU 94 H GLU 94 -21.682 7.049 -0.965 738 HA GLU 94 HA GLU 94 -24.406 7.454 -0.198 739 HB2 GLU 94 HB2 GLU 94 -23.109 5.452 1.457 740 HB3 GLU 94 HB3 GLU 94 -24.416 5.280 0.294 741 HG2 GLU 94 HG2 GLU 94 -21.460 5.355 -0.372 742 HG3 GLU 94 HG3 GLU 94 -22.475 3.921 -0.358 743 H CYS 95 H CYS 95 -21.271 7.836 1.435 744 HA CYS 95 HA CYS 95 -22.575 8.703 3.894 745 HB2 CYS 95 HB2 CYS 95 -20.239 9.675 4.407 746 HB3 CYS 95 HB3 CYS 95 -20.476 7.938 4.488 747 H GLY 96 H GLY 96 -21.315 10.031 0.881 748 HA2 GLY 96 HA2 GLY 96 -21.594 12.138 -0.037 749 HA3 GLY 96 HA3 GLY 96 -22.476 12.631 1.403 750 H HIS 97 H HIS 97 -19.379 11.148 1.875 751 HA HIS 97 HA HIS 97 -18.456 13.767 2.867 752 HB2 HIS 97 HB2 HIS 97 -18.324 11.102 4.275 753 HB3 HIS 97 HB3 HIS 97 -17.477 12.550 4.806 754 HD1 HIS 97 HD1 HIS 97 -19.216 14.771 4.843 755 HD2 HIS 97 HD2 HIS 97 -20.496 11.036 6.107 756 HE1 HIS 97 HE1 HIS 97 -21.467 15.111 5.995 757 HE2 HIS 97 HE2 HIS 97 -22.500 12.788 6.226 758 H ILE 98 H ILE 98 -16.303 14.171 2.948 759 HA ILE 98 HA ILE 98 -14.629 12.625 1.108 760 HB ILE 98 HB ILE 98 -14.854 15.031 0.729 761 HG12 ILE 98 HG12 ILE 98 -12.451 15.639 0.724 762 HG13 ILE 98 HG13 ILE 98 -12.102 14.245 1.738 763 HG21 ILE 98 HG21 ILE 98 -13.744 16.583 2.412 764 HG22 ILE 98 HG22 ILE 98 -13.791 15.244 3.560 765 HG23 ILE 98 HG23 ILE 98 -15.293 15.898 2.905 766 HD11 ILE 98 HD11 ILE 98 -13.639 13.370 -0.537 767 HD12 ILE 98 HD12 ILE 98 -11.993 12.933 -0.075 768 HD13 ILE 98 HD13 ILE 98 -12.282 14.348 -1.091 769 H MET 99 H MET 99 -13.103 11.404 1.697 770 HA MET 99 HA MET 99 -12.025 11.499 4.450 771 HB2 MET 99 HB2 MET 99 -12.217 9.239 2.424 772 HB3 MET 99 HB3 MET 99 -11.363 9.117 3.963 773 HG2 MET 99 HG2 MET 99 -13.430 9.558 5.189 774 HG3 MET 99 HG3 MET 99 -14.303 9.812 3.677 775 HE1 MET 99 HE1 MET 99 -11.597 6.870 4.630 776 HE2 MET 99 HE2 MET 99 -12.786 5.922 5.520 777 HE3 MET 99 HE3 MET 99 -12.439 7.585 6.002 778 H ARG 100 H ARG 100 -9.864 11.756 4.713 779 HA ARG 100 HA ARG 100 -8.247 12.220 2.282 780 HB2 ARG 100 HB2 ARG 100 -7.919 13.138 5.153 781 HB3 ARG 100 HB3 ARG 100 -6.710 13.393 3.894 782 HG2 ARG 100 HG2 ARG 100 -8.362 14.657 2.555 783 HG3 ARG 100 HG3 ARG 100 -9.585 14.364 3.784 784 HD2 ARG 100 HD2 ARG 100 -8.236 15.591 5.433 785 HD3 ARG 100 HD3 ARG 100 -7.003 15.898 4.217 786 HE ARG 100 HE ARG 100 -9.650 17.133 4.367 787 HH11 ARG 100 HH11 ARG 100 -6.617 16.807 2.735 788 HH12 ARG 100 HH12 ARG 100 -6.889 18.147 1.678 789 HH21 ARG 100 HH21 ARG 100 -10.130 18.661 2.765 790 HH22 ARG 100 HH22 ARG 100 -8.817 19.352 1.873 791 H TYR 101 H TYR 101 -6.531 10.963 1.846 792 HA TYR 101 HA TYR 101 -5.504 9.167 3.962 793 HB2 TYR 101 HB2 TYR 101 -6.624 8.458 1.426 794 HB3 TYR 101 HB3 TYR 101 -4.907 8.072 1.395 795 HD1 TYR 101 HD1 TYR 101 -8.125 7.470 3.152 796 HD2 TYR 101 HD2 TYR 101 -4.071 6.185 2.563 797 HE1 TYR 101 HE1 TYR 101 -8.564 5.459 4.526 798 HE2 TYR 101 HE2 TYR 101 -4.529 4.149 3.895 799 HH TYR 101 HH TYR 101 -6.286 3.674 5.936 800 HA PRO 102 HA PRO 102 -1.801 11.552 2.707 801 HB2 PRO 102 HB2 PRO 102 -0.551 11.349 5.104 802 HB3 PRO 102 HB3 PRO 102 -1.824 12.548 4.795 803 HG2 PRO 102 HG2 PRO 102 -1.994 9.921 6.200 804 HG3 PRO 102 HG3 PRO 102 -2.701 11.480 6.650 805 HD2 PRO 102 HD2 PRO 102 -4.070 9.451 5.367 806 HD3 PRO 102 HD3 PRO 102 -4.538 11.155 5.276 807 H TYR 103 H TYR 103 0.202 10.750 2.129 808 HA TYR 103 HA TYR 103 1.031 8.133 3.115 809 HB2 TYR 103 HB2 TYR 103 -0.285 7.678 1.059 810 HB3 TYR 103 HB3 TYR 103 0.810 8.699 0.140 811 HD1 TYR 103 HD1 TYR 103 0.554 5.563 2.110 812 HD2 TYR 103 HD2 TYR 103 3.065 7.944 -0.428 813 HE1 TYR 103 HE1 TYR 103 2.006 3.616 1.736 814 HE2 TYR 103 HE2 TYR 103 4.592 6.018 -0.699 815 HH TYR 103 HH TYR 103 4.362 3.239 1.233 816 H ILE 104 H ILE 104 3.371 7.786 2.719 817 HA ILE 104 HA ILE 104 4.817 10.320 2.234 818 HB ILE 104 HB ILE 104 5.564 8.042 4.072 819 HG12 ILE 104 HG12 ILE 104 4.961 10.946 4.670 820 HG13 ILE 104 HG13 ILE 104 3.753 9.672 4.826 821 HG21 ILE 104 HG21 ILE 104 7.555 8.958 3.038 822 HG22 ILE 104 HG22 ILE 104 7.454 9.613 4.674 823 HG23 ILE 104 HG23 ILE 104 6.976 10.608 3.296 824 HD11 ILE 104 HD11 ILE 104 4.614 9.861 7.004 825 HD12 ILE 104 HD12 ILE 104 6.263 10.090 6.426 826 HD13 ILE 104 HD13 ILE 104 5.511 8.493 6.346 827 H LYS 105 H LYS 105 6.246 10.316 0.687 828 HA LYS 105 HA LYS 105 6.547 9.317 -1.546 829 HB2 LYS 105 HB2 LYS 105 8.903 9.240 0.350 830 HB3 LYS 105 HB3 LYS 105 9.046 9.088 -1.399 831 HG2 LYS 105 HG2 LYS 105 7.978 11.297 -1.685 832 HG3 LYS 105 HG3 LYS 105 7.806 11.434 0.064 833 HD2 LYS 105 HD2 LYS 105 10.246 11.350 0.329 834 HD3 LYS 105 HD3 LYS 105 10.447 11.187 -1.415 835 HE2 LYS 105 HE2 LYS 105 9.361 13.388 -1.740 836 HE3 LYS 105 HE3 LYS 105 9.165 13.545 0.009 837 HZ1 LYS 105 HZ1 LYS 105 11.497 13.544 0.307 838 HZ2 LYS 105 HZ2 LYS 105 11.147 14.684 -0.905 839 HZ3 LYS 105 HZ3 LYS 105 11.784 13.164 -1.325 Start of MODEL 10 1 H LYS 15 H LYS 15 -19.364 -18.953 4.215 2 HA LYS 15 HA LYS 15 -17.645 -16.817 3.258 3 HB2 LYS 15 HB2 LYS 15 -16.830 -18.978 4.204 4 HB3 LYS 15 HB3 LYS 15 -17.637 -19.832 2.896 5 HG2 LYS 15 HG2 LYS 15 -16.241 -18.658 1.250 6 HG3 LYS 15 HG3 LYS 15 -15.458 -17.747 2.537 7 HD2 LYS 15 HD2 LYS 15 -14.636 -19.870 3.520 8 HD3 LYS 15 HD3 LYS 15 -15.401 -20.761 2.211 9 HE2 LYS 15 HE2 LYS 15 -13.987 -19.599 0.567 10 HE3 LYS 15 HE3 LYS 15 -13.235 -18.668 1.857 11 HZ1 LYS 15 HZ1 LYS 15 -12.821 -21.415 1.074 12 HZ2 LYS 15 HZ2 LYS 15 -12.906 -21.159 2.747 13 HZ3 LYS 15 HZ3 LYS 15 -11.756 -20.329 1.823 14 H GLU 16 H GLU 16 -19.469 -19.539 1.821 15 HA GLU 16 HA GLU 16 -19.224 -18.633 -0.830 16 HB2 GLU 16 HB2 GLU 16 -21.252 -20.471 0.453 17 HB3 GLU 16 HB3 GLU 16 -21.140 -20.206 -1.287 18 HG2 GLU 16 HG2 GLU 16 -18.832 -21.023 -1.298 19 HG3 GLU 16 HG3 GLU 16 -18.874 -21.223 0.452 20 H ARG 17 H ARG 17 -21.856 -18.169 1.554 21 HA ARG 17 HA ARG 17 -23.664 -16.851 -0.079 22 HB2 ARG 17 HB2 ARG 17 -22.983 -16.395 2.848 23 HB3 ARG 17 HB3 ARG 17 -24.373 -15.667 2.059 24 HG2 ARG 17 HG2 ARG 17 -25.297 -17.894 1.583 25 HG3 ARG 17 HG3 ARG 17 -23.880 -18.648 2.320 26 HD2 ARG 17 HD2 ARG 17 -24.420 -17.538 4.473 27 HD3 ARG 17 HD3 ARG 17 -25.815 -16.777 3.719 28 HE ARG 17 HE ARG 17 -26.929 -18.840 3.697 29 HH11 ARG 17 HH11 ARG 17 -23.677 -19.215 4.868 30 HH12 ARG 17 HH12 ARG 17 -24.064 -20.589 5.860 31 HH21 ARG 17 HH21 ARG 17 -27.392 -20.668 4.902 32 HH22 ARG 17 HH22 ARG 17 -26.171 -21.383 5.902 33 H ILE 18 H ILE 18 -21.082 -15.465 1.919 34 HA ILE 18 HA ILE 18 -21.411 -12.775 1.150 35 HB ILE 18 HB ILE 18 -19.028 -14.279 2.248 36 HG12 ILE 18 HG12 ILE 18 -20.933 -12.290 3.520 37 HG13 ILE 18 HG13 ILE 18 -21.178 -14.031 3.578 38 HG21 ILE 18 HG21 ILE 18 -19.437 -11.313 1.750 39 HG22 ILE 18 HG22 ILE 18 -18.136 -12.326 1.123 40 HG23 ILE 18 HG23 ILE 18 -18.213 -11.948 2.842 41 HD11 ILE 18 HD11 ILE 18 -19.998 -13.899 5.506 42 HD12 ILE 18 HD12 ILE 18 -19.273 -12.352 5.078 43 HD13 ILE 18 HD13 ILE 18 -18.594 -13.854 4.447 44 H ASP 19 H ASP 19 -19.442 -15.392 -0.139 45 HA ASP 19 HA ASP 19 -17.905 -13.906 -1.977 46 HB2 ASP 19 HB2 ASP 19 -17.371 -16.185 -1.217 47 HB3 ASP 19 HB3 ASP 19 -18.799 -16.797 -2.032 48 H ILE 20 H ILE 20 -20.886 -15.807 -2.449 49 HA ILE 20 HA ILE 20 -21.352 -15.025 -5.118 50 HB ILE 20 HB ILE 20 -23.193 -16.001 -2.938 51 HG12 ILE 20 HG12 ILE 20 -21.455 -17.561 -3.699 52 HG13 ILE 20 HG13 ILE 20 -23.060 -18.115 -4.163 53 HG21 ILE 20 HG21 ILE 20 -23.764 -15.232 -5.787 54 HG22 ILE 20 HG22 ILE 20 -24.718 -14.934 -4.334 55 HG23 ILE 20 HG23 ILE 20 -24.669 -16.552 -5.030 56 HD11 ILE 20 HD11 ILE 20 -22.081 -18.412 -6.191 57 HD12 ILE 20 HD12 ILE 20 -20.781 -17.273 -5.852 58 HD13 ILE 20 HD13 ILE 20 -22.356 -16.688 -6.386 59 H LEU 21 H LEU 21 -22.460 -13.655 -2.051 60 HA LEU 21 HA LEU 21 -24.095 -11.636 -3.126 61 HB2 LEU 21 HB2 LEU 21 -24.244 -12.315 -0.794 62 HB3 LEU 21 HB3 LEU 21 -22.612 -11.723 -0.492 63 HG LEU 21 HG LEU 21 -23.328 -9.429 -0.993 64 HD11 LEU 21 HD11 LEU 21 -25.008 -9.588 -2.629 65 HD12 LEU 21 HD12 LEU 21 -25.923 -9.148 -1.190 66 HD13 LEU 21 HD13 LEU 21 -25.899 -10.824 -1.734 67 HD21 LEU 21 HD21 LEU 21 -24.551 -9.052 0.984 68 HD22 LEU 21 HD22 LEU 21 -23.717 -10.580 1.302 69 HD23 LEU 21 HD23 LEU 21 -25.422 -10.582 0.847 70 H PHE 22 H PHE 22 -20.652 -11.733 -2.352 71 HA PHE 22 HA PHE 22 -20.036 -9.019 -2.584 72 HB2 PHE 22 HB2 PHE 22 -18.498 -10.702 -1.671 73 HB3 PHE 22 HB3 PHE 22 -18.364 -11.457 -3.254 74 HD1 PHE 22 HD1 PHE 22 -17.675 -8.276 -1.397 75 HD2 PHE 22 HD2 PHE 22 -16.504 -10.961 -4.496 76 HE1 PHE 22 HE1 PHE 22 -15.676 -6.890 -1.866 77 HE2 PHE 22 HE2 PHE 22 -14.872 -9.244 -5.340 78 HZ PHE 22 HZ PHE 22 -14.039 -7.700 -3.542 79 H SER 23 H SER 23 -20.084 -11.570 -5.097 80 HA SER 23 HA SER 23 -19.065 -9.933 -7.204 81 HB2 SER 23 HB2 SER 23 -19.989 -11.680 -8.686 82 HB3 SER 23 HB3 SER 23 -19.068 -12.385 -7.356 83 HG SER 23 HG SER 23 -21.650 -12.709 -7.992 84 H LEU 24 H LEU 24 -22.322 -10.767 -6.086 85 HA LEU 24 HA LEU 24 -23.792 -9.312 -8.001 86 HB2 LEU 24 HB2 LEU 24 -24.436 -10.174 -5.173 87 HB3 LEU 24 HB3 LEU 24 -25.611 -9.408 -6.246 88 HG LEU 24 HG LEU 24 -24.047 -11.898 -6.982 89 HD11 LEU 24 HD11 LEU 24 -25.360 -12.947 -5.475 90 HD12 LEU 24 HD12 LEU 24 -26.648 -12.705 -6.655 91 HD13 LEU 24 HD13 LEU 24 -26.454 -11.567 -5.321 92 HD21 LEU 24 HD21 LEU 24 -24.797 -11.009 -8.992 93 HD22 LEU 24 HD22 LEU 24 -26.234 -10.291 -8.259 94 HD23 LEU 24 HD23 LEU 24 -26.162 -12.033 -8.548 95 H ALA 25 H ALA 25 -22.608 -8.409 -4.791 96 HA ALA 25 HA ALA 25 -23.554 -5.768 -4.744 97 HB1 ALA 25 HB1 ALA 25 -22.578 -7.003 -2.797 98 HB2 ALA 25 HB2 ALA 25 -21.928 -5.378 -3.005 99 HB3 ALA 25 HB3 ALA 25 -20.983 -6.780 -3.507 100 H GLU 26 H GLU 26 -20.588 -7.173 -6.054 101 HA GLU 26 HA GLU 26 -19.351 -4.785 -6.831 102 HB2 GLU 26 HB2 GLU 26 -18.238 -6.998 -6.735 103 HB3 GLU 26 HB3 GLU 26 -19.159 -7.499 -8.149 104 HG2 GLU 26 HG2 GLU 26 -18.141 -5.731 -9.494 105 HG3 GLU 26 HG3 GLU 26 -17.263 -5.139 -8.093 106 H ARG 27 H ARG 27 -21.571 -6.898 -8.726 107 HA ARG 27 HA ARG 27 -21.367 -5.375 -11.082 108 HB2 ARG 27 HB2 ARG 27 -22.342 -7.645 -11.039 109 HB3 ARG 27 HB3 ARG 27 -23.753 -7.016 -10.186 110 HG2 ARG 27 HG2 ARG 27 -24.170 -5.456 -12.086 111 HG3 ARG 27 HG3 ARG 27 -22.784 -6.147 -12.929 112 HD2 ARG 27 HD2 ARG 27 -24.829 -7.185 -13.756 113 HD3 ARG 27 HD3 ARG 27 -23.894 -8.374 -12.851 114 HE ARG 27 HE ARG 27 -25.569 -8.401 -11.231 115 HH11 ARG 27 HH11 ARG 27 -26.001 -5.656 -13.328 116 HH12 ARG 27 HH12 ARG 27 -27.662 -5.425 -12.877 117 HH21 ARG 27 HH21 ARG 27 -27.604 -7.695 -10.348 118 HH22 ARG 27 HH22 ARG 27 -28.651 -6.875 -11.452 119 H VAL 28 H VAL 28 -23.722 -5.170 -8.431 120 HA VAL 28 HA VAL 28 -25.299 -3.120 -9.569 121 HB VAL 28 HB VAL 28 -26.089 -4.562 -7.758 122 HG11 VAL 28 HG11 VAL 28 -23.915 -4.622 -6.527 123 HG12 VAL 28 HG12 VAL 28 -25.310 -4.319 -5.488 124 HG13 VAL 28 HG13 VAL 28 -24.240 -2.991 -5.948 125 HG21 VAL 28 HG21 VAL 28 -26.270 -1.633 -7.729 126 HG22 VAL 28 HG22 VAL 28 -26.611 -2.369 -6.161 127 HG23 VAL 28 HG23 VAL 28 -27.539 -2.850 -7.577 128 H PHE 29 H PHE 29 -22.462 -3.140 -7.564 129 HA PHE 29 HA PHE 29 -22.332 -0.676 -6.531 130 HB2 PHE 29 HB2 PHE 29 -20.736 -2.248 -5.920 131 HB3 PHE 29 HB3 PHE 29 -20.213 -2.520 -7.570 132 HD1 PHE 29 HD1 PHE 29 -20.727 0.719 -5.804 133 HD2 PHE 29 HD2 PHE 29 -17.938 -2.289 -6.911 134 HE1 PHE 29 HE1 PHE 29 -18.798 2.315 -5.782 135 HE2 PHE 29 HE2 PHE 29 -16.095 -0.901 -6.055 136 HZ PHE 29 HZ PHE 29 -16.559 1.418 -5.311 137 HA PRO 30 HA PRO 30 -20.376 1.419 -10.496 138 HB2 PRO 30 HB2 PRO 30 -20.652 -0.027 -12.824 139 HB3 PRO 30 HB3 PRO 30 -19.184 0.004 -11.833 140 HG2 PRO 30 HG2 PRO 30 -21.357 -2.038 -11.950 141 HG3 PRO 30 HG3 PRO 30 -19.605 -2.264 -11.825 142 HD2 PRO 30 HD2 PRO 30 -21.274 -2.481 -9.681 143 HD3 PRO 30 HD3 PRO 30 -19.602 -1.900 -9.520 144 H TYR 31 H TYR 31 -23.196 -0.680 -10.747 145 HA TYR 31 HA TYR 31 -24.626 0.849 -12.679 146 HB2 TYR 31 HB2 TYR 31 -25.351 -1.285 -10.709 147 HB3 TYR 31 HB3 TYR 31 -26.629 -0.378 -11.506 148 HD1 TYR 31 HD1 TYR 31 -23.286 -1.327 -12.921 149 HD2 TYR 31 HD2 TYR 31 -27.527 -2.002 -12.981 150 HE1 TYR 31 HE1 TYR 31 -23.071 -2.600 -15.013 151 HE2 TYR 31 HE2 TYR 31 -27.262 -3.220 -15.134 152 HH TYR 31 HH TYR 31 -24.164 -4.592 -16.011 153 H SER 32 H SER 32 -24.528 0.912 -9.149 154 HA SER 32 HA SER 32 -25.540 3.580 -9.025 155 HB2 SER 32 HB2 SER 32 -27.730 3.003 -9.193 156 HB3 SER 32 HB3 SER 32 -27.431 1.324 -8.761 157 HG SER 32 HG SER 32 -27.110 2.100 -6.584 158 HA PRO 33 HA PRO 33 -23.141 3.061 -5.194 159 HB2 PRO 33 HB2 PRO 33 -24.429 5.723 -4.729 160 HB3 PRO 33 HB3 PRO 33 -22.729 5.243 -4.573 161 HG2 PRO 33 HG2 PRO 33 -23.540 6.713 -6.616 162 HG3 PRO 33 HG3 PRO 33 -22.320 5.444 -6.825 163 HD2 PRO 33 HD2 PRO 33 -25.225 5.403 -7.574 164 HD3 PRO 33 HD3 PRO 33 -23.826 4.705 -8.425 165 H GLU 34 H GLU 34 -26.475 4.308 -5.381 166 HA GLU 34 HA GLU 34 -27.064 3.894 -2.645 167 HB2 GLU 34 HB2 GLU 34 -28.840 4.290 -5.053 168 HB3 GLU 34 HB3 GLU 34 -29.460 4.203 -3.406 169 HG2 GLU 34 HG2 GLU 34 -28.068 6.099 -2.752 170 HG3 GLU 34 HG3 GLU 34 -27.353 6.167 -4.355 171 H LEU 35 H LEU 35 -27.962 1.987 -5.521 172 HA LEU 35 HA LEU 35 -29.329 -0.020 -4.171 173 HB2 LEU 35 HB2 LEU 35 -27.812 -0.127 -6.781 174 HB3 LEU 35 HB3 LEU 35 -28.807 -1.452 -6.182 175 HG LEU 35 HG LEU 35 -29.853 1.365 -6.565 176 HD11 LEU 35 HD11 LEU 35 -29.546 -0.920 -8.458 177 HD12 LEU 35 HD12 LEU 35 -29.522 0.811 -8.783 178 HD13 LEU 35 HD13 LEU 35 -31.055 -0.018 -8.530 179 HD21 LEU 35 HD21 LEU 35 -31.406 0.388 -5.174 180 HD22 LEU 35 HD22 LEU 35 -31.015 -1.246 -5.699 181 HD23 LEU 35 HD23 LEU 35 -32.012 -0.206 -6.715 182 H ALA 36 H ALA 36 -25.955 0.280 -4.975 183 HA ALA 36 HA ALA 36 -25.003 -2.191 -4.060 184 HB1 ALA 36 HB1 ALA 36 -23.365 0.327 -3.921 185 HB2 ALA 36 HB2 ALA 36 -23.867 -0.344 -5.477 186 HB3 ALA 36 HB3 ALA 36 -22.870 -1.309 -4.383 187 H LYS 37 H LYS 37 -25.631 0.824 -2.423 188 HA LYS 37 HA LYS 37 -24.394 0.406 0.057 189 HB2 LYS 37 HB2 LYS 37 -25.380 2.530 -0.664 190 HB3 LYS 37 HB3 LYS 37 -26.972 1.794 -0.721 191 HG2 LYS 37 HG2 LYS 37 -26.801 3.082 1.282 192 HG3 LYS 37 HG3 LYS 37 -26.891 1.385 1.700 193 HD2 LYS 37 HD2 LYS 37 -24.533 1.328 2.241 194 HD3 LYS 37 HD3 LYS 37 -24.300 2.962 1.614 195 HE2 LYS 37 HE2 LYS 37 -26.147 2.230 3.909 196 HE3 LYS 37 HE3 LYS 37 -24.562 2.971 4.099 197 HZ1 LYS 37 HZ1 LYS 37 -25.978 4.469 2.232 198 HZ2 LYS 37 HZ2 LYS 37 -25.509 4.926 3.800 199 HZ3 LYS 37 HZ3 LYS 37 -27.020 4.197 3.544 200 H ARG 38 H ARG 38 -27.709 -0.457 -1.007 201 HA ARG 38 HA ARG 38 -28.459 -1.673 1.437 202 HB2 ARG 38 HB2 ARG 38 -30.029 -0.914 -0.304 203 HB3 ARG 38 HB3 ARG 38 -29.454 -2.191 -1.370 204 HG2 ARG 38 HG2 ARG 38 -30.205 -3.896 0.228 205 HG3 ARG 38 HG3 ARG 38 -30.748 -2.638 1.338 206 HD2 ARG 38 HD2 ARG 38 -32.259 -1.786 -0.492 207 HD3 ARG 38 HD3 ARG 38 -31.783 -3.176 -1.460 208 HE ARG 38 HE ARG 38 -32.982 -4.588 0.014 209 HH11 ARG 38 HH11 ARG 38 -33.004 -1.289 1.149 210 HH12 ARG 38 HH12 ARG 38 -34.661 -1.366 1.650 211 HH21 ARG 38 HH21 ARG 38 -34.633 -4.865 1.520 212 HH22 ARG 38 HH22 ARG 38 -35.170 -3.520 2.463 213 H TYR 39 H TYR 39 -27.037 -3.042 -1.537 214 HA TYR 39 HA TYR 39 -27.133 -5.724 -0.702 215 HB2 TYR 39 HB2 TYR 39 -25.453 -4.309 -2.750 216 HB3 TYR 39 HB3 TYR 39 -25.269 -6.032 -2.433 217 HD1 TYR 39 HD1 TYR 39 -27.208 -7.561 -2.672 218 HD2 TYR 39 HD2 TYR 39 -27.201 -3.564 -4.198 219 HE1 TYR 39 HE1 TYR 39 -29.215 -8.078 -4.021 220 HE2 TYR 39 HE2 TYR 39 -29.133 -4.102 -5.633 221 HH TYR 39 HH TYR 39 -31.177 -6.226 -5.204 222 H VAL 40 H VAL 40 -24.433 -3.404 -0.394 223 HA VAL 40 HA VAL 40 -22.643 -5.282 0.742 224 HB VAL 40 HB VAL 40 -22.721 -2.279 1.012 225 HG11 VAL 40 HG11 VAL 40 -21.447 -3.192 2.854 226 HG12 VAL 40 HG12 VAL 40 -20.293 -2.610 1.655 227 HG13 VAL 40 HG13 VAL 40 -20.634 -4.333 1.790 228 HG21 VAL 40 HG21 VAL 40 -21.712 -4.189 -1.016 229 HG22 VAL 40 HG22 VAL 40 -20.589 -2.908 -0.564 230 HG23 VAL 40 HG23 VAL 40 -22.175 -2.499 -1.196 231 H GLU 41 H GLU 41 -24.995 -3.054 2.115 232 HA GLU 41 HA GLU 41 -24.216 -3.300 4.818 233 HB2 GLU 41 HB2 GLU 41 -25.550 -1.427 3.913 234 HB3 GLU 41 HB3 GLU 41 -26.904 -2.522 3.656 235 HG2 GLU 41 HG2 GLU 41 -27.006 -2.984 6.068 236 HG3 GLU 41 HG3 GLU 41 -25.619 -1.942 6.339 237 H LEU 42 H LEU 42 -26.495 -4.921 2.777 238 HA LEU 42 HA LEU 42 -27.472 -6.925 4.473 239 HB2 LEU 42 HB2 LEU 42 -28.399 -6.520 2.314 240 HB3 LEU 42 HB3 LEU 42 -26.853 -6.773 1.525 241 HG LEU 42 HG LEU 42 -26.918 -9.162 2.161 242 HD11 LEU 42 HD11 LEU 42 -28.744 -8.475 4.091 243 HD12 LEU 42 HD12 LEU 42 -28.499 -10.108 3.475 244 HD13 LEU 42 HD13 LEU 42 -29.798 -9.118 2.830 245 HD21 LEU 42 HD21 LEU 42 -28.676 -9.768 0.553 246 HD22 LEU 42 HD22 LEU 42 -27.794 -8.341 -0.002 247 HD23 LEU 42 HD23 LEU 42 -29.392 -8.162 0.716 248 H ALA 43 H ALA 43 -24.429 -6.882 2.528 249 HA ALA 43 HA ALA 43 -23.756 -9.544 3.146 250 HB1 ALA 43 HB1 ALA 43 -22.087 -9.115 1.721 251 HB2 ALA 43 HB2 ALA 43 -21.358 -7.987 2.861 252 HB3 ALA 43 HB3 ALA 43 -22.557 -7.419 1.705 253 H LEU 44 H LEU 44 -22.948 -6.524 4.821 254 HA LEU 44 HA LEU 44 -21.229 -7.644 6.728 255 HB2 LEU 44 HB2 LEU 44 -22.767 -5.096 6.553 256 HB3 LEU 44 HB3 LEU 44 -21.981 -5.524 8.067 257 HG LEU 44 HG LEU 44 -19.833 -5.824 6.854 258 HD11 LEU 44 HD11 LEU 44 -19.649 -4.925 4.536 259 HD12 LEU 44 HD12 LEU 44 -21.399 -4.800 4.473 260 HD13 LEU 44 HD13 LEU 44 -20.629 -6.379 4.615 261 HD21 LEU 44 HD21 LEU 44 -21.278 -3.348 7.252 262 HD22 LEU 44 HD22 LEU 44 -20.124 -3.187 5.931 263 HD23 LEU 44 HD23 LEU 44 -19.571 -3.693 7.522 264 H LEU 45 H LEU 45 -24.747 -7.177 6.909 265 HA LEU 45 HA LEU 45 -25.056 -8.189 9.550 266 HB2 LEU 45 HB2 LEU 45 -26.910 -7.835 7.231 267 HB3 LEU 45 HB3 LEU 45 -27.418 -8.804 8.606 268 HG LEU 45 HG LEU 45 -26.909 -6.882 10.106 269 HD11 LEU 45 HD11 LEU 45 -25.630 -5.203 9.349 270 HD12 LEU 45 HD12 LEU 45 -26.950 -4.720 8.294 271 HD13 LEU 45 HD13 LEU 45 -25.713 -5.818 7.702 272 HD21 LEU 45 HD21 LEU 45 -28.871 -5.504 9.311 273 HD22 LEU 45 HD22 LEU 45 -29.176 -7.236 9.393 274 HD23 LEU 45 HD23 LEU 45 -28.867 -6.468 7.837 275 H VAL 46 H VAL 46 -25.095 -9.758 6.353 276 HA VAL 46 HA VAL 46 -25.511 -12.390 7.290 277 HB VAL 46 HB VAL 46 -24.098 -11.324 4.843 278 HG11 VAL 46 HG11 VAL 46 -24.637 -13.786 4.064 279 HG12 VAL 46 HG12 VAL 46 -24.571 -14.137 5.789 280 HG13 VAL 46 HG13 VAL 46 -23.163 -13.465 4.974 281 HG21 VAL 46 HG21 VAL 46 -26.164 -11.844 3.726 282 HG22 VAL 46 HG22 VAL 46 -26.590 -10.951 5.177 283 HG23 VAL 46 HG23 VAL 46 -26.776 -12.704 5.136 284 H GLN 47 H GLN 47 -22.544 -10.501 6.805 285 HA GLN 47 HA GLN 47 -20.704 -12.587 7.196 286 HB2 GLN 47 HB2 GLN 47 -20.195 -10.378 6.202 287 HB3 GLN 47 HB3 GLN 47 -20.433 -9.622 7.775 288 HG2 GLN 47 HG2 GLN 47 -18.568 -11.007 8.686 289 HG3 GLN 47 HG3 GLN 47 -18.314 -11.680 7.077 290 HE21 GLN 47 HE21 GLN 47 -16.353 -10.716 6.451 291 HE22 GLN 47 HE22 GLN 47 -16.234 -9.052 6.163 292 H GLN 48 H GLN 48 -21.915 -10.144 9.547 293 HA GLN 48 HA GLN 48 -20.556 -11.224 11.742 294 HB2 GLN 48 HB2 GLN 48 -22.044 -9.931 13.157 295 HB3 GLN 48 HB3 GLN 48 -21.509 -8.976 11.780 296 HG2 GLN 48 HG2 GLN 48 -23.652 -9.490 10.628 297 HG3 GLN 48 HG3 GLN 48 -24.184 -10.386 12.046 298 HE21 GLN 48 HE21 GLN 48 -25.987 -8.615 11.863 299 HE22 GLN 48 HE22 GLN 48 -25.733 -7.381 12.996 300 H LYS 49 H LYS 49 -23.855 -11.904 10.586 301 HA LYS 49 HA LYS 49 -24.537 -13.720 12.621 302 HB2 LYS 49 HB2 LYS 49 -25.439 -13.616 9.735 303 HB3 LYS 49 HB3 LYS 49 -26.177 -14.629 10.966 304 HG2 LYS 49 HG2 LYS 49 -25.993 -11.610 11.116 305 HG3 LYS 49 HG3 LYS 49 -27.410 -12.499 10.582 306 HD2 LYS 49 HD2 LYS 49 -27.541 -13.603 12.793 307 HD3 LYS 49 HD3 LYS 49 -26.131 -12.693 13.326 308 HE2 LYS 49 HE2 LYS 49 -27.326 -10.580 12.974 309 HE3 LYS 49 HE3 LYS 49 -28.734 -11.457 12.380 310 HZ1 LYS 49 HZ1 LYS 49 -28.741 -10.749 14.800 311 HZ2 LYS 49 HZ2 LYS 49 -27.585 -11.963 15.059 312 HZ3 LYS 49 HZ3 LYS 49 -29.126 -12.371 14.479 313 H ALA 50 H ALA 50 -22.991 -14.233 9.473 314 HA ALA 50 HA ALA 50 -22.582 -17.034 9.865 315 HB1 ALA 50 HB1 ALA 50 -21.107 -15.218 7.953 316 HB2 ALA 50 HB2 ALA 50 -22.724 -15.846 7.647 317 HB3 ALA 50 HB3 ALA 50 -21.361 -16.956 7.809 318 H LYS 51 H LYS 51 -20.996 -14.303 11.142 319 HA LYS 51 HA LYS 51 -19.011 -13.980 12.221 320 HB2 LYS 51 HB2 LYS 51 -19.623 -16.850 12.953 321 HB3 LYS 51 HB3 LYS 51 -18.337 -15.905 13.698 322 HG2 LYS 51 HG2 LYS 51 -19.962 -14.226 14.445 323 HG3 LYS 51 HG3 LYS 51 -21.261 -15.138 13.678 324 HD2 LYS 51 HD2 LYS 51 -20.785 -17.065 15.135 325 HD3 LYS 51 HD3 LYS 51 -19.476 -16.170 15.906 326 HE2 LYS 51 HE2 LYS 51 -22.387 -15.289 15.872 327 HE3 LYS 51 HE3 LYS 51 -21.609 -16.126 17.219 328 HZ1 LYS 51 HZ1 LYS 51 -21.465 -13.848 17.698 329 HZ2 LYS 51 HZ2 LYS 51 -20.953 -13.459 16.126 330 HZ3 LYS 51 HZ3 LYS 51 -19.915 -14.303 17.171 331 H VAL 52 H VAL 52 -18.389 -14.171 9.652 332 HA VAL 52 HA VAL 52 -15.983 -15.891 9.620 333 HB VAL 52 HB VAL 52 -16.170 -15.929 7.135 334 HG11 VAL 52 HG11 VAL 52 -18.728 -17.076 8.164 335 HG12 VAL 52 HG12 VAL 52 -17.222 -17.626 8.905 336 HG13 VAL 52 HG13 VAL 52 -17.479 -17.825 7.176 337 HG21 VAL 52 HG21 VAL 52 -17.553 -14.114 6.554 338 HG22 VAL 52 HG22 VAL 52 -18.763 -14.527 7.762 339 HG23 VAL 52 HG23 VAL 52 -18.591 -15.517 6.315 340 H LYS 53 H LYS 53 -14.108 -14.886 9.299 341 HA LYS 53 HA LYS 53 -14.182 -11.954 8.949 342 HB2 LYS 53 HB2 LYS 53 -12.060 -13.770 10.117 343 HB3 LYS 53 HB3 LYS 53 -11.859 -12.035 9.876 344 HG2 LYS 53 HG2 LYS 53 -13.801 -11.605 11.338 345 HG3 LYS 53 HG3 LYS 53 -14.004 -13.341 11.585 346 HD2 LYS 53 HD2 LYS 53 -11.756 -13.475 12.580 347 HD3 LYS 53 HD3 LYS 53 -11.529 -11.745 12.322 348 HE2 LYS 53 HE2 LYS 53 -13.452 -11.276 13.811 349 HE3 LYS 53 HE3 LYS 53 -13.672 -13.010 14.063 350 HZ1 LYS 53 HZ1 LYS 53 -12.110 -11.395 15.565 351 HZ2 LYS 53 HZ2 LYS 53 -10.982 -12.102 14.506 352 HZ3 LYS 53 HZ3 LYS 53 -11.964 -13.089 15.478 353 H ILE 54 H ILE 54 -12.967 -10.958 7.470 354 HA ILE 54 HA ILE 54 -11.385 -12.528 5.561 355 HB ILE 54 HB ILE 54 -12.720 -10.641 3.988 356 HG12 ILE 54 HG12 ILE 54 -14.712 -12.115 5.741 357 HG13 ILE 54 HG13 ILE 54 -14.403 -10.382 5.781 358 HG21 ILE 54 HG21 ILE 54 -13.084 -13.624 4.352 359 HG22 ILE 54 HG22 ILE 54 -12.007 -12.809 3.227 360 HG23 ILE 54 HG23 ILE 54 -13.752 -12.715 2.999 361 HD11 ILE 54 HD11 ILE 54 -14.922 -10.576 3.176 362 HD12 ILE 54 HD12 ILE 54 -16.224 -10.435 4.352 363 HD13 ILE 54 HD13 ILE 54 -15.803 -12.014 3.701 364 HA PRO 55 HA PRO 55 -8.948 -9.100 7.067 365 HB2 PRO 55 HB2 PRO 55 -7.016 -10.108 5.007 366 HB3 PRO 55 HB3 PRO 55 -6.727 -9.693 6.704 367 HG2 PRO 55 HG2 PRO 55 -6.913 -12.229 5.900 368 HG3 PRO 55 HG3 PRO 55 -7.551 -11.707 7.465 369 HD2 PRO 55 HD2 PRO 55 -9.024 -12.422 4.968 370 HD3 PRO 55 HD3 PRO 55 -9.538 -12.575 6.659 371 H ARG 56 H ARG 56 -9.216 -9.770 3.602 372 HA ARG 56 HA ARG 56 -9.070 -6.881 3.098 373 HB2 ARG 56 HB2 ARG 56 -8.196 -9.196 1.380 374 HB3 ARG 56 HB3 ARG 56 -8.233 -7.520 0.834 375 HG2 ARG 56 HG2 ARG 56 -6.696 -6.870 2.626 376 HG3 ARG 56 HG3 ARG 56 -6.712 -8.507 3.265 377 HD2 ARG 56 HD2 ARG 56 -4.685 -8.178 1.961 378 HD3 ARG 56 HD3 ARG 56 -5.727 -9.322 1.122 379 HE ARG 56 HE ARG 56 -6.218 -6.672 0.209 380 HH11 ARG 56 HH11 ARG 56 -3.765 -9.130 0.108 381 HH12 ARG 56 HH12 ARG 56 -3.278 -8.757 -1.517 382 HH21 ARG 56 HH21 ARG 56 -5.361 -5.995 -1.758 383 HH22 ARG 56 HH22 ARG 56 -4.254 -7.016 -2.610 384 H LYS 57 H LYS 57 -11.104 -9.738 2.422 385 HA LYS 57 HA LYS 57 -11.939 -8.789 -0.084 386 HB2 LYS 57 HB2 LYS 57 -13.272 -10.758 1.761 387 HB3 LYS 57 HB3 LYS 57 -13.876 -10.390 0.150 388 HG2 LYS 57 HG2 LYS 57 -11.725 -11.119 -0.815 389 HG3 LYS 57 HG3 LYS 57 -11.122 -11.487 0.802 390 HD2 LYS 57 HD2 LYS 57 -12.960 -13.121 1.100 391 HD3 LYS 57 HD3 LYS 57 -13.562 -12.732 -0.508 392 HE2 LYS 57 HE2 LYS 57 -11.448 -13.506 -1.502 393 HE3 LYS 57 HE3 LYS 57 -10.824 -13.893 0.100 394 HZ1 LYS 57 HZ1 LYS 57 -11.671 -15.901 -0.451 395 HZ2 LYS 57 HZ2 LYS 57 -12.846 -15.256 -1.498 396 HZ3 LYS 57 HZ3 LYS 57 -13.095 -15.223 0.182 397 H TRP 58 H TRP 58 -13.605 -8.414 3.078 398 HA TRP 58 HA TRP 58 -15.300 -6.431 1.690 399 HB2 TRP 58 HB2 TRP 58 -15.998 -8.417 3.742 400 HB3 TRP 58 HB3 TRP 58 -16.577 -6.791 4.089 401 HD1 TRP 58 HD1 TRP 58 -17.488 -9.781 2.188 402 HE1 TRP 58 HE1 TRP 58 -19.395 -9.263 0.520 403 HE3 TRP 58 HE3 TRP 58 -16.762 -4.822 1.711 404 HZ2 TRP 58 HZ2 TRP 58 -20.185 -7.016 -1.098 405 HZ3 TRP 58 HZ3 TRP 58 -18.139 -3.473 0.131 406 HH2 TRP 58 HH2 TRP 58 -19.428 -4.711 -1.592 407 H LYS 59 H LYS 59 -13.227 -7.039 4.468 408 HA LYS 59 HA LYS 59 -13.859 -4.707 5.865 409 HB2 LYS 59 HB2 LYS 59 -11.344 -6.367 5.917 410 HB3 LYS 59 HB3 LYS 59 -11.644 -5.017 7.008 411 HG2 LYS 59 HG2 LYS 59 -13.710 -6.099 7.811 412 HG3 LYS 59 HG3 LYS 59 -13.460 -7.433 6.689 413 HD2 LYS 59 HD2 LYS 59 -11.324 -7.969 7.827 414 HD3 LYS 59 HD3 LYS 59 -11.622 -6.666 8.975 415 HE2 LYS 59 HE2 LYS 59 -13.520 -8.992 8.542 416 HE3 LYS 59 HE3 LYS 59 -12.300 -8.947 9.813 417 HZ1 LYS 59 HZ1 LYS 59 -14.548 -8.201 10.506 418 HZ2 LYS 59 HZ2 LYS 59 -14.398 -6.873 9.460 419 HZ3 LYS 59 HZ3 LYS 59 -13.330 -7.048 10.771 420 H ARG 60 H ARG 60 -11.567 -5.260 3.283 421 HA ARG 60 HA ARG 60 -10.394 -2.587 3.635 422 HB2 ARG 60 HB2 ARG 60 -9.538 -4.939 1.943 423 HB3 ARG 60 HB3 ARG 60 -8.698 -3.393 1.997 424 HG2 ARG 60 HG2 ARG 60 -9.208 -5.143 4.424 425 HG3 ARG 60 HG3 ARG 60 -7.705 -5.127 3.511 426 HD2 ARG 60 HD2 ARG 60 -7.422 -2.731 4.005 427 HD3 ARG 60 HD3 ARG 60 -8.910 -2.737 4.945 428 HE ARG 60 HE ARG 60 -6.396 -4.078 5.673 429 HH11 ARG 60 HH11 ARG 60 -9.792 -3.683 6.386 430 HH12 ARG 60 HH12 ARG 60 -9.548 -3.656 8.098 431 HH21 ARG 60 HH21 ARG 60 -6.197 -4.444 7.931 432 HH22 ARG 60 HH22 ARG 60 -7.647 -4.614 8.864 433 H ARG 61 H ARG 61 -13.008 -3.793 2.043 434 HA ARG 61 HA ARG 61 -12.514 -2.129 -0.348 435 HB2 ARG 61 HB2 ARG 61 -13.949 -4.787 -0.285 436 HB3 ARG 61 HB3 ARG 61 -13.893 -3.703 -1.676 437 HG2 ARG 61 HG2 ARG 61 -11.441 -3.838 -1.712 438 HG3 ARG 61 HG3 ARG 61 -11.462 -4.879 -0.293 439 HD2 ARG 61 HD2 ARG 61 -11.191 -6.264 -2.267 440 HD3 ARG 61 HD3 ARG 61 -12.795 -6.544 -1.600 441 HE ARG 61 HE ARG 61 -13.738 -5.380 -3.438 442 HH11 ARG 61 HH11 ARG 61 -10.304 -4.983 -3.368 443 HH12 ARG 61 HH12 ARG 61 -10.188 -4.506 -5.032 444 HH21 ARG 61 HH21 ARG 61 -13.466 -5.109 -5.785 445 HH22 ARG 61 HH22 ARG 61 -12.123 -4.088 -6.171 446 H TYR 62 H TYR 62 -13.894 -1.396 2.188 447 HA TYR 62 HA TYR 62 -16.515 -0.727 1.020 448 HB2 TYR 62 HB2 TYR 62 -17.750 -1.702 2.703 449 HB3 TYR 62 HB3 TYR 62 -16.483 -2.894 2.459 450 HD1 TYR 62 HD1 TYR 62 -14.191 -1.985 3.960 451 HD2 TYR 62 HD2 TYR 62 -18.325 -2.243 4.852 452 HE1 TYR 62 HE1 TYR 62 -13.707 -1.558 6.350 453 HE2 TYR 62 HE2 TYR 62 -17.774 -2.544 7.228 454 HH TYR 62 HH TYR 62 -14.474 -2.053 8.446 455 H CYS 63 H CYS 63 -17.655 0.989 2.111 456 HA CYS 63 HA CYS 63 -15.973 2.979 3.241 457 HB2 CYS 63 HB2 CYS 63 -18.279 3.207 1.961 458 HB3 CYS 63 HB3 CYS 63 -18.920 3.170 3.600 459 H LYS 64 H LYS 64 -15.769 3.737 5.262 460 HA LYS 64 HA LYS 64 -15.907 1.947 7.408 461 HB2 LYS 64 HB2 LYS 64 -15.749 4.978 7.392 462 HB3 LYS 64 HB3 LYS 64 -15.450 3.983 8.804 463 HG2 LYS 64 HG2 LYS 64 -13.866 3.830 6.225 464 HG3 LYS 64 HG3 LYS 64 -13.361 4.703 7.667 465 HD2 LYS 64 HD2 LYS 64 -13.400 2.592 8.956 466 HD3 LYS 64 HD3 LYS 64 -13.881 1.722 7.503 467 HE2 LYS 64 HE2 LYS 64 -11.798 2.378 6.385 468 HE3 LYS 64 HE3 LYS 64 -11.313 3.310 7.797 469 HZ1 LYS 64 HZ1 LYS 64 -11.874 0.894 8.845 470 HZ2 LYS 64 HZ2 LYS 64 -10.326 1.442 8.429 471 HZ3 LYS 64 HZ3 LYS 64 -11.203 0.475 7.346 472 H LYS 65 H LYS 65 -18.128 4.565 6.416 473 HA LYS 65 HA LYS 65 -19.794 4.017 8.769 474 HB2 LYS 65 HB2 LYS 65 -20.527 6.037 6.678 475 HB3 LYS 65 HB3 LYS 65 -20.801 6.077 8.417 476 HG2 LYS 65 HG2 LYS 65 -18.353 6.407 8.763 477 HG3 LYS 65 HG3 LYS 65 -18.133 6.438 7.017 478 HD2 LYS 65 HD2 LYS 65 -19.702 8.370 6.877 479 HD3 LYS 65 HD3 LYS 65 -19.823 8.360 8.635 480 HE2 LYS 65 HE2 LYS 65 -18.166 10.022 8.004 481 HE3 LYS 65 HE3 LYS 65 -17.312 8.657 8.737 482 HZ1 LYS 65 HZ1 LYS 65 -16.877 7.777 6.540 483 HZ2 LYS 65 HZ2 LYS 65 -16.286 9.369 6.646 484 HZ3 LYS 65 HZ3 LYS 65 -17.740 9.055 5.828 485 H CYS 66 H CYS 66 -19.903 4.035 5.254 486 HA CYS 66 HA CYS 66 -22.733 3.688 5.093 487 HB2 CYS 66 HB2 CYS 66 -20.688 3.439 2.877 488 HB3 CYS 66 HB3 CYS 66 -22.422 3.700 2.702 489 H HIS 67 H HIS 67 -19.983 1.546 4.968 490 HA HIS 67 HA HIS 67 -19.812 -0.733 4.675 491 HB2 HIS 67 HB2 HIS 67 -22.721 -0.476 5.496 492 HB3 HIS 67 HB3 HIS 67 -21.910 -2.023 5.299 493 HD1 HIS 67 HD1 HIS 67 -22.900 -1.393 8.079 494 HD2 HIS 67 HD2 HIS 67 -19.106 -0.196 6.748 495 HE1 HIS 67 HE1 HIS 67 -21.403 -1.199 10.127 496 HE2 HIS 67 HE2 HIS 67 -19.200 -0.191 9.358 497 H ALA 68 H ALA 68 -19.765 0.651 2.567 498 HA ALA 68 HA ALA 68 -21.354 -0.737 0.502 499 HB1 ALA 68 HB1 ALA 68 -20.488 2.105 0.104 500 HB2 ALA 68 HB2 ALA 68 -21.944 1.775 1.036 501 HB3 ALA 68 HB3 ALA 68 -21.831 1.221 -0.630 502 H PHE 69 H PHE 69 -20.253 -0.815 -1.599 503 HA PHE 69 HA PHE 69 -17.631 -1.873 -1.198 504 HB2 PHE 69 HB2 PHE 69 -19.529 -2.337 -3.012 505 HB3 PHE 69 HB3 PHE 69 -18.673 -1.092 -3.905 506 HD1 PHE 69 HD1 PHE 69 -15.940 -1.457 -3.777 507 HD2 PHE 69 HD2 PHE 69 -18.986 -4.459 -3.696 508 HE1 PHE 69 HE1 PHE 69 -14.252 -3.189 -4.332 509 HE2 PHE 69 HE2 PHE 69 -17.408 -6.078 -4.656 510 HZ PHE 69 HZ PHE 69 -15.035 -5.450 -4.996 511 H LEU 70 H LEU 70 -15.649 -0.781 -1.382 512 HA LEU 70 HA LEU 70 -15.880 2.093 -2.080 513 HB2 LEU 70 HB2 LEU 70 -15.122 1.187 0.248 514 HB3 LEU 70 HB3 LEU 70 -13.608 0.823 -0.556 515 HG LEU 70 HG LEU 70 -13.162 2.925 0.287 516 HD11 LEU 70 HD11 LEU 70 -14.516 3.731 -2.307 517 HD12 LEU 70 HD12 LEU 70 -12.895 3.032 -2.206 518 HD13 LEU 70 HD13 LEU 70 -13.231 4.591 -1.464 519 HD21 LEU 70 HD21 LEU 70 -15.519 3.158 1.153 520 HD22 LEU 70 HD22 LEU 70 -15.957 3.853 -0.408 521 HD23 LEU 70 HD23 LEU 70 -14.785 4.670 0.620 522 H VAL 71 H VAL 71 -15.487 2.123 -4.201 523 HA VAL 71 HA VAL 71 -12.676 1.809 -4.928 524 HB VAL 71 HB VAL 71 -15.004 0.947 -6.663 525 HG11 VAL 71 HG11 VAL 71 -13.371 0.549 -8.437 526 HG12 VAL 71 HG12 VAL 71 -12.084 1.205 -7.431 527 HG13 VAL 71 HG13 VAL 71 -13.387 2.251 -8.002 528 HG21 VAL 71 HG21 VAL 71 -13.892 -1.208 -6.669 529 HG22 VAL 71 HG22 VAL 71 -14.082 -0.692 -4.997 530 HG23 VAL 71 HG23 VAL 71 -12.517 -0.546 -5.789 531 HA PRO 72 HA PRO 72 -13.565 6.070 -6.156 532 HB2 PRO 72 HB2 PRO 72 -11.233 5.838 -7.971 533 HB3 PRO 72 HB3 PRO 72 -11.557 6.992 -6.666 534 HG2 PRO 72 HG2 PRO 72 -9.742 5.016 -6.429 535 HG3 PRO 72 HG3 PRO 72 -10.680 5.626 -5.058 536 HD2 PRO 72 HD2 PRO 72 -11.048 3.088 -6.622 537 HD3 PRO 72 HD3 PRO 72 -11.283 3.385 -4.885 538 H GLY 73 H GLY 73 -14.594 7.036 -7.748 539 HA2 GLY 73 HA2 GLY 73 -15.141 7.575 -9.952 540 HA3 GLY 73 HA3 GLY 73 -14.620 5.979 -10.471 541 H ILE 74 H ILE 74 -16.386 5.089 -7.932 542 HA ILE 74 HA ILE 74 -18.709 4.658 -9.727 543 HB ILE 74 HB ILE 74 -17.539 2.862 -7.590 544 HG12 ILE 74 HG12 ILE 74 -17.841 2.409 -10.573 545 HG13 ILE 74 HG13 ILE 74 -16.373 3.045 -9.844 546 HG21 ILE 74 HG21 ILE 74 -20.085 2.782 -9.199 547 HG22 ILE 74 HG22 ILE 74 -19.872 2.510 -7.477 548 HG23 ILE 74 HG23 ILE 74 -19.338 1.293 -8.629 549 HD11 ILE 74 HD11 ILE 74 -17.400 0.608 -8.547 550 HD12 ILE 74 HD12 ILE 74 -15.759 1.030 -9.008 551 HD13 ILE 74 HD13 ILE 74 -16.873 0.381 -10.209 552 H ASN 75 H ASN 75 -18.290 4.080 -6.217 553 HA ASN 75 HA ASN 75 -20.739 5.684 -5.749 554 HB2 ASN 75 HB2 ASN 75 -21.028 4.438 -3.720 555 HB3 ASN 75 HB3 ASN 75 -20.713 3.274 -4.993 556 HD21 ASN 75 HD21 ASN 75 -19.993 3.610 -1.815 557 HD22 ASN 75 HD22 ASN 75 -18.847 2.368 -1.983 558 H ALA 76 H ALA 76 -17.635 6.068 -5.885 559 HA ALA 76 HA ALA 76 -17.415 8.145 -3.921 560 HB1 ALA 76 HB1 ALA 76 -15.752 7.208 -2.538 561 HB2 ALA 76 HB2 ALA 76 -15.380 5.924 -3.692 562 HB3 ALA 76 HB3 ALA 76 -16.874 5.869 -2.756 563 H ARG 77 H ARG 77 -15.576 9.491 -4.403 564 HA ARG 77 HA ARG 77 -14.138 8.744 -6.866 565 HB2 ARG 77 HB2 ARG 77 -16.054 10.339 -7.275 566 HB3 ARG 77 HB3 ARG 77 -15.172 11.525 -6.308 567 HG2 ARG 77 HG2 ARG 77 -13.241 11.331 -7.849 568 HG3 ARG 77 HG3 ARG 77 -14.124 10.134 -8.792 569 HD2 ARG 77 HD2 ARG 77 -15.894 11.845 -9.216 570 HD3 ARG 77 HD3 ARG 77 -14.879 13.042 -8.407 571 HE ARG 77 HE ARG 77 -13.517 11.607 -10.505 572 HH11 ARG 77 HH11 ARG 77 -15.462 14.396 -9.738 573 HH12 ARG 77 HH12 ARG 77 -15.131 15.180 -11.237 574 HH21 ARG 77 HH21 ARG 77 -12.955 12.751 -12.370 575 HH22 ARG 77 HH22 ARG 77 -13.575 14.352 -12.615 576 H VAL 78 H VAL 78 -12.042 9.564 -7.101 577 HA VAL 78 HA VAL 78 -10.874 10.573 -4.587 578 HB VAL 78 HB VAL 78 -10.514 8.094 -4.995 579 HG11 VAL 78 HG11 VAL 78 -8.457 8.912 -7.026 580 HG12 VAL 78 HG12 VAL 78 -10.106 8.576 -7.542 581 HG13 VAL 78 HG13 VAL 78 -9.163 7.327 -6.736 582 HG21 VAL 78 HG21 VAL 78 -7.831 9.385 -5.068 583 HG22 VAL 78 HG22 VAL 78 -8.478 8.209 -3.933 584 HG23 VAL 78 HG23 VAL 78 -8.927 9.901 -3.792 585 H ARG 79 H ARG 79 -9.643 12.281 -4.802 586 HA ARG 79 HA ARG 79 -8.595 13.012 -7.474 587 HB2 ARG 79 HB2 ARG 79 -8.961 14.717 -4.995 588 HB3 ARG 79 HB3 ARG 79 -8.204 15.256 -6.494 589 HG2 ARG 79 HG2 ARG 79 -10.268 14.757 -7.731 590 HG3 ARG 79 HG3 ARG 79 -11.028 14.173 -6.258 591 HD2 ARG 79 HD2 ARG 79 -9.948 16.983 -6.610 592 HD3 ARG 79 HD3 ARG 79 -11.637 16.540 -6.840 593 HE ARG 79 HE ARG 79 -10.901 15.643 -4.309 594 HH11 ARG 79 HH11 ARG 79 -11.425 18.674 -6.019 595 HH12 ARG 79 HH12 ARG 79 -12.291 19.314 -4.665 596 HH21 ARG 79 HH21 ARG 79 -11.343 16.890 -2.452 597 HH22 ARG 79 HH22 ARG 79 -11.707 18.571 -2.622 598 H LEU 80 H LEU 80 -6.421 13.118 -7.748 599 HA LEU 80 HA LEU 80 -4.749 12.256 -5.460 600 HB2 LEU 80 HB2 LEU 80 -4.089 11.996 -8.403 601 HB3 LEU 80 HB3 LEU 80 -3.255 11.258 -7.040 602 HG LEU 80 HG LEU 80 -5.541 10.137 -6.523 603 HD11 LEU 80 HD11 LEU 80 -7.244 10.602 -7.916 604 HD12 LEU 80 HD12 LEU 80 -6.344 9.857 -9.230 605 HD13 LEU 80 HD13 LEU 80 -6.201 11.584 -8.933 606 HD21 LEU 80 HD21 LEU 80 -3.946 9.348 -8.976 607 HD22 LEU 80 HD22 LEU 80 -4.990 8.280 -8.043 608 HD23 LEU 80 HD23 LEU 80 -3.533 8.951 -7.310 609 H ARG 81 H ARG 81 -3.673 13.871 -4.611 610 HA ARG 81 HA ARG 81 -3.015 16.224 -6.266 611 HB2 ARG 81 HB2 ARG 81 -3.421 15.960 -3.284 612 HB3 ARG 81 HB3 ARG 81 -2.830 17.422 -4.076 613 HG2 ARG 81 HG2 ARG 81 -4.891 17.539 -5.411 614 HG3 ARG 81 HG3 ARG 81 -5.479 16.054 -4.667 615 HD2 ARG 81 HD2 ARG 81 -4.798 18.576 -3.119 616 HD3 ARG 81 HD3 ARG 81 -6.422 18.144 -3.644 617 HE ARG 81 HE ARG 81 -5.548 15.949 -2.249 618 HH11 ARG 81 HH11 ARG 81 -6.099 19.330 -1.653 619 HH12 ARG 81 HH12 ARG 81 -6.612 19.079 -0.013 620 HH21 ARG 81 HH21 ARG 81 -5.764 15.742 0.021 621 HH22 ARG 81 HH22 ARG 81 -6.495 17.041 0.907 622 H GLN 82 H GLN 82 -0.949 16.948 -6.420 623 HA GLN 82 HA GLN 82 1.092 15.208 -5.182 624 HB2 GLN 82 HB2 GLN 82 0.923 14.999 -7.630 625 HB3 GLN 82 HB3 GLN 82 1.257 16.719 -7.798 626 HG2 GLN 82 HG2 GLN 82 3.319 15.494 -8.141 627 HG3 GLN 82 HG3 GLN 82 3.437 16.349 -6.606 628 HE21 GLN 82 HE21 GLN 82 4.445 15.009 -5.088 629 HE22 GLN 82 HE22 GLN 82 4.583 13.332 -5.314 630 H LYS 83 H LYS 83 1.864 16.083 -3.602 631 HA LYS 83 HA LYS 83 3.347 18.624 -3.797 632 HB2 LYS 83 HB2 LYS 83 1.860 17.459 -1.411 633 HB3 LYS 83 HB3 LYS 83 3.021 18.782 -1.296 634 HG2 LYS 83 HG2 LYS 83 1.645 20.166 -2.765 635 HG3 LYS 83 HG3 LYS 83 0.531 18.827 -3.036 636 HD2 LYS 83 HD2 LYS 83 -0.467 20.284 -1.400 637 HD3 LYS 83 HD3 LYS 83 0.051 18.825 -0.564 638 HE2 LYS 83 HE2 LYS 83 2.081 19.975 0.220 639 HE3 LYS 83 HE3 LYS 83 1.609 21.432 -0.661 640 HZ1 LYS 83 HZ1 LYS 83 -0.395 20.339 1.124 641 HZ2 LYS 83 HZ2 LYS 83 0.062 21.954 0.851 642 HZ3 LYS 83 HZ3 LYS 83 0.985 20.970 1.883 643 H ARG 84 H ARG 84 5.227 18.245 -1.862 644 HA ARG 84 HA ARG 84 6.256 15.487 -2.383 645 HB2 ARG 84 HB2 ARG 84 7.390 17.855 -0.828 646 HB3 ARG 84 HB3 ARG 84 8.219 16.330 -1.108 647 HG2 ARG 84 HG2 ARG 84 8.241 16.781 -3.536 648 HG3 ARG 84 HG3 ARG 84 7.396 18.304 -3.260 649 HD2 ARG 84 HD2 ARG 84 10.077 17.578 -2.049 650 HD3 ARG 84 HD3 ARG 84 9.871 18.597 -3.470 651 HE ARG 84 HE ARG 84 9.345 19.339 -0.708 652 HH11 ARG 84 HH11 ARG 84 8.719 20.056 -4.049 653 HH12 ARG 84 HH12 ARG 84 8.253 21.693 -3.731 654 HH21 ARG 84 HH21 ARG 84 8.414 21.371 -0.334 655 HH22 ARG 84 HH22 ARG 84 8.298 22.493 -1.641 656 H MET 85 H MET 85 3.786 15.914 -1.038 657 HA MET 85 HA MET 85 4.599 13.750 0.757 658 HB2 MET 85 HB2 MET 85 3.818 15.946 1.945 659 HB3 MET 85 HB3 MET 85 2.237 15.575 1.282 660 HG2 MET 85 HG2 MET 85 2.295 13.385 2.484 661 HG3 MET 85 HG3 MET 85 3.837 13.867 3.202 662 HE1 MET 85 HE1 MET 85 1.305 14.061 6.030 663 HE2 MET 85 HE2 MET 85 1.921 12.924 4.824 664 HE3 MET 85 HE3 MET 85 0.312 13.628 4.640 665 HA PRO 86 HA PRO 86 1.624 12.516 -2.543 666 HB2 PRO 86 HB2 PRO 86 1.739 9.779 -1.410 667 HB3 PRO 86 HB3 PRO 86 1.990 10.328 -3.073 668 HG2 PRO 86 HG2 PRO 86 3.995 9.521 -1.439 669 HG3 PRO 86 HG3 PRO 86 4.205 10.667 -2.767 670 HD2 PRO 86 HD2 PRO 86 4.190 11.161 0.156 671 HD3 PRO 86 HD3 PRO 86 4.954 12.107 -1.136 672 H HIS 87 H HIS 87 -0.602 12.560 -2.404 673 HA HIS 87 HA HIS 87 -1.994 11.333 -0.178 674 HB2 HIS 87 HB2 HIS 87 -3.170 13.462 0.419 675 HB3 HIS 87 HB3 HIS 87 -1.460 13.438 0.835 676 HD1 HIS 87 HD1 HIS 87 0.193 14.564 -0.864 677 HD2 HIS 87 HD2 HIS 87 -3.720 15.933 -0.764 678 HE1 HIS 87 HE1 HIS 87 0.035 16.592 -2.468 679 HE2 HIS 87 HE2 HIS 87 -2.163 17.692 -1.873 680 H ILE 88 H ILE 88 -4.122 10.916 -0.533 681 HA ILE 88 HA ILE 88 -5.368 11.981 -2.976 682 HB ILE 88 HB ILE 88 -6.427 9.838 -3.444 683 HG12 ILE 88 HG12 ILE 88 -4.643 8.687 -1.275 684 HG13 ILE 88 HG13 ILE 88 -6.368 8.984 -1.065 685 HG21 ILE 88 HG21 ILE 88 -3.463 9.359 -3.129 686 HG22 ILE 88 HG22 ILE 88 -4.087 10.528 -4.287 687 HG23 ILE 88 HG23 ILE 88 -4.523 8.825 -4.431 688 HD11 ILE 88 HD11 ILE 88 -6.467 7.581 -3.362 689 HD12 ILE 88 HD12 ILE 88 -6.508 6.811 -1.775 690 HD13 ILE 88 HD13 ILE 88 -4.993 6.897 -2.678 691 H VAL 89 H VAL 89 -7.598 12.402 -2.825 692 HA VAL 89 HA VAL 89 -8.778 12.031 -0.137 693 HB VAL 89 HB VAL 89 -10.170 14.065 -0.647 694 HG11 VAL 89 HG11 VAL 89 -8.047 13.989 0.767 695 HG12 VAL 89 HG12 VAL 89 -8.473 15.566 0.122 696 HG13 VAL 89 HG13 VAL 89 -7.194 14.611 -0.643 697 HG21 VAL 89 HG21 VAL 89 -8.071 14.593 -2.766 698 HG22 VAL 89 HG22 VAL 89 -9.494 15.568 -2.393 699 HG23 VAL 89 HG23 VAL 89 -9.680 13.989 -3.150 700 H VAL 90 H VAL 90 -10.722 11.096 0.009 701 HA VAL 90 HA VAL 90 -12.012 10.180 -2.496 702 HB VAL 90 HB VAL 90 -11.431 8.641 0.042 703 HG11 VAL 90 HG11 VAL 90 -13.346 8.029 -2.208 704 HG12 VAL 90 HG12 VAL 90 -13.637 7.954 -0.475 705 HG13 VAL 90 HG13 VAL 90 -12.615 6.748 -1.251 706 HG21 VAL 90 HG21 VAL 90 -10.518 7.022 -1.777 707 HG22 VAL 90 HG22 VAL 90 -9.562 8.436 -1.350 708 HG23 VAL 90 HG23 VAL 90 -10.536 8.441 -2.822 709 H LYS 91 H LYS 91 -14.143 10.541 -2.575 710 HA LYS 91 HA LYS 91 -15.598 11.097 -0.062 711 HB2 LYS 91 HB2 LYS 91 -17.241 12.286 -1.782 712 HB3 LYS 91 HB3 LYS 91 -15.959 13.157 -0.975 713 HG2 LYS 91 HG2 LYS 91 -15.717 11.976 -3.754 714 HG3 LYS 91 HG3 LYS 91 -16.166 13.638 -3.426 715 HD2 LYS 91 HD2 LYS 91 -14.006 14.024 -2.329 716 HD3 LYS 91 HD3 LYS 91 -13.519 12.365 -2.652 717 HE2 LYS 91 HE2 LYS 91 -13.735 12.790 -5.083 718 HE3 LYS 91 HE3 LYS 91 -14.168 14.462 -4.731 719 HZ1 LYS 91 HZ1 LYS 91 -11.959 14.208 -3.285 720 HZ2 LYS 91 HZ2 LYS 91 -11.975 14.771 -4.883 721 HZ3 LYS 91 HZ3 LYS 91 -11.593 13.151 -4.564 722 H CYS 92 H CYS 92 -17.354 9.745 0.230 723 HA CYS 92 HA CYS 92 -18.155 8.088 -2.084 724 HB2 CYS 92 HB2 CYS 92 -17.338 6.388 -0.807 725 HB3 CYS 92 HB3 CYS 92 -17.497 7.295 0.685 726 H LEU 93 H LEU 93 -20.278 8.009 -2.531 727 HA LEU 93 HA LEU 93 -21.604 10.401 -1.863 728 HB2 LEU 93 HB2 LEU 93 -22.469 7.993 -3.484 729 HB3 LEU 93 HB3 LEU 93 -23.451 9.445 -3.309 730 HG LEU 93 HG LEU 93 -20.563 9.542 -4.224 731 HD11 LEU 93 HD11 LEU 93 -21.600 8.256 -5.923 732 HD12 LEU 93 HD12 LEU 93 -21.663 9.909 -6.527 733 HD13 LEU 93 HD13 LEU 93 -23.107 9.172 -5.821 734 HD21 LEU 93 HD21 LEU 93 -21.199 11.693 -3.569 735 HD22 LEU 93 HD22 LEU 93 -22.876 11.459 -4.064 736 HD23 LEU 93 HD23 LEU 93 -21.620 11.705 -5.276 737 H GLU 94 H GLU 94 -21.849 7.162 -0.562 738 HA GLU 94 HA GLU 94 -24.602 7.447 0.239 739 HB2 GLU 94 HB2 GLU 94 -23.201 5.395 1.708 740 HB3 GLU 94 HB3 GLU 94 -24.593 5.255 0.645 741 HG2 GLU 94 HG2 GLU 94 -21.681 5.260 -0.185 742 HG3 GLU 94 HG3 GLU 94 -22.779 3.890 -0.207 743 H CYS 95 H CYS 95 -21.369 7.833 1.684 744 HA CYS 95 HA CYS 95 -22.575 8.605 4.231 745 HB2 CYS 95 HB2 CYS 95 -20.232 9.581 4.692 746 HB3 CYS 95 HB3 CYS 95 -20.468 7.849 4.739 747 H GLY 96 H GLY 96 -21.467 10.074 1.239 748 HA2 GLY 96 HA2 GLY 96 -21.715 12.234 0.453 749 HA3 GLY 96 HA3 GLY 96 -22.562 12.642 1.936 750 H HIS 97 H HIS 97 -19.468 11.153 2.325 751 HA HIS 97 HA HIS 97 -18.439 13.739 3.295 752 HB2 HIS 97 HB2 HIS 97 -18.315 11.082 4.720 753 HB3 HIS 97 HB3 HIS 97 -17.383 12.505 5.187 754 HD1 HIS 97 HD1 HIS 97 -18.931 14.769 5.514 755 HD2 HIS 97 HD2 HIS 97 -20.683 11.079 6.282 756 HE1 HIS 97 HE1 HIS 97 -21.148 15.183 6.704 757 HE2 HIS 97 HE2 HIS 97 -22.487 13.028 6.415 758 H ILE 98 H ILE 98 -16.292 14.106 3.254 759 HA ILE 98 HA ILE 98 -14.742 12.537 1.345 760 HB ILE 98 HB ILE 98 -14.897 14.974 1.087 761 HG12 ILE 98 HG12 ILE 98 -12.481 15.489 0.928 762 HG13 ILE 98 HG13 ILE 98 -12.117 14.036 1.852 763 HG21 ILE 98 HG21 ILE 98 -14.911 15.253 3.714 764 HG22 ILE 98 HG22 ILE 98 -14.212 16.508 2.690 765 HG23 ILE 98 HG23 ILE 98 -13.161 15.350 3.505 766 HD11 ILE 98 HD11 ILE 98 -13.817 13.361 -0.379 767 HD12 ILE 98 HD12 ILE 98 -12.195 12.785 -0.001 768 HD13 ILE 98 HD13 ILE 98 -12.410 14.261 -0.942 769 H MET 99 H MET 99 -13.187 11.278 1.801 770 HA MET 99 HA MET 99 -12.059 11.129 4.532 771 HB2 MET 99 HB2 MET 99 -12.382 9.028 2.374 772 HB3 MET 99 HB3 MET 99 -11.484 8.776 3.865 773 HG2 MET 99 HG2 MET 99 -13.497 9.174 5.187 774 HG3 MET 99 HG3 MET 99 -14.416 9.551 3.730 775 HE1 MET 99 HE1 MET 99 -11.685 6.661 4.413 776 HE2 MET 99 HE2 MET 99 -12.799 5.501 5.134 777 HE3 MET 99 HE3 MET 99 -12.587 7.086 5.872 778 H ARG 100 H ARG 100 -9.883 11.243 4.759 779 HA ARG 100 HA ARG 100 -8.273 11.898 2.371 780 HB2 ARG 100 HB2 ARG 100 -7.881 12.484 5.319 781 HB3 ARG 100 HB3 ARG 100 -6.716 12.893 4.063 782 HG2 ARG 100 HG2 ARG 100 -8.377 14.319 2.951 783 HG3 ARG 100 HG3 ARG 100 -9.592 13.858 4.141 784 HD2 ARG 100 HD2 ARG 100 -6.981 15.204 4.868 785 HD3 ARG 100 HD3 ARG 100 -8.483 16.082 4.587 786 HE ARG 100 HE ARG 100 -8.978 14.045 6.464 787 HH11 ARG 100 HH11 ARG 100 -7.438 17.161 6.153 788 HH12 ARG 100 HH12 ARG 100 -7.114 17.290 7.848 789 HH21 ARG 100 HH21 ARG 100 -8.812 14.413 8.687 790 HH22 ARG 100 HH22 ARG 100 -8.549 16.040 9.210 791 H TYR 101 H TYR 101 -6.610 10.612 1.807 792 HA TYR 101 HA TYR 101 -5.753 8.476 3.666 793 HB2 TYR 101 HB2 TYR 101 -7.164 8.112 1.309 794 HB3 TYR 101 HB3 TYR 101 -5.496 7.848 0.815 795 HD1 TYR 101 HD1 TYR 101 -4.114 6.490 2.815 796 HD2 TYR 101 HD2 TYR 101 -8.267 6.122 1.794 797 HE1 TYR 101 HE1 TYR 101 -4.233 4.363 4.070 798 HE2 TYR 101 HE2 TYR 101 -8.423 4.075 3.184 799 HH TYR 101 HH TYR 101 -7.255 2.495 4.268 800 HA PRO 102 HA PRO 102 -1.867 10.662 2.669 801 HB2 PRO 102 HB2 PRO 102 -0.926 9.025 4.957 802 HB3 PRO 102 HB3 PRO 102 -0.793 10.769 4.682 803 HG2 PRO 102 HG2 PRO 102 -2.476 9.732 6.498 804 HG3 PRO 102 HG3 PRO 102 -2.849 11.206 5.597 805 HD2 PRO 102 HD2 PRO 102 -3.900 8.422 5.195 806 HD3 PRO 102 HD3 PRO 102 -4.737 9.980 5.010 807 H TYR 103 H TYR 103 -0.277 9.915 1.398 808 HA TYR 103 HA TYR 103 0.581 7.132 1.623 809 HB2 TYR 103 HB2 TYR 103 0.043 8.536 -0.982 810 HB3 TYR 103 HB3 TYR 103 1.082 7.121 -0.853 811 HD1 TYR 103 HD1 TYR 103 -2.459 8.316 -0.316 812 HD2 TYR 103 HD2 TYR 103 0.256 4.980 -0.439 813 HE1 TYR 103 HE1 TYR 103 -4.370 6.721 -0.483 814 HE2 TYR 103 HE2 TYR 103 -1.646 3.419 -0.279 815 HH TYR 103 HH TYR 103 -4.524 4.120 0.659 816 H ILE 104 H ILE 104 2.733 6.725 1.376 817 HA ILE 104 HA ILE 104 4.527 9.035 1.010 818 HB ILE 104 HB ILE 104 6.029 8.128 2.728 819 HG12 ILE 104 HG12 ILE 104 3.781 6.195 3.368 820 HG13 ILE 104 HG13 ILE 104 5.255 5.744 2.517 821 HG21 ILE 104 HG21 ILE 104 4.900 9.198 4.432 822 HG22 ILE 104 HG22 ILE 104 3.400 8.313 4.132 823 HG23 ILE 104 HG23 ILE 104 3.851 9.662 3.097 824 HD11 ILE 104 HD11 ILE 104 6.550 6.655 4.512 825 HD12 ILE 104 HD12 ILE 104 5.613 5.192 4.816 826 HD13 ILE 104 HD13 ILE 104 5.002 6.754 5.356 827 H LYS 105 H LYS 105 6.720 8.410 0.373 828 HA LYS 105 HA LYS 105 6.665 6.355 -1.684 829 HB2 LYS 105 HB2 LYS 105 8.766 8.345 -0.816 830 HB3 LYS 105 HB3 LYS 105 9.014 7.175 -2.108 831 HG2 LYS 105 HG2 LYS 105 7.071 8.099 -3.316 832 HG3 LYS 105 HG3 LYS 105 6.814 9.268 -2.020 833 HD2 LYS 105 HD2 LYS 105 9.080 10.193 -2.432 834 HD3 LYS 105 HD3 LYS 105 9.303 9.037 -3.740 835 HE2 LYS 105 HE2 LYS 105 7.380 10.021 -4.946 836 HE3 LYS 105 HE3 LYS 105 7.166 11.181 -3.637 837 HZ1 LYS 105 HZ1 LYS 105 9.859 11.089 -4.575 838 HZ2 LYS 105 HZ2 LYS 105 8.830 12.425 -4.383 839 HZ3 LYS 105 HZ3 LYS 105 8.774 11.509 -5.808 Start of MODEL 11 1 H LYS 15 H LYS 15 -19.537 -17.543 4.923 2 HA LYS 15 HA LYS 15 -17.580 -17.121 3.427 3 HB2 LYS 15 HB2 LYS 15 -17.997 -19.240 4.659 4 HB3 LYS 15 HB3 LYS 15 -18.945 -19.832 3.301 5 HG2 LYS 15 HG2 LYS 15 -16.982 -19.662 1.832 6 HG3 LYS 15 HG3 LYS 15 -16.023 -19.021 3.166 7 HD2 LYS 15 HD2 LYS 15 -16.410 -21.128 4.427 8 HD3 LYS 15 HD3 LYS 15 -17.333 -21.761 3.072 9 HE2 LYS 15 HE2 LYS 15 -15.343 -21.561 1.613 10 HE3 LYS 15 HE3 LYS 15 -14.413 -20.912 2.956 11 HZ1 LYS 15 HZ1 LYS 15 -14.045 -23.277 2.650 12 HZ2 LYS 15 HZ2 LYS 15 -15.694 -23.593 2.897 13 HZ3 LYS 15 HZ3 LYS 15 -14.754 -22.963 4.161 14 H GLU 16 H GLU 16 -19.416 -19.499 1.652 15 HA GLU 16 HA GLU 16 -18.696 -18.549 -0.873 16 HB2 GLU 16 HB2 GLU 16 -19.374 -20.872 -0.375 17 HB3 GLU 16 HB3 GLU 16 -21.024 -20.328 -0.091 18 HG2 GLU 16 HG2 GLU 16 -21.178 -19.555 -2.429 19 HG3 GLU 16 HG3 GLU 16 -19.513 -20.061 -2.707 20 H ARG 17 H ARG 17 -21.709 -18.150 0.956 21 HA ARG 17 HA ARG 17 -23.182 -16.698 -0.878 22 HB2 ARG 17 HB2 ARG 17 -24.026 -17.571 1.275 23 HB3 ARG 17 HB3 ARG 17 -23.103 -16.340 2.132 24 HG2 ARG 17 HG2 ARG 17 -24.377 -14.576 0.935 25 HG3 ARG 17 HG3 ARG 17 -25.298 -15.829 0.102 26 HD2 ARG 17 HD2 ARG 17 -26.022 -16.702 2.341 27 HD3 ARG 17 HD3 ARG 17 -25.230 -15.314 3.086 28 HE ARG 17 HE ARG 17 -26.977 -14.366 1.103 29 HH11 ARG 17 HH11 ARG 17 -26.914 -15.718 4.299 30 HH12 ARG 17 HH12 ARG 17 -28.589 -15.399 4.608 31 HH21 ARG 17 HH21 ARG 17 -29.138 -13.752 1.643 32 HH22 ARG 17 HH22 ARG 17 -29.563 -13.776 3.323 33 H ILE 18 H ILE 18 -20.916 -15.457 1.574 34 HA ILE 18 HA ILE 18 -21.256 -12.760 0.998 35 HB ILE 18 HB ILE 18 -18.894 -14.262 2.120 36 HG12 ILE 18 HG12 ILE 18 -20.949 -12.486 3.459 37 HG13 ILE 18 HG13 ILE 18 -21.121 -14.238 3.335 38 HG21 ILE 18 HG21 ILE 18 -19.404 -11.273 1.993 39 HG22 ILE 18 HG22 ILE 18 -18.066 -12.135 1.228 40 HG23 ILE 18 HG23 ILE 18 -18.167 -12.033 2.986 41 HD11 ILE 18 HD11 ILE 18 -20.074 -14.193 5.358 42 HD12 ILE 18 HD12 ILE 18 -19.307 -12.628 5.056 43 HD13 ILE 18 HD13 ILE 18 -18.620 -14.104 4.366 44 H ASP 19 H ASP 19 -18.993 -15.093 -0.381 45 HA ASP 19 HA ASP 19 -17.606 -13.281 -2.068 46 HB2 ASP 19 HB2 ASP 19 -17.930 -16.264 -1.940 47 HB3 ASP 19 HB3 ASP 19 -17.201 -15.552 -3.374 48 H ILE 20 H ILE 20 -20.496 -15.316 -2.603 49 HA ILE 20 HA ILE 20 -21.071 -14.459 -5.212 50 HB ILE 20 HB ILE 20 -22.911 -15.260 -2.948 51 HG12 ILE 20 HG12 ILE 20 -21.363 -17.016 -3.750 52 HG13 ILE 20 HG13 ILE 20 -23.033 -17.390 -4.154 53 HG21 ILE 20 HG21 ILE 20 -23.512 -14.758 -5.873 54 HG22 ILE 20 HG22 ILE 20 -24.184 -13.897 -4.491 55 HG23 ILE 20 HG23 ILE 20 -24.613 -15.581 -4.764 56 HD11 ILE 20 HD11 ILE 20 -20.798 -16.561 -5.969 57 HD12 ILE 20 HD12 ILE 20 -22.466 -16.190 -6.419 58 HD13 ILE 20 HD13 ILE 20 -21.970 -17.859 -6.158 59 H LEU 21 H LEU 21 -21.959 -13.027 -2.087 60 HA LEU 21 HA LEU 21 -23.456 -10.876 -3.068 61 HB2 LEU 21 HB2 LEU 21 -21.854 -11.170 -0.532 62 HB3 LEU 21 HB3 LEU 21 -22.873 -9.773 -0.871 63 HG LEU 21 HG LEU 21 -23.917 -12.610 -0.957 64 HD11 LEU 21 HD11 LEU 21 -23.806 -12.620 1.309 65 HD12 LEU 21 HD12 LEU 21 -24.968 -11.297 1.292 66 HD13 LEU 21 HD13 LEU 21 -23.240 -10.951 1.340 67 HD21 LEU 21 HD21 LEU 21 -25.119 -9.844 -1.030 68 HD22 LEU 21 HD22 LEU 21 -26.078 -11.230 -0.513 69 HD23 LEU 21 HD23 LEU 21 -25.392 -11.187 -2.138 70 H PHE 22 H PHE 22 -19.974 -11.186 -2.502 71 HA PHE 22 HA PHE 22 -19.166 -8.556 -2.888 72 HB2 PHE 22 HB2 PHE 22 -17.711 -10.457 -2.183 73 HB3 PHE 22 HB3 PHE 22 -17.794 -11.103 -3.816 74 HD1 PHE 22 HD1 PHE 22 -16.853 -9.772 -5.736 75 HD2 PHE 22 HD2 PHE 22 -15.947 -9.144 -1.603 76 HE1 PHE 22 HE1 PHE 22 -14.797 -8.559 -6.379 77 HE2 PHE 22 HE2 PHE 22 -13.644 -8.535 -2.261 78 HZ PHE 22 HZ PHE 22 -13.144 -7.980 -4.625 79 H SER 23 H SER 23 -19.654 -11.157 -5.278 80 HA SER 23 HA SER 23 -19.009 -9.667 -7.597 81 HB2 SER 23 HB2 SER 23 -19.091 -12.025 -7.829 82 HB3 SER 23 HB3 SER 23 -20.689 -12.121 -7.105 83 HG SER 23 HG SER 23 -20.573 -10.511 -9.317 84 H LEU 24 H LEU 24 -22.150 -10.313 -6.027 85 HA LEU 24 HA LEU 24 -23.747 -8.831 -7.771 86 HB2 LEU 24 HB2 LEU 24 -24.093 -9.421 -4.832 87 HB3 LEU 24 HB3 LEU 24 -25.324 -8.624 -5.803 88 HG LEU 24 HG LEU 24 -24.108 -11.309 -6.545 89 HD11 LEU 24 HD11 LEU 24 -25.552 -11.010 -4.305 90 HD12 LEU 24 HD12 LEU 24 -25.729 -12.424 -5.345 91 HD13 LEU 24 HD13 LEU 24 -26.878 -11.094 -5.462 92 HD21 LEU 24 HD21 LEU 24 -25.221 -10.954 -8.467 93 HD22 LEU 24 HD22 LEU 24 -25.910 -9.455 -7.851 94 HD23 LEU 24 HD23 LEU 24 -26.724 -10.990 -7.555 95 H ALA 25 H ALA 25 -22.097 -7.805 -4.807 96 HA ALA 25 HA ALA 25 -22.968 -5.152 -4.774 97 HB1 ALA 25 HB1 ALA 25 -21.762 -6.212 -2.903 98 HB2 ALA 25 HB2 ALA 25 -20.996 -4.703 -3.390 99 HB3 ALA 25 HB3 ALA 25 -20.289 -6.247 -3.875 100 H GLU 26 H GLU 26 -20.244 -6.676 -6.458 101 HA GLU 26 HA GLU 26 -19.057 -4.319 -7.402 102 HB2 GLU 26 HB2 GLU 26 -17.980 -6.537 -7.341 103 HB3 GLU 26 HB3 GLU 26 -19.062 -7.097 -8.608 104 HG2 GLU 26 HG2 GLU 26 -18.146 -5.420 -10.152 105 HG3 GLU 26 HG3 GLU 26 -17.113 -4.794 -8.873 106 H ARG 27 H ARG 27 -21.454 -6.443 -9.055 107 HA ARG 27 HA ARG 27 -21.575 -4.882 -11.402 108 HB2 ARG 27 HB2 ARG 27 -22.412 -7.184 -11.293 109 HB3 ARG 27 HB3 ARG 27 -23.717 -6.659 -10.230 110 HG2 ARG 27 HG2 ARG 27 -24.522 -5.114 -11.996 111 HG3 ARG 27 HG3 ARG 27 -23.242 -5.691 -13.068 112 HD2 ARG 27 HD2 ARG 27 -25.381 -7.444 -11.831 113 HD3 ARG 27 HD3 ARG 27 -25.454 -6.814 -13.471 114 HE ARG 27 HE ARG 27 -23.652 -8.903 -12.508 115 HH11 ARG 27 HH11 ARG 27 -23.872 -6.366 -14.794 116 HH12 ARG 27 HH12 ARG 27 -23.258 -7.296 -16.123 117 HH21 ARG 27 HH21 ARG 27 -22.791 -10.139 -14.196 118 HH22 ARG 27 HH22 ARG 27 -22.312 -9.303 -15.638 119 H VAL 28 H VAL 28 -23.624 -4.811 -8.498 120 HA VAL 28 HA VAL 28 -25.390 -2.829 -9.429 121 HB VAL 28 HB VAL 28 -25.922 -4.305 -7.550 122 HG11 VAL 28 HG11 VAL 28 -24.024 -2.652 -5.884 123 HG12 VAL 28 HG12 VAL 28 -23.580 -4.201 -6.590 124 HG13 VAL 28 HG13 VAL 28 -24.894 -4.118 -5.414 125 HG21 VAL 28 HG21 VAL 28 -27.037 -2.065 -7.793 126 HG22 VAL 28 HG22 VAL 28 -25.858 -1.410 -6.655 127 HG23 VAL 28 HG23 VAL 28 -26.989 -2.653 -6.136 128 H PHE 29 H PHE 29 -22.309 -2.680 -7.835 129 HA PHE 29 HA PHE 29 -22.271 -0.224 -6.725 130 HB2 PHE 29 HB2 PHE 29 -20.364 -2.169 -7.485 131 HB3 PHE 29 HB3 PHE 29 -19.757 -0.642 -8.105 132 HD1 PHE 29 HD1 PHE 29 -21.099 -2.110 -4.804 133 HD2 PHE 29 HD2 PHE 29 -18.341 0.479 -6.690 134 HE1 PHE 29 HE1 PHE 29 -21.349 -0.539 -2.903 135 HE2 PHE 29 HE2 PHE 29 -18.227 1.816 -4.644 136 HZ PHE 29 HZ PHE 29 -19.537 1.105 -2.669 137 HA PRO 30 HA PRO 30 -20.803 2.086 -10.736 138 HB2 PRO 30 HB2 PRO 30 -21.077 0.753 -13.120 139 HB3 PRO 30 HB3 PRO 30 -19.580 0.756 -12.170 140 HG2 PRO 30 HG2 PRO 30 -21.714 -1.329 -12.332 141 HG3 PRO 30 HG3 PRO 30 -19.954 -1.517 -12.306 142 HD2 PRO 30 HD2 PRO 30 -21.523 -1.889 -10.093 143 HD3 PRO 30 HD3 PRO 30 -19.847 -1.315 -9.995 144 H TYR 31 H TYR 31 -23.392 -0.269 -10.953 145 HA TYR 31 HA TYR 31 -25.074 1.092 -12.769 146 HB2 TYR 31 HB2 TYR 31 -25.373 -1.262 -12.265 147 HB3 TYR 31 HB3 TYR 31 -25.712 -0.902 -10.575 148 HD1 TYR 31 HD1 TYR 31 -26.948 -0.337 -14.042 149 HD2 TYR 31 HD2 TYR 31 -27.900 -0.228 -9.863 150 HE1 TYR 31 HE1 TYR 31 -29.248 0.402 -14.574 151 HE2 TYR 31 HE2 TYR 31 -30.327 -0.196 -10.486 152 HH TYR 31 HH TYR 31 -31.351 0.280 -13.789 153 H SER 32 H SER 32 -25.010 0.996 -9.235 154 HA SER 32 HA SER 32 -25.838 3.727 -8.989 155 HB2 SER 32 HB2 SER 32 -28.023 2.489 -9.383 156 HB3 SER 32 HB3 SER 32 -27.727 1.659 -7.856 157 HG SER 32 HG SER 32 -28.462 4.267 -8.354 158 HA PRO 33 HA PRO 33 -23.317 2.833 -5.329 159 HB2 PRO 33 HB2 PRO 33 -24.302 5.594 -4.681 160 HB3 PRO 33 HB3 PRO 33 -22.663 4.922 -4.610 161 HG2 PRO 33 HG2 PRO 33 -23.398 6.549 -6.576 162 HG3 PRO 33 HG3 PRO 33 -22.291 5.192 -6.845 163 HD2 PRO 33 HD2 PRO 33 -25.175 5.455 -7.583 164 HD3 PRO 33 HD3 PRO 33 -23.872 4.586 -8.425 165 H GLU 34 H GLU 34 -26.523 4.352 -5.259 166 HA GLU 34 HA GLU 34 -27.040 3.950 -2.532 167 HB2 GLU 34 HB2 GLU 34 -28.905 4.325 -4.877 168 HB3 GLU 34 HB3 GLU 34 -29.440 4.313 -3.200 169 HG2 GLU 34 HG2 GLU 34 -27.963 6.219 -2.698 170 HG3 GLU 34 HG3 GLU 34 -27.327 6.186 -4.336 171 H LEU 35 H LEU 35 -27.862 1.958 -5.351 172 HA LEU 35 HA LEU 35 -29.438 0.026 -3.939 173 HB2 LEU 35 HB2 LEU 35 -27.965 -0.082 -6.575 174 HB3 LEU 35 HB3 LEU 35 -28.928 -1.423 -5.959 175 HG LEU 35 HG LEU 35 -30.014 1.387 -6.332 176 HD11 LEU 35 HD11 LEU 35 -29.483 -0.715 -8.279 177 HD12 LEU 35 HD12 LEU 35 -29.960 0.955 -8.547 178 HD13 LEU 35 HD13 LEU 35 -31.188 -0.272 -8.232 179 HD21 LEU 35 HD21 LEU 35 -31.182 -1.300 -5.628 180 HD22 LEU 35 HD22 LEU 35 -32.181 -0.061 -6.380 181 HD23 LEU 35 HD23 LEU 35 -31.421 0.248 -4.815 182 H ALA 36 H ALA 36 -26.043 0.375 -4.731 183 HA ALA 36 HA ALA 36 -25.217 -2.247 -4.024 184 HB1 ALA 36 HB1 ALA 36 -23.453 0.191 -3.832 185 HB2 ALA 36 HB2 ALA 36 -23.975 -0.430 -5.395 186 HB3 ALA 36 HB3 ALA 36 -23.033 -1.458 -4.313 187 H LYS 37 H LYS 37 -25.619 0.759 -2.268 188 HA LYS 37 HA LYS 37 -24.200 0.137 0.085 189 HB2 LYS 37 HB2 LYS 37 -24.977 2.379 -0.668 190 HB3 LYS 37 HB3 LYS 37 -26.625 1.914 -0.300 191 HG2 LYS 37 HG2 LYS 37 -24.426 1.934 1.771 192 HG3 LYS 37 HG3 LYS 37 -25.433 3.331 1.439 193 HD2 LYS 37 HD2 LYS 37 -27.439 2.014 2.051 194 HD3 LYS 37 HD3 LYS 37 -26.412 0.635 2.428 195 HE2 LYS 37 HE2 LYS 37 -25.226 1.950 4.130 196 HE3 LYS 37 HE3 LYS 37 -26.212 3.353 3.756 197 HZ1 LYS 37 HZ1 LYS 37 -28.143 2.236 4.524 198 HZ2 LYS 37 HZ2 LYS 37 -26.947 2.050 5.708 199 HZ3 LYS 37 HZ3 LYS 37 -27.325 0.757 4.671 200 H ARG 38 H ARG 38 -27.624 -0.288 -0.833 201 HA ARG 38 HA ARG 38 -28.488 -1.557 1.549 202 HB2 ARG 38 HB2 ARG 38 -29.441 -1.755 -1.327 203 HB3 ARG 38 HB3 ARG 38 -30.284 -2.493 0.022 204 HG2 ARG 38 HG2 ARG 38 -29.696 0.477 -0.175 205 HG3 ARG 38 HG3 ARG 38 -31.212 -0.262 -0.669 206 HD2 ARG 38 HD2 ARG 38 -31.490 -1.134 1.658 207 HD3 ARG 38 HD3 ARG 38 -30.017 -0.303 2.127 208 HE ARG 38 HE ARG 38 -32.570 0.986 1.432 209 HH11 ARG 38 HH11 ARG 38 -29.160 1.436 2.141 210 HH12 ARG 38 HH12 ARG 38 -29.374 3.139 1.914 211 HH21 ARG 38 HH21 ARG 38 -32.685 3.213 1.859 212 HH22 ARG 38 HH22 ARG 38 -31.444 3.907 2.841 213 H TYR 39 H TYR 39 -27.168 -2.867 -1.492 214 HA TYR 39 HA TYR 39 -27.514 -5.603 -0.841 215 HB2 TYR 39 HB2 TYR 39 -25.933 -4.129 -2.894 216 HB3 TYR 39 HB3 TYR 39 -25.629 -5.844 -2.643 217 HD1 TYR 39 HD1 TYR 39 -28.672 -3.580 -2.915 218 HD2 TYR 39 HD2 TYR 39 -26.806 -7.291 -3.945 219 HE1 TYR 39 HE1 TYR 39 -30.523 -4.090 -4.426 220 HE2 TYR 39 HE2 TYR 39 -28.682 -7.810 -5.474 221 HH TYR 39 HH TYR 39 -30.383 -5.881 -6.907 222 H VAL 40 H VAL 40 -24.696 -3.483 -0.422 223 HA VAL 40 HA VAL 40 -22.976 -5.500 0.592 224 HB VAL 40 HB VAL 40 -23.007 -2.511 1.061 225 HG11 VAL 40 HG11 VAL 40 -21.055 -4.675 1.863 226 HG12 VAL 40 HG12 VAL 40 -21.781 -3.435 2.887 227 HG13 VAL 40 HG13 VAL 40 -20.556 -2.995 1.701 228 HG21 VAL 40 HG21 VAL 40 -21.827 -4.339 -0.977 229 HG22 VAL 40 HG22 VAL 40 -20.851 -2.966 -0.463 230 HG23 VAL 40 HG23 VAL 40 -22.439 -2.699 -1.172 231 H GLU 41 H GLU 41 -25.406 -3.440 2.085 232 HA GLU 41 HA GLU 41 -24.465 -3.579 4.780 233 HB2 GLU 41 HB2 GLU 41 -25.989 -1.840 3.823 234 HB3 GLU 41 HB3 GLU 41 -27.254 -3.055 3.700 235 HG2 GLU 41 HG2 GLU 41 -27.162 -3.404 6.147 236 HG3 GLU 41 HG3 GLU 41 -25.889 -2.206 6.273 237 H LEU 42 H LEU 42 -26.788 -5.266 2.801 238 HA LEU 42 HA LEU 42 -27.593 -7.346 4.448 239 HB2 LEU 42 HB2 LEU 42 -28.558 -6.896 2.307 240 HB3 LEU 42 HB3 LEU 42 -27.026 -7.168 1.491 241 HG LEU 42 HG LEU 42 -27.090 -9.556 2.143 242 HD11 LEU 42 HD11 LEU 42 -28.304 -9.920 4.046 243 HD12 LEU 42 HD12 LEU 42 -29.592 -10.190 2.878 244 HD13 LEU 42 HD13 LEU 42 -29.466 -8.635 3.692 245 HD21 LEU 42 HD21 LEU 42 -29.284 -10.056 0.829 246 HD22 LEU 42 HD22 LEU 42 -27.956 -9.216 0.023 247 HD23 LEU 42 HD23 LEU 42 -29.344 -8.303 0.613 248 H ALA 43 H ALA 43 -24.565 -7.100 2.533 249 HA ALA 43 HA ALA 43 -23.757 -9.799 3.011 250 HB1 ALA 43 HB1 ALA 43 -22.645 -8.833 1.204 251 HB2 ALA 43 HB2 ALA 43 -21.430 -8.752 2.479 252 HB3 ALA 43 HB3 ALA 43 -22.363 -7.322 2.063 253 H LEU 44 H LEU 44 -23.166 -6.721 4.670 254 HA LEU 44 HA LEU 44 -21.305 -7.657 6.554 255 HB2 LEU 44 HB2 LEU 44 -23.171 -5.326 6.447 256 HB3 LEU 44 HB3 LEU 44 -22.298 -5.665 7.932 257 HG LEU 44 HG LEU 44 -21.223 -4.043 6.226 258 HD11 LEU 44 HD11 LEU 44 -18.915 -5.177 6.678 259 HD12 LEU 44 HD12 LEU 44 -19.854 -6.362 7.579 260 HD13 LEU 44 HD13 LEU 44 -19.882 -4.662 8.053 261 HD21 LEU 44 HD21 LEU 44 -19.959 -4.972 4.425 262 HD22 LEU 44 HD22 LEU 44 -21.578 -5.626 4.265 263 HD23 LEU 44 HD23 LEU 44 -20.290 -6.621 4.944 264 H LEU 45 H LEU 45 -24.859 -7.435 6.763 265 HA LEU 45 HA LEU 45 -25.133 -8.595 9.310 266 HB2 LEU 45 HB2 LEU 45 -26.947 -8.383 6.940 267 HB3 LEU 45 HB3 LEU 45 -27.411 -9.401 8.299 268 HG LEU 45 HG LEU 45 -27.085 -7.450 9.817 269 HD11 LEU 45 HD11 LEU 45 -26.818 -5.221 8.944 270 HD12 LEU 45 HD12 LEU 45 -26.917 -5.792 7.288 271 HD13 LEU 45 HD13 LEU 45 -25.511 -6.192 8.277 272 HD21 LEU 45 HD21 LEU 45 -29.140 -6.238 9.046 273 HD22 LEU 45 HD22 LEU 45 -29.321 -7.991 8.988 274 HD23 LEU 45 HD23 LEU 45 -29.019 -7.085 7.507 275 H VAL 46 H VAL 46 -24.981 -10.094 6.088 276 HA VAL 46 HA VAL 46 -25.296 -12.753 6.903 277 HB VAL 46 HB VAL 46 -23.797 -11.524 4.580 278 HG11 VAL 46 HG11 VAL 46 -23.763 -13.755 3.578 279 HG12 VAL 46 HG12 VAL 46 -24.505 -14.439 5.020 280 HG13 VAL 46 HG13 VAL 46 -22.867 -13.776 5.094 281 HG21 VAL 46 HG21 VAL 46 -26.376 -13.096 4.591 282 HG22 VAL 46 HG22 VAL 46 -25.763 -12.018 3.337 283 HG23 VAL 46 HG23 VAL 46 -26.361 -11.360 4.860 284 H GLN 47 H GLN 47 -22.325 -10.780 6.632 285 HA GLN 47 HA GLN 47 -20.504 -12.835 7.126 286 HB2 GLN 47 HB2 GLN 47 -19.920 -10.609 6.260 287 HB3 GLN 47 HB3 GLN 47 -20.308 -9.891 7.819 288 HG2 GLN 47 HG2 GLN 47 -18.528 -11.281 8.880 289 HG3 GLN 47 HG3 GLN 47 -18.130 -11.954 7.300 290 HE21 GLN 47 HE21 GLN 47 -16.215 -10.955 6.620 291 HE22 GLN 47 HE22 GLN 47 -16.056 -9.276 6.478 292 H GLN 48 H GLN 48 -21.893 -10.483 9.482 293 HA GLN 48 HA GLN 48 -20.671 -11.647 11.709 294 HB2 GLN 48 HB2 GLN 48 -22.231 -10.373 13.071 295 HB3 GLN 48 HB3 GLN 48 -21.643 -9.401 11.729 296 HG2 GLN 48 HG2 GLN 48 -23.708 -9.885 10.472 297 HG3 GLN 48 HG3 GLN 48 -24.306 -10.843 11.823 298 HE21 GLN 48 HE21 GLN 48 -26.122 -9.095 11.610 299 HE22 GLN 48 HE22 GLN 48 -25.944 -7.860 12.759 300 H LYS 49 H LYS 49 -23.888 -12.306 10.334 301 HA LYS 49 HA LYS 49 -24.685 -14.162 12.306 302 HB2 LYS 49 HB2 LYS 49 -25.477 -13.931 9.397 303 HB3 LYS 49 HB3 LYS 49 -26.264 -14.988 10.561 304 HG2 LYS 49 HG2 LYS 49 -26.049 -11.971 10.863 305 HG3 LYS 49 HG3 LYS 49 -27.461 -12.813 10.238 306 HD2 LYS 49 HD2 LYS 49 -27.674 -14.021 12.386 307 HD3 LYS 49 HD3 LYS 49 -26.271 -13.178 13.019 308 HE2 LYS 49 HE2 LYS 49 -27.427 -11.007 12.726 309 HE3 LYS 49 HE3 LYS 49 -28.836 -11.840 12.083 310 HZ1 LYS 49 HZ1 LYS 49 -29.223 -12.892 14.136 311 HZ2 LYS 49 HZ2 LYS 49 -28.900 -11.269 14.511 312 HZ3 LYS 49 HZ3 LYS 49 -27.705 -12.453 14.753 313 H ALA 50 H ALA 50 -22.994 -14.638 9.211 314 HA ALA 50 HA ALA 50 -22.690 -17.464 9.594 315 HB1 ALA 50 HB1 ALA 50 -21.102 -15.643 7.776 316 HB2 ALA 50 HB2 ALA 50 -22.693 -16.280 7.376 317 HB3 ALA 50 HB3 ALA 50 -21.332 -17.385 7.611 318 H LYS 51 H LYS 51 -21.181 -14.786 10.978 319 HA LYS 51 HA LYS 51 -19.201 -14.414 12.067 320 HB2 LYS 51 HB2 LYS 51 -20.562 -16.247 13.347 321 HB3 LYS 51 HB3 LYS 51 -19.253 -17.314 12.843 322 HG2 LYS 51 HG2 LYS 51 -17.598 -15.851 13.898 323 HG3 LYS 51 HG3 LYS 51 -18.843 -14.662 14.264 324 HD2 LYS 51 HD2 LYS 51 -19.977 -16.340 15.714 325 HD3 LYS 51 HD3 LYS 51 -18.671 -17.481 15.379 326 HE2 LYS 51 HE2 LYS 51 -18.244 -14.743 16.619 327 HE3 LYS 51 HE3 LYS 51 -18.376 -16.240 17.547 328 HZ1 LYS 51 HZ1 LYS 51 -16.090 -15.739 17.162 329 HZ2 LYS 51 HZ2 LYS 51 -16.344 -15.625 15.485 330 HZ3 LYS 51 HZ3 LYS 51 -16.516 -17.123 16.278 331 H VAL 52 H VAL 52 -18.418 -14.514 9.586 332 HA VAL 52 HA VAL 52 -16.129 -16.383 9.557 333 HB VAL 52 HB VAL 52 -16.200 -16.259 7.059 334 HG11 VAL 52 HG11 VAL 52 -17.149 -18.280 7.355 335 HG12 VAL 52 HG12 VAL 52 -18.727 -17.498 7.284 336 HG13 VAL 52 HG13 VAL 52 -17.936 -17.744 8.837 337 HG21 VAL 52 HG21 VAL 52 -17.540 -14.225 6.816 338 HG22 VAL 52 HG22 VAL 52 -18.920 -15.024 7.577 339 HG23 VAL 52 HG23 VAL 52 -18.331 -15.575 6.010 340 H LYS 53 H LYS 53 -14.195 -15.468 9.393 341 HA LYS 53 HA LYS 53 -14.108 -12.547 9.254 342 HB2 LYS 53 HB2 LYS 53 -12.098 -14.617 10.161 343 HB3 LYS 53 HB3 LYS 53 -11.779 -12.885 10.134 344 HG2 LYS 53 HG2 LYS 53 -13.682 -12.508 11.664 345 HG3 LYS 53 HG3 LYS 53 -14.018 -14.240 11.687 346 HD2 LYS 53 HD2 LYS 53 -11.792 -14.669 12.633 347 HD3 LYS 53 HD3 LYS 53 -11.441 -12.943 12.616 348 HE2 LYS 53 HE2 LYS 53 -13.324 -12.541 14.170 349 HE3 LYS 53 HE3 LYS 53 -13.689 -14.265 14.182 350 HZ1 LYS 53 HZ1 LYS 53 -12.055 -14.659 15.605 351 HZ2 LYS 53 HZ2 LYS 53 -12.003 -12.986 15.873 352 HZ3 LYS 53 HZ3 LYS 53 -10.942 -13.698 14.754 353 H ILE 54 H ILE 54 -13.055 -11.432 7.767 354 HA ILE 54 HA ILE 54 -11.265 -12.750 5.834 355 HB ILE 54 HB ILE 54 -12.602 -10.983 4.236 356 HG12 ILE 54 HG12 ILE 54 -14.674 -12.260 6.053 357 HG13 ILE 54 HG13 ILE 54 -14.294 -10.543 5.993 358 HG21 ILE 54 HG21 ILE 54 -13.746 -13.021 3.318 359 HG22 ILE 54 HG22 ILE 54 -13.182 -13.914 4.735 360 HG23 ILE 54 HG23 ILE 54 -12.022 -13.244 3.592 361 HD11 ILE 54 HD11 ILE 54 -14.859 -10.753 3.444 362 HD12 ILE 54 HD12 ILE 54 -16.185 -10.716 4.602 363 HD13 ILE 54 HD13 ILE 54 -15.657 -12.253 3.927 364 HA PRO 55 HA PRO 55 -9.190 -9.227 7.669 365 HB2 PRO 55 HB2 PRO 55 -7.094 -9.939 5.646 366 HB3 PRO 55 HB3 PRO 55 -6.922 -9.627 7.381 367 HG2 PRO 55 HG2 PRO 55 -6.866 -12.100 6.389 368 HG3 PRO 55 HG3 PRO 55 -7.602 -11.745 7.956 369 HD2 PRO 55 HD2 PRO 55 -8.918 -12.390 5.344 370 HD3 PRO 55 HD3 PRO 55 -9.468 -12.713 7.002 371 H ARG 56 H ARG 56 -9.177 -9.677 4.134 372 HA ARG 56 HA ARG 56 -9.241 -6.746 3.847 373 HB2 ARG 56 HB2 ARG 56 -8.055 -8.884 2.085 374 HB3 ARG 56 HB3 ARG 56 -8.216 -7.195 1.596 375 HG2 ARG 56 HG2 ARG 56 -6.946 -6.480 3.572 376 HG3 ARG 56 HG3 ARG 56 -6.788 -8.153 4.099 377 HD2 ARG 56 HD2 ARG 56 -5.526 -8.668 2.040 378 HD3 ARG 56 HD3 ARG 56 -5.664 -6.985 1.541 379 HE ARG 56 HE ARG 56 -4.028 -8.008 3.759 380 HH11 ARG 56 HH11 ARG 56 -5.521 -5.201 2.424 381 HH12 ARG 56 HH12 ARG 56 -4.237 -4.136 2.873 382 HH21 ARG 56 HH21 ARG 56 -2.545 -6.566 4.635 383 HH22 ARG 56 HH22 ARG 56 -2.531 -4.910 4.127 384 H LYS 57 H LYS 57 -11.048 -9.674 2.844 385 HA LYS 57 HA LYS 57 -11.843 -8.607 0.407 386 HB2 LYS 57 HB2 LYS 57 -13.295 -10.652 2.054 387 HB3 LYS 57 HB3 LYS 57 -13.838 -10.154 0.464 388 HG2 LYS 57 HG2 LYS 57 -11.670 -10.937 -0.482 389 HG3 LYS 57 HG3 LYS 57 -11.183 -11.473 1.133 390 HD2 LYS 57 HD2 LYS 57 -13.166 -12.919 1.262 391 HD3 LYS 57 HD3 LYS 57 -13.690 -12.373 -0.325 392 HE2 LYS 57 HE2 LYS 57 -11.668 -13.371 -1.341 393 HE3 LYS 57 HE3 LYS 57 -11.147 -13.927 0.250 394 HZ1 LYS 57 HZ1 LYS 57 -13.802 -14.612 -0.841 395 HZ2 LYS 57 HZ2 LYS 57 -12.932 -15.395 0.390 396 HZ3 LYS 57 HZ3 LYS 57 -12.428 -15.534 -1.224 397 H TRP 58 H TRP 58 -13.770 -8.477 3.483 398 HA TRP 58 HA TRP 58 -15.360 -6.414 2.093 399 HB2 TRP 58 HB2 TRP 58 -16.084 -8.536 3.985 400 HB3 TRP 58 HB3 TRP 58 -16.770 -6.970 4.397 401 HD1 TRP 58 HD1 TRP 58 -17.316 -9.867 2.168 402 HE1 TRP 58 HE1 TRP 58 -19.202 -9.343 0.465 403 HE3 TRP 58 HE3 TRP 58 -17.073 -4.801 2.258 404 HZ2 TRP 58 HZ2 TRP 58 -20.467 -6.943 -0.617 405 HZ3 TRP 58 HZ3 TRP 58 -18.008 -3.561 0.321 406 HH2 TRP 58 HH2 TRP 58 -19.644 -4.649 -1.171 407 H LYS 59 H LYS 59 -13.420 -7.014 4.925 408 HA LYS 59 HA LYS 59 -14.205 -4.765 6.418 409 HB2 LYS 59 HB2 LYS 59 -11.683 -6.421 6.444 410 HB3 LYS 59 HB3 LYS 59 -12.001 -5.147 7.622 411 HG2 LYS 59 HG2 LYS 59 -14.111 -6.272 8.261 412 HG3 LYS 59 HG3 LYS 59 -13.789 -7.535 7.073 413 HD2 LYS 59 HD2 LYS 59 -11.715 -8.136 8.258 414 HD3 LYS 59 HD3 LYS 59 -12.012 -6.865 9.442 415 HE2 LYS 59 HE2 LYS 59 -14.112 -7.963 10.108 416 HE3 LYS 59 HE3 LYS 59 -13.843 -9.235 8.914 417 HZ1 LYS 59 HZ1 LYS 59 -12.582 -8.793 11.477 418 HZ2 LYS 59 HZ2 LYS 59 -11.528 -9.258 10.227 419 HZ3 LYS 59 HZ3 LYS 59 -12.855 -10.242 10.639 420 H ARG 60 H ARG 60 -11.708 -5.123 3.956 421 HA ARG 60 HA ARG 60 -10.794 -2.355 4.414 422 HB2 ARG 60 HB2 ARG 60 -9.675 -4.587 2.679 423 HB3 ARG 60 HB3 ARG 60 -8.966 -2.981 2.840 424 HG2 ARG 60 HG2 ARG 60 -9.474 -4.844 5.181 425 HG3 ARG 60 HG3 ARG 60 -7.929 -4.707 4.349 426 HD2 ARG 60 HD2 ARG 60 -7.853 -2.300 4.900 427 HD3 ARG 60 HD3 ARG 60 -9.389 -2.432 5.742 428 HE ARG 60 HE ARG 60 -6.848 -3.636 6.637 429 HH11 ARG 60 HH11 ARG 60 -10.283 -3.439 7.054 430 HH12 ARG 60 HH12 ARG 60 -10.210 -3.299 8.775 431 HH21 ARG 60 HH21 ARG 60 -6.944 -4.564 8.715 432 HH22 ARG 60 HH22 ARG 60 -8.321 -4.241 9.714 433 H ARG 61 H ARG 61 -12.999 -4.075 2.736 434 HA ARG 61 HA ARG 61 -12.806 -2.614 0.232 435 HB2 ARG 61 HB2 ARG 61 -12.866 -5.047 0.252 436 HB3 ARG 61 HB3 ARG 61 -14.447 -5.019 1.014 437 HG2 ARG 61 HG2 ARG 61 -15.423 -3.937 -0.949 438 HG3 ARG 61 HG3 ARG 61 -13.825 -3.825 -1.693 439 HD2 ARG 61 HD2 ARG 61 -13.648 -6.271 -1.708 440 HD3 ARG 61 HD3 ARG 61 -15.224 -6.408 -0.945 441 HE ARG 61 HE ARG 61 -14.714 -5.655 -3.729 442 HH11 ARG 61 HH11 ARG 61 -16.928 -6.017 -1.097 443 HH12 ARG 61 HH12 ARG 61 -18.285 -6.318 -2.121 444 HH21 ARG 61 HH21 ARG 61 -16.406 -6.784 -4.871 445 HH22 ARG 61 HH22 ARG 61 -18.021 -6.572 -4.309 446 H TYR 62 H TYR 62 -14.076 -1.441 2.868 447 HA TYR 62 HA TYR 62 -16.711 -0.824 1.708 448 HB2 TYR 62 HB2 TYR 62 -17.956 -1.748 3.399 449 HB3 TYR 62 HB3 TYR 62 -16.665 -2.932 3.247 450 HD1 TYR 62 HD1 TYR 62 -14.440 -2.014 4.719 451 HD2 TYR 62 HD2 TYR 62 -18.577 -2.031 5.622 452 HE1 TYR 62 HE1 TYR 62 -13.932 -1.404 7.058 453 HE2 TYR 62 HE2 TYR 62 -18.065 -1.891 8.023 454 HH TYR 62 HH TYR 62 -15.485 -0.698 9.349 455 H CYS 63 H CYS 63 -17.907 0.804 2.862 456 HA CYS 63 HA CYS 63 -16.234 2.933 3.973 457 HB2 CYS 63 HB2 CYS 63 -18.327 3.134 2.332 458 HB3 CYS 63 HB3 CYS 63 -19.205 3.146 3.856 459 H LYS 64 H LYS 64 -16.290 3.609 6.073 460 HA LYS 64 HA LYS 64 -16.926 1.808 8.083 461 HB2 LYS 64 HB2 LYS 64 -15.336 3.723 8.245 462 HB3 LYS 64 HB3 LYS 64 -16.717 4.819 8.305 463 HG2 LYS 64 HG2 LYS 64 -17.490 3.769 10.385 464 HG3 LYS 64 HG3 LYS 64 -16.166 2.603 10.302 465 HD2 LYS 64 HD2 LYS 64 -14.538 4.457 10.464 466 HD3 LYS 64 HD3 LYS 64 -15.867 5.610 10.576 467 HE2 LYS 64 HE2 LYS 64 -15.324 3.363 12.544 468 HE3 LYS 64 HE3 LYS 64 -14.980 5.067 12.806 469 HZ1 LYS 64 HZ1 LYS 64 -17.323 5.566 12.530 470 HZ2 LYS 64 HZ2 LYS 64 -17.068 4.481 13.808 471 HZ3 LYS 64 HZ3 LYS 64 -17.668 3.912 12.326 472 H LYS 65 H LYS 65 -18.850 4.620 6.956 473 HA LYS 65 HA LYS 65 -21.008 3.892 8.787 474 HB2 LYS 65 HB2 LYS 65 -20.499 6.278 8.460 475 HB3 LYS 65 HB3 LYS 65 -20.911 6.116 6.753 476 HG2 LYS 65 HG2 LYS 65 -23.188 5.412 7.331 477 HG3 LYS 65 HG3 LYS 65 -22.797 5.480 9.045 478 HD2 LYS 65 HD2 LYS 65 -22.349 7.903 8.846 479 HD3 LYS 65 HD3 LYS 65 -22.740 7.837 7.129 480 HE2 LYS 65 HE2 LYS 65 -24.688 8.614 8.395 481 HE3 LYS 65 HE3 LYS 65 -25.028 7.027 7.719 482 HZ1 LYS 65 HZ1 LYS 65 -25.630 7.362 10.119 483 HZ2 LYS 65 HZ2 LYS 65 -23.966 7.387 10.459 484 HZ3 LYS 65 HZ3 LYS 65 -24.671 5.998 9.786 485 H CYS 66 H CYS 66 -20.386 4.067 5.311 486 HA CYS 66 HA CYS 66 -23.085 3.503 4.693 487 HB2 CYS 66 HB2 CYS 66 -20.739 3.420 2.778 488 HB3 CYS 66 HB3 CYS 66 -22.442 3.595 2.371 489 H HIS 67 H HIS 67 -20.281 1.495 4.940 490 HA HIS 67 HA HIS 67 -19.915 -0.735 4.601 491 HB2 HIS 67 HB2 HIS 67 -22.950 -0.880 4.726 492 HB3 HIS 67 HB3 HIS 67 -21.847 -2.238 4.891 493 HD1 HIS 67 HD1 HIS 67 -23.041 0.891 6.625 494 HD2 HIS 67 HD2 HIS 67 -20.590 -2.421 7.451 495 HE1 HIS 67 HE1 HIS 67 -22.401 1.025 9.083 496 HE2 HIS 67 HE2 HIS 67 -21.024 -1.035 9.630 497 H ALA 68 H ALA 68 -19.528 0.585 2.435 498 HA ALA 68 HA ALA 68 -20.935 -0.826 0.250 499 HB1 ALA 68 HB1 ALA 68 -20.956 1.225 -1.048 500 HB2 ALA 68 HB2 ALA 68 -20.095 2.086 0.237 501 HB3 ALA 68 HB3 ALA 68 -21.743 1.523 0.497 502 H PHE 69 H PHE 69 -19.703 -0.921 -1.778 503 HA PHE 69 HA PHE 69 -17.151 -2.076 -1.096 504 HB2 PHE 69 HB2 PHE 69 -18.474 -3.179 -2.750 505 HB3 PHE 69 HB3 PHE 69 -18.686 -1.698 -3.665 506 HD1 PHE 69 HD1 PHE 69 -15.288 -2.378 -2.400 507 HD2 PHE 69 HD2 PHE 69 -18.033 -3.128 -5.607 508 HE1 PHE 69 HE1 PHE 69 -13.453 -2.959 -3.956 509 HE2 PHE 69 HE2 PHE 69 -16.413 -4.894 -6.327 510 HZ PHE 69 HZ PHE 69 -13.957 -4.231 -6.020 511 H LEU 70 H LEU 70 -15.232 -0.957 -1.075 512 HA LEU 70 HA LEU 70 -15.567 1.857 -1.605 513 HB2 LEU 70 HB2 LEU 70 -14.516 0.590 0.492 514 HB3 LEU 70 HB3 LEU 70 -13.036 0.755 -0.442 515 HG LEU 70 HG LEU 70 -13.155 2.681 0.961 516 HD11 LEU 70 HD11 LEU 70 -14.363 3.909 -1.486 517 HD12 LEU 70 HD12 LEU 70 -12.853 3.019 -1.663 518 HD13 LEU 70 HD13 LEU 70 -12.937 4.391 -0.566 519 HD21 LEU 70 HD21 LEU 70 -15.867 2.246 0.975 520 HD22 LEU 70 HD22 LEU 70 -15.737 3.745 0.054 521 HD23 LEU 70 HD23 LEU 70 -15.054 3.640 1.679 522 H VAL 71 H VAL 71 -15.426 2.078 -3.746 523 HA VAL 71 HA VAL 71 -12.802 1.616 -5.031 524 HB VAL 71 HB VAL 71 -15.349 1.317 -6.587 525 HG11 VAL 71 HG11 VAL 71 -13.985 0.258 -8.160 526 HG12 VAL 71 HG12 VAL 71 -12.783 -0.199 -6.956 527 HG13 VAL 71 HG13 VAL 71 -12.897 1.471 -7.490 528 HG21 VAL 71 HG21 VAL 71 -15.837 -0.348 -5.027 529 HG22 VAL 71 HG22 VAL 71 -14.135 -0.689 -4.708 530 HG23 VAL 71 HG23 VAL 71 -14.883 -1.243 -6.204 531 HA PRO 72 HA PRO 72 -13.631 5.983 -5.819 532 HB2 PRO 72 HB2 PRO 72 -11.219 5.799 -7.543 533 HB3 PRO 72 HB3 PRO 72 -11.581 6.888 -6.197 534 HG2 PRO 72 HG2 PRO 72 -9.824 4.850 -6.011 535 HG3 PRO 72 HG3 PRO 72 -10.784 5.415 -4.633 536 HD2 PRO 72 HD2 PRO 72 -11.136 2.961 -6.301 537 HD3 PRO 72 HD3 PRO 72 -11.491 3.225 -4.577 538 H GLY 73 H GLY 73 -14.684 6.988 -7.412 539 HA2 GLY 73 HA2 GLY 73 -15.110 7.594 -9.670 540 HA3 GLY 73 HA3 GLY 73 -14.564 6.005 -10.186 541 H ILE 74 H ILE 74 -16.449 5.190 -7.621 542 HA ILE 74 HA ILE 74 -18.666 4.721 -9.518 543 HB ILE 74 HB ILE 74 -17.495 2.786 -7.513 544 HG12 ILE 74 HG12 ILE 74 -17.773 2.553 -10.531 545 HG13 ILE 74 HG13 ILE 74 -16.305 3.126 -9.743 546 HG21 ILE 74 HG21 ILE 74 -20.072 2.860 -9.040 547 HG22 ILE 74 HG22 ILE 74 -19.743 2.244 -7.424 548 HG23 ILE 74 HG23 ILE 74 -19.265 1.311 -8.845 549 HD11 ILE 74 HD11 ILE 74 -16.818 0.822 -8.346 550 HD12 ILE 74 HD12 ILE 74 -15.707 0.957 -9.708 551 HD13 ILE 74 HD13 ILE 74 -17.354 0.386 -9.969 552 H ASN 75 H ASN 75 -18.408 3.827 -6.049 553 HA ASN 75 HA ASN 75 -20.739 5.552 -5.538 554 HB2 ASN 75 HB2 ASN 75 -21.158 4.183 -3.697 555 HB3 ASN 75 HB3 ASN 75 -20.418 3.043 -4.807 556 HD21 ASN 75 HD21 ASN 75 -17.634 4.122 -4.347 557 HD22 ASN 75 HD22 ASN 75 -17.220 3.322 -2.910 558 H ALA 76 H ALA 76 -17.566 5.916 -5.671 559 HA ALA 76 HA ALA 76 -17.423 8.015 -3.725 560 HB1 ALA 76 HB1 ALA 76 -15.683 7.095 -2.341 561 HB2 ALA 76 HB2 ALA 76 -15.442 5.732 -3.420 562 HB3 ALA 76 HB3 ALA 76 -16.902 5.835 -2.429 563 H ARG 77 H ARG 77 -15.573 9.341 -4.074 564 HA ARG 77 HA ARG 77 -14.139 8.683 -6.566 565 HB2 ARG 77 HB2 ARG 77 -16.000 10.365 -6.842 566 HB3 ARG 77 HB3 ARG 77 -15.068 11.462 -5.821 567 HG2 ARG 77 HG2 ARG 77 -13.177 11.310 -7.400 568 HG3 ARG 77 HG3 ARG 77 -14.095 10.180 -8.392 569 HD2 ARG 77 HD2 ARG 77 -15.023 13.003 -7.750 570 HD3 ARG 77 HD3 ARG 77 -14.173 12.563 -9.230 571 HE ARG 77 HE ARG 77 -16.405 10.860 -8.872 572 HH11 ARG 77 HH11 ARG 77 -15.568 14.125 -9.662 573 HH12 ARG 77 HH12 ARG 77 -16.981 14.397 -10.627 574 HH21 ARG 77 HH21 ARG 77 -18.358 11.294 -9.953 575 HH22 ARG 77 HH22 ARG 77 -18.589 12.832 -10.716 576 H VAL 78 H VAL 78 -12.055 9.215 -6.754 577 HA VAL 78 HA VAL 78 -10.759 10.400 -4.383 578 HB VAL 78 HB VAL 78 -10.483 7.875 -4.575 579 HG11 VAL 78 HG11 VAL 78 -9.077 6.974 -6.240 580 HG12 VAL 78 HG12 VAL 78 -8.500 8.563 -6.747 581 HG13 VAL 78 HG13 VAL 78 -10.144 8.056 -7.127 582 HG21 VAL 78 HG21 VAL 78 -7.727 8.808 -4.738 583 HG22 VAL 78 HG22 VAL 78 -8.608 8.190 -3.345 584 HG23 VAL 78 HG23 VAL 78 -8.717 9.898 -3.769 585 H ARG 79 H ARG 79 -9.477 12.025 -4.841 586 HA ARG 79 HA ARG 79 -8.578 12.439 -7.634 587 HB2 ARG 79 HB2 ARG 79 -8.717 14.347 -5.275 588 HB3 ARG 79 HB3 ARG 79 -7.954 14.736 -6.813 589 HG2 ARG 79 HG2 ARG 79 -10.073 14.354 -7.979 590 HG3 ARG 79 HG3 ARG 79 -10.851 13.904 -6.461 591 HD2 ARG 79 HD2 ARG 79 -10.367 16.160 -5.562 592 HD3 ARG 79 HD3 ARG 79 -9.617 16.607 -7.093 593 HE ARG 79 HE ARG 79 -12.262 15.630 -7.505 594 HH11 ARG 79 HH11 ARG 79 -10.434 18.387 -6.442 595 HH12 ARG 79 HH12 ARG 79 -11.412 19.500 -7.340 596 HH21 ARG 79 HH21 ARG 79 -13.865 17.188 -8.056 597 HH22 ARG 79 HH22 ARG 79 -13.650 18.806 -7.476 598 H LEU 80 H LEU 80 -6.419 12.234 -8.049 599 HA LEU 80 HA LEU 80 -4.668 11.646 -5.738 600 HB2 LEU 80 HB2 LEU 80 -4.291 11.009 -8.681 601 HB3 LEU 80 HB3 LEU 80 -3.217 10.516 -7.368 602 HG LEU 80 HG LEU 80 -5.409 9.476 -6.353 603 HD11 LEU 80 HD11 LEU 80 -7.162 10.057 -7.743 604 HD12 LEU 80 HD12 LEU 80 -6.682 8.545 -8.515 605 HD13 LEU 80 HD13 LEU 80 -6.147 10.078 -9.187 606 HD21 LEU 80 HD21 LEU 80 -4.907 7.593 -8.368 607 HD22 LEU 80 HD22 LEU 80 -4.101 7.695 -6.808 608 HD23 LEU 80 HD23 LEU 80 -3.396 8.489 -8.215 609 H ARG 81 H ARG 81 -3.395 13.261 -5.153 610 HA ARG 81 HA ARG 81 -2.846 15.438 -7.056 611 HB2 ARG 81 HB2 ARG 81 -2.904 15.375 -4.026 612 HB3 ARG 81 HB3 ARG 81 -2.337 16.757 -4.957 613 HG2 ARG 81 HG2 ARG 81 -4.503 16.951 -6.056 614 HG3 ARG 81 HG3 ARG 81 -5.095 15.531 -5.198 615 HD2 ARG 81 HD2 ARG 81 -4.739 16.720 -3.032 616 HD3 ARG 81 HD3 ARG 81 -4.154 18.122 -3.925 617 HE ARG 81 HE ARG 81 -6.610 17.695 -4.995 618 HH11 ARG 81 HH11 ARG 81 -5.349 18.215 -1.802 619 HH12 ARG 81 HH12 ARG 81 -6.602 19.321 -1.354 620 HH21 ARG 81 HH21 ARG 81 -8.562 18.518 -4.094 621 HH22 ARG 81 HH22 ARG 81 -8.506 19.269 -2.533 622 H GLN 82 H GLN 82 -0.808 16.013 -7.578 623 HA GLN 82 HA GLN 82 1.330 14.355 -6.417 624 HB2 GLN 82 HB2 GLN 82 1.023 15.585 -9.160 625 HB3 GLN 82 HB3 GLN 82 2.519 14.833 -8.596 626 HG2 GLN 82 HG2 GLN 82 1.328 12.734 -8.174 627 HG3 GLN 82 HG3 GLN 82 -0.192 13.476 -8.651 628 HE21 GLN 82 HE21 GLN 82 2.037 11.393 -9.837 629 HE22 GLN 82 HE22 GLN 82 2.056 11.824 -11.479 630 H LYS 83 H LYS 83 2.050 15.429 -4.851 631 HA LYS 83 HA LYS 83 3.665 17.859 -5.338 632 HB2 LYS 83 HB2 LYS 83 2.046 17.070 -2.879 633 HB3 LYS 83 HB3 LYS 83 3.202 18.395 -2.912 634 HG2 LYS 83 HG2 LYS 83 1.889 19.557 -4.620 635 HG3 LYS 83 HG3 LYS 83 0.762 18.209 -4.716 636 HD2 LYS 83 HD2 LYS 83 -0.312 19.786 -3.340 637 HD3 LYS 83 HD3 LYS 83 0.330 18.600 -2.211 638 HE2 LYS 83 HE2 LYS 83 2.240 20.056 -1.717 639 HE3 LYS 83 HE3 LYS 83 1.695 21.218 -2.933 640 HZ1 LYS 83 HZ1 LYS 83 0.556 22.164 -1.310 641 HZ2 LYS 83 HZ2 LYS 83 0.805 20.854 -0.249 642 HZ3 LYS 83 HZ3 LYS 83 -0.482 20.824 -1.359 643 H ARG 84 H ARG 84 5.575 17.641 -3.402 644 HA ARG 84 HA ARG 84 6.345 14.762 -3.539 645 HB2 ARG 84 HB2 ARG 84 8.053 16.564 -4.053 646 HB3 ARG 84 HB3 ARG 84 7.807 17.193 -2.428 647 HG2 ARG 84 HG2 ARG 84 8.602 15.016 -1.502 648 HG3 ARG 84 HG3 ARG 84 8.885 14.462 -3.149 649 HD2 ARG 84 HD2 ARG 84 10.398 16.450 -3.482 650 HD3 ARG 84 HD3 ARG 84 10.213 16.814 -1.770 651 HE ARG 84 HE ARG 84 11.102 14.116 -2.337 652 HH11 ARG 84 HH11 ARG 84 12.030 17.406 -1.698 653 HH12 ARG 84 HH12 ARG 84 13.571 16.971 -1.034 654 HH21 ARG 84 HH21 ARG 84 13.195 13.595 -1.658 655 HH22 ARG 84 HH22 ARG 84 14.134 14.825 -0.870 656 H MET 85 H MET 85 4.009 15.493 -2.294 657 HA MET 85 HA MET 85 4.671 13.570 -0.213 658 HB2 MET 85 HB2 MET 85 3.144 16.099 0.137 659 HB3 MET 85 HB3 MET 85 2.333 14.664 0.743 660 HG2 MET 85 HG2 MET 85 3.533 15.294 2.619 661 HG3 MET 85 HG3 MET 85 4.718 14.230 1.852 662 HE1 MET 85 HE1 MET 85 7.341 16.586 2.918 663 HE2 MET 85 HE2 MET 85 6.564 15.006 2.984 664 HE3 MET 85 HE3 MET 85 5.923 16.342 3.936 665 HA PRO 86 HA PRO 86 1.512 12.011 -3.185 666 HB2 PRO 86 HB2 PRO 86 1.503 9.554 -1.511 667 HB3 PRO 86 HB3 PRO 86 1.678 9.724 -3.262 668 HG2 PRO 86 HG2 PRO 86 3.720 9.124 -1.606 669 HG3 PRO 86 HG3 PRO 86 3.915 9.970 -3.146 670 HD2 PRO 86 HD2 PRO 86 4.130 11.033 -0.383 671 HD3 PRO 86 HD3 PRO 86 4.849 11.653 -1.886 672 H HIS 87 H HIS 87 -0.693 12.288 -2.975 673 HA HIS 87 HA HIS 87 -1.993 11.804 -0.390 674 HB2 HIS 87 HB2 HIS 87 -1.088 14.176 -0.486 675 HB3 HIS 87 HB3 HIS 87 -2.218 14.475 -1.804 676 HD1 HIS 87 HD1 HIS 87 -2.193 13.344 1.849 677 HD2 HIS 87 HD2 HIS 87 -4.864 14.990 -0.916 678 HE1 HIS 87 HE1 HIS 87 -4.507 13.408 2.935 679 HE2 HIS 87 HE2 HIS 87 -6.105 13.538 0.919 680 H ILE 88 H ILE 88 -4.058 11.120 -0.604 681 HA ILE 88 HA ILE 88 -5.466 11.762 -3.103 682 HB ILE 88 HB ILE 88 -6.593 9.608 -3.101 683 HG12 ILE 88 HG12 ILE 88 -4.685 8.801 -0.887 684 HG13 ILE 88 HG13 ILE 88 -6.381 9.205 -0.613 685 HG21 ILE 88 HG21 ILE 88 -3.599 9.179 -2.925 686 HG22 ILE 88 HG22 ILE 88 -4.373 10.000 -4.276 687 HG23 ILE 88 HG23 ILE 88 -4.753 8.311 -3.936 688 HD11 ILE 88 HD11 ILE 88 -5.950 7.244 -2.773 689 HD12 ILE 88 HD12 ILE 88 -7.100 7.208 -1.436 690 HD13 ILE 88 HD13 ILE 88 -5.436 6.681 -1.186 691 H VAL 89 H VAL 89 -7.637 12.273 -2.895 692 HA VAL 89 HA VAL 89 -8.683 12.360 -0.134 693 HB VAL 89 HB VAL 89 -10.098 14.305 -0.967 694 HG11 VAL 89 HG11 VAL 89 -7.806 14.303 0.360 695 HG12 VAL 89 HG12 VAL 89 -8.495 15.818 -0.225 696 HG13 VAL 89 HG13 VAL 89 -7.191 15.031 -1.114 697 HG21 VAL 89 HG21 VAL 89 -9.659 15.357 -2.967 698 HG22 VAL 89 HG22 VAL 89 -9.318 13.697 -3.441 699 HG23 VAL 89 HG23 VAL 89 -7.990 14.783 -3.033 700 H VAL 90 H VAL 90 -10.638 11.511 0.234 701 HA VAL 90 HA VAL 90 -11.888 10.101 -2.046 702 HB VAL 90 HB VAL 90 -11.265 9.104 0.744 703 HG11 VAL 90 HG11 VAL 90 -13.506 8.360 0.345 704 HG12 VAL 90 HG12 VAL 90 -12.467 6.996 -0.041 705 HG13 VAL 90 HG13 VAL 90 -13.155 7.975 -1.334 706 HG21 VAL 90 HG21 VAL 90 -10.497 7.155 -0.988 707 HG22 VAL 90 HG22 VAL 90 -9.424 8.449 -0.464 708 HG23 VAL 90 HG23 VAL 90 -10.275 8.577 -2.005 709 H LYS 91 H LYS 91 -13.995 10.457 -2.233 710 HA LYS 91 HA LYS 91 -15.561 11.103 0.168 711 HB2 LYS 91 HB2 LYS 91 -17.124 12.245 -1.684 712 HB3 LYS 91 HB3 LYS 91 -15.909 13.146 -0.796 713 HG2 LYS 91 HG2 LYS 91 -15.470 11.944 -3.539 714 HG3 LYS 91 HG3 LYS 91 -15.948 13.603 -3.257 715 HD2 LYS 91 HD2 LYS 91 -13.837 13.981 -1.984 716 HD3 LYS 91 HD3 LYS 91 -13.341 12.335 -2.338 717 HE2 LYS 91 HE2 LYS 91 -13.431 12.794 -4.751 718 HE3 LYS 91 HE3 LYS 91 -13.903 14.455 -4.408 719 HZ1 LYS 91 HZ1 LYS 91 -11.848 14.763 -3.186 720 HZ2 LYS 91 HZ2 LYS 91 -11.532 14.285 -4.779 721 HZ3 LYS 91 HZ3 LYS 91 -11.385 13.164 -3.512 722 H CYS 92 H CYS 92 -17.190 9.683 0.475 723 HA CYS 92 HA CYS 92 -17.871 7.944 -1.812 724 HB2 CYS 92 HB2 CYS 92 -17.095 6.349 -0.375 725 HB3 CYS 92 HB3 CYS 92 -17.472 7.297 1.061 726 H LEU 93 H LEU 93 -19.928 7.864 -2.414 727 HA LEU 93 HA LEU 93 -21.338 10.259 -1.898 728 HB2 LEU 93 HB2 LEU 93 -22.003 7.825 -3.562 729 HB3 LEU 93 HB3 LEU 93 -23.038 9.249 -3.480 730 HG LEU 93 HG LEU 93 -20.093 9.408 -4.155 731 HD11 LEU 93 HD11 LEU 93 -20.820 8.190 -6.004 732 HD12 LEU 93 HD12 LEU 93 -21.180 9.830 -6.542 733 HD13 LEU 93 HD13 LEU 93 -22.462 8.808 -5.893 734 HD21 LEU 93 HD21 LEU 93 -21.340 11.506 -5.374 735 HD22 LEU 93 HD22 LEU 93 -20.649 11.594 -3.756 736 HD23 LEU 93 HD23 LEU 93 -22.375 11.296 -3.965 737 H GLU 94 H GLU 94 -21.875 6.904 -0.898 738 HA GLU 94 HA GLU 94 -24.513 7.279 -0.087 739 HB2 GLU 94 HB2 GLU 94 -23.043 5.321 1.559 740 HB3 GLU 94 HB3 GLU 94 -24.507 5.120 0.614 741 HG2 GLU 94 HG2 GLU 94 -21.657 5.058 -0.381 742 HG3 GLU 94 HG3 GLU 94 -22.805 3.731 -0.342 743 H CYS 95 H CYS 95 -21.475 7.800 1.693 744 HA CYS 95 HA CYS 95 -22.913 8.478 4.142 745 HB2 CYS 95 HB2 CYS 95 -20.609 9.493 4.768 746 HB3 CYS 95 HB3 CYS 95 -20.817 7.755 4.790 747 H GLY 96 H GLY 96 -21.658 9.947 1.225 748 HA2 GLY 96 HA2 GLY 96 -21.827 12.097 0.411 749 HA3 GLY 96 HA3 GLY 96 -22.740 12.532 1.851 750 H HIS 97 H HIS 97 -19.647 11.029 2.286 751 HA HIS 97 HA HIS 97 -18.696 13.595 3.397 752 HB2 HIS 97 HB2 HIS 97 -18.550 10.870 4.679 753 HB3 HIS 97 HB3 HIS 97 -17.697 12.300 5.264 754 HD1 HIS 97 HD1 HIS 97 -19.379 14.502 5.521 755 HD2 HIS 97 HD2 HIS 97 -20.628 10.733 6.578 756 HE1 HIS 97 HE1 HIS 97 -21.634 14.778 6.695 757 HE2 HIS 97 HE2 HIS 97 -22.669 12.451 6.793 758 H ILE 98 H ILE 98 -16.533 13.957 3.550 759 HA ILE 98 HA ILE 98 -14.895 12.442 1.619 760 HB ILE 98 HB ILE 98 -15.341 14.752 0.894 761 HG12 ILE 98 HG12 ILE 98 -12.482 14.447 1.852 762 HG13 ILE 98 HG13 ILE 98 -13.142 13.569 0.477 763 HG21 ILE 98 HG21 ILE 98 -13.676 15.935 3.033 764 HG22 ILE 98 HG22 ILE 98 -15.277 15.420 3.538 765 HG23 ILE 98 HG23 ILE 98 -15.105 16.580 2.224 766 HD11 ILE 98 HD11 ILE 98 -13.540 15.603 -0.742 767 HD12 ILE 98 HD12 ILE 98 -11.899 15.687 -0.113 768 HD13 ILE 98 HD13 ILE 98 -13.179 16.599 0.674 769 H MET 99 H MET 99 -13.117 11.539 2.287 770 HA MET 99 HA MET 99 -11.840 12.498 4.782 771 HB2 MET 99 HB2 MET 99 -12.079 9.667 3.749 772 HB3 MET 99 HB3 MET 99 -11.012 10.148 5.069 773 HG2 MET 99 HG2 MET 99 -12.960 11.028 6.310 774 HG3 MET 99 HG3 MET 99 -14.026 10.523 5.000 775 HE1 MET 99 HE1 MET 99 -14.266 8.519 4.099 776 HE2 MET 99 HE2 MET 99 -14.630 7.105 5.090 777 HE3 MET 99 HE3 MET 99 -13.061 7.249 4.305 778 H ARG 100 H ARG 100 -9.649 12.669 4.780 779 HA ARG 100 HA ARG 100 -8.295 12.593 2.157 780 HB2 ARG 100 HB2 ARG 100 -7.588 13.927 4.794 781 HB3 ARG 100 HB3 ARG 100 -6.599 14.006 3.340 782 HG2 ARG 100 HG2 ARG 100 -8.393 15.112 2.129 783 HG3 ARG 100 HG3 ARG 100 -9.486 14.932 3.503 784 HD2 ARG 100 HD2 ARG 100 -8.584 17.200 3.479 785 HD3 ARG 100 HD3 ARG 100 -7.910 16.334 4.861 786 HE ARG 100 HE ARG 100 -6.170 16.035 2.657 787 HH11 ARG 100 HH11 ARG 100 -7.292 18.363 4.981 788 HH12 ARG 100 HH12 ARG 100 -5.782 19.215 5.029 789 HH21 ARG 100 HH21 ARG 100 -4.346 17.423 2.468 790 HH22 ARG 100 HH22 ARG 100 -4.047 18.527 3.768 791 H TYR 101 H TYR 101 -6.636 11.256 1.769 792 HA TYR 101 HA TYR 101 -5.556 9.643 3.991 793 HB2 TYR 101 HB2 TYR 101 -7.138 8.667 1.914 794 HB3 TYR 101 HB3 TYR 101 -5.494 8.292 1.405 795 HD1 TYR 101 HD1 TYR 101 -3.954 7.464 3.519 796 HD2 TYR 101 HD2 TYR 101 -7.961 6.558 2.539 797 HE1 TYR 101 HE1 TYR 101 -3.983 5.750 5.337 798 HE2 TYR 101 HE2 TYR 101 -8.043 4.812 4.332 799 HH TYR 101 HH TYR 101 -5.113 3.395 5.245 800 HA PRO 102 HA PRO 102 -1.844 11.472 1.985 801 HB2 PRO 102 HB2 PRO 102 -0.309 11.433 4.213 802 HB3 PRO 102 HB3 PRO 102 -1.488 12.721 3.901 803 HG2 PRO 102 HG2 PRO 102 -1.713 10.328 5.673 804 HG3 PRO 102 HG3 PRO 102 -2.210 12.002 5.969 805 HD2 PRO 102 HD2 PRO 102 -3.937 9.995 5.161 806 HD3 PRO 102 HD3 PRO 102 -4.226 11.724 4.869 807 H TYR 103 H TYR 103 -0.060 10.370 1.234 808 HA TYR 103 HA TYR 103 0.621 7.765 2.443 809 HB2 TYR 103 HB2 TYR 103 -0.781 7.294 0.484 810 HB3 TYR 103 HB3 TYR 103 0.300 8.243 -0.529 811 HD1 TYR 103 HD1 TYR 103 0.155 5.267 1.702 812 HD2 TYR 103 HD2 TYR 103 2.197 7.230 -1.521 813 HE1 TYR 103 HE1 TYR 103 1.630 3.292 1.429 814 HE2 TYR 103 HE2 TYR 103 3.691 5.279 -1.765 815 HH TYR 103 HH TYR 103 3.808 2.741 0.440 816 H ILE 104 H ILE 104 2.804 7.198 2.294 817 HA ILE 104 HA ILE 104 4.606 9.197 1.118 818 HB ILE 104 HB ILE 104 4.483 9.586 3.571 819 HG12 ILE 104 HG12 ILE 104 6.964 9.428 3.966 820 HG13 ILE 104 HG13 ILE 104 7.095 8.498 2.478 821 HG21 ILE 104 HG21 ILE 104 5.303 7.947 5.125 822 HG22 ILE 104 HG22 ILE 104 5.761 6.861 3.816 823 HG23 ILE 104 HG23 ILE 104 4.053 7.171 4.148 824 HD11 ILE 104 HD11 ILE 104 7.459 11.120 2.448 825 HD12 ILE 104 HD12 ILE 104 5.701 11.160 2.419 826 HD13 ILE 104 HD13 ILE 104 6.581 10.325 1.139 827 H LYS 105 H LYS 105 6.312 8.340 0.049 828 HA LYS 105 HA LYS 105 6.513 5.394 -0.041 829 HB2 LYS 105 HB2 LYS 105 6.002 6.523 -2.193 830 HB3 LYS 105 HB3 LYS 105 7.497 7.440 -2.045 831 HG2 LYS 105 HG2 LYS 105 8.806 5.366 -2.087 832 HG3 LYS 105 HG3 LYS 105 7.323 4.413 -2.155 833 HD2 LYS 105 HD2 LYS 105 6.740 5.511 -4.306 834 HD3 LYS 105 HD3 LYS 105 8.237 6.435 -4.227 835 HE2 LYS 105 HE2 LYS 105 9.546 4.345 -4.294 836 HE3 LYS 105 HE3 LYS 105 8.054 3.405 -4.347 837 HZ1 LYS 105 HZ1 LYS 105 9.147 5.230 -6.392 838 HZ2 LYS 105 HZ2 LYS 105 7.507 4.800 -6.383 839 HZ3 LYS 105 HZ3 LYS 105 8.693 3.596 -6.547 Start of MODEL 12 1 H LYS 15 H LYS 15 -19.625 -18.267 5.302 2 HA LYS 15 HA LYS 15 -17.666 -19.002 3.674 3 HB2 LYS 15 HB2 LYS 15 -20.426 -20.226 3.954 4 HB3 LYS 15 HB3 LYS 15 -19.032 -21.087 3.285 5 HG2 LYS 15 HG2 LYS 15 -17.810 -20.779 5.401 6 HG3 LYS 15 HG3 LYS 15 -19.195 -19.910 6.078 7 HD2 LYS 15 HD2 LYS 15 -20.605 -21.920 5.748 8 HD3 LYS 15 HD3 LYS 15 -19.214 -22.775 5.077 9 HE2 LYS 15 HE2 LYS 15 -18.015 -22.506 7.232 10 HE3 LYS 15 HE3 LYS 15 -19.404 -21.639 7.884 11 HZ1 LYS 15 HZ1 LYS 15 -19.008 -24.459 7.611 12 HZ2 LYS 15 HZ2 LYS 15 -20.447 -23.954 6.847 13 HZ3 LYS 15 HZ3 LYS 15 -20.186 -23.621 8.497 14 H GLU 16 H GLU 16 -19.792 -20.494 1.788 15 HA GLU 16 HA GLU 16 -19.131 -19.163 -0.553 16 HB2 GLU 16 HB2 GLU 16 -19.812 -21.507 -0.474 17 HB3 GLU 16 HB3 GLU 16 -21.462 -21.033 -0.068 18 HG2 GLU 16 HG2 GLU 16 -21.638 -19.839 -2.225 19 HG3 GLU 16 HG3 GLU 16 -19.968 -20.249 -2.599 20 H ARG 17 H ARG 17 -21.990 -18.751 1.477 21 HA ARG 17 HA ARG 17 -23.674 -17.425 -0.302 22 HB2 ARG 17 HB2 ARG 17 -24.297 -18.308 1.926 23 HB3 ARG 17 HB3 ARG 17 -23.363 -17.023 2.685 24 HG2 ARG 17 HG2 ARG 17 -24.830 -15.338 1.585 25 HG3 ARG 17 HG3 ARG 17 -25.760 -16.647 0.852 26 HD2 ARG 17 HD2 ARG 17 -26.272 -17.493 3.155 27 HD3 ARG 17 HD3 ARG 17 -25.465 -16.074 3.817 28 HE ARG 17 HE ARG 17 -27.195 -14.684 2.986 29 HH11 ARG 17 HH11 ARG 17 -27.741 -18.037 2.289 30 HH12 ARG 17 HH12 ARG 17 -29.462 -17.846 2.249 31 HH21 ARG 17 HH21 ARG 17 -29.366 -14.453 2.808 32 HH22 ARG 17 HH22 ARG 17 -30.382 -15.850 2.598 33 H ILE 18 H ILE 18 -21.388 -15.941 2.033 34 HA ILE 18 HA ILE 18 -22.005 -13.309 1.384 35 HB ILE 18 HB ILE 18 -20.734 -14.048 3.398 36 HG12 ILE 18 HG12 ILE 18 -19.318 -11.866 1.849 37 HG13 ILE 18 HG13 ILE 18 -20.926 -11.660 2.568 38 HG21 ILE 18 HG21 ILE 18 -19.055 -15.392 1.891 39 HG22 ILE 18 HG22 ILE 18 -18.475 -14.606 3.360 40 HG23 ILE 18 HG23 ILE 18 -18.211 -13.840 1.794 41 HD11 ILE 18 HD11 ILE 18 -18.316 -12.216 4.007 42 HD12 ILE 18 HD12 ILE 18 -19.912 -12.389 4.769 43 HD13 ILE 18 HD13 ILE 18 -19.387 -10.817 4.170 44 H ASP 19 H ASP 19 -19.644 -15.471 -0.027 45 HA ASP 19 HA ASP 19 -18.320 -13.618 -1.664 46 HB2 ASP 19 HB2 ASP 19 -18.614 -16.585 -1.744 47 HB3 ASP 19 HB3 ASP 19 -17.884 -15.748 -3.102 48 H ILE 20 H ILE 20 -21.128 -15.707 -2.340 49 HA ILE 20 HA ILE 20 -21.725 -14.719 -4.848 50 HB ILE 20 HB ILE 20 -23.750 -15.438 -2.742 51 HG12 ILE 20 HG12 ILE 20 -22.122 -17.253 -3.003 52 HG13 ILE 20 HG13 ILE 20 -23.695 -17.706 -3.641 53 HG21 ILE 20 HG21 ILE 20 -23.980 -15.587 -5.749 54 HG22 ILE 20 HG22 ILE 20 -24.649 -14.294 -4.761 55 HG23 ILE 20 HG23 ILE 20 -25.243 -15.948 -4.565 56 HD11 ILE 20 HD11 ILE 20 -22.723 -16.857 -5.926 57 HD12 ILE 20 HD12 ILE 20 -22.245 -18.429 -5.307 58 HD13 ILE 20 HD13 ILE 20 -21.157 -17.056 -5.109 59 H LEU 21 H LEU 21 -22.796 -13.441 -1.711 60 HA LEU 21 HA LEU 21 -24.269 -11.279 -2.711 61 HB2 LEU 21 HB2 LEU 21 -22.912 -11.780 -0.068 62 HB3 LEU 21 HB3 LEU 21 -23.690 -10.232 -0.407 63 HG LEU 21 HG LEU 21 -25.064 -12.908 -0.747 64 HD11 LEU 21 HD11 LEU 21 -26.191 -12.477 1.369 65 HD12 LEU 21 HD12 LEU 21 -25.259 -10.989 1.593 66 HD13 LEU 21 HD13 LEU 21 -24.442 -12.552 1.614 67 HD21 LEU 21 HD21 LEU 21 -25.778 -10.100 -1.247 68 HD22 LEU 21 HD22 LEU 21 -26.979 -10.983 -0.300 69 HD23 LEU 21 HD23 LEU 21 -26.485 -11.570 -1.893 70 H PHE 22 H PHE 22 -20.844 -11.502 -1.838 71 HA PHE 22 HA PHE 22 -20.085 -8.881 -2.252 72 HB2 PHE 22 HB2 PHE 22 -18.574 -10.598 -1.353 73 HB3 PHE 22 HB3 PHE 22 -18.576 -11.430 -2.903 74 HD1 PHE 22 HD1 PHE 22 -17.231 -8.662 -0.954 75 HD2 PHE 22 HD2 PHE 22 -17.221 -10.673 -4.728 76 HE1 PHE 22 HE1 PHE 22 -15.272 -7.305 -1.657 77 HE2 PHE 22 HE2 PHE 22 -15.226 -9.378 -5.411 78 HZ PHE 22 HZ PHE 22 -14.568 -7.407 -4.043 79 H SER 23 H SER 23 -20.368 -11.484 -4.663 80 HA SER 23 HA SER 23 -19.385 -10.028 -6.905 81 HB2 SER 23 HB2 SER 23 -19.462 -12.378 -7.131 82 HB3 SER 23 HB3 SER 23 -21.141 -12.457 -6.607 83 HG SER 23 HG SER 23 -21.042 -10.862 -8.706 84 H LEU 24 H LEU 24 -22.636 -10.643 -5.657 85 HA LEU 24 HA LEU 24 -24.080 -9.195 -7.563 86 HB2 LEU 24 HB2 LEU 24 -24.675 -9.764 -4.657 87 HB3 LEU 24 HB3 LEU 24 -25.832 -9.006 -5.750 88 HG LEU 24 HG LEU 24 -24.481 -11.675 -6.287 89 HD11 LEU 24 HD11 LEU 24 -26.264 -12.802 -5.314 90 HD12 LEU 24 HD12 LEU 24 -27.351 -11.406 -5.419 91 HD13 LEU 24 HD13 LEU 24 -26.084 -11.421 -4.221 92 HD21 LEU 24 HD21 LEU 24 -25.254 -10.914 -8.346 93 HD22 LEU 24 HD22 LEU 24 -26.623 -10.055 -7.641 94 HD23 LEU 24 HD23 LEU 24 -26.659 -11.808 -7.758 95 H ALA 25 H ALA 25 -22.756 -8.161 -4.448 96 HA ALA 25 HA ALA 25 -23.605 -5.508 -4.496 97 HB1 ALA 25 HB1 ALA 25 -22.206 -5.159 -2.703 98 HB2 ALA 25 HB2 ALA 25 -20.914 -6.183 -3.356 99 HB3 ALA 25 HB3 ALA 25 -22.352 -6.908 -2.652 100 H GLU 26 H GLU 26 -20.673 -6.981 -5.824 101 HA GLU 26 HA GLU 26 -19.449 -4.681 -6.724 102 HB2 GLU 26 HB2 GLU 26 -18.368 -6.886 -6.626 103 HB3 GLU 26 HB3 GLU 26 -19.356 -7.431 -7.982 104 HG2 GLU 26 HG2 GLU 26 -18.348 -5.736 -9.446 105 HG3 GLU 26 HG3 GLU 26 -17.379 -5.137 -8.096 106 H ARG 27 H ARG 27 -21.810 -6.700 -8.494 107 HA ARG 27 HA ARG 27 -21.666 -5.246 -10.928 108 HB2 ARG 27 HB2 ARG 27 -22.683 -7.481 -10.789 109 HB3 ARG 27 HB3 ARG 27 -24.002 -6.816 -9.829 110 HG2 ARG 27 HG2 ARG 27 -24.571 -5.291 -11.726 111 HG3 ARG 27 HG3 ARG 27 -23.292 -6.023 -12.671 112 HD2 ARG 27 HD2 ARG 27 -25.653 -7.531 -11.493 113 HD3 ARG 27 HD3 ARG 27 -25.538 -6.982 -13.166 114 HE ARG 27 HE ARG 27 -24.055 -9.179 -11.967 115 HH11 ARG 27 HH11 ARG 27 -23.736 -6.718 -14.336 116 HH12 ARG 27 HH12 ARG 27 -23.331 -7.804 -15.621 117 HH21 ARG 27 HH21 ARG 27 -22.928 -10.436 -13.375 118 HH22 ARG 27 HH22 ARG 27 -22.634 -9.910 -14.997 119 H VAL 28 H VAL 28 -23.956 -4.992 -8.224 120 HA VAL 28 HA VAL 28 -25.419 -2.827 -9.249 121 HB VAL 28 HB VAL 28 -26.226 -4.275 -7.485 122 HG11 VAL 28 HG11 VAL 28 -24.254 -2.890 -5.644 123 HG12 VAL 28 HG12 VAL 28 -24.067 -4.522 -6.285 124 HG13 VAL 28 HG13 VAL 28 -25.420 -4.165 -5.228 125 HG21 VAL 28 HG21 VAL 28 -26.270 -1.351 -7.300 126 HG22 VAL 28 HG22 VAL 28 -26.634 -2.165 -5.783 127 HG23 VAL 28 HG23 VAL 28 -27.585 -2.501 -7.227 128 H PHE 29 H PHE 29 -22.534 -2.999 -7.324 129 HA PHE 29 HA PHE 29 -22.282 -0.575 -6.187 130 HB2 PHE 29 HB2 PHE 29 -20.713 -2.154 -5.641 131 HB3 PHE 29 HB3 PHE 29 -20.361 -2.553 -7.316 132 HD1 PHE 29 HD1 PHE 29 -20.373 0.798 -5.672 133 HD2 PHE 29 HD2 PHE 29 -18.031 -2.475 -7.105 134 HE1 PHE 29 HE1 PHE 29 -18.285 2.127 -5.699 135 HE2 PHE 29 HE2 PHE 29 -15.957 -1.151 -6.718 136 HZ PHE 29 HZ PHE 29 -16.130 0.895 -5.348 137 HA PRO 30 HA PRO 30 -20.448 1.674 -10.080 138 HB2 PRO 30 HB2 PRO 30 -20.664 0.373 -12.480 139 HB3 PRO 30 HB3 PRO 30 -19.211 0.314 -11.473 140 HG2 PRO 30 HG2 PRO 30 -21.390 -1.696 -11.780 141 HG3 PRO 30 HG3 PRO 30 -19.646 -1.938 -11.616 142 HD2 PRO 30 HD2 PRO 30 -21.429 -2.255 -9.549 143 HD3 PRO 30 HD3 PRO 30 -19.723 -1.821 -9.303 144 H TYR 31 H TYR 31 -23.230 -0.461 -10.365 145 HA TYR 31 HA TYR 31 -24.538 0.918 -12.468 146 HB2 TYR 31 HB2 TYR 31 -25.124 -1.372 -11.972 147 HB3 TYR 31 HB3 TYR 31 -25.623 -0.935 -10.338 148 HD1 TYR 31 HD1 TYR 31 -26.308 0.098 -13.891 149 HD2 TYR 31 HD2 TYR 31 -27.830 -0.329 -9.902 150 HE1 TYR 31 HE1 TYR 31 -28.623 0.398 -14.732 151 HE2 TYR 31 HE2 TYR 31 -30.122 0.070 -10.728 152 HH TYR 31 HH TYR 31 -30.836 1.663 -13.178 153 H SER 32 H SER 32 -24.858 1.026 -8.966 154 HA SER 32 HA SER 32 -25.752 3.762 -8.932 155 HB2 SER 32 HB2 SER 32 -27.791 2.020 -9.409 156 HB3 SER 32 HB3 SER 32 -27.767 2.025 -7.647 157 HG SER 32 HG SER 32 -27.882 4.293 -7.722 158 HA PRO 33 HA PRO 33 -23.218 2.791 -5.346 159 HB2 PRO 33 HB2 PRO 33 -24.007 5.623 -4.643 160 HB3 PRO 33 HB3 PRO 33 -22.410 4.872 -4.716 161 HG2 PRO 33 HG2 PRO 33 -23.243 6.543 -6.608 162 HG3 PRO 33 HG3 PRO 33 -22.192 5.171 -6.966 163 HD2 PRO 33 HD2 PRO 33 -25.099 5.515 -7.551 164 HD3 PRO 33 HD3 PRO 33 -23.863 4.586 -8.421 165 H GLU 34 H GLU 34 -26.317 4.506 -5.176 166 HA GLU 34 HA GLU 34 -26.845 4.129 -2.447 167 HB2 GLU 34 HB2 GLU 34 -28.000 5.759 -3.885 168 HB3 GLU 34 HB3 GLU 34 -28.788 4.444 -4.757 169 HG2 GLU 34 HG2 GLU 34 -29.931 3.746 -2.687 170 HG3 GLU 34 HG3 GLU 34 -29.106 5.020 -1.797 171 H LEU 35 H LEU 35 -27.774 2.142 -5.273 172 HA LEU 35 HA LEU 35 -29.380 0.284 -3.815 173 HB2 LEU 35 HB2 LEU 35 -28.000 0.178 -6.486 174 HB3 LEU 35 HB3 LEU 35 -28.796 -1.245 -5.816 175 HG LEU 35 HG LEU 35 -30.173 1.441 -6.162 176 HD11 LEU 35 HD11 LEU 35 -30.025 -0.972 -7.998 177 HD12 LEU 35 HD12 LEU 35 -29.623 0.702 -8.377 178 HD13 LEU 35 HD13 LEU 35 -31.294 0.234 -8.117 179 HD21 LEU 35 HD21 LEU 35 -31.938 -0.771 -6.230 180 HD22 LEU 35 HD22 LEU 35 -31.800 0.473 -4.983 181 HD23 LEU 35 HD23 LEU 35 -30.876 -1.042 -4.869 182 H ALA 36 H ALA 36 -25.999 0.476 -4.666 183 HA ALA 36 HA ALA 36 -25.252 -2.170 -3.890 184 HB1 ALA 36 HB1 ALA 36 -23.284 0.069 -3.694 185 HB2 ALA 36 HB2 ALA 36 -23.995 -0.244 -5.280 186 HB3 ALA 36 HB3 ALA 36 -23.113 -1.524 -4.448 187 H LYS 37 H LYS 37 -25.453 0.924 -2.287 188 HA LYS 37 HA LYS 37 -24.063 0.333 0.074 189 HB2 LYS 37 HB2 LYS 37 -24.808 2.590 -0.695 190 HB3 LYS 37 HB3 LYS 37 -26.461 2.160 -0.299 191 HG2 LYS 37 HG2 LYS 37 -24.248 2.173 1.759 192 HG3 LYS 37 HG3 LYS 37 -25.255 3.566 1.398 193 HD2 LYS 37 HD2 LYS 37 -27.279 2.321 2.034 194 HD3 LYS 37 HD3 LYS 37 -26.292 0.904 2.410 195 HE2 LYS 37 HE2 LYS 37 -25.080 2.165 4.119 196 HE3 LYS 37 HE3 LYS 37 -26.003 3.619 3.733 197 HZ1 LYS 37 HZ1 LYS 37 -27.139 2.735 5.535 198 HZ2 LYS 37 HZ2 LYS 37 -26.925 1.124 5.033 199 HZ3 LYS 37 HZ3 LYS 37 -28.020 2.120 4.211 200 H ARG 38 H ARG 38 -27.428 -0.146 -0.878 201 HA ARG 38 HA ARG 38 -28.362 -1.097 1.650 202 HB2 ARG 38 HB2 ARG 38 -29.406 -1.446 -1.169 203 HB3 ARG 38 HB3 ARG 38 -30.258 -2.017 0.258 204 HG2 ARG 38 HG2 ARG 38 -29.427 0.872 -0.200 205 HG3 ARG 38 HG3 ARG 38 -31.025 0.232 -0.564 206 HD2 ARG 38 HD2 ARG 38 -29.805 0.099 2.192 207 HD3 ARG 38 HD3 ARG 38 -30.801 1.448 1.635 208 HE ARG 38 HE ARG 38 -32.193 -0.997 1.163 209 HH11 ARG 38 HH11 ARG 38 -31.161 1.106 3.687 210 HH12 ARG 38 HH12 ARG 38 -32.313 0.508 4.831 211 HH21 ARG 38 HH21 ARG 38 -33.821 -1.578 2.537 212 HH22 ARG 38 HH22 ARG 38 -34.105 -0.648 3.965 213 H TYR 39 H TYR 39 -27.143 -2.708 -1.283 214 HA TYR 39 HA TYR 39 -27.556 -5.352 -0.403 215 HB2 TYR 39 HB2 TYR 39 -25.716 -4.209 -2.484 216 HB3 TYR 39 HB3 TYR 39 -25.762 -5.933 -2.114 217 HD1 TYR 39 HD1 TYR 39 -28.023 -7.106 -2.159 218 HD2 TYR 39 HD2 TYR 39 -27.290 -3.346 -4.076 219 HE1 TYR 39 HE1 TYR 39 -30.199 -7.268 -3.328 220 HE2 TYR 39 HE2 TYR 39 -29.415 -3.575 -5.341 221 HH TYR 39 HH TYR 39 -31.309 -6.554 -5.215 222 H VAL 40 H VAL 40 -24.705 -3.256 -0.148 223 HA VAL 40 HA VAL 40 -23.035 -5.225 0.931 224 HB VAL 40 HB VAL 40 -22.896 -2.227 1.275 225 HG11 VAL 40 HG11 VAL 40 -21.345 -2.635 2.856 226 HG12 VAL 40 HG12 VAL 40 -20.354 -3.415 1.616 227 HG13 VAL 40 HG13 VAL 40 -21.455 -4.372 2.609 228 HG21 VAL 40 HG21 VAL 40 -21.933 -4.185 -0.755 229 HG22 VAL 40 HG22 VAL 40 -20.803 -2.907 -0.272 230 HG23 VAL 40 HG23 VAL 40 -22.381 -2.487 -0.935 231 H GLU 41 H GLU 41 -25.293 -3.074 2.584 232 HA GLU 41 HA GLU 41 -24.225 -3.436 5.227 233 HB2 GLU 41 HB2 GLU 41 -26.898 -2.458 4.226 234 HB3 GLU 41 HB3 GLU 41 -26.435 -2.461 5.925 235 HG2 GLU 41 HG2 GLU 41 -24.957 -1.011 3.707 236 HG3 GLU 41 HG3 GLU 41 -26.072 -0.251 4.824 237 H LEU 42 H LEU 42 -26.705 -4.781 3.249 238 HA LEU 42 HA LEU 42 -27.672 -6.857 4.834 239 HB2 LEU 42 HB2 LEU 42 -28.720 -6.335 2.761 240 HB3 LEU 42 HB3 LEU 42 -27.236 -6.558 1.855 241 HG LEU 42 HG LEU 42 -27.280 -8.967 2.339 242 HD11 LEU 42 HD11 LEU 42 -28.947 -8.446 4.424 243 HD12 LEU 42 HD12 LEU 42 -28.816 -10.024 3.660 244 HD13 LEU 42 HD13 LEU 42 -30.121 -8.923 3.219 245 HD21 LEU 42 HD21 LEU 42 -29.648 -9.231 1.061 246 HD22 LEU 42 HD22 LEU 42 -28.164 -8.658 0.301 247 HD23 LEU 42 HD23 LEU 42 -29.365 -7.490 0.853 248 H ALA 43 H ALA 43 -24.680 -6.762 2.873 249 HA ALA 43 HA ALA 43 -24.184 -9.581 3.157 250 HB1 ALA 43 HB1 ALA 43 -22.620 -9.159 1.613 251 HB2 ALA 43 HB2 ALA 43 -21.756 -8.127 2.737 252 HB3 ALA 43 HB3 ALA 43 -23.014 -7.439 1.708 253 H LEU 44 H LEU 44 -23.152 -6.659 4.862 254 HA LEU 44 HA LEU 44 -21.385 -7.901 6.651 255 HB2 LEU 44 HB2 LEU 44 -22.843 -5.289 6.682 256 HB3 LEU 44 HB3 LEU 44 -22.016 -5.828 8.138 257 HG LEU 44 HG LEU 44 -19.942 -6.143 6.800 258 HD11 LEU 44 HD11 LEU 44 -20.966 -6.462 4.593 259 HD12 LEU 44 HD12 LEU 44 -19.784 -5.155 4.564 260 HD13 LEU 44 HD13 LEU 44 -21.509 -4.779 4.609 261 HD21 LEU 44 HD21 LEU 44 -21.260 -3.498 7.183 262 HD22 LEU 44 HD22 LEU 44 -19.763 -3.552 6.224 263 HD23 LEU 44 HD23 LEU 44 -19.770 -4.143 7.876 264 H LEU 45 H LEU 45 -24.853 -7.165 7.071 265 HA LEU 45 HA LEU 45 -25.119 -8.360 9.591 266 HB2 LEU 45 HB2 LEU 45 -27.068 -7.838 7.383 267 HB3 LEU 45 HB3 LEU 45 -27.555 -8.833 8.754 268 HG LEU 45 HG LEU 45 -26.807 -6.993 10.279 269 HD11 LEU 45 HD11 LEU 45 -26.314 -4.828 9.477 270 HD12 LEU 45 HD12 LEU 45 -26.815 -5.219 7.839 271 HD13 LEU 45 HD13 LEU 45 -25.325 -5.904 8.494 272 HD21 LEU 45 HD21 LEU 45 -29.141 -7.263 9.803 273 HD22 LEU 45 HD22 LEU 45 -28.991 -6.410 8.268 274 HD23 LEU 45 HD23 LEU 45 -28.767 -5.529 9.789 275 H VAL 46 H VAL 46 -25.370 -9.805 6.374 276 HA VAL 46 HA VAL 46 -25.893 -12.446 7.198 277 HB VAL 46 HB VAL 46 -24.540 -11.324 4.743 278 HG11 VAL 46 HG11 VAL 46 -23.694 -13.456 4.565 279 HG12 VAL 46 HG12 VAL 46 -25.302 -13.753 3.911 280 HG13 VAL 46 HG13 VAL 46 -24.957 -14.162 5.589 281 HG21 VAL 46 HG21 VAL 46 -26.985 -10.879 5.205 282 HG22 VAL 46 HG22 VAL 46 -27.256 -12.618 5.077 283 HG23 VAL 46 HG23 VAL 46 -26.652 -11.706 3.686 284 H GLN 47 H GLN 47 -22.888 -10.659 6.801 285 HA GLN 47 HA GLN 47 -21.098 -12.838 6.814 286 HB2 GLN 47 HB2 GLN 47 -20.603 -10.544 6.018 287 HB3 GLN 47 HB3 GLN 47 -20.709 -9.956 7.669 288 HG2 GLN 47 HG2 GLN 47 -18.793 -11.460 8.283 289 HG3 GLN 47 HG3 GLN 47 -18.695 -11.950 6.585 290 HE21 GLN 47 HE21 GLN 47 -16.621 -10.999 6.205 291 HE22 GLN 47 HE22 GLN 47 -16.386 -9.312 6.207 292 H GLN 48 H GLN 48 -22.121 -10.658 9.454 293 HA GLN 48 HA GLN 48 -20.647 -11.900 11.501 294 HB2 GLN 48 HB2 GLN 48 -22.066 -10.697 13.048 295 HB3 GLN 48 HB3 GLN 48 -21.656 -9.655 11.690 296 HG2 GLN 48 HG2 GLN 48 -23.863 -10.192 10.641 297 HG3 GLN 48 HG3 GLN 48 -24.271 -11.137 12.071 298 HE21 GLN 48 HE21 GLN 48 -25.906 -9.778 13.033 299 HE22 GLN 48 HE22 GLN 48 -25.832 -8.103 12.964 300 H LYS 49 H LYS 49 -23.947 -12.481 10.383 301 HA LYS 49 HA LYS 49 -24.701 -14.400 12.268 302 HB2 LYS 49 HB2 LYS 49 -25.547 -13.946 9.395 303 HB3 LYS 49 HB3 LYS 49 -26.372 -15.059 10.500 304 HG2 LYS 49 HG2 LYS 49 -26.779 -13.238 12.075 305 HG3 LYS 49 HG3 LYS 49 -25.920 -12.102 11.031 306 HD2 LYS 49 HD2 LYS 49 -27.594 -12.561 9.220 307 HD3 LYS 49 HD3 LYS 49 -28.483 -13.587 10.349 308 HE2 LYS 49 HE2 LYS 49 -27.814 -10.674 10.864 309 HE3 LYS 49 HE3 LYS 49 -29.363 -11.220 10.221 310 HZ1 LYS 49 HZ1 LYS 49 -29.708 -12.537 12.205 311 HZ2 LYS 49 HZ2 LYS 49 -29.409 -10.921 12.640 312 HZ3 LYS 49 HZ3 LYS 49 -28.179 -12.089 12.807 313 H ALA 50 H ALA 50 -23.274 -14.867 9.052 314 HA ALA 50 HA ALA 50 -22.760 -17.649 9.391 315 HB1 ALA 50 HB1 ALA 50 -21.313 -15.727 7.528 316 HB2 ALA 50 HB2 ALA 50 -22.879 -16.455 7.188 317 HB3 ALA 50 HB3 ALA 50 -21.442 -17.474 7.385 318 H LYS 51 H LYS 51 -21.246 -14.946 10.798 319 HA LYS 51 HA LYS 51 -19.247 -14.599 11.858 320 HB2 LYS 51 HB2 LYS 51 -19.636 -17.561 12.403 321 HB3 LYS 51 HB3 LYS 51 -18.492 -16.525 13.247 322 HG2 LYS 51 HG2 LYS 51 -21.480 -16.066 13.173 323 HG3 LYS 51 HG3 LYS 51 -20.617 -16.862 14.480 324 HD2 LYS 51 HD2 LYS 51 -19.242 -14.810 14.824 325 HD3 LYS 51 HD3 LYS 51 -20.136 -14.023 13.521 326 HE2 LYS 51 HE2 LYS 51 -22.240 -14.272 14.809 327 HE3 LYS 51 HE3 LYS 51 -21.325 -15.064 16.096 328 HZ1 LYS 51 HZ1 LYS 51 -19.927 -13.021 16.212 329 HZ2 LYS 51 HZ2 LYS 51 -21.548 -12.775 16.667 330 HZ3 LYS 51 HZ3 LYS 51 -21.020 -12.266 15.141 331 H VAL 52 H VAL 52 -18.543 -14.488 9.405 332 HA VAL 52 HA VAL 52 -16.153 -16.199 9.151 333 HB VAL 52 HB VAL 52 -16.324 -15.678 6.669 334 HG11 VAL 52 HG11 VAL 52 -18.797 -17.122 7.038 335 HG12 VAL 52 HG12 VAL 52 -17.632 -17.611 8.258 336 HG13 VAL 52 HG13 VAL 52 -17.204 -17.746 6.571 337 HG21 VAL 52 HG21 VAL 52 -18.052 -13.767 7.258 338 HG22 VAL 52 HG22 VAL 52 -19.222 -15.082 7.131 339 HG23 VAL 52 HG23 VAL 52 -18.215 -14.690 5.759 340 H LYS 53 H LYS 53 -14.276 -15.219 9.209 341 HA LYS 53 HA LYS 53 -14.194 -12.277 9.222 342 HB2 LYS 53 HB2 LYS 53 -13.253 -13.474 11.171 343 HB3 LYS 53 HB3 LYS 53 -12.096 -14.272 10.109 344 HG2 LYS 53 HG2 LYS 53 -11.149 -12.123 9.457 345 HG3 LYS 53 HG3 LYS 53 -12.339 -11.261 10.431 346 HD2 LYS 53 HD2 LYS 53 -11.424 -12.372 12.468 347 HD3 LYS 53 HD3 LYS 53 -10.220 -13.175 11.462 348 HE2 LYS 53 HE2 LYS 53 -10.553 -10.168 11.642 349 HE3 LYS 53 HE3 LYS 53 -9.363 -11.083 12.583 350 HZ1 LYS 53 HZ1 LYS 53 -8.343 -11.829 10.572 351 HZ2 LYS 53 HZ2 LYS 53 -8.461 -10.136 10.513 352 HZ3 LYS 53 HZ3 LYS 53 -9.532 -11.085 9.626 353 H ILE 54 H ILE 54 -13.467 -11.232 7.553 354 HA ILE 54 HA ILE 54 -11.284 -12.366 5.905 355 HB ILE 54 HB ILE 54 -12.557 -10.980 4.030 356 HG12 ILE 54 HG12 ILE 54 -14.742 -11.732 6.011 357 HG13 ILE 54 HG13 ILE 54 -14.343 -10.118 5.432 358 HG21 ILE 54 HG21 ILE 54 -13.696 -13.125 3.402 359 HG22 ILE 54 HG22 ILE 54 -13.311 -13.756 5.003 360 HG23 ILE 54 HG23 ILE 54 -12.024 -13.341 3.879 361 HD11 ILE 54 HD11 ILE 54 -14.940 -10.957 3.099 362 HD12 ILE 54 HD12 ILE 54 -16.274 -10.816 4.231 363 HD13 ILE 54 HD13 ILE 54 -15.580 -12.412 3.880 364 HA PRO 55 HA PRO 55 -9.890 -8.274 7.404 365 HB2 PRO 55 HB2 PRO 55 -7.243 -8.693 6.849 366 HB3 PRO 55 HB3 PRO 55 -8.035 -9.221 8.348 367 HG2 PRO 55 HG2 PRO 55 -7.122 -10.798 6.061 368 HG3 PRO 55 HG3 PRO 55 -7.406 -11.287 7.736 369 HD2 PRO 55 HD2 PRO 55 -9.120 -11.735 5.495 370 HD3 PRO 55 HD3 PRO 55 -9.471 -12.101 7.189 371 H ARG 56 H ARG 56 -9.434 -9.844 4.310 372 HA ARG 56 HA ARG 56 -8.658 -7.276 3.142 373 HB2 ARG 56 HB2 ARG 56 -7.115 -9.122 2.839 374 HB3 ARG 56 HB3 ARG 56 -8.366 -10.049 2.012 375 HG2 ARG 56 HG2 ARG 56 -8.499 -8.320 0.249 376 HG3 ARG 56 HG3 ARG 56 -7.269 -7.377 1.090 377 HD2 ARG 56 HD2 ARG 56 -5.709 -9.348 0.857 378 HD3 ARG 56 HD3 ARG 56 -6.937 -10.135 -0.130 379 HE ARG 56 HE ARG 56 -6.183 -7.488 -1.048 380 HH11 ARG 56 HH11 ARG 56 -4.738 -10.566 -0.720 381 HH12 ARG 56 HH12 ARG 56 -4.309 -10.721 -2.384 382 HH21 ARG 56 HH21 ARG 56 -5.318 -7.487 -3.120 383 HH22 ARG 56 HH22 ARG 56 -4.098 -8.676 -3.459 384 H LYS 57 H LYS 57 -10.952 -9.950 2.376 385 HA LYS 57 HA LYS 57 -11.761 -8.812 0.008 386 HB2 LYS 57 HB2 LYS 57 -13.419 -10.572 1.822 387 HB3 LYS 57 HB3 LYS 57 -13.921 -10.079 0.210 388 HG2 LYS 57 HG2 LYS 57 -11.968 -11.211 -0.751 389 HG3 LYS 57 HG3 LYS 57 -11.464 -11.730 0.862 390 HD2 LYS 57 HD2 LYS 57 -13.636 -12.894 1.166 391 HD3 LYS 57 HD3 LYS 57 -14.147 -12.371 -0.441 392 HE2 LYS 57 HE2 LYS 57 -12.300 -13.609 -1.452 393 HE3 LYS 57 HE3 LYS 57 -11.776 -14.149 0.144 394 HZ1 LYS 57 HZ1 LYS 57 -13.275 -15.741 -1.118 395 HZ2 LYS 57 HZ2 LYS 57 -14.532 -14.618 -0.869 396 HZ3 LYS 57 HZ3 LYS 57 -13.766 -15.362 0.456 397 H TRP 58 H TRP 58 -13.399 -8.346 3.166 398 HA TRP 58 HA TRP 58 -15.045 -6.295 1.815 399 HB2 TRP 58 HB2 TRP 58 -15.617 -8.245 3.930 400 HB3 TRP 58 HB3 TRP 58 -16.180 -6.610 4.294 401 HD1 TRP 58 HD1 TRP 58 -17.195 -9.632 2.458 402 HE1 TRP 58 HE1 TRP 58 -19.274 -9.073 1.027 403 HE3 TRP 58 HE3 TRP 58 -16.547 -4.638 2.034 404 HZ2 TRP 58 HZ2 TRP 58 -20.052 -6.854 -0.704 405 HZ3 TRP 58 HZ3 TRP 58 -17.887 -3.319 0.393 406 HH2 TRP 58 HH2 TRP 58 -19.393 -4.494 -1.178 407 H LYS 59 H LYS 59 -12.873 -6.924 4.424 408 HA LYS 59 HA LYS 59 -13.259 -4.595 5.883 409 HB2 LYS 59 HB2 LYS 59 -11.961 -6.709 6.534 410 HB3 LYS 59 HB3 LYS 59 -10.581 -5.943 5.741 411 HG2 LYS 59 HG2 LYS 59 -10.697 -4.042 7.241 412 HG3 LYS 59 HG3 LYS 59 -12.191 -4.652 7.963 413 HD2 LYS 59 HD2 LYS 59 -10.972 -6.665 8.752 414 HD3 LYS 59 HD3 LYS 59 -9.483 -6.051 8.019 415 HE2 LYS 59 HE2 LYS 59 -9.595 -4.055 9.479 416 HE3 LYS 59 HE3 LYS 59 -11.098 -4.659 10.177 417 HZ1 LYS 59 HZ1 LYS 59 -9.075 -5.144 11.516 418 HZ2 LYS 59 HZ2 LYS 59 -8.546 -6.161 10.258 419 HZ3 LYS 59 HZ3 LYS 59 -9.978 -6.514 11.108 420 H ARG 60 H ARG 60 -11.134 -5.222 3.203 421 HA ARG 60 HA ARG 60 -9.926 -2.551 3.351 422 HB2 ARG 60 HB2 ARG 60 -9.252 -4.988 1.684 423 HB3 ARG 60 HB3 ARG 60 -8.371 -3.466 1.606 424 HG2 ARG 60 HG2 ARG 60 -8.754 -5.109 4.137 425 HG3 ARG 60 HG3 ARG 60 -7.323 -5.185 3.114 426 HD2 ARG 60 HD2 ARG 60 -6.938 -2.755 3.503 427 HD3 ARG 60 HD3 ARG 60 -8.367 -2.716 4.529 428 HE ARG 60 HE ARG 60 -5.852 -4.143 5.156 429 HH11 ARG 60 HH11 ARG 60 -9.111 -3.167 6.293 430 HH12 ARG 60 HH12 ARG 60 -8.243 -2.326 7.515 431 HH21 ARG 60 HH21 ARG 60 -5.454 -4.140 7.403 432 HH22 ARG 60 HH22 ARG 60 -6.859 -4.441 8.386 433 H ARG 61 H ARG 61 -12.601 -3.803 1.920 434 HA ARG 61 HA ARG 61 -12.234 -2.184 -0.503 435 HB2 ARG 61 HB2 ARG 61 -13.642 -4.824 -0.195 436 HB3 ARG 61 HB3 ARG 61 -13.876 -3.776 -1.606 437 HG2 ARG 61 HG2 ARG 61 -11.424 -3.782 -1.992 438 HG3 ARG 61 HG3 ARG 61 -11.218 -4.851 -0.604 439 HD2 ARG 61 HD2 ARG 61 -12.560 -6.593 -1.716 440 HD3 ARG 61 HD3 ARG 61 -12.802 -5.516 -3.098 441 HE ARG 61 HE ARG 61 -10.020 -5.817 -2.498 442 HH11 ARG 61 HH11 ARG 61 -12.704 -7.070 -4.275 443 HH12 ARG 61 HH12 ARG 61 -11.698 -7.802 -5.467 444 HH21 ARG 61 HH21 ARG 61 -8.826 -7.527 -3.652 445 HH22 ARG 61 HH22 ARG 61 -9.369 -7.380 -5.288 446 H TYR 62 H TYR 62 -13.495 -1.441 2.158 447 HA TYR 62 HA TYR 62 -15.979 -0.449 0.952 448 HB2 TYR 62 HB2 TYR 62 -17.283 -0.942 2.984 449 HB3 TYR 62 HB3 TYR 62 -16.830 -2.344 2.041 450 HD1 TYR 62 HD1 TYR 62 -14.028 -1.054 4.020 451 HD2 TYR 62 HD2 TYR 62 -17.619 -3.388 4.211 452 HE1 TYR 62 HE1 TYR 62 -13.486 -1.709 6.335 453 HE2 TYR 62 HE2 TYR 62 -17.076 -4.026 6.534 454 HH TYR 62 HH TYR 62 -15.415 -3.992 8.161 455 H CYS 63 H CYS 63 -17.014 1.280 1.833 456 HA CYS 63 HA CYS 63 -15.588 3.226 3.295 457 HB2 CYS 63 HB2 CYS 63 -17.816 3.333 1.817 458 HB3 CYS 63 HB3 CYS 63 -18.569 3.170 3.388 459 H LYS 64 H LYS 64 -15.489 3.755 5.359 460 HA LYS 64 HA LYS 64 -15.878 1.889 7.354 461 HB2 LYS 64 HB2 LYS 64 -14.374 3.872 7.456 462 HB3 LYS 64 HB3 LYS 64 -15.782 4.917 7.623 463 HG2 LYS 64 HG2 LYS 64 -14.890 4.564 9.816 464 HG3 LYS 64 HG3 LYS 64 -16.388 3.636 9.711 465 HD2 LYS 64 HD2 LYS 64 -15.131 1.581 9.304 466 HD3 LYS 64 HD3 LYS 64 -13.612 2.476 9.283 467 HE2 LYS 64 HE2 LYS 64 -13.978 3.143 11.622 468 HE3 LYS 64 HE3 LYS 64 -15.507 2.264 11.645 469 HZ1 LYS 64 HZ1 LYS 64 -13.000 0.908 10.870 470 HZ2 LYS 64 HZ2 LYS 64 -14.422 0.230 11.487 471 HZ3 LYS 64 HZ3 LYS 64 -13.393 1.097 12.513 472 H LYS 65 H LYS 65 -18.052 4.531 6.375 473 HA LYS 65 HA LYS 65 -19.984 3.787 8.455 474 HB2 LYS 65 HB2 LYS 65 -19.634 6.194 8.034 475 HB3 LYS 65 HB3 LYS 65 -20.216 5.978 6.374 476 HG2 LYS 65 HG2 LYS 65 -22.377 5.189 7.215 477 HG3 LYS 65 HG3 LYS 65 -21.805 5.322 8.879 478 HD2 LYS 65 HD2 LYS 65 -21.504 7.789 8.534 479 HD3 LYS 65 HD3 LYS 65 -22.117 7.601 6.884 480 HE2 LYS 65 HE2 LYS 65 -24.011 8.282 8.103 481 HE3 LYS 65 HE3 LYS 65 -24.201 6.538 7.974 482 HZ1 LYS 65 HZ1 LYS 65 -22.815 6.619 10.198 483 HZ2 LYS 65 HZ2 LYS 65 -24.510 6.771 10.195 484 HZ3 LYS 65 HZ3 LYS 65 -23.544 8.159 10.317 485 H CYS 66 H CYS 66 -19.785 4.064 4.926 486 HA CYS 66 HA CYS 66 -22.474 3.244 4.531 487 HB2 CYS 66 HB2 CYS 66 -20.256 3.407 2.479 488 HB3 CYS 66 HB3 CYS 66 -21.989 3.465 2.166 489 H HIS 67 H HIS 67 -19.476 1.651 4.733 490 HA HIS 67 HA HIS 67 -18.739 -0.477 4.449 491 HB2 HIS 67 HB2 HIS 67 -21.703 -1.087 4.557 492 HB3 HIS 67 HB3 HIS 67 -20.413 -2.297 4.657 493 HD1 HIS 67 HD1 HIS 67 -22.292 0.165 6.680 494 HD2 HIS 67 HD2 HIS 67 -18.426 -1.394 6.802 495 HE1 HIS 67 HE1 HIS 67 -21.464 0.403 9.084 496 HE2 HIS 67 HE2 HIS 67 -19.058 -0.390 9.115 497 H ALA 68 H ALA 68 -20.026 1.321 2.179 498 HA ALA 68 HA ALA 68 -20.781 -0.570 0.128 499 HB1 ALA 68 HB1 ALA 68 -20.866 1.401 -1.341 500 HB2 ALA 68 HB2 ALA 68 -20.166 2.398 -0.060 501 HB3 ALA 68 HB3 ALA 68 -21.775 1.678 0.129 502 H PHE 69 H PHE 69 -19.596 -0.724 -1.972 503 HA PHE 69 HA PHE 69 -16.999 -1.714 -1.299 504 HB2 PHE 69 HB2 PHE 69 -18.784 -2.468 -3.093 505 HB3 PHE 69 HB3 PHE 69 -17.944 -1.316 -4.116 506 HD1 PHE 69 HD1 PHE 69 -15.295 -1.489 -4.042 507 HD2 PHE 69 HD2 PHE 69 -18.185 -4.592 -3.608 508 HE1 PHE 69 HE1 PHE 69 -13.555 -3.196 -4.609 509 HE2 PHE 69 HE2 PHE 69 -16.631 -6.177 -4.712 510 HZ PHE 69 HZ PHE 69 -14.475 -5.317 -5.573 511 H LEU 70 H LEU 70 -15.055 -0.638 -1.449 512 HA LEU 70 HA LEU 70 -15.119 2.082 -2.540 513 HB2 LEU 70 HB2 LEU 70 -13.747 0.736 -0.397 514 HB3 LEU 70 HB3 LEU 70 -12.588 1.562 -1.436 515 HG LEU 70 HG LEU 70 -13.435 2.966 0.459 516 HD11 LEU 70 HD11 LEU 70 -14.498 4.411 -1.877 517 HD12 LEU 70 HD12 LEU 70 -12.915 3.685 -2.139 518 HD13 LEU 70 HD13 LEU 70 -13.164 4.815 -0.811 519 HD21 LEU 70 HD21 LEU 70 -15.824 1.933 0.148 520 HD22 LEU 70 HD22 LEU 70 -16.041 3.265 -0.988 521 HD23 LEU 70 HD23 LEU 70 -15.643 3.595 0.683 522 H VAL 71 H VAL 71 -14.983 1.969 -4.619 523 HA VAL 71 HA VAL 71 -12.253 1.610 -5.606 524 HB VAL 71 HB VAL 71 -14.734 0.718 -7.087 525 HG11 VAL 71 HG11 VAL 71 -13.225 0.220 -8.960 526 HG12 VAL 71 HG12 VAL 71 -11.867 0.857 -8.048 527 HG13 VAL 71 HG13 VAL 71 -13.163 1.944 -8.587 528 HG21 VAL 71 HG21 VAL 71 -13.349 -1.421 -7.213 529 HG22 VAL 71 HG22 VAL 71 -13.990 -1.004 -5.622 530 HG23 VAL 71 HG23 VAL 71 -12.295 -0.680 -6.003 531 HA PRO 72 HA PRO 72 -13.222 5.892 -6.529 532 HB2 PRO 72 HB2 PRO 72 -11.057 5.773 -8.555 533 HB3 PRO 72 HB3 PRO 72 -11.237 6.821 -7.139 534 HG2 PRO 72 HG2 PRO 72 -9.455 4.830 -7.254 535 HG3 PRO 72 HG3 PRO 72 -10.215 5.372 -5.751 536 HD2 PRO 72 HD2 PRO 72 -10.768 2.906 -7.362 537 HD3 PRO 72 HD3 PRO 72 -10.888 3.151 -5.606 538 H GLY 73 H GLY 73 -14.560 6.831 -7.897 539 HA2 GLY 73 HA2 GLY 73 -15.320 7.572 -10.025 540 HA3 GLY 73 HA3 GLY 73 -14.711 6.083 -10.743 541 H ILE 74 H ILE 74 -16.276 5.199 -7.890 542 HA ILE 74 HA ILE 74 -18.187 3.953 -9.784 543 HB ILE 74 HB ILE 74 -16.968 2.728 -7.300 544 HG12 ILE 74 HG12 ILE 74 -15.239 3.117 -9.012 545 HG13 ILE 74 HG13 ILE 74 -15.581 1.402 -8.821 546 HG21 ILE 74 HG21 ILE 74 -17.896 0.646 -8.259 547 HG22 ILE 74 HG22 ILE 74 -18.524 1.549 -9.618 548 HG23 ILE 74 HG23 ILE 74 -19.174 1.833 -8.018 549 HD11 ILE 74 HD11 ILE 74 -16.899 3.066 -10.974 550 HD12 ILE 74 HD12 ILE 74 -16.821 1.312 -10.838 551 HD13 ILE 74 HD13 ILE 74 -15.365 2.242 -11.222 552 H ASN 75 H ASN 75 -17.937 3.806 -6.251 553 HA ASN 75 HA ASN 75 -20.512 5.250 -5.968 554 HB2 ASN 75 HB2 ASN 75 -20.691 4.313 -3.755 555 HB3 ASN 75 HB3 ASN 75 -20.457 2.997 -4.888 556 HD21 ASN 75 HD21 ASN 75 -19.574 3.398 -1.826 557 HD22 ASN 75 HD22 ASN 75 -18.434 2.181 -2.109 558 H ALA 76 H ALA 76 -17.432 5.962 -6.172 559 HA ALA 76 HA ALA 76 -17.342 8.076 -4.203 560 HB1 ALA 76 HB1 ALA 76 -15.531 7.228 -2.898 561 HB2 ALA 76 HB2 ALA 76 -15.284 5.845 -4.000 562 HB3 ALA 76 HB3 ALA 76 -16.710 5.931 -2.941 563 H ARG 77 H ARG 77 -15.567 9.452 -4.634 564 HA ARG 77 HA ARG 77 -14.082 8.918 -7.139 565 HB2 ARG 77 HB2 ARG 77 -16.026 10.586 -7.348 566 HB3 ARG 77 HB3 ARG 77 -15.082 11.637 -6.291 567 HG2 ARG 77 HG2 ARG 77 -13.167 11.506 -7.876 568 HG3 ARG 77 HG3 ARG 77 -14.129 10.477 -8.941 569 HD2 ARG 77 HD2 ARG 77 -14.874 13.305 -8.147 570 HD3 ARG 77 HD3 ARG 77 -14.088 12.868 -9.660 571 HE ARG 77 HE ARG 77 -16.863 12.531 -8.958 572 HH11 ARG 77 HH11 ARG 77 -14.331 11.080 -10.849 573 HH12 ARG 77 HH12 ARG 77 -15.332 10.945 -12.245 574 HH21 ARG 77 HH21 ARG 77 -18.218 11.807 -10.661 575 HH22 ARG 77 HH22 ARG 77 -17.559 10.414 -11.471 576 H VAL 78 H VAL 78 -12.028 9.715 -7.253 577 HA VAL 78 HA VAL 78 -10.871 10.659 -4.706 578 HB VAL 78 HB VAL 78 -10.432 8.210 -5.199 579 HG11 VAL 78 HG11 VAL 78 -8.357 9.113 -7.163 580 HG12 VAL 78 HG12 VAL 78 -10.020 8.846 -7.734 581 HG13 VAL 78 HG13 VAL 78 -9.115 7.539 -6.976 582 HG21 VAL 78 HG21 VAL 78 -7.793 9.575 -5.210 583 HG22 VAL 78 HG22 VAL 78 -8.452 8.410 -4.072 584 HG23 VAL 78 HG23 VAL 78 -8.935 10.105 -3.979 585 H ARG 79 H ARG 79 -9.544 12.272 -4.826 586 HA ARG 79 HA ARG 79 -8.632 13.279 -7.469 587 HB2 ARG 79 HB2 ARG 79 -10.125 14.860 -6.203 588 HB3 ARG 79 HB3 ARG 79 -8.970 14.831 -4.878 589 HG2 ARG 79 HG2 ARG 79 -7.216 15.701 -6.395 590 HG3 ARG 79 HG3 ARG 79 -8.403 15.795 -7.693 591 HD2 ARG 79 HD2 ARG 79 -8.699 17.205 -5.031 592 HD3 ARG 79 HD3 ARG 79 -8.055 17.974 -6.467 593 HE ARG 79 HE ARG 79 -10.517 16.828 -7.167 594 HH11 ARG 79 HH11 ARG 79 -9.240 19.334 -5.173 595 HH12 ARG 79 HH12 ARG 79 -10.622 20.343 -5.343 596 HH21 ARG 79 HH21 ARG 79 -12.464 17.936 -6.990 597 HH22 ARG 79 HH22 ARG 79 -12.334 19.647 -6.744 598 H LEU 80 H LEU 80 -6.485 13.423 -7.741 599 HA LEU 80 HA LEU 80 -4.807 12.505 -5.466 600 HB2 LEU 80 HB2 LEU 80 -4.230 12.289 -8.435 601 HB3 LEU 80 HB3 LEU 80 -3.253 11.644 -7.120 602 HG LEU 80 HG LEU 80 -5.510 10.447 -6.430 603 HD11 LEU 80 HD11 LEU 80 -7.203 10.762 -7.872 604 HD12 LEU 80 HD12 LEU 80 -6.286 9.875 -9.079 605 HD13 LEU 80 HD13 LEU 80 -6.151 11.625 -8.998 606 HD21 LEU 80 HD21 LEU 80 -4.763 8.482 -7.474 607 HD22 LEU 80 HD22 LEU 80 -3.297 9.440 -7.300 608 HD23 LEU 80 HD23 LEU 80 -4.133 9.343 -8.873 609 H ARG 81 H ARG 81 -3.569 14.037 -4.644 610 HA ARG 81 HA ARG 81 -2.987 16.431 -6.259 611 HB2 ARG 81 HB2 ARG 81 -3.289 16.090 -3.272 612 HB3 ARG 81 HB3 ARG 81 -2.752 17.580 -4.045 613 HG2 ARG 81 HG2 ARG 81 -4.847 17.698 -5.325 614 HG3 ARG 81 HG3 ARG 81 -5.383 16.180 -4.608 615 HD2 ARG 81 HD2 ARG 81 -4.714 18.669 -3.028 616 HD3 ARG 81 HD3 ARG 81 -6.340 18.242 -3.529 617 HE ARG 81 HE ARG 81 -5.330 16.025 -2.162 618 HH11 ARG 81 HH11 ARG 81 -6.382 19.279 -1.586 619 HH12 ARG 81 HH12 ARG 81 -6.150 19.146 0.117 620 HH21 ARG 81 HH21 ARG 81 -5.718 15.714 0.030 621 HH22 ARG 81 HH22 ARG 81 -6.010 17.085 1.042 622 H GLN 82 H GLN 82 -0.963 17.205 -6.448 623 HA GLN 82 HA GLN 82 1.181 15.514 -5.307 624 HB2 GLN 82 HB2 GLN 82 0.979 15.346 -7.763 625 HB3 GLN 82 HB3 GLN 82 1.227 17.090 -7.879 626 HG2 GLN 82 HG2 GLN 82 3.450 16.849 -6.836 627 HG3 GLN 82 HG3 GLN 82 3.194 15.111 -6.670 628 HE21 GLN 82 HE21 GLN 82 4.677 14.252 -8.191 629 HE22 GLN 82 HE22 GLN 82 4.657 14.648 -9.834 630 H LYS 83 H LYS 83 1.747 16.433 -3.638 631 HA LYS 83 HA LYS 83 3.241 18.998 -3.728 632 HB2 LYS 83 HB2 LYS 83 1.538 17.862 -1.461 633 HB3 LYS 83 HB3 LYS 83 2.632 19.242 -1.302 634 HG2 LYS 83 HG2 LYS 83 1.341 20.485 -2.983 635 HG3 LYS 83 HG3 LYS 83 0.249 19.102 -3.205 636 HD2 LYS 83 HD2 LYS 83 -0.405 19.283 -0.814 637 HD3 LYS 83 HD3 LYS 83 0.667 20.682 -0.629 638 HE2 LYS 83 HE2 LYS 83 -0.646 21.914 -2.325 639 HE3 LYS 83 HE3 LYS 83 -1.702 20.507 -2.539 640 HZ1 LYS 83 HZ1 LYS 83 -1.335 22.121 -0.068 641 HZ2 LYS 83 HZ2 LYS 83 -2.229 20.674 -0.142 642 HZ3 LYS 83 HZ3 LYS 83 -2.739 22.019 -1.036 643 H ARG 84 H ARG 84 4.967 18.588 -1.594 644 HA ARG 84 HA ARG 84 6.061 15.898 -2.323 645 HB2 ARG 84 HB2 ARG 84 7.119 18.150 -0.560 646 HB3 ARG 84 HB3 ARG 84 7.986 16.664 -0.926 647 HG2 ARG 84 HG2 ARG 84 8.069 17.296 -3.310 648 HG3 ARG 84 HG3 ARG 84 7.194 18.772 -2.949 649 HD2 ARG 84 HD2 ARG 84 9.854 18.066 -1.679 650 HD3 ARG 84 HD3 ARG 84 9.670 19.146 -3.067 651 HE ARG 84 HE ARG 84 8.920 19.708 -0.303 652 HH11 ARG 84 HH11 ARG 84 8.207 20.458 -3.604 653 HH12 ARG 84 HH12 ARG 84 7.916 22.127 -3.296 654 HH21 ARG 84 HH21 ARG 84 8.414 21.806 0.100 655 HH22 ARG 84 HH22 ARG 84 7.856 22.841 -1.166 656 H MET 85 H MET 85 3.639 15.951 -1.136 657 HA MET 85 HA MET 85 4.312 14.054 0.933 658 HB2 MET 85 HB2 MET 85 1.831 15.395 1.659 659 HB3 MET 85 HB3 MET 85 3.226 15.068 2.669 660 HG2 MET 85 HG2 MET 85 4.336 17.101 1.835 661 HG3 MET 85 HG3 MET 85 2.966 17.405 0.756 662 HE1 MET 85 HE1 MET 85 3.604 19.261 4.563 663 HE2 MET 85 HE2 MET 85 4.592 18.857 3.134 664 HE3 MET 85 HE3 MET 85 4.344 17.673 4.401 665 HA PRO 86 HA PRO 86 1.486 12.834 -2.539 666 HB2 PRO 86 HB2 PRO 86 1.635 10.060 -1.437 667 HB3 PRO 86 HB3 PRO 86 1.905 10.630 -3.085 668 HG2 PRO 86 HG2 PRO 86 3.921 9.878 -1.476 669 HG3 PRO 86 HG3 PRO 86 4.102 11.112 -2.727 670 HD2 PRO 86 HD2 PRO 86 3.975 11.449 0.234 671 HD3 PRO 86 HD3 PRO 86 4.744 12.475 -1.005 672 H HIS 87 H HIS 87 -0.699 13.025 -2.376 673 HA HIS 87 HA HIS 87 -2.151 11.763 -0.150 674 HB2 HIS 87 HB2 HIS 87 -1.957 14.691 -0.778 675 HB3 HIS 87 HB3 HIS 87 -3.433 14.060 -0.049 676 HD1 HIS 87 HD1 HIS 87 0.298 14.316 0.530 677 HD2 HIS 87 HD2 HIS 87 -3.124 13.236 2.689 678 HE1 HIS 87 HE1 HIS 87 1.016 13.791 2.910 679 HE2 HIS 87 HE2 HIS 87 -1.112 13.679 4.298 680 H ILE 88 H ILE 88 -4.176 11.096 -0.643 681 HA ILE 88 HA ILE 88 -5.478 12.140 -3.075 682 HB ILE 88 HB ILE 88 -6.451 9.959 -3.514 683 HG12 ILE 88 HG12 ILE 88 -4.681 8.919 -1.278 684 HG13 ILE 88 HG13 ILE 88 -6.423 9.162 -1.120 685 HG21 ILE 88 HG21 ILE 88 -3.472 9.639 -3.129 686 HG22 ILE 88 HG22 ILE 88 -4.173 10.629 -4.410 687 HG23 ILE 88 HG23 ILE 88 -4.483 8.888 -4.370 688 HD11 ILE 88 HD11 ILE 88 -6.038 7.668 -3.501 689 HD12 ILE 88 HD12 ILE 88 -6.743 7.114 -1.966 690 HD13 ILE 88 HD13 ILE 88 -5.031 6.923 -2.270 691 H VAL 89 H VAL 89 -7.677 12.569 -2.848 692 HA VAL 89 HA VAL 89 -8.825 12.100 -0.167 693 HB VAL 89 HB VAL 89 -10.271 14.103 -0.608 694 HG11 VAL 89 HG11 VAL 89 -7.493 13.989 0.207 695 HG12 VAL 89 HG12 VAL 89 -8.825 14.943 0.871 696 HG13 VAL 89 HG13 VAL 89 -7.871 15.548 -0.485 697 HG21 VAL 89 HG21 VAL 89 -9.746 15.665 -2.278 698 HG22 VAL 89 HG22 VAL 89 -9.667 14.126 -3.118 699 HG23 VAL 89 HG23 VAL 89 -8.178 14.930 -2.619 700 H VAL 90 H VAL 90 -10.717 11.083 -0.075 701 HA VAL 90 HA VAL 90 -11.926 10.235 -2.642 702 HB VAL 90 HB VAL 90 -11.371 8.634 -0.136 703 HG11 VAL 90 HG11 VAL 90 -12.543 6.766 -1.407 704 HG12 VAL 90 HG12 VAL 90 -13.160 8.019 -2.486 705 HG13 VAL 90 HG13 VAL 90 -13.605 8.029 -0.783 706 HG21 VAL 90 HG21 VAL 90 -10.287 7.086 -1.811 707 HG22 VAL 90 HG22 VAL 90 -9.494 8.651 -1.640 708 HG23 VAL 90 HG23 VAL 90 -10.535 8.364 -3.020 709 H LYS 91 H LYS 91 -14.051 10.459 -2.758 710 HA LYS 91 HA LYS 91 -15.558 11.186 -0.314 711 HB2 LYS 91 HB2 LYS 91 -17.120 12.237 -2.245 712 HB3 LYS 91 HB3 LYS 91 -15.946 13.186 -1.351 713 HG2 LYS 91 HG2 LYS 91 -15.435 11.895 -4.041 714 HG3 LYS 91 HG3 LYS 91 -15.921 13.568 -3.822 715 HD2 LYS 91 HD2 LYS 91 -13.869 14.024 -2.549 716 HD3 LYS 91 HD3 LYS 91 -13.334 12.359 -2.777 717 HE2 LYS 91 HE2 LYS 91 -13.367 12.718 -5.245 718 HE3 LYS 91 HE3 LYS 91 -13.839 14.395 -4.951 719 HZ1 LYS 91 HZ1 LYS 91 -11.805 14.903 -4.023 720 HZ2 LYS 91 HZ2 LYS 91 -11.356 13.817 -5.257 721 HZ3 LYS 91 HZ3 LYS 91 -11.446 13.290 -3.640 722 H CYS 92 H CYS 92 -17.135 9.669 0.052 723 HA CYS 92 HA CYS 92 -17.884 7.915 -2.217 724 HB2 CYS 92 HB2 CYS 92 -16.929 6.329 -0.871 725 HB3 CYS 92 HB3 CYS 92 -17.230 7.258 0.611 726 H LEU 93 H LEU 93 -19.993 7.790 -2.651 727 HA LEU 93 HA LEU 93 -21.254 10.228 -2.003 728 HB2 LEU 93 HB2 LEU 93 -22.108 7.884 -3.691 729 HB3 LEU 93 HB3 LEU 93 -23.098 9.328 -3.495 730 HG LEU 93 HG LEU 93 -20.186 9.441 -4.359 731 HD11 LEU 93 HD11 LEU 93 -21.579 8.149 -5.991 732 HD12 LEU 93 HD12 LEU 93 -20.921 9.638 -6.642 733 HD13 LEU 93 HD13 LEU 93 -22.619 9.554 -6.169 734 HD21 LEU 93 HD21 LEU 93 -20.643 11.610 -3.793 735 HD22 LEU 93 HD22 LEU 93 -22.394 11.373 -3.889 736 HD23 LEU 93 HD23 LEU 93 -21.470 11.644 -5.362 737 H GLU 94 H GLU 94 -21.748 6.892 -1.035 738 HA GLU 94 HA GLU 94 -24.390 7.143 -0.072 739 HB2 GLU 94 HB2 GLU 94 -22.793 5.208 1.443 740 HB3 GLU 94 HB3 GLU 94 -24.253 4.985 0.500 741 HG2 GLU 94 HG2 GLU 94 -21.408 5.001 -0.528 742 HG3 GLU 94 HG3 GLU 94 -22.536 3.653 -0.500 743 H CYS 95 H CYS 95 -21.264 7.728 1.500 744 HA CYS 95 HA CYS 95 -22.578 8.425 4.033 745 HB2 CYS 95 HB2 CYS 95 -20.283 9.466 4.577 746 HB3 CYS 95 HB3 CYS 95 -20.443 7.718 4.587 747 H GLY 96 H GLY 96 -21.593 9.810 1.075 748 HA2 GLY 96 HA2 GLY 96 -21.780 11.935 0.212 749 HA3 GLY 96 HA3 GLY 96 -22.597 12.409 1.699 750 H HIS 97 H HIS 97 -19.392 10.962 1.985 751 HA HIS 97 HA HIS 97 -18.555 13.555 3.084 752 HB2 HIS 97 HB2 HIS 97 -18.376 10.922 4.554 753 HB3 HIS 97 HB3 HIS 97 -17.582 12.422 5.042 754 HD1 HIS 97 HD1 HIS 97 -19.553 14.563 4.738 755 HD2 HIS 97 HD2 HIS 97 -20.487 10.844 6.373 756 HE1 HIS 97 HE1 HIS 97 -21.674 14.842 6.103 757 HE2 HIS 97 HE2 HIS 97 -22.569 12.484 6.449 758 H ILE 98 H ILE 98 -16.408 13.972 3.156 759 HA ILE 98 HA ILE 98 -14.784 12.529 1.208 760 HB ILE 98 HB ILE 98 -15.023 14.977 1.041 761 HG12 ILE 98 HG12 ILE 98 -12.636 15.556 0.869 762 HG13 ILE 98 HG13 ILE 98 -12.226 14.079 1.746 763 HG21 ILE 98 HG21 ILE 98 -13.294 15.338 3.465 764 HG22 ILE 98 HG22 ILE 98 -15.032 15.101 3.691 765 HG23 ILE 98 HG23 ILE 98 -14.449 16.459 2.726 766 HD11 ILE 98 HD11 ILE 98 -13.977 13.565 -0.533 767 HD12 ILE 98 HD12 ILE 98 -12.455 12.810 -0.085 768 HD13 ILE 98 HD13 ILE 98 -12.453 14.317 -0.996 769 H MET 99 H MET 99 -13.245 11.241 1.673 770 HA MET 99 HA MET 99 -12.045 11.147 4.378 771 HB2 MET 99 HB2 MET 99 -12.379 9.038 2.242 772 HB3 MET 99 HB3 MET 99 -11.436 8.798 3.713 773 HG2 MET 99 HG2 MET 99 -13.451 9.187 5.079 774 HG3 MET 99 HG3 MET 99 -14.381 9.534 3.621 775 HE1 MET 99 HE1 MET 99 -11.624 6.559 4.115 776 HE2 MET 99 HE2 MET 99 -12.716 5.531 5.050 777 HE3 MET 99 HE3 MET 99 -12.317 7.166 5.605 778 H ARG 100 H ARG 100 -9.896 11.285 4.591 779 HA ARG 100 HA ARG 100 -8.295 11.975 2.201 780 HB2 ARG 100 HB2 ARG 100 -7.878 12.421 5.173 781 HB3 ARG 100 HB3 ARG 100 -6.674 12.813 3.949 782 HG2 ARG 100 HG2 ARG 100 -8.265 14.348 2.854 783 HG3 ARG 100 HG3 ARG 100 -9.489 13.933 4.059 784 HD2 ARG 100 HD2 ARG 100 -8.038 14.838 5.850 785 HD3 ARG 100 HD3 ARG 100 -6.813 15.246 4.645 786 HE ARG 100 HE ARG 100 -9.156 16.471 3.789 787 HH11 ARG 100 HH11 ARG 100 -6.967 16.628 6.496 788 HH12 ARG 100 HH12 ARG 100 -7.026 18.359 6.538 789 HH21 ARG 100 HH21 ARG 100 -9.802 18.520 4.454 790 HH22 ARG 100 HH22 ARG 100 -8.781 19.417 5.529 791 H TYR 101 H TYR 101 -6.776 10.582 1.505 792 HA TYR 101 HA TYR 101 -5.797 8.502 3.379 793 HB2 TYR 101 HB2 TYR 101 -6.923 8.257 0.724 794 HB3 TYR 101 HB3 TYR 101 -5.251 7.705 0.717 795 HD1 TYR 101 HD1 TYR 101 -8.424 7.384 2.709 796 HD2 TYR 101 HD2 TYR 101 -4.762 5.529 1.421 797 HE1 TYR 101 HE1 TYR 101 -9.219 5.184 3.562 798 HE2 TYR 101 HE2 TYR 101 -5.511 3.377 2.391 799 HH TYR 101 HH TYR 101 -8.570 2.658 3.202 800 HA PRO 102 HA PRO 102 -1.983 10.942 2.507 801 HB2 PRO 102 HB2 PRO 102 -1.185 9.450 4.937 802 HB3 PRO 102 HB3 PRO 102 -1.101 11.190 4.610 803 HG2 PRO 102 HG2 PRO 102 -2.853 10.174 6.339 804 HG3 PRO 102 HG3 PRO 102 -3.266 11.553 5.303 805 HD2 PRO 102 HD2 PRO 102 -3.980 8.631 4.950 806 HD3 PRO 102 HD3 PRO 102 -5.017 10.069 4.752 807 H TYR 103 H TYR 103 -0.315 10.091 1.333 808 HA TYR 103 HA TYR 103 0.479 7.306 1.864 809 HB2 TYR 103 HB2 TYR 103 -0.887 7.372 -0.182 810 HB3 TYR 103 HB3 TYR 103 0.210 8.574 -0.867 811 HD1 TYR 103 HD1 TYR 103 0.087 5.096 0.474 812 HD2 TYR 103 HD2 TYR 103 2.064 7.867 -2.123 813 HE1 TYR 103 HE1 TYR 103 1.665 3.321 -0.206 814 HE2 TYR 103 HE2 TYR 103 3.461 6.032 -2.991 815 HH TYR 103 HH TYR 103 3.263 3.646 -3.158 816 H ILE 104 H ILE 104 2.596 7.056 2.198 817 HA ILE 104 HA ILE 104 4.418 9.246 1.395 818 HB ILE 104 HB ILE 104 4.466 7.708 3.998 819 HG12 ILE 104 HG12 ILE 104 4.206 10.677 3.453 820 HG13 ILE 104 HG13 ILE 104 2.823 9.615 3.718 821 HG21 ILE 104 HG21 ILE 104 6.753 8.014 3.295 822 HG22 ILE 104 HG22 ILE 104 6.406 9.241 4.513 823 HG23 ILE 104 HG23 ILE 104 6.439 9.673 2.801 824 HD11 ILE 104 HD11 ILE 104 3.428 10.752 5.786 825 HD12 ILE 104 HD12 ILE 104 5.058 10.103 5.698 826 HD13 ILE 104 HD13 ILE 104 3.695 9.003 5.944 827 H LYS 105 H LYS 105 6.051 8.757 0.293 828 HA LYS 105 HA LYS 105 6.673 6.840 -1.296 829 HB2 LYS 105 HB2 LYS 105 8.727 7.930 0.645 830 HB3 LYS 105 HB3 LYS 105 9.103 7.144 -0.890 831 HG2 LYS 105 HG2 LYS 105 7.440 9.669 -0.595 832 HG3 LYS 105 HG3 LYS 105 9.150 9.637 -1.033 833 HD2 LYS 105 HD2 LYS 105 8.600 8.318 -3.070 834 HD3 LYS 105 HD3 LYS 105 6.885 8.371 -2.625 835 HE2 LYS 105 HE2 LYS 105 6.916 10.829 -2.748 836 HE3 LYS 105 HE3 LYS 105 8.632 10.785 -3.171 837 HZ1 LYS 105 HZ1 LYS 105 7.257 9.044 -4.882 838 HZ2 LYS 105 HZ2 LYS 105 8.079 10.465 -5.283 839 HZ3 LYS 105 HZ3 LYS 105 6.430 10.529 -4.874 Start of MODEL 13 1 H LYS 15 H LYS 15 -19.558 -15.663 3.992 2 HA LYS 15 HA LYS 15 -17.584 -16.582 3.263 3 HB2 LYS 15 HB2 LYS 15 -17.643 -18.420 4.918 4 HB3 LYS 15 HB3 LYS 15 -18.760 -19.296 3.879 5 HG2 LYS 15 HG2 LYS 15 -17.057 -19.360 2.083 6 HG3 LYS 15 HG3 LYS 15 -15.974 -18.420 3.101 7 HD2 LYS 15 HD2 LYS 15 -15.987 -20.246 4.776 8 HD3 LYS 15 HD3 LYS 15 -17.061 -21.186 3.742 9 HE2 LYS 15 HE2 LYS 15 -15.353 -21.219 1.978 10 HE3 LYS 15 HE3 LYS 15 -14.270 -20.249 2.990 11 HZ1 LYS 15 HZ1 LYS 15 -15.087 -22.373 4.557 12 HZ2 LYS 15 HZ2 LYS 15 -13.546 -22.134 3.869 13 HZ3 LYS 15 HZ3 LYS 15 -14.721 -23.048 3.036 14 H GLU 16 H GLU 16 -19.529 -19.306 2.227 15 HA GLU 16 HA GLU 16 -19.356 -18.667 -0.466 16 HB2 GLU 16 HB2 GLU 16 -21.360 -20.457 0.958 17 HB3 GLU 16 HB3 GLU 16 -21.146 -20.385 -0.790 18 HG2 GLU 16 HG2 GLU 16 -18.837 -21.099 -0.609 19 HG3 GLU 16 HG3 GLU 16 -18.920 -21.067 1.151 20 H ARG 17 H ARG 17 -22.128 -18.180 1.729 21 HA ARG 17 HA ARG 17 -23.859 -16.923 -0.027 22 HB2 ARG 17 HB2 ARG 17 -24.370 -17.596 2.321 23 HB3 ARG 17 HB3 ARG 17 -23.363 -16.263 2.882 24 HG2 ARG 17 HG2 ARG 17 -24.834 -14.649 1.741 25 HG3 ARG 17 HG3 ARG 17 -25.850 -15.974 1.165 26 HD2 ARG 17 HD2 ARG 17 -26.221 -16.630 3.564 27 HD3 ARG 17 HD3 ARG 17 -25.319 -15.185 4.044 28 HE ARG 17 HE ARG 17 -27.414 -14.424 2.290 29 HH11 ARG 17 HH11 ARG 17 -26.914 -15.693 5.494 30 HH12 ARG 17 HH12 ARG 17 -27.986 -14.533 6.193 31 HH21 ARG 17 HH21 ARG 17 -29.163 -13.369 3.167 32 HH22 ARG 17 HH22 ARG 17 -29.696 -13.771 4.762 33 H ILE 18 H ILE 18 -21.380 -15.397 2.038 34 HA ILE 18 HA ILE 18 -21.730 -12.792 1.148 35 HB ILE 18 HB ILE 18 -19.279 -14.198 2.216 36 HG12 ILE 18 HG12 ILE 18 -21.182 -12.250 3.560 37 HG13 ILE 18 HG13 ILE 18 -21.370 -14.001 3.615 38 HG21 ILE 18 HG21 ILE 18 -18.151 -12.399 1.420 39 HG22 ILE 18 HG22 ILE 18 -18.862 -11.567 2.803 40 HG23 ILE 18 HG23 ILE 18 -19.600 -11.430 1.203 41 HD11 ILE 18 HD11 ILE 18 -20.088 -13.846 5.474 42 HD12 ILE 18 HD12 ILE 18 -19.448 -12.268 5.042 43 HD13 ILE 18 HD13 ILE 18 -18.749 -13.739 4.340 44 H ASP 19 H ASP 19 -19.638 -15.329 -0.122 45 HA ASP 19 HA ASP 19 -18.325 -13.777 -2.073 46 HB2 ASP 19 HB2 ASP 19 -18.745 -16.700 -1.621 47 HB3 ASP 19 HB3 ASP 19 -18.084 -16.174 -3.171 48 H ILE 20 H ILE 20 -21.229 -15.845 -2.333 49 HA ILE 20 HA ILE 20 -21.967 -15.115 -4.938 50 HB ILE 20 HB ILE 20 -23.648 -15.844 -2.530 51 HG12 ILE 20 HG12 ILE 20 -22.105 -17.585 -3.358 52 HG13 ILE 20 HG13 ILE 20 -23.788 -18.030 -3.612 53 HG21 ILE 20 HG21 ILE 20 -25.419 -16.348 -4.278 54 HG22 ILE 20 HG22 ILE 20 -24.449 -15.431 -5.424 55 HG23 ILE 20 HG23 ILE 20 -25.115 -14.642 -4.008 56 HD11 ILE 20 HD11 ILE 20 -22.877 -18.594 -5.664 57 HD12 ILE 20 HD12 ILE 20 -21.673 -17.303 -5.610 58 HD13 ILE 20 HD13 ILE 20 -23.359 -16.924 -6.000 59 H LEU 21 H LEU 21 -22.728 -13.544 -1.858 60 HA LEU 21 HA LEU 21 -24.388 -11.509 -2.864 61 HB2 LEU 21 HB2 LEU 21 -24.316 -12.071 -0.490 62 HB3 LEU 21 HB3 LEU 21 -22.653 -11.500 -0.381 63 HG LEU 21 HG LEU 21 -23.352 -9.212 -0.943 64 HD11 LEU 21 HD11 LEU 21 -25.153 -9.393 -2.424 65 HD12 LEU 21 HD12 LEU 21 -25.963 -8.890 -0.928 66 HD13 LEU 21 HD13 LEU 21 -26.008 -10.568 -1.409 67 HD21 LEU 21 HD21 LEU 21 -24.494 -8.732 1.104 68 HD22 LEU 21 HD22 LEU 21 -23.538 -10.164 1.425 69 HD23 LEU 21 HD23 LEU 21 -25.264 -10.316 1.140 70 H PHE 22 H PHE 22 -20.919 -11.718 -2.421 71 HA PHE 22 HA PHE 22 -20.159 -9.092 -2.856 72 HB2 PHE 22 HB2 PHE 22 -18.627 -10.829 -2.068 73 HB3 PHE 22 HB3 PHE 22 -18.743 -11.664 -3.607 74 HD1 PHE 22 HD1 PHE 22 -17.418 -8.620 -1.936 75 HD2 PHE 22 HD2 PHE 22 -17.502 -10.983 -5.508 76 HE1 PHE 22 HE1 PHE 22 -15.638 -7.194 -2.922 77 HE2 PHE 22 HE2 PHE 22 -15.717 -9.578 -6.482 78 HZ PHE 22 HZ PHE 22 -14.614 -7.853 -5.079 79 H SER 23 H SER 23 -20.686 -11.672 -5.238 80 HA SER 23 HA SER 23 -19.936 -10.219 -7.576 81 HB2 SER 23 HB2 SER 23 -20.080 -12.579 -7.781 82 HB3 SER 23 HB3 SER 23 -21.684 -12.628 -7.053 83 HG SER 23 HG SER 23 -21.849 -11.031 -9.141 84 H LEU 24 H LEU 24 -23.087 -10.807 -5.985 85 HA LEU 24 HA LEU 24 -24.643 -9.212 -7.672 86 HB2 LEU 24 HB2 LEU 24 -24.949 -9.848 -4.740 87 HB3 LEU 24 HB3 LEU 24 -26.162 -8.971 -5.663 88 HG LEU 24 HG LEU 24 -25.087 -11.694 -6.452 89 HD11 LEU 24 HD11 LEU 24 -27.343 -12.495 -5.564 90 HD12 LEU 24 HD12 LEU 24 -27.477 -10.929 -4.757 91 HD13 LEU 24 HD13 LEU 24 -26.163 -12.014 -4.338 92 HD21 LEU 24 HD21 LEU 24 -27.599 -11.499 -7.496 93 HD22 LEU 24 HD22 LEU 24 -26.122 -11.055 -8.368 94 HD23 LEU 24 HD23 LEU 24 -27.085 -9.814 -7.578 95 H ALA 25 H ALA 25 -22.931 -8.325 -4.691 96 HA ALA 25 HA ALA 25 -23.702 -5.646 -4.598 97 HB1 ALA 25 HB1 ALA 25 -21.608 -5.350 -3.226 98 HB2 ALA 25 HB2 ALA 25 -21.188 -7.021 -3.634 99 HB3 ALA 25 HB3 ALA 25 -22.632 -6.686 -2.700 100 H GLU 26 H GLU 26 -20.986 -7.196 -6.218 101 HA GLU 26 HA GLU 26 -19.739 -4.898 -7.142 102 HB2 GLU 26 HB2 GLU 26 -18.711 -7.133 -7.176 103 HB3 GLU 26 HB3 GLU 26 -19.801 -7.618 -8.480 104 HG2 GLU 26 HG2 GLU 26 -18.843 -5.865 -9.933 105 HG3 GLU 26 HG3 GLU 26 -17.781 -5.355 -8.624 106 H ARG 27 H ARG 27 -22.264 -6.839 -8.765 107 HA ARG 27 HA ARG 27 -22.325 -5.308 -11.139 108 HB2 ARG 27 HB2 ARG 27 -23.414 -7.517 -10.956 109 HB3 ARG 27 HB3 ARG 27 -24.615 -6.821 -9.857 110 HG2 ARG 27 HG2 ARG 27 -25.274 -5.204 -11.626 111 HG3 ARG 27 HG3 ARG 27 -24.095 -5.942 -12.720 112 HD2 ARG 27 HD2 ARG 27 -25.309 -8.120 -12.441 113 HD3 ARG 27 HD3 ARG 27 -26.527 -7.276 -11.485 114 HE ARG 27 HE ARG 27 -26.057 -6.973 -14.376 115 HH11 ARG 27 HH11 ARG 27 -27.749 -5.901 -11.505 116 HH12 ARG 27 HH12 ARG 27 -28.773 -4.851 -12.416 117 HH21 ARG 27 HH21 ARG 27 -27.833 -6.110 -15.478 118 HH22 ARG 27 HH22 ARG 27 -29.001 -5.176 -14.614 119 H VAL 28 H VAL 28 -24.317 -5.025 -8.193 120 HA VAL 28 HA VAL 28 -25.876 -2.866 -9.077 121 HB VAL 28 HB VAL 28 -26.503 -4.216 -7.178 122 HG11 VAL 28 HG11 VAL 28 -24.277 -2.848 -5.650 123 HG12 VAL 28 HG12 VAL 28 -24.223 -4.501 -6.259 124 HG13 VAL 28 HG13 VAL 28 -25.408 -4.061 -5.040 125 HG21 VAL 28 HG21 VAL 28 -27.518 -2.028 -7.327 126 HG22 VAL 28 HG22 VAL 28 -26.145 -1.284 -6.497 127 HG23 VAL 28 HG23 VAL 28 -27.194 -2.403 -5.633 128 H PHE 29 H PHE 29 -22.828 -3.019 -7.450 129 HA PHE 29 HA PHE 29 -22.482 -0.608 -6.414 130 HB2 PHE 29 HB2 PHE 29 -20.891 -2.258 -6.007 131 HB3 PHE 29 HB3 PHE 29 -20.557 -2.495 -7.717 132 HD1 PHE 29 HD1 PHE 29 -20.712 0.759 -5.912 133 HD2 PHE 29 HD2 PHE 29 -18.271 -2.496 -7.057 134 HE1 PHE 29 HE1 PHE 29 -18.701 2.186 -5.868 135 HE2 PHE 29 HE2 PHE 29 -16.267 -1.251 -6.398 136 HZ PHE 29 HZ PHE 29 -16.496 1.048 -5.509 137 HA PRO 30 HA PRO 30 -20.850 1.515 -10.528 138 HB2 PRO 30 HB2 PRO 30 -21.425 0.156 -12.833 139 HB3 PRO 30 HB3 PRO 30 -19.873 0.023 -11.986 140 HG2 PRO 30 HG2 PRO 30 -22.244 -1.810 -11.902 141 HG3 PRO 30 HG3 PRO 30 -20.524 -2.204 -12.033 142 HD2 PRO 30 HD2 PRO 30 -21.836 -2.359 -9.674 143 HD3 PRO 30 HD3 PRO 30 -20.135 -1.862 -9.747 144 H TYR 31 H TYR 31 -23.834 -0.403 -10.536 145 HA TYR 31 HA TYR 31 -25.232 1.390 -12.302 146 HB2 TYR 31 HB2 TYR 31 -26.207 -0.867 -10.582 147 HB3 TYR 31 HB3 TYR 31 -27.308 0.227 -11.413 148 HD1 TYR 31 HD1 TYR 31 -26.734 0.723 -13.915 149 HD2 TYR 31 HD2 TYR 31 -25.525 -2.816 -11.824 150 HE1 TYR 31 HE1 TYR 31 -26.321 -0.428 -16.068 151 HE2 TYR 31 HE2 TYR 31 -24.846 -3.852 -13.975 152 HH TYR 31 HH TYR 31 -24.907 -2.427 -16.828 153 H SER 32 H SER 32 -24.984 1.068 -8.802 154 HA SER 32 HA SER 32 -25.979 3.739 -8.393 155 HB2 SER 32 HB2 SER 32 -27.772 1.372 -8.000 156 HB3 SER 32 HB3 SER 32 -27.878 2.716 -6.861 157 HG SER 32 HG SER 32 -27.937 3.157 -9.636 158 HA PRO 33 HA PRO 33 -23.216 2.836 -4.859 159 HB2 PRO 33 HB2 PRO 33 -24.091 5.657 -4.315 160 HB3 PRO 33 HB3 PRO 33 -22.464 4.951 -4.255 161 HG2 PRO 33 HG2 PRO 33 -23.201 6.487 -6.290 162 HG3 PRO 33 HG3 PRO 33 -22.225 5.034 -6.565 163 HD2 PRO 33 HD2 PRO 33 -25.157 5.460 -7.053 164 HD3 PRO 33 HD3 PRO 33 -23.974 4.546 -8.014 165 H GLU 34 H GLU 34 -26.333 4.567 -4.649 166 HA GLU 34 HA GLU 34 -26.880 4.002 -1.984 167 HB2 GLU 34 HB2 GLU 34 -28.788 4.395 -4.295 168 HB3 GLU 34 HB3 GLU 34 -29.287 4.325 -2.603 169 HG2 GLU 34 HG2 GLU 34 -27.884 6.235 -2.057 170 HG3 GLU 34 HG3 GLU 34 -27.270 6.303 -3.708 171 H LEU 35 H LEU 35 -27.707 2.093 -4.855 172 HA LEU 35 HA LEU 35 -29.291 0.152 -3.458 173 HB2 LEU 35 HB2 LEU 35 -27.960 0.139 -6.169 174 HB3 LEU 35 HB3 LEU 35 -28.926 -1.206 -5.554 175 HG LEU 35 HG LEU 35 -29.970 1.626 -5.758 176 HD11 LEU 35 HD11 LEU 35 -29.519 -0.329 -7.836 177 HD12 LEU 35 HD12 LEU 35 -30.177 1.302 -7.974 178 HD13 LEU 35 HD13 LEU 35 -31.247 -0.045 -7.639 179 HD21 LEU 35 HD21 LEU 35 -32.158 0.192 -5.774 180 HD22 LEU 35 HD22 LEU 35 -31.352 0.526 -4.248 181 HD23 LEU 35 HD23 LEU 35 -31.137 -1.042 -5.040 182 H ALA 36 H ALA 36 -25.968 0.399 -4.438 183 HA ALA 36 HA ALA 36 -25.043 -2.162 -3.646 184 HB1 ALA 36 HB1 ALA 36 -23.261 0.243 -3.535 185 HB2 ALA 36 HB2 ALA 36 -23.944 -0.250 -5.083 186 HB3 ALA 36 HB3 ALA 36 -22.950 -1.387 -4.183 187 H LYS 37 H LYS 37 -25.455 0.892 -2.010 188 HA LYS 37 HA LYS 37 -24.048 0.471 0.357 189 HB2 LYS 37 HB2 LYS 37 -25.382 2.504 -0.656 190 HB3 LYS 37 HB3 LYS 37 -26.755 1.814 0.196 191 HG2 LYS 37 HG2 LYS 37 -24.193 2.696 1.535 192 HG3 LYS 37 HG3 LYS 37 -25.652 3.670 1.414 193 HD2 LYS 37 HD2 LYS 37 -26.915 1.950 2.669 194 HD3 LYS 37 HD3 LYS 37 -25.442 0.978 2.828 195 HE2 LYS 37 HE2 LYS 37 -24.364 2.831 4.039 196 HE3 LYS 37 HE3 LYS 37 -25.825 3.814 3.839 197 HZ1 LYS 37 HZ1 LYS 37 -25.266 2.001 5.878 198 HZ2 LYS 37 HZ2 LYS 37 -26.495 1.287 4.929 199 HZ3 LYS 37 HZ3 LYS 37 -26.719 2.835 5.610 200 H ARG 38 H ARG 38 -27.413 -0.367 -0.504 201 HA ARG 38 HA ARG 38 -28.074 -1.512 2.014 202 HB2 ARG 38 HB2 ARG 38 -29.258 -1.779 -0.740 203 HB3 ARG 38 HB3 ARG 38 -29.939 -2.597 0.662 204 HG2 ARG 38 HG2 ARG 38 -30.217 -0.458 1.818 205 HG3 ARG 38 HG3 ARG 38 -29.489 0.395 0.452 206 HD2 ARG 38 HD2 ARG 38 -31.324 -0.374 -1.001 207 HD3 ARG 38 HD3 ARG 38 -32.037 -1.250 0.362 208 HE ARG 38 HE ARG 38 -31.757 1.427 1.133 209 HH11 ARG 38 HH11 ARG 38 -33.768 -0.675 -0.761 210 HH12 ARG 38 HH12 ARG 38 -34.832 0.588 -1.244 211 HH21 ARG 38 HH21 ARG 38 -33.418 2.898 0.911 212 HH22 ARG 38 HH22 ARG 38 -34.944 2.285 0.396 213 H TYR 39 H TYR 39 -26.951 -2.965 -1.043 214 HA TYR 39 HA TYR 39 -27.117 -5.619 -0.187 215 HB2 TYR 39 HB2 TYR 39 -25.410 -4.363 -2.321 216 HB3 TYR 39 HB3 TYR 39 -25.461 -6.098 -2.020 217 HD1 TYR 39 HD1 TYR 39 -27.726 -7.258 -2.003 218 HD2 TYR 39 HD2 TYR 39 -27.041 -3.421 -3.795 219 HE1 TYR 39 HE1 TYR 39 -29.691 -7.583 -3.491 220 HE2 TYR 39 HE2 TYR 39 -29.324 -3.507 -4.803 221 HH TYR 39 HH TYR 39 -30.614 -5.519 -5.847 222 H VAL 40 H VAL 40 -24.293 -3.466 -0.118 223 HA VAL 40 HA VAL 40 -22.519 -5.336 1.036 224 HB VAL 40 HB VAL 40 -22.531 -2.327 1.036 225 HG11 VAL 40 HG11 VAL 40 -20.381 -4.242 2.034 226 HG12 VAL 40 HG12 VAL 40 -21.235 -3.016 2.983 227 HG13 VAL 40 HG13 VAL 40 -20.125 -2.522 1.723 228 HG21 VAL 40 HG21 VAL 40 -21.536 -4.442 -0.754 229 HG22 VAL 40 HG22 VAL 40 -20.372 -3.156 -0.409 230 HG23 VAL 40 HG23 VAL 40 -21.945 -2.766 -1.092 231 H GLU 41 H GLU 41 -24.820 -3.099 2.417 232 HA GLU 41 HA GLU 41 -23.701 -2.981 5.062 233 HB2 GLU 41 HB2 GLU 41 -25.266 -1.303 4.043 234 HB3 GLU 41 HB3 GLU 41 -26.546 -2.514 4.080 235 HG2 GLU 41 HG2 GLU 41 -26.253 -2.623 6.582 236 HG3 GLU 41 HG3 GLU 41 -25.064 -1.328 6.458 237 H LEU 42 H LEU 42 -26.292 -4.626 3.446 238 HA LEU 42 HA LEU 42 -27.091 -6.529 5.317 239 HB2 LEU 42 HB2 LEU 42 -28.288 -6.126 3.242 240 HB3 LEU 42 HB3 LEU 42 -26.888 -6.601 2.291 241 HG LEU 42 HG LEU 42 -27.104 -8.908 3.126 242 HD11 LEU 42 HD11 LEU 42 -28.089 -9.019 5.181 243 HD12 LEU 42 HD12 LEU 42 -29.570 -9.176 4.237 244 HD13 LEU 42 HD13 LEU 42 -29.108 -7.607 4.890 245 HD21 LEU 42 HD21 LEU 42 -29.430 -9.310 2.077 246 HD22 LEU 42 HD22 LEU 42 -28.196 -8.534 1.083 247 HD23 LEU 42 HD23 LEU 42 -29.466 -7.564 1.827 248 H ALA 43 H ALA 43 -24.469 -6.705 2.885 249 HA ALA 43 HA ALA 43 -23.607 -9.284 3.503 250 HB1 ALA 43 HB1 ALA 43 -21.863 -8.899 2.103 251 HB2 ALA 43 HB2 ALA 43 -21.480 -7.328 2.829 252 HB3 ALA 43 HB3 ALA 43 -22.805 -7.470 1.673 253 H LEU 44 H LEU 44 -22.627 -6.193 4.960 254 HA LEU 44 HA LEU 44 -20.707 -7.236 6.731 255 HB2 LEU 44 HB2 LEU 44 -22.397 -4.751 6.710 256 HB3 LEU 44 HB3 LEU 44 -21.427 -5.139 8.122 257 HG LEU 44 HG LEU 44 -20.552 -3.698 5.997 258 HD11 LEU 44 HD11 LEU 44 -18.210 -4.440 6.884 259 HD12 LEU 44 HD12 LEU 44 -19.141 -5.380 8.051 260 HD13 LEU 44 HD13 LEU 44 -19.312 -3.624 7.961 261 HD21 LEU 44 HD21 LEU 44 -19.283 -6.411 5.535 262 HD22 LEU 44 HD22 LEU 44 -19.081 -4.907 4.610 263 HD23 LEU 44 HD23 LEU 44 -20.598 -5.769 4.541 264 H LEU 45 H LEU 45 -24.194 -6.734 7.234 265 HA LEU 45 HA LEU 45 -24.328 -7.796 9.836 266 HB2 LEU 45 HB2 LEU 45 -26.320 -7.571 7.600 267 HB3 LEU 45 HB3 LEU 45 -26.721 -8.487 9.049 268 HG LEU 45 HG LEU 45 -26.155 -6.486 10.429 269 HD11 LEU 45 HD11 LEU 45 -24.642 -5.393 8.746 270 HD12 LEU 45 HD12 LEU 45 -25.868 -4.319 9.416 271 HD13 LEU 45 HD13 LEU 45 -26.086 -4.972 7.807 272 HD21 LEU 45 HD21 LEU 45 -28.314 -6.321 8.331 273 HD22 LEU 45 HD22 LEU 45 -28.167 -5.113 9.605 274 HD23 LEU 45 HD23 LEU 45 -28.456 -6.801 10.013 275 H VAL 46 H VAL 46 -24.600 -9.377 6.690 276 HA VAL 46 HA VAL 46 -24.986 -11.992 7.615 277 HB VAL 46 HB VAL 46 -23.661 -10.961 5.097 278 HG11 VAL 46 HG11 VAL 46 -24.019 -13.233 4.169 279 HG12 VAL 46 HG12 VAL 46 -24.523 -13.792 5.747 280 HG13 VAL 46 HG13 VAL 46 -22.852 -13.246 5.490 281 HG21 VAL 46 HG21 VAL 46 -25.747 -11.023 4.124 282 HG22 VAL 46 HG22 VAL 46 -26.223 -10.677 5.789 283 HG23 VAL 46 HG23 VAL 46 -26.317 -12.324 5.170 284 H GLN 47 H GLN 47 -21.957 -10.259 6.893 285 HA GLN 47 HA GLN 47 -20.245 -12.408 7.256 286 HB2 GLN 47 HB2 GLN 47 -19.630 -10.247 6.238 287 HB3 GLN 47 HB3 GLN 47 -19.710 -9.480 7.817 288 HG2 GLN 47 HG2 GLN 47 -17.891 -10.992 8.614 289 HG3 GLN 47 HG3 GLN 47 -17.805 -11.692 7.000 290 HE21 GLN 47 HE21 GLN 47 -15.813 -10.886 6.266 291 HE22 GLN 47 HE22 GLN 47 -15.566 -9.233 5.967 292 H GLN 48 H GLN 48 -21.191 -9.944 9.668 293 HA GLN 48 HA GLN 48 -19.639 -10.973 11.782 294 HB2 GLN 48 HB2 GLN 48 -21.040 -9.618 13.252 295 HB3 GLN 48 HB3 GLN 48 -20.610 -8.708 11.806 296 HG2 GLN 48 HG2 GLN 48 -22.827 -9.285 10.815 297 HG3 GLN 48 HG3 GLN 48 -23.245 -10.107 12.319 298 HE21 GLN 48 HE21 GLN 48 -25.047 -8.614 12.584 299 HE22 GLN 48 HE22 GLN 48 -24.719 -7.195 13.437 300 H LYS 49 H LYS 49 -22.963 -11.474 10.846 301 HA LYS 49 HA LYS 49 -23.802 -13.144 12.945 302 HB2 LYS 49 HB2 LYS 49 -25.236 -11.723 11.578 303 HB3 LYS 49 HB3 LYS 49 -24.879 -12.706 10.164 304 HG2 LYS 49 HG2 LYS 49 -26.055 -14.596 11.136 305 HG3 LYS 49 HG3 LYS 49 -26.318 -13.708 12.643 306 HD2 LYS 49 HD2 LYS 49 -27.570 -11.970 11.335 307 HD3 LYS 49 HD3 LYS 49 -27.339 -12.949 9.883 308 HE2 LYS 49 HE2 LYS 49 -28.714 -13.991 12.377 309 HE3 LYS 49 HE3 LYS 49 -29.590 -13.267 11.011 310 HZ1 LYS 49 HZ1 LYS 49 -29.445 -15.203 9.955 311 HZ2 LYS 49 HZ2 LYS 49 -28.580 -15.881 11.257 312 HZ3 LYS 49 HZ3 LYS 49 -27.752 -15.108 9.994 313 H ALA 50 H ALA 50 -22.761 -13.894 9.646 314 HA ALA 50 HA ALA 50 -22.738 -16.730 9.955 315 HB1 ALA 50 HB1 ALA 50 -21.155 -15.023 8.031 316 HB2 ALA 50 HB2 ALA 50 -22.800 -15.577 7.752 317 HB3 ALA 50 HB3 ALA 50 -21.486 -16.751 7.879 318 H LYS 51 H LYS 51 -20.767 -14.272 11.160 319 HA LYS 51 HA LYS 51 -18.721 -14.206 12.185 320 HB2 LYS 51 HB2 LYS 51 -20.275 -16.129 13.342 321 HB3 LYS 51 HB3 LYS 51 -18.813 -17.049 12.970 322 HG2 LYS 51 HG2 LYS 51 -17.425 -15.430 14.141 323 HG3 LYS 51 HG3 LYS 51 -18.810 -14.363 14.390 324 HD2 LYS 51 HD2 LYS 51 -19.897 -16.073 15.787 325 HD3 LYS 51 HD3 LYS 51 -18.538 -17.175 15.520 326 HE2 LYS 51 HE2 LYS 51 -17.019 -15.577 16.589 327 HE3 LYS 51 HE3 LYS 51 -18.354 -14.451 16.857 328 HZ1 LYS 51 HZ1 LYS 51 -18.201 -17.215 17.948 329 HZ2 LYS 51 HZ2 LYS 51 -19.431 -16.089 18.243 330 HZ3 LYS 51 HZ3 LYS 51 -17.863 -15.808 18.825 331 H VAL 52 H VAL 52 -18.199 -14.361 9.655 332 HA VAL 52 HA VAL 52 -16.104 -16.425 9.340 333 HB VAL 52 HB VAL 52 -16.490 -16.172 6.853 334 HG11 VAL 52 HG11 VAL 52 -17.287 -18.192 7.640 335 HG12 VAL 52 HG12 VAL 52 -18.770 -17.495 7.023 336 HG13 VAL 52 HG13 VAL 52 -18.439 -17.439 8.759 337 HG21 VAL 52 HG21 VAL 52 -17.899 -14.607 6.120 338 HG22 VAL 52 HG22 VAL 52 -18.310 -14.160 7.781 339 HG23 VAL 52 HG23 VAL 52 -19.225 -15.400 6.932 340 H LYS 53 H LYS 53 -14.117 -15.670 8.930 341 HA LYS 53 HA LYS 53 -13.801 -12.735 8.686 342 HB2 LYS 53 HB2 LYS 53 -11.899 -14.890 9.649 343 HB3 LYS 53 HB3 LYS 53 -11.455 -13.190 9.460 344 HG2 LYS 53 HG2 LYS 53 -13.203 -12.548 11.061 345 HG3 LYS 53 HG3 LYS 53 -13.682 -14.238 11.241 346 HD2 LYS 53 HD2 LYS 53 -11.419 -14.789 12.094 347 HD3 LYS 53 HD3 LYS 53 -10.954 -13.088 11.926 348 HE2 LYS 53 HE2 LYS 53 -12.719 -12.450 13.539 349 HE3 LYS 53 HE3 LYS 53 -13.143 -14.164 13.719 350 HZ1 LYS 53 HZ1 LYS 53 -11.033 -12.714 14.959 351 HZ2 LYS 53 HZ2 LYS 53 -10.407 -14.016 14.061 352 HZ3 LYS 53 HZ3 LYS 53 -11.575 -14.301 15.261 353 H ILE 54 H ILE 54 -12.726 -11.867 7.080 354 HA ILE 54 HA ILE 54 -11.353 -13.530 5.073 355 HB ILE 54 HB ILE 54 -12.594 -11.818 3.431 356 HG12 ILE 54 HG12 ILE 54 -14.511 -12.127 5.771 357 HG13 ILE 54 HG13 ILE 54 -13.893 -10.635 5.081 358 HG21 ILE 54 HG21 ILE 54 -14.173 -13.631 2.946 359 HG22 ILE 54 HG22 ILE 54 -13.820 -14.383 4.504 360 HG23 ILE 54 HG23 ILE 54 -12.557 -14.257 3.278 361 HD11 ILE 54 HD11 ILE 54 -15.022 -11.245 2.919 362 HD12 ILE 54 HD12 ILE 54 -16.128 -10.958 4.251 363 HD13 ILE 54 HD13 ILE 54 -15.767 -12.608 3.760 364 HA PRO 55 HA PRO 55 -8.622 -10.347 6.474 365 HB2 PRO 55 HB2 PRO 55 -6.876 -11.281 4.201 366 HB3 PRO 55 HB3 PRO 55 -6.480 -11.032 5.904 367 HG2 PRO 55 HG2 PRO 55 -6.895 -13.464 4.861 368 HG3 PRO 55 HG3 PRO 55 -7.263 -13.064 6.537 369 HD2 PRO 55 HD2 PRO 55 -9.130 -13.584 4.292 370 HD3 PRO 55 HD3 PRO 55 -9.428 -13.657 6.039 371 H ARG 56 H ARG 56 -9.064 -10.666 2.942 372 HA ARG 56 HA ARG 56 -9.014 -7.726 2.806 373 HB2 ARG 56 HB2 ARG 56 -7.975 -9.765 0.856 374 HB3 ARG 56 HB3 ARG 56 -8.097 -8.038 0.496 375 HG2 ARG 56 HG2 ARG 56 -6.670 -7.551 2.484 376 HG3 ARG 56 HG3 ARG 56 -6.550 -9.279 2.788 377 HD2 ARG 56 HD2 ARG 56 -5.626 -7.972 0.224 378 HD3 ARG 56 HD3 ARG 56 -4.576 -8.376 1.580 379 HE ARG 56 HE ARG 56 -5.799 -10.240 -0.293 380 HH11 ARG 56 HH11 ARG 56 -4.734 -9.973 3.003 381 HH12 ARG 56 HH12 ARG 56 -3.828 -11.440 2.942 382 HH21 ARG 56 HH21 ARG 56 -5.217 -12.362 -0.070 383 HH22 ARG 56 HH22 ARG 56 -4.442 -12.922 1.368 384 H LYS 57 H LYS 57 -11.133 -10.409 2.054 385 HA LYS 57 HA LYS 57 -11.877 -9.495 -0.524 386 HB2 LYS 57 HB2 LYS 57 -13.441 -11.258 1.350 387 HB3 LYS 57 HB3 LYS 57 -13.975 -10.850 -0.269 388 HG2 LYS 57 HG2 LYS 57 -11.933 -11.883 -1.194 389 HG3 LYS 57 HG3 LYS 57 -11.424 -12.334 0.434 390 HD2 LYS 57 HD2 LYS 57 -13.526 -13.617 0.744 391 HD3 LYS 57 HD3 LYS 57 -14.037 -13.155 -0.874 392 HE2 LYS 57 HE2 LYS 57 -12.157 -14.380 -1.850 393 HE3 LYS 57 HE3 LYS 57 -11.594 -14.808 -0.230 394 HZ1 LYS 57 HZ1 LYS 57 -14.372 -15.394 -0.644 395 HZ2 LYS 57 HZ2 LYS 57 -13.152 -16.423 -0.084 396 HZ3 LYS 57 HZ3 LYS 57 -13.387 -16.226 -1.754 397 H TRP 58 H TRP 58 -13.586 -8.977 2.590 398 HA TRP 58 HA TRP 58 -15.193 -6.973 1.125 399 HB2 TRP 58 HB2 TRP 58 -15.896 -8.914 3.185 400 HB3 TRP 58 HB3 TRP 58 -16.455 -7.281 3.574 401 HD1 TRP 58 HD1 TRP 58 -17.298 -10.236 1.526 402 HE1 TRP 58 HE1 TRP 58 -19.387 -9.661 0.087 403 HE3 TRP 58 HE3 TRP 58 -16.810 -5.212 1.419 404 HZ2 TRP 58 HZ2 TRP 58 -20.265 -7.310 -1.446 405 HZ3 TRP 58 HZ3 TRP 58 -17.868 -3.915 -0.405 406 HH2 TRP 58 HH2 TRP 58 -19.544 -4.980 -1.888 407 H LYS 59 H LYS 59 -13.131 -7.455 3.855 408 HA LYS 59 HA LYS 59 -13.634 -5.057 5.208 409 HB2 LYS 59 HB2 LYS 59 -11.248 -6.906 5.245 410 HB3 LYS 59 HB3 LYS 59 -11.396 -5.488 6.295 411 HG2 LYS 59 HG2 LYS 59 -13.530 -6.332 7.166 412 HG3 LYS 59 HG3 LYS 59 -13.444 -7.725 6.087 413 HD2 LYS 59 HD2 LYS 59 -11.369 -8.457 7.222 414 HD3 LYS 59 HD3 LYS 59 -11.451 -7.058 8.296 415 HE2 LYS 59 HE2 LYS 59 -13.628 -7.859 9.154 416 HE3 LYS 59 HE3 LYS 59 -13.541 -9.254 8.072 417 HZ1 LYS 59 HZ1 LYS 59 -12.767 -9.966 10.183 418 HZ2 LYS 59 HZ2 LYS 59 -11.755 -8.615 10.357 419 HZ3 LYS 59 HZ3 LYS 59 -11.391 -9.811 9.205 420 H ARG 60 H ARG 60 -11.458 -5.753 2.572 421 HA ARG 60 HA ARG 60 -10.209 -3.104 2.815 422 HB2 ARG 60 HB2 ARG 60 -9.461 -5.538 1.187 423 HB3 ARG 60 HB3 ARG 60 -8.596 -4.003 1.114 424 HG2 ARG 60 HG2 ARG 60 -9.013 -5.642 3.648 425 HG3 ARG 60 HG3 ARG 60 -7.550 -5.670 2.655 426 HD2 ARG 60 HD2 ARG 60 -7.234 -3.271 3.036 427 HD3 ARG 60 HD3 ARG 60 -8.677 -3.236 4.059 428 HE ARG 60 HE ARG 60 -7.529 -4.387 5.725 429 HH11 ARG 60 HH11 ARG 60 -5.751 -4.574 2.768 430 HH12 ARG 60 HH12 ARG 60 -4.211 -4.540 3.532 431 HH21 ARG 60 HH21 ARG 60 -5.564 -4.856 6.707 432 HH22 ARG 60 HH22 ARG 60 -4.242 -5.350 5.707 433 H ARG 61 H ARG 61 -12.864 -4.353 1.370 434 HA ARG 61 HA ARG 61 -12.492 -2.811 -1.114 435 HB2 ARG 61 HB2 ARG 61 -14.015 -5.361 -0.716 436 HB3 ARG 61 HB3 ARG 61 -14.241 -4.334 -2.133 437 HG2 ARG 61 HG2 ARG 61 -11.810 -4.489 -2.602 438 HG3 ARG 61 HG3 ARG 61 -11.610 -5.534 -1.187 439 HD2 ARG 61 HD2 ARG 61 -13.136 -7.190 -2.224 440 HD3 ARG 61 HD3 ARG 61 -13.298 -6.129 -3.627 441 HE ARG 61 HE ARG 61 -10.889 -7.630 -2.844 442 HH11 ARG 61 HH11 ARG 61 -11.926 -4.869 -4.594 443 HH12 ARG 61 HH12 ARG 61 -11.012 -5.233 -6.014 444 HH21 ARG 61 HH21 ARG 61 -9.367 -7.841 -4.520 445 HH22 ARG 61 HH22 ARG 61 -9.593 -6.968 -5.994 446 H TYR 62 H TYR 62 -13.746 -1.935 1.569 447 HA TYR 62 HA TYR 62 -16.245 -0.964 0.382 448 HB2 TYR 62 HB2 TYR 62 -17.699 -1.799 1.973 449 HB3 TYR 62 HB3 TYR 62 -16.577 -3.134 1.804 450 HD1 TYR 62 HD1 TYR 62 -14.450 -2.978 3.408 451 HD2 TYR 62 HD2 TYR 62 -18.419 -1.732 4.173 452 HE1 TYR 62 HE1 TYR 62 -13.830 -2.392 5.721 453 HE2 TYR 62 HE2 TYR 62 -17.923 -1.518 6.592 454 HH TYR 62 HH TYR 62 -15.303 -2.994 7.936 455 H CYS 63 H CYS 63 -17.190 0.832 1.501 456 HA CYS 63 HA CYS 63 -15.299 2.626 2.777 457 HB2 CYS 63 HB2 CYS 63 -16.928 3.628 1.264 458 HB3 CYS 63 HB3 CYS 63 -18.236 2.885 2.214 459 H LYS 64 H LYS 64 -15.083 2.981 4.885 460 HA LYS 64 HA LYS 64 -16.180 1.410 6.855 461 HB2 LYS 64 HB2 LYS 64 -14.190 2.912 7.050 462 HB3 LYS 64 HB3 LYS 64 -15.286 4.293 7.088 463 HG2 LYS 64 HG2 LYS 64 -16.333 3.460 9.145 464 HG3 LYS 64 HG3 LYS 64 -15.276 2.042 9.102 465 HD2 LYS 64 HD2 LYS 64 -13.300 3.496 9.285 466 HD3 LYS 64 HD3 LYS 64 -14.341 4.925 9.319 467 HE2 LYS 64 HE2 LYS 64 -15.421 4.056 11.367 468 HE3 LYS 64 HE3 LYS 64 -14.381 2.632 11.332 469 HZ1 LYS 64 HZ1 LYS 64 -13.204 5.334 11.313 470 HZ2 LYS 64 HZ2 LYS 64 -12.527 3.878 11.854 471 HZ3 LYS 64 HZ3 LYS 64 -13.724 4.658 12.773 472 H LYS 65 H LYS 65 -17.319 4.553 5.691 473 HA LYS 65 HA LYS 65 -19.551 4.436 7.532 474 HB2 LYS 65 HB2 LYS 65 -18.545 6.569 7.444 475 HB3 LYS 65 HB3 LYS 65 -18.778 6.678 5.699 476 HG2 LYS 65 HG2 LYS 65 -21.233 6.592 6.047 477 HG3 LYS 65 HG3 LYS 65 -20.999 6.403 7.785 478 HD2 LYS 65 HD2 LYS 65 -19.947 8.649 7.866 479 HD3 LYS 65 HD3 LYS 65 -20.212 8.825 6.131 480 HE2 LYS 65 HE2 LYS 65 -22.646 8.600 6.453 481 HE3 LYS 65 HE3 LYS 65 -22.385 8.409 8.186 482 HZ1 LYS 65 HZ1 LYS 65 -21.400 10.579 8.287 483 HZ2 LYS 65 HZ2 LYS 65 -22.929 10.712 7.545 484 HZ3 LYS 65 HZ3 LYS 65 -21.519 10.752 6.602 485 H CYS 66 H CYS 66 -19.127 3.832 4.011 486 HA CYS 66 HA CYS 66 -21.922 4.509 3.495 487 HB2 CYS 66 HB2 CYS 66 -19.901 3.092 1.751 488 HB3 CYS 66 HB3 CYS 66 -21.575 3.310 1.324 489 H HIS 67 H HIS 67 -19.932 1.867 4.417 490 HA HIS 67 HA HIS 67 -20.230 -0.416 4.514 491 HB2 HIS 67 HB2 HIS 67 -23.083 0.555 4.724 492 HB3 HIS 67 HB3 HIS 67 -22.620 -1.135 4.947 493 HD1 HIS 67 HD1 HIS 67 -21.852 2.317 6.358 494 HD2 HIS 67 HD2 HIS 67 -21.209 -1.660 7.347 495 HE1 HIS 67 HE1 HIS 67 -21.192 2.279 8.810 496 HE2 HIS 67 HE2 HIS 67 -20.681 -0.128 9.389 497 H ALA 68 H ALA 68 -19.731 0.709 2.124 498 HA ALA 68 HA ALA 68 -21.352 -0.751 0.139 499 HB1 ALA 68 HB1 ALA 68 -20.359 2.083 -0.174 500 HB2 ALA 68 HB2 ALA 68 -22.043 1.624 0.096 501 HB3 ALA 68 HB3 ALA 68 -21.242 1.141 -1.388 502 H PHE 69 H PHE 69 -20.172 -1.073 -1.906 503 HA PHE 69 HA PHE 69 -17.552 -2.107 -1.417 504 HB2 PHE 69 HB2 PHE 69 -19.394 -2.724 -3.224 505 HB3 PHE 69 HB3 PHE 69 -18.557 -1.500 -4.175 506 HD1 PHE 69 HD1 PHE 69 -15.870 -1.706 -4.081 507 HD2 PHE 69 HD2 PHE 69 -18.849 -4.724 -4.185 508 HE1 PHE 69 HE1 PHE 69 -14.188 -3.294 -4.946 509 HE2 PHE 69 HE2 PHE 69 -17.229 -6.299 -5.186 510 HZ PHE 69 HZ PHE 69 -14.899 -5.567 -5.591 511 H LEU 70 H LEU 70 -15.594 -1.135 -1.698 512 HA LEU 70 HA LEU 70 -15.638 1.731 -2.451 513 HB2 LEU 70 HB2 LEU 70 -14.941 0.898 -0.113 514 HB3 LEU 70 HB3 LEU 70 -13.498 0.269 -0.887 515 HG LEU 70 HG LEU 70 -13.109 2.455 0.144 516 HD11 LEU 70 HD11 LEU 70 -11.965 3.500 -1.630 517 HD12 LEU 70 HD12 LEU 70 -13.058 2.862 -2.846 518 HD13 LEU 70 HD13 LEU 70 -11.945 1.781 -1.993 519 HD21 LEU 70 HD21 LEU 70 -14.488 4.259 -0.102 520 HD22 LEU 70 HD22 LEU 70 -15.664 3.052 -0.628 521 HD23 LEU 70 HD23 LEU 70 -14.737 3.949 -1.832 522 H VAL 71 H VAL 71 -15.269 1.759 -4.500 523 HA VAL 71 HA VAL 71 -12.527 1.217 -5.364 524 HB VAL 71 HB VAL 71 -15.015 0.592 -6.976 525 HG11 VAL 71 HG11 VAL 71 -13.472 0.024 -8.820 526 HG12 VAL 71 HG12 VAL 71 -12.125 0.643 -7.890 527 HG13 VAL 71 HG13 VAL 71 -13.405 1.741 -8.428 528 HG21 VAL 71 HG21 VAL 71 -14.137 -1.655 -7.068 529 HG22 VAL 71 HG22 VAL 71 -14.156 -1.159 -5.378 530 HG23 VAL 71 HG23 VAL 71 -12.639 -1.160 -6.282 531 HA PRO 72 HA PRO 72 -13.210 5.605 -6.286 532 HB2 PRO 72 HB2 PRO 72 -10.916 5.392 -8.142 533 HB3 PRO 72 HB3 PRO 72 -11.151 6.453 -6.750 534 HG2 PRO 72 HG2 PRO 72 -9.445 4.364 -6.708 535 HG3 PRO 72 HG3 PRO 72 -10.312 4.921 -5.270 536 HD2 PRO 72 HD2 PRO 72 -10.849 2.545 -7.009 537 HD3 PRO 72 HD3 PRO 72 -11.030 2.707 -5.251 538 H GLY 73 H GLY 73 -14.415 6.580 -7.762 539 HA2 GLY 73 HA2 GLY 73 -14.847 7.322 -9.998 540 HA3 GLY 73 HA3 GLY 73 -14.400 5.728 -10.583 541 H ILE 74 H ILE 74 -16.208 4.888 -7.959 542 HA ILE 74 HA ILE 74 -18.521 4.613 -9.809 543 HB ILE 74 HB ILE 74 -17.485 2.618 -7.791 544 HG12 ILE 74 HG12 ILE 74 -17.807 2.360 -10.788 545 HG13 ILE 74 HG13 ILE 74 -16.297 2.847 -10.022 546 HG21 ILE 74 HG21 ILE 74 -19.826 2.372 -7.695 547 HG22 ILE 74 HG22 ILE 74 -19.371 1.242 -8.976 548 HG23 ILE 74 HG23 ILE 74 -20.020 2.819 -9.386 549 HD11 ILE 74 HD11 ILE 74 -17.530 0.392 -8.905 550 HD12 ILE 74 HD12 ILE 74 -15.840 0.758 -9.263 551 HD13 ILE 74 HD13 ILE 74 -16.935 0.245 -10.550 552 H ASN 75 H ASN 75 -18.075 3.866 -6.361 553 HA ASN 75 HA ASN 75 -20.512 5.396 -5.749 554 HB2 ASN 75 HB2 ASN 75 -20.553 4.244 -3.656 555 HB3 ASN 75 HB3 ASN 75 -20.334 3.056 -4.917 556 HD21 ASN 75 HD21 ASN 75 -17.299 4.228 -4.905 557 HD22 ASN 75 HD22 ASN 75 -16.676 3.013 -3.911 558 H ALA 76 H ALA 76 -17.398 5.941 -6.003 559 HA ALA 76 HA ALA 76 -17.179 8.087 -4.107 560 HB1 ALA 76 HB1 ALA 76 -15.531 7.149 -2.671 561 HB2 ALA 76 HB2 ALA 76 -15.248 5.782 -3.758 562 HB3 ALA 76 HB3 ALA 76 -16.721 5.872 -2.799 563 H ARG 77 H ARG 77 -15.336 9.345 -4.603 564 HA ARG 77 HA ARG 77 -13.749 8.465 -6.939 565 HB2 ARG 77 HB2 ARG 77 -15.630 10.093 -7.519 566 HB3 ARG 77 HB3 ARG 77 -14.760 11.283 -6.559 567 HG2 ARG 77 HG2 ARG 77 -12.780 11.006 -7.950 568 HG3 ARG 77 HG3 ARG 77 -13.560 9.730 -8.876 569 HD2 ARG 77 HD2 ARG 77 -15.262 11.366 -9.637 570 HD3 ARG 77 HD3 ARG 77 -14.464 12.623 -8.708 571 HE ARG 77 HE ARG 77 -12.706 12.648 -10.275 572 HH11 ARG 77 HH11 ARG 77 -14.823 9.930 -10.867 573 HH12 ARG 77 HH12 ARG 77 -14.664 10.093 -12.573 574 HH21 ARG 77 HH21 ARG 77 -11.845 12.074 -12.308 575 HH22 ARG 77 HH22 ARG 77 -12.463 10.703 -13.127 576 H VAL 78 H VAL 78 -11.667 9.153 -7.000 577 HA VAL 78 HA VAL 78 -10.633 10.377 -4.517 578 HB VAL 78 HB VAL 78 -10.344 7.833 -4.608 579 HG11 VAL 78 HG11 VAL 78 -8.890 6.864 -6.169 580 HG12 VAL 78 HG12 VAL 78 -8.137 8.394 -6.574 581 HG13 VAL 78 HG13 VAL 78 -9.763 8.023 -7.165 582 HG21 VAL 78 HG21 VAL 78 -7.648 9.130 -4.653 583 HG22 VAL 78 HG22 VAL 78 -8.317 7.936 -3.538 584 HG23 VAL 78 HG23 VAL 78 -8.810 9.622 -3.429 585 H ARG 79 H ARG 79 -9.196 11.908 -4.802 586 HA ARG 79 HA ARG 79 -8.089 12.306 -7.529 587 HB2 ARG 79 HB2 ARG 79 -9.662 14.167 -6.685 588 HB3 ARG 79 HB3 ARG 79 -8.407 14.516 -5.492 589 HG2 ARG 79 HG2 ARG 79 -6.751 14.827 -7.301 590 HG3 ARG 79 HG3 ARG 79 -7.995 14.464 -8.501 591 HD2 ARG 79 HD2 ARG 79 -7.811 16.841 -8.383 592 HD3 ARG 79 HD3 ARG 79 -9.329 16.394 -7.616 593 HE ARG 79 HE ARG 79 -8.462 17.007 -5.514 594 HH11 ARG 79 HH11 ARG 79 -5.877 16.713 -7.748 595 HH12 ARG 79 HH12 ARG 79 -4.957 18.019 -7.105 596 HH21 ARG 79 HH21 ARG 79 -7.378 19.301 -5.282 597 HH22 ARG 79 HH22 ARG 79 -5.688 18.987 -5.083 598 H LEU 80 H LEU 80 -5.970 12.298 -7.628 599 HA LEU 80 HA LEU 80 -4.518 11.704 -5.107 600 HB2 LEU 80 HB2 LEU 80 -3.657 11.313 -8.000 601 HB3 LEU 80 HB3 LEU 80 -2.861 10.658 -6.569 602 HG LEU 80 HG LEU 80 -5.257 9.590 -6.143 603 HD11 LEU 80 HD11 LEU 80 -6.727 9.866 -7.803 604 HD12 LEU 80 HD12 LEU 80 -5.622 9.063 -8.924 605 HD13 LEU 80 HD13 LEU 80 -5.545 10.805 -8.718 606 HD21 LEU 80 HD21 LEU 80 -4.399 7.786 -8.031 607 HD22 LEU 80 HD22 LEU 80 -3.791 7.876 -6.382 608 HD23 LEU 80 HD23 LEU 80 -2.913 8.666 -7.677 609 H ARG 81 H ARG 81 -3.241 13.201 -4.289 610 HA ARG 81 HA ARG 81 -2.775 15.652 -5.861 611 HB2 ARG 81 HB2 ARG 81 -2.861 15.187 -2.868 612 HB3 ARG 81 HB3 ARG 81 -2.436 16.715 -3.637 613 HG2 ARG 81 HG2 ARG 81 -4.606 16.837 -4.733 614 HG3 ARG 81 HG3 ARG 81 -5.061 15.273 -4.045 615 HD2 ARG 81 HD2 ARG 81 -4.889 16.205 -1.776 616 HD3 ARG 81 HD3 ARG 81 -4.382 17.763 -2.455 617 HE ARG 81 HE ARG 81 -6.903 17.024 -3.529 618 HH11 ARG 81 HH11 ARG 81 -5.351 18.386 -0.739 619 HH12 ARG 81 HH12 ARG 81 -6.829 19.001 -0.081 620 HH21 ARG 81 HH21 ARG 81 -8.839 17.751 -2.550 621 HH22 ARG 81 HH22 ARG 81 -8.699 18.974 -1.348 622 H GLN 82 H GLN 82 -0.802 16.424 -6.221 623 HA GLN 82 HA GLN 82 1.471 14.719 -5.436 624 HB2 GLN 82 HB2 GLN 82 0.881 16.181 -8.008 625 HB3 GLN 82 HB3 GLN 82 2.387 15.318 -7.691 626 HG2 GLN 82 HG2 GLN 82 -0.375 14.067 -7.698 627 HG3 GLN 82 HG3 GLN 82 0.807 13.938 -8.996 628 HE21 GLN 82 HE21 GLN 82 -0.334 12.097 -6.472 629 HE22 GLN 82 HE22 GLN 82 0.973 11.035 -6.558 630 H LYS 83 H LYS 83 1.250 16.277 -3.669 631 HA LYS 83 HA LYS 83 3.169 18.520 -3.956 632 HB2 LYS 83 HB2 LYS 83 1.411 17.596 -1.645 633 HB3 LYS 83 HB3 LYS 83 2.546 18.948 -1.575 634 HG2 LYS 83 HG2 LYS 83 1.330 20.100 -3.363 635 HG3 LYS 83 HG3 LYS 83 0.205 18.746 -3.494 636 HD2 LYS 83 HD2 LYS 83 -0.500 19.126 -1.147 637 HD3 LYS 83 HD3 LYS 83 0.613 20.493 -1.044 638 HE2 LYS 83 HE2 LYS 83 -0.605 21.635 -2.856 639 HE3 LYS 83 HE3 LYS 83 -1.719 20.262 -2.974 640 HZ1 LYS 83 HZ1 LYS 83 -2.199 22.365 -1.440 641 HZ2 LYS 83 HZ2 LYS 83 -1.326 21.416 -0.328 642 HZ3 LYS 83 HZ3 LYS 83 -2.736 20.796 -1.043 643 H ARG 84 H ARG 84 4.909 18.293 -1.985 644 HA ARG 84 HA ARG 84 5.882 15.476 -2.118 645 HB2 ARG 84 HB2 ARG 84 7.484 17.477 -2.402 646 HB3 ARG 84 HB3 ARG 84 7.053 17.925 -0.755 647 HG2 ARG 84 HG2 ARG 84 7.960 15.771 0.085 648 HG3 ARG 84 HG3 ARG 84 8.450 15.371 -1.564 649 HD2 ARG 84 HD2 ARG 84 9.320 17.867 -0.063 650 HD3 ARG 84 HD3 ARG 84 10.282 16.399 -0.166 651 HE ARG 84 HE ARG 84 9.662 17.140 -2.793 652 HH11 ARG 84 HH11 ARG 84 11.217 18.551 -0.063 653 HH12 ARG 84 HH12 ARG 84 12.447 19.325 -0.974 654 HH21 ARG 84 HH21 ARG 84 10.882 18.557 -3.974 655 HH22 ARG 84 HH22 ARG 84 12.108 19.514 -3.235 656 H MET 85 H MET 85 3.491 15.791 -1.089 657 HA MET 85 HA MET 85 4.077 14.267 1.313 658 HB2 MET 85 HB2 MET 85 3.193 16.472 2.138 659 HB3 MET 85 HB3 MET 85 1.792 16.289 1.087 660 HG2 MET 85 HG2 MET 85 1.536 13.985 2.410 661 HG3 MET 85 HG3 MET 85 2.442 14.878 3.638 662 HE1 MET 85 HE1 MET 85 1.513 17.917 3.567 663 HE2 MET 85 HE2 MET 85 1.837 16.740 4.856 664 HE3 MET 85 HE3 MET 85 0.330 17.650 4.835 665 HA PRO 86 HA PRO 86 1.579 12.171 -1.970 666 HB2 PRO 86 HB2 PRO 86 1.553 9.828 -0.139 667 HB3 PRO 86 HB3 PRO 86 2.009 9.893 -1.851 668 HG2 PRO 86 HG2 PRO 86 3.785 9.671 0.209 669 HG3 PRO 86 HG3 PRO 86 4.180 10.297 -1.396 670 HD2 PRO 86 HD2 PRO 86 4.002 11.727 1.167 671 HD3 PRO 86 HD3 PRO 86 4.699 12.272 -0.370 672 H HIS 87 H HIS 87 -0.646 12.380 -2.016 673 HA HIS 87 HA HIS 87 -2.270 11.613 0.294 674 HB2 HIS 87 HB2 HIS 87 -1.468 13.917 0.815 675 HB3 HIS 87 HB3 HIS 87 -2.232 14.490 -0.663 676 HD1 HIS 87 HD1 HIS 87 -3.521 12.066 2.041 677 HD2 HIS 87 HD2 HIS 87 -4.679 15.585 0.145 678 HE1 HIS 87 HE1 HIS 87 -5.086 13.427 3.619 679 HE2 HIS 87 HE2 HIS 87 -6.506 14.632 1.815 680 H ILE 88 H ILE 88 -4.310 11.163 -0.178 681 HA ILE 88 HA ILE 88 -5.377 11.768 -2.852 682 HB ILE 88 HB ILE 88 -6.372 9.537 -2.966 683 HG12 ILE 88 HG12 ILE 88 -4.759 8.905 -0.458 684 HG13 ILE 88 HG13 ILE 88 -6.500 9.167 -0.464 685 HG21 ILE 88 HG21 ILE 88 -3.423 9.294 -2.338 686 HG22 ILE 88 HG22 ILE 88 -4.035 10.046 -3.804 687 HG23 ILE 88 HG23 ILE 88 -4.360 8.346 -3.482 688 HD11 ILE 88 HD11 ILE 88 -6.303 7.303 -2.437 689 HD12 ILE 88 HD12 ILE 88 -6.596 6.921 -0.742 690 HD13 ILE 88 HD13 ILE 88 -4.969 6.819 -1.383 691 H VAL 89 H VAL 89 -7.511 12.387 -2.850 692 HA VAL 89 HA VAL 89 -8.854 12.448 -0.214 693 HB VAL 89 HB VAL 89 -10.205 14.307 -1.293 694 HG11 VAL 89 HG11 VAL 89 -8.221 14.578 0.283 695 HG12 VAL 89 HG12 VAL 89 -8.575 15.957 -0.754 696 HG13 VAL 89 HG13 VAL 89 -7.243 14.882 -1.139 697 HG21 VAL 89 HG21 VAL 89 -7.963 14.758 -3.198 698 HG22 VAL 89 HG22 VAL 89 -9.680 15.139 -3.361 699 HG23 VAL 89 HG23 VAL 89 -9.119 13.491 -3.643 700 H VAL 90 H VAL 90 -10.747 11.494 0.061 701 HA VAL 90 HA VAL 90 -11.914 10.039 -2.244 702 HB VAL 90 HB VAL 90 -11.327 9.082 0.579 703 HG11 VAL 90 HG11 VAL 90 -12.428 6.934 -0.224 704 HG12 VAL 90 HG12 VAL 90 -13.085 7.864 -1.560 705 HG13 VAL 90 HG13 VAL 90 -13.527 8.288 0.093 706 HG21 VAL 90 HG21 VAL 90 -10.301 7.175 -0.900 707 HG22 VAL 90 HG22 VAL 90 -9.415 8.691 -0.677 708 HG23 VAL 90 HG23 VAL 90 -10.311 8.406 -2.165 709 H LYS 91 H LYS 91 -14.030 10.282 -2.434 710 HA LYS 91 HA LYS 91 -15.640 11.026 -0.110 711 HB2 LYS 91 HB2 LYS 91 -17.034 12.473 -1.736 712 HB3 LYS 91 HB3 LYS 91 -15.610 13.157 -0.970 713 HG2 LYS 91 HG2 LYS 91 -15.672 12.046 -3.773 714 HG3 LYS 91 HG3 LYS 91 -15.864 13.749 -3.375 715 HD2 LYS 91 HD2 LYS 91 -13.597 13.750 -2.392 716 HD3 LYS 91 HD3 LYS 91 -13.378 12.063 -2.835 717 HE2 LYS 91 HE2 LYS 91 -13.665 12.647 -5.210 718 HE3 LYS 91 HE3 LYS 91 -13.859 14.341 -4.757 719 HZ1 LYS 91 HZ1 LYS 91 -11.529 13.525 -5.401 720 HZ2 LYS 91 HZ2 LYS 91 -11.515 12.786 -3.872 721 HZ3 LYS 91 HZ3 LYS 91 -11.679 14.480 -4.007 722 H CYS 92 H CYS 92 -17.612 10.029 -0.077 723 HA CYS 92 HA CYS 92 -18.242 8.265 -2.368 724 HB2 CYS 92 HB2 CYS 92 -19.428 7.053 -0.196 725 HB3 CYS 92 HB3 CYS 92 -17.945 6.526 -0.980 726 H LEU 93 H LEU 93 -20.285 8.224 -3.046 727 HA LEU 93 HA LEU 93 -21.906 10.520 -2.608 728 HB2 LEU 93 HB2 LEU 93 -22.282 7.951 -4.160 729 HB3 LEU 93 HB3 LEU 93 -23.466 9.260 -4.172 730 HG LEU 93 HG LEU 93 -20.538 9.696 -4.824 731 HD11 LEU 93 HD11 LEU 93 -21.737 8.111 -6.458 732 HD12 LEU 93 HD12 LEU 93 -20.979 9.543 -7.137 733 HD13 LEU 93 HD13 LEU 93 -22.725 9.507 -6.892 734 HD21 LEU 93 HD21 LEU 93 -22.708 11.429 -4.315 735 HD22 LEU 93 HD22 LEU 93 -22.472 11.465 -6.059 736 HD23 LEU 93 HD23 LEU 93 -21.140 11.871 -4.974 737 H GLU 94 H GLU 94 -22.092 7.176 -1.649 738 HA GLU 94 HA GLU 94 -24.679 7.238 -0.499 739 HB2 GLU 94 HB2 GLU 94 -22.707 5.340 0.633 740 HB3 GLU 94 HB3 GLU 94 -24.339 5.060 0.055 741 HG2 GLU 94 HG2 GLU 94 -23.120 3.916 -1.519 742 HG3 GLU 94 HG3 GLU 94 -23.321 5.470 -2.314 743 H CYS 95 H CYS 95 -21.437 7.861 0.829 744 HA CYS 95 HA CYS 95 -22.370 8.430 3.519 745 HB2 CYS 95 HB2 CYS 95 -19.840 8.805 1.965 746 HB3 CYS 95 HB3 CYS 95 -20.091 9.822 3.378 747 H GLY 96 H GLY 96 -21.741 10.134 0.555 748 HA2 GLY 96 HA2 GLY 96 -22.299 12.264 -0.174 749 HA3 GLY 96 HA3 GLY 96 -23.131 12.575 1.342 750 H HIS 97 H HIS 97 -19.935 11.308 1.683 751 HA HIS 97 HA HIS 97 -19.092 13.943 2.653 752 HB2 HIS 97 HB2 HIS 97 -19.115 11.401 4.277 753 HB3 HIS 97 HB3 HIS 97 -18.087 12.772 4.683 754 HD1 HIS 97 HD1 HIS 97 -21.764 11.929 4.146 755 HD2 HIS 97 HD2 HIS 97 -19.412 14.830 6.038 756 HE1 HIS 97 HE1 HIS 97 -23.265 13.145 5.810 757 HE2 HIS 97 HE2 HIS 97 -21.956 15.203 6.504 758 H ILE 98 H ILE 98 -16.860 14.282 2.931 759 HA ILE 98 HA ILE 98 -15.212 12.604 1.144 760 HB ILE 98 HB ILE 98 -15.451 14.939 0.374 761 HG12 ILE 98 HG12 ILE 98 -12.654 14.369 1.378 762 HG13 ILE 98 HG13 ILE 98 -13.390 13.551 -0.003 763 HG21 ILE 98 HG21 ILE 98 -15.548 15.680 2.915 764 HG22 ILE 98 HG22 ILE 98 -14.956 16.781 1.669 765 HG23 ILE 98 HG23 ILE 98 -13.818 15.886 2.686 766 HD11 ILE 98 HD11 ILE 98 -13.374 15.487 -1.313 767 HD12 ILE 98 HD12 ILE 98 -11.883 15.656 -0.374 768 HD13 ILE 98 HD13 ILE 98 -13.330 16.553 0.083 769 H MET 99 H MET 99 -13.451 11.707 1.824 770 HA MET 99 HA MET 99 -12.374 12.317 4.520 771 HB2 MET 99 HB2 MET 99 -12.471 9.748 2.922 772 HB3 MET 99 HB3 MET 99 -11.543 9.925 4.415 773 HG2 MET 99 HG2 MET 99 -13.609 10.496 5.626 774 HG3 MET 99 HG3 MET 99 -14.533 10.399 4.133 775 HE1 MET 99 HE1 MET 99 -11.552 7.805 5.310 776 HE2 MET 99 HE2 MET 99 -12.580 7.034 6.514 777 HE3 MET 99 HE3 MET 99 -12.271 8.769 6.602 778 H ARG 100 H ARG 100 -10.242 12.586 4.743 779 HA ARG 100 HA ARG 100 -8.568 12.743 2.300 780 HB2 ARG 100 HB2 ARG 100 -8.324 14.036 5.042 781 HB3 ARG 100 HB3 ARG 100 -7.095 14.150 3.778 782 HG2 ARG 100 HG2 ARG 100 -8.694 15.223 2.273 783 HG3 ARG 100 HG3 ARG 100 -9.977 15.064 3.470 784 HD2 ARG 100 HD2 ARG 100 -8.700 16.535 5.004 785 HD3 ARG 100 HD3 ARG 100 -7.424 16.675 3.797 786 HE ARG 100 HE ARG 100 -10.006 17.381 2.740 787 HH11 ARG 100 HH11 ARG 100 -7.271 18.550 4.553 788 HH12 ARG 100 HH12 ARG 100 -7.273 20.035 3.654 789 HH21 ARG 100 HH21 ARG 100 -10.318 19.541 2.200 790 HH22 ARG 100 HH22 ARG 100 -9.381 20.773 2.971 791 H TYR 101 H TYR 101 -6.877 11.382 2.100 792 HA TYR 101 HA TYR 101 -6.087 9.751 4.441 793 HB2 TYR 101 HB2 TYR 101 -7.213 8.888 2.008 794 HB3 TYR 101 HB3 TYR 101 -5.504 8.479 1.908 795 HD1 TYR 101 HD1 TYR 101 -4.502 7.549 4.244 796 HD2 TYR 101 HD2 TYR 101 -8.601 7.288 2.987 797 HE1 TYR 101 HE1 TYR 101 -5.004 5.973 6.110 798 HE2 TYR 101 HE2 TYR 101 -8.868 5.241 4.370 799 HH TYR 101 HH TYR 101 -6.726 3.681 5.840 800 HA PRO 102 HA PRO 102 -2.079 11.725 3.261 801 HB2 PRO 102 HB2 PRO 102 -1.393 10.716 5.961 802 HB3 PRO 102 HB3 PRO 102 -1.191 12.342 5.289 803 HG2 PRO 102 HG2 PRO 102 -3.041 11.807 7.138 804 HG3 PRO 102 HG3 PRO 102 -3.354 12.960 5.825 805 HD2 PRO 102 HD2 PRO 102 -4.260 10.092 6.067 806 HD3 PRO 102 HD3 PRO 102 -5.179 11.517 5.524 807 H TYR 103 H TYR 103 -0.472 10.623 2.317 808 HA TYR 103 HA TYR 103 0.328 8.041 3.446 809 HB2 TYR 103 HB2 TYR 103 0.041 8.679 0.530 810 HB3 TYR 103 HB3 TYR 103 1.044 7.358 1.101 811 HD1 TYR 103 HD1 TYR 103 0.054 5.480 2.300 812 HD2 TYR 103 HD2 TYR 103 -2.433 8.638 0.832 813 HE1 TYR 103 HE1 TYR 103 -1.901 3.955 2.345 814 HE2 TYR 103 HE2 TYR 103 -4.362 7.058 0.720 815 HH TYR 103 HH TYR 103 -4.865 5.106 2.749 816 H ILE 104 H ILE 104 2.359 7.620 3.662 817 HA ILE 104 HA ILE 104 4.354 9.685 2.913 818 HB ILE 104 HB ILE 104 4.263 8.033 5.452 819 HG12 ILE 104 HG12 ILE 104 4.167 11.032 5.102 820 HG13 ILE 104 HG13 ILE 104 2.717 10.037 5.280 821 HG21 ILE 104 HG21 ILE 104 6.289 10.055 4.465 822 HG22 ILE 104 HG22 ILE 104 6.556 8.311 4.630 823 HG23 ILE 104 HG23 ILE 104 6.293 9.292 6.055 824 HD11 ILE 104 HD11 ILE 104 3.320 9.374 7.484 825 HD12 ILE 104 HD12 ILE 104 3.613 11.116 7.418 826 HD13 ILE 104 HD13 ILE 104 4.963 9.989 7.314 827 H LYS 105 H LYS 105 6.065 8.971 1.865 828 HA LYS 105 HA LYS 105 6.235 6.777 0.326 829 HB2 LYS 105 HB2 LYS 105 8.464 8.180 1.794 830 HB3 LYS 105 HB3 LYS 105 8.734 7.018 0.495 831 HG2 LYS 105 HG2 LYS 105 7.435 8.429 -1.063 832 HG3 LYS 105 HG3 LYS 105 7.155 9.601 0.239 833 HD2 LYS 105 HD2 LYS 105 9.592 9.934 0.455 834 HD3 LYS 105 HD3 LYS 105 9.869 8.773 -0.851 835 HE2 LYS 105 HE2 LYS 105 8.624 10.224 -2.407 836 HE3 LYS 105 HE3 LYS 105 8.331 11.386 -1.107 837 HZ1 LYS 105 HZ1 LYS 105 11.079 10.528 -1.722 838 HZ2 LYS 105 HZ2 LYS 105 10.540 11.971 -0.997 839 HZ3 LYS 105 HZ3 LYS 105 10.349 11.730 -2.669 Start of MODEL 14 1 H LYS 15 H LYS 15 -18.936 -19.436 2.931 2 HA LYS 15 HA LYS 15 -17.145 -17.252 2.892 3 HB2 LYS 15 HB2 LYS 15 -16.030 -19.979 2.181 4 HB3 LYS 15 HB3 LYS 15 -15.331 -18.462 1.617 5 HG2 LYS 15 HG2 LYS 15 -15.016 -17.740 3.952 6 HG3 LYS 15 HG3 LYS 15 -15.722 -19.253 4.525 7 HD2 LYS 15 HD2 LYS 15 -13.910 -20.512 3.397 8 HD3 LYS 15 HD3 LYS 15 -13.207 -18.994 2.842 9 HE2 LYS 15 HE2 LYS 15 -12.888 -18.270 5.175 10 HE3 LYS 15 HE3 LYS 15 -13.594 -19.785 5.746 11 HZ1 LYS 15 HZ1 LYS 15 -11.023 -19.513 5.470 12 HZ2 LYS 15 HZ2 LYS 15 -11.374 -19.924 3.856 13 HZ3 LYS 15 HZ3 LYS 15 -11.789 -20.985 5.121 14 H GLU 16 H GLU 16 -18.106 -20.170 1.060 15 HA GLU 16 HA GLU 16 -18.273 -18.919 -1.404 16 HB2 GLU 16 HB2 GLU 16 -18.204 -21.350 -1.071 17 HB3 GLU 16 HB3 GLU 16 -19.842 -21.315 -0.422 18 HG2 GLU 16 HG2 GLU 16 -20.686 -20.459 -2.560 19 HG3 GLU 16 HG3 GLU 16 -19.051 -20.413 -3.207 20 H ARG 17 H ARG 17 -20.827 -19.383 1.027 21 HA ARG 17 HA ARG 17 -22.988 -18.418 -0.396 22 HB2 ARG 17 HB2 ARG 17 -22.295 -18.232 2.555 23 HB3 ARG 17 HB3 ARG 17 -23.869 -17.782 1.915 24 HG2 ARG 17 HG2 ARG 17 -24.208 -20.057 1.081 25 HG3 ARG 17 HG3 ARG 17 -22.583 -20.513 1.590 26 HD2 ARG 17 HD2 ARG 17 -24.218 -21.244 3.267 27 HD3 ARG 17 HD3 ARG 17 -23.206 -19.967 3.943 28 HE ARG 17 HE ARG 17 -25.030 -18.489 3.838 29 HH11 ARG 17 HH11 ARG 17 -25.748 -21.405 2.132 30 HH12 ARG 17 HH12 ARG 17 -27.441 -21.348 2.456 31 HH21 ARG 17 HH21 ARG 17 -27.282 -18.141 3.814 32 HH22 ARG 17 HH22 ARG 17 -28.332 -19.440 3.370 33 H ILE 18 H ILE 18 -20.817 -16.621 1.750 34 HA ILE 18 HA ILE 18 -21.959 -14.120 1.205 35 HB ILE 18 HB ILE 18 -20.739 -14.566 3.253 36 HG12 ILE 18 HG12 ILE 18 -19.458 -12.285 1.764 37 HG13 ILE 18 HG13 ILE 18 -21.145 -12.255 2.270 38 HG21 ILE 18 HG21 ILE 18 -18.290 -14.535 1.478 39 HG22 ILE 18 HG22 ILE 18 -18.840 -15.838 2.538 40 HG23 ILE 18 HG23 ILE 18 -18.239 -14.332 3.228 41 HD11 ILE 18 HD11 ILE 18 -20.473 -11.523 4.274 42 HD12 ILE 18 HD12 ILE 18 -18.774 -11.725 3.839 43 HD13 ILE 18 HD13 ILE 18 -19.669 -13.067 4.542 44 H ASP 19 H ASP 19 -19.306 -15.827 -0.300 45 HA ASP 19 HA ASP 19 -18.228 -13.706 -1.753 46 HB2 ASP 19 HB2 ASP 19 -18.204 -16.701 -2.048 47 HB3 ASP 19 HB3 ASP 19 -17.528 -15.720 -3.324 48 H ILE 20 H ILE 20 -20.809 -15.986 -2.590 49 HA ILE 20 HA ILE 20 -21.409 -15.034 -5.137 50 HB ILE 20 HB ILE 20 -23.193 -16.155 -2.974 51 HG12 ILE 20 HG12 ILE 20 -22.176 -17.461 -5.519 52 HG13 ILE 20 HG13 ILE 20 -21.337 -17.590 -3.978 53 HG21 ILE 20 HG21 ILE 20 -23.754 -15.151 -5.724 54 HG22 ILE 20 HG22 ILE 20 -24.798 -15.172 -4.296 55 HG23 ILE 20 HG23 ILE 20 -24.553 -16.645 -5.246 56 HD11 ILE 20 HD11 ILE 20 -23.091 -19.424 -4.707 57 HD12 ILE 20 HD12 ILE 20 -24.265 -18.250 -4.112 58 HD13 ILE 20 HD13 ILE 20 -23.037 -18.894 -3.026 59 H LEU 21 H LEU 21 -22.537 -13.974 -1.975 60 HA LEU 21 HA LEU 21 -24.249 -11.922 -2.800 61 HB2 LEU 21 HB2 LEU 21 -24.336 -12.869 -0.553 62 HB3 LEU 21 HB3 LEU 21 -22.766 -12.163 -0.174 63 HG LEU 21 HG LEU 21 -23.668 -9.908 -0.488 64 HD11 LEU 21 HD11 LEU 21 -25.334 -10.109 -2.165 65 HD12 LEU 21 HD12 LEU 21 -26.253 -9.788 -0.708 66 HD13 LEU 21 HD13 LEU 21 -26.140 -11.439 -1.328 67 HD21 LEU 21 HD21 LEU 21 -25.541 -11.569 1.222 68 HD22 LEU 21 HD22 LEU 21 -25.153 -9.867 1.440 69 HD23 LEU 21 HD23 LEU 21 -23.915 -11.097 1.719 70 H PHE 22 H PHE 22 -20.818 -11.886 -1.965 71 HA PHE 22 HA PHE 22 -20.243 -9.200 -2.334 72 HB2 PHE 22 HB2 PHE 22 -18.598 -10.682 -1.410 73 HB3 PHE 22 HB3 PHE 22 -18.582 -11.669 -2.865 74 HD1 PHE 22 HD1 PHE 22 -18.458 -7.919 -2.490 75 HD2 PHE 22 HD2 PHE 22 -16.691 -11.489 -4.076 76 HE1 PHE 22 HE1 PHE 22 -17.429 -6.755 -4.428 77 HE2 PHE 22 HE2 PHE 22 -14.906 -10.111 -5.112 78 HZ PHE 22 HZ PHE 22 -15.337 -7.678 -5.425 79 H SER 23 H SER 23 -20.376 -11.804 -4.769 80 HA SER 23 HA SER 23 -19.677 -10.245 -7.004 81 HB2 SER 23 HB2 SER 23 -20.007 -12.796 -6.880 82 HB3 SER 23 HB3 SER 23 -21.721 -12.460 -7.118 83 HG SER 23 HG SER 23 -21.188 -11.369 -9.030 84 H LEU 24 H LEU 24 -22.816 -10.779 -5.403 85 HA LEU 24 HA LEU 24 -24.447 -9.418 -7.292 86 HB2 LEU 24 HB2 LEU 24 -24.747 -9.800 -4.299 87 HB3 LEU 24 HB3 LEU 24 -25.987 -9.092 -5.322 88 HG LEU 24 HG LEU 24 -24.830 -11.853 -5.775 89 HD11 LEU 24 HD11 LEU 24 -26.729 -10.898 -3.799 90 HD12 LEU 24 HD12 LEU 24 -26.067 -12.519 -4.016 91 HD13 LEU 24 HD13 LEU 24 -27.502 -12.030 -4.907 92 HD21 LEU 24 HD21 LEU 24 -25.922 -11.662 -7.724 93 HD22 LEU 24 HD22 LEU 24 -26.633 -10.114 -7.259 94 HD23 LEU 24 HD23 LEU 24 -27.431 -11.616 -6.813 95 H ALA 25 H ALA 25 -22.782 -8.323 -4.320 96 HA ALA 25 HA ALA 25 -23.617 -5.649 -4.431 97 HB1 ALA 25 HB1 ALA 25 -22.574 -6.425 -2.429 98 HB2 ALA 25 HB2 ALA 25 -21.485 -5.212 -3.115 99 HB3 ALA 25 HB3 ALA 25 -21.121 -6.923 -3.297 100 H GLU 26 H GLU 26 -20.832 -7.266 -5.924 101 HA GLU 26 HA GLU 26 -19.559 -4.954 -6.791 102 HB2 GLU 26 HB2 GLU 26 -18.520 -7.189 -6.672 103 HB3 GLU 26 HB3 GLU 26 -19.487 -7.700 -8.050 104 HG2 GLU 26 HG2 GLU 26 -18.428 -6.026 -9.473 105 HG3 GLU 26 HG3 GLU 26 -17.493 -5.418 -8.109 106 H ARG 27 H ARG 27 -22.010 -6.904 -8.573 107 HA ARG 27 HA ARG 27 -21.773 -5.372 -10.978 108 HB2 ARG 27 HB2 ARG 27 -24.056 -7.018 -9.877 109 HB3 ARG 27 HB3 ARG 27 -24.108 -6.215 -11.439 110 HG2 ARG 27 HG2 ARG 27 -22.125 -7.502 -12.177 111 HG3 ARG 27 HG3 ARG 27 -22.082 -8.318 -10.615 112 HD2 ARG 27 HD2 ARG 27 -24.476 -8.348 -12.476 113 HD3 ARG 27 HD3 ARG 27 -23.264 -9.622 -12.410 114 HE ARG 27 HE ARG 27 -24.222 -9.228 -9.810 115 HH11 ARG 27 HH11 ARG 27 -25.528 -10.067 -12.917 116 HH12 ARG 27 HH12 ARG 27 -26.553 -11.319 -12.301 117 HH21 ARG 27 HH21 ARG 27 -25.982 -10.471 -9.010 118 HH22 ARG 27 HH22 ARG 27 -27.102 -11.140 -10.145 119 H VAL 28 H VAL 28 -24.028 -5.109 -8.209 120 HA VAL 28 HA VAL 28 -25.486 -2.935 -9.255 121 HB VAL 28 HB VAL 28 -26.316 -4.360 -7.425 122 HG11 VAL 28 HG11 VAL 28 -24.188 -4.612 -6.209 123 HG12 VAL 28 HG12 VAL 28 -25.489 -4.079 -5.155 124 HG13 VAL 28 HG13 VAL 28 -24.274 -2.923 -5.705 125 HG21 VAL 28 HG21 VAL 28 -26.331 -1.437 -7.464 126 HG22 VAL 28 HG22 VAL 28 -26.611 -2.077 -5.851 127 HG23 VAL 28 HG23 VAL 28 -27.650 -2.574 -7.188 128 H PHE 29 H PHE 29 -22.561 -3.163 -7.381 129 HA PHE 29 HA PHE 29 -22.293 -0.731 -6.296 130 HB2 PHE 29 HB2 PHE 29 -20.716 -2.353 -5.768 131 HB3 PHE 29 HB3 PHE 29 -20.303 -2.642 -7.454 132 HD1 PHE 29 HD1 PHE 29 -20.371 0.192 -5.022 133 HD2 PHE 29 HD2 PHE 29 -18.157 -1.925 -8.031 134 HE1 PHE 29 HE1 PHE 29 -18.418 1.641 -4.646 135 HE2 PHE 29 HE2 PHE 29 -16.183 -0.509 -7.559 136 HZ PHE 29 HZ PHE 29 -16.286 1.194 -5.761 137 HA PRO 30 HA PRO 30 -20.374 1.406 -10.221 138 HB2 PRO 30 HB2 PRO 30 -20.682 0.090 -12.594 139 HB3 PRO 30 HB3 PRO 30 -19.226 -0.029 -11.589 140 HG2 PRO 30 HG2 PRO 30 -21.481 -1.946 -11.870 141 HG3 PRO 30 HG3 PRO 30 -19.744 -2.261 -11.712 142 HD2 PRO 30 HD2 PRO 30 -21.558 -2.459 -9.629 143 HD3 PRO 30 HD3 PRO 30 -19.826 -2.138 -9.417 144 H TYR 31 H TYR 31 -23.252 -0.603 -10.426 145 HA TYR 31 HA TYR 31 -24.558 0.839 -12.520 146 HB2 TYR 31 HB2 TYR 31 -25.228 -1.422 -12.049 147 HB3 TYR 31 HB3 TYR 31 -25.663 -1.008 -10.397 148 HD1 TYR 31 HD1 TYR 31 -26.426 -0.058 -13.939 149 HD2 TYR 31 HD2 TYR 31 -27.873 -0.373 -9.911 150 HE1 TYR 31 HE1 TYR 31 -28.603 0.875 -14.649 151 HE2 TYR 31 HE2 TYR 31 -30.082 0.477 -10.635 152 HH TYR 31 HH TYR 31 -31.409 0.646 -12.522 153 H SER 32 H SER 32 -24.763 0.932 -8.997 154 HA SER 32 HA SER 32 -25.581 3.688 -8.949 155 HB2 SER 32 HB2 SER 32 -27.648 1.778 -9.181 156 HB3 SER 32 HB3 SER 32 -27.629 2.276 -7.492 157 HG SER 32 HG SER 32 -28.074 4.283 -8.037 158 HA PRO 33 HA PRO 33 -23.082 2.817 -5.302 159 HB2 PRO 33 HB2 PRO 33 -23.919 5.628 -4.696 160 HB3 PRO 33 HB3 PRO 33 -22.302 4.906 -4.713 161 HG2 PRO 33 HG2 PRO 33 -23.105 6.520 -6.651 162 HG3 PRO 33 HG3 PRO 33 -22.054 5.130 -6.967 163 HD2 PRO 33 HD2 PRO 33 -24.959 5.468 -7.560 164 HD3 PRO 33 HD3 PRO 33 -23.722 4.530 -8.424 165 H GLU 34 H GLU 34 -26.187 4.537 -5.114 166 HA GLU 34 HA GLU 34 -26.677 4.060 -2.394 167 HB2 GLU 34 HB2 GLU 34 -27.808 5.778 -3.748 168 HB3 GLU 34 HB3 GLU 34 -28.649 4.516 -4.647 169 HG2 GLU 34 HG2 GLU 34 -29.752 3.757 -2.617 170 HG3 GLU 34 HG3 GLU 34 -28.900 4.960 -1.655 171 H LEU 35 H LEU 35 -27.581 2.145 -5.257 172 HA LEU 35 HA LEU 35 -29.262 0.304 -3.851 173 HB2 LEU 35 HB2 LEU 35 -27.816 0.088 -6.493 174 HB3 LEU 35 HB3 LEU 35 -28.849 -1.183 -5.846 175 HG LEU 35 HG LEU 35 -29.770 1.676 -6.241 176 HD11 LEU 35 HD11 LEU 35 -29.222 -0.260 -8.228 177 HD12 LEU 35 HD12 LEU 35 -30.112 1.256 -8.418 178 HD13 LEU 35 HD13 LEU 35 -30.975 -0.230 -8.041 179 HD21 LEU 35 HD21 LEU 35 -31.993 0.108 -6.302 180 HD22 LEU 35 HD22 LEU 35 -31.370 0.858 -4.835 181 HD23 LEU 35 HD23 LEU 35 -30.986 -0.823 -5.199 182 H ALA 36 H ALA 36 -25.865 0.414 -4.683 183 HA ALA 36 HA ALA 36 -25.116 -2.164 -3.765 184 HB1 ALA 36 HB1 ALA 36 -23.209 0.125 -3.613 185 HB2 ALA 36 HB2 ALA 36 -23.853 -0.318 -5.195 186 HB3 ALA 36 HB3 ALA 36 -22.960 -1.505 -4.232 187 H LYS 37 H LYS 37 -25.425 0.965 -2.261 188 HA LYS 37 HA LYS 37 -24.148 0.519 0.194 189 HB2 LYS 37 HB2 LYS 37 -24.897 2.674 -0.806 190 HB3 LYS 37 HB3 LYS 37 -26.559 2.229 -0.503 191 HG2 LYS 37 HG2 LYS 37 -24.499 2.544 1.681 192 HG3 LYS 37 HG3 LYS 37 -25.544 3.842 1.133 193 HD2 LYS 37 HD2 LYS 37 -27.544 2.507 1.746 194 HD3 LYS 37 HD3 LYS 37 -26.481 1.238 2.357 195 HE2 LYS 37 HE2 LYS 37 -25.497 2.825 3.976 196 HE3 LYS 37 HE3 LYS 37 -26.531 4.099 3.337 197 HZ1 LYS 37 HZ1 LYS 37 -27.439 1.621 4.701 198 HZ2 LYS 37 HZ2 LYS 37 -28.469 2.742 3.941 199 HZ3 LYS 37 HZ3 LYS 37 -27.534 3.210 5.288 200 H ARG 38 H ARG 38 -27.558 0.034 -0.778 201 HA ARG 38 HA ARG 38 -28.394 -1.021 1.740 202 HB2 ARG 38 HB2 ARG 38 -29.551 -1.168 -1.040 203 HB3 ARG 38 HB3 ARG 38 -30.328 -1.913 0.358 204 HG2 ARG 38 HG2 ARG 38 -30.391 0.255 1.508 205 HG3 ARG 38 HG3 ARG 38 -29.572 1.024 0.153 206 HD2 ARG 38 HD2 ARG 38 -31.475 0.421 -1.323 207 HD3 ARG 38 HD3 ARG 38 -32.275 -0.356 0.041 208 HE ARG 38 HE ARG 38 -32.577 1.795 1.048 209 HH11 ARG 38 HH11 ARG 38 -30.838 2.019 -1.955 210 HH12 ARG 38 HH12 ARG 38 -31.691 3.418 -2.490 211 HH21 ARG 38 HH21 ARG 38 -33.054 3.994 0.655 212 HH22 ARG 38 HH22 ARG 38 -32.066 4.798 -0.516 213 H TYR 39 H TYR 39 -27.301 -2.568 -1.283 214 HA TYR 39 HA TYR 39 -27.740 -5.189 -0.432 215 HB2 TYR 39 HB2 TYR 39 -25.849 -4.112 -2.507 216 HB3 TYR 39 HB3 TYR 39 -26.011 -5.834 -2.169 217 HD1 TYR 39 HD1 TYR 39 -28.387 -6.840 -2.198 218 HD2 TYR 39 HD2 TYR 39 -27.335 -3.143 -4.085 219 HE1 TYR 39 HE1 TYR 39 -30.564 -6.816 -3.358 220 HE2 TYR 39 HE2 TYR 39 -29.461 -3.161 -5.319 221 HH TYR 39 HH TYR 39 -31.169 -5.119 -6.020 222 H VAL 40 H VAL 40 -24.756 -3.259 -0.121 223 HA VAL 40 HA VAL 40 -23.205 -5.350 0.894 224 HB VAL 40 HB VAL 40 -22.931 -2.378 1.409 225 HG11 VAL 40 HG11 VAL 40 -21.503 -3.088 3.033 226 HG12 VAL 40 HG12 VAL 40 -20.460 -3.585 1.704 227 HG13 VAL 40 HG13 VAL 40 -21.531 -4.753 2.443 228 HG21 VAL 40 HG21 VAL 40 -22.088 -4.257 -0.742 229 HG22 VAL 40 HG22 VAL 40 -20.868 -3.116 -0.197 230 HG23 VAL 40 HG23 VAL 40 -22.403 -2.524 -0.825 231 H GLU 41 H GLU 41 -25.318 -3.072 2.599 232 HA GLU 41 HA GLU 41 -24.315 -3.698 5.197 233 HB2 GLU 41 HB2 GLU 41 -26.861 -2.357 4.301 234 HB3 GLU 41 HB3 GLU 41 -26.410 -2.557 5.994 235 HG2 GLU 41 HG2 GLU 41 -24.295 -1.308 5.563 236 HG3 GLU 41 HG3 GLU 41 -24.752 -1.136 3.881 237 H LEU 42 H LEU 42 -26.914 -4.915 3.190 238 HA LEU 42 HA LEU 42 -27.779 -7.035 4.797 239 HB2 LEU 42 HB2 LEU 42 -28.773 -6.484 2.676 240 HB3 LEU 42 HB3 LEU 42 -27.258 -6.738 1.830 241 HG LEU 42 HG LEU 42 -27.344 -9.140 2.373 242 HD11 LEU 42 HD11 LEU 42 -28.553 -9.671 4.213 243 HD12 LEU 42 HD12 LEU 42 -29.919 -9.705 3.098 244 HD13 LEU 42 HD13 LEU 42 -29.599 -8.261 4.065 245 HD21 LEU 42 HD21 LEU 42 -29.002 -9.669 0.743 246 HD22 LEU 42 HD22 LEU 42 -28.435 -8.048 0.332 247 HD23 LEU 42 HD23 LEU 42 -29.967 -8.252 1.166 248 H ALA 43 H ALA 43 -24.766 -6.767 2.828 249 HA ALA 43 HA ALA 43 -24.073 -9.517 3.170 250 HB1 ALA 43 HB1 ALA 43 -22.098 -9.025 2.061 251 HB2 ALA 43 HB2 ALA 43 -22.024 -7.381 2.692 252 HB3 ALA 43 HB3 ALA 43 -23.187 -7.799 1.426 253 H LEU 44 H LEU 44 -23.175 -6.552 4.931 254 HA LEU 44 HA LEU 44 -21.365 -7.788 6.695 255 HB2 LEU 44 HB2 LEU 44 -22.920 -5.232 6.758 256 HB3 LEU 44 HB3 LEU 44 -22.065 -5.764 8.207 257 HG LEU 44 HG LEU 44 -19.976 -5.951 6.862 258 HD11 LEU 44 HD11 LEU 44 -19.923 -4.902 4.611 259 HD12 LEU 44 HD12 LEU 44 -21.678 -4.730 4.680 260 HD13 LEU 44 HD13 LEU 44 -20.946 -6.333 4.643 261 HD21 LEU 44 HD21 LEU 44 -21.477 -3.371 7.112 262 HD22 LEU 44 HD22 LEU 44 -19.893 -3.369 6.331 263 HD23 LEU 44 HD23 LEU 44 -20.051 -3.923 7.991 264 H LEU 45 H LEU 45 -24.847 -7.203 7.053 265 HA LEU 45 HA LEU 45 -25.145 -8.424 9.567 266 HB2 LEU 45 HB2 LEU 45 -27.072 -8.160 7.255 267 HB3 LEU 45 HB3 LEU 45 -27.518 -8.819 8.828 268 HG LEU 45 HG LEU 45 -26.255 -6.087 8.484 269 HD11 LEU 45 HD11 LEU 45 -29.039 -6.066 9.279 270 HD12 LEU 45 HD12 LEU 45 -28.852 -6.874 7.722 271 HD13 LEU 45 HD13 LEU 45 -28.263 -5.226 7.936 272 HD21 LEU 45 HD21 LEU 45 -26.937 -7.772 10.747 273 HD22 LEU 45 HD22 LEU 45 -27.825 -6.252 10.812 274 HD23 LEU 45 HD23 LEU 45 -26.059 -6.247 10.718 275 H VAL 46 H VAL 46 -25.308 -9.812 6.282 276 HA VAL 46 HA VAL 46 -25.684 -12.491 7.050 277 HB VAL 46 HB VAL 46 -24.313 -11.246 4.662 278 HG11 VAL 46 HG11 VAL 46 -25.113 -13.763 3.883 279 HG12 VAL 46 HG12 VAL 46 -24.489 -14.062 5.503 280 HG13 VAL 46 HG13 VAL 46 -23.454 -13.317 4.293 281 HG21 VAL 46 HG21 VAL 46 -26.870 -11.036 5.187 282 HG22 VAL 46 HG22 VAL 46 -26.933 -12.726 4.697 283 HG23 VAL 46 HG23 VAL 46 -26.363 -11.498 3.562 284 H GLN 47 H GLN 47 -22.691 -10.593 6.617 285 HA GLN 47 HA GLN 47 -20.893 -12.710 6.763 286 HB2 GLN 47 HB2 GLN 47 -20.380 -10.393 6.019 287 HB3 GLN 47 HB3 GLN 47 -20.532 -9.841 7.682 288 HG2 GLN 47 HG2 GLN 47 -18.662 -11.321 8.338 289 HG3 GLN 47 HG3 GLN 47 -18.478 -11.838 6.661 290 HE21 GLN 47 HE21 GLN 47 -16.316 -10.876 6.537 291 HE22 GLN 47 HE22 GLN 47 -16.157 -9.207 6.301 292 H GLN 48 H GLN 48 -21.926 -10.518 9.415 293 HA GLN 48 HA GLN 48 -20.560 -11.880 11.480 294 HB2 GLN 48 HB2 GLN 48 -22.045 -10.638 12.974 295 HB3 GLN 48 HB3 GLN 48 -21.478 -9.599 11.669 296 HG2 GLN 48 HG2 GLN 48 -23.606 -10.031 10.450 297 HG3 GLN 48 HG3 GLN 48 -24.178 -10.978 11.821 298 HE21 GLN 48 HE21 GLN 48 -25.737 -9.696 12.836 299 HE22 GLN 48 HE22 GLN 48 -25.622 -8.020 13.048 300 H LYS 49 H LYS 49 -23.815 -12.196 10.212 301 HA LYS 49 HA LYS 49 -24.844 -13.993 12.131 302 HB2 LYS 49 HB2 LYS 49 -26.114 -12.420 10.745 303 HB3 LYS 49 HB3 LYS 49 -25.716 -13.354 9.313 304 HG2 LYS 49 HG2 LYS 49 -26.959 -15.274 10.182 305 HG3 LYS 49 HG3 LYS 49 -27.310 -14.391 11.671 306 HD2 LYS 49 HD2 LYS 49 -28.431 -12.620 10.344 307 HD3 LYS 49 HD3 LYS 49 -28.113 -13.526 8.872 308 HE2 LYS 49 HE2 LYS 49 -29.521 -15.363 9.665 309 HE3 LYS 49 HE3 LYS 49 -29.839 -14.493 11.168 310 HZ1 LYS 49 HZ1 LYS 49 -30.461 -13.445 8.457 311 HZ2 LYS 49 HZ2 LYS 49 -30.876 -12.741 9.942 312 HZ3 LYS 49 HZ3 LYS 49 -31.587 -14.210 9.469 313 H ALA 50 H ALA 50 -23.563 -14.524 8.871 314 HA ALA 50 HA ALA 50 -23.700 -17.394 8.981 315 HB1 ALA 50 HB1 ALA 50 -22.048 -15.585 7.187 316 HB2 ALA 50 HB2 ALA 50 -23.716 -16.090 6.870 317 HB3 ALA 50 HB3 ALA 50 -22.439 -17.283 6.897 318 H LYS 51 H LYS 51 -21.689 -15.093 10.417 319 HA LYS 51 HA LYS 51 -19.696 -15.167 11.510 320 HB2 LYS 51 HB2 LYS 51 -21.256 -17.169 12.406 321 HB3 LYS 51 HB3 LYS 51 -19.874 -18.115 11.858 322 HG2 LYS 51 HG2 LYS 51 -18.369 -16.766 13.240 323 HG3 LYS 51 HG3 LYS 51 -19.700 -15.703 13.689 324 HD2 LYS 51 HD2 LYS 51 -20.849 -17.583 14.788 325 HD3 LYS 51 HD3 LYS 51 -19.535 -18.662 14.327 326 HE2 LYS 51 HE2 LYS 51 -17.946 -17.300 15.643 327 HE3 LYS 51 HE3 LYS 51 -19.258 -16.217 16.104 328 HZ1 LYS 51 HZ1 LYS 51 -20.391 -18.264 17.009 329 HZ2 LYS 51 HZ2 LYS 51 -19.022 -17.726 17.861 330 HZ3 LYS 51 HZ3 LYS 51 -18.906 -19.063 16.822 331 H VAL 52 H VAL 52 -18.942 -14.833 9.128 332 HA VAL 52 HA VAL 52 -16.962 -16.955 8.524 333 HB VAL 52 HB VAL 52 -17.066 -16.113 6.145 334 HG11 VAL 52 HG11 VAL 52 -19.098 -17.395 5.610 335 HG12 VAL 52 HG12 VAL 52 -19.599 -17.324 7.302 336 HG13 VAL 52 HG13 VAL 52 -18.148 -18.218 6.842 337 HG21 VAL 52 HG21 VAL 52 -18.180 -13.966 6.542 338 HG22 VAL 52 HG22 VAL 52 -19.599 -14.788 7.179 339 HG23 VAL 52 HG23 VAL 52 -19.172 -14.972 5.481 340 H LYS 53 H LYS 53 -14.933 -16.351 8.516 341 HA LYS 53 HA LYS 53 -14.231 -13.622 9.230 342 HB2 LYS 53 HB2 LYS 53 -12.592 -16.124 8.772 343 HB3 LYS 53 HB3 LYS 53 -11.905 -14.569 9.245 344 HG2 LYS 53 HG2 LYS 53 -13.295 -14.581 11.288 345 HG3 LYS 53 HG3 LYS 53 -14.002 -16.126 10.817 346 HD2 LYS 53 HD2 LYS 53 -11.755 -17.174 10.901 347 HD3 LYS 53 HD3 LYS 53 -11.064 -15.621 11.375 348 HE2 LYS 53 HE2 LYS 53 -12.437 -15.608 13.412 349 HE3 LYS 53 HE3 LYS 53 -13.167 -17.144 12.947 350 HZ1 LYS 53 HZ1 LYS 53 -11.335 -17.417 14.521 351 HZ2 LYS 53 HZ2 LYS 53 -10.265 -16.695 13.414 352 HZ3 LYS 53 HZ3 LYS 53 -11.005 -18.173 13.035 353 H ILE 54 H ILE 54 -13.344 -12.150 7.907 354 HA ILE 54 HA ILE 54 -12.361 -12.986 5.247 355 HB ILE 54 HB ILE 54 -14.321 -10.827 6.006 356 HG12 ILE 54 HG12 ILE 54 -14.216 -12.893 3.786 357 HG13 ILE 54 HG13 ILE 54 -15.165 -13.029 5.263 358 HG21 ILE 54 HG21 ILE 54 -12.834 -9.513 4.770 359 HG22 ILE 54 HG22 ILE 54 -13.957 -10.085 3.545 360 HG23 ILE 54 HG23 ILE 54 -12.378 -10.858 3.715 361 HD11 ILE 54 HD11 ILE 54 -15.563 -11.114 2.972 362 HD12 ILE 54 HD12 ILE 54 -16.291 -10.827 4.546 363 HD13 ILE 54 HD13 ILE 54 -16.705 -12.284 3.640 364 HA PRO 55 HA PRO 55 -8.842 -10.785 7.170 365 HB2 PRO 55 HB2 PRO 55 -7.710 -11.499 4.493 366 HB3 PRO 55 HB3 PRO 55 -6.996 -11.694 6.105 367 HG2 PRO 55 HG2 PRO 55 -7.960 -13.772 4.781 368 HG3 PRO 55 HG3 PRO 55 -8.213 -13.625 6.531 369 HD2 PRO 55 HD2 PRO 55 -10.142 -13.103 4.284 370 HD3 PRO 55 HD3 PRO 55 -10.440 -13.853 5.869 371 H ARG 56 H ARG 56 -9.714 -10.382 3.716 372 HA ARG 56 HA ARG 56 -9.508 -7.480 4.130 373 HB2 ARG 56 HB2 ARG 56 -8.222 -9.061 1.924 374 HB3 ARG 56 HB3 ARG 56 -8.409 -7.306 1.888 375 HG2 ARG 56 HG2 ARG 56 -7.195 -7.136 4.039 376 HG3 ARG 56 HG3 ARG 56 -6.997 -8.882 4.064 377 HD2 ARG 56 HD2 ARG 56 -5.910 -7.104 1.867 378 HD3 ARG 56 HD3 ARG 56 -4.978 -7.660 3.253 379 HE ARG 56 HE ARG 56 -6.047 -9.942 2.117 380 HH11 ARG 56 HH11 ARG 56 -3.717 -7.448 1.432 381 HH12 ARG 56 HH12 ARG 56 -2.713 -8.489 0.481 382 HH21 ARG 56 HH21 ARG 56 -5.013 -11.054 0.354 383 HH22 ARG 56 HH22 ARG 56 -3.466 -10.485 -0.167 384 H LYS 57 H LYS 57 -11.324 -10.002 2.521 385 HA LYS 57 HA LYS 57 -11.992 -8.645 0.252 386 HB2 LYS 57 HB2 LYS 57 -13.695 -10.666 1.728 387 HB3 LYS 57 HB3 LYS 57 -14.072 -10.052 0.130 388 HG2 LYS 57 HG2 LYS 57 -11.976 -10.998 -0.736 389 HG3 LYS 57 HG3 LYS 57 -11.568 -11.588 0.882 390 HD2 LYS 57 HD2 LYS 57 -13.650 -12.921 0.924 391 HD3 LYS 57 HD3 LYS 57 -14.076 -12.327 -0.675 392 HE2 LYS 57 HE2 LYS 57 -12.086 -13.410 -1.631 393 HE3 LYS 57 HE3 LYS 57 -11.634 -14.019 -0.035 394 HZ1 LYS 57 HZ1 LYS 57 -14.346 -14.566 -0.914 395 HZ2 LYS 57 HZ2 LYS 57 -13.271 -15.549 -0.045 396 HZ3 LYS 57 HZ3 LYS 57 -13.106 -15.397 -1.733 397 H TRP 58 H TRP 58 -13.699 -8.384 3.364 398 HA TRP 58 HA TRP 58 -15.538 -6.489 2.061 399 HB2 TRP 58 HB2 TRP 58 -16.119 -8.647 3.982 400 HB3 TRP 58 HB3 TRP 58 -16.812 -7.088 4.415 401 HD1 TRP 58 HD1 TRP 58 -17.471 -10.024 2.305 402 HE1 TRP 58 HE1 TRP 58 -19.541 -9.518 0.826 403 HE3 TRP 58 HE3 TRP 58 -17.062 -5.020 2.135 404 HZ2 TRP 58 HZ2 TRP 58 -20.463 -7.187 -0.724 405 HZ3 TRP 58 HZ3 TRP 58 -18.352 -3.686 0.506 406 HH2 TRP 58 HH2 TRP 58 -19.574 -4.907 -1.280 407 H LYS 59 H LYS 59 -13.475 -7.228 4.794 408 HA LYS 59 HA LYS 59 -14.098 -4.953 6.328 409 HB2 LYS 59 HB2 LYS 59 -11.648 -6.703 6.291 410 HB3 LYS 59 HB3 LYS 59 -11.896 -5.398 7.455 411 HG2 LYS 59 HG2 LYS 59 -14.012 -6.438 8.181 412 HG3 LYS 59 HG3 LYS 59 -13.794 -7.737 7.011 413 HD2 LYS 59 HD2 LYS 59 -11.704 -8.405 8.158 414 HD3 LYS 59 HD3 LYS 59 -11.927 -7.102 9.318 415 HE2 LYS 59 HE2 LYS 59 -14.056 -8.100 10.046 416 HE3 LYS 59 HE3 LYS 59 -13.867 -9.402 8.868 417 HZ1 LYS 59 HZ1 LYS 59 -12.975 -10.373 10.701 418 HZ2 LYS 59 HZ2 LYS 59 -12.414 -8.912 11.366 419 HZ3 LYS 59 HZ3 LYS 59 -11.572 -9.638 10.081 420 H ARG 60 H ARG 60 -11.751 -5.436 3.754 421 HA ARG 60 HA ARG 60 -10.659 -2.741 4.225 422 HB2 ARG 60 HB2 ARG 60 -9.553 -5.073 2.653 423 HB3 ARG 60 HB3 ARG 60 -8.787 -3.490 2.767 424 HG2 ARG 60 HG2 ARG 60 -9.470 -5.216 5.168 425 HG3 ARG 60 HG3 ARG 60 -7.891 -5.199 4.390 426 HD2 ARG 60 HD2 ARG 60 -7.615 -2.830 4.899 427 HD3 ARG 60 HD3 ARG 60 -9.248 -2.743 5.547 428 HE ARG 60 HE ARG 60 -8.511 -3.807 7.488 429 HH11 ARG 60 HH11 ARG 60 -6.140 -4.164 4.996 430 HH12 ARG 60 HH12 ARG 60 -4.820 -4.391 6.086 431 HH21 ARG 60 HH21 ARG 60 -6.853 -4.348 8.901 432 HH22 ARG 60 HH22 ARG 60 -5.265 -4.667 8.296 433 H ARG 61 H ARG 61 -13.075 -3.999 2.463 434 HA ARG 61 HA ARG 61 -12.426 -2.401 0.079 435 HB2 ARG 61 HB2 ARG 61 -13.960 -4.978 0.213 436 HB3 ARG 61 HB3 ARG 61 -13.995 -3.901 -1.185 437 HG2 ARG 61 HG2 ARG 61 -11.542 -4.033 -1.362 438 HG3 ARG 61 HG3 ARG 61 -11.491 -5.102 0.037 439 HD2 ARG 61 HD2 ARG 61 -12.834 -6.776 -1.189 440 HD3 ARG 61 HD3 ARG 61 -12.894 -5.702 -2.587 441 HE ARG 61 HE ARG 61 -10.202 -6.177 -1.785 442 HH11 ARG 61 HH11 ARG 61 -12.887 -7.647 -3.449 443 HH12 ARG 61 HH12 ARG 61 -11.898 -8.129 -4.783 444 HH21 ARG 61 HH21 ARG 61 -8.937 -7.618 -3.040 445 HH22 ARG 61 HH22 ARG 61 -9.695 -8.509 -4.313 446 H TYR 62 H TYR 62 -14.105 -1.844 2.707 447 HA TYR 62 HA TYR 62 -16.184 -0.465 1.168 448 HB2 TYR 62 HB2 TYR 62 -17.835 -1.058 2.915 449 HB3 TYR 62 HB3 TYR 62 -17.312 -2.377 1.880 450 HD1 TYR 62 HD1 TYR 62 -14.998 -1.311 4.589 451 HD2 TYR 62 HD2 TYR 62 -18.403 -3.742 3.659 452 HE1 TYR 62 HE1 TYR 62 -14.871 -2.381 6.803 453 HE2 TYR 62 HE2 TYR 62 -17.932 -5.147 5.627 454 HH TYR 62 HH TYR 62 -16.274 -4.069 8.251 455 H CYS 63 H CYS 63 -17.397 1.134 2.149 456 HA CYS 63 HA CYS 63 -15.917 3.029 3.609 457 HB2 CYS 63 HB2 CYS 63 -18.065 3.253 2.036 458 HB3 CYS 63 HB3 CYS 63 -18.904 3.143 3.587 459 H LYS 64 H LYS 64 -15.928 3.630 5.722 460 HA LYS 64 HA LYS 64 -16.497 1.744 7.683 461 HB2 LYS 64 HB2 LYS 64 -16.257 4.766 7.926 462 HB3 LYS 64 HB3 LYS 64 -16.147 3.639 9.270 463 HG2 LYS 64 HG2 LYS 64 -14.265 3.668 6.900 464 HG3 LYS 64 HG3 LYS 64 -13.932 4.380 8.475 465 HD2 LYS 64 HD2 LYS 64 -14.136 2.173 9.543 466 HD3 LYS 64 HD3 LYS 64 -14.474 1.449 7.969 467 HE2 LYS 64 HE2 LYS 64 -12.274 2.190 7.142 468 HE3 LYS 64 HE3 LYS 64 -11.944 2.956 8.698 469 HZ1 LYS 64 HZ1 LYS 64 -11.308 1.035 9.537 470 HZ2 LYS 64 HZ2 LYS 64 -11.392 0.362 7.980 471 HZ3 LYS 64 HZ3 LYS 64 -12.726 0.244 9.024 472 H LYS 65 H LYS 65 -18.462 4.517 6.609 473 HA LYS 65 HA LYS 65 -20.575 3.889 8.543 474 HB2 LYS 65 HB2 LYS 65 -19.994 6.248 8.116 475 HB3 LYS 65 HB3 LYS 65 -20.477 6.044 6.429 476 HG2 LYS 65 HG2 LYS 65 -22.745 5.419 7.135 477 HG3 LYS 65 HG3 LYS 65 -22.264 5.535 8.825 478 HD2 LYS 65 HD2 LYS 65 -21.760 7.942 8.508 479 HD3 LYS 65 HD3 LYS 65 -22.253 7.818 6.823 480 HE2 LYS 65 HE2 LYS 65 -24.527 7.154 7.531 481 HE3 LYS 65 HE3 LYS 65 -24.037 7.264 9.219 482 HZ1 LYS 65 HZ1 LYS 65 -24.137 9.475 7.251 483 HZ2 LYS 65 HZ2 LYS 65 -23.468 9.617 8.808 484 HZ3 LYS 65 HZ3 LYS 65 -25.123 9.274 8.613 485 H CYS 66 H CYS 66 -20.114 4.061 5.045 486 HA CYS 66 HA CYS 66 -22.843 3.479 4.475 487 HB2 CYS 66 HB2 CYS 66 -20.493 3.449 2.559 488 HB3 CYS 66 HB3 CYS 66 -22.206 3.603 2.161 489 H HIS 67 H HIS 67 -19.990 1.656 4.845 490 HA HIS 67 HA HIS 67 -19.415 -0.538 4.639 491 HB2 HIS 67 HB2 HIS 67 -22.428 -0.922 4.465 492 HB3 HIS 67 HB3 HIS 67 -21.250 -2.182 4.790 493 HD1 HIS 67 HD1 HIS 67 -23.179 0.548 6.353 494 HD2 HIS 67 HD2 HIS 67 -19.495 -1.192 7.172 495 HE1 HIS 67 HE1 HIS 67 -22.730 0.938 8.823 496 HE2 HIS 67 HE2 HIS 67 -20.436 -0.026 9.325 497 H ALA 68 H ALA 68 -20.503 1.344 2.301 498 HA ALA 68 HA ALA 68 -21.147 -0.471 0.169 499 HB1 ALA 68 HB1 ALA 68 -21.320 1.441 -1.205 500 HB2 ALA 68 HB2 ALA 68 -20.308 2.405 -0.126 501 HB3 ALA 68 HB3 ALA 68 -21.933 1.930 0.375 502 H PHE 69 H PHE 69 -19.890 -0.759 -1.751 503 HA PHE 69 HA PHE 69 -17.346 -1.802 -0.940 504 HB2 PHE 69 HB2 PHE 69 -18.956 -2.805 -2.652 505 HB3 PHE 69 HB3 PHE 69 -18.402 -1.570 -3.778 506 HD1 PHE 69 HD1 PHE 69 -17.231 -4.207 -1.481 507 HD2 PHE 69 HD2 PHE 69 -16.726 -2.291 -5.251 508 HE1 PHE 69 HE1 PHE 69 -15.759 -6.037 -2.234 509 HE2 PHE 69 HE2 PHE 69 -15.046 -3.993 -5.896 510 HZ PHE 69 HZ PHE 69 -14.437 -5.787 -4.299 511 H LEU 70 H LEU 70 -15.316 -0.893 -1.242 512 HA LEU 70 HA LEU 70 -15.517 1.965 -1.925 513 HB2 LEU 70 HB2 LEU 70 -14.670 0.836 0.337 514 HB3 LEU 70 HB3 LEU 70 -13.150 0.755 -0.529 515 HG LEU 70 HG LEU 70 -13.044 2.789 0.632 516 HD11 LEU 70 HD11 LEU 70 -14.219 3.888 -1.909 517 HD12 LEU 70 HD12 LEU 70 -12.717 2.966 -1.960 518 HD13 LEU 70 HD13 LEU 70 -12.823 4.437 -0.997 519 HD21 LEU 70 HD21 LEU 70 -15.413 2.768 1.311 520 HD22 LEU 70 HD22 LEU 70 -15.879 3.353 -0.284 521 HD23 LEU 70 HD23 LEU 70 -14.910 4.369 0.787 522 H VAL 71 H VAL 71 -15.234 1.908 -4.146 523 HA VAL 71 HA VAL 71 -12.432 1.566 -4.967 524 HB VAL 71 HB VAL 71 -14.645 0.949 -6.908 525 HG11 VAL 71 HG11 VAL 71 -12.861 -0.339 -7.989 526 HG12 VAL 71 HG12 VAL 71 -11.764 0.044 -6.665 527 HG13 VAL 71 HG13 VAL 71 -12.343 1.329 -7.720 528 HG21 VAL 71 HG21 VAL 71 -14.366 -1.448 -6.379 529 HG22 VAL 71 HG22 VAL 71 -15.030 -0.582 -5.003 530 HG23 VAL 71 HG23 VAL 71 -13.326 -1.026 -5.016 531 HA PRO 72 HA PRO 72 -13.180 5.798 -6.071 532 HB2 PRO 72 HB2 PRO 72 -10.935 5.568 -7.981 533 HB3 PRO 72 HB3 PRO 72 -11.150 6.670 -6.610 534 HG2 PRO 72 HG2 PRO 72 -9.468 4.535 -6.622 535 HG3 PRO 72 HG3 PRO 72 -10.164 5.255 -5.165 536 HD2 PRO 72 HD2 PRO 72 -10.774 2.673 -6.436 537 HD3 PRO 72 HD3 PRO 72 -11.115 3.220 -4.782 538 H GLY 73 H GLY 73 -14.288 6.889 -7.558 539 HA2 GLY 73 HA2 GLY 73 -14.888 7.587 -9.743 540 HA3 GLY 73 HA3 GLY 73 -14.409 6.010 -10.356 541 H ILE 74 H ILE 74 -16.105 5.240 -7.625 542 HA ILE 74 HA ILE 74 -18.143 4.277 -9.554 543 HB ILE 74 HB ILE 74 -17.011 2.808 -7.170 544 HG12 ILE 74 HG12 ILE 74 -15.289 3.088 -8.913 545 HG13 ILE 74 HG13 ILE 74 -15.812 1.416 -8.802 546 HG21 ILE 74 HG21 ILE 74 -18.945 1.660 -7.500 547 HG22 ILE 74 HG22 ILE 74 -18.138 1.001 -8.921 548 HG23 ILE 74 HG23 ILE 74 -19.209 2.401 -9.070 549 HD11 ILE 74 HD11 ILE 74 -16.864 3.374 -10.865 550 HD12 ILE 74 HD12 ILE 74 -17.174 1.637 -10.791 551 HD13 ILE 74 HD13 ILE 74 -15.553 2.224 -11.142 552 H ASN 75 H ASN 75 -17.893 3.926 -6.010 553 HA ASN 75 HA ASN 75 -20.472 5.347 -5.731 554 HB2 ASN 75 HB2 ASN 75 -20.780 4.167 -3.683 555 HB3 ASN 75 HB3 ASN 75 -20.241 2.974 -4.846 556 HD21 ASN 75 HD21 ASN 75 -17.332 4.294 -4.425 557 HD22 ASN 75 HD22 ASN 75 -16.856 3.026 -3.402 558 H ALA 76 H ALA 76 -17.395 5.963 -5.830 559 HA ALA 76 HA ALA 76 -17.221 8.086 -3.900 560 HB1 ALA 76 HB1 ALA 76 -15.556 7.202 -2.481 561 HB2 ALA 76 HB2 ALA 76 -15.252 5.821 -3.538 562 HB3 ALA 76 HB3 ALA 76 -16.752 5.915 -2.603 563 H ARG 77 H ARG 77 -15.220 9.307 -4.234 564 HA ARG 77 HA ARG 77 -13.892 8.605 -6.761 565 HB2 ARG 77 HB2 ARG 77 -15.652 10.211 -7.342 566 HB3 ARG 77 HB3 ARG 77 -14.992 11.363 -6.180 567 HG2 ARG 77 HG2 ARG 77 -12.856 11.376 -7.418 568 HG3 ARG 77 HG3 ARG 77 -13.499 10.201 -8.565 569 HD2 ARG 77 HD2 ARG 77 -15.308 11.878 -9.109 570 HD3 ARG 77 HD3 ARG 77 -14.439 13.050 -8.110 571 HE ARG 77 HE ARG 77 -12.640 11.911 -9.964 572 HH11 ARG 77 HH11 ARG 77 -15.601 13.572 -10.260 573 HH12 ARG 77 HH12 ARG 77 -15.091 14.510 -11.620 574 HH21 ARG 77 HH21 ARG 77 -11.999 13.064 -11.768 575 HH22 ARG 77 HH22 ARG 77 -12.893 14.453 -12.275 576 H VAL 78 H VAL 78 -11.763 9.284 -6.928 577 HA VAL 78 HA VAL 78 -10.645 10.574 -4.530 578 HB VAL 78 HB VAL 78 -10.221 8.073 -4.623 579 HG11 VAL 78 HG11 VAL 78 -8.129 8.696 -6.690 580 HG12 VAL 78 HG12 VAL 78 -9.760 8.262 -7.197 581 HG13 VAL 78 HG13 VAL 78 -8.800 7.141 -6.216 582 HG21 VAL 78 HG21 VAL 78 -7.559 9.424 -4.769 583 HG22 VAL 78 HG22 VAL 78 -8.215 8.343 -3.531 584 HG23 VAL 78 HG23 VAL 78 -8.709 10.031 -3.591 585 H ARG 79 H ARG 79 -9.431 12.272 -4.954 586 HA ARG 79 HA ARG 79 -8.346 12.627 -7.684 587 HB2 ARG 79 HB2 ARG 79 -8.761 14.703 -5.506 588 HB3 ARG 79 HB3 ARG 79 -7.888 14.980 -7.008 589 HG2 ARG 79 HG2 ARG 79 -9.901 14.472 -8.312 590 HG3 ARG 79 HG3 ARG 79 -10.802 14.153 -6.825 591 HD2 ARG 79 HD2 ARG 79 -10.330 16.473 -6.069 592 HD3 ARG 79 HD3 ARG 79 -9.449 16.755 -7.561 593 HE ARG 79 HE ARG 79 -11.464 16.811 -8.760 594 HH11 ARG 79 HH11 ARG 79 -11.891 17.078 -5.433 595 HH12 ARG 79 HH12 ARG 79 -13.600 16.840 -5.427 596 HH21 ARG 79 HH21 ARG 79 -13.679 17.103 -8.849 597 HH22 ARG 79 HH22 ARG 79 -14.669 16.728 -7.480 598 H LEU 80 H LEU 80 -6.177 12.600 -7.920 599 HA LEU 80 HA LEU 80 -4.534 12.278 -5.472 600 HB2 LEU 80 HB2 LEU 80 -3.814 11.532 -8.328 601 HB3 LEU 80 HB3 LEU 80 -2.969 11.076 -6.852 602 HG LEU 80 HG LEU 80 -5.260 10.027 -6.151 603 HD11 LEU 80 HD11 LEU 80 -6.886 10.318 -7.693 604 HD12 LEU 80 HD12 LEU 80 -6.038 9.111 -8.657 605 HD13 LEU 80 HD13 LEU 80 -5.734 10.826 -8.928 606 HD21 LEU 80 HD21 LEU 80 -4.615 7.994 -7.758 607 HD22 LEU 80 HD22 LEU 80 -3.604 8.442 -6.390 608 HD23 LEU 80 HD23 LEU 80 -3.176 8.975 -8.018 609 H ARG 81 H ARG 81 -3.336 14.023 -4.952 610 HA ARG 81 HA ARG 81 -2.804 16.040 -7.039 611 HB2 ARG 81 HB2 ARG 81 -3.000 16.337 -4.035 612 HB3 ARG 81 HB3 ARG 81 -2.435 17.607 -5.118 613 HG2 ARG 81 HG2 ARG 81 -4.578 17.564 -6.328 614 HG3 ARG 81 HG3 ARG 81 -5.154 16.271 -5.274 615 HD2 ARG 81 HD2 ARG 81 -4.920 17.761 -3.315 616 HD3 ARG 81 HD3 ARG 81 -4.322 19.038 -4.370 617 HE ARG 81 HE ARG 81 -6.472 19.334 -5.242 618 HH11 ARG 81 HH11 ARG 81 -6.365 16.613 -3.117 619 HH12 ARG 81 HH12 ARG 81 -8.040 16.714 -2.698 620 HH21 ARG 81 HH21 ARG 81 -8.692 19.417 -4.720 621 HH22 ARG 81 HH22 ARG 81 -9.332 18.284 -3.582 622 H GLN 82 H GLN 82 -0.791 16.813 -7.402 623 HA GLN 82 HA GLN 82 1.386 15.227 -6.189 624 HB2 GLN 82 HB2 GLN 82 1.144 16.499 -8.924 625 HB3 GLN 82 HB3 GLN 82 2.643 15.812 -8.285 626 HG2 GLN 82 HG2 GLN 82 1.556 13.636 -7.989 627 HG3 GLN 82 HG3 GLN 82 0.022 14.307 -8.537 628 HE21 GLN 82 HE21 GLN 82 2.566 12.477 -9.634 629 HE22 GLN 82 HE22 GLN 82 2.539 12.882 -11.282 630 H LYS 83 H LYS 83 2.193 16.226 -4.686 631 HA LYS 83 HA LYS 83 3.489 18.858 -5.017 632 HB2 LYS 83 HB2 LYS 83 2.097 17.694 -2.568 633 HB3 LYS 83 HB3 LYS 83 3.097 19.148 -2.541 634 HG2 LYS 83 HG2 LYS 83 1.594 20.227 -4.165 635 HG3 LYS 83 HG3 LYS 83 0.600 18.775 -4.229 636 HD2 LYS 83 HD2 LYS 83 0.109 19.019 -1.809 637 HD3 LYS 83 HD3 LYS 83 1.091 20.482 -1.771 638 HE2 LYS 83 HE2 LYS 83 -0.409 21.550 -3.408 639 HE3 LYS 83 HE3 LYS 83 -1.383 20.086 -3.485 640 HZ1 LYS 83 HZ1 LYS 83 -1.028 20.883 -0.796 641 HZ2 LYS 83 HZ2 LYS 83 -2.469 20.709 -1.683 642 HZ3 LYS 83 HZ3 LYS 83 -1.635 22.185 -1.702 643 H ARG 84 H ARG 84 5.509 18.634 -3.131 644 HA ARG 84 HA ARG 84 6.473 15.822 -3.502 645 HB2 ARG 84 HB2 ARG 84 7.762 18.191 -2.082 646 HB3 ARG 84 HB3 ARG 84 8.509 16.629 -2.402 647 HG2 ARG 84 HG2 ARG 84 8.397 17.083 -4.837 648 HG3 ARG 84 HG3 ARG 84 7.677 18.660 -4.502 649 HD2 ARG 84 HD2 ARG 84 10.386 17.742 -3.483 650 HD3 ARG 84 HD3 ARG 84 10.141 18.789 -4.874 651 HE ARG 84 HE ARG 84 9.939 19.524 -2.093 652 HH11 ARG 84 HH11 ARG 84 8.544 20.320 -5.228 653 HH12 ARG 84 HH12 ARG 84 8.810 22.009 -4.977 654 HH21 ARG 84 HH21 ARG 84 9.672 21.753 -1.691 655 HH22 ARG 84 HH22 ARG 84 8.629 22.640 -2.754 656 H MET 85 H MET 85 4.080 16.375 -2.148 657 HA MET 85 HA MET 85 4.842 14.340 -0.209 658 HB2 MET 85 HB2 MET 85 3.672 16.868 0.465 659 HB3 MET 85 HB3 MET 85 2.381 15.683 0.555 660 HG2 MET 85 HG2 MET 85 3.782 14.316 2.093 661 HG3 MET 85 HG3 MET 85 5.020 15.575 2.032 662 HE1 MET 85 HE1 MET 85 4.879 15.644 4.662 663 HE2 MET 85 HE2 MET 85 4.099 17.123 5.231 664 HE3 MET 85 HE3 MET 85 5.209 17.185 3.865 665 HA PRO 86 HA PRO 86 1.582 12.878 -3.177 666 HB2 PRO 86 HB2 PRO 86 1.564 10.396 -1.541 667 HB3 PRO 86 HB3 PRO 86 1.707 10.608 -3.293 668 HG2 PRO 86 HG2 PRO 86 3.783 9.922 -1.702 669 HG3 PRO 86 HG3 PRO 86 3.954 10.782 -3.235 670 HD2 PRO 86 HD2 PRO 86 4.279 11.796 -0.466 671 HD3 PRO 86 HD3 PRO 86 4.948 12.427 -1.985 672 H HIS 87 H HIS 87 -0.538 13.269 -2.946 673 HA HIS 87 HA HIS 87 -1.888 12.740 -0.375 674 HB2 HIS 87 HB2 HIS 87 -1.937 15.353 -1.919 675 HB3 HIS 87 HB3 HIS 87 -2.974 14.974 -0.548 676 HD1 HIS 87 HD1 HIS 87 -0.589 17.199 -0.801 677 HD2 HIS 87 HD2 HIS 87 -0.545 13.633 1.394 678 HE1 HIS 87 HE1 HIS 87 0.552 17.695 1.416 679 HE2 HIS 87 HE2 HIS 87 0.903 15.438 2.558 680 H ILE 88 H ILE 88 -3.864 11.827 -0.643 681 HA ILE 88 HA ILE 88 -5.290 12.375 -3.160 682 HB ILE 88 HB ILE 88 -6.164 10.108 -3.242 683 HG12 ILE 88 HG12 ILE 88 -4.285 9.490 -0.937 684 HG13 ILE 88 HG13 ILE 88 -6.026 9.680 -0.757 685 HG21 ILE 88 HG21 ILE 88 -3.503 10.889 -3.754 686 HG22 ILE 88 HG22 ILE 88 -4.347 9.490 -4.437 687 HG23 ILE 88 HG23 ILE 88 -3.378 9.318 -2.987 688 HD11 ILE 88 HD11 ILE 88 -5.812 7.901 -2.877 689 HD12 ILE 88 HD12 ILE 88 -6.181 7.471 -1.201 690 HD13 ILE 88 HD13 ILE 88 -4.525 7.393 -1.796 691 H VAL 89 H VAL 89 -7.532 12.658 -2.980 692 HA VAL 89 HA VAL 89 -8.579 12.715 -0.208 693 HB VAL 89 HB VAL 89 -10.184 14.472 -1.018 694 HG11 VAL 89 HG11 VAL 89 -8.076 14.965 0.264 695 HG12 VAL 89 HG12 VAL 89 -8.594 16.285 -0.782 696 HG13 VAL 89 HG13 VAL 89 -7.262 15.239 -1.277 697 HG21 VAL 89 HG21 VAL 89 -9.602 13.832 -3.509 698 HG22 VAL 89 HG22 VAL 89 -8.297 14.976 -3.297 699 HG23 VAL 89 HG23 VAL 89 -9.961 15.512 -3.094 700 H VAL 90 H VAL 90 -10.463 11.674 0.188 701 HA VAL 90 HA VAL 90 -11.658 10.165 -2.065 702 HB VAL 90 HB VAL 90 -10.925 9.196 0.706 703 HG11 VAL 90 HG11 VAL 90 -11.999 7.018 -0.156 704 HG12 VAL 90 HG12 VAL 90 -12.825 8.027 -1.337 705 HG13 VAL 90 HG13 VAL 90 -13.090 8.284 0.394 706 HG21 VAL 90 HG21 VAL 90 -9.913 7.332 -0.781 707 HG22 VAL 90 HG22 VAL 90 -9.083 8.888 -0.724 708 HG23 VAL 90 HG23 VAL 90 -10.091 8.489 -2.105 709 H LYS 91 H LYS 91 -13.787 10.317 -2.198 710 HA LYS 91 HA LYS 91 -15.332 11.096 0.158 711 HB2 LYS 91 HB2 LYS 91 -16.763 12.560 -1.451 712 HB3 LYS 91 HB3 LYS 91 -15.299 13.233 -0.764 713 HG2 LYS 91 HG2 LYS 91 -15.490 12.029 -3.523 714 HG3 LYS 91 HG3 LYS 91 -15.618 13.745 -3.176 715 HD2 LYS 91 HD2 LYS 91 -13.300 13.706 -2.247 716 HD3 LYS 91 HD3 LYS 91 -13.168 12.012 -2.703 717 HE2 LYS 91 HE2 LYS 91 -13.584 12.557 -5.054 718 HE3 LYS 91 HE3 LYS 91 -13.675 14.269 -4.640 719 HZ1 LYS 91 HZ1 LYS 91 -11.460 14.393 -4.196 720 HZ2 LYS 91 HZ2 LYS 91 -11.449 13.217 -5.430 721 HZ3 LYS 91 HZ3 LYS 91 -11.319 12.746 -3.802 722 H CYS 92 H CYS 92 -17.141 9.834 0.361 723 HA CYS 92 HA CYS 92 -17.682 8.074 -1.955 724 HB2 CYS 92 HB2 CYS 92 -16.842 6.500 -0.505 725 HB3 CYS 92 HB3 CYS 92 -17.296 7.423 0.920 726 H LEU 93 H LEU 93 -19.780 7.849 -2.526 727 HA LEU 93 HA LEU 93 -21.159 10.284 -2.082 728 HB2 LEU 93 HB2 LEU 93 -21.859 7.832 -3.700 729 HB3 LEU 93 HB3 LEU 93 -22.867 9.280 -3.652 730 HG LEU 93 HG LEU 93 -19.907 9.359 -4.299 731 HD11 LEU 93 HD11 LEU 93 -20.723 8.093 -6.098 732 HD12 LEU 93 HD12 LEU 93 -20.858 9.742 -6.697 733 HD13 LEU 93 HD13 LEU 93 -22.288 8.901 -6.088 734 HD21 LEU 93 HD21 LEU 93 -21.043 11.495 -5.520 735 HD22 LEU 93 HD22 LEU 93 -20.453 11.544 -3.852 736 HD23 LEU 93 HD23 LEU 93 -22.168 11.293 -4.178 737 H GLU 94 H GLU 94 -21.628 6.988 -0.919 738 HA GLU 94 HA GLU 94 -24.353 7.325 -0.218 739 HB2 GLU 94 HB2 GLU 94 -22.930 5.389 1.474 740 HB3 GLU 94 HB3 GLU 94 -24.312 5.178 0.417 741 HG2 GLU 94 HG2 GLU 94 -21.397 5.139 -0.380 742 HG3 GLU 94 HG3 GLU 94 -22.540 3.808 -0.424 743 H CYS 95 H CYS 95 -21.317 7.775 1.578 744 HA CYS 95 HA CYS 95 -22.740 8.518 4.008 745 HB2 CYS 95 HB2 CYS 95 -20.462 9.494 4.683 746 HB3 CYS 95 HB3 CYS 95 -20.623 7.747 4.632 747 H GLY 96 H GLY 96 -21.367 9.935 1.130 748 HA2 GLY 96 HA2 GLY 96 -21.534 12.062 0.254 749 HA3 GLY 96 HA3 GLY 96 -22.567 12.507 1.604 750 H HIS 97 H HIS 97 -19.428 11.110 2.227 751 HA HIS 97 HA HIS 97 -18.563 13.726 3.280 752 HB2 HIS 97 HB2 HIS 97 -18.407 11.039 4.615 753 HB3 HIS 97 HB3 HIS 97 -17.435 12.422 5.126 754 HD1 HIS 97 HD1 HIS 97 -21.147 11.538 4.615 755 HD2 HIS 97 HD2 HIS 97 -18.863 14.522 6.358 756 HE1 HIS 97 HE1 HIS 97 -22.492 12.394 6.625 757 HE2 HIS 97 HE2 HIS 97 -21.319 14.563 7.280 758 H ILE 98 H ILE 98 -16.394 14.157 3.350 759 HA ILE 98 HA ILE 98 -14.721 12.582 1.492 760 HB ILE 98 HB ILE 98 -15.279 14.842 0.675 761 HG12 ILE 98 HG12 ILE 98 -12.372 14.648 1.511 762 HG13 ILE 98 HG13 ILE 98 -13.078 13.687 0.213 763 HG21 ILE 98 HG21 ILE 98 -15.437 15.829 3.021 764 HG22 ILE 98 HG22 ILE 98 -14.605 16.821 1.827 765 HG23 ILE 98 HG23 ILE 98 -13.673 15.900 3.006 766 HD11 ILE 98 HD11 ILE 98 -13.450 15.575 -1.150 767 HD12 ILE 98 HD12 ILE 98 -11.876 15.898 -0.425 768 HD13 ILE 98 HD13 ILE 98 -13.316 16.697 0.204 769 H MET 99 H MET 99 -12.881 11.828 2.132 770 HA MET 99 HA MET 99 -11.609 12.824 4.609 771 HB2 MET 99 HB2 MET 99 -11.734 9.981 3.544 772 HB3 MET 99 HB3 MET 99 -10.697 10.510 4.869 773 HG2 MET 99 HG2 MET 99 -12.681 11.283 6.126 774 HG3 MET 99 HG3 MET 99 -13.718 10.738 4.811 775 HE1 MET 99 HE1 MET 99 -13.708 8.743 3.816 776 HE2 MET 99 HE2 MET 99 -14.280 7.426 4.851 777 HE3 MET 99 HE3 MET 99 -12.655 7.383 4.176 778 H ARG 100 H ARG 100 -9.392 13.047 4.562 779 HA ARG 100 HA ARG 100 -8.105 12.892 1.898 780 HB2 ARG 100 HB2 ARG 100 -8.235 15.142 2.948 781 HB3 ARG 100 HB3 ARG 100 -7.340 14.522 4.335 782 HG2 ARG 100 HG2 ARG 100 -5.434 13.978 2.848 783 HG3 ARG 100 HG3 ARG 100 -6.327 14.624 1.470 784 HD2 ARG 100 HD2 ARG 100 -6.475 16.824 2.698 785 HD3 ARG 100 HD3 ARG 100 -5.425 16.139 3.939 786 HE ARG 100 HE ARG 100 -4.339 15.899 1.281 787 HH11 ARG 100 HH11 ARG 100 -4.848 18.192 3.837 788 HH12 ARG 100 HH12 ARG 100 -3.292 18.929 3.673 789 HH21 ARG 100 HH21 ARG 100 -2.220 16.802 1.187 790 HH22 ARG 100 HH22 ARG 100 -1.951 18.327 1.957 791 H TYR 101 H TYR 101 -6.535 11.439 1.635 792 HA TYR 101 HA TYR 101 -5.250 10.257 4.030 793 HB2 TYR 101 HB2 TYR 101 -5.927 8.937 1.391 794 HB3 TYR 101 HB3 TYR 101 -4.969 8.196 2.673 795 HD1 TYR 101 HD1 TYR 101 -6.008 7.837 4.948 796 HD2 TYR 101 HD2 TYR 101 -8.295 8.909 1.472 797 HE1 TYR 101 HE1 TYR 101 -8.075 7.027 6.049 798 HE2 TYR 101 HE2 TYR 101 -10.307 7.930 2.507 799 HH TYR 101 HH TYR 101 -10.988 7.692 5.359 800 HA PRO 102 HA PRO 102 -1.680 12.033 1.745 801 HB2 PRO 102 HB2 PRO 102 -0.086 12.251 3.928 802 HB3 PRO 102 HB3 PRO 102 -1.296 13.470 3.502 803 HG2 PRO 102 HG2 PRO 102 -1.410 11.320 5.560 804 HG3 PRO 102 HG3 PRO 102 -2.008 12.984 5.629 805 HD2 PRO 102 HD2 PRO 102 -3.546 10.720 5.091 806 HD3 PRO 102 HD3 PRO 102 -4.035 12.385 4.719 807 H TYR 103 H TYR 103 -0.029 10.869 0.914 808 HA TYR 103 HA TYR 103 0.942 8.525 2.404 809 HB2 TYR 103 HB2 TYR 103 0.561 8.720 -0.588 810 HB3 TYR 103 HB3 TYR 103 1.444 7.424 0.219 811 HD1 TYR 103 HD1 TYR 103 0.271 5.942 1.852 812 HD2 TYR 103 HD2 TYR 103 -1.884 8.986 -0.271 813 HE1 TYR 103 HE1 TYR 103 -1.858 4.797 2.378 814 HE2 TYR 103 HE2 TYR 103 -4.014 7.970 0.470 815 HH TYR 103 HH TYR 103 -4.582 5.186 0.932 816 H ILE 104 H ILE 104 3.139 8.221 2.450 817 HA ILE 104 HA ILE 104 4.802 10.249 1.110 818 HB ILE 104 HB ILE 104 6.247 10.396 3.089 819 HG12 ILE 104 HG12 ILE 104 4.088 8.840 4.529 820 HG13 ILE 104 HG13 ILE 104 5.631 8.145 4.034 821 HG21 ILE 104 HG21 ILE 104 3.330 11.025 3.603 822 HG22 ILE 104 HG22 ILE 104 4.475 12.050 2.739 823 HG23 ILE 104 HG23 ILE 104 4.692 11.752 4.460 824 HD11 ILE 104 HD11 ILE 104 6.838 9.347 5.589 825 HD12 ILE 104 HD12 ILE 104 5.320 9.161 6.467 826 HD13 ILE 104 HD13 ILE 104 5.673 10.671 5.639 827 H LYS 105 H LYS 105 7.089 9.618 1.008 828 HA LYS 105 HA LYS 105 7.259 6.807 0.156 829 HB2 LYS 105 HB2 LYS 105 9.004 9.211 -0.441 830 HB3 LYS 105 HB3 LYS 105 9.378 7.573 -0.966 831 HG2 LYS 105 HG2 LYS 105 7.247 7.469 -2.207 832 HG3 LYS 105 HG3 LYS 105 6.856 9.107 -1.684 833 HD2 LYS 105 HD2 LYS 105 8.903 9.947 -2.806 834 HD3 LYS 105 HD3 LYS 105 9.280 8.305 -3.322 835 HE2 LYS 105 HE2 LYS 105 7.199 8.208 -4.620 836 HE3 LYS 105 HE3 LYS 105 6.776 9.839 -4.097 837 HZ1 LYS 105 HZ1 LYS 105 8.255 10.758 -5.492 838 HZ2 LYS 105 HZ2 LYS 105 8.117 9.283 -6.333 839 HZ3 LYS 105 HZ3 LYS 105 9.416 9.538 -5.270 Start of MODEL 15 1 H LYS 15 H LYS 15 -19.389 -17.123 3.700 2 HA LYS 15 HA LYS 15 -17.110 -18.662 2.883 3 HB2 LYS 15 HB2 LYS 15 -18.294 -20.820 2.895 4 HB3 LYS 15 HB3 LYS 15 -17.994 -20.216 4.525 5 HG2 LYS 15 HG2 LYS 15 -20.334 -19.365 4.610 6 HG3 LYS 15 HG3 LYS 15 -20.637 -20.074 3.017 7 HD2 LYS 15 HD2 LYS 15 -20.061 -22.312 3.899 8 HD3 LYS 15 HD3 LYS 15 -19.736 -21.601 5.484 9 HE2 LYS 15 HE2 LYS 15 -21.987 -22.567 5.457 10 HE3 LYS 15 HE3 LYS 15 -22.097 -20.815 5.588 11 HZ1 LYS 15 HZ1 LYS 15 -23.213 -22.440 3.639 12 HZ2 LYS 15 HZ2 LYS 15 -21.989 -21.545 2.876 13 HZ3 LYS 15 HZ3 LYS 15 -23.232 -20.742 3.706 14 H GLU 16 H GLU 16 -19.584 -20.245 1.588 15 HA GLU 16 HA GLU 16 -19.446 -18.926 -0.870 16 HB2 GLU 16 HB2 GLU 16 -20.015 -21.322 -0.543 17 HB3 GLU 16 HB3 GLU 16 -21.578 -20.841 0.107 18 HG2 GLU 16 HG2 GLU 16 -22.166 -19.771 -2.015 19 HG3 GLU 16 HG3 GLU 16 -20.586 -20.167 -2.671 20 H ARG 17 H ARG 17 -21.840 -18.705 1.725 21 HA ARG 17 HA ARG 17 -23.884 -17.403 0.328 22 HB2 ARG 17 HB2 ARG 17 -24.119 -18.433 2.562 23 HB3 ARG 17 HB3 ARG 17 -23.128 -17.151 3.250 24 HG2 ARG 17 HG2 ARG 17 -24.811 -15.476 2.529 25 HG3 ARG 17 HG3 ARG 17 -25.808 -16.779 1.877 26 HD2 ARG 17 HD2 ARG 17 -25.833 -17.815 4.168 27 HD3 ARG 17 HD3 ARG 17 -24.984 -16.390 4.771 28 HE ARG 17 HE ARG 17 -27.365 -15.671 3.351 29 HH11 ARG 17 HH11 ARG 17 -25.912 -16.434 6.375 30 HH12 ARG 17 HH12 ARG 17 -27.220 -15.807 7.313 31 HH21 ARG 17 HH21 ARG 17 -29.079 -14.888 4.536 32 HH22 ARG 17 HH22 ARG 17 -29.045 -14.953 6.271 33 H ILE 18 H ILE 18 -21.202 -16.030 2.228 34 HA ILE 18 HA ILE 18 -21.982 -13.329 1.847 35 HB ILE 18 HB ILE 18 -20.555 -14.095 3.720 36 HG12 ILE 18 HG12 ILE 18 -19.208 -11.957 2.049 37 HG13 ILE 18 HG13 ILE 18 -20.749 -11.706 2.869 38 HG21 ILE 18 HG21 ILE 18 -19.057 -15.604 2.529 39 HG22 ILE 18 HG22 ILE 18 -18.124 -14.332 3.305 40 HG23 ILE 18 HG23 ILE 18 -18.423 -14.268 1.572 41 HD11 ILE 18 HD11 ILE 18 -18.146 -12.509 4.212 42 HD12 ILE 18 HD12 ILE 18 -19.694 -12.286 5.029 43 HD13 ILE 18 HD13 ILE 18 -18.890 -10.911 4.269 44 H ASP 19 H ASP 19 -19.927 -15.543 0.135 45 HA ASP 19 HA ASP 19 -18.529 -13.750 -1.514 46 HB2 ASP 19 HB2 ASP 19 -17.888 -16.102 -1.121 47 HB3 ASP 19 HB3 ASP 19 -19.308 -16.634 -2.007 48 H ILE 20 H ILE 20 -21.621 -15.416 -1.911 49 HA ILE 20 HA ILE 20 -22.197 -14.589 -4.542 50 HB ILE 20 HB ILE 20 -24.012 -15.327 -2.242 51 HG12 ILE 20 HG12 ILE 20 -22.564 -17.133 -3.101 52 HG13 ILE 20 HG13 ILE 20 -24.264 -17.436 -3.456 53 HG21 ILE 20 HG21 ILE 20 -25.705 -15.677 -4.148 54 HG22 ILE 20 HG22 ILE 20 -24.669 -14.612 -5.097 55 HG23 ILE 20 HG23 ILE 20 -25.419 -14.022 -3.611 56 HD11 ILE 20 HD11 ILE 20 -23.660 -16.164 -5.718 57 HD12 ILE 20 HD12 ILE 20 -23.330 -17.886 -5.527 58 HD13 ILE 20 HD13 ILE 20 -22.034 -16.712 -5.315 59 H LEU 21 H LEU 21 -22.946 -13.123 -1.401 60 HA LEU 21 HA LEU 21 -24.348 -10.877 -2.388 61 HB2 LEU 21 HB2 LEU 21 -22.854 -11.406 0.169 62 HB3 LEU 21 HB3 LEU 21 -23.532 -9.814 -0.171 63 HG LEU 21 HG LEU 21 -25.139 -12.382 -0.291 64 HD11 LEU 21 HD11 LEU 21 -24.185 -11.721 2.014 65 HD12 LEU 21 HD12 LEU 21 -25.927 -11.953 1.901 66 HD13 LEU 21 HD13 LEU 21 -25.258 -10.329 1.913 67 HD21 LEU 21 HD21 LEU 21 -26.490 -10.938 -1.435 68 HD22 LEU 21 HD22 LEU 21 -25.688 -9.509 -0.786 69 HD23 LEU 21 HD23 LEU 21 -26.895 -10.355 0.178 70 H PHE 22 H PHE 22 -20.896 -11.392 -1.743 71 HA PHE 22 HA PHE 22 -19.964 -8.827 -2.371 72 HB2 PHE 22 HB2 PHE 22 -18.556 -10.546 -1.356 73 HB3 PHE 22 HB3 PHE 22 -18.679 -11.539 -2.806 74 HD1 PHE 22 HD1 PHE 22 -17.408 -8.254 -1.526 75 HD2 PHE 22 HD2 PHE 22 -17.181 -11.262 -4.581 76 HE1 PHE 22 HE1 PHE 22 -15.572 -7.007 -2.632 77 HE2 PHE 22 HE2 PHE 22 -15.536 -9.887 -5.816 78 HZ PHE 22 HZ PHE 22 -14.574 -7.870 -4.732 79 H SER 23 H SER 23 -20.538 -11.634 -4.505 80 HA SER 23 HA SER 23 -19.598 -10.425 -6.903 81 HB2 SER 23 HB2 SER 23 -21.684 -12.587 -6.499 82 HB3 SER 23 HB3 SER 23 -20.920 -12.180 -8.034 83 HG SER 23 HG SER 23 -19.423 -12.834 -5.738 84 H LEU 24 H LEU 24 -22.797 -10.607 -5.384 85 HA LEU 24 HA LEU 24 -24.220 -9.195 -7.382 86 HB2 LEU 24 HB2 LEU 24 -24.732 -9.596 -4.432 87 HB3 LEU 24 HB3 LEU 24 -25.857 -8.760 -5.494 88 HG LEU 24 HG LEU 24 -24.830 -11.565 -6.023 89 HD11 LEU 24 HD11 LEU 24 -27.532 -10.833 -4.871 90 HD12 LEU 24 HD12 LEU 24 -26.169 -11.363 -3.882 91 HD13 LEU 24 HD13 LEU 24 -26.852 -12.441 -5.095 92 HD21 LEU 24 HD21 LEU 24 -27.126 -11.467 -7.348 93 HD22 LEU 24 HD22 LEU 24 -25.639 -10.836 -8.057 94 HD23 LEU 24 HD23 LEU 24 -26.804 -9.729 -7.328 95 H ALA 25 H ALA 25 -22.511 -8.154 -4.465 96 HA ALA 25 HA ALA 25 -23.391 -5.487 -4.464 97 HB1 ALA 25 HB1 ALA 25 -21.488 -5.057 -2.975 98 HB2 ALA 25 HB2 ALA 25 -20.773 -6.601 -3.427 99 HB3 ALA 25 HB3 ALA 25 -22.293 -6.560 -2.533 100 H GLU 26 H GLU 26 -20.618 -7.044 -5.993 101 HA GLU 26 HA GLU 26 -19.355 -4.682 -6.848 102 HB2 GLU 26 HB2 GLU 26 -18.202 -6.848 -6.688 103 HB3 GLU 26 HB3 GLU 26 -19.144 -7.447 -8.054 104 HG2 GLU 26 HG2 GLU 26 -18.196 -5.716 -9.505 105 HG3 GLU 26 HG3 GLU 26 -17.316 -5.030 -8.147 106 H ARG 27 H ARG 27 -21.773 -6.734 -8.476 107 HA ARG 27 HA ARG 27 -21.619 -5.397 -10.998 108 HB2 ARG 27 HB2 ARG 27 -22.661 -7.627 -10.730 109 HB3 ARG 27 HB3 ARG 27 -23.956 -6.884 -9.776 110 HG2 ARG 27 HG2 ARG 27 -24.542 -5.442 -11.707 111 HG3 ARG 27 HG3 ARG 27 -23.275 -6.220 -12.664 112 HD2 ARG 27 HD2 ARG 27 -25.610 -7.685 -11.390 113 HD3 ARG 27 HD3 ARG 27 -25.594 -7.125 -13.061 114 HE ARG 27 HE ARG 27 -23.295 -8.694 -12.640 115 HH11 ARG 27 HH11 ARG 27 -26.767 -9.003 -12.773 116 HH12 ARG 27 HH12 ARG 27 -26.692 -10.727 -12.917 117 HH21 ARG 27 HH21 ARG 27 -23.263 -10.795 -13.389 118 HH22 ARG 27 HH22 ARG 27 -24.743 -11.627 -13.739 119 H VAL 28 H VAL 28 -23.763 -4.995 -8.188 120 HA VAL 28 HA VAL 28 -25.340 -2.924 -9.304 121 HB VAL 28 HB VAL 28 -26.096 -4.243 -7.390 122 HG11 VAL 28 HG11 VAL 28 -25.167 -3.945 -5.177 123 HG12 VAL 28 HG12 VAL 28 -24.028 -2.742 -5.766 124 HG13 VAL 28 HG13 VAL 28 -23.873 -4.416 -6.275 125 HG21 VAL 28 HG21 VAL 28 -27.161 -2.101 -7.669 126 HG22 VAL 28 HG22 VAL 28 -25.819 -1.271 -6.869 127 HG23 VAL 28 HG23 VAL 28 -26.872 -2.345 -5.941 128 H PHE 29 H PHE 29 -22.349 -3.051 -7.580 129 HA PHE 29 HA PHE 29 -22.111 -0.587 -6.460 130 HB2 PHE 29 HB2 PHE 29 -20.495 -2.179 -5.947 131 HB3 PHE 29 HB3 PHE 29 -20.129 -2.501 -7.632 132 HD1 PHE 29 HD1 PHE 29 -20.317 0.735 -5.756 133 HD2 PHE 29 HD2 PHE 29 -17.805 -2.285 -7.379 134 HE1 PHE 29 HE1 PHE 29 -18.376 2.303 -6.030 135 HE2 PHE 29 HE2 PHE 29 -15.839 -1.037 -6.590 136 HZ PHE 29 HZ PHE 29 -16.117 1.374 -6.051 137 HA PRO 30 HA PRO 30 -20.399 1.455 -10.550 138 HB2 PRO 30 HB2 PRO 30 -20.826 0.035 -12.864 139 HB3 PRO 30 HB3 PRO 30 -19.299 0.030 -11.967 140 HG2 PRO 30 HG2 PRO 30 -21.495 -1.977 -11.983 141 HG3 PRO 30 HG3 PRO 30 -19.742 -2.224 -11.954 142 HD2 PRO 30 HD2 PRO 30 -21.308 -2.438 -9.720 143 HD3 PRO 30 HD3 PRO 30 -19.608 -1.917 -9.658 144 H TYR 31 H TYR 31 -23.235 -0.652 -10.627 145 HA TYR 31 HA TYR 31 -24.680 0.797 -12.601 146 HB2 TYR 31 HB2 TYR 31 -25.305 -1.483 -12.072 147 HB3 TYR 31 HB3 TYR 31 -25.662 -1.038 -10.403 148 HD1 TYR 31 HD1 TYR 31 -26.617 -0.264 -13.931 149 HD2 TYR 31 HD2 TYR 31 -27.860 -0.425 -9.824 150 HE1 TYR 31 HE1 TYR 31 -28.934 0.284 -14.613 151 HE2 TYR 31 HE2 TYR 31 -30.186 0.111 -10.512 152 HH TYR 31 HH TYR 31 -31.402 -0.309 -13.259 153 H SER 32 H SER 32 -24.668 0.883 -9.079 154 HA SER 32 HA SER 32 -25.532 3.611 -8.922 155 HB2 SER 32 HB2 SER 32 -27.533 1.444 -8.735 156 HB3 SER 32 HB3 SER 32 -27.584 2.635 -7.439 157 HG SER 32 HG SER 32 -27.442 3.382 -10.148 158 HA PRO 33 HA PRO 33 -23.031 2.605 -5.262 159 HB2 PRO 33 HB2 PRO 33 -23.757 5.457 -4.686 160 HB3 PRO 33 HB3 PRO 33 -22.174 4.666 -4.609 161 HG2 PRO 33 HG2 PRO 33 -22.795 6.287 -6.618 162 HG3 PRO 33 HG3 PRO 33 -21.855 4.811 -6.899 163 HD2 PRO 33 HD2 PRO 33 -24.734 5.358 -7.507 164 HD3 PRO 33 HD3 PRO 33 -23.555 4.375 -8.405 165 H GLU 34 H GLU 34 -26.097 4.378 -5.214 166 HA GLU 34 HA GLU 34 -26.664 4.066 -2.467 167 HB2 GLU 34 HB2 GLU 34 -28.472 4.534 -4.851 168 HB3 GLU 34 HB3 GLU 34 -29.021 4.601 -3.180 169 HG2 GLU 34 HG2 GLU 34 -27.446 6.397 -2.691 170 HG3 GLU 34 HG3 GLU 34 -26.777 6.297 -4.312 171 H LEU 35 H LEU 35 -27.625 2.148 -5.292 172 HA LEU 35 HA LEU 35 -29.192 0.242 -3.881 173 HB2 LEU 35 HB2 LEU 35 -27.746 0.125 -6.525 174 HB3 LEU 35 HB3 LEU 35 -28.733 -1.199 -5.914 175 HG LEU 35 HG LEU 35 -29.750 1.639 -6.242 176 HD11 LEU 35 HD11 LEU 35 -29.431 -0.557 -8.196 177 HD12 LEU 35 HD12 LEU 35 -29.630 1.182 -8.460 178 HD13 LEU 35 HD13 LEU 35 -31.043 0.169 -8.153 179 HD21 LEU 35 HD21 LEU 35 -30.999 -1.012 -5.524 180 HD22 LEU 35 HD22 LEU 35 -31.968 0.279 -6.243 181 HD23 LEU 35 HD23 LEU 35 -31.151 0.547 -4.706 182 H ALA 36 H ALA 36 -25.821 0.441 -4.792 183 HA ALA 36 HA ALA 36 -24.966 -2.075 -3.869 184 HB1 ALA 36 HB1 ALA 36 -23.216 0.381 -3.800 185 HB2 ALA 36 HB2 ALA 36 -23.722 -0.347 -5.332 186 HB3 ALA 36 HB3 ALA 36 -22.774 -1.285 -4.175 187 H LYS 37 H LYS 37 -25.393 1.019 -2.230 188 HA LYS 37 HA LYS 37 -24.012 0.511 0.165 189 HB2 LYS 37 HB2 LYS 37 -25.104 2.686 -0.516 190 HB3 LYS 37 HB3 LYS 37 -26.675 1.965 -0.197 191 HG2 LYS 37 HG2 LYS 37 -25.885 1.532 2.174 192 HG3 LYS 37 HG3 LYS 37 -24.463 2.500 1.797 193 HD2 LYS 37 HD2 LYS 37 -27.294 3.508 1.450 194 HD3 LYS 37 HD3 LYS 37 -26.366 3.755 2.918 195 HE2 LYS 37 HE2 LYS 37 -24.600 4.889 1.524 196 HE3 LYS 37 HE3 LYS 37 -25.716 4.800 0.153 197 HZ1 LYS 37 HZ1 LYS 37 -26.640 5.923 2.706 198 HZ2 LYS 37 HZ2 LYS 37 -27.174 6.255 1.136 199 HZ3 LYS 37 HZ3 LYS 37 -25.697 6.881 1.676 200 H ARG 38 H ARG 38 -27.427 -0.052 -0.700 201 HA ARG 38 HA ARG 38 -28.200 -1.019 1.837 202 HB2 ARG 38 HB2 ARG 38 -29.460 -1.189 -0.886 203 HB3 ARG 38 HB3 ARG 38 -30.241 -1.842 0.561 204 HG2 ARG 38 HG2 ARG 38 -30.099 0.392 1.620 205 HG3 ARG 38 HG3 ARG 38 -29.304 1.037 0.174 206 HD2 ARG 38 HD2 ARG 38 -31.306 0.500 -1.170 207 HD3 ARG 38 HD3 ARG 38 -32.101 -0.151 0.276 208 HE ARG 38 HE ARG 38 -31.211 2.556 0.663 209 HH11 ARG 38 HH11 ARG 38 -33.696 0.649 -0.853 210 HH12 ARG 38 HH12 ARG 38 -34.968 1.688 -0.294 211 HH21 ARG 38 HH21 ARG 38 -32.922 3.962 1.207 212 HH22 ARG 38 HH22 ARG 38 -34.364 3.852 0.256 213 H TYR 39 H TYR 39 -27.220 -2.668 -1.120 214 HA TYR 39 HA TYR 39 -27.724 -5.309 -0.245 215 HB2 TYR 39 HB2 TYR 39 -26.029 -4.094 -2.392 216 HB3 TYR 39 HB3 TYR 39 -25.902 -5.819 -2.041 217 HD1 TYR 39 HD1 TYR 39 -28.549 -3.192 -2.613 218 HD2 TYR 39 HD2 TYR 39 -27.309 -7.250 -3.185 219 HE1 TYR 39 HE1 TYR 39 -30.531 -3.592 -4.000 220 HE2 TYR 39 HE2 TYR 39 -29.386 -7.695 -4.459 221 HH TYR 39 HH TYR 39 -31.160 -5.874 -5.850 222 H VAL 40 H VAL 40 -24.743 -3.339 -0.089 223 HA VAL 40 HA VAL 40 -23.210 -5.423 1.045 224 HB VAL 40 HB VAL 40 -22.734 -2.449 1.163 225 HG11 VAL 40 HG11 VAL 40 -21.317 -3.031 2.842 226 HG12 VAL 40 HG12 VAL 40 -20.326 -3.737 1.560 227 HG13 VAL 40 HG13 VAL 40 -21.429 -4.749 2.474 228 HG21 VAL 40 HG21 VAL 40 -22.001 -4.679 -0.698 229 HG22 VAL 40 HG22 VAL 40 -20.813 -3.419 -0.418 230 HG23 VAL 40 HG23 VAL 40 -22.396 -3.005 -1.061 231 H GLU 41 H GLU 41 -25.142 -2.860 2.534 232 HA GLU 41 HA GLU 41 -24.167 -3.213 5.174 233 HB2 GLU 41 HB2 GLU 41 -26.775 -2.079 4.151 234 HB3 GLU 41 HB3 GLU 41 -26.306 -2.062 5.849 235 HG2 GLU 41 HG2 GLU 41 -24.294 -0.774 5.305 236 HG3 GLU 41 HG3 GLU 41 -24.684 -0.842 3.592 237 H LEU 42 H LEU 42 -26.748 -4.638 3.319 238 HA LEU 42 HA LEU 42 -27.669 -6.564 5.151 239 HB2 LEU 42 HB2 LEU 42 -28.790 -6.149 3.072 240 HB3 LEU 42 HB3 LEU 42 -27.356 -6.542 2.148 241 HG LEU 42 HG LEU 42 -27.517 -8.892 2.947 242 HD11 LEU 42 HD11 LEU 42 -28.994 -8.081 4.999 243 HD12 LEU 42 HD12 LEU 42 -29.225 -9.679 4.298 244 HD13 LEU 42 HD13 LEU 42 -30.320 -8.362 3.869 245 HD21 LEU 42 HD21 LEU 42 -29.594 -9.407 1.591 246 HD22 LEU 42 HD22 LEU 42 -28.430 -8.348 0.793 247 HD23 LEU 42 HD23 LEU 42 -29.888 -7.670 1.519 248 H ALA 43 H ALA 43 -24.854 -6.642 2.930 249 HA ALA 43 HA ALA 43 -24.152 -9.335 3.442 250 HB1 ALA 43 HB1 ALA 43 -23.354 -7.887 1.523 251 HB2 ALA 43 HB2 ALA 43 -22.112 -8.866 2.309 252 HB3 ALA 43 HB3 ALA 43 -22.229 -7.140 2.662 253 H LEU 44 H LEU 44 -23.160 -6.322 5.021 254 HA LEU 44 HA LEU 44 -21.206 -7.476 6.742 255 HB2 LEU 44 HB2 LEU 44 -22.765 -4.919 6.763 256 HB3 LEU 44 HB3 LEU 44 -21.854 -5.394 8.189 257 HG LEU 44 HG LEU 44 -20.665 -3.887 6.490 258 HD11 LEU 44 HD11 LEU 44 -18.840 -6.130 6.677 259 HD12 LEU 44 HD12 LEU 44 -19.740 -5.931 8.174 260 HD13 LEU 44 HD13 LEU 44 -18.805 -4.588 7.523 261 HD21 LEU 44 HD21 LEU 44 -21.474 -5.395 4.537 262 HD22 LEU 44 HD22 LEU 44 -20.114 -6.425 4.978 263 HD23 LEU 44 HD23 LEU 44 -19.837 -4.751 4.489 264 H LEU 45 H LEU 45 -24.672 -6.867 7.082 265 HA LEU 45 HA LEU 45 -24.961 -7.757 9.745 266 HB2 LEU 45 HB2 LEU 45 -26.705 -6.481 8.583 267 HB3 LEU 45 HB3 LEU 45 -26.945 -7.815 7.455 268 HG LEU 45 HG LEU 45 -27.542 -9.273 9.430 269 HD11 LEU 45 HD11 LEU 45 -26.565 -8.185 11.285 270 HD12 LEU 45 HD12 LEU 45 -28.292 -7.879 11.477 271 HD13 LEU 45 HD13 LEU 45 -27.234 -6.618 10.838 272 HD21 LEU 45 HD21 LEU 45 -29.769 -8.639 9.367 273 HD22 LEU 45 HD22 LEU 45 -29.161 -7.805 7.945 274 HD23 LEU 45 HD23 LEU 45 -29.399 -6.920 9.448 275 H VAL 46 H VAL 46 -25.145 -9.419 6.646 276 HA VAL 46 HA VAL 46 -25.720 -12.010 7.613 277 HB VAL 46 HB VAL 46 -24.322 -11.037 5.107 278 HG11 VAL 46 HG11 VAL 46 -24.706 -13.331 4.220 279 HG12 VAL 46 HG12 VAL 46 -25.206 -13.848 5.839 280 HG13 VAL 46 HG13 VAL 46 -23.545 -13.315 5.552 281 HG21 VAL 46 HG21 VAL 46 -27.027 -12.344 5.341 282 HG22 VAL 46 HG22 VAL 46 -26.418 -11.287 4.074 283 HG23 VAL 46 HG23 VAL 46 -26.842 -10.627 5.646 284 H GLN 47 H GLN 47 -22.681 -10.241 7.125 285 HA GLN 47 HA GLN 47 -20.971 -12.460 7.148 286 HB2 GLN 47 HB2 GLN 47 -20.334 -10.232 6.306 287 HB3 GLN 47 HB3 GLN 47 -20.406 -9.585 7.945 288 HG2 GLN 47 HG2 GLN 47 -18.594 -11.168 8.617 289 HG3 GLN 47 HG3 GLN 47 -18.511 -11.738 6.945 290 HE21 GLN 47 HE21 GLN 47 -16.433 -10.941 6.471 291 HE22 GLN 47 HE22 GLN 47 -16.076 -9.288 6.379 292 H GLN 48 H GLN 48 -21.863 -10.240 9.812 293 HA GLN 48 HA GLN 48 -20.341 -11.563 11.802 294 HB2 GLN 48 HB2 GLN 48 -21.631 -10.330 13.416 295 HB3 GLN 48 HB3 GLN 48 -21.269 -9.269 12.060 296 HG2 GLN 48 HG2 GLN 48 -23.516 -9.685 11.135 297 HG3 GLN 48 HG3 GLN 48 -23.880 -10.748 12.485 298 HE21 GLN 48 HE21 GLN 48 -25.551 -9.420 13.498 299 HE22 GLN 48 HE22 GLN 48 -25.388 -7.749 13.695 300 H LYS 49 H LYS 49 -23.679 -11.980 10.689 301 HA LYS 49 HA LYS 49 -24.457 -13.899 12.620 302 HB2 LYS 49 HB2 LYS 49 -25.490 -13.295 9.840 303 HB3 LYS 49 HB3 LYS 49 -26.252 -14.460 10.940 304 HG2 LYS 49 HG2 LYS 49 -26.513 -12.707 12.644 305 HG3 LYS 49 HG3 LYS 49 -25.725 -11.536 11.584 306 HD2 LYS 49 HD2 LYS 49 -27.541 -11.811 9.932 307 HD3 LYS 49 HD3 LYS 49 -28.323 -12.985 10.990 308 HE2 LYS 49 HE2 LYS 49 -28.535 -11.276 12.748 309 HE3 LYS 49 HE3 LYS 49 -27.726 -10.099 11.718 310 HZ1 LYS 49 HZ1 LYS 49 -29.880 -9.628 11.245 311 HZ2 LYS 49 HZ2 LYS 49 -30.424 -11.223 11.511 312 HZ3 LYS 49 HZ3 LYS 49 -29.611 -10.828 10.065 313 H ALA 50 H ALA 50 -23.088 -14.188 9.376 314 HA ALA 50 HA ALA 50 -22.975 -17.054 9.395 315 HB1 ALA 50 HB1 ALA 50 -21.372 -15.118 7.700 316 HB2 ALA 50 HB2 ALA 50 -22.997 -15.688 7.304 317 HB3 ALA 50 HB3 ALA 50 -21.661 -16.831 7.379 318 H LYS 51 H LYS 51 -21.099 -14.628 10.906 319 HA LYS 51 HA LYS 51 -19.111 -14.627 12.020 320 HB2 LYS 51 HB2 LYS 51 -19.866 -17.533 12.378 321 HB3 LYS 51 HB3 LYS 51 -18.569 -16.724 13.256 322 HG2 LYS 51 HG2 LYS 51 -21.461 -15.833 13.302 323 HG3 LYS 51 HG3 LYS 51 -20.699 -16.824 14.545 324 HD2 LYS 51 HD2 LYS 51 -19.047 -15.042 14.970 325 HD3 LYS 51 HD3 LYS 51 -19.798 -14.040 13.727 326 HE2 LYS 51 HE2 LYS 51 -21.906 -14.026 15.004 327 HE3 LYS 51 HE3 LYS 51 -21.168 -15.041 16.246 328 HZ1 LYS 51 HZ1 LYS 51 -20.333 -13.237 17.180 329 HZ2 LYS 51 HZ2 LYS 51 -21.063 -12.261 15.999 330 HZ3 LYS 51 HZ3 LYS 51 -19.490 -12.846 15.758 331 H VAL 52 H VAL 52 -18.636 -14.615 9.369 332 HA VAL 52 HA VAL 52 -16.331 -16.461 9.096 333 HB VAL 52 HB VAL 52 -16.555 -16.055 6.634 334 HG11 VAL 52 HG11 VAL 52 -18.196 -17.674 8.354 335 HG12 VAL 52 HG12 VAL 52 -17.603 -18.034 6.733 336 HG13 VAL 52 HG13 VAL 52 -19.137 -17.189 6.941 337 HG21 VAL 52 HG21 VAL 52 -17.968 -14.503 5.843 338 HG22 VAL 52 HG22 VAL 52 -18.394 -14.067 7.493 339 HG23 VAL 52 HG23 VAL 52 -19.328 -15.288 6.642 340 H LYS 53 H LYS 53 -14.397 -15.613 8.987 341 HA LYS 53 HA LYS 53 -14.083 -12.694 8.975 342 HB2 LYS 53 HB2 LYS 53 -13.012 -13.999 10.781 343 HB3 LYS 53 HB3 LYS 53 -12.069 -14.874 9.582 344 HG2 LYS 53 HG2 LYS 53 -11.023 -12.772 8.857 345 HG3 LYS 53 HG3 LYS 53 -12.001 -11.869 10.007 346 HD2 LYS 53 HD2 LYS 53 -10.966 -13.142 11.865 347 HD3 LYS 53 HD3 LYS 53 -9.973 -14.022 10.701 348 HE2 LYS 53 HE2 LYS 53 -8.928 -11.910 9.966 349 HE3 LYS 53 HE3 LYS 53 -9.933 -11.016 11.115 350 HZ1 LYS 53 HZ1 LYS 53 -8.930 -12.361 12.909 351 HZ2 LYS 53 HZ2 LYS 53 -7.799 -11.396 12.081 352 HZ3 LYS 53 HZ3 LYS 53 -7.884 -13.065 11.763 353 H ILE 54 H ILE 54 -13.324 -11.635 7.273 354 HA ILE 54 HA ILE 54 -11.726 -13.098 5.266 355 HB ILE 54 HB ILE 54 -12.866 -11.100 3.789 356 HG12 ILE 54 HG12 ILE 54 -14.992 -12.150 5.683 357 HG13 ILE 54 HG13 ILE 54 -14.424 -10.485 5.582 358 HG21 ILE 54 HG21 ILE 54 -13.864 -13.932 4.206 359 HG22 ILE 54 HG22 ILE 54 -12.574 -13.435 3.119 360 HG23 ILE 54 HG23 ILE 54 -14.229 -12.924 2.811 361 HD11 ILE 54 HD11 ILE 54 -15.165 -10.475 3.161 362 HD12 ILE 54 HD12 ILE 54 -16.477 -10.621 4.331 363 HD13 ILE 54 HD13 ILE 54 -15.916 -12.045 3.454 364 HA PRO 55 HA PRO 55 -9.012 -10.097 7.099 365 HB2 PRO 55 HB2 PRO 55 -7.178 -11.003 4.898 366 HB3 PRO 55 HB3 PRO 55 -6.866 -10.852 6.641 367 HG2 PRO 55 HG2 PRO 55 -7.298 -13.224 5.476 368 HG3 PRO 55 HG3 PRO 55 -7.856 -12.863 7.120 369 HD2 PRO 55 HD2 PRO 55 -9.441 -13.127 4.616 370 HD3 PRO 55 HD3 PRO 55 -9.929 -13.403 6.301 371 H ARG 56 H ARG 56 -9.315 -10.268 3.565 372 HA ARG 56 HA ARG 56 -9.084 -7.325 3.498 373 HB2 ARG 56 HB2 ARG 56 -7.950 -9.374 1.596 374 HB3 ARG 56 HB3 ARG 56 -8.005 -7.636 1.250 375 HG2 ARG 56 HG2 ARG 56 -6.741 -7.188 3.336 376 HG3 ARG 56 HG3 ARG 56 -6.678 -8.917 3.671 377 HD2 ARG 56 HD2 ARG 56 -5.503 -7.623 1.194 378 HD3 ARG 56 HD3 ARG 56 -4.582 -8.018 2.644 379 HE ARG 56 HE ARG 56 -5.488 -9.874 0.630 380 HH11 ARG 56 HH11 ARG 56 -4.776 -9.558 4.019 381 HH12 ARG 56 HH12 ARG 56 -3.874 -11.023 4.089 382 HH21 ARG 56 HH21 ARG 56 -4.706 -11.985 0.894 383 HH22 ARG 56 HH22 ARG 56 -4.661 -12.587 2.510 384 H LYS 57 H LYS 57 -11.020 -10.035 2.396 385 HA LYS 57 HA LYS 57 -11.738 -8.985 -0.074 386 HB2 LYS 57 HB2 LYS 57 -13.308 -10.854 1.698 387 HB3 LYS 57 HB3 LYS 57 -13.774 -10.456 0.046 388 HG2 LYS 57 HG2 LYS 57 -11.617 -11.353 -0.779 389 HG3 LYS 57 HG3 LYS 57 -11.169 -11.774 0.888 390 HD2 LYS 57 HD2 LYS 57 -13.171 -13.217 1.063 391 HD3 LYS 57 HD3 LYS 57 -13.630 -12.787 -0.584 392 HE2 LYS 57 HE2 LYS 57 -11.569 -13.830 -1.437 393 HE3 LYS 57 HE3 LYS 57 -11.086 -14.246 0.208 394 HZ1 LYS 57 HZ1 LYS 57 -12.384 -16.019 0.161 395 HZ2 LYS 57 HZ2 LYS 57 -12.678 -15.732 -1.486 396 HZ3 LYS 57 HZ3 LYS 57 -13.737 -15.111 -0.315 397 H TRP 58 H TRP 58 -13.514 -8.556 3.026 398 HA TRP 58 HA TRP 58 -15.063 -6.480 1.611 399 HB2 TRP 58 HB2 TRP 58 -15.709 -8.238 3.889 400 HB3 TRP 58 HB3 TRP 58 -16.209 -6.554 4.076 401 HD1 TRP 58 HD1 TRP 58 -17.061 -9.717 2.272 402 HE1 TRP 58 HE1 TRP 58 -19.118 -9.339 0.734 403 HE3 TRP 58 HE3 TRP 58 -16.554 -4.786 1.666 404 HZ2 TRP 58 HZ2 TRP 58 -20.223 -7.054 -0.740 405 HZ3 TRP 58 HZ3 TRP 58 -18.002 -3.551 0.050 406 HH2 TRP 58 HH2 TRP 58 -19.343 -4.871 -1.563 407 H LYS 59 H LYS 59 -12.698 -7.130 4.025 408 HA LYS 59 HA LYS 59 -13.112 -4.905 5.688 409 HB2 LYS 59 HB2 LYS 59 -11.946 -6.970 6.361 410 HB3 LYS 59 HB3 LYS 59 -10.599 -6.538 5.318 411 HG2 LYS 59 HG2 LYS 59 -10.178 -4.530 6.659 412 HG3 LYS 59 HG3 LYS 59 -11.572 -4.894 7.675 413 HD2 LYS 59 HD2 LYS 59 -10.520 -7.049 8.310 414 HD3 LYS 59 HD3 LYS 59 -9.125 -6.652 7.310 415 HE2 LYS 59 HE2 LYS 59 -8.656 -4.684 8.698 416 HE3 LYS 59 HE3 LYS 59 -10.073 -5.033 9.693 417 HZ1 LYS 59 HZ1 LYS 59 -9.013 -7.296 10.041 418 HZ2 LYS 59 HZ2 LYS 59 -8.279 -5.981 10.828 419 HZ3 LYS 59 HZ3 LYS 59 -7.594 -6.617 9.413 420 H ARG 60 H ARG 60 -10.972 -5.433 2.963 421 HA ARG 60 HA ARG 60 -9.894 -2.720 3.167 422 HB2 ARG 60 HB2 ARG 60 -9.082 -5.117 1.523 423 HB3 ARG 60 HB3 ARG 60 -8.301 -3.546 1.411 424 HG2 ARG 60 HG2 ARG 60 -8.582 -5.103 3.998 425 HG3 ARG 60 HG3 ARG 60 -7.153 -5.171 2.966 426 HD2 ARG 60 HD2 ARG 60 -6.877 -2.727 3.205 427 HD3 ARG 60 HD3 ARG 60 -8.288 -2.667 4.264 428 HE ARG 60 HE ARG 60 -5.693 -3.924 4.908 429 HH11 ARG 60 HH11 ARG 60 -8.968 -3.118 5.958 430 HH12 ARG 60 HH12 ARG 60 -8.268 -2.293 7.312 431 HH21 ARG 60 HH21 ARG 60 -5.289 -4.068 7.089 432 HH22 ARG 60 HH22 ARG 60 -6.371 -3.271 8.182 433 H ARG 61 H ARG 61 -12.527 -4.032 1.688 434 HA ARG 61 HA ARG 61 -12.229 -2.283 -0.673 435 HB2 ARG 61 HB2 ARG 61 -13.571 -4.974 -0.539 436 HB3 ARG 61 HB3 ARG 61 -13.719 -3.864 -1.899 437 HG2 ARG 61 HG2 ARG 61 -11.263 -3.874 -2.172 438 HG3 ARG 61 HG3 ARG 61 -11.123 -5.007 -0.835 439 HD2 ARG 61 HD2 ARG 61 -12.702 -5.572 -3.354 440 HD3 ARG 61 HD3 ARG 61 -11.032 -6.066 -3.124 441 HE ARG 61 HE ARG 61 -12.585 -7.031 -0.966 442 HH11 ARG 61 HH11 ARG 61 -11.758 -7.646 -4.282 443 HH12 ARG 61 HH12 ARG 61 -12.269 -9.298 -4.207 444 HH21 ARG 61 HH21 ARG 61 -13.842 -8.912 -1.147 445 HH22 ARG 61 HH22 ARG 61 -13.883 -9.778 -2.649 446 H TYR 62 H TYR 62 -13.523 -1.676 1.996 447 HA TYR 62 HA TYR 62 -15.872 -0.529 0.703 448 HB2 TYR 62 HB2 TYR 62 -17.310 -1.045 2.651 449 HB3 TYR 62 HB3 TYR 62 -16.865 -2.426 1.663 450 HD1 TYR 62 HD1 TYR 62 -14.100 -1.358 3.795 451 HD2 TYR 62 HD2 TYR 62 -17.537 -3.865 3.522 452 HE1 TYR 62 HE1 TYR 62 -13.686 -2.144 6.094 453 HE2 TYR 62 HE2 TYR 62 -17.092 -4.730 5.780 454 HH TYR 62 HH TYR 62 -15.271 -3.788 7.973 455 H CYS 63 H CYS 63 -16.997 1.066 1.818 456 HA CYS 63 HA CYS 63 -15.383 3.113 3.036 457 HB2 CYS 63 HB2 CYS 63 -17.169 3.705 1.501 458 HB3 CYS 63 HB3 CYS 63 -18.337 2.826 2.479 459 H LYS 64 H LYS 64 -15.639 4.025 5.062 460 HA LYS 64 HA LYS 64 -16.003 2.307 7.255 461 HB2 LYS 64 HB2 LYS 64 -16.113 5.333 7.053 462 HB3 LYS 64 HB3 LYS 64 -15.956 4.447 8.563 463 HG2 LYS 64 HG2 LYS 64 -13.988 4.315 6.259 464 HG3 LYS 64 HG3 LYS 64 -13.782 5.307 7.702 465 HD2 LYS 64 HD2 LYS 64 -13.809 3.267 9.105 466 HD3 LYS 64 HD3 LYS 64 -13.999 2.280 7.655 467 HE2 LYS 64 HE2 LYS 64 -11.860 3.098 6.785 468 HE3 LYS 64 HE3 LYS 64 -11.661 4.135 8.194 469 HZ1 LYS 64 HZ1 LYS 64 -12.163 1.305 8.684 470 HZ2 LYS 64 HZ2 LYS 64 -11.165 2.395 9.519 471 HZ3 LYS 64 HZ3 LYS 64 -10.641 1.712 8.057 472 H LYS 65 H LYS 65 -18.184 4.744 5.816 473 HA LYS 65 HA LYS 65 -20.286 4.013 7.726 474 HB2 LYS 65 HB2 LYS 65 -19.935 6.415 7.276 475 HB3 LYS 65 HB3 LYS 65 -20.351 6.133 5.591 476 HG2 LYS 65 HG2 LYS 65 -22.585 5.329 6.241 477 HG3 LYS 65 HG3 LYS 65 -22.168 5.541 7.934 478 HD2 LYS 65 HD2 LYS 65 -21.906 7.965 7.578 479 HD3 LYS 65 HD3 LYS 65 -22.327 7.765 5.874 480 HE2 LYS 65 HE2 LYS 65 -24.516 6.840 6.550 481 HE3 LYS 65 HE3 LYS 65 -24.089 7.020 8.256 482 HZ1 LYS 65 HZ1 LYS 65 -24.853 9.035 6.291 483 HZ2 LYS 65 HZ2 LYS 65 -23.602 9.463 7.358 484 HZ3 LYS 65 HZ3 LYS 65 -25.116 8.985 7.970 485 H CYS 66 H CYS 66 -19.720 3.983 4.200 486 HA CYS 66 HA CYS 66 -22.421 3.212 3.653 487 HB2 CYS 66 HB2 CYS 66 -20.038 3.162 1.780 488 HB3 CYS 66 HB3 CYS 66 -21.733 3.004 1.315 489 H HIS 67 H HIS 67 -19.433 1.558 4.115 490 HA HIS 67 HA HIS 67 -18.846 -0.649 4.286 491 HB2 HIS 67 HB2 HIS 67 -21.847 -1.121 4.332 492 HB3 HIS 67 HB3 HIS 67 -20.611 -2.323 4.704 493 HD1 HIS 67 HD1 HIS 67 -18.810 -1.409 6.667 494 HD2 HIS 67 HD2 HIS 67 -22.681 0.202 6.605 495 HE1 HIS 67 HE1 HIS 67 -19.096 -0.057 8.803 496 HE2 HIS 67 HE2 HIS 67 -21.299 1.196 8.584 497 H ALA 68 H ALA 68 -20.135 0.819 1.755 498 HA ALA 68 HA ALA 68 -20.961 -1.355 0.027 499 HB1 ALA 68 HB1 ALA 68 -20.227 1.346 -1.017 500 HB2 ALA 68 HB2 ALA 68 -21.684 1.205 -0.014 501 HB3 ALA 68 HB3 ALA 68 -21.534 0.268 -1.511 502 H PHE 69 H PHE 69 -19.819 -1.668 -2.082 503 HA PHE 69 HA PHE 69 -17.090 -2.418 -1.572 504 HB2 PHE 69 HB2 PHE 69 -18.773 -3.395 -3.288 505 HB3 PHE 69 HB3 PHE 69 -18.395 -1.986 -4.271 506 HD1 PHE 69 HD1 PHE 69 -15.604 -1.594 -4.401 507 HD2 PHE 69 HD2 PHE 69 -17.610 -5.329 -3.750 508 HE1 PHE 69 HE1 PHE 69 -13.490 -3.003 -4.603 509 HE2 PHE 69 HE2 PHE 69 -16.155 -6.188 -5.611 510 HZ PHE 69 HZ PHE 69 -13.907 -5.159 -5.883 511 H LEU 70 H LEU 70 -15.328 -1.068 -1.723 512 HA LEU 70 HA LEU 70 -15.845 1.625 -2.830 513 HB2 LEU 70 HB2 LEU 70 -15.464 1.431 -0.380 514 HB3 LEU 70 HB3 LEU 70 -13.854 0.787 -0.707 515 HG LEU 70 HG LEU 70 -13.232 2.887 -1.837 516 HD11 LEU 70 HD11 LEU 70 -15.107 3.847 -2.776 517 HD12 LEU 70 HD12 LEU 70 -14.993 4.821 -1.308 518 HD13 LEU 70 HD13 LEU 70 -16.141 3.478 -1.394 519 HD21 LEU 70 HD21 LEU 70 -13.507 2.500 0.876 520 HD22 LEU 70 HD22 LEU 70 -14.382 4.008 0.640 521 HD23 LEU 70 HD23 LEU 70 -12.703 3.878 0.140 522 H VAL 71 H VAL 71 -15.133 1.830 -4.682 523 HA VAL 71 HA VAL 71 -12.258 1.557 -5.213 524 HB VAL 71 HB VAL 71 -14.497 0.769 -7.107 525 HG11 VAL 71 HG11 VAL 71 -12.801 0.421 -8.810 526 HG12 VAL 71 HG12 VAL 71 -11.528 0.934 -7.702 527 HG13 VAL 71 HG13 VAL 71 -12.733 2.098 -8.273 528 HG21 VAL 71 HG21 VAL 71 -13.496 -1.412 -7.077 529 HG22 VAL 71 HG22 VAL 71 -13.662 -0.904 -5.400 530 HG23 VAL 71 HG23 VAL 71 -12.091 -0.818 -6.189 531 HA PRO 72 HA PRO 72 -13.091 5.884 -6.155 532 HB2 PRO 72 HB2 PRO 72 -10.708 5.785 -7.920 533 HB3 PRO 72 HB3 PRO 72 -11.053 6.837 -6.535 534 HG2 PRO 72 HG2 PRO 72 -9.271 4.823 -6.430 535 HG3 PRO 72 HG3 PRO 72 -10.216 5.341 -5.026 536 HD2 PRO 72 HD2 PRO 72 -10.559 2.918 -6.745 537 HD3 PRO 72 HD3 PRO 72 -10.888 3.129 -5.014 538 H GLY 73 H GLY 73 -14.107 7.002 -7.713 539 HA2 GLY 73 HA2 GLY 73 -14.662 7.637 -9.916 540 HA3 GLY 73 HA3 GLY 73 -14.140 6.062 -10.489 541 H ILE 74 H ILE 74 -15.894 5.002 -7.991 542 HA ILE 74 HA ILE 74 -18.184 4.741 -9.839 543 HB ILE 74 HB ILE 74 -17.065 2.742 -7.879 544 HG12 ILE 74 HG12 ILE 74 -17.399 2.574 -10.882 545 HG13 ILE 74 HG13 ILE 74 -15.906 3.096 -10.115 546 HG21 ILE 74 HG21 ILE 74 -19.604 2.826 -9.503 547 HG22 ILE 74 HG22 ILE 74 -19.420 2.425 -7.804 548 HG23 ILE 74 HG23 ILE 74 -18.879 1.288 -9.033 549 HD11 ILE 74 HD11 ILE 74 -16.774 0.665 -8.858 550 HD12 ILE 74 HD12 ILE 74 -15.302 0.964 -9.779 551 HD13 ILE 74 HD13 ILE 74 -16.766 0.434 -10.605 552 H ASN 75 H ASN 75 -17.753 3.970 -6.399 553 HA ASN 75 HA ASN 75 -20.325 5.295 -5.809 554 HB2 ASN 75 HB2 ASN 75 -20.312 4.155 -3.704 555 HB3 ASN 75 HB3 ASN 75 -20.039 2.966 -4.961 556 HD21 ASN 75 HD21 ASN 75 -17.082 4.100 -5.078 557 HD22 ASN 75 HD22 ASN 75 -16.390 3.058 -3.930 558 H ALA 76 H ALA 76 -17.187 5.939 -6.019 559 HA ALA 76 HA ALA 76 -17.160 8.082 -4.083 560 HB1 ALA 76 HB1 ALA 76 -15.335 7.247 -2.750 561 HB2 ALA 76 HB2 ALA 76 -15.127 5.850 -3.814 562 HB3 ALA 76 HB3 ALA 76 -16.557 5.970 -2.785 563 H ARG 77 H ARG 77 -15.362 9.493 -4.485 564 HA ARG 77 HA ARG 77 -13.867 8.882 -6.948 565 HB2 ARG 77 HB2 ARG 77 -15.855 10.418 -7.314 566 HB3 ARG 77 HB3 ARG 77 -15.024 11.599 -6.306 567 HG2 ARG 77 HG2 ARG 77 -13.071 11.507 -7.823 568 HG3 ARG 77 HG3 ARG 77 -13.910 10.331 -8.830 569 HD2 ARG 77 HD2 ARG 77 -15.737 12.038 -9.163 570 HD3 ARG 77 HD3 ARG 77 -14.724 13.205 -8.310 571 HE ARG 77 HE ARG 77 -13.379 11.917 -10.523 572 HH11 ARG 77 HH11 ARG 77 -15.530 14.481 -9.600 573 HH12 ARG 77 HH12 ARG 77 -15.225 15.418 -11.026 574 HH21 ARG 77 HH21 ARG 77 -12.713 13.323 -12.158 575 HH22 ARG 77 HH22 ARG 77 -13.534 14.829 -12.389 576 H VAL 78 H VAL 78 -11.777 9.564 -6.999 577 HA VAL 78 HA VAL 78 -10.749 10.724 -4.477 578 HB VAL 78 HB VAL 78 -10.313 8.250 -4.818 579 HG11 VAL 78 HG11 VAL 78 -8.252 9.119 -6.835 580 HG12 VAL 78 HG12 VAL 78 -9.851 8.586 -7.348 581 HG13 VAL 78 HG13 VAL 78 -8.800 7.496 -6.453 582 HG21 VAL 78 HG21 VAL 78 -7.713 9.750 -4.829 583 HG22 VAL 78 HG22 VAL 78 -8.231 8.410 -3.792 584 HG23 VAL 78 HG23 VAL 78 -8.877 10.035 -3.523 585 H ARG 79 H ARG 79 -9.620 12.473 -4.671 586 HA ARG 79 HA ARG 79 -8.519 13.265 -7.296 587 HB2 ARG 79 HB2 ARG 79 -9.058 14.899 -4.807 588 HB3 ARG 79 HB3 ARG 79 -8.292 15.514 -6.269 589 HG2 ARG 79 HG2 ARG 79 -10.310 14.958 -7.567 590 HG3 ARG 79 HG3 ARG 79 -11.072 14.317 -6.113 591 HD2 ARG 79 HD2 ARG 79 -10.085 17.173 -6.386 592 HD3 ARG 79 HD3 ARG 79 -11.750 16.682 -6.693 593 HE ARG 79 HE ARG 79 -10.988 15.774 -4.125 594 HH11 ARG 79 HH11 ARG 79 -11.420 18.757 -5.833 595 HH12 ARG 79 HH12 ARG 79 -11.974 19.623 -4.439 596 HH21 ARG 79 HH21 ARG 79 -11.839 16.902 -2.329 597 HH22 ARG 79 HH22 ARG 79 -11.904 18.633 -2.417 598 H LEU 80 H LEU 80 -6.338 13.352 -7.537 599 HA LEU 80 HA LEU 80 -4.713 12.685 -5.156 600 HB2 LEU 80 HB2 LEU 80 -4.047 12.375 -8.097 601 HB3 LEU 80 HB3 LEU 80 -3.066 11.823 -6.744 602 HG LEU 80 HG LEU 80 -5.275 10.542 -6.059 603 HD11 LEU 80 HD11 LEU 80 -6.964 10.781 -7.523 604 HD12 LEU 80 HD12 LEU 80 -6.011 9.832 -8.672 605 HD13 LEU 80 HD13 LEU 80 -5.921 11.600 -8.695 606 HD21 LEU 80 HD21 LEU 80 -3.407 9.700 -8.285 607 HD22 LEU 80 HD22 LEU 80 -4.530 8.608 -7.493 608 HD23 LEU 80 HD23 LEU 80 -3.244 9.363 -6.566 609 H ARG 81 H ARG 81 -3.501 14.246 -4.354 610 HA ARG 81 HA ARG 81 -2.966 16.632 -6.003 611 HB2 ARG 81 HB2 ARG 81 -3.260 16.349 -3.009 612 HB3 ARG 81 HB3 ARG 81 -2.655 17.804 -3.797 613 HG2 ARG 81 HG2 ARG 81 -4.735 17.979 -5.098 614 HG3 ARG 81 HG3 ARG 81 -5.351 16.505 -4.342 615 HD2 ARG 81 HD2 ARG 81 -5.217 17.615 -2.119 616 HD3 ARG 81 HD3 ARG 81 -4.641 19.091 -2.915 617 HE ARG 81 HE ARG 81 -7.121 18.150 -4.033 618 HH11 ARG 81 HH11 ARG 81 -5.705 19.972 -1.408 619 HH12 ARG 81 HH12 ARG 81 -7.225 20.624 -0.929 620 HH21 ARG 81 HH21 ARG 81 -8.379 20.208 -4.136 621 HH22 ARG 81 HH22 ARG 81 -8.865 20.728 -2.562 622 H GLN 82 H GLN 82 -0.908 17.415 -6.175 623 HA GLN 82 HA GLN 82 1.182 15.629 -5.080 624 HB2 GLN 82 HB2 GLN 82 1.151 17.099 -7.717 625 HB3 GLN 82 HB3 GLN 82 2.557 16.255 -7.060 626 HG2 GLN 82 HG2 GLN 82 -0.138 14.979 -7.650 627 HG3 GLN 82 HG3 GLN 82 1.298 14.839 -8.655 628 HE21 GLN 82 HE21 GLN 82 -0.314 13.476 -5.890 629 HE22 GLN 82 HE22 GLN 82 0.842 12.256 -5.681 630 H LYS 83 H LYS 83 1.882 16.497 -3.466 631 HA LYS 83 HA LYS 83 3.408 19.025 -3.625 632 HB2 LYS 83 HB2 LYS 83 1.986 17.842 -1.200 633 HB3 LYS 83 HB3 LYS 83 2.992 19.284 -1.195 634 HG2 LYS 83 HG2 LYS 83 0.440 18.979 -2.794 635 HG3 LYS 83 HG3 LYS 83 0.555 19.803 -1.253 636 HD2 LYS 83 HD2 LYS 83 2.134 21.421 -2.227 637 HD3 LYS 83 HD3 LYS 83 2.038 20.598 -3.775 638 HE2 LYS 83 HE2 LYS 83 -0.382 21.068 -3.881 639 HE3 LYS 83 HE3 LYS 83 -0.292 21.884 -2.323 640 HZ1 LYS 83 HZ1 LYS 83 1.455 23.337 -3.399 641 HZ2 LYS 83 HZ2 LYS 83 -0.151 23.568 -3.920 642 HZ3 LYS 83 HZ3 LYS 83 0.942 22.689 -4.889 643 H ARG 84 H ARG 84 5.306 18.609 -1.722 644 HA ARG 84 HA ARG 84 6.227 15.812 -2.239 645 HB2 ARG 84 HB2 ARG 84 7.438 18.183 -0.746 646 HB3 ARG 84 HB3 ARG 84 8.200 16.604 -0.912 647 HG2 ARG 84 HG2 ARG 84 8.332 16.894 -3.349 648 HG3 ARG 84 HG3 ARG 84 7.506 18.449 -3.214 649 HD2 ARG 84 HD2 ARG 84 9.327 19.300 -1.777 650 HD3 ARG 84 HD3 ARG 84 10.167 17.758 -1.932 651 HE ARG 84 HE ARG 84 9.668 18.799 -4.515 652 HH11 ARG 84 HH11 ARG 84 11.268 19.821 -1.622 653 HH12 ARG 84 HH12 ARG 84 12.642 20.462 -2.444 654 HH21 ARG 84 HH21 ARG 84 11.011 20.321 -5.497 655 HH22 ARG 84 HH22 ARG 84 12.309 21.029 -4.617 656 H MET 85 H MET 85 3.760 16.325 -0.852 657 HA MET 85 HA MET 85 4.536 14.122 0.889 658 HB2 MET 85 HB2 MET 85 3.327 16.607 1.773 659 HB3 MET 85 HB3 MET 85 2.167 15.305 1.964 660 HG2 MET 85 HG2 MET 85 5.017 15.166 2.994 661 HG3 MET 85 HG3 MET 85 3.652 15.717 3.963 662 HE1 MET 85 HE1 MET 85 5.253 13.403 5.156 663 HE2 MET 85 HE2 MET 85 3.890 12.412 5.674 664 HE3 MET 85 HE3 MET 85 3.781 14.171 5.755 665 HA PRO 86 HA PRO 86 1.454 13.010 -2.341 666 HB2 PRO 86 HB2 PRO 86 1.560 10.270 -1.182 667 HB3 PRO 86 HB3 PRO 86 1.779 10.792 -2.862 668 HG2 PRO 86 HG2 PRO 86 3.821 9.989 -1.310 669 HG3 PRO 86 HG3 PRO 86 4.004 11.208 -2.582 670 HD2 PRO 86 HD2 PRO 86 3.948 11.569 0.386 671 HD3 PRO 86 HD3 PRO 86 4.782 12.530 -0.855 672 H HIS 87 H HIS 87 -0.750 13.049 -2.211 673 HA HIS 87 HA HIS 87 -2.142 12.006 0.134 674 HB2 HIS 87 HB2 HIS 87 -2.017 14.909 -0.619 675 HB3 HIS 87 HB3 HIS 87 -3.466 14.259 0.153 676 HD1 HIS 87 HD1 HIS 87 0.263 14.718 0.735 677 HD2 HIS 87 HD2 HIS 87 -3.125 13.479 2.859 678 HE1 HIS 87 HE1 HIS 87 0.969 14.390 3.162 679 HE2 HIS 87 HE2 HIS 87 -1.133 13.937 4.492 680 H ILE 88 H ILE 88 -4.131 11.257 -0.313 681 HA ILE 88 HA ILE 88 -5.492 12.203 -2.745 682 HB ILE 88 HB ILE 88 -6.402 9.962 -3.136 683 HG12 ILE 88 HG12 ILE 88 -4.470 9.040 -0.986 684 HG13 ILE 88 HG13 ILE 88 -6.209 9.213 -0.739 685 HG21 ILE 88 HG21 ILE 88 -3.398 9.714 -2.913 686 HG22 ILE 88 HG22 ILE 88 -4.139 10.810 -4.073 687 HG23 ILE 88 HG23 ILE 88 -4.459 9.079 -4.169 688 HD11 ILE 88 HD11 ILE 88 -5.928 7.718 -3.115 689 HD12 ILE 88 HD12 ILE 88 -6.476 7.138 -1.543 690 HD13 ILE 88 HD13 ILE 88 -4.770 7.036 -1.973 691 H VAL 89 H VAL 89 -7.708 12.516 -2.564 692 HA VAL 89 HA VAL 89 -8.839 12.146 0.147 693 HB VAL 89 HB VAL 89 -10.293 14.126 -0.420 694 HG11 VAL 89 HG11 VAL 89 -7.903 14.022 0.807 695 HG12 VAL 89 HG12 VAL 89 -8.782 15.530 0.577 696 HG13 VAL 89 HG13 VAL 89 -7.479 15.097 -0.524 697 HG21 VAL 89 HG21 VAL 89 -9.478 15.652 -2.178 698 HG22 VAL 89 HG22 VAL 89 -9.986 14.111 -2.864 699 HG23 VAL 89 HG23 VAL 89 -8.269 14.461 -2.658 700 H VAL 90 H VAL 90 -10.742 11.114 0.354 701 HA VAL 90 HA VAL 90 -11.975 10.072 -2.127 702 HB VAL 90 HB VAL 90 -11.098 8.591 0.358 703 HG11 VAL 90 HG11 VAL 90 -13.197 7.627 -0.036 704 HG12 VAL 90 HG12 VAL 90 -12.121 6.596 -0.978 705 HG13 VAL 90 HG13 VAL 90 -13.079 7.841 -1.782 706 HG21 VAL 90 HG21 VAL 90 -10.028 7.139 -1.475 707 HG22 VAL 90 HG22 VAL 90 -9.305 8.717 -1.183 708 HG23 VAL 90 HG23 VAL 90 -10.367 8.474 -2.568 709 H LYS 91 H LYS 91 -14.116 10.103 -2.187 710 HA LYS 91 HA LYS 91 -15.683 10.284 0.271 711 HB2 LYS 91 HB2 LYS 91 -17.177 12.005 -0.866 712 HB3 LYS 91 HB3 LYS 91 -15.675 12.594 -0.197 713 HG2 LYS 91 HG2 LYS 91 -16.098 11.939 -3.128 714 HG3 LYS 91 HG3 LYS 91 -16.241 13.541 -2.435 715 HD2 LYS 91 HD2 LYS 91 -13.871 13.473 -1.767 716 HD3 LYS 91 HD3 LYS 91 -13.699 11.876 -2.481 717 HE2 LYS 91 HE2 LYS 91 -14.333 12.777 -4.679 718 HE3 LYS 91 HE3 LYS 91 -14.489 14.384 -3.971 719 HZ1 LYS 91 HZ1 LYS 91 -12.046 13.633 -3.146 720 HZ2 LYS 91 HZ2 LYS 91 -12.349 14.586 -4.519 721 HZ3 LYS 91 HZ3 LYS 91 -12.117 12.909 -4.681 722 H CYS 92 H CYS 92 -17.573 9.156 0.134 723 HA CYS 92 HA CYS 92 -18.371 8.154 -2.514 724 HB2 CYS 92 HB2 CYS 92 -20.034 7.480 -0.157 725 HB3 CYS 92 HB3 CYS 92 -19.729 6.565 -1.623 726 H LEU 93 H LEU 93 -20.208 8.571 -3.406 727 HA LEU 93 HA LEU 93 -21.986 10.699 -2.750 728 HB2 LEU 93 HB2 LEU 93 -22.294 8.135 -4.358 729 HB3 LEU 93 HB3 LEU 93 -23.530 9.396 -4.270 730 HG LEU 93 HG LEU 93 -20.671 9.925 -5.114 731 HD11 LEU 93 HD11 LEU 93 -21.422 8.542 -6.833 732 HD12 LEU 93 HD12 LEU 93 -21.807 10.151 -7.435 733 HD13 LEU 93 HD13 LEU 93 -23.076 9.142 -6.744 734 HD21 LEU 93 HD21 LEU 93 -22.169 11.885 -6.233 735 HD22 LEU 93 HD22 LEU 93 -21.410 12.018 -4.650 736 HD23 LEU 93 HD23 LEU 93 -23.107 11.576 -4.774 737 H GLU 94 H GLU 94 -21.755 7.287 -1.974 738 HA GLU 94 HA GLU 94 -24.296 6.806 -0.947 739 HB2 GLU 94 HB2 GLU 94 -21.574 5.652 -0.302 740 HB3 GLU 94 HB3 GLU 94 -23.070 4.926 0.267 741 HG2 GLU 94 HG2 GLU 94 -23.809 4.572 -2.040 742 HG3 GLU 94 HG3 GLU 94 -22.378 5.409 -2.642 743 H CYS 95 H CYS 95 -21.320 7.654 0.964 744 HA CYS 95 HA CYS 95 -23.052 8.062 3.273 745 HB2 CYS 95 HB2 CYS 95 -20.950 8.803 4.461 746 HB3 CYS 95 HB3 CYS 95 -21.054 7.115 3.985 747 H GLY 96 H GLY 96 -21.543 9.925 0.786 748 HA2 GLY 96 HA2 GLY 96 -21.689 12.182 0.296 749 HA3 GLY 96 HA3 GLY 96 -22.747 12.376 1.686 750 H HIS 97 H HIS 97 -19.792 10.759 2.252 751 HA HIS 97 HA HIS 97 -18.756 13.113 3.709 752 HB2 HIS 97 HB2 HIS 97 -18.818 10.195 4.511 753 HB3 HIS 97 HB3 HIS 97 -17.805 11.396 5.315 754 HD1 HIS 97 HD1 HIS 97 -21.504 10.848 4.453 755 HD2 HIS 97 HD2 HIS 97 -19.096 12.781 7.281 756 HE1 HIS 97 HE1 HIS 97 -23.049 11.823 6.232 757 HE2 HIS 97 HE2 HIS 97 -21.576 12.733 8.087 758 H ILE 98 H ILE 98 -16.557 13.376 3.877 759 HA ILE 98 HA ILE 98 -14.968 12.075 1.757 760 HB ILE 98 HB ILE 98 -15.265 14.410 1.316 761 HG12 ILE 98 HG12 ILE 98 -12.992 15.230 1.282 762 HG13 ILE 98 HG13 ILE 98 -12.512 14.088 2.532 763 HG21 ILE 98 HG21 ILE 98 -13.960 15.659 3.542 764 HG22 ILE 98 HG22 ILE 98 -15.283 14.665 4.148 765 HG23 ILE 98 HG23 ILE 98 -15.598 15.906 2.935 766 HD11 ILE 98 HD11 ILE 98 -12.250 12.419 1.036 767 HD12 ILE 98 HD12 ILE 98 -12.325 13.675 -0.198 768 HD13 ILE 98 HD13 ILE 98 -13.777 12.778 0.238 769 H MET 99 H MET 99 -13.396 10.859 2.306 770 HA MET 99 HA MET 99 -12.131 11.089 4.969 771 HB2 MET 99 HB2 MET 99 -13.295 8.932 4.561 772 HB3 MET 99 HB3 MET 99 -12.289 8.680 3.138 773 HG2 MET 99 HG2 MET 99 -10.271 8.681 4.532 774 HG3 MET 99 HG3 MET 99 -11.239 9.016 5.965 775 HE1 MET 99 HE1 MET 99 -10.553 6.928 3.026 776 HE2 MET 99 HE2 MET 99 -12.146 6.175 2.970 777 HE3 MET 99 HE3 MET 99 -10.752 5.251 3.521 778 H ARG 100 H ARG 100 -10.055 11.706 4.981 779 HA ARG 100 HA ARG 100 -8.596 11.991 2.474 780 HB2 ARG 100 HB2 ARG 100 -7.993 12.827 5.321 781 HB3 ARG 100 HB3 ARG 100 -6.897 13.104 3.961 782 HG2 ARG 100 HG2 ARG 100 -8.638 14.437 2.832 783 HG3 ARG 100 HG3 ARG 100 -9.747 14.133 4.172 784 HD2 ARG 100 HD2 ARG 100 -8.193 15.269 5.710 785 HD3 ARG 100 HD3 ARG 100 -7.079 15.554 4.392 786 HE ARG 100 HE ARG 100 -8.503 17.228 3.574 787 HH11 ARG 100 HH11 ARG 100 -9.999 15.438 6.136 788 HH12 ARG 100 HH12 ARG 100 -11.194 16.653 6.457 789 HH21 ARG 100 HH21 ARG 100 -10.321 18.566 3.714 790 HH22 ARG 100 HH22 ARG 100 -11.340 18.468 5.113 791 H TYR 101 H TYR 101 -6.837 10.817 1.909 792 HA TYR 101 HA TYR 101 -5.897 8.738 3.783 793 HB2 TYR 101 HB2 TYR 101 -7.306 8.203 1.479 794 HB3 TYR 101 HB3 TYR 101 -5.638 8.078 0.936 795 HD1 TYR 101 HD1 TYR 101 -7.884 6.967 3.737 796 HD2 TYR 101 HD2 TYR 101 -4.321 6.217 1.469 797 HE1 TYR 101 HE1 TYR 101 -7.709 4.715 4.754 798 HE2 TYR 101 HE2 TYR 101 -4.129 3.977 2.507 799 HH TYR 101 HH TYR 101 -6.495 2.363 3.744 800 HA PRO 102 HA PRO 102 -2.089 11.104 2.770 801 HB2 PRO 102 HB2 PRO 102 -1.134 9.574 5.131 802 HB3 PRO 102 HB3 PRO 102 -1.071 11.318 4.816 803 HG2 PRO 102 HG2 PRO 102 -2.739 10.241 6.617 804 HG3 PRO 102 HG3 PRO 102 -3.155 11.688 5.682 805 HD2 PRO 102 HD2 PRO 102 -4.094 8.858 5.315 806 HD3 PRO 102 HD3 PRO 102 -4.983 10.382 5.082 807 H TYR 103 H TYR 103 -0.306 10.347 1.672 808 HA TYR 103 HA TYR 103 0.368 7.500 1.838 809 HB2 TYR 103 HB2 TYR 103 -1.164 7.708 -0.076 810 HB3 TYR 103 HB3 TYR 103 -0.131 8.945 -0.775 811 HD1 TYR 103 HD1 TYR 103 -0.186 5.382 0.337 812 HD2 TYR 103 HD2 TYR 103 1.444 8.275 -2.359 813 HE1 TYR 103 HE1 TYR 103 1.244 3.624 -0.671 814 HE2 TYR 103 HE2 TYR 103 2.755 6.495 -3.469 815 HH TYR 103 HH TYR 103 4.010 4.449 -2.204 816 H ILE 104 H ILE 104 2.487 7.004 1.229 817 HA ILE 104 HA ILE 104 4.302 9.300 0.876 818 HB ILE 104 HB ILE 104 4.706 6.878 2.630 819 HG12 ILE 104 HG12 ILE 104 4.671 9.825 3.335 820 HG13 ILE 104 HG13 ILE 104 3.257 8.787 3.467 821 HG21 ILE 104 HG21 ILE 104 6.902 7.170 2.162 822 HG22 ILE 104 HG22 ILE 104 6.782 8.648 3.117 823 HG23 ILE 104 HG23 ILE 104 6.614 8.719 1.361 824 HD11 ILE 104 HD11 ILE 104 4.150 7.556 5.228 825 HD12 ILE 104 HD12 ILE 104 4.795 9.163 5.561 826 HD13 ILE 104 HD13 ILE 104 5.818 7.947 4.794 827 H LYS 105 H LYS 105 5.708 9.148 -0.732 828 HA LYS 105 HA LYS 105 5.399 7.549 -2.905 829 HB2 LYS 105 HB2 LYS 105 7.966 8.758 -1.858 830 HB3 LYS 105 HB3 LYS 105 7.794 8.062 -3.467 831 HG2 LYS 105 HG2 LYS 105 6.003 9.674 -3.986 832 HG3 LYS 105 HG3 LYS 105 6.160 10.373 -2.370 833 HD2 LYS 105 HD2 LYS 105 8.502 10.987 -2.859 834 HD3 LYS 105 HD3 LYS 105 8.356 10.279 -4.472 835 HE2 LYS 105 HE2 LYS 105 6.560 11.895 -5.010 836 HE3 LYS 105 HE3 LYS 105 6.711 12.598 -3.396 837 HZ1 LYS 105 HZ1 LYS 105 8.036 13.964 -4.668 838 HZ2 LYS 105 HZ2 LYS 105 8.608 12.698 -5.648 839 HZ3 LYS 105 HZ3 LYS 105 9.174 12.859 -4.051 Start of MODEL 16 1 H LYS 15 H LYS 15 -17.619 -16.027 4.499 2 HA LYS 15 HA LYS 15 -16.418 -16.540 2.601 3 HB2 LYS 15 HB2 LYS 15 -17.894 -19.051 3.438 4 HB3 LYS 15 HB3 LYS 15 -16.352 -19.017 2.580 5 HG2 LYS 15 HG2 LYS 15 -16.851 -17.814 5.314 6 HG3 LYS 15 HG3 LYS 15 -16.087 -19.375 5.027 7 HD2 LYS 15 HD2 LYS 15 -14.276 -18.250 3.775 8 HD3 LYS 15 HD3 LYS 15 -15.049 -16.688 4.066 9 HE2 LYS 15 HE2 LYS 15 -14.799 -17.009 6.497 10 HE3 LYS 15 HE3 LYS 15 -14.047 -18.579 6.219 11 HZ1 LYS 15 HZ1 LYS 15 -12.211 -17.299 6.363 12 HZ2 LYS 15 HZ2 LYS 15 -12.978 -15.897 5.783 13 HZ3 LYS 15 HZ3 LYS 15 -12.501 -17.119 4.699 14 H GLU 16 H GLU 16 -18.373 -19.158 1.653 15 HA GLU 16 HA GLU 16 -18.442 -18.351 -1.002 16 HB2 GLU 16 HB2 GLU 16 -20.123 -20.422 0.437 17 HB3 GLU 16 HB3 GLU 16 -20.035 -20.282 -1.318 18 HG2 GLU 16 HG2 GLU 16 -17.677 -20.792 0.537 19 HG3 GLU 16 HG3 GLU 16 -18.498 -22.021 -0.406 20 H ARG 17 H ARG 17 -21.088 -18.328 1.390 21 HA ARG 17 HA ARG 17 -23.115 -17.269 -0.161 22 HB2 ARG 17 HB2 ARG 17 -22.395 -16.861 2.762 23 HB3 ARG 17 HB3 ARG 17 -23.907 -16.301 2.058 24 HG2 ARG 17 HG2 ARG 17 -24.533 -18.589 1.490 25 HG3 ARG 17 HG3 ARG 17 -22.966 -19.189 2.017 26 HD2 ARG 17 HD2 ARG 17 -24.659 -19.512 3.789 27 HD3 ARG 17 HD3 ARG 17 -23.468 -18.313 4.305 28 HE ARG 17 HE ARG 17 -25.108 -16.677 4.194 29 HH11 ARG 17 HH11 ARG 17 -26.300 -19.695 2.893 30 HH12 ARG 17 HH12 ARG 17 -27.900 -19.354 3.441 31 HH21 ARG 17 HH21 ARG 17 -27.279 -16.080 4.277 32 HH22 ARG 17 HH22 ARG 17 -28.498 -17.160 3.702 33 H ILE 18 H ILE 18 -20.768 -15.556 1.850 34 HA ILE 18 HA ILE 18 -21.494 -12.953 1.223 35 HB ILE 18 HB ILE 18 -18.878 -14.108 2.185 36 HG12 ILE 18 HG12 ILE 18 -21.011 -12.493 3.597 37 HG13 ILE 18 HG13 ILE 18 -20.984 -14.251 3.575 38 HG21 ILE 18 HG21 ILE 18 -18.252 -11.812 2.790 39 HG22 ILE 18 HG22 ILE 18 -19.725 -11.193 2.050 40 HG23 ILE 18 HG23 ILE 18 -18.450 -11.934 1.053 41 HD11 ILE 18 HD11 ILE 18 -19.841 -13.872 5.532 42 HD12 ILE 18 HD12 ILE 18 -19.194 -12.329 4.995 43 HD13 ILE 18 HD13 ILE 18 -18.466 -13.824 4.413 44 H ASP 19 H ASP 19 -19.178 -15.120 -0.296 45 HA ASP 19 HA ASP 19 -17.946 -13.285 -2.006 46 HB2 ASP 19 HB2 ASP 19 -18.313 -16.279 -1.977 47 HB3 ASP 19 HB3 ASP 19 -17.574 -15.512 -3.377 48 H ILE 20 H ILE 20 -20.825 -15.324 -2.501 49 HA ILE 20 HA ILE 20 -21.380 -14.539 -5.145 50 HB ILE 20 HB ILE 20 -23.230 -15.339 -2.887 51 HG12 ILE 20 HG12 ILE 20 -21.629 -17.070 -3.629 52 HG13 ILE 20 HG13 ILE 20 -23.290 -17.492 -4.015 53 HG21 ILE 20 HG21 ILE 20 -24.699 -14.230 -4.323 54 HG22 ILE 20 HG22 ILE 20 -24.760 -15.875 -4.952 55 HG23 ILE 20 HG23 ILE 20 -23.775 -14.658 -5.769 56 HD11 ILE 20 HD11 ILE 20 -22.671 -16.284 -6.329 57 HD12 ILE 20 HD12 ILE 20 -22.284 -17.986 -6.030 58 HD13 ILE 20 HD13 ILE 20 -21.042 -16.755 -5.836 59 H LEU 21 H LEU 21 -22.385 -13.118 -2.044 60 HA LEU 21 HA LEU 21 -23.871 -10.978 -3.091 61 HB2 LEU 21 HB2 LEU 21 -22.556 -11.461 -0.447 62 HB3 LEU 21 HB3 LEU 21 -23.197 -9.864 -0.824 63 HG LEU 21 HG LEU 21 -25.393 -10.971 -1.425 64 HD11 LEU 21 HD11 LEU 21 -24.418 -13.294 -1.716 65 HD12 LEU 21 HD12 LEU 21 -25.832 -13.219 -0.665 66 HD13 LEU 21 HD13 LEU 21 -24.217 -13.350 0.031 67 HD21 LEU 21 HD21 LEU 21 -24.825 -9.873 0.798 68 HD22 LEU 21 HD22 LEU 21 -24.527 -11.480 1.433 69 HD23 LEU 21 HD23 LEU 21 -26.140 -11.061 0.854 70 H PHE 22 H PHE 22 -20.495 -11.293 -2.225 71 HA PHE 22 HA PHE 22 -19.628 -8.706 -2.561 72 HB2 PHE 22 HB2 PHE 22 -18.257 -10.504 -1.627 73 HB3 PHE 22 HB3 PHE 22 -18.171 -11.290 -3.208 74 HD1 PHE 22 HD1 PHE 22 -16.965 -8.560 -1.102 75 HD2 PHE 22 HD2 PHE 22 -16.690 -10.517 -4.905 76 HE1 PHE 22 HE1 PHE 22 -14.859 -7.346 -1.592 77 HE2 PHE 22 HE2 PHE 22 -14.795 -9.029 -5.496 78 HZ PHE 22 HZ PHE 22 -13.579 -7.853 -3.658 79 H SER 23 H SER 23 -19.955 -11.264 -5.015 80 HA SER 23 HA SER 23 -18.926 -9.754 -7.217 81 HB2 SER 23 HB2 SER 23 -19.114 -12.220 -7.292 82 HB3 SER 23 HB3 SER 23 -20.866 -12.089 -7.176 83 HG SER 23 HG SER 23 -20.226 -10.517 -9.123 84 H LEU 24 H LEU 24 -22.190 -10.405 -5.939 85 HA LEU 24 HA LEU 24 -23.657 -8.923 -7.818 86 HB2 LEU 24 HB2 LEU 24 -24.194 -9.542 -4.906 87 HB3 LEU 24 HB3 LEU 24 -25.368 -8.767 -5.963 88 HG LEU 24 HG LEU 24 -24.064 -11.434 -6.581 89 HD11 LEU 24 HD11 LEU 24 -26.437 -12.278 -5.924 90 HD12 LEU 24 HD12 LEU 24 -26.596 -10.744 -5.075 91 HD13 LEU 24 HD13 LEU 24 -25.323 -11.865 -4.621 92 HD21 LEU 24 HD21 LEU 24 -24.924 -10.655 -8.602 93 HD22 LEU 24 HD22 LEU 24 -26.210 -9.740 -7.817 94 HD23 LEU 24 HD23 LEU 24 -26.335 -11.490 -7.952 95 H ALA 25 H ALA 25 -22.296 -7.948 -4.684 96 HA ALA 25 HA ALA 25 -23.150 -5.303 -4.676 97 HB1 ALA 25 HB1 ALA 25 -22.079 -6.495 -2.765 98 HB2 ALA 25 HB2 ALA 25 -21.412 -4.894 -3.064 99 HB3 ALA 25 HB3 ALA 25 -20.520 -6.326 -3.581 100 H GLU 26 H GLU 26 -20.246 -6.772 -6.109 101 HA GLU 26 HA GLU 26 -19.011 -4.399 -6.919 102 HB2 GLU 26 HB2 GLU 26 -17.939 -6.617 -6.813 103 HB3 GLU 26 HB3 GLU 26 -18.902 -7.146 -8.184 104 HG2 GLU 26 HG2 GLU 26 -17.866 -5.431 -9.605 105 HG3 GLU 26 HG3 GLU 26 -16.939 -4.838 -8.231 106 H ARG 27 H ARG 27 -21.220 -6.522 -8.820 107 HA ARG 27 HA ARG 27 -21.134 -4.947 -11.158 108 HB2 ARG 27 HB2 ARG 27 -21.940 -7.263 -11.114 109 HB3 ARG 27 HB3 ARG 27 -23.363 -6.744 -10.208 110 HG2 ARG 27 HG2 ARG 27 -24.021 -5.266 -12.061 111 HG3 ARG 27 HG3 ARG 27 -22.586 -5.720 -12.969 112 HD2 ARG 27 HD2 ARG 27 -24.501 -7.013 -13.766 113 HD3 ARG 27 HD3 ARG 27 -23.386 -8.094 -12.929 114 HE ARG 27 HE ARG 27 -24.945 -8.282 -11.187 115 HH11 ARG 27 HH11 ARG 27 -26.067 -6.119 -13.700 116 HH12 ARG 27 HH12 ARG 27 -27.577 -5.820 -12.920 117 HH21 ARG 27 HH21 ARG 27 -27.249 -8.505 -10.800 118 HH22 ARG 27 HH22 ARG 27 -28.170 -7.065 -11.055 119 H VAL 28 H VAL 28 -23.424 -4.913 -8.443 120 HA VAL 28 HA VAL 28 -25.159 -2.971 -9.550 121 HB VAL 28 HB VAL 28 -25.853 -4.487 -7.764 122 HG11 VAL 28 HG11 VAL 28 -24.355 -2.830 -5.761 123 HG12 VAL 28 HG12 VAL 28 -23.548 -4.173 -6.565 124 HG13 VAL 28 HG13 VAL 28 -24.994 -4.469 -5.600 125 HG21 VAL 28 HG21 VAL 28 -27.147 -2.907 -6.508 126 HG22 VAL 28 HG22 VAL 28 -26.947 -2.243 -8.125 127 HG23 VAL 28 HG23 VAL 28 -25.974 -1.623 -6.779 128 H PHE 29 H PHE 29 -22.291 -2.777 -7.576 129 HA PHE 29 HA PHE 29 -22.274 -0.306 -6.549 130 HB2 PHE 29 HB2 PHE 29 -20.353 -2.264 -7.159 131 HB3 PHE 29 HB3 PHE 29 -19.719 -0.790 -7.868 132 HD1 PHE 29 HD1 PHE 29 -21.154 -2.100 -4.632 133 HD2 PHE 29 HD2 PHE 29 -18.579 0.736 -6.550 134 HE1 PHE 29 HE1 PHE 29 -21.250 -0.644 -2.630 135 HE2 PHE 29 HE2 PHE 29 -18.052 1.630 -4.312 136 HZ PHE 29 HZ PHE 29 -19.631 1.189 -2.432 137 HA PRO 30 HA PRO 30 -20.714 1.980 -10.528 138 HB2 PRO 30 HB2 PRO 30 -20.928 0.596 -12.917 139 HB3 PRO 30 HB3 PRO 30 -19.454 0.647 -11.931 140 HG2 PRO 30 HG2 PRO 30 -21.543 -1.472 -12.113 141 HG3 PRO 30 HG3 PRO 30 -19.780 -1.636 -12.030 142 HD2 PRO 30 HD2 PRO 30 -21.392 -2.011 -9.861 143 HD3 PRO 30 HD3 PRO 30 -19.727 -1.406 -9.741 144 H TYR 31 H TYR 31 -23.326 -0.353 -10.676 145 HA TYR 31 HA TYR 31 -24.884 0.947 -12.692 146 HB2 TYR 31 HB2 TYR 31 -25.270 -1.397 -12.162 147 HB3 TYR 31 HB3 TYR 31 -25.694 -0.996 -10.502 148 HD1 TYR 31 HD1 TYR 31 -26.699 -0.639 -14.050 149 HD2 TYR 31 HD2 TYR 31 -27.923 -0.246 -9.957 150 HE1 TYR 31 HE1 TYR 31 -28.951 0.056 -14.794 151 HE2 TYR 31 HE2 TYR 31 -30.211 0.348 -10.711 152 HH TYR 31 HH TYR 31 -31.220 -0.006 -14.037 153 H SER 32 H SER 32 -24.937 0.935 -9.174 154 HA SER 32 HA SER 32 -25.689 3.686 -9.016 155 HB2 SER 32 HB2 SER 32 -27.721 1.553 -8.504 156 HB3 SER 32 HB3 SER 32 -27.734 2.987 -7.474 157 HG SER 32 HG SER 32 -27.673 3.110 -10.301 158 HA PRO 33 HA PRO 33 -23.212 2.919 -5.311 159 HB2 PRO 33 HB2 PRO 33 -24.324 5.631 -4.691 160 HB3 PRO 33 HB3 PRO 33 -22.657 5.054 -4.614 161 HG2 PRO 33 HG2 PRO 33 -23.492 6.625 -6.577 162 HG3 PRO 33 HG3 PRO 33 -22.303 5.346 -6.850 163 HD2 PRO 33 HD2 PRO 33 -25.185 5.443 -7.626 164 HD3 PRO 33 HD3 PRO 33 -23.825 4.612 -8.415 165 H GLU 34 H GLU 34 -26.421 4.407 -5.236 166 HA GLU 34 HA GLU 34 -27.061 3.893 -2.585 167 HB2 GLU 34 HB2 GLU 34 -28.193 5.523 -3.997 168 HB3 GLU 34 HB3 GLU 34 -28.885 4.220 -4.963 169 HG2 GLU 34 HG2 GLU 34 -30.087 3.372 -2.997 170 HG3 GLU 34 HG3 GLU 34 -29.377 4.636 -1.999 171 H LEU 35 H LEU 35 -27.680 1.902 -5.464 172 HA LEU 35 HA LEU 35 -29.340 -0.013 -4.133 173 HB2 LEU 35 HB2 LEU 35 -27.795 -0.131 -6.720 174 HB3 LEU 35 HB3 LEU 35 -28.766 -1.471 -6.116 175 HG LEU 35 HG LEU 35 -29.854 1.329 -6.510 176 HD11 LEU 35 HD11 LEU 35 -29.394 -0.876 -8.432 177 HD12 LEU 35 HD12 LEU 35 -29.665 0.848 -8.722 178 HD13 LEU 35 HD13 LEU 35 -31.029 -0.221 -8.441 179 HD21 LEU 35 HD21 LEU 35 -30.859 -1.090 -5.280 180 HD22 LEU 35 HD22 LEU 35 -31.835 -0.714 -6.698 181 HD23 LEU 35 HD23 LEU 35 -31.643 0.476 -5.416 182 H ALA 36 H ALA 36 -25.902 0.199 -4.835 183 HA ALA 36 HA ALA 36 -25.159 -2.337 -3.852 184 HB1 ALA 36 HB1 ALA 36 -23.480 0.185 -3.917 185 HB2 ALA 36 HB2 ALA 36 -23.692 -0.932 -5.265 186 HB3 ALA 36 HB3 ALA 36 -22.906 -1.472 -3.779 187 H LYS 37 H LYS 37 -25.645 0.784 -2.308 188 HA LYS 37 HA LYS 37 -24.487 0.297 0.175 189 HB2 LYS 37 HB2 LYS 37 -25.262 2.499 -0.549 190 HB3 LYS 37 HB3 LYS 37 -26.927 1.928 -0.582 191 HG2 LYS 37 HG2 LYS 37 -26.507 3.221 1.447 192 HG3 LYS 37 HG3 LYS 37 -26.846 1.542 1.855 193 HD2 LYS 37 HD2 LYS 37 -24.552 1.088 2.299 194 HD3 LYS 37 HD3 LYS 37 -24.024 2.594 1.544 195 HE2 LYS 37 HE2 LYS 37 -24.265 3.691 3.519 196 HE3 LYS 37 HE3 LYS 37 -25.952 3.189 3.613 197 HZ1 LYS 37 HZ1 LYS 37 -25.380 1.259 4.752 198 HZ2 LYS 37 HZ2 LYS 37 -24.404 2.453 5.457 199 HZ3 LYS 37 HZ3 LYS 37 -23.747 1.351 4.314 200 H ARG 38 H ARG 38 -27.844 -0.314 -0.901 201 HA ARG 38 HA ARG 38 -28.727 -1.551 1.481 202 HB2 ARG 38 HB2 ARG 38 -30.195 -0.724 -0.310 203 HB3 ARG 38 HB3 ARG 38 -29.603 -1.987 -1.383 204 HG2 ARG 38 HG2 ARG 38 -30.459 -3.701 0.182 205 HG3 ARG 38 HG3 ARG 38 -31.068 -2.433 1.243 206 HD2 ARG 38 HD2 ARG 38 -32.426 -1.573 -0.699 207 HD3 ARG 38 HD3 ARG 38 -31.906 -2.989 -1.621 208 HE ARG 38 HE ARG 38 -33.044 -3.748 0.876 209 HH11 ARG 38 HH11 ARG 38 -33.948 -2.417 -2.179 210 HH12 ARG 38 HH12 ARG 38 -35.252 -3.527 -2.436 211 HH21 ARG 38 HH21 ARG 38 -35.218 -4.439 0.909 212 HH22 ARG 38 HH22 ARG 38 -36.070 -4.614 -0.585 213 H TYR 39 H TYR 39 -27.269 -2.902 -1.489 214 HA TYR 39 HA TYR 39 -27.477 -5.600 -0.725 215 HB2 TYR 39 HB2 TYR 39 -25.730 -4.227 -2.747 216 HB3 TYR 39 HB3 TYR 39 -25.669 -5.967 -2.477 217 HD1 TYR 39 HD1 TYR 39 -27.710 -7.355 -2.737 218 HD2 TYR 39 HD2 TYR 39 -27.137 -3.553 -4.508 219 HE1 TYR 39 HE1 TYR 39 -29.722 -7.715 -4.122 220 HE2 TYR 39 HE2 TYR 39 -29.328 -3.728 -5.677 221 HH TYR 39 HH TYR 39 -30.839 -5.219 -6.417 222 H VAL 40 H VAL 40 -24.757 -3.338 -0.313 223 HA VAL 40 HA VAL 40 -22.998 -5.184 0.797 224 HB VAL 40 HB VAL 40 -23.219 -2.218 1.302 225 HG11 VAL 40 HG11 VAL 40 -21.598 -2.415 2.847 226 HG12 VAL 40 HG12 VAL 40 -20.605 -3.344 1.724 227 HG13 VAL 40 HG13 VAL 40 -21.743 -4.169 2.759 228 HG21 VAL 40 HG21 VAL 40 -22.032 -3.916 -0.808 229 HG22 VAL 40 HG22 VAL 40 -20.909 -2.750 -0.117 230 HG23 VAL 40 HG23 VAL 40 -22.414 -2.195 -0.838 231 H GLU 41 H GLU 41 -25.594 -3.342 2.352 232 HA GLU 41 HA GLU 41 -24.680 -3.743 5.051 233 HB2 GLU 41 HB2 GLU 41 -27.390 -3.007 3.915 234 HB3 GLU 41 HB3 GLU 41 -27.028 -3.080 5.642 235 HG2 GLU 41 HG2 GLU 41 -25.354 -1.316 5.408 236 HG3 GLU 41 HG3 GLU 41 -25.606 -1.272 3.660 237 H LEU 42 H LEU 42 -26.924 -5.211 2.821 238 HA LEU 42 HA LEU 42 -27.822 -7.405 4.223 239 HB2 LEU 42 HB2 LEU 42 -28.697 -6.811 2.098 240 HB3 LEU 42 HB3 LEU 42 -27.128 -6.914 1.331 241 HG LEU 42 HG LEU 42 -27.117 -9.359 1.685 242 HD11 LEU 42 HD11 LEU 42 -28.753 -9.193 3.716 243 HD12 LEU 42 HD12 LEU 42 -28.858 -10.576 2.635 244 HD13 LEU 42 HD13 LEU 42 -30.013 -9.241 2.491 245 HD21 LEU 42 HD21 LEU 42 -28.454 -9.797 -0.151 246 HD22 LEU 42 HD22 LEU 42 -28.242 -8.055 -0.285 247 HD23 LEU 42 HD23 LEU 42 -29.730 -8.714 0.403 248 H ALA 43 H ALA 43 -24.707 -7.024 2.518 249 HA ALA 43 HA ALA 43 -23.887 -9.749 2.932 250 HB1 ALA 43 HB1 ALA 43 -22.029 -9.167 1.802 251 HB2 ALA 43 HB2 ALA 43 -21.779 -7.701 2.726 252 HB3 ALA 43 HB3 ALA 43 -22.943 -7.712 1.395 253 H LEU 44 H LEU 44 -23.413 -6.686 4.730 254 HA LEU 44 HA LEU 44 -21.765 -7.735 6.718 255 HB2 LEU 44 HB2 LEU 44 -23.608 -5.383 6.632 256 HB3 LEU 44 HB3 LEU 44 -22.874 -5.854 8.160 257 HG LEU 44 HG LEU 44 -21.499 -4.156 7.061 258 HD11 LEU 44 HD11 LEU 44 -19.497 -5.154 7.511 259 HD12 LEU 44 HD12 LEU 44 -19.848 -6.583 6.550 260 HD13 LEU 44 HD13 LEU 44 -20.538 -6.409 8.169 261 HD21 LEU 44 HD21 LEU 44 -21.334 -6.097 4.732 262 HD22 LEU 44 HD22 LEU 44 -20.426 -4.594 4.889 263 HD23 LEU 44 HD23 LEU 44 -22.187 -4.564 4.750 264 H LEU 45 H LEU 45 -25.342 -7.561 6.722 265 HA LEU 45 HA LEU 45 -25.684 -8.748 9.230 266 HB2 LEU 45 HB2 LEU 45 -27.453 -8.603 6.821 267 HB3 LEU 45 HB3 LEU 45 -27.901 -9.643 8.166 268 HG LEU 45 HG LEU 45 -27.627 -7.637 9.690 269 HD11 LEU 45 HD11 LEU 45 -27.608 -5.409 8.697 270 HD12 LEU 45 HD12 LEU 45 -27.499 -6.106 7.089 271 HD13 LEU 45 HD13 LEU 45 -26.158 -6.296 8.216 272 HD21 LEU 45 HD21 LEU 45 -29.643 -7.540 7.450 273 HD22 LEU 45 HD22 LEU 45 -29.751 -6.546 8.915 274 HD23 LEU 45 HD23 LEU 45 -29.838 -8.299 9.023 275 H VAL 46 H VAL 46 -25.396 -10.242 6.015 276 HA VAL 46 HA VAL 46 -25.708 -12.901 6.814 277 HB VAL 46 HB VAL 46 -24.082 -11.655 4.574 278 HG11 VAL 46 HG11 VAL 46 -24.270 -13.988 3.560 279 HG12 VAL 46 HG12 VAL 46 -24.738 -14.559 5.166 280 HG13 VAL 46 HG13 VAL 46 -23.144 -13.835 4.892 281 HG21 VAL 46 HG21 VAL 46 -25.978 -11.946 3.242 282 HG22 VAL 46 HG22 VAL 46 -26.695 -11.513 4.804 283 HG23 VAL 46 HG23 VAL 46 -26.651 -13.193 4.308 284 H GLN 47 H GLN 47 -22.779 -10.867 6.683 285 HA GLN 47 HA GLN 47 -20.934 -12.932 7.233 286 HB2 GLN 47 HB2 GLN 47 -20.295 -10.764 6.266 287 HB3 GLN 47 HB3 GLN 47 -20.772 -9.947 7.751 288 HG2 GLN 47 HG2 GLN 47 -19.048 -11.196 8.994 289 HG3 GLN 47 HG3 GLN 47 -18.577 -12.029 7.513 290 HE21 GLN 47 HE21 GLN 47 -16.768 -11.087 6.595 291 HE22 GLN 47 HE22 GLN 47 -16.359 -9.446 6.677 292 H GLN 48 H GLN 48 -22.426 -10.490 9.402 293 HA GLN 48 HA GLN 48 -21.181 -11.390 11.724 294 HB2 GLN 48 HB2 GLN 48 -22.779 -10.046 12.935 295 HB3 GLN 48 HB3 GLN 48 -22.336 -9.218 11.447 296 HG2 GLN 48 HG2 GLN 48 -24.415 -10.097 10.396 297 HG3 GLN 48 HG3 GLN 48 -24.862 -10.832 11.936 298 HE21 GLN 48 HE21 GLN 48 -26.689 -9.522 12.456 299 HE22 GLN 48 HE22 GLN 48 -26.745 -7.846 12.183 300 H LYS 49 H LYS 49 -24.331 -12.283 10.393 301 HA LYS 49 HA LYS 49 -25.113 -14.074 12.429 302 HB2 LYS 49 HB2 LYS 49 -25.829 -13.875 9.499 303 HB3 LYS 49 HB3 LYS 49 -26.635 -14.969 10.619 304 HG2 LYS 49 HG2 LYS 49 -27.285 -13.073 12.041 305 HG3 LYS 49 HG3 LYS 49 -26.457 -11.955 10.963 306 HD2 LYS 49 HD2 LYS 49 -27.970 -12.634 9.114 307 HD3 LYS 49 HD3 LYS 49 -28.798 -13.732 10.216 308 HE2 LYS 49 HE2 LYS 49 -29.442 -11.839 11.653 309 HE3 LYS 49 HE3 LYS 49 -28.596 -10.727 10.575 310 HZ1 LYS 49 HZ1 LYS 49 -30.940 -12.412 9.920 311 HZ2 LYS 49 HZ2 LYS 49 -30.060 -11.524 8.772 312 HZ3 LYS 49 HZ3 LYS 49 -30.893 -10.716 10.014 313 H ALA 50 H ALA 50 -23.501 -14.682 9.305 314 HA ALA 50 HA ALA 50 -22.926 -17.413 9.888 315 HB1 ALA 50 HB1 ALA 50 -21.506 -15.578 7.948 316 HB2 ALA 50 HB2 ALA 50 -23.039 -16.404 7.601 317 HB3 ALA 50 HB3 ALA 50 -21.577 -17.333 7.879 318 H LYS 51 H LYS 51 -21.574 -14.525 11.010 319 HA LYS 51 HA LYS 51 -19.678 -13.986 12.156 320 HB2 LYS 51 HB2 LYS 51 -21.011 -15.984 13.416 321 HB3 LYS 51 HB3 LYS 51 -19.401 -16.697 13.293 322 HG2 LYS 51 HG2 LYS 51 -18.402 -14.740 14.316 323 HG3 LYS 51 HG3 LYS 51 -19.953 -13.906 14.348 324 HD2 LYS 51 HD2 LYS 51 -20.864 -15.557 15.897 325 HD3 LYS 51 HD3 LYS 51 -19.360 -16.482 15.834 326 HE2 LYS 51 HE2 LYS 51 -19.189 -15.159 17.807 327 HE3 LYS 51 HE3 LYS 51 -18.205 -14.300 16.618 328 HZ1 LYS 51 HZ1 LYS 51 -20.611 -13.480 17.924 329 HZ2 LYS 51 HZ2 LYS 51 -20.715 -13.313 16.233 330 HZ3 LYS 51 HZ3 LYS 51 -19.460 -12.555 17.086 331 H VAL 52 H VAL 52 -18.790 -14.217 9.765 332 HA VAL 52 HA VAL 52 -16.422 -16.004 9.901 333 HB VAL 52 HB VAL 52 -16.454 -16.041 7.411 334 HG11 VAL 52 HG11 VAL 52 -17.215 -18.024 8.356 335 HG12 VAL 52 HG12 VAL 52 -18.570 -17.562 7.333 336 HG13 VAL 52 HG13 VAL 52 -18.635 -17.265 9.074 337 HG21 VAL 52 HG21 VAL 52 -17.753 -14.340 6.585 338 HG22 VAL 52 HG22 VAL 52 -18.928 -14.454 7.891 339 HG23 VAL 52 HG23 VAL 52 -18.968 -15.635 6.591 340 H LYS 53 H LYS 53 -14.492 -15.058 9.581 341 HA LYS 53 HA LYS 53 -14.504 -12.124 9.241 342 HB2 LYS 53 HB2 LYS 53 -12.441 -13.982 10.464 343 HB3 LYS 53 HB3 LYS 53 -12.188 -12.262 10.194 344 HG2 LYS 53 HG2 LYS 53 -14.107 -11.736 11.664 345 HG3 LYS 53 HG3 LYS 53 -14.383 -13.462 11.914 346 HD2 LYS 53 HD2 LYS 53 -12.134 -13.670 12.896 347 HD3 LYS 53 HD3 LYS 53 -11.840 -11.955 12.628 348 HE2 LYS 53 HE2 LYS 53 -13.719 -11.400 14.140 349 HE3 LYS 53 HE3 LYS 53 -14.015 -13.118 14.406 350 HZ1 LYS 53 HZ1 LYS 53 -11.499 -11.679 15.036 351 HZ2 LYS 53 HZ2 LYS 53 -11.786 -13.334 15.286 352 HZ3 LYS 53 HZ3 LYS 53 -12.674 -12.176 16.164 353 H ILE 54 H ILE 54 -13.363 -11.210 7.650 354 HA ILE 54 HA ILE 54 -11.750 -12.900 5.845 355 HB ILE 54 HB ILE 54 -12.835 -10.988 4.204 356 HG12 ILE 54 HG12 ILE 54 -14.974 -11.890 6.148 357 HG13 ILE 54 HG13 ILE 54 -14.436 -10.231 5.898 358 HG21 ILE 54 HG21 ILE 54 -13.783 -13.798 4.805 359 HG22 ILE 54 HG22 ILE 54 -12.557 -13.322 3.633 360 HG23 ILE 54 HG23 ILE 54 -14.245 -12.878 3.372 361 HD11 ILE 54 HD11 ILE 54 -15.166 -10.462 3.487 362 HD12 ILE 54 HD12 ILE 54 -16.483 -10.512 4.657 363 HD13 ILE 54 HD13 ILE 54 -15.903 -12.004 3.925 364 HA PRO 55 HA PRO 55 -8.967 -9.732 7.337 365 HB2 PRO 55 HB2 PRO 55 -7.164 -10.956 5.279 366 HB3 PRO 55 HB3 PRO 55 -6.833 -10.587 6.976 367 HG2 PRO 55 HG2 PRO 55 -7.306 -13.066 6.141 368 HG3 PRO 55 HG3 PRO 55 -7.854 -12.497 7.724 369 HD2 PRO 55 HD2 PRO 55 -9.426 -13.049 5.263 370 HD3 PRO 55 HD3 PRO 55 -9.947 -13.124 6.959 371 H ARG 56 H ARG 56 -9.265 -10.407 3.861 372 HA ARG 56 HA ARG 56 -8.953 -7.530 3.367 373 HB2 ARG 56 HB2 ARG 56 -8.205 -9.917 1.699 374 HB3 ARG 56 HB3 ARG 56 -8.225 -8.266 1.072 375 HG2 ARG 56 HG2 ARG 56 -6.679 -7.556 2.845 376 HG3 ARG 56 HG3 ARG 56 -6.677 -9.173 3.527 377 HD2 ARG 56 HD2 ARG 56 -5.670 -10.051 1.437 378 HD3 ARG 56 HD3 ARG 56 -5.704 -8.432 0.747 379 HE ARG 56 HE ARG 56 -4.014 -7.786 2.303 380 HH11 ARG 56 HH11 ARG 56 -5.003 -11.075 2.795 381 HH12 ARG 56 HH12 ARG 56 -3.715 -11.393 3.897 382 HH21 ARG 56 HH21 ARG 56 -2.248 -8.330 3.615 383 HH22 ARG 56 HH22 ARG 56 -1.937 -9.989 3.977 384 H LYS 57 H LYS 57 -11.266 -10.174 2.735 385 HA LYS 57 HA LYS 57 -12.042 -9.174 0.226 386 HB2 LYS 57 HB2 LYS 57 -13.537 -10.966 2.121 387 HB3 LYS 57 HB3 LYS 57 -14.148 -10.519 0.537 388 HG2 LYS 57 HG2 LYS 57 -12.148 -11.507 -0.519 389 HG3 LYS 57 HG3 LYS 57 -11.554 -11.978 1.079 390 HD2 LYS 57 HD2 LYS 57 -13.528 -13.370 1.467 391 HD3 LYS 57 HD3 LYS 57 -14.229 -12.832 -0.053 392 HE2 LYS 57 HE2 LYS 57 -13.308 -14.947 -0.559 393 HE3 LYS 57 HE3 LYS 57 -12.110 -13.811 -1.170 394 HZ1 LYS 57 HZ1 LYS 57 -11.957 -15.659 1.041 395 HZ2 LYS 57 HZ2 LYS 57 -11.292 -14.118 1.351 396 HZ3 LYS 57 HZ3 LYS 57 -10.726 -15.048 0.038 397 H TRP 58 H TRP 58 -13.748 -8.678 3.385 398 HA TRP 58 HA TRP 58 -15.230 -6.546 1.981 399 HB2 TRP 58 HB2 TRP 58 -16.040 -8.520 3.988 400 HB3 TRP 58 HB3 TRP 58 -16.586 -6.882 4.343 401 HD1 TRP 58 HD1 TRP 58 -17.366 -9.820 2.228 402 HE1 TRP 58 HE1 TRP 58 -19.294 -9.233 0.573 403 HE3 TRP 58 HE3 TRP 58 -16.712 -4.834 2.086 404 HZ2 TRP 58 HZ2 TRP 58 -20.228 -6.832 -0.765 405 HZ3 TRP 58 HZ3 TRP 58 -18.022 -3.419 0.526 406 HH2 TRP 58 HH2 TRP 58 -19.529 -4.479 -1.120 407 H LYS 59 H LYS 59 -13.268 -7.260 4.787 408 HA LYS 59 HA LYS 59 -13.664 -4.890 6.175 409 HB2 LYS 59 HB2 LYS 59 -11.355 -6.811 6.171 410 HB3 LYS 59 HB3 LYS 59 -11.468 -5.435 7.274 411 HG2 LYS 59 HG2 LYS 59 -13.639 -6.277 8.097 412 HG3 LYS 59 HG3 LYS 59 -13.538 -7.651 6.993 413 HD2 LYS 59 HD2 LYS 59 -11.478 -8.409 8.114 414 HD3 LYS 59 HD3 LYS 59 -11.559 -7.031 9.212 415 HE2 LYS 59 HE2 LYS 59 -13.722 -7.842 10.068 416 HE3 LYS 59 HE3 LYS 59 -13.663 -9.213 8.956 417 HZ1 LYS 59 HZ1 LYS 59 -11.669 -9.981 10.028 418 HZ2 LYS 59 HZ2 LYS 59 -12.886 -9.758 11.202 419 HZ3 LYS 59 HZ3 LYS 59 -11.632 -8.619 11.044 420 H ARG 60 H ARG 60 -11.457 -5.625 3.554 421 HA ARG 60 HA ARG 60 -10.073 -3.046 3.911 422 HB2 ARG 60 HB2 ARG 60 -9.381 -5.497 2.254 423 HB3 ARG 60 HB3 ARG 60 -8.425 -4.028 2.325 424 HG2 ARG 60 HG2 ARG 60 -9.144 -5.659 4.772 425 HG3 ARG 60 HG3 ARG 60 -7.632 -5.851 3.885 426 HD2 ARG 60 HD2 ARG 60 -8.538 -3.187 5.028 427 HD3 ARG 60 HD3 ARG 60 -7.486 -4.316 5.882 428 HE ARG 60 HE ARG 60 -6.390 -3.980 3.364 429 HH11 ARG 60 HH11 ARG 60 -7.023 -2.083 6.212 430 HH12 ARG 60 HH12 ARG 60 -5.507 -1.251 6.121 431 HH21 ARG 60 HH21 ARG 60 -4.499 -2.692 3.187 432 HH22 ARG 60 HH22 ARG 60 -4.467 -1.190 4.046 433 H ARG 61 H ARG 61 -12.715 -4.135 2.315 434 HA ARG 61 HA ARG 61 -12.144 -2.554 -0.111 435 HB2 ARG 61 HB2 ARG 61 -13.707 -5.116 0.117 436 HB3 ARG 61 HB3 ARG 61 -13.789 -4.055 -1.284 437 HG2 ARG 61 HG2 ARG 61 -11.352 -4.203 -1.586 438 HG3 ARG 61 HG3 ARG 61 -11.232 -5.242 -0.168 439 HD2 ARG 61 HD2 ARG 61 -12.654 -6.924 -1.281 440 HD3 ARG 61 HD3 ARG 61 -12.782 -5.887 -2.696 441 HE ARG 61 HE ARG 61 -10.374 -7.309 -1.821 442 HH11 ARG 61 HH11 ARG 61 -11.545 -4.668 -3.704 443 HH12 ARG 61 HH12 ARG 61 -10.723 -5.131 -5.151 444 HH21 ARG 61 HH21 ARG 61 -8.824 -7.549 -3.489 445 HH22 ARG 61 HH22 ARG 61 -8.730 -6.284 -4.663 446 H TYR 62 H TYR 62 -13.594 -1.850 2.563 447 HA TYR 62 HA TYR 62 -15.743 -0.496 1.127 448 HB2 TYR 62 HB2 TYR 62 -17.340 -0.901 2.972 449 HB3 TYR 62 HB3 TYR 62 -16.946 -2.319 2.013 450 HD1 TYR 62 HD1 TYR 62 -14.290 -1.428 4.358 451 HD2 TYR 62 HD2 TYR 62 -17.895 -3.665 3.819 452 HE1 TYR 62 HE1 TYR 62 -14.004 -2.421 6.592 453 HE2 TYR 62 HE2 TYR 62 -17.608 -4.675 6.044 454 HH TYR 62 HH TYR 62 -15.541 -5.267 7.335 455 H CYS 63 H CYS 63 -16.754 1.166 2.097 456 HA CYS 63 HA CYS 63 -15.186 3.195 3.218 457 HB2 CYS 63 HB2 CYS 63 -17.548 3.047 1.987 458 HB3 CYS 63 HB3 CYS 63 -18.133 3.141 3.643 459 H LYS 64 H LYS 64 -15.082 4.067 5.243 460 HA LYS 64 HA LYS 64 -15.241 2.451 7.505 461 HB2 LYS 64 HB2 LYS 64 -15.226 5.469 7.212 462 HB3 LYS 64 HB3 LYS 64 -15.001 4.632 8.747 463 HG2 LYS 64 HG2 LYS 64 -13.000 3.503 7.851 464 HG3 LYS 64 HG3 LYS 64 -13.240 4.304 6.296 465 HD2 LYS 64 HD2 LYS 64 -13.016 6.507 7.407 466 HD3 LYS 64 HD3 LYS 64 -12.768 5.692 8.949 467 HE2 LYS 64 HE2 LYS 64 -10.726 4.635 8.089 468 HE3 LYS 64 HE3 LYS 64 -10.970 5.418 6.528 469 HZ1 LYS 64 HZ1 LYS 64 -11.137 7.356 8.544 470 HZ2 LYS 64 HZ2 LYS 64 -10.001 7.222 7.294 471 HZ3 LYS 64 HZ3 LYS 64 -9.721 6.454 8.785 472 H LYS 65 H LYS 65 -17.630 4.772 6.203 473 HA LYS 65 HA LYS 65 -19.382 4.141 8.473 474 HB2 LYS 65 HB2 LYS 65 -19.094 6.504 8.056 475 HB3 LYS 65 HB3 LYS 65 -19.737 6.323 6.429 476 HG2 LYS 65 HG2 LYS 65 -21.865 5.485 7.357 477 HG3 LYS 65 HG3 LYS 65 -21.209 5.611 8.986 478 HD2 LYS 65 HD2 LYS 65 -20.961 8.049 8.693 479 HD3 LYS 65 HD3 LYS 65 -21.633 7.928 7.068 480 HE2 LYS 65 HE2 LYS 65 -23.745 7.029 8.004 481 HE3 LYS 65 HE3 LYS 65 -23.070 7.144 9.629 482 HZ1 LYS 65 HZ1 LYS 65 -24.524 9.039 8.821 483 HZ2 LYS 65 HZ2 LYS 65 -23.187 9.498 7.866 484 HZ3 LYS 65 HZ3 LYS 65 -23.048 9.439 9.558 485 H CYS 66 H CYS 66 -19.730 4.263 4.856 486 HA CYS 66 HA CYS 66 -22.380 3.330 5.154 487 HB2 CYS 66 HB2 CYS 66 -22.390 2.831 2.698 488 HB3 CYS 66 HB3 CYS 66 -22.016 4.502 3.103 489 H HIS 67 H HIS 67 -19.418 1.691 5.162 490 HA HIS 67 HA HIS 67 -18.697 -0.411 4.769 491 HB2 HIS 67 HB2 HIS 67 -21.649 -1.082 5.129 492 HB3 HIS 67 HB3 HIS 67 -20.358 -2.264 5.057 493 HD1 HIS 67 HD1 HIS 67 -18.340 -1.891 6.851 494 HD2 HIS 67 HD2 HIS 67 -21.807 0.335 7.594 495 HE1 HIS 67 HE1 HIS 67 -18.279 -1.191 9.300 496 HE2 HIS 67 HE2 HIS 67 -20.085 0.593 9.548 497 H ALA 68 H ALA 68 -20.068 1.334 2.598 498 HA ALA 68 HA ALA 68 -20.853 -0.530 0.540 499 HB1 ALA 68 HB1 ALA 68 -19.995 2.298 0.000 500 HB2 ALA 68 HB2 ALA 68 -21.576 1.949 0.701 501 HB3 ALA 68 HB3 ALA 68 -21.160 1.303 -0.879 502 H PHE 69 H PHE 69 -19.665 -0.924 -1.388 503 HA PHE 69 HA PHE 69 -17.064 -1.887 -0.731 504 HB2 PHE 69 HB2 PHE 69 -18.624 -3.014 -2.330 505 HB3 PHE 69 HB3 PHE 69 -18.478 -1.639 -3.404 506 HD1 PHE 69 HD1 PHE 69 -16.510 -4.176 -1.647 507 HD2 PHE 69 HD2 PHE 69 -17.263 -2.176 -5.273 508 HE1 PHE 69 HE1 PHE 69 -14.926 -5.672 -2.802 509 HE2 PHE 69 HE2 PHE 69 -15.430 -3.422 -6.392 510 HZ PHE 69 HZ PHE 69 -14.290 -5.212 -5.137 511 H LEU 70 H LEU 70 -15.071 -0.838 -1.074 512 HA LEU 70 HA LEU 70 -15.374 1.945 -1.871 513 HB2 LEU 70 HB2 LEU 70 -14.084 0.948 0.176 514 HB3 LEU 70 HB3 LEU 70 -12.792 0.660 -0.968 515 HG LEU 70 HG LEU 70 -12.227 2.755 -0.144 516 HD11 LEU 70 HD11 LEU 70 -14.079 3.618 -2.357 517 HD12 LEU 70 HD12 LEU 70 -12.501 2.886 -2.652 518 HD13 LEU 70 HD13 LEU 70 -12.628 4.436 -1.805 519 HD21 LEU 70 HD21 LEU 70 -14.256 2.955 1.234 520 HD22 LEU 70 HD22 LEU 70 -15.149 3.513 -0.173 521 HD23 LEU 70 HD23 LEU 70 -13.824 4.487 0.481 522 H VAL 71 H VAL 71 -15.427 2.159 -4.008 523 HA VAL 71 HA VAL 71 -12.961 1.530 -5.489 524 HB VAL 71 HB VAL 71 -15.673 1.499 -6.801 525 HG11 VAL 71 HG11 VAL 71 -14.424 0.135 -8.474 526 HG12 VAL 71 HG12 VAL 71 -12.960 0.322 -7.500 527 HG13 VAL 71 HG13 VAL 71 -13.720 1.726 -8.266 528 HG21 VAL 71 HG21 VAL 71 -15.976 -0.247 -5.280 529 HG22 VAL 71 HG22 VAL 71 -14.268 -0.739 -5.345 530 HG23 VAL 71 HG23 VAL 71 -15.334 -1.069 -6.699 531 HA PRO 72 HA PRO 72 -13.423 5.991 -6.181 532 HB2 PRO 72 HB2 PRO 72 -11.279 5.571 -8.188 533 HB3 PRO 72 HB3 PRO 72 -11.359 6.680 -6.815 534 HG2 PRO 72 HG2 PRO 72 -9.795 4.519 -6.800 535 HG3 PRO 72 HG3 PRO 72 -10.563 5.136 -5.336 536 HD2 PRO 72 HD2 PRO 72 -11.335 2.770 -7.021 537 HD3 PRO 72 HD3 PRO 72 -11.408 2.971 -5.255 538 H GLY 73 H GLY 73 -14.675 7.015 -7.616 539 HA2 GLY 73 HA2 GLY 73 -15.343 7.734 -9.764 540 HA3 GLY 73 HA3 GLY 73 -14.796 6.201 -10.431 541 H ILE 74 H ILE 74 -16.535 5.394 -7.629 542 HA ILE 74 HA ILE 74 -18.495 4.377 -9.622 543 HB ILE 74 HB ILE 74 -17.476 2.783 -7.251 544 HG12 ILE 74 HG12 ILE 74 -15.543 3.285 -8.689 545 HG13 ILE 74 HG13 ILE 74 -16.013 1.602 -8.855 546 HG21 ILE 74 HG21 ILE 74 -18.764 1.989 -9.866 547 HG22 ILE 74 HG22 ILE 74 -19.631 2.151 -8.340 548 HG23 ILE 74 HG23 ILE 74 -18.374 0.918 -8.537 549 HD11 ILE 74 HD11 ILE 74 -17.475 2.902 -10.851 550 HD12 ILE 74 HD12 ILE 74 -16.040 1.903 -11.068 551 HD13 ILE 74 HD13 ILE 74 -15.877 3.644 -10.896 552 H ASN 75 H ASN 75 -18.205 3.928 -6.084 553 HA ASN 75 HA ASN 75 -20.744 5.420 -5.716 554 HB2 ASN 75 HB2 ASN 75 -21.188 4.110 -3.875 555 HB3 ASN 75 HB3 ASN 75 -20.339 2.949 -4.880 556 HD21 ASN 75 HD21 ASN 75 -17.570 4.431 -4.095 557 HD22 ASN 75 HD22 ASN 75 -17.288 3.100 -3.082 558 H ALA 76 H ALA 76 -17.628 5.998 -5.885 559 HA ALA 76 HA ALA 76 -17.464 8.016 -3.874 560 HB1 ALA 76 HB1 ALA 76 -15.715 7.096 -2.530 561 HB2 ALA 76 HB2 ALA 76 -15.528 5.712 -3.594 562 HB3 ALA 76 HB3 ALA 76 -16.985 5.860 -2.602 563 H ARG 77 H ARG 77 -15.601 9.362 -4.227 564 HA ARG 77 HA ARG 77 -14.200 8.731 -6.748 565 HB2 ARG 77 HB2 ARG 77 -16.026 10.333 -7.125 566 HB3 ARG 77 HB3 ARG 77 -15.315 11.420 -5.936 567 HG2 ARG 77 HG2 ARG 77 -13.239 11.536 -7.300 568 HG3 ARG 77 HG3 ARG 77 -13.968 10.458 -8.484 569 HD2 ARG 77 HD2 ARG 77 -15.143 13.135 -7.680 570 HD3 ARG 77 HD3 ARG 77 -14.135 12.884 -9.104 571 HE ARG 77 HE ARG 77 -16.301 11.069 -9.111 572 HH11 ARG 77 HH11 ARG 77 -15.589 14.443 -9.473 573 HH12 ARG 77 HH12 ARG 77 -17.164 14.813 -10.069 574 HH21 ARG 77 HH21 ARG 77 -18.233 11.549 -10.218 575 HH22 ARG 77 HH22 ARG 77 -18.443 13.115 -10.912 576 H VAL 78 H VAL 78 -12.111 9.425 -6.934 577 HA VAL 78 HA VAL 78 -10.870 10.487 -4.478 578 HB VAL 78 HB VAL 78 -10.505 7.994 -4.763 579 HG11 VAL 78 HG11 VAL 78 -8.544 8.755 -6.935 580 HG12 VAL 78 HG12 VAL 78 -10.197 8.333 -7.339 581 HG13 VAL 78 HG13 VAL 78 -9.170 7.161 -6.513 582 HG21 VAL 78 HG21 VAL 78 -7.865 9.415 -5.007 583 HG22 VAL 78 HG22 VAL 78 -8.358 8.172 -3.862 584 HG23 VAL 78 HG23 VAL 78 -8.916 9.830 -3.666 585 H ARG 79 H ARG 79 -9.527 12.113 -4.821 586 HA ARG 79 HA ARG 79 -8.676 12.701 -7.593 587 HB2 ARG 79 HB2 ARG 79 -10.128 14.491 -6.623 588 HB3 ARG 79 HB3 ARG 79 -8.959 14.675 -5.315 589 HG2 ARG 79 HG2 ARG 79 -7.178 15.204 -6.949 590 HG3 ARG 79 HG3 ARG 79 -8.346 15.051 -8.257 591 HD2 ARG 79 HD2 ARG 79 -9.700 16.877 -7.164 592 HD3 ARG 79 HD3 ARG 79 -8.364 17.079 -6.027 593 HE ARG 79 HE ARG 79 -7.570 17.199 -8.794 594 HH11 ARG 79 HH11 ARG 79 -9.169 19.037 -6.346 595 HH12 ARG 79 HH12 ARG 79 -8.794 20.535 -7.117 596 HH21 ARG 79 HH21 ARG 79 -6.862 19.155 -9.579 597 HH22 ARG 79 HH22 ARG 79 -7.296 20.622 -8.784 598 H LEU 80 H LEU 80 -6.543 12.423 -7.876 599 HA LEU 80 HA LEU 80 -4.865 12.051 -5.503 600 HB2 LEU 80 HB2 LEU 80 -4.283 11.536 -8.451 601 HB3 LEU 80 HB3 LEU 80 -3.286 11.041 -7.096 602 HG LEU 80 HG LEU 80 -5.505 9.865 -6.244 603 HD11 LEU 80 HD11 LEU 80 -7.165 10.335 -7.765 604 HD12 LEU 80 HD12 LEU 80 -6.475 8.929 -8.583 605 HD13 LEU 80 HD13 LEU 80 -6.051 10.545 -9.113 606 HD21 LEU 80 HD21 LEU 80 -4.805 7.829 -7.548 607 HD22 LEU 80 HD22 LEU 80 -3.462 8.655 -6.768 608 HD23 LEU 80 HD23 LEU 80 -3.745 8.827 -8.508 609 H ARG 81 H ARG 81 -3.606 13.618 -4.816 610 HA ARG 81 HA ARG 81 -3.050 15.907 -6.583 611 HB2 ARG 81 HB2 ARG 81 -3.264 15.715 -3.574 612 HB3 ARG 81 HB3 ARG 81 -2.737 17.163 -4.432 613 HG2 ARG 81 HG2 ARG 81 -4.866 17.264 -5.637 614 HG3 ARG 81 HG3 ARG 81 -5.385 15.756 -4.888 615 HD2 ARG 81 HD2 ARG 81 -6.391 17.655 -3.708 616 HD3 ARG 81 HD3 ARG 81 -5.247 16.830 -2.659 617 HE ARG 81 HE ARG 81 -3.843 18.688 -2.773 618 HH11 ARG 81 HH11 ARG 81 -6.323 18.980 -5.211 619 HH12 ARG 81 HH12 ARG 81 -6.394 20.700 -5.076 620 HH21 ARG 81 HH21 ARG 81 -3.387 20.833 -3.283 621 HH22 ARG 81 HH22 ARG 81 -4.245 21.585 -4.586 622 H GLN 82 H GLN 82 -0.995 16.585 -6.948 623 HA GLN 82 HA GLN 82 1.143 14.891 -5.786 624 HB2 GLN 82 HB2 GLN 82 0.810 14.568 -8.204 625 HB3 GLN 82 HB3 GLN 82 1.088 16.288 -8.470 626 HG2 GLN 82 HG2 GLN 82 3.363 16.108 -7.590 627 HG3 GLN 82 HG3 GLN 82 3.075 14.424 -7.150 628 HE21 GLN 82 HE21 GLN 82 5.195 15.152 -8.912 629 HE22 GLN 82 HE22 GLN 82 4.850 14.495 -10.441 630 H LYS 83 H LYS 83 1.774 16.002 -4.147 631 HA LYS 83 HA LYS 83 3.476 18.348 -4.700 632 HB2 LYS 83 HB2 LYS 83 1.581 18.805 -3.111 633 HB3 LYS 83 HB3 LYS 83 2.169 17.517 -2.071 634 HG2 LYS 83 HG2 LYS 83 4.273 18.738 -1.717 635 HG3 LYS 83 HG3 LYS 83 3.733 20.019 -2.803 636 HD2 LYS 83 HD2 LYS 83 1.787 20.435 -1.319 637 HD3 LYS 83 HD3 LYS 83 2.354 19.164 -0.243 638 HE2 LYS 83 HE2 LYS 83 4.428 20.438 0.183 639 HE3 LYS 83 HE3 LYS 83 3.877 21.701 -0.918 640 HZ1 LYS 83 HZ1 LYS 83 1.986 22.086 0.493 641 HZ2 LYS 83 HZ2 LYS 83 3.422 22.227 1.386 642 HZ3 LYS 83 HZ3 LYS 83 2.463 20.835 1.541 643 H ARG 84 H ARG 84 5.478 17.985 -2.805 644 HA ARG 84 HA ARG 84 6.261 15.136 -3.236 645 HB2 ARG 84 HB2 ARG 84 7.601 17.509 -1.861 646 HB3 ARG 84 HB3 ARG 84 8.317 15.910 -2.009 647 HG2 ARG 84 HG2 ARG 84 8.361 16.115 -4.447 648 HG3 ARG 84 HG3 ARG 84 7.573 17.693 -4.355 649 HD2 ARG 84 HD2 ARG 84 9.459 18.530 -2.986 650 HD3 ARG 84 HD3 ARG 84 10.257 16.961 -3.133 651 HE ARG 84 HE ARG 84 9.672 17.955 -5.696 652 HH11 ARG 84 HH11 ARG 84 11.443 19.123 -2.945 653 HH12 ARG 84 HH12 ARG 84 12.917 19.334 -3.825 654 HH21 ARG 84 HH21 ARG 84 11.180 19.236 -6.877 655 HH22 ARG 84 HH22 ARG 84 12.257 20.224 -5.959 656 H MET 85 H MET 85 3.956 15.569 -1.953 657 HA MET 85 HA MET 85 4.598 13.645 0.097 658 HB2 MET 85 HB2 MET 85 3.446 16.208 0.694 659 HB3 MET 85 HB3 MET 85 2.150 15.025 0.829 660 HG2 MET 85 HG2 MET 85 3.521 13.708 2.402 661 HG3 MET 85 HG3 MET 85 4.837 14.872 2.239 662 HE1 MET 85 HE1 MET 85 5.074 16.963 3.414 663 HE2 MET 85 HE2 MET 85 3.785 17.967 4.055 664 HE3 MET 85 HE3 MET 85 3.885 17.674 2.315 665 HA PRO 86 HA PRO 86 1.430 12.136 -2.913 666 HB2 PRO 86 HB2 PRO 86 1.374 9.702 -1.202 667 HB3 PRO 86 HB3 PRO 86 1.556 9.852 -2.952 668 HG2 PRO 86 HG2 PRO 86 3.585 9.217 -1.313 669 HG3 PRO 86 HG3 PRO 86 3.808 10.108 -2.825 670 HD2 PRO 86 HD2 PRO 86 3.927 11.091 -0.012 671 HD3 PRO 86 HD3 PRO 86 4.774 11.700 -1.455 672 H HIS 87 H HIS 87 -0.714 12.589 -2.713 673 HA HIS 87 HA HIS 87 -2.126 11.981 -0.211 674 HB2 HIS 87 HB2 HIS 87 -1.096 14.315 -0.118 675 HB3 HIS 87 HB3 HIS 87 -2.190 14.747 -1.429 676 HD1 HIS 87 HD1 HIS 87 -2.559 12.895 1.921 677 HD2 HIS 87 HD2 HIS 87 -4.504 15.827 -0.366 678 HE1 HIS 87 HE1 HIS 87 -4.342 13.982 3.409 679 HE2 HIS 87 HE2 HIS 87 -5.897 15.179 1.779 680 H ILE 88 H ILE 88 -4.180 11.422 -0.517 681 HA ILE 88 HA ILE 88 -5.483 12.105 -3.074 682 HB ILE 88 HB ILE 88 -6.456 9.866 -3.243 683 HG12 ILE 88 HG12 ILE 88 -4.656 9.120 -0.920 684 HG13 ILE 88 HG13 ILE 88 -6.392 9.376 -0.773 685 HG21 ILE 88 HG21 ILE 88 -3.472 9.590 -2.868 686 HG22 ILE 88 HG22 ILE 88 -4.159 10.491 -4.216 687 HG23 ILE 88 HG23 ILE 88 -4.494 8.759 -4.032 688 HD11 ILE 88 HD11 ILE 88 -5.151 7.373 -2.685 689 HD12 ILE 88 HD12 ILE 88 -6.860 7.550 -2.297 690 HD13 ILE 88 HD13 ILE 88 -5.722 6.950 -1.077 691 H VAL 89 H VAL 89 -7.657 12.623 -2.896 692 HA VAL 89 HA VAL 89 -8.796 12.448 -0.178 693 HB VAL 89 HB VAL 89 -10.316 14.321 -0.974 694 HG11 VAL 89 HG11 VAL 89 -7.923 14.394 0.288 695 HG12 VAL 89 HG12 VAL 89 -8.858 15.842 -0.044 696 HG13 VAL 89 HG13 VAL 89 -7.532 15.375 -1.121 697 HG21 VAL 89 HG21 VAL 89 -9.976 15.412 -2.965 698 HG22 VAL 89 HG22 VAL 89 -9.431 13.813 -3.462 699 HG23 VAL 89 HG23 VAL 89 -8.256 15.047 -2.994 700 H VAL 90 H VAL 90 -10.702 11.535 0.146 701 HA VAL 90 HA VAL 90 -11.908 10.095 -2.133 702 HB VAL 90 HB VAL 90 -11.141 9.055 0.621 703 HG11 VAL 90 HG11 VAL 90 -13.348 8.203 0.257 704 HG12 VAL 90 HG12 VAL 90 -12.256 6.903 -0.233 705 HG13 VAL 90 HG13 VAL 90 -13.037 7.894 -1.450 706 HG21 VAL 90 HG21 VAL 90 -10.336 7.214 -1.208 707 HG22 VAL 90 HG22 VAL 90 -9.317 8.523 -0.623 708 HG23 VAL 90 HG23 VAL 90 -10.182 8.673 -2.164 709 H LYS 91 H LYS 91 -14.020 10.395 -2.259 710 HA LYS 91 HA LYS 91 -15.541 10.917 0.183 711 HB2 LYS 91 HB2 LYS 91 -17.102 12.323 -1.368 712 HB3 LYS 91 HB3 LYS 91 -15.695 13.074 -0.647 713 HG2 LYS 91 HG2 LYS 91 -15.732 11.956 -3.452 714 HG3 LYS 91 HG3 LYS 91 -16.053 13.636 -3.061 715 HD2 LYS 91 HD2 LYS 91 -13.791 13.826 -2.051 716 HD3 LYS 91 HD3 LYS 91 -13.450 12.168 -2.512 717 HE2 LYS 91 HE2 LYS 91 -13.779 12.705 -4.876 718 HE3 LYS 91 HE3 LYS 91 -14.110 14.387 -4.449 719 HZ1 LYS 91 HZ1 LYS 91 -11.689 13.457 -5.038 720 HZ2 LYS 91 HZ2 LYS 91 -11.678 13.267 -3.350 721 HZ3 LYS 91 HZ3 LYS 91 -11.962 14.792 -4.030 722 H CYS 92 H CYS 92 -17.566 9.995 0.256 723 HA CYS 92 HA CYS 92 -18.121 8.056 -1.905 724 HB2 CYS 92 HB2 CYS 92 -17.634 6.425 -0.418 725 HB3 CYS 92 HB3 CYS 92 -17.589 7.548 0.935 726 H LEU 93 H LEU 93 -20.184 7.972 -2.549 727 HA LEU 93 HA LEU 93 -21.798 10.234 -1.968 728 HB2 LEU 93 HB2 LEU 93 -22.220 7.788 -3.668 729 HB3 LEU 93 HB3 LEU 93 -23.420 9.071 -3.535 730 HG LEU 93 HG LEU 93 -20.523 9.584 -4.264 731 HD11 LEU 93 HD11 LEU 93 -21.469 8.178 -6.012 732 HD12 LEU 93 HD12 LEU 93 -21.337 9.828 -6.599 733 HD13 LEU 93 HD13 LEU 93 -22.910 9.188 -6.100 734 HD21 LEU 93 HD21 LEU 93 -21.831 11.648 -5.305 735 HD22 LEU 93 HD22 LEU 93 -21.419 11.636 -3.594 736 HD23 LEU 93 HD23 LEU 93 -23.050 11.204 -4.121 737 H GLU 94 H GLU 94 -22.076 6.804 -1.029 738 HA GLU 94 HA GLU 94 -24.690 7.058 -0.021 739 HB2 GLU 94 HB2 GLU 94 -23.363 5.037 1.511 740 HB3 GLU 94 HB3 GLU 94 -24.569 4.860 0.250 741 HG2 GLU 94 HG2 GLU 94 -21.571 5.073 -0.183 742 HG3 GLU 94 HG3 GLU 94 -22.545 3.612 -0.279 743 H CYS 95 H CYS 95 -21.583 7.486 1.548 744 HA CYS 95 HA CYS 95 -22.798 8.137 4.108 745 HB2 CYS 95 HB2 CYS 95 -19.913 8.440 3.241 746 HB3 CYS 95 HB3 CYS 95 -20.559 8.693 4.864 747 H GLY 96 H GLY 96 -21.459 9.766 1.274 748 HA2 GLY 96 HA2 GLY 96 -21.952 11.917 0.519 749 HA3 GLY 96 HA3 GLY 96 -22.823 12.226 2.012 750 H HIS 97 H HIS 97 -19.662 10.868 2.336 751 HA HIS 97 HA HIS 97 -18.757 13.459 3.428 752 HB2 HIS 97 HB2 HIS 97 -18.553 10.750 4.755 753 HB3 HIS 97 HB3 HIS 97 -17.715 12.201 5.303 754 HD1 HIS 97 HD1 HIS 97 -19.638 14.398 5.307 755 HD2 HIS 97 HD2 HIS 97 -20.841 10.520 6.341 756 HE1 HIS 97 HE1 HIS 97 -21.442 14.466 7.192 757 HE2 HIS 97 HE2 HIS 97 -22.802 12.330 6.447 758 H ILE 98 H ILE 98 -16.570 13.802 3.588 759 HA ILE 98 HA ILE 98 -14.972 12.344 1.581 760 HB ILE 98 HB ILE 98 -15.444 14.665 0.906 761 HG12 ILE 98 HG12 ILE 98 -12.566 14.333 1.784 762 HG13 ILE 98 HG13 ILE 98 -13.260 13.496 0.403 763 HG21 ILE 98 HG21 ILE 98 -13.827 15.612 3.255 764 HG22 ILE 98 HG22 ILE 98 -15.582 15.441 3.375 765 HG23 ILE 98 HG23 ILE 98 -14.866 16.541 2.190 766 HD11 ILE 98 HD11 ILE 98 -13.604 15.514 -0.799 767 HD12 ILE 98 HD12 ILE 98 -12.002 15.683 -0.086 768 HD13 ILE 98 HD13 ILE 98 -13.370 16.506 0.642 769 H MET 99 H MET 99 -13.132 11.496 2.180 770 HA MET 99 HA MET 99 -11.863 12.379 4.693 771 HB2 MET 99 HB2 MET 99 -12.048 9.570 3.568 772 HB3 MET 99 HB3 MET 99 -10.969 10.041 4.879 773 HG2 MET 99 HG2 MET 99 -12.926 10.840 6.175 774 HG3 MET 99 HG3 MET 99 -13.999 10.321 4.872 775 HE1 MET 99 HE1 MET 99 -14.238 8.303 3.953 776 HE2 MET 99 HE2 MET 99 -14.441 6.837 4.897 777 HE3 MET 99 HE3 MET 99 -12.916 7.138 4.064 778 H ARG 100 H ARG 100 -9.682 12.585 4.684 779 HA ARG 100 HA ARG 100 -8.336 12.684 2.065 780 HB2 ARG 100 HB2 ARG 100 -7.607 13.764 4.820 781 HB3 ARG 100 HB3 ARG 100 -6.634 13.977 3.367 782 HG2 ARG 100 HG2 ARG 100 -8.478 15.180 2.284 783 HG3 ARG 100 HG3 ARG 100 -9.485 14.955 3.713 784 HD2 ARG 100 HD2 ARG 100 -6.812 16.405 3.697 785 HD3 ARG 100 HD3 ARG 100 -8.364 17.216 3.631 786 HE ARG 100 HE ARG 100 -7.204 15.925 5.951 787 HH11 ARG 100 HH11 ARG 100 -10.184 16.840 4.432 788 HH12 ARG 100 HH12 ARG 100 -10.957 17.320 5.898 789 HH21 ARG 100 HH21 ARG 100 -8.522 15.956 7.887 790 HH22 ARG 100 HH22 ARG 100 -9.779 17.142 7.894 791 H TYR 101 H TYR 101 -6.671 11.320 1.592 792 HA TYR 101 HA TYR 101 -5.731 9.502 3.732 793 HB2 TYR 101 HB2 TYR 101 -6.947 8.892 1.191 794 HB3 TYR 101 HB3 TYR 101 -5.322 8.223 1.243 795 HD1 TYR 101 HD1 TYR 101 -4.638 6.867 3.344 796 HD2 TYR 101 HD2 TYR 101 -8.717 7.915 2.506 797 HE1 TYR 101 HE1 TYR 101 -5.434 5.265 5.042 798 HE2 TYR 101 HE2 TYR 101 -9.390 5.672 3.461 799 HH TYR 101 HH TYR 101 -7.445 3.683 5.175 800 HA PRO 102 HA PRO 102 -1.789 11.427 2.378 801 HB2 PRO 102 HB2 PRO 102 -0.502 10.880 4.702 802 HB3 PRO 102 HB3 PRO 102 -1.558 12.290 4.509 803 HG2 PRO 102 HG2 PRO 102 -2.066 9.690 5.865 804 HG3 PRO 102 HG3 PRO 102 -2.596 11.317 6.314 805 HD2 PRO 102 HD2 PRO 102 -4.147 9.400 4.977 806 HD3 PRO 102 HD3 PRO 102 -4.519 11.130 5.075 807 H TYR 103 H TYR 103 -0.070 10.324 1.552 808 HA TYR 103 HA TYR 103 0.494 7.603 2.433 809 HB2 TYR 103 HB2 TYR 103 -0.984 7.269 0.541 810 HB3 TYR 103 HB3 TYR 103 -0.013 8.348 -0.455 811 HD1 TYR 103 HD1 TYR 103 0.170 5.168 1.521 812 HD2 TYR 103 HD2 TYR 103 1.872 7.521 -1.639 813 HE1 TYR 103 HE1 TYR 103 1.638 3.277 0.876 814 HE2 TYR 103 HE2 TYR 103 3.123 5.566 -2.440 815 HH TYR 103 HH TYR 103 4.289 3.824 -0.445 816 H ILE 104 H ILE 104 2.625 6.881 1.885 817 HA ILE 104 HA ILE 104 4.487 9.005 1.080 818 HB ILE 104 HB ILE 104 4.498 8.846 3.553 819 HG12 ILE 104 HG12 ILE 104 7.039 7.673 2.385 820 HG13 ILE 104 HG13 ILE 104 6.557 9.347 2.158 821 HG21 ILE 104 HG21 ILE 104 5.749 6.120 3.364 822 HG22 ILE 104 HG22 ILE 104 3.994 6.241 3.344 823 HG23 ILE 104 HG23 ILE 104 4.899 6.880 4.715 824 HD11 ILE 104 HD11 ILE 104 6.376 9.522 4.713 825 HD12 ILE 104 HD12 ILE 104 8.002 9.356 4.064 826 HD13 ILE 104 HD13 ILE 104 7.192 7.953 4.757 827 H LYS 105 H LYS 105 6.039 8.380 -0.282 828 HA LYS 105 HA LYS 105 5.943 5.633 -1.309 829 HB2 LYS 105 HB2 LYS 105 7.398 8.112 -2.277 830 HB3 LYS 105 HB3 LYS 105 7.558 6.519 -3.014 831 HG2 LYS 105 HG2 LYS 105 5.137 6.486 -3.492 832 HG3 LYS 105 HG3 LYS 105 4.966 8.070 -2.735 833 HD2 LYS 105 HD2 LYS 105 6.547 9.018 -4.396 834 HD3 LYS 105 HD3 LYS 105 6.710 7.431 -5.137 835 HE2 LYS 105 HE2 LYS 105 4.322 7.429 -5.702 836 HE3 LYS 105 HE3 LYS 105 4.133 9.020 -4.965 837 HZ1 LYS 105 HZ1 LYS 105 4.557 9.717 -7.035 838 HZ2 LYS 105 HZ2 LYS 105 5.368 8.291 -7.485 839 HZ3 LYS 105 HZ3 LYS 105 6.176 9.487 -6.590 Start of MODEL 17 1 H LYS 15 H LYS 15 -20.415 -19.586 4.175 2 HA LYS 15 HA LYS 15 -19.023 -18.222 3.164 3 HB2 LYS 15 HB2 LYS 15 -17.342 -20.008 3.610 4 HB3 LYS 15 HB3 LYS 15 -17.691 -20.697 2.026 5 HG2 LYS 15 HG2 LYS 15 -16.966 -18.609 0.941 6 HG3 LYS 15 HG3 LYS 15 -16.680 -17.877 2.519 7 HD2 LYS 15 HD2 LYS 15 -14.974 -19.613 2.998 8 HD3 LYS 15 HD3 LYS 15 -15.257 -20.318 1.408 9 HE2 LYS 15 HE2 LYS 15 -14.555 -18.215 0.334 10 HE3 LYS 15 HE3 LYS 15 -14.287 -17.485 1.918 11 HZ1 LYS 15 HZ1 LYS 15 -12.213 -18.239 1.588 12 HZ2 LYS 15 HZ2 LYS 15 -12.686 -19.437 0.481 13 HZ3 LYS 15 HZ3 LYS 15 -12.851 -19.707 2.151 14 H GLU 16 H GLU 16 -20.390 -20.753 1.141 15 HA GLU 16 HA GLU 16 -20.249 -19.386 -1.328 16 HB2 GLU 16 HB2 GLU 16 -22.235 -21.425 -0.286 17 HB3 GLU 16 HB3 GLU 16 -22.187 -20.850 -1.955 18 HG2 GLU 16 HG2 GLU 16 -19.884 -21.623 -2.199 19 HG3 GLU 16 HG3 GLU 16 -19.846 -22.135 -0.517 20 H ARG 17 H ARG 17 -22.555 -19.229 1.350 21 HA ARG 17 HA ARG 17 -24.677 -17.908 0.060 22 HB2 ARG 17 HB2 ARG 17 -23.655 -17.778 2.920 23 HB3 ARG 17 HB3 ARG 17 -25.186 -17.085 2.401 24 HG2 ARG 17 HG2 ARG 17 -26.022 -19.294 1.764 25 HG3 ARG 17 HG3 ARG 17 -24.474 -20.024 2.208 26 HD2 ARG 17 HD2 ARG 17 -24.721 -19.199 4.508 27 HD3 ARG 17 HD3 ARG 17 -26.252 -18.442 4.085 28 HE ARG 17 HE ARG 17 -26.613 -21.104 3.504 29 HH11 ARG 17 HH11 ARG 17 -25.593 -19.270 6.283 30 HH12 ARG 17 HH12 ARG 17 -26.626 -20.135 7.369 31 HH21 ARG 17 HH21 ARG 17 -27.492 -22.546 5.059 32 HH22 ARG 17 HH22 ARG 17 -27.212 -22.236 6.738 33 H ILE 18 H ILE 18 -21.895 -16.658 1.839 34 HA ILE 18 HA ILE 18 -22.644 -13.897 1.632 35 HB ILE 18 HB ILE 18 -21.358 -14.792 3.528 36 HG12 ILE 18 HG12 ILE 18 -19.796 -12.674 2.042 37 HG13 ILE 18 HG13 ILE 18 -21.373 -12.364 2.763 38 HG21 ILE 18 HG21 ILE 18 -19.064 -14.935 1.553 39 HG22 ILE 18 HG22 ILE 18 -19.896 -16.321 2.260 40 HG23 ILE 18 HG23 ILE 18 -18.975 -15.230 3.291 41 HD11 ILE 18 HD11 ILE 18 -20.576 -12.585 4.929 42 HD12 ILE 18 HD12 ILE 18 -19.155 -11.911 4.137 43 HD13 ILE 18 HD13 ILE 18 -19.247 -13.640 4.457 44 H ASP 19 H ASP 19 -20.637 -16.112 -0.120 45 HA ASP 19 HA ASP 19 -19.032 -14.296 -1.546 46 HB2 ASP 19 HB2 ASP 19 -18.549 -16.703 -1.267 47 HB3 ASP 19 HB3 ASP 19 -19.927 -17.102 -2.275 48 H ILE 20 H ILE 20 -22.168 -15.768 -2.247 49 HA ILE 20 HA ILE 20 -22.525 -14.733 -4.856 50 HB ILE 20 HB ILE 20 -24.500 -15.544 -2.715 51 HG12 ILE 20 HG12 ILE 20 -23.077 -17.347 -3.594 52 HG13 ILE 20 HG13 ILE 20 -24.752 -17.558 -4.083 53 HG21 ILE 20 HG21 ILE 20 -25.935 -15.741 -4.986 54 HG22 ILE 20 HG22 ILE 20 -24.921 -14.365 -5.416 55 HG23 ILE 20 HG23 ILE 20 -25.940 -14.295 -3.979 56 HD11 ILE 20 HD11 ILE 20 -22.368 -16.843 -5.729 57 HD12 ILE 20 HD12 ILE 20 -23.930 -16.193 -6.225 58 HD13 ILE 20 HD13 ILE 20 -23.699 -17.936 -6.103 59 H LEU 21 H LEU 21 -23.354 -13.438 -1.651 60 HA LEU 21 HA LEU 21 -24.685 -11.111 -2.569 61 HB2 LEU 21 HB2 LEU 21 -23.359 -11.869 0.019 62 HB3 LEU 21 HB3 LEU 21 -23.893 -10.215 -0.242 63 HG LEU 21 HG LEU 21 -25.510 -11.904 0.888 64 HD11 LEU 21 HD11 LEU 21 -26.099 -9.891 -1.240 65 HD12 LEU 21 HD12 LEU 21 -26.451 -9.839 0.487 66 HD13 LEU 21 HD13 LEU 21 -27.432 -10.839 -0.584 67 HD21 LEU 21 HD21 LEU 21 -25.217 -13.639 -0.926 68 HD22 LEU 21 HD22 LEU 21 -26.125 -12.569 -1.996 69 HD23 LEU 21 HD23 LEU 21 -26.888 -13.226 -0.549 70 H PHE 22 H PHE 22 -21.276 -11.738 -1.798 71 HA PHE 22 HA PHE 22 -20.292 -9.140 -2.172 72 HB2 PHE 22 HB2 PHE 22 -18.958 -10.933 -1.193 73 HB3 PHE 22 HB3 PHE 22 -18.979 -11.814 -2.716 74 HD1 PHE 22 HD1 PHE 22 -17.916 -8.536 -1.218 75 HD2 PHE 22 HD2 PHE 22 -17.275 -11.490 -4.264 76 HE1 PHE 22 HE1 PHE 22 -15.918 -7.300 -2.006 77 HE2 PHE 22 HE2 PHE 22 -15.168 -10.366 -4.912 78 HZ PHE 22 HZ PHE 22 -14.531 -8.231 -3.838 79 H SER 23 H SER 23 -20.770 -11.747 -4.582 80 HA SER 23 HA SER 23 -19.569 -10.305 -6.747 81 HB2 SER 23 HB2 SER 23 -20.711 -11.943 -8.198 82 HB3 SER 23 HB3 SER 23 -19.863 -12.733 -6.868 83 HG SER 23 HG SER 23 -22.627 -12.165 -7.030 84 H LEU 24 H LEU 24 -22.840 -10.634 -5.493 85 HA LEU 24 HA LEU 24 -24.192 -9.116 -7.480 86 HB2 LEU 24 HB2 LEU 24 -24.834 -9.748 -4.591 87 HB3 LEU 24 HB3 LEU 24 -25.931 -8.870 -5.652 88 HG LEU 24 HG LEU 24 -24.789 -11.598 -6.324 89 HD11 LEU 24 HD11 LEU 24 -26.878 -12.553 -5.588 90 HD12 LEU 24 HD12 LEU 24 -27.541 -10.961 -5.226 91 HD13 LEU 24 HD13 LEU 24 -26.222 -11.608 -4.252 92 HD21 LEU 24 HD21 LEU 24 -27.082 -11.427 -7.697 93 HD22 LEU 24 HD22 LEU 24 -25.563 -10.810 -8.343 94 HD23 LEU 24 HD23 LEU 24 -26.719 -9.706 -7.595 95 H ALA 25 H ALA 25 -22.637 -8.290 -4.420 96 HA ALA 25 HA ALA 25 -23.512 -5.613 -4.263 97 HB1 ALA 25 HB1 ALA 25 -22.565 -6.641 -2.306 98 HB2 ALA 25 HB2 ALA 25 -21.499 -5.316 -2.770 99 HB3 ALA 25 HB3 ALA 25 -21.051 -6.978 -3.144 100 H GLU 26 H GLU 26 -20.698 -7.127 -5.756 101 HA GLU 26 HA GLU 26 -19.417 -4.757 -6.586 102 HB2 GLU 26 HB2 GLU 26 -18.309 -6.956 -6.473 103 HB3 GLU 26 HB3 GLU 26 -19.289 -7.513 -7.825 104 HG2 GLU 26 HG2 GLU 26 -18.320 -5.780 -9.271 105 HG3 GLU 26 HG3 GLU 26 -17.383 -5.157 -7.918 106 H ARG 27 H ARG 27 -21.823 -6.814 -8.226 107 HA ARG 27 HA ARG 27 -21.778 -5.402 -10.695 108 HB2 ARG 27 HB2 ARG 27 -22.753 -7.652 -10.462 109 HB3 ARG 27 HB3 ARG 27 -24.042 -6.987 -9.458 110 HG2 ARG 27 HG2 ARG 27 -24.721 -5.508 -11.342 111 HG3 ARG 27 HG3 ARG 27 -23.455 -6.220 -12.339 112 HD2 ARG 27 HD2 ARG 27 -24.538 -8.459 -11.998 113 HD3 ARG 27 HD3 ARG 27 -25.852 -7.639 -11.153 114 HE ARG 27 HE ARG 27 -25.357 -6.524 -13.754 115 HH11 ARG 27 HH11 ARG 27 -26.895 -9.148 -12.055 116 HH12 ARG 27 HH12 ARG 27 -28.296 -9.116 -13.073 117 HH21 ARG 27 HH21 ARG 27 -26.934 -6.875 -15.334 118 HH22 ARG 27 HH22 ARG 27 -28.229 -7.977 -15.016 119 H VAL 28 H VAL 28 -23.872 -5.078 -7.831 120 HA VAL 28 HA VAL 28 -25.479 -3.005 -8.905 121 HB VAL 28 HB VAL 28 -26.195 -4.364 -6.999 122 HG11 VAL 28 HG11 VAL 28 -24.190 -2.818 -5.346 123 HG12 VAL 28 HG12 VAL 28 -23.902 -4.445 -5.949 124 HG13 VAL 28 HG13 VAL 28 -25.223 -4.146 -4.823 125 HG21 VAL 28 HG21 VAL 28 -25.997 -1.376 -6.589 126 HG22 VAL 28 HG22 VAL 28 -26.867 -2.416 -5.467 127 HG23 VAL 28 HG23 VAL 28 -27.376 -2.318 -7.152 128 H PHE 29 H PHE 29 -22.480 -3.093 -7.178 129 HA PHE 29 HA PHE 29 -22.308 -0.613 -6.071 130 HB2 PHE 29 HB2 PHE 29 -20.640 -2.073 -5.464 131 HB3 PHE 29 HB3 PHE 29 -20.325 -2.581 -7.114 132 HD1 PHE 29 HD1 PHE 29 -20.380 0.796 -5.502 133 HD2 PHE 29 HD2 PHE 29 -18.040 -2.304 -7.293 134 HE1 PHE 29 HE1 PHE 29 -18.386 2.272 -5.776 135 HE2 PHE 29 HE2 PHE 29 -15.998 -1.172 -6.506 136 HZ PHE 29 HZ PHE 29 -16.145 1.232 -5.856 137 HA PRO 30 HA PRO 30 -20.570 1.437 -10.133 138 HB2 PRO 30 HB2 PRO 30 -20.908 -0.012 -12.444 139 HB3 PRO 30 HB3 PRO 30 -19.404 0.011 -11.505 140 HG2 PRO 30 HG2 PRO 30 -21.572 -2.029 -11.568 141 HG3 PRO 30 HG3 PRO 30 -19.816 -2.249 -11.481 142 HD2 PRO 30 HD2 PRO 30 -21.458 -2.464 -9.302 143 HD3 PRO 30 HD3 PRO 30 -19.761 -1.947 -9.194 144 H TYR 31 H TYR 31 -23.379 -0.707 -10.254 145 HA TYR 31 HA TYR 31 -24.827 0.706 -12.248 146 HB2 TYR 31 HB2 TYR 31 -25.428 -1.570 -11.665 147 HB3 TYR 31 HB3 TYR 31 -25.780 -1.092 -10.009 148 HD1 TYR 31 HD1 TYR 31 -26.766 -0.212 -13.534 149 HD2 TYR 31 HD2 TYR 31 -27.908 -0.293 -9.402 150 HE1 TYR 31 HE1 TYR 31 -29.166 0.040 -14.181 151 HE2 TYR 31 HE2 TYR 31 -30.275 0.087 -10.057 152 HH TYR 31 HH TYR 31 -31.233 1.586 -12.280 153 H SER 32 H SER 32 -24.934 0.802 -8.730 154 HA SER 32 HA SER 32 -25.543 3.592 -8.635 155 HB2 SER 32 HB2 SER 32 -27.804 2.469 -9.157 156 HB3 SER 32 HB3 SER 32 -27.719 1.839 -7.512 157 HG SER 32 HG SER 32 -27.486 3.995 -6.788 158 HA PRO 33 HA PRO 33 -23.205 2.447 -4.959 159 HB2 PRO 33 HB2 PRO 33 -23.802 5.305 -4.265 160 HB3 PRO 33 HB3 PRO 33 -22.262 4.428 -4.240 161 HG2 PRO 33 HG2 PRO 33 -22.805 6.146 -6.176 162 HG3 PRO 33 HG3 PRO 33 -21.939 4.635 -6.499 163 HD2 PRO 33 HD2 PRO 33 -24.795 5.346 -7.081 164 HD3 PRO 33 HD3 PRO 33 -23.670 4.347 -8.029 165 H GLU 34 H GLU 34 -26.233 4.276 -4.818 166 HA GLU 34 HA GLU 34 -26.728 3.936 -2.072 167 HB2 GLU 34 HB2 GLU 34 -28.620 4.396 -4.390 168 HB3 GLU 34 HB3 GLU 34 -29.109 4.462 -2.696 169 HG2 GLU 34 HG2 GLU 34 -27.505 6.254 -2.267 170 HG3 GLU 34 HG3 GLU 34 -26.911 6.156 -3.922 171 H LEU 35 H LEU 35 -27.769 1.996 -4.850 172 HA LEU 35 HA LEU 35 -29.263 0.068 -3.398 173 HB2 LEU 35 HB2 LEU 35 -27.855 -0.050 -6.066 174 HB3 LEU 35 HB3 LEU 35 -28.820 -1.378 -5.423 175 HG LEU 35 HG LEU 35 -29.876 1.441 -5.767 176 HD11 LEU 35 HD11 LEU 35 -29.481 -0.718 -7.714 177 HD12 LEU 35 HD12 LEU 35 -29.876 0.979 -7.983 178 HD13 LEU 35 HD13 LEU 35 -31.156 -0.178 -7.620 179 HD21 LEU 35 HD21 LEU 35 -32.071 0.047 -5.732 180 HD22 LEU 35 HD22 LEU 35 -31.245 0.338 -4.202 181 HD23 LEU 35 HD23 LEU 35 -31.078 -1.220 -5.012 182 H ALA 36 H ALA 36 -25.879 0.273 -4.335 183 HA ALA 36 HA ALA 36 -25.033 -2.253 -3.358 184 HB1 ALA 36 HB1 ALA 36 -23.218 0.125 -3.266 185 HB2 ALA 36 HB2 ALA 36 -23.817 -0.420 -4.829 186 HB3 ALA 36 HB3 ALA 36 -22.890 -1.519 -3.807 187 H LYS 37 H LYS 37 -25.484 0.894 -1.917 188 HA LYS 37 HA LYS 37 -24.178 0.582 0.529 189 HB2 LYS 37 HB2 LYS 37 -25.327 2.592 -0.683 190 HB3 LYS 37 HB3 LYS 37 -26.788 2.041 0.103 191 HG2 LYS 37 HG2 LYS 37 -24.294 2.738 1.649 192 HG3 LYS 37 HG3 LYS 37 -25.549 3.907 1.265 193 HD2 LYS 37 HD2 LYS 37 -27.219 2.505 2.442 194 HD3 LYS 37 HD3 LYS 37 -25.945 1.356 2.860 195 HE2 LYS 37 HE2 LYS 37 -24.759 3.086 4.113 196 HE3 LYS 37 HE3 LYS 37 -25.952 4.288 3.628 197 HZ1 LYS 37 HZ1 LYS 37 -27.154 3.687 5.383 198 HZ2 LYS 37 HZ2 LYS 37 -26.047 2.463 5.779 199 HZ3 LYS 37 HZ3 LYS 37 -27.339 2.141 4.723 200 H ARG 38 H ARG 38 -27.567 -0.071 -0.361 201 HA ARG 38 HA ARG 38 -28.349 -1.165 2.161 202 HB2 ARG 38 HB2 ARG 38 -29.459 -1.333 -0.648 203 HB3 ARG 38 HB3 ARG 38 -30.247 -2.097 0.734 204 HG2 ARG 38 HG2 ARG 38 -30.347 0.086 1.885 205 HG3 ARG 38 HG3 ARG 38 -29.543 0.850 0.521 206 HD2 ARG 38 HD2 ARG 38 -31.413 0.239 -0.959 207 HD3 ARG 38 HD3 ARG 38 -32.235 -0.530 0.394 208 HE ARG 38 HE ARG 38 -31.902 2.334 -0.063 209 HH11 ARG 38 HH11 ARG 38 -32.449 -0.026 2.400 210 HH12 ARG 38 HH12 ARG 38 -33.709 0.877 3.166 211 HH21 ARG 38 HH21 ARG 38 -33.168 3.669 1.222 212 HH22 ARG 38 HH22 ARG 38 -33.856 3.052 2.683 213 H TYR 39 H TYR 39 -27.203 -2.632 -0.868 214 HA TYR 39 HA TYR 39 -27.746 -5.300 -0.128 215 HB2 TYR 39 HB2 TYR 39 -26.080 -4.013 -2.251 216 HB3 TYR 39 HB3 TYR 39 -25.927 -5.744 -1.966 217 HD1 TYR 39 HD1 TYR 39 -29.014 -3.612 -1.686 218 HD2 TYR 39 HD2 TYR 39 -26.913 -6.578 -3.966 219 HE1 TYR 39 HE1 TYR 39 -31.116 -4.222 -2.828 220 HE2 TYR 39 HE2 TYR 39 -29.050 -7.308 -4.986 221 HH TYR 39 HH TYR 39 -31.345 -6.973 -4.974 222 H VAL 40 H VAL 40 -24.773 -3.417 0.056 223 HA VAL 40 HA VAL 40 -23.133 -5.542 0.922 224 HB VAL 40 HB VAL 40 -22.803 -2.557 1.067 225 HG11 VAL 40 HG11 VAL 40 -21.512 -3.409 2.942 226 HG12 VAL 40 HG12 VAL 40 -20.378 -3.142 1.620 227 HG13 VAL 40 HG13 VAL 40 -20.935 -4.773 1.986 228 HG21 VAL 40 HG21 VAL 40 -21.952 -4.789 -0.720 229 HG22 VAL 40 HG22 VAL 40 -20.827 -3.453 -0.484 230 HG23 VAL 40 HG23 VAL 40 -22.436 -3.140 -1.129 231 H GLU 41 H GLU 41 -24.934 -3.097 2.747 232 HA GLU 41 HA GLU 41 -23.880 -3.769 5.284 233 HB2 GLU 41 HB2 GLU 41 -26.511 -2.471 4.537 234 HB3 GLU 41 HB3 GLU 41 -25.954 -2.669 6.198 235 HG2 GLU 41 HG2 GLU 41 -23.950 -1.385 5.727 236 HG3 GLU 41 HG3 GLU 41 -24.400 -1.232 4.031 237 H LEU 42 H LEU 42 -26.715 -4.898 3.498 238 HA LEU 42 HA LEU 42 -27.522 -6.918 5.216 239 HB2 LEU 42 HB2 LEU 42 -28.775 -6.327 3.238 240 HB3 LEU 42 HB3 LEU 42 -27.443 -6.796 2.193 241 HG LEU 42 HG LEU 42 -27.700 -9.134 2.880 242 HD11 LEU 42 HD11 LEU 42 -28.569 -8.910 5.136 243 HD12 LEU 42 HD12 LEU 42 -29.765 -9.769 4.173 244 HD13 LEU 42 HD13 LEU 42 -29.999 -8.064 4.546 245 HD21 LEU 42 HD21 LEU 42 -29.848 -9.527 1.736 246 HD22 LEU 42 HD22 LEU 42 -28.941 -8.242 0.938 247 HD23 LEU 42 HD23 LEU 42 -30.295 -7.840 1.992 248 H ALA 43 H ALA 43 -24.867 -6.990 2.825 249 HA ALA 43 HA ALA 43 -24.234 -9.770 3.261 250 HB1 ALA 43 HB1 ALA 43 -22.335 -9.382 1.906 251 HB2 ALA 43 HB2 ALA 43 -22.313 -7.658 2.280 252 HB3 ALA 43 HB3 ALA 43 -23.575 -8.319 1.243 253 H LEU 44 H LEU 44 -23.086 -6.690 4.522 254 HA LEU 44 HA LEU 44 -20.874 -7.692 5.966 255 HB2 LEU 44 HB2 LEU 44 -21.042 -5.373 5.266 256 HB3 LEU 44 HB3 LEU 44 -22.439 -5.128 6.307 257 HG LEU 44 HG LEU 44 -21.068 -5.549 8.300 258 HD11 LEU 44 HD11 LEU 44 -18.933 -6.129 6.234 259 HD12 LEU 44 HD12 LEU 44 -19.453 -7.141 7.581 260 HD13 LEU 44 HD13 LEU 44 -18.525 -5.675 7.888 261 HD21 LEU 44 HD21 LEU 44 -21.120 -3.262 7.605 262 HD22 LEU 44 HD22 LEU 44 -19.968 -3.557 6.303 263 HD23 LEU 44 HD23 LEU 44 -19.431 -3.619 7.981 264 H LEU 45 H LEU 45 -24.161 -6.902 6.939 265 HA LEU 45 HA LEU 45 -24.004 -7.738 9.627 266 HB2 LEU 45 HB2 LEU 45 -26.253 -7.308 7.711 267 HB3 LEU 45 HB3 LEU 45 -26.566 -8.148 9.225 268 HG LEU 45 HG LEU 45 -25.577 -6.240 10.464 269 HD11 LEU 45 HD11 LEU 45 -24.174 -5.422 8.464 270 HD12 LEU 45 HD12 LEU 45 -24.970 -4.200 9.448 271 HD13 LEU 45 HD13 LEU 45 -25.663 -4.662 7.898 272 HD21 LEU 45 HD21 LEU 45 -27.927 -5.856 8.636 273 HD22 LEU 45 HD22 LEU 45 -27.442 -4.573 9.742 274 HD23 LEU 45 HD23 LEU 45 -27.900 -6.153 10.374 275 H VAL 46 H VAL 46 -24.786 -9.474 6.656 276 HA VAL 46 HA VAL 46 -25.401 -11.948 7.822 277 HB VAL 46 HB VAL 46 -24.183 -11.281 5.134 278 HG11 VAL 46 HG11 VAL 46 -24.930 -13.648 4.553 279 HG12 VAL 46 HG12 VAL 46 -25.078 -13.936 6.284 280 HG13 VAL 46 HG13 VAL 46 -23.508 -13.546 5.588 281 HG21 VAL 46 HG21 VAL 46 -26.693 -10.800 6.023 282 HG22 VAL 46 HG22 VAL 46 -26.891 -12.461 5.482 283 HG23 VAL 46 HG23 VAL 46 -26.338 -11.228 4.352 284 H GLN 47 H GLN 47 -22.262 -10.564 6.834 285 HA GLN 47 HA GLN 47 -20.754 -12.905 7.146 286 HB2 GLN 47 HB2 GLN 47 -19.930 -10.840 6.031 287 HB3 GLN 47 HB3 GLN 47 -19.853 -10.041 7.599 288 HG2 GLN 47 HG2 GLN 47 -18.247 -11.779 8.379 289 HG3 GLN 47 HG3 GLN 47 -18.296 -12.509 6.778 290 HE21 GLN 47 HE21 GLN 47 -16.084 -12.045 6.263 291 HE22 GLN 47 HE22 GLN 47 -15.483 -10.467 6.118 292 H GLN 48 H GLN 48 -21.318 -10.275 9.523 293 HA GLN 48 HA GLN 48 -19.670 -11.406 11.525 294 HB2 GLN 48 HB2 GLN 48 -20.782 -9.834 13.036 295 HB3 GLN 48 HB3 GLN 48 -20.401 -9.049 11.508 296 HG2 GLN 48 HG2 GLN 48 -22.727 -9.447 10.743 297 HG3 GLN 48 HG3 GLN 48 -23.109 -10.154 12.313 298 HE21 GLN 48 HE21 GLN 48 -24.369 -8.657 13.391 299 HE22 GLN 48 HE22 GLN 48 -24.201 -6.976 13.251 300 H LYS 49 H LYS 49 -23.121 -11.557 10.946 301 HA LYS 49 HA LYS 49 -23.854 -13.164 13.154 302 HB2 LYS 49 HB2 LYS 49 -25.331 -11.645 11.897 303 HB3 LYS 49 HB3 LYS 49 -25.216 -12.698 10.495 304 HG2 LYS 49 HG2 LYS 49 -26.310 -14.510 11.728 305 HG3 LYS 49 HG3 LYS 49 -26.369 -13.507 13.185 306 HD2 LYS 49 HD2 LYS 49 -27.697 -11.819 11.962 307 HD3 LYS 49 HD3 LYS 49 -27.657 -12.830 10.522 308 HE2 LYS 49 HE2 LYS 49 -28.894 -14.595 11.719 309 HE3 LYS 49 HE3 LYS 49 -28.910 -13.605 13.179 310 HZ1 LYS 49 HZ1 LYS 49 -30.123 -11.907 11.966 311 HZ2 LYS 49 HZ2 LYS 49 -30.970 -13.377 11.943 312 HZ3 LYS 49 HZ3 LYS 49 -30.121 -12.867 10.567 313 H ALA 50 H ALA 50 -23.123 -13.897 9.797 314 HA ALA 50 HA ALA 50 -23.457 -16.753 10.039 315 HB1 ALA 50 HB1 ALA 50 -22.176 -15.027 7.903 316 HB2 ALA 50 HB2 ALA 50 -23.811 -15.678 7.892 317 HB3 ALA 50 HB3 ALA 50 -22.431 -16.766 7.770 318 H LYS 51 H LYS 51 -21.038 -14.499 10.832 319 HA LYS 51 HA LYS 51 -18.949 -14.699 11.704 320 HB2 LYS 51 HB2 LYS 51 -20.449 -16.568 12.953 321 HB3 LYS 51 HB3 LYS 51 -19.212 -17.604 12.247 322 HG2 LYS 51 HG2 LYS 51 -17.450 -16.269 13.276 323 HG3 LYS 51 HG3 LYS 51 -18.631 -15.110 13.875 324 HD2 LYS 51 HD2 LYS 51 -19.648 -16.857 15.291 325 HD3 LYS 51 HD3 LYS 51 -18.474 -18.026 14.688 326 HE2 LYS 51 HE2 LYS 51 -16.633 -16.663 15.608 327 HE3 LYS 51 HE3 LYS 51 -17.802 -15.480 16.194 328 HZ1 LYS 51 HZ1 LYS 51 -16.907 -17.662 17.564 329 HZ2 LYS 51 HZ2 LYS 51 -18.442 -18.142 17.017 330 HZ3 LYS 51 HZ3 LYS 51 -18.277 -16.732 17.950 331 H VAL 52 H VAL 52 -18.589 -14.533 9.202 332 HA VAL 52 HA VAL 52 -17.308 -16.998 8.163 333 HB VAL 52 HB VAL 52 -18.199 -14.696 6.443 334 HG11 VAL 52 HG11 VAL 52 -18.547 -17.397 5.430 335 HG12 VAL 52 HG12 VAL 52 -16.890 -17.135 5.974 336 HG13 VAL 52 HG13 VAL 52 -17.601 -16.070 4.761 337 HG21 VAL 52 HG21 VAL 52 -20.372 -15.721 6.137 338 HG22 VAL 52 HG22 VAL 52 -20.139 -15.414 7.855 339 HG23 VAL 52 HG23 VAL 52 -19.945 -17.048 7.219 340 H LYS 53 H LYS 53 -15.192 -16.922 7.701 341 HA LYS 53 HA LYS 53 -13.719 -14.536 8.408 342 HB2 LYS 53 HB2 LYS 53 -12.859 -16.790 9.005 343 HB3 LYS 53 HB3 LYS 53 -12.689 -17.161 7.290 344 HG2 LYS 53 HG2 LYS 53 -11.123 -15.294 7.020 345 HG3 LYS 53 HG3 LYS 53 -11.319 -14.857 8.717 346 HD2 LYS 53 HD2 LYS 53 -10.406 -17.066 9.383 347 HD3 LYS 53 HD3 LYS 53 -10.192 -17.480 7.680 348 HE2 LYS 53 HE2 LYS 53 -8.664 -15.574 7.403 349 HE3 LYS 53 HE3 LYS 53 -8.897 -15.126 9.092 350 HZ1 LYS 53 HZ1 LYS 53 -6.992 -16.378 9.200 351 HZ2 LYS 53 HZ2 LYS 53 -7.457 -17.426 7.950 352 HZ3 LYS 53 HZ3 LYS 53 -8.159 -17.577 9.488 353 H ILE 54 H ILE 54 -12.904 -13.069 7.080 354 HA ILE 54 HA ILE 54 -12.526 -13.706 4.229 355 HB ILE 54 HB ILE 54 -14.179 -11.484 5.405 356 HG12 ILE 54 HG12 ILE 54 -14.567 -13.480 3.153 357 HG13 ILE 54 HG13 ILE 54 -15.373 -13.494 4.718 358 HG21 ILE 54 HG21 ILE 54 -12.842 -10.183 4.029 359 HG22 ILE 54 HG22 ILE 54 -14.128 -10.660 2.921 360 HG23 ILE 54 HG23 ILE 54 -12.574 -11.496 2.879 361 HD11 ILE 54 HD11 ILE 54 -15.772 -11.599 2.417 362 HD12 ILE 54 HD12 ILE 54 -16.242 -11.136 4.053 363 HD13 ILE 54 HD13 ILE 54 -16.972 -12.547 3.291 364 HA PRO 55 HA PRO 55 -8.634 -11.954 5.832 365 HB2 PRO 55 HB2 PRO 55 -7.887 -12.483 2.976 366 HB3 PRO 55 HB3 PRO 55 -7.013 -12.881 4.464 367 HG2 PRO 55 HG2 PRO 55 -8.308 -14.757 3.105 368 HG3 PRO 55 HG3 PRO 55 -8.294 -14.752 4.876 369 HD2 PRO 55 HD2 PRO 55 -10.490 -13.963 2.998 370 HD3 PRO 55 HD3 PRO 55 -10.594 -14.763 4.580 371 H ARG 56 H ARG 56 -9.885 -11.136 2.567 372 HA ARG 56 HA ARG 56 -9.445 -8.305 3.238 373 HB2 ARG 56 HB2 ARG 56 -8.473 -9.714 0.759 374 HB3 ARG 56 HB3 ARG 56 -8.579 -7.959 0.902 375 HG2 ARG 56 HG2 ARG 56 -7.137 -8.044 2.915 376 HG3 ARG 56 HG3 ARG 56 -7.033 -9.792 2.758 377 HD2 ARG 56 HD2 ARG 56 -6.115 -7.855 0.622 378 HD3 ARG 56 HD3 ARG 56 -5.051 -8.548 1.834 379 HE ARG 56 HE ARG 56 -6.160 -9.882 -0.488 380 HH11 ARG 56 HH11 ARG 56 -5.108 -10.522 2.783 381 HH12 ARG 56 HH12 ARG 56 -3.985 -11.743 2.288 382 HH21 ARG 56 HH21 ARG 56 -5.122 -11.840 -0.971 383 HH22 ARG 56 HH22 ARG 56 -4.525 -12.813 0.332 384 H LYS 57 H LYS 57 -11.526 -10.620 1.785 385 HA LYS 57 HA LYS 57 -12.331 -9.185 -0.431 386 HB2 LYS 57 HB2 LYS 57 -13.831 -11.333 1.072 387 HB3 LYS 57 HB3 LYS 57 -14.360 -10.675 -0.470 388 HG2 LYS 57 HG2 LYS 57 -12.249 -11.399 -1.509 389 HG3 LYS 57 HG3 LYS 57 -11.694 -12.041 0.037 390 HD2 LYS 57 HD2 LYS 57 -13.626 -13.586 0.088 391 HD3 LYS 57 HD3 LYS 57 -14.182 -12.944 -1.456 392 HE2 LYS 57 HE2 LYS 57 -12.100 -13.705 -2.528 393 HE3 LYS 57 HE3 LYS 57 -11.529 -14.332 -0.982 394 HZ1 LYS 57 HZ1 LYS 57 -13.576 -15.385 -2.780 395 HZ2 LYS 57 HZ2 LYS 57 -13.886 -15.525 -1.117 396 HZ3 LYS 57 HZ3 LYS 57 -12.485 -16.213 -1.782 397 H TRP 58 H TRP 58 -13.784 -9.001 2.811 398 HA TRP 58 HA TRP 58 -15.569 -6.949 1.699 399 HB2 TRP 58 HB2 TRP 58 -16.164 -8.979 3.753 400 HB3 TRP 58 HB3 TRP 58 -16.631 -7.333 4.174 401 HD1 TRP 58 HD1 TRP 58 -17.817 -10.233 2.236 402 HE1 TRP 58 HE1 TRP 58 -19.909 -9.545 0.865 403 HE3 TRP 58 HE3 TRP 58 -17.197 -5.189 2.231 404 HZ2 TRP 58 HZ2 TRP 58 -20.654 -7.117 -0.674 405 HZ3 TRP 58 HZ3 TRP 58 -18.052 -3.919 0.287 406 HH2 TRP 58 HH2 TRP 58 -19.463 -5.056 -1.407 407 H LYS 59 H LYS 59 -13.249 -7.829 4.169 408 HA LYS 59 HA LYS 59 -13.534 -5.529 5.759 409 HB2 LYS 59 HB2 LYS 59 -11.205 -7.421 5.429 410 HB3 LYS 59 HB3 LYS 59 -11.251 -6.121 6.623 411 HG2 LYS 59 HG2 LYS 59 -13.328 -7.064 7.576 412 HG3 LYS 59 HG3 LYS 59 -13.287 -8.354 6.378 413 HD2 LYS 59 HD2 LYS 59 -11.181 -9.189 7.286 414 HD3 LYS 59 HD3 LYS 59 -11.100 -7.841 8.416 415 HE2 LYS 59 HE2 LYS 59 -11.947 -9.851 9.548 416 HE3 LYS 59 HE3 LYS 59 -13.200 -8.614 9.477 417 HZ1 LYS 59 HZ1 LYS 59 -13.066 -10.512 7.264 418 HZ2 LYS 59 HZ2 LYS 59 -14.420 -9.805 8.001 419 HZ3 LYS 59 HZ3 LYS 59 -13.633 -11.107 8.749 420 H ARG 60 H ARG 60 -11.501 -6.141 2.942 421 HA ARG 60 HA ARG 60 -10.221 -3.509 3.287 422 HB2 ARG 60 HB2 ARG 60 -9.525 -5.835 1.482 423 HB3 ARG 60 HB3 ARG 60 -8.637 -4.316 1.555 424 HG2 ARG 60 HG2 ARG 60 -9.098 -6.137 3.941 425 HG3 ARG 60 HG3 ARG 60 -7.629 -6.133 2.970 426 HD2 ARG 60 HD2 ARG 60 -7.255 -3.759 3.523 427 HD3 ARG 60 HD3 ARG 60 -8.706 -3.757 4.517 428 HE ARG 60 HE ARG 60 -6.178 -5.117 5.130 429 HH11 ARG 60 HH11 ARG 60 -9.531 -4.664 5.969 430 HH12 ARG 60 HH12 ARG 60 -9.195 -4.516 7.659 431 HH21 ARG 60 HH21 ARG 60 -6.106 -5.983 7.264 432 HH22 ARG 60 HH22 ARG 60 -7.276 -5.417 8.402 433 H ARG 61 H ARG 61 -12.915 -4.664 1.864 434 HA ARG 61 HA ARG 61 -12.623 -2.969 -0.547 435 HB2 ARG 61 HB2 ARG 61 -14.074 -5.597 -0.189 436 HB3 ARG 61 HB3 ARG 61 -14.271 -4.560 -1.598 437 HG2 ARG 61 HG2 ARG 61 -11.846 -4.715 -2.056 438 HG3 ARG 61 HG3 ARG 61 -11.649 -5.746 -0.643 439 HD2 ARG 61 HD2 ARG 61 -13.152 -7.424 -1.647 440 HD3 ARG 61 HD3 ARG 61 -13.355 -6.397 -3.060 441 HE ARG 61 HE ARG 61 -10.997 -7.959 -2.352 442 HH11 ARG 61 HH11 ARG 61 -12.209 -5.317 -4.327 443 HH12 ARG 61 HH12 ARG 61 -10.626 -5.206 -5.021 444 HH21 ARG 61 HH21 ARG 61 -9.616 -8.325 -4.074 445 HH22 ARG 61 HH22 ARG 61 -9.593 -7.222 -5.406 446 H TYR 62 H TYR 62 -13.690 -2.127 2.102 447 HA TYR 62 HA TYR 62 -16.226 -1.117 0.968 448 HB2 TYR 62 HB2 TYR 62 -17.473 -1.722 2.834 449 HB3 TYR 62 HB3 TYR 62 -16.408 -3.105 2.627 450 HD1 TYR 62 HD1 TYR 62 -14.176 -3.102 4.024 451 HD2 TYR 62 HD2 TYR 62 -17.724 -0.888 4.932 452 HE1 TYR 62 HE1 TYR 62 -13.322 -2.617 6.298 453 HE2 TYR 62 HE2 TYR 62 -16.870 -0.441 7.215 454 HH TYR 62 HH TYR 62 -13.811 -1.869 8.326 455 H CYS 63 H CYS 63 -17.036 0.831 1.988 456 HA CYS 63 HA CYS 63 -14.963 2.613 2.992 457 HB2 CYS 63 HB2 CYS 63 -16.444 3.750 1.586 458 HB3 CYS 63 HB3 CYS 63 -17.851 2.948 2.275 459 H LYS 64 H LYS 64 -15.133 3.772 4.896 460 HA LYS 64 HA LYS 64 -15.715 2.363 7.254 461 HB2 LYS 64 HB2 LYS 64 -14.138 4.288 6.975 462 HB3 LYS 64 HB3 LYS 64 -15.523 5.359 6.788 463 HG2 LYS 64 HG2 LYS 64 -16.296 4.781 9.050 464 HG3 LYS 64 HG3 LYS 64 -14.934 3.675 9.243 465 HD2 LYS 64 HD2 LYS 64 -13.364 5.564 8.928 466 HD3 LYS 64 HD3 LYS 64 -14.730 6.666 8.756 467 HE2 LYS 64 HE2 LYS 64 -15.480 6.097 11.032 468 HE3 LYS 64 HE3 LYS 64 -14.121 4.988 11.205 469 HZ1 LYS 64 HZ1 LYS 64 -13.625 7.138 12.201 470 HZ2 LYS 64 HZ2 LYS 64 -13.925 7.914 10.725 471 HZ3 LYS 64 HZ3 LYS 64 -12.611 6.852 10.871 472 H LYS 65 H LYS 65 -17.512 5.019 5.651 473 HA LYS 65 HA LYS 65 -19.862 4.189 7.152 474 HB2 LYS 65 HB2 LYS 65 -19.170 6.493 7.409 475 HB3 LYS 65 HB3 LYS 65 -19.356 6.774 5.683 476 HG2 LYS 65 HG2 LYS 65 -21.757 6.181 5.863 477 HG3 LYS 65 HG3 LYS 65 -21.551 5.870 7.580 478 HD2 LYS 65 HD2 LYS 65 -20.927 8.245 7.919 479 HD3 LYS 65 HD3 LYS 65 -21.154 8.545 6.196 480 HE2 LYS 65 HE2 LYS 65 -23.510 7.820 6.387 481 HE3 LYS 65 HE3 LYS 65 -23.274 7.530 8.110 482 HZ1 LYS 65 HZ1 LYS 65 -24.219 9.798 7.198 483 HZ2 LYS 65 HZ2 LYS 65 -22.566 10.168 7.067 484 HZ3 LYS 65 HZ3 LYS 65 -23.225 9.745 8.573 485 H CYS 66 H CYS 66 -18.884 3.755 3.822 486 HA CYS 66 HA CYS 66 -21.590 4.280 2.795 487 HB2 CYS 66 HB2 CYS 66 -19.465 2.636 1.414 488 HB3 CYS 66 HB3 CYS 66 -20.963 3.208 0.748 489 H HIS 67 H HIS 67 -19.480 1.743 3.953 490 HA HIS 67 HA HIS 67 -19.801 -0.468 4.409 491 HB2 HIS 67 HB2 HIS 67 -22.738 0.277 4.432 492 HB3 HIS 67 HB3 HIS 67 -22.053 -1.241 5.012 493 HD1 HIS 67 HD1 HIS 67 -20.238 -1.019 7.020 494 HD2 HIS 67 HD2 HIS 67 -22.839 2.207 6.416 495 HE1 HIS 67 HE1 HIS 67 -19.807 0.693 8.883 496 HE2 HIS 67 HE2 HIS 67 -21.851 2.229 8.846 497 H ALA 68 H ALA 68 -19.541 0.549 1.842 498 HA ALA 68 HA ALA 68 -20.979 -1.382 0.128 499 HB1 ALA 68 HB1 ALA 68 -20.567 1.573 -0.295 500 HB2 ALA 68 HB2 ALA 68 -22.070 0.650 -0.381 501 HB3 ALA 68 HB3 ALA 68 -20.849 0.478 -1.643 502 H PHE 69 H PHE 69 -19.872 -1.687 -1.982 503 HA PHE 69 HA PHE 69 -17.268 -2.678 -1.423 504 HB2 PHE 69 HB2 PHE 69 -18.950 -3.473 -3.197 505 HB3 PHE 69 HB3 PHE 69 -18.443 -2.092 -4.157 506 HD1 PHE 69 HD1 PHE 69 -15.702 -1.885 -4.355 507 HD2 PHE 69 HD2 PHE 69 -17.896 -5.488 -3.568 508 HE1 PHE 69 HE1 PHE 69 -13.653 -3.315 -4.637 509 HE2 PHE 69 HE2 PHE 69 -16.262 -6.690 -4.988 510 HZ PHE 69 HZ PHE 69 -14.185 -5.555 -5.692 511 H LEU 70 H LEU 70 -15.274 -1.601 -1.669 512 HA LEU 70 HA LEU 70 -15.541 1.248 -2.409 513 HB2 LEU 70 HB2 LEU 70 -14.797 0.530 -0.082 514 HB3 LEU 70 HB3 LEU 70 -13.317 -0.055 -0.819 515 HG LEU 70 HG LEU 70 -13.157 2.224 0.192 516 HD11 LEU 70 HD11 LEU 70 -11.715 3.056 -1.441 517 HD12 LEU 70 HD12 LEU 70 -12.724 2.495 -2.770 518 HD13 LEU 70 HD13 LEU 70 -11.773 1.341 -1.832 519 HD21 LEU 70 HD21 LEU 70 -14.283 4.088 -0.655 520 HD22 LEU 70 HD22 LEU 70 -15.534 2.850 -0.689 521 HD23 LEU 70 HD23 LEU 70 -14.682 3.284 -2.172 522 H VAL 71 H VAL 71 -15.102 1.417 -4.473 523 HA VAL 71 HA VAL 71 -12.272 1.100 -5.192 524 HB VAL 71 HB VAL 71 -14.624 0.605 -7.045 525 HG11 VAL 71 HG11 VAL 71 -12.917 0.229 -8.781 526 HG12 VAL 71 HG12 VAL 71 -11.661 0.734 -7.651 527 HG13 VAL 71 HG13 VAL 71 -12.881 1.890 -8.190 528 HG21 VAL 71 HG21 VAL 71 -13.730 -1.626 -7.271 529 HG22 VAL 71 HG22 VAL 71 -13.927 -1.292 -5.553 530 HG23 VAL 71 HG23 VAL 71 -12.325 -1.214 -6.285 531 HA PRO 72 HA PRO 72 -12.999 5.509 -5.785 532 HB2 PRO 72 HB2 PRO 72 -10.609 5.473 -7.539 533 HB3 PRO 72 HB3 PRO 72 -10.942 6.439 -6.093 534 HG2 PRO 72 HG2 PRO 72 -9.203 4.392 -6.096 535 HG3 PRO 72 HG3 PRO 72 -10.160 4.844 -4.679 536 HD2 PRO 72 HD2 PRO 72 -10.539 2.533 -6.555 537 HD3 PRO 72 HD3 PRO 72 -10.867 2.638 -4.810 538 H GLY 73 H GLY 73 -13.915 6.781 -7.285 539 HA2 GLY 73 HA2 GLY 73 -14.459 7.541 -9.446 540 HA3 GLY 73 HA3 GLY 73 -14.004 5.974 -10.097 541 H ILE 74 H ILE 74 -15.828 4.944 -7.633 542 HA ILE 74 HA ILE 74 -18.082 4.749 -9.535 543 HB ILE 74 HB ILE 74 -17.065 2.665 -7.600 544 HG12 ILE 74 HG12 ILE 74 -17.392 2.543 -10.606 545 HG13 ILE 74 HG13 ILE 74 -15.880 3.020 -9.835 546 HG21 ILE 74 HG21 ILE 74 -19.455 2.497 -7.575 547 HG22 ILE 74 HG22 ILE 74 -18.934 1.316 -8.772 548 HG23 ILE 74 HG23 ILE 74 -19.562 2.880 -9.287 549 HD11 ILE 74 HD11 ILE 74 -17.122 0.494 -8.856 550 HD12 ILE 74 HD12 ILE 74 -15.425 0.901 -9.101 551 HD13 ILE 74 HD13 ILE 74 -16.432 0.462 -10.479 552 H ASN 75 H ASN 75 -17.775 3.931 -6.074 553 HA ASN 75 HA ASN 75 -20.283 5.423 -5.563 554 HB2 ASN 75 HB2 ASN 75 -20.432 4.199 -3.478 555 HB3 ASN 75 HB3 ASN 75 -20.211 3.047 -4.785 556 HD21 ASN 75 HD21 ASN 75 -19.525 2.369 -2.075 557 HD22 ASN 75 HD22 ASN 75 -17.942 1.805 -2.317 558 H ALA 76 H ALA 76 -17.131 5.884 -5.672 559 HA ALA 76 HA ALA 76 -17.097 8.062 -3.819 560 HB1 ALA 76 HB1 ALA 76 -15.242 7.262 -2.440 561 HB2 ALA 76 HB2 ALA 76 -15.188 5.747 -3.346 562 HB3 ALA 76 HB3 ALA 76 -16.575 6.117 -2.324 563 H ARG 77 H ARG 77 -15.245 9.413 -4.244 564 HA ARG 77 HA ARG 77 -13.755 8.678 -6.687 565 HB2 ARG 77 HB2 ARG 77 -15.646 10.310 -7.119 566 HB3 ARG 77 HB3 ARG 77 -14.757 11.466 -6.127 567 HG2 ARG 77 HG2 ARG 77 -12.819 11.295 -7.621 568 HG3 ARG 77 HG3 ARG 77 -13.649 10.076 -8.586 569 HD2 ARG 77 HD2 ARG 77 -13.858 12.233 -9.682 570 HD3 ARG 77 HD3 ARG 77 -15.435 11.738 -9.083 571 HE ARG 77 HE ARG 77 -14.059 13.372 -7.177 572 HH11 ARG 77 HH11 ARG 77 -15.636 13.525 -10.260 573 HH12 ARG 77 HH12 ARG 77 -15.981 15.220 -10.133 574 HH21 ARG 77 HH21 ARG 77 -14.817 15.499 -6.899 575 HH22 ARG 77 HH22 ARG 77 -15.609 16.295 -8.214 576 H VAL 78 H VAL 78 -11.658 9.214 -6.764 577 HA VAL 78 HA VAL 78 -10.541 10.559 -4.388 578 HB VAL 78 HB VAL 78 -10.161 8.046 -4.434 579 HG11 VAL 78 HG11 VAL 78 -8.692 7.096 -6.024 580 HG12 VAL 78 HG12 VAL 78 -8.124 8.672 -6.570 581 HG13 VAL 78 HG13 VAL 78 -9.744 8.125 -6.996 582 HG21 VAL 78 HG21 VAL 78 -7.519 9.444 -4.645 583 HG22 VAL 78 HG22 VAL 78 -8.091 8.290 -3.441 584 HG23 VAL 78 HG23 VAL 78 -8.655 9.960 -3.400 585 H ARG 79 H ARG 79 -9.207 12.163 -4.766 586 HA ARG 79 HA ARG 79 -8.193 12.567 -7.520 587 HB2 ARG 79 HB2 ARG 79 -9.681 14.378 -6.686 588 HB3 ARG 79 HB3 ARG 79 -8.574 14.635 -5.338 589 HG2 ARG 79 HG2 ARG 79 -6.753 15.162 -6.918 590 HG3 ARG 79 HG3 ARG 79 -7.857 14.916 -8.275 591 HD2 ARG 79 HD2 ARG 79 -8.301 16.935 -6.057 592 HD3 ARG 79 HD3 ARG 79 -7.580 17.327 -7.616 593 HE ARG 79 HE ARG 79 -10.033 16.018 -8.075 594 HH11 ARG 79 HH11 ARG 79 -9.105 18.843 -6.299 595 HH12 ARG 79 HH12 ARG 79 -10.296 19.859 -7.031 596 HH21 ARG 79 HH21 ARG 79 -11.873 17.194 -8.562 597 HH22 ARG 79 HH22 ARG 79 -12.068 18.787 -7.913 598 H LEU 80 H LEU 80 -6.065 12.467 -7.808 599 HA LEU 80 HA LEU 80 -4.378 12.066 -5.415 600 HB2 LEU 80 HB2 LEU 80 -3.820 11.412 -8.327 601 HB3 LEU 80 HB3 LEU 80 -2.854 10.931 -6.937 602 HG LEU 80 HG LEU 80 -5.095 9.848 -6.087 603 HD11 LEU 80 HD11 LEU 80 -6.817 10.158 -7.499 604 HD12 LEU 80 HD12 LEU 80 -6.032 8.996 -8.560 605 HD13 LEU 80 HD13 LEU 80 -5.767 10.720 -8.793 606 HD21 LEU 80 HD21 LEU 80 -4.553 7.869 -7.810 607 HD22 LEU 80 HD22 LEU 80 -3.487 8.258 -6.461 608 HD23 LEU 80 HD23 LEU 80 -3.116 8.856 -8.081 609 H ARG 81 H ARG 81 -3.280 13.792 -4.803 610 HA ARG 81 HA ARG 81 -2.667 15.911 -6.766 611 HB2 ARG 81 HB2 ARG 81 -2.807 15.936 -3.738 612 HB3 ARG 81 HB3 ARG 81 -2.352 17.317 -4.734 613 HG2 ARG 81 HG2 ARG 81 -4.532 17.263 -5.854 614 HG3 ARG 81 HG3 ARG 81 -4.997 15.836 -4.933 615 HD2 ARG 81 HD2 ARG 81 -4.241 18.484 -3.667 616 HD3 ARG 81 HD3 ARG 81 -5.900 17.991 -4.000 617 HE ARG 81 HE ARG 81 -4.786 15.911 -2.566 618 HH11 ARG 81 HH11 ARG 81 -5.649 19.258 -2.102 619 HH12 ARG 81 HH12 ARG 81 -5.251 19.191 -0.416 620 HH21 ARG 81 HH21 ARG 81 -5.394 15.724 -0.339 621 HH22 ARG 81 HH22 ARG 81 -5.022 17.132 0.595 622 H GLN 82 H GLN 82 -0.596 16.392 -7.266 623 HA GLN 82 HA GLN 82 1.507 15.018 -5.698 624 HB2 GLN 82 HB2 GLN 82 1.233 14.175 -8.004 625 HB3 GLN 82 HB3 GLN 82 1.562 15.789 -8.625 626 HG2 GLN 82 HG2 GLN 82 3.602 14.473 -8.711 627 HG3 GLN 82 HG3 GLN 82 3.786 15.713 -7.470 628 HE21 GLN 82 HE21 GLN 82 5.319 14.465 -6.203 629 HE22 GLN 82 HE22 GLN 82 4.845 13.082 -5.347 630 H LYS 83 H LYS 83 2.069 16.421 -4.344 631 HA LYS 83 HA LYS 83 3.656 18.754 -5.237 632 HB2 LYS 83 HB2 LYS 83 1.918 18.487 -2.747 633 HB3 LYS 83 HB3 LYS 83 3.066 19.794 -3.035 634 HG2 LYS 83 HG2 LYS 83 1.843 20.448 -5.066 635 HG3 LYS 83 HG3 LYS 83 0.704 19.126 -4.827 636 HD2 LYS 83 HD2 LYS 83 -0.001 20.123 -2.678 637 HD3 LYS 83 HD3 LYS 83 1.127 21.455 -2.923 638 HE2 LYS 83 HE2 LYS 83 -0.061 22.078 -4.998 639 HE3 LYS 83 HE3 LYS 83 -1.178 20.737 -4.758 640 HZ1 LYS 83 HZ1 LYS 83 -0.956 22.392 -2.438 641 HZ2 LYS 83 HZ2 LYS 83 -2.343 21.910 -3.289 642 HZ3 LYS 83 HZ3 LYS 83 -1.471 23.274 -3.791 643 H ARG 84 H ARG 84 5.331 19.045 -3.083 644 HA ARG 84 HA ARG 84 6.354 16.257 -2.723 645 HB2 ARG 84 HB2 ARG 84 7.390 18.995 -1.847 646 HB3 ARG 84 HB3 ARG 84 8.190 17.464 -1.523 647 HG2 ARG 84 HG2 ARG 84 8.566 17.103 -3.912 648 HG3 ARG 84 HG3 ARG 84 7.686 18.589 -4.288 649 HD2 ARG 84 HD2 ARG 84 9.307 19.885 -2.959 650 HD3 ARG 84 HD3 ARG 84 10.197 18.412 -2.596 651 HE ARG 84 HE ARG 84 10.042 18.643 -5.384 652 HH11 ARG 84 HH11 ARG 84 11.371 20.351 -2.660 653 HH12 ARG 84 HH12 ARG 84 12.533 21.203 -3.616 654 HH21 ARG 84 HH21 ARG 84 11.550 19.815 -6.594 655 HH22 ARG 84 HH22 ARG 84 12.671 20.869 -5.796 656 H MET 85 H MET 85 3.768 17.034 -1.712 657 HA MET 85 HA MET 85 4.467 15.548 0.706 658 HB2 MET 85 HB2 MET 85 3.471 18.097 0.894 659 HB3 MET 85 HB3 MET 85 1.979 17.179 0.808 660 HG2 MET 85 HG2 MET 85 2.570 17.431 3.137 661 HG3 MET 85 HG3 MET 85 2.863 15.747 2.707 662 HE1 MET 85 HE1 MET 85 5.432 15.659 4.982 663 HE2 MET 85 HE2 MET 85 3.725 16.103 4.944 664 HE3 MET 85 HE3 MET 85 4.937 17.297 5.407 665 HA PRO 86 HA PRO 86 1.705 13.393 -2.274 666 HB2 PRO 86 HB2 PRO 86 1.824 11.043 -0.459 667 HB3 PRO 86 HB3 PRO 86 2.167 11.148 -2.191 668 HG2 PRO 86 HG2 PRO 86 4.095 10.894 -0.291 669 HG3 PRO 86 HG3 PRO 86 4.350 11.679 -1.856 670 HD2 PRO 86 HD2 PRO 86 4.126 12.897 0.841 671 HD3 PRO 86 HD3 PRO 86 4.925 13.520 -0.620 672 H HIS 87 H HIS 87 -0.495 13.380 -2.285 673 HA HIS 87 HA HIS 87 -1.979 12.763 0.147 674 HB2 HIS 87 HB2 HIS 87 -2.317 15.391 -1.327 675 HB3 HIS 87 HB3 HIS 87 -3.416 14.783 -0.091 676 HD1 HIS 87 HD1 HIS 87 -2.224 14.235 2.317 677 HD2 HIS 87 HD2 HIS 87 -0.310 16.957 -0.228 678 HE1 HIS 87 HE1 HIS 87 -0.228 15.177 3.593 679 HE2 HIS 87 HE2 HIS 87 0.633 17.138 2.213 680 H ILE 88 H ILE 88 -3.898 11.809 -0.229 681 HA ILE 88 HA ILE 88 -5.186 12.279 -2.834 682 HB ILE 88 HB ILE 88 -6.152 10.029 -2.793 683 HG12 ILE 88 HG12 ILE 88 -4.278 9.479 -0.472 684 HG13 ILE 88 HG13 ILE 88 -6.004 9.776 -0.278 685 HG21 ILE 88 HG21 ILE 88 -3.124 10.101 -2.562 686 HG22 ILE 88 HG22 ILE 88 -4.065 10.401 -4.024 687 HG23 ILE 88 HG23 ILE 88 -4.053 8.793 -3.297 688 HD11 ILE 88 HD11 ILE 88 -4.972 7.628 -2.134 689 HD12 ILE 88 HD12 ILE 88 -6.592 7.810 -1.459 690 HD13 ILE 88 HD13 ILE 88 -5.252 7.327 -0.420 691 H VAL 89 H VAL 89 -7.352 12.744 -2.753 692 HA VAL 89 HA VAL 89 -8.633 12.714 -0.084 693 HB VAL 89 HB VAL 89 -10.072 14.588 -0.992 694 HG11 VAL 89 HG11 VAL 89 -7.731 14.634 0.401 695 HG12 VAL 89 HG12 VAL 89 -8.692 16.068 0.043 696 HG13 VAL 89 HG13 VAL 89 -7.311 15.653 -0.974 697 HG21 VAL 89 HG21 VAL 89 -9.472 15.760 -2.916 698 HG22 VAL 89 HG22 VAL 89 -9.169 14.100 -3.416 699 HG23 VAL 89 HG23 VAL 89 -7.827 15.126 -2.916 700 H VAL 90 H VAL 90 -10.539 11.731 0.126 701 HA VAL 90 HA VAL 90 -11.624 10.382 -2.281 702 HB VAL 90 HB VAL 90 -11.119 9.326 0.510 703 HG11 VAL 90 HG11 VAL 90 -13.197 8.364 0.051 704 HG12 VAL 90 HG12 VAL 90 -12.069 7.163 -0.579 705 HG13 VAL 90 HG13 VAL 90 -12.885 8.269 -1.684 706 HG21 VAL 90 HG21 VAL 90 -9.904 7.558 -0.843 707 HG22 VAL 90 HG22 VAL 90 -9.174 9.162 -0.876 708 HG23 VAL 90 HG23 VAL 90 -10.125 8.595 -2.249 709 H LYS 91 H LYS 91 -13.779 10.580 -2.557 710 HA LYS 91 HA LYS 91 -15.354 11.751 -0.336 711 HB2 LYS 91 HB2 LYS 91 -16.877 12.169 -2.603 712 HB3 LYS 91 HB3 LYS 91 -15.954 13.384 -1.744 713 HG2 LYS 91 HG2 LYS 91 -14.869 11.747 -4.036 714 HG3 LYS 91 HG3 LYS 91 -15.573 13.346 -4.211 715 HD2 LYS 91 HD2 LYS 91 -13.830 14.286 -2.746 716 HD3 LYS 91 HD3 LYS 91 -13.101 12.694 -2.574 717 HE2 LYS 91 HE2 LYS 91 -12.737 12.595 -5.014 718 HE3 LYS 91 HE3 LYS 91 -13.470 14.190 -5.177 719 HZ1 LYS 91 HZ1 LYS 91 -11.044 13.564 -3.584 720 HZ2 LYS 91 HZ2 LYS 91 -11.742 15.099 -3.770 721 HZ3 LYS 91 HZ3 LYS 91 -11.054 14.313 -5.109 722 H CYS 92 H CYS 92 -17.203 10.679 0.223 723 HA CYS 92 HA CYS 92 -17.849 8.149 -1.128 724 HB2 CYS 92 HB2 CYS 92 -19.038 9.615 1.245 725 HB3 CYS 92 HB3 CYS 92 -19.568 8.026 0.690 726 H LEU 93 H LEU 93 -19.274 8.206 -2.836 727 HA LEU 93 HA LEU 93 -21.241 10.271 -3.190 728 HB2 LEU 93 HB2 LEU 93 -21.007 7.463 -4.285 729 HB3 LEU 93 HB3 LEU 93 -22.303 8.575 -4.715 730 HG LEU 93 HG LEU 93 -19.363 9.247 -5.012 731 HD11 LEU 93 HD11 LEU 93 -20.860 7.437 -6.575 732 HD12 LEU 93 HD12 LEU 93 -19.283 8.135 -6.944 733 HD13 LEU 93 HD13 LEU 93 -20.753 8.922 -7.516 734 HD21 LEU 93 HD21 LEU 93 -20.452 10.921 -6.670 735 HD22 LEU 93 HD22 LEU 93 -20.533 11.266 -4.943 736 HD23 LEU 93 HD23 LEU 93 -21.938 10.600 -5.777 737 H GLU 94 H GLU 94 -21.331 7.015 -1.695 738 HA GLU 94 HA GLU 94 -24.112 7.169 -1.124 739 HB2 GLU 94 HB2 GLU 94 -21.985 5.371 0.045 740 HB3 GLU 94 HB3 GLU 94 -23.713 5.220 0.363 741 HG2 GLU 94 HG2 GLU 94 -24.157 4.934 -2.032 742 HG3 GLU 94 HG3 GLU 94 -22.445 5.139 -2.383 743 H CYS 95 H CYS 95 -21.256 7.639 0.929 744 HA CYS 95 HA CYS 95 -22.807 8.454 3.205 745 HB2 CYS 95 HB2 CYS 95 -19.845 8.855 2.780 746 HB3 CYS 95 HB3 CYS 95 -20.725 9.019 4.279 747 H GLY 96 H GLY 96 -21.324 10.050 0.496 748 HA2 GLY 96 HA2 GLY 96 -21.816 12.141 -0.359 749 HA3 GLY 96 HA3 GLY 96 -22.819 12.448 1.051 750 H HIS 97 H HIS 97 -19.646 11.396 1.745 751 HA HIS 97 HA HIS 97 -18.946 14.133 2.595 752 HB2 HIS 97 HB2 HIS 97 -18.818 11.579 4.198 753 HB3 HIS 97 HB3 HIS 97 -17.963 13.051 4.663 754 HD1 HIS 97 HD1 HIS 97 -21.499 11.754 4.044 755 HD2 HIS 97 HD2 HIS 97 -19.626 15.218 5.425 756 HE1 HIS 97 HE1 HIS 97 -23.229 13.029 5.425 757 HE2 HIS 97 HE2 HIS 97 -22.153 15.234 6.095 758 H ILE 98 H ILE 98 -16.855 14.706 2.752 759 HA ILE 98 HA ILE 98 -15.000 13.197 1.082 760 HB ILE 98 HB ILE 98 -15.338 15.577 0.629 761 HG12 ILE 98 HG12 ILE 98 -12.963 16.290 0.651 762 HG13 ILE 98 HG13 ILE 98 -12.583 14.951 1.730 763 HG21 ILE 98 HG21 ILE 98 -14.032 16.156 3.294 764 HG22 ILE 98 HG22 ILE 98 -15.782 16.158 3.080 765 HG23 ILE 98 HG23 ILE 98 -14.784 17.299 2.182 766 HD11 ILE 98 HD11 ILE 98 -14.045 14.088 -0.657 767 HD12 ILE 98 HD12 ILE 98 -12.547 13.467 0.041 768 HD13 ILE 98 HD13 ILE 98 -12.508 14.868 -1.031 769 H MET 99 H MET 99 -13.470 12.018 1.809 770 HA MET 99 HA MET 99 -12.363 12.419 4.520 771 HB2 MET 99 HB2 MET 99 -13.405 10.195 4.132 772 HB3 MET 99 HB3 MET 99 -12.307 9.937 2.779 773 HG2 MET 99 HG2 MET 99 -10.375 10.082 4.276 774 HG3 MET 99 HG3 MET 99 -11.429 10.437 5.643 775 HE1 MET 99 HE1 MET 99 -10.540 8.268 2.826 776 HE2 MET 99 HE2 MET 99 -12.055 7.364 2.772 777 HE3 MET 99 HE3 MET 99 -10.599 6.608 3.417 778 H ARG 100 H ARG 100 -10.296 13.054 4.660 779 HA ARG 100 HA ARG 100 -8.646 13.131 2.226 780 HB2 ARG 100 HB2 ARG 100 -8.355 14.435 4.950 781 HB3 ARG 100 HB3 ARG 100 -7.169 14.581 3.654 782 HG2 ARG 100 HG2 ARG 100 -8.877 15.579 2.190 783 HG3 ARG 100 HG3 ARG 100 -10.087 15.399 3.458 784 HD2 ARG 100 HD2 ARG 100 -8.762 16.880 4.928 785 HD3 ARG 100 HD3 ARG 100 -7.565 17.075 3.651 786 HE ARG 100 HE ARG 100 -10.222 18.261 3.761 787 HH11 ARG 100 HH11 ARG 100 -7.516 17.423 1.754 788 HH12 ARG 100 HH12 ARG 100 -7.927 18.588 0.539 789 HH21 ARG 100 HH21 ARG 100 -10.756 19.630 1.973 790 HH22 ARG 100 HH22 ARG 100 -9.415 20.252 1.079 791 H TYR 101 H TYR 101 -6.833 11.917 1.997 792 HA TYR 101 HA TYR 101 -5.919 10.338 4.326 793 HB2 TYR 101 HB2 TYR 101 -7.036 9.289 2.011 794 HB3 TYR 101 HB3 TYR 101 -5.304 9.145 1.729 795 HD1 TYR 101 HD1 TYR 101 -4.004 8.480 4.091 796 HD2 TYR 101 HD2 TYR 101 -7.928 7.290 2.815 797 HE1 TYR 101 HE1 TYR 101 -3.997 6.639 5.751 798 HE2 TYR 101 HE2 TYR 101 -7.748 5.244 4.194 799 HH TYR 101 HH TYR 101 -6.463 4.755 6.523 800 HA PRO 102 HA PRO 102 -2.124 12.672 3.133 801 HB2 PRO 102 HB2 PRO 102 -1.386 11.788 5.867 802 HB3 PRO 102 HB3 PRO 102 -1.328 13.412 5.157 803 HG2 PRO 102 HG2 PRO 102 -3.150 12.758 6.990 804 HG3 PRO 102 HG3 PRO 102 -3.527 13.854 5.648 805 HD2 PRO 102 HD2 PRO 102 -4.221 10.934 5.956 806 HD3 PRO 102 HD3 PRO 102 -5.223 12.270 5.339 807 H TYR 103 H TYR 103 -0.272 11.755 2.327 808 HA TYR 103 HA TYR 103 0.627 9.208 3.479 809 HB2 TYR 103 HB2 TYR 103 -0.630 8.708 1.377 810 HB3 TYR 103 HB3 TYR 103 0.506 9.726 0.497 811 HD1 TYR 103 HD1 TYR 103 0.112 6.618 2.431 812 HD2 TYR 103 HD2 TYR 103 2.799 8.985 0.076 813 HE1 TYR 103 HE1 TYR 103 1.537 4.624 2.072 814 HE2 TYR 103 HE2 TYR 103 4.324 7.034 -0.126 815 HH TYR 103 HH TYR 103 4.649 4.782 1.087 816 H ILE 104 H ILE 104 2.751 9.259 3.959 817 HA ILE 104 HA ILE 104 4.393 11.421 2.767 818 HB ILE 104 HB ILE 104 4.699 10.032 5.442 819 HG12 ILE 104 HG12 ILE 104 4.036 12.927 4.827 820 HG13 ILE 104 HG13 ILE 104 2.820 11.710 5.202 821 HG21 ILE 104 HG21 ILE 104 6.437 11.912 5.733 822 HG22 ILE 104 HG22 ILE 104 6.364 12.096 3.985 823 HG23 ILE 104 HG23 ILE 104 6.895 10.569 4.688 824 HD11 ILE 104 HD11 ILE 104 4.011 11.259 7.361 825 HD12 ILE 104 HD12 ILE 104 3.362 12.895 7.243 826 HD13 ILE 104 HD13 ILE 104 5.083 12.611 7.004 827 H LYS 105 H LYS 105 6.046 10.877 1.568 828 HA LYS 105 HA LYS 105 6.830 9.041 0.107 829 HB2 LYS 105 HB2 LYS 105 8.719 9.987 2.257 830 HB3 LYS 105 HB3 LYS 105 9.235 9.051 0.860 831 HG2 LYS 105 HG2 LYS 105 8.356 10.788 -0.645 832 HG3 LYS 105 HG3 LYS 105 7.802 11.724 0.741 833 HD2 LYS 105 HD2 LYS 105 10.149 11.869 1.554 834 HD3 LYS 105 HD3 LYS 105 10.684 10.995 0.122 835 HE2 LYS 105 HE2 LYS 105 9.160 13.612 0.025 836 HE3 LYS 105 HE3 LYS 105 10.915 13.494 -0.058 837 HZ1 LYS 105 HZ1 LYS 105 8.984 12.266 -1.945 838 HZ2 LYS 105 HZ2 LYS 105 10.666 12.047 -1.998 839 HZ3 LYS 105 HZ3 LYS 105 10.004 13.585 -2.264 Start of MODEL 18 1 H LYS 15 H LYS 15 -18.409 -18.431 4.719 2 HA LYS 15 HA LYS 15 -17.189 -17.450 2.995 3 HB2 LYS 15 HB2 LYS 15 -16.371 -19.627 3.826 4 HB3 LYS 15 HB3 LYS 15 -17.250 -20.454 2.543 5 HG2 LYS 15 HG2 LYS 15 -15.922 -19.218 0.859 6 HG3 LYS 15 HG3 LYS 15 -15.058 -18.381 2.147 7 HD2 LYS 15 HD2 LYS 15 -14.229 -20.550 3.006 8 HD3 LYS 15 HD3 LYS 15 -15.073 -21.382 1.704 9 HE2 LYS 15 HE2 LYS 15 -13.721 -20.169 0.040 10 HE3 LYS 15 HE3 LYS 15 -12.886 -19.312 1.337 11 HZ1 LYS 15 HZ1 LYS 15 -12.784 -22.181 0.671 12 HZ2 LYS 15 HZ2 LYS 15 -12.347 -21.623 2.213 13 HZ3 LYS 15 HZ3 LYS 15 -11.494 -21.090 0.846 14 H GLU 16 H GLU 16 -18.892 -20.150 1.429 15 HA GLU 16 HA GLU 16 -18.890 -18.994 -1.154 16 HB2 GLU 16 HB2 GLU 16 -19.141 -21.404 -0.709 17 HB3 GLU 16 HB3 GLU 16 -20.746 -21.094 -0.031 18 HG2 GLU 16 HG2 GLU 16 -21.500 -20.220 -2.187 19 HG3 GLU 16 HG3 GLU 16 -19.889 -20.453 -2.862 20 H ARG 17 H ARG 17 -21.394 -19.046 1.361 21 HA ARG 17 HA ARG 17 -23.453 -17.864 -0.102 22 HB2 ARG 17 HB2 ARG 17 -23.744 -18.949 2.088 23 HB3 ARG 17 HB3 ARG 17 -22.917 -17.606 2.863 24 HG2 ARG 17 HG2 ARG 17 -24.648 -16.050 2.013 25 HG3 ARG 17 HG3 ARG 17 -25.485 -17.410 1.266 26 HD2 ARG 17 HD2 ARG 17 -25.769 -18.459 3.476 27 HD3 ARG 17 HD3 ARG 17 -24.919 -17.115 4.238 28 HE ARG 17 HE ARG 17 -26.750 -15.689 3.713 29 HH11 ARG 17 HH11 ARG 17 -27.255 -18.892 2.428 30 HH12 ARG 17 HH12 ARG 17 -28.952 -18.904 2.798 31 HH21 ARG 17 HH21 ARG 17 -28.944 -15.449 3.377 32 HH22 ARG 17 HH22 ARG 17 -29.916 -16.802 2.901 33 H ILE 18 H ILE 18 -21.040 -16.298 2.005 34 HA ILE 18 HA ILE 18 -21.974 -13.676 1.547 35 HB ILE 18 HB ILE 18 -20.632 -14.345 3.495 36 HG12 ILE 18 HG12 ILE 18 -19.295 -12.127 1.941 37 HG13 ILE 18 HG13 ILE 18 -20.905 -11.965 2.662 38 HG21 ILE 18 HG21 ILE 18 -18.945 -15.743 2.621 39 HG22 ILE 18 HG22 ILE 18 -18.099 -14.296 3.145 40 HG23 ILE 18 HG23 ILE 18 -18.442 -14.542 1.434 41 HD11 ILE 18 HD11 ILE 18 -18.445 -12.773 4.233 42 HD12 ILE 18 HD12 ILE 18 -20.031 -12.339 4.871 43 HD13 ILE 18 HD13 ILE 18 -19.021 -11.109 4.114 44 H ASP 19 H ASP 19 -19.641 -15.693 -0.041 45 HA ASP 19 HA ASP 19 -18.312 -13.779 -1.620 46 HB2 ASP 19 HB2 ASP 19 -18.767 -16.747 -1.789 47 HB3 ASP 19 HB3 ASP 19 -18.005 -15.908 -3.134 48 H ILE 20 H ILE 20 -21.209 -15.735 -2.261 49 HA ILE 20 HA ILE 20 -21.665 -14.901 -4.905 50 HB ILE 20 HB ILE 20 -23.564 -15.779 -2.725 51 HG12 ILE 20 HG12 ILE 20 -22.579 -17.298 -5.160 52 HG13 ILE 20 HG13 ILE 20 -21.774 -17.373 -3.602 53 HG21 ILE 20 HG21 ILE 20 -24.051 -14.955 -5.559 54 HG22 ILE 20 HG22 ILE 20 -25.094 -14.796 -4.151 55 HG23 ILE 20 HG23 ILE 20 -24.931 -16.352 -4.955 56 HD11 ILE 20 HD11 ILE 20 -23.236 -19.188 -3.456 57 HD12 ILE 20 HD12 ILE 20 -24.499 -18.380 -4.386 58 HD13 ILE 20 HD13 ILE 20 -24.208 -17.916 -2.713 59 H LEU 21 H LEU 21 -22.782 -13.598 -1.820 60 HA LEU 21 HA LEU 21 -24.354 -11.511 -2.853 61 HB2 LEU 21 HB2 LEU 21 -24.569 -12.307 -0.550 62 HB3 LEU 21 HB3 LEU 21 -22.949 -11.717 -0.190 63 HG LEU 21 HG LEU 21 -23.654 -9.412 -0.620 64 HD11 LEU 21 HD11 LEU 21 -26.242 -9.115 -0.884 65 HD12 LEU 21 HD12 LEU 21 -26.200 -10.768 -1.498 66 HD13 LEU 21 HD13 LEU 21 -25.278 -9.499 -2.308 67 HD21 LEU 21 HD21 LEU 21 -25.082 -9.121 1.289 68 HD22 LEU 21 HD22 LEU 21 -24.091 -10.542 1.627 69 HD23 LEU 21 HD23 LEU 21 -25.764 -10.735 1.103 70 H PHE 22 H PHE 22 -20.947 -11.684 -1.970 71 HA PHE 22 HA PHE 22 -20.231 -9.006 -2.234 72 HB2 PHE 22 HB2 PHE 22 -18.745 -10.766 -1.350 73 HB3 PHE 22 HB3 PHE 22 -18.631 -11.488 -2.952 74 HD1 PHE 22 HD1 PHE 22 -17.365 -8.939 -0.729 75 HD2 PHE 22 HD2 PHE 22 -17.210 -10.570 -4.642 76 HE1 PHE 22 HE1 PHE 22 -15.761 -7.121 -1.414 77 HE2 PHE 22 HE2 PHE 22 -15.337 -9.031 -5.195 78 HZ PHE 22 HZ PHE 22 -14.446 -7.512 -3.468 79 H SER 23 H SER 23 -20.432 -11.578 -4.673 80 HA SER 23 HA SER 23 -19.494 -10.051 -6.894 81 HB2 SER 23 HB2 SER 23 -19.661 -12.512 -6.950 82 HB3 SER 23 HB3 SER 23 -21.417 -12.387 -6.843 83 HG SER 23 HG SER 23 -20.892 -12.575 -8.981 84 H LEU 24 H LEU 24 -22.769 -10.681 -5.612 85 HA LEU 24 HA LEU 24 -24.192 -9.178 -7.500 86 HB2 LEU 24 HB2 LEU 24 -24.788 -9.757 -4.591 87 HB3 LEU 24 HB3 LEU 24 -25.933 -8.963 -5.662 88 HG LEU 24 HG LEU 24 -24.701 -11.672 -6.246 89 HD11 LEU 24 HD11 LEU 24 -27.490 -11.129 -5.216 90 HD12 LEU 24 HD12 LEU 24 -26.155 -11.539 -4.143 91 HD13 LEU 24 HD13 LEU 24 -26.678 -12.685 -5.373 92 HD21 LEU 24 HD21 LEU 24 -26.650 -9.871 -7.593 93 HD22 LEU 24 HD22 LEU 24 -27.043 -11.586 -7.588 94 HD23 LEU 24 HD23 LEU 24 -25.526 -11.035 -8.291 95 H ALA 25 H ALA 25 -22.795 -8.216 -4.396 96 HA ALA 25 HA ALA 25 -23.601 -5.529 -4.428 97 HB1 ALA 25 HB1 ALA 25 -22.761 -6.391 -2.383 98 HB2 ALA 25 HB2 ALA 25 -21.566 -5.210 -2.915 99 HB3 ALA 25 HB3 ALA 25 -21.264 -6.934 -3.134 100 H GLU 26 H GLU 26 -20.741 -7.126 -5.756 101 HA GLU 26 HA GLU 26 -19.379 -4.836 -6.583 102 HB2 GLU 26 HB2 GLU 26 -18.367 -7.050 -6.390 103 HB3 GLU 26 HB3 GLU 26 -19.310 -7.617 -7.773 104 HG2 GLU 26 HG2 GLU 26 -18.204 -5.966 -9.218 105 HG3 GLU 26 HG3 GLU 26 -17.298 -5.352 -7.835 106 H ARG 27 H ARG 27 -21.710 -6.870 -8.354 107 HA ARG 27 HA ARG 27 -21.455 -5.540 -10.840 108 HB2 ARG 27 HB2 ARG 27 -22.433 -7.778 -10.626 109 HB3 ARG 27 HB3 ARG 27 -23.812 -7.100 -9.760 110 HG2 ARG 27 HG2 ARG 27 -24.321 -5.681 -11.741 111 HG3 ARG 27 HG3 ARG 27 -22.964 -6.402 -12.598 112 HD2 ARG 27 HD2 ARG 27 -24.035 -8.642 -12.336 113 HD3 ARG 27 HD3 ARG 27 -25.435 -7.850 -11.615 114 HE ARG 27 HE ARG 27 -24.587 -7.743 -14.419 115 HH11 ARG 27 HH11 ARG 27 -26.376 -5.928 -12.022 116 HH12 ARG 27 HH12 ARG 27 -27.866 -6.075 -12.892 117 HH21 ARG 27 HH21 ARG 27 -26.400 -7.041 -15.843 118 HH22 ARG 27 HH22 ARG 27 -26.851 -5.478 -15.251 119 H VAL 28 H VAL 28 -23.763 -5.141 -8.199 120 HA VAL 28 HA VAL 28 -25.295 -3.104 -9.404 121 HB VAL 28 HB VAL 28 -26.112 -4.412 -7.500 122 HG11 VAL 28 HG11 VAL 28 -24.124 -2.836 -5.852 123 HG12 VAL 28 HG12 VAL 28 -23.913 -4.518 -6.329 124 HG13 VAL 28 HG13 VAL 28 -25.245 -4.067 -5.266 125 HG21 VAL 28 HG21 VAL 28 -27.133 -2.217 -7.903 126 HG22 VAL 28 HG22 VAL 28 -25.893 -1.441 -6.920 127 HG23 VAL 28 HG23 VAL 28 -27.040 -2.547 -6.174 128 H PHE 29 H PHE 29 -22.406 -3.099 -7.479 129 HA PHE 29 HA PHE 29 -22.188 -0.621 -6.479 130 HB2 PHE 29 HB2 PHE 29 -20.480 -2.752 -6.890 131 HB3 PHE 29 HB3 PHE 29 -19.685 -1.446 -7.763 132 HD1 PHE 29 HD1 PHE 29 -18.837 0.493 -6.673 133 HD2 PHE 29 HD2 PHE 29 -20.867 -2.504 -4.404 134 HE1 PHE 29 HE1 PHE 29 -18.147 1.486 -4.500 135 HE2 PHE 29 HE2 PHE 29 -21.094 -0.900 -2.536 136 HZ PHE 29 HZ PHE 29 -19.539 1.021 -2.499 137 HA PRO 30 HA PRO 30 -20.447 1.406 -10.534 138 HB2 PRO 30 HB2 PRO 30 -20.803 -0.002 -12.873 139 HB3 PRO 30 HB3 PRO 30 -19.312 -0.034 -11.921 140 HG2 PRO 30 HG2 PRO 30 -21.555 -1.995 -12.011 141 HG3 PRO 30 HG3 PRO 30 -19.811 -2.285 -11.950 142 HD2 PRO 30 HD2 PRO 30 -21.393 -2.489 -9.745 143 HD3 PRO 30 HD3 PRO 30 -19.702 -1.950 -9.658 144 H TYR 31 H TYR 31 -23.308 -0.647 -10.691 145 HA TYR 31 HA TYR 31 -24.786 0.873 -12.599 146 HB2 TYR 31 HB2 TYR 31 -25.452 -1.171 -10.525 147 HB3 TYR 31 HB3 TYR 31 -26.758 -0.245 -11.250 148 HD1 TYR 31 HD1 TYR 31 -23.574 -1.502 -12.830 149 HD2 TYR 31 HD2 TYR 31 -27.816 -2.001 -12.443 150 HE1 TYR 31 HE1 TYR 31 -23.575 -3.074 -14.742 151 HE2 TYR 31 HE2 TYR 31 -27.867 -3.122 -14.671 152 HH TYR 31 HH TYR 31 -25.351 -3.487 -16.685 153 H SER 32 H SER 32 -24.714 0.874 -9.062 154 HA SER 32 HA SER 32 -25.284 3.663 -8.921 155 HB2 SER 32 HB2 SER 32 -27.583 2.818 -9.347 156 HB3 SER 32 HB3 SER 32 -27.443 1.801 -7.914 157 HG SER 32 HG SER 32 -28.360 3.591 -7.149 158 HA PRO 33 HA PRO 33 -23.002 2.712 -5.129 159 HB2 PRO 33 HB2 PRO 33 -23.935 5.508 -4.527 160 HB3 PRO 33 HB3 PRO 33 -22.319 4.806 -4.363 161 HG2 PRO 33 HG2 PRO 33 -22.861 6.424 -6.378 162 HG3 PRO 33 HG3 PRO 33 -21.907 4.951 -6.648 163 HD2 PRO 33 HD2 PRO 33 -24.797 5.453 -7.305 164 HD3 PRO 33 HD3 PRO 33 -23.550 4.594 -8.246 165 H GLU 34 H GLU 34 -26.105 4.407 -5.154 166 HA GLU 34 HA GLU 34 -26.911 3.832 -2.534 167 HB2 GLU 34 HB2 GLU 34 -27.909 5.581 -3.927 168 HB3 GLU 34 HB3 GLU 34 -28.619 4.359 -4.973 169 HG2 GLU 34 HG2 GLU 34 -29.864 3.444 -3.062 170 HG3 GLU 34 HG3 GLU 34 -29.127 4.634 -2.007 171 H LEU 35 H LEU 35 -27.470 1.988 -5.520 172 HA LEU 35 HA LEU 35 -29.293 0.109 -4.337 173 HB2 LEU 35 HB2 LEU 35 -27.584 -0.017 -6.834 174 HB3 LEU 35 HB3 LEU 35 -28.695 -1.293 -6.338 175 HG LEU 35 HG LEU 35 -29.572 1.581 -6.711 176 HD11 LEU 35 HD11 LEU 35 -28.766 -0.218 -8.739 177 HD12 LEU 35 HD12 LEU 35 -29.659 1.288 -8.934 178 HD13 LEU 35 HD13 LEU 35 -30.527 -0.232 -8.740 179 HD21 LEU 35 HD21 LEU 35 -31.586 0.844 -6.026 180 HD22 LEU 35 HD22 LEU 35 -30.807 -0.654 -5.524 181 HD23 LEU 35 HD23 LEU 35 -31.532 -0.532 -7.123 182 H ALA 36 H ALA 36 -25.840 0.276 -4.873 183 HA ALA 36 HA ALA 36 -25.123 -2.296 -3.930 184 HB1 ALA 36 HB1 ALA 36 -23.176 -0.167 -3.469 185 HB2 ALA 36 HB2 ALA 36 -23.794 -0.225 -5.122 186 HB3 ALA 36 HB3 ALA 36 -23.023 -1.645 -4.419 187 H LYS 37 H LYS 37 -25.560 0.788 -2.319 188 HA LYS 37 HA LYS 37 -24.414 0.204 0.153 189 HB2 LYS 37 HB2 LYS 37 -24.985 2.438 -0.592 190 HB3 LYS 37 HB3 LYS 37 -26.696 2.042 -0.616 191 HG2 LYS 37 HG2 LYS 37 -26.208 3.316 1.380 192 HG3 LYS 37 HG3 LYS 37 -26.602 1.667 1.851 193 HD2 LYS 37 HD2 LYS 37 -24.335 1.149 2.330 194 HD3 LYS 37 HD3 LYS 37 -23.751 2.600 1.503 195 HE2 LYS 37 HE2 LYS 37 -24.266 3.960 3.266 196 HE3 LYS 37 HE3 LYS 37 -25.729 3.060 3.659 197 HZ1 LYS 37 HZ1 LYS 37 -24.643 1.725 5.058 198 HZ2 LYS 37 HZ2 LYS 37 -23.501 2.983 5.114 199 HZ3 LYS 37 HZ3 LYS 37 -23.248 1.650 4.092 200 H ARG 38 H ARG 38 -27.873 -0.077 -0.778 201 HA ARG 38 HA ARG 38 -28.685 -1.200 1.633 202 HB2 ARG 38 HB2 ARG 38 -29.866 -1.397 -1.121 203 HB3 ARG 38 HB3 ARG 38 -30.640 -2.106 0.294 204 HG2 ARG 38 HG2 ARG 38 -30.623 0.099 1.426 205 HG3 ARG 38 HG3 ARG 38 -29.850 0.815 0.024 206 HD2 ARG 38 HD2 ARG 38 -32.554 -0.578 -0.063 207 HD3 ARG 38 HD3 ARG 38 -32.342 1.156 0.117 208 HE ARG 38 HE ARG 38 -31.785 -0.453 -2.284 209 HH11 ARG 38 HH11 ARG 38 -31.333 2.676 -0.669 210 HH12 ARG 38 HH12 ARG 38 -31.767 3.495 -2.129 211 HH21 ARG 38 HH21 ARG 38 -31.323 0.726 -4.146 212 HH22 ARG 38 HH22 ARG 38 -31.178 2.448 -4.065 213 H TYR 39 H TYR 39 -27.415 -2.829 -1.241 214 HA TYR 39 HA TYR 39 -27.819 -5.491 -0.286 215 HB2 TYR 39 HB2 TYR 39 -25.836 -4.388 -2.280 216 HB3 TYR 39 HB3 TYR 39 -26.008 -6.103 -1.908 217 HD1 TYR 39 HD1 TYR 39 -28.538 -6.963 -1.940 218 HD2 TYR 39 HD2 TYR 39 -27.140 -3.498 -4.036 219 HE1 TYR 39 HE1 TYR 39 -30.637 -6.887 -3.238 220 HE2 TYR 39 HE2 TYR 39 -29.059 -3.642 -5.557 221 HH TYR 39 HH TYR 39 -31.338 -6.258 -5.418 222 H VAL 40 H VAL 40 -25.267 -3.129 -0.025 223 HA VAL 40 HA VAL 40 -23.263 -4.723 1.072 224 HB VAL 40 HB VAL 40 -23.867 -1.820 0.858 225 HG11 VAL 40 HG11 VAL 40 -21.565 -2.841 2.538 226 HG12 VAL 40 HG12 VAL 40 -22.995 -2.036 3.184 227 HG13 VAL 40 HG13 VAL 40 -21.916 -1.162 2.114 228 HG21 VAL 40 HG21 VAL 40 -22.588 -3.545 -0.740 229 HG22 VAL 40 HG22 VAL 40 -21.222 -3.060 0.264 230 HG23 VAL 40 HG23 VAL 40 -22.129 -1.848 -0.642 231 H GLU 41 H GLU 41 -25.770 -2.806 2.699 232 HA GLU 41 HA GLU 41 -24.688 -3.089 5.330 233 HB2 GLU 41 HB2 GLU 41 -27.444 -2.313 4.366 234 HB3 GLU 41 HB3 GLU 41 -26.984 -2.359 6.064 235 HG2 GLU 41 HG2 GLU 41 -25.179 -0.763 5.631 236 HG3 GLU 41 HG3 GLU 41 -25.551 -0.769 3.919 237 H LEU 42 H LEU 42 -27.040 -4.750 3.393 238 HA LEU 42 HA LEU 42 -27.800 -6.779 5.141 239 HB2 LEU 42 HB2 LEU 42 -28.878 -6.323 2.978 240 HB3 LEU 42 HB3 LEU 42 -27.421 -6.780 2.121 241 HG LEU 42 HG LEU 42 -27.623 -9.097 2.945 242 HD11 LEU 42 HD11 LEU 42 -28.654 -9.008 5.059 243 HD12 LEU 42 HD12 LEU 42 -29.922 -9.638 4.014 244 HD13 LEU 42 HD13 LEU 42 -29.934 -7.936 4.481 245 HD21 LEU 42 HD21 LEU 42 -29.749 -9.668 1.768 246 HD22 LEU 42 HD22 LEU 42 -28.728 -8.566 0.844 247 HD23 LEU 42 HD23 LEU 42 -30.139 -7.946 1.704 248 H ALA 43 H ALA 43 -24.959 -6.531 3.020 249 HA ALA 43 HA ALA 43 -24.096 -9.221 3.318 250 HB1 ALA 43 HB1 ALA 43 -22.347 -8.617 1.970 251 HB2 ALA 43 HB2 ALA 43 -22.063 -7.110 2.838 252 HB3 ALA 43 HB3 ALA 43 -23.384 -7.224 1.680 253 H LEU 44 H LEU 44 -23.314 -6.259 5.096 254 HA LEU 44 HA LEU 44 -21.331 -7.400 6.781 255 HB2 LEU 44 HB2 LEU 44 -23.072 -4.964 6.961 256 HB3 LEU 44 HB3 LEU 44 -22.126 -5.467 8.353 257 HG LEU 44 HG LEU 44 -21.092 -3.768 6.690 258 HD11 LEU 44 HD11 LEU 44 -18.884 -5.407 6.875 259 HD12 LEU 44 HD12 LEU 44 -19.931 -6.036 8.144 260 HD13 LEU 44 HD13 LEU 44 -19.465 -4.336 8.147 261 HD21 LEU 44 HD21 LEU 44 -21.607 -5.152 4.647 262 HD22 LEU 44 HD22 LEU 44 -20.401 -6.314 5.200 263 HD23 LEU 44 HD23 LEU 44 -19.921 -4.666 4.799 264 H LEU 45 H LEU 45 -24.838 -7.019 7.189 265 HA LEU 45 HA LEU 45 -25.040 -8.326 9.668 266 HB2 LEU 45 HB2 LEU 45 -26.987 -7.756 7.468 267 HB3 LEU 45 HB3 LEU 45 -27.432 -8.872 8.753 268 HG LEU 45 HG LEU 45 -26.856 -7.114 10.426 269 HD11 LEU 45 HD11 LEU 45 -25.280 -5.846 8.906 270 HD12 LEU 45 HD12 LEU 45 -26.455 -4.844 9.750 271 HD13 LEU 45 HD13 LEU 45 -26.703 -5.248 8.053 272 HD21 LEU 45 HD21 LEU 45 -29.169 -7.421 9.655 273 HD22 LEU 45 HD22 LEU 45 -28.875 -6.307 8.318 274 HD23 LEU 45 HD23 LEU 45 -28.847 -5.717 9.980 275 H VAL 46 H VAL 46 -25.138 -9.541 6.349 276 HA VAL 46 HA VAL 46 -25.708 -12.216 6.952 277 HB VAL 46 HB VAL 46 -24.164 -11.000 4.658 278 HG11 VAL 46 HG11 VAL 46 -24.982 -13.354 3.656 279 HG12 VAL 46 HG12 VAL 46 -24.760 -13.843 5.336 280 HG13 VAL 46 HG13 VAL 46 -23.410 -13.163 4.428 281 HG21 VAL 46 HG21 VAL 46 -26.827 -12.295 4.364 282 HG22 VAL 46 HG22 VAL 46 -26.182 -10.857 3.576 283 HG23 VAL 46 HG23 VAL 46 -26.799 -10.755 5.224 284 H GLN 47 H GLN 47 -22.610 -10.479 6.833 285 HA GLN 47 HA GLN 47 -20.954 -12.784 6.909 286 HB2 GLN 47 HB2 GLN 47 -20.155 -10.542 6.239 287 HB3 GLN 47 HB3 GLN 47 -20.409 -9.965 7.885 288 HG2 GLN 47 HG2 GLN 47 -18.781 -11.653 8.705 289 HG3 GLN 47 HG3 GLN 47 -18.508 -12.179 7.047 290 HE21 GLN 47 HE21 GLN 47 -16.437 -11.392 6.572 291 HE22 GLN 47 HE22 GLN 47 -16.012 -9.744 6.630 292 H GLN 48 H GLN 48 -22.020 -10.568 9.531 293 HA GLN 48 HA GLN 48 -20.780 -12.041 11.590 294 HB2 GLN 48 HB2 GLN 48 -22.084 -10.746 13.133 295 HB3 GLN 48 HB3 GLN 48 -21.569 -9.695 11.817 296 HG2 GLN 48 HG2 GLN 48 -23.772 -9.963 10.736 297 HG3 GLN 48 HG3 GLN 48 -24.296 -10.981 12.078 298 HE21 GLN 48 HE21 GLN 48 -26.004 -9.254 12.363 299 HE22 GLN 48 HE22 GLN 48 -25.610 -7.920 13.334 300 H LYS 49 H LYS 49 -24.070 -12.189 10.305 301 HA LYS 49 HA LYS 49 -25.058 -14.121 12.128 302 HB2 LYS 49 HB2 LYS 49 -25.955 -13.295 9.364 303 HB3 LYS 49 HB3 LYS 49 -26.844 -14.430 10.382 304 HG2 LYS 49 HG2 LYS 49 -27.016 -12.753 12.155 305 HG3 LYS 49 HG3 LYS 49 -26.080 -11.608 11.200 306 HD2 LYS 49 HD2 LYS 49 -27.845 -11.732 9.425 307 HD3 LYS 49 HD3 LYS 49 -28.789 -12.785 10.477 308 HE2 LYS 49 HE2 LYS 49 -27.884 -9.996 11.245 309 HE3 LYS 49 HE3 LYS 49 -29.482 -10.380 10.599 310 HZ1 LYS 49 HZ1 LYS 49 -29.633 -12.041 12.470 311 HZ2 LYS 49 HZ2 LYS 49 -29.721 -10.402 12.910 312 HZ3 LYS 49 HZ3 LYS 49 -28.278 -11.267 13.146 313 H ALA 50 H ALA 50 -23.669 -14.425 8.883 314 HA ALA 50 HA ALA 50 -23.737 -17.299 8.903 315 HB1 ALA 50 HB1 ALA 50 -22.076 -15.449 7.186 316 HB2 ALA 50 HB2 ALA 50 -23.735 -15.935 6.827 317 HB3 ALA 50 HB3 ALA 50 -22.450 -17.141 6.853 318 H LYS 51 H LYS 51 -21.734 -14.990 10.358 319 HA LYS 51 HA LYS 51 -19.745 -15.096 11.488 320 HB2 LYS 51 HB2 LYS 51 -21.358 -17.009 12.466 321 HB3 LYS 51 HB3 LYS 51 -20.042 -18.034 11.908 322 HG2 LYS 51 HG2 LYS 51 -18.431 -16.759 13.226 323 HG3 LYS 51 HG3 LYS 51 -19.679 -15.601 13.688 324 HD2 LYS 51 HD2 LYS 51 -20.919 -17.383 14.850 325 HD3 LYS 51 HD3 LYS 51 -19.682 -18.554 14.382 326 HE2 LYS 51 HE2 LYS 51 -17.991 -17.255 15.619 327 HE3 LYS 51 HE3 LYS 51 -19.230 -16.077 16.070 328 HZ1 LYS 51 HZ1 LYS 51 -18.794 -17.721 17.822 329 HZ2 LYS 51 HZ2 LYS 51 -19.307 -18.955 16.770 330 HZ3 LYS 51 HZ3 LYS 51 -20.402 -17.755 17.273 331 H VAL 52 H VAL 52 -18.948 -14.891 9.100 332 HA VAL 52 HA VAL 52 -17.083 -17.126 8.525 333 HB VAL 52 HB VAL 52 -17.260 -16.507 6.125 334 HG11 VAL 52 HG11 VAL 52 -19.731 -17.371 7.626 335 HG12 VAL 52 HG12 VAL 52 -18.566 -18.382 6.774 336 HG13 VAL 52 HG13 VAL 52 -19.667 -17.347 5.864 337 HG21 VAL 52 HG21 VAL 52 -18.003 -14.242 6.156 338 HG22 VAL 52 HG22 VAL 52 -19.376 -14.621 7.194 339 HG23 VAL 52 HG23 VAL 52 -19.355 -15.174 5.521 340 H LYS 53 H LYS 53 -14.999 -16.581 8.446 341 HA LYS 53 HA LYS 53 -14.351 -13.752 8.885 342 HB2 LYS 53 HB2 LYS 53 -12.737 -16.276 9.301 343 HB3 LYS 53 HB3 LYS 53 -12.114 -14.649 9.568 344 HG2 LYS 53 HG2 LYS 53 -13.902 -14.232 11.219 345 HG3 LYS 53 HG3 LYS 53 -14.526 -15.862 10.954 346 HD2 LYS 53 HD2 LYS 53 -12.381 -16.808 11.717 347 HD3 LYS 53 HD3 LYS 53 -11.755 -15.176 11.972 348 HE2 LYS 53 HE2 LYS 53 -13.503 -14.751 13.641 349 HE3 LYS 53 HE3 LYS 53 -14.153 -16.373 13.387 350 HZ1 LYS 53 HZ1 LYS 53 -11.357 -15.862 14.212 351 HZ2 LYS 53 HZ2 LYS 53 -12.195 -17.341 14.237 352 HZ3 LYS 53 HZ3 LYS 53 -12.615 -16.110 15.328 353 H ILE 54 H ILE 54 -13.150 -12.558 7.621 354 HA ILE 54 HA ILE 54 -11.652 -13.688 5.376 355 HB ILE 54 HB ILE 54 -12.735 -11.628 4.052 356 HG12 ILE 54 HG12 ILE 54 -15.189 -12.610 5.454 357 HG13 ILE 54 HG13 ILE 54 -14.215 -11.380 6.259 358 HG21 ILE 54 HG21 ILE 54 -14.353 -13.276 3.082 359 HG22 ILE 54 HG22 ILE 54 -13.974 -14.384 4.397 360 HG23 ILE 54 HG23 ILE 54 -12.721 -13.928 3.245 361 HD11 ILE 54 HD11 ILE 54 -14.698 -9.779 4.716 362 HD12 ILE 54 HD12 ILE 54 -16.163 -10.746 4.538 363 HD13 ILE 54 HD13 ILE 54 -14.839 -10.941 3.393 364 HA PRO 55 HA PRO 55 -9.044 -10.683 7.454 365 HB2 PRO 55 HB2 PRO 55 -7.262 -11.262 5.116 366 HB3 PRO 55 HB3 PRO 55 -6.878 -11.218 6.846 367 HG2 PRO 55 HG2 PRO 55 -7.175 -13.526 5.564 368 HG3 PRO 55 HG3 PRO 55 -7.720 -13.321 7.234 369 HD2 PRO 55 HD2 PRO 55 -9.338 -13.475 4.735 370 HD3 PRO 55 HD3 PRO 55 -9.758 -13.989 6.387 371 H ARG 56 H ARG 56 -9.612 -10.522 3.935 372 HA ARG 56 HA ARG 56 -9.377 -7.583 4.163 373 HB2 ARG 56 HB2 ARG 56 -8.156 -9.380 2.078 374 HB3 ARG 56 HB3 ARG 56 -8.198 -7.619 1.972 375 HG2 ARG 56 HG2 ARG 56 -6.940 -7.442 4.070 376 HG3 ARG 56 HG3 ARG 56 -6.957 -9.194 4.250 377 HD2 ARG 56 HD2 ARG 56 -4.806 -8.533 3.369 378 HD3 ARG 56 HD3 ARG 56 -5.699 -9.369 2.094 379 HE ARG 56 HE ARG 56 -6.178 -6.574 1.964 380 HH11 ARG 56 HH11 ARG 56 -3.683 -8.947 1.395 381 HH12 ARG 56 HH12 ARG 56 -2.811 -7.928 0.292 382 HH21 ARG 56 HH21 ARG 56 -4.922 -5.243 0.591 383 HH22 ARG 56 HH22 ARG 56 -3.843 -6.025 -0.519 384 H LYS 57 H LYS 57 -11.248 -10.180 2.733 385 HA LYS 57 HA LYS 57 -11.894 -8.924 0.358 386 HB2 LYS 57 HB2 LYS 57 -13.472 -10.972 1.901 387 HB3 LYS 57 HB3 LYS 57 -13.931 -10.394 0.302 388 HG2 LYS 57 HG2 LYS 57 -11.774 -11.168 -0.609 389 HG3 LYS 57 HG3 LYS 57 -11.288 -11.708 1.001 390 HD2 LYS 57 HD2 LYS 57 -13.267 -13.224 1.062 391 HD3 LYS 57 HD3 LYS 57 -13.700 -12.712 -0.566 392 HE2 LYS 57 HE2 LYS 57 -11.106 -14.078 0.207 393 HE3 LYS 57 HE3 LYS 57 -12.476 -14.858 -0.589 394 HZ1 LYS 57 HZ1 LYS 57 -10.667 -12.790 -1.652 395 HZ2 LYS 57 HZ2 LYS 57 -12.220 -12.998 -2.307 396 HZ3 LYS 57 HZ3 LYS 57 -11.108 -14.281 -2.346 397 H TRP 58 H TRP 58 -13.785 -8.712 3.410 398 HA TRP 58 HA TRP 58 -15.259 -6.525 2.093 399 HB2 TRP 58 HB2 TRP 58 -16.146 -8.523 4.065 400 HB3 TRP 58 HB3 TRP 58 -16.611 -6.874 4.445 401 HD1 TRP 58 HD1 TRP 58 -17.636 -9.746 2.369 402 HE1 TRP 58 HE1 TRP 58 -19.525 -9.048 0.746 403 HE3 TRP 58 HE3 TRP 58 -16.946 -4.712 2.447 404 HZ2 TRP 58 HZ2 TRP 58 -20.267 -6.639 -0.703 405 HZ3 TRP 58 HZ3 TRP 58 -17.925 -3.308 0.659 406 HH2 TRP 58 HH2 TRP 58 -19.562 -4.268 -0.935 407 H LYS 59 H LYS 59 -13.198 -7.389 4.768 408 HA LYS 59 HA LYS 59 -13.670 -5.123 6.364 409 HB2 LYS 59 HB2 LYS 59 -11.261 -6.938 6.186 410 HB3 LYS 59 HB3 LYS 59 -11.454 -5.673 7.400 411 HG2 LYS 59 HG2 LYS 59 -13.545 -6.700 8.175 412 HG3 LYS 59 HG3 LYS 59 -13.396 -7.959 6.951 413 HD2 LYS 59 HD2 LYS 59 -11.270 -8.697 7.979 414 HD3 LYS 59 HD3 LYS 59 -11.413 -7.428 9.192 415 HE2 LYS 59 HE2 LYS 59 -13.521 -8.412 9.986 416 HE3 LYS 59 HE3 LYS 59 -13.387 -9.687 8.770 417 HZ1 LYS 59 HZ1 LYS 59 -12.199 -9.541 11.319 418 HZ2 LYS 59 HZ2 LYS 59 -10.986 -9.605 10.134 419 HZ3 LYS 59 HZ3 LYS 59 -12.168 -10.823 10.206 420 H ARG 60 H ARG 60 -11.422 -5.666 3.709 421 HA ARG 60 HA ARG 60 -10.215 -3.016 4.162 422 HB2 ARG 60 HB2 ARG 60 -9.185 -5.380 2.575 423 HB3 ARG 60 HB3 ARG 60 -8.380 -3.817 2.709 424 HG2 ARG 60 HG2 ARG 60 -9.087 -5.561 5.076 425 HG3 ARG 60 HG3 ARG 60 -7.504 -5.549 4.302 426 HD2 ARG 60 HD2 ARG 60 -7.179 -3.209 4.877 427 HD3 ARG 60 HD3 ARG 60 -8.807 -3.127 5.563 428 HE ARG 60 HE ARG 60 -6.986 -5.111 6.681 429 HH11 ARG 60 HH11 ARG 60 -8.040 -1.793 6.930 430 HH12 ARG 60 HH12 ARG 60 -8.447 -1.917 8.602 431 HH21 ARG 60 HH21 ARG 60 -6.597 -4.870 8.888 432 HH22 ARG 60 HH22 ARG 60 -7.179 -3.475 9.730 433 H ARG 61 H ARG 61 -12.646 -4.294 2.391 434 HA ARG 61 HA ARG 61 -12.030 -2.652 0.032 435 HB2 ARG 61 HB2 ARG 61 -13.677 -5.169 0.220 436 HB3 ARG 61 HB3 ARG 61 -13.700 -4.106 -1.179 437 HG2 ARG 61 HG2 ARG 61 -11.241 -4.376 -1.425 438 HG3 ARG 61 HG3 ARG 61 -11.217 -5.431 -0.019 439 HD2 ARG 61 HD2 ARG 61 -12.658 -7.053 -1.177 440 HD3 ARG 61 HD3 ARG 61 -12.725 -5.994 -2.588 441 HE ARG 61 HE ARG 61 -10.045 -6.450 -2.059 442 HH11 ARG 61 HH11 ARG 61 -12.881 -8.352 -2.830 443 HH12 ARG 61 HH12 ARG 61 -12.008 -9.474 -3.819 444 HH21 ARG 61 HH21 ARG 61 -8.913 -8.223 -2.911 445 HH22 ARG 61 HH22 ARG 61 -9.730 -9.183 -4.105 446 H TYR 62 H TYR 62 -13.509 -1.911 2.615 447 HA TYR 62 HA TYR 62 -15.837 -0.760 1.219 448 HB2 TYR 62 HB2 TYR 62 -17.173 -1.003 3.275 449 HB3 TYR 62 HB3 TYR 62 -16.734 -2.528 2.528 450 HD1 TYR 62 HD1 TYR 62 -13.810 -1.277 4.263 451 HD2 TYR 62 HD2 TYR 62 -17.618 -3.173 4.846 452 HE1 TYR 62 HE1 TYR 62 -13.326 -1.507 6.646 453 HE2 TYR 62 HE2 TYR 62 -17.184 -3.252 7.269 454 HH TYR 62 HH TYR 62 -14.317 -2.181 8.777 455 H CYS 63 H CYS 63 -16.698 1.128 2.001 456 HA CYS 63 HA CYS 63 -14.876 3.069 2.970 457 HB2 CYS 63 HB2 CYS 63 -16.609 3.937 1.616 458 HB3 CYS 63 HB3 CYS 63 -17.849 3.042 2.498 459 H LYS 64 H LYS 64 -15.075 4.324 4.876 460 HA LYS 64 HA LYS 64 -15.276 2.882 7.270 461 HB2 LYS 64 HB2 LYS 64 -13.989 4.988 6.887 462 HB3 LYS 64 HB3 LYS 64 -15.511 5.875 6.824 463 HG2 LYS 64 HG2 LYS 64 -16.019 5.193 9.134 464 HG3 LYS 64 HG3 LYS 64 -14.509 4.274 9.194 465 HD2 LYS 64 HD2 LYS 64 -13.230 6.358 8.808 466 HD3 LYS 64 HD3 LYS 64 -14.745 7.261 8.764 467 HE2 LYS 64 HE2 LYS 64 -15.226 6.575 11.083 468 HE3 LYS 64 HE3 LYS 64 -13.722 5.655 11.127 469 HZ1 LYS 64 HZ1 LYS 64 -12.659 7.889 10.447 470 HZ2 LYS 64 HZ2 LYS 64 -13.097 7.635 12.067 471 HZ3 LYS 64 HZ3 LYS 64 -14.094 8.567 11.055 472 H LYS 65 H LYS 65 -17.565 5.186 5.752 473 HA LYS 65 HA LYS 65 -19.631 4.081 7.519 474 HB2 LYS 65 HB2 LYS 65 -19.337 6.439 7.794 475 HB3 LYS 65 HB3 LYS 65 -19.621 6.714 6.078 476 HG2 LYS 65 HG2 LYS 65 -21.883 5.744 6.310 477 HG3 LYS 65 HG3 LYS 65 -21.583 5.426 8.013 478 HD2 LYS 65 HD2 LYS 65 -21.364 7.880 8.397 479 HD3 LYS 65 HD3 LYS 65 -21.696 8.147 6.682 480 HE2 LYS 65 HE2 LYS 65 -23.875 7.026 6.924 481 HE3 LYS 65 HE3 LYS 65 -23.544 6.744 8.636 482 HZ1 LYS 65 HZ1 LYS 65 -24.134 9.260 7.242 483 HZ2 LYS 65 HZ2 LYS 65 -23.203 9.288 8.664 484 HZ3 LYS 65 HZ3 LYS 65 -24.782 8.655 8.691 485 H CYS 66 H CYS 66 -18.888 3.775 4.113 486 HA CYS 66 HA CYS 66 -21.736 3.819 3.375 487 HB2 CYS 66 HB2 CYS 66 -19.505 2.604 1.745 488 HB3 CYS 66 HB3 CYS 66 -21.161 2.889 1.273 489 H HIS 67 H HIS 67 -19.138 1.832 4.492 490 HA HIS 67 HA HIS 67 -18.843 -0.386 4.860 491 HB2 HIS 67 HB2 HIS 67 -21.870 -0.372 4.777 492 HB3 HIS 67 HB3 HIS 67 -20.915 -1.802 5.167 493 HD1 HIS 67 HD1 HIS 67 -21.372 1.779 6.360 494 HD2 HIS 67 HD2 HIS 67 -19.740 -1.816 7.712 495 HE1 HIS 67 HE1 HIS 67 -20.853 2.107 8.808 496 HE2 HIS 67 HE2 HIS 67 -19.692 0.001 9.614 497 H ALA 68 H ALA 68 -19.490 0.990 2.182 498 HA ALA 68 HA ALA 68 -20.452 -1.215 0.506 499 HB1 ALA 68 HB1 ALA 68 -21.526 1.132 0.497 500 HB2 ALA 68 HB2 ALA 68 -21.091 0.454 -1.065 501 HB3 ALA 68 HB3 ALA 68 -20.051 1.662 -0.311 502 H PHE 69 H PHE 69 -19.357 -1.394 -1.639 503 HA PHE 69 HA PHE 69 -16.707 -2.138 -1.068 504 HB2 PHE 69 HB2 PHE 69 -18.438 -2.901 -2.909 505 HB3 PHE 69 HB3 PHE 69 -17.651 -1.667 -3.890 506 HD1 PHE 69 HD1 PHE 69 -14.914 -1.757 -3.525 507 HD2 PHE 69 HD2 PHE 69 -17.754 -4.948 -3.700 508 HE1 PHE 69 HE1 PHE 69 -13.125 -3.269 -4.304 509 HE2 PHE 69 HE2 PHE 69 -16.113 -6.242 -5.040 510 HZ PHE 69 HZ PHE 69 -13.764 -5.495 -5.190 511 H LEU 70 H LEU 70 -14.844 -0.891 -1.184 512 HA LEU 70 HA LEU 70 -15.255 1.879 -1.917 513 HB2 LEU 70 HB2 LEU 70 -14.087 0.974 0.225 514 HB3 LEU 70 HB3 LEU 70 -12.703 0.686 -0.809 515 HG LEU 70 HG LEU 70 -12.427 2.814 0.270 516 HD11 LEU 70 HD11 LEU 70 -12.001 4.205 -1.606 517 HD12 LEU 70 HD12 LEU 70 -13.318 3.500 -2.532 518 HD13 LEU 70 HD13 LEU 70 -11.861 2.563 -2.217 519 HD21 LEU 70 HD21 LEU 70 -14.251 3.958 0.892 520 HD22 LEU 70 HD22 LEU 70 -15.264 3.059 -0.228 521 HD23 LEU 70 HD23 LEU 70 -14.414 4.499 -0.769 522 H VAL 71 H VAL 71 -15.194 2.159 -3.994 523 HA VAL 71 HA VAL 71 -12.716 1.564 -5.477 524 HB VAL 71 HB VAL 71 -15.418 1.468 -6.801 525 HG11 VAL 71 HG11 VAL 71 -14.210 0.192 -8.475 526 HG12 VAL 71 HG12 VAL 71 -12.775 0.122 -7.451 527 HG13 VAL 71 HG13 VAL 71 -13.299 1.662 -8.134 528 HG21 VAL 71 HG21 VAL 71 -15.504 -0.215 -5.000 529 HG22 VAL 71 HG22 VAL 71 -13.969 -0.887 -5.560 530 HG23 VAL 71 HG23 VAL 71 -15.402 -0.984 -6.582 531 HA PRO 72 HA PRO 72 -13.314 6.025 -6.043 532 HB2 PRO 72 HB2 PRO 72 -11.075 5.765 -7.965 533 HB3 PRO 72 HB3 PRO 72 -11.243 6.821 -6.554 534 HG2 PRO 72 HG2 PRO 72 -9.618 4.682 -6.572 535 HG3 PRO 72 HG3 PRO 72 -10.438 5.245 -5.109 536 HD2 PRO 72 HD2 PRO 72 -11.074 2.897 -6.854 537 HD3 PRO 72 HD3 PRO 72 -11.262 3.084 -5.093 538 H GLY 73 H GLY 73 -14.406 7.204 -7.478 539 HA2 GLY 73 HA2 GLY 73 -15.287 7.921 -9.522 540 HA3 GLY 73 HA3 GLY 73 -14.596 6.504 -10.293 541 H ILE 74 H ILE 74 -16.255 5.443 -7.493 542 HA ILE 74 HA ILE 74 -18.258 4.466 -9.439 543 HB ILE 74 HB ILE 74 -17.070 2.852 -7.175 544 HG12 ILE 74 HG12 ILE 74 -15.313 3.335 -8.842 545 HG13 ILE 74 HG13 ILE 74 -15.799 1.651 -8.909 546 HG21 ILE 74 HG21 ILE 74 -18.794 2.174 -9.583 547 HG22 ILE 74 HG22 ILE 74 -19.297 2.148 -7.895 548 HG23 ILE 74 HG23 ILE 74 -18.108 0.979 -8.484 549 HD11 ILE 74 HD11 ILE 74 -17.494 3.055 -10.722 550 HD12 ILE 74 HD12 ILE 74 -16.242 1.868 -11.085 551 HD13 ILE 74 HD13 ILE 74 -15.836 3.584 -11.011 552 H ASN 75 H ASN 75 -17.936 3.929 -5.925 553 HA ASN 75 HA ASN 75 -20.485 5.368 -5.507 554 HB2 ASN 75 HB2 ASN 75 -20.674 4.234 -3.403 555 HB3 ASN 75 HB3 ASN 75 -20.263 3.019 -4.606 556 HD21 ASN 75 HD21 ASN 75 -17.324 4.136 -4.562 557 HD22 ASN 75 HD22 ASN 75 -16.724 3.179 -3.304 558 H ALA 76 H ALA 76 -17.359 5.989 -5.743 559 HA ALA 76 HA ALA 76 -17.283 8.090 -3.796 560 HB1 ALA 76 HB1 ALA 76 -15.476 7.252 -2.415 561 HB2 ALA 76 HB2 ALA 76 -15.280 5.841 -3.458 562 HB3 ALA 76 HB3 ALA 76 -16.716 6.000 -2.449 563 H ARG 77 H ARG 77 -15.452 9.466 -4.161 564 HA ARG 77 HA ARG 77 -14.026 8.837 -6.670 565 HB2 ARG 77 HB2 ARG 77 -15.870 10.413 -7.115 566 HB3 ARG 77 HB3 ARG 77 -15.185 11.534 -5.938 567 HG2 ARG 77 HG2 ARG 77 -13.087 11.626 -7.240 568 HG3 ARG 77 HG3 ARG 77 -13.759 10.485 -8.407 569 HD2 ARG 77 HD2 ARG 77 -15.589 12.108 -8.864 570 HD3 ARG 77 HD3 ARG 77 -14.797 13.269 -7.792 571 HE ARG 77 HE ARG 77 -13.086 13.538 -9.368 572 HH11 ARG 77 HH11 ARG 77 -15.088 10.822 -10.268 573 HH12 ARG 77 HH12 ARG 77 -15.018 11.192 -11.962 574 HH21 ARG 77 HH21 ARG 77 -12.370 13.437 -11.526 575 HH22 ARG 77 HH22 ARG 77 -12.879 12.090 -12.489 576 H VAL 78 H VAL 78 -11.967 9.573 -6.876 577 HA VAL 78 HA VAL 78 -10.722 10.615 -4.414 578 HB VAL 78 HB VAL 78 -10.336 8.140 -4.776 579 HG11 VAL 78 HG11 VAL 78 -8.449 9.004 -6.974 580 HG12 VAL 78 HG12 VAL 78 -10.101 8.506 -7.332 581 HG13 VAL 78 HG13 VAL 78 -8.985 7.378 -6.566 582 HG21 VAL 78 HG21 VAL 78 -7.646 9.347 -5.027 583 HG22 VAL 78 HG22 VAL 78 -8.314 8.326 -3.760 584 HG23 VAL 78 HG23 VAL 78 -8.676 10.050 -3.783 585 H ARG 79 H ARG 79 -9.447 12.293 -4.688 586 HA ARG 79 HA ARG 79 -8.555 13.036 -7.420 587 HB2 ARG 79 HB2 ARG 79 -9.967 14.761 -6.264 588 HB3 ARG 79 HB3 ARG 79 -8.765 14.816 -4.976 589 HG2 ARG 79 HG2 ARG 79 -7.046 15.479 -6.631 590 HG3 ARG 79 HG3 ARG 79 -8.288 15.508 -7.886 591 HD2 ARG 79 HD2 ARG 79 -8.355 17.156 -5.334 592 HD3 ARG 79 HD3 ARG 79 -7.825 17.758 -6.902 593 HE ARG 79 HE ARG 79 -10.540 17.268 -6.044 594 HH11 ARG 79 HH11 ARG 79 -8.383 17.559 -8.787 595 HH12 ARG 79 HH12 ARG 79 -9.662 17.983 -9.882 596 HH21 ARG 79 HH21 ARG 79 -12.128 18.041 -7.453 597 HH22 ARG 79 HH22 ARG 79 -11.704 18.493 -9.070 598 H LEU 80 H LEU 80 -6.403 12.929 -7.761 599 HA LEU 80 HA LEU 80 -4.659 12.377 -5.437 600 HB2 LEU 80 HB2 LEU 80 -4.098 12.016 -8.391 601 HB3 LEU 80 HB3 LEU 80 -3.150 11.380 -7.049 602 HG LEU 80 HG LEU 80 -5.414 10.212 -6.381 603 HD11 LEU 80 HD11 LEU 80 -7.112 10.545 -7.801 604 HD12 LEU 80 HD12 LEU 80 -6.211 9.677 -9.041 605 HD13 LEU 80 HD13 LEU 80 -6.080 11.430 -8.925 606 HD21 LEU 80 HD21 LEU 80 -3.600 9.370 -8.649 607 HD22 LEU 80 HD22 LEU 80 -4.837 8.304 -7.976 608 HD23 LEU 80 HD23 LEU 80 -3.521 8.882 -6.953 609 H ARG 81 H ARG 81 -3.391 13.978 -4.756 610 HA ARG 81 HA ARG 81 -3.036 16.331 -6.495 611 HB2 ARG 81 HB2 ARG 81 -2.984 16.064 -3.491 612 HB3 ARG 81 HB3 ARG 81 -2.503 17.529 -4.328 613 HG2 ARG 81 HG2 ARG 81 -4.734 17.657 -5.408 614 HG3 ARG 81 HG3 ARG 81 -5.222 16.181 -4.591 615 HD2 ARG 81 HD2 ARG 81 -4.888 17.278 -2.395 616 HD3 ARG 81 HD3 ARG 81 -4.384 18.757 -3.217 617 HE ARG 81 HE ARG 81 -6.858 18.168 -4.257 618 HH11 ARG 81 HH11 ARG 81 -5.381 19.159 -1.265 619 HH12 ARG 81 HH12 ARG 81 -6.886 19.572 -0.511 620 HH21 ARG 81 HH21 ARG 81 -8.774 19.079 -3.378 621 HH22 ARG 81 HH22 ARG 81 -8.605 20.079 -1.970 622 H GLN 82 H GLN 82 -1.073 17.122 -6.988 623 HA GLN 82 HA GLN 82 1.202 15.372 -6.306 624 HB2 GLN 82 HB2 GLN 82 0.456 15.210 -8.654 625 HB3 GLN 82 HB3 GLN 82 0.690 16.944 -8.844 626 HG2 GLN 82 HG2 GLN 82 3.085 16.721 -8.408 627 HG3 GLN 82 HG3 GLN 82 2.900 15.024 -8.009 628 HE21 GLN 82 HE21 GLN 82 4.663 15.754 -10.062 629 HE22 GLN 82 HE22 GLN 82 4.052 15.187 -11.542 630 H LYS 83 H LYS 83 1.041 16.954 -4.484 631 HA LYS 83 HA LYS 83 2.916 19.190 -4.830 632 HB2 LYS 83 HB2 LYS 83 1.506 18.004 -2.402 633 HB3 LYS 83 HB3 LYS 83 2.566 19.404 -2.360 634 HG2 LYS 83 HG2 LYS 83 1.058 20.607 -3.908 635 HG3 LYS 83 HG3 LYS 83 0.005 19.203 -3.983 636 HD2 LYS 83 HD2 LYS 83 -0.421 19.376 -1.553 637 HD3 LYS 83 HD3 LYS 83 0.627 20.791 -1.470 638 HE2 LYS 83 HE2 LYS 83 -0.853 21.998 -3.027 639 HE3 LYS 83 HE3 LYS 83 -1.892 20.582 -3.149 640 HZ1 LYS 83 HZ1 LYS 83 -1.719 22.550 -1.057 641 HZ2 LYS 83 HZ2 LYS 83 -1.706 20.956 -0.484 642 HZ3 LYS 83 HZ3 LYS 83 -2.983 21.494 -1.454 643 H ARG 84 H ARG 84 4.936 18.984 -3.269 644 HA ARG 84 HA ARG 84 5.932 16.172 -3.456 645 HB2 ARG 84 HB2 ARG 84 7.432 18.185 -4.019 646 HB3 ARG 84 HB3 ARG 84 7.268 18.693 -2.352 647 HG2 ARG 84 HG2 ARG 84 8.261 16.492 -1.631 648 HG3 ARG 84 HG3 ARG 84 8.546 16.123 -3.327 649 HD2 ARG 84 HD2 ARG 84 9.563 18.617 -1.932 650 HD3 ARG 84 HD3 ARG 84 10.520 17.161 -2.196 651 HE ARG 84 HE ARG 84 9.488 18.043 -4.661 652 HH11 ARG 84 HH11 ARG 84 11.679 19.046 -2.150 653 HH12 ARG 84 HH12 ARG 84 12.485 20.211 -3.155 654 HH21 ARG 84 HH21 ARG 84 10.600 19.555 -5.957 655 HH22 ARG 84 HH22 ARG 84 12.064 20.282 -5.385 656 H MET 85 H MET 85 3.556 16.825 -1.859 657 HA MET 85 HA MET 85 4.733 14.609 -0.323 658 HB2 MET 85 HB2 MET 85 2.764 16.720 0.569 659 HB3 MET 85 HB3 MET 85 2.574 15.076 1.167 660 HG2 MET 85 HG2 MET 85 5.313 15.728 1.489 661 HG3 MET 85 HG3 MET 85 4.386 17.122 2.049 662 HE1 MET 85 HE1 MET 85 2.661 17.164 3.757 663 HE2 MET 85 HE2 MET 85 4.189 17.167 4.641 664 HE3 MET 85 HE3 MET 85 2.834 16.198 5.221 665 HA PRO 86 HA PRO 86 1.452 13.052 -3.172 666 HB2 PRO 86 HB2 PRO 86 1.689 10.485 -1.697 667 HB3 PRO 86 HB3 PRO 86 1.808 10.794 -3.435 668 HG2 PRO 86 HG2 PRO 86 3.942 10.204 -1.906 669 HG3 PRO 86 HG3 PRO 86 4.037 11.237 -3.337 670 HD2 PRO 86 HD2 PRO 86 4.153 12.004 -0.456 671 HD3 PRO 86 HD3 PRO 86 4.888 12.796 -1.871 672 H HIS 87 H HIS 87 -0.720 13.223 -2.802 673 HA HIS 87 HA HIS 87 -1.868 12.250 -0.283 674 HB2 HIS 87 HB2 HIS 87 -2.195 15.069 -1.371 675 HB3 HIS 87 HB3 HIS 87 -3.174 14.387 -0.082 676 HD1 HIS 87 HD1 HIS 87 -0.800 16.780 -0.111 677 HD2 HIS 87 HD2 HIS 87 -0.676 13.014 1.685 678 HE1 HIS 87 HE1 HIS 87 0.370 17.063 2.141 679 HE2 HIS 87 HE2 HIS 87 0.892 14.678 2.901 680 H ILE 88 H ILE 88 -3.925 11.437 -0.542 681 HA ILE 88 HA ILE 88 -5.369 12.187 -3.007 682 HB ILE 88 HB ILE 88 -6.338 9.962 -3.175 683 HG12 ILE 88 HG12 ILE 88 -4.390 9.115 -1.007 684 HG13 ILE 88 HG13 ILE 88 -6.113 9.383 -0.724 685 HG21 ILE 88 HG21 ILE 88 -3.320 9.790 -3.021 686 HG22 ILE 88 HG22 ILE 88 -4.201 10.552 -4.347 687 HG23 ILE 88 HG23 ILE 88 -4.382 8.825 -4.048 688 HD11 ILE 88 HD11 ILE 88 -4.866 7.340 -2.581 689 HD12 ILE 88 HD12 ILE 88 -6.589 7.709 -2.543 690 HD13 ILE 88 HD13 ILE 88 -5.804 7.026 -1.121 691 H VAL 89 H VAL 89 -7.517 12.611 -2.780 692 HA VAL 89 HA VAL 89 -8.648 12.358 -0.051 693 HB VAL 89 HB VAL 89 -10.093 14.327 -0.714 694 HG11 VAL 89 HG11 VAL 89 -8.023 15.949 -0.511 695 HG12 VAL 89 HG12 VAL 89 -7.130 14.458 -0.229 696 HG13 VAL 89 HG13 VAL 89 -8.465 14.901 0.835 697 HG21 VAL 89 HG21 VAL 89 -7.960 15.006 -2.714 698 HG22 VAL 89 HG22 VAL 89 -9.602 15.635 -2.575 699 HG23 VAL 89 HG23 VAL 89 -9.327 14.018 -3.214 700 H VAL 90 H VAL 90 -10.543 11.377 0.181 701 HA VAL 90 HA VAL 90 -11.806 10.306 -2.279 702 HB VAL 90 HB VAL 90 -11.150 8.921 0.325 703 HG11 VAL 90 HG11 VAL 90 -12.280 6.936 -0.948 704 HG12 VAL 90 HG12 VAL 90 -13.114 8.220 -1.827 705 HG13 VAL 90 HG13 VAL 90 -13.290 8.085 -0.076 706 HG21 VAL 90 HG21 VAL 90 -10.260 7.247 -1.520 707 HG22 VAL 90 HG22 VAL 90 -9.299 8.654 -1.060 708 HG23 VAL 90 HG23 VAL 90 -10.259 8.684 -2.539 709 H LYS 91 H LYS 91 -13.921 10.605 -2.393 710 HA LYS 91 HA LYS 91 -15.437 11.168 0.070 711 HB2 LYS 91 HB2 LYS 91 -17.018 12.448 -1.603 712 HB3 LYS 91 HB3 LYS 91 -15.703 13.274 -0.795 713 HG2 LYS 91 HG2 LYS 91 -15.500 12.128 -3.586 714 HG3 LYS 91 HG3 LYS 91 -15.940 13.794 -3.242 715 HD2 LYS 91 HD2 LYS 91 -13.773 14.124 -2.109 716 HD3 LYS 91 HD3 LYS 91 -13.300 12.470 -2.482 717 HE2 LYS 91 HE2 LYS 91 -13.509 12.918 -4.880 718 HE3 LYS 91 HE3 LYS 91 -13.971 14.582 -4.530 719 HZ1 LYS 91 HZ1 LYS 91 -11.867 15.000 -3.564 720 HZ2 LYS 91 HZ2 LYS 91 -11.552 14.199 -5.031 721 HZ3 LYS 91 HZ3 LYS 91 -11.445 13.358 -3.562 722 H CYS 92 H CYS 92 -17.377 10.094 0.227 723 HA CYS 92 HA CYS 92 -17.987 8.267 -2.012 724 HB2 CYS 92 HB2 CYS 92 -19.157 6.901 -0.167 725 HB3 CYS 92 HB3 CYS 92 -17.407 6.809 -0.296 726 H LEU 93 H LEU 93 -19.970 8.240 -2.798 727 HA LEU 93 HA LEU 93 -21.664 10.446 -2.352 728 HB2 LEU 93 HB2 LEU 93 -22.014 7.875 -3.898 729 HB3 LEU 93 HB3 LEU 93 -23.230 9.163 -3.872 730 HG LEU 93 HG LEU 93 -20.330 9.653 -4.595 731 HD11 LEU 93 HD11 LEU 93 -21.339 8.090 -6.243 732 HD12 LEU 93 HD12 LEU 93 -20.995 9.675 -6.936 733 HD13 LEU 93 HD13 LEU 93 -22.650 9.247 -6.503 734 HD21 LEU 93 HD21 LEU 93 -21.185 11.739 -4.154 735 HD22 LEU 93 HD22 LEU 93 -22.845 11.254 -4.511 736 HD23 LEU 93 HD23 LEU 93 -21.723 11.588 -5.827 737 H GLU 94 H GLU 94 -21.900 7.043 -1.327 738 HA GLU 94 HA GLU 94 -24.506 7.185 -0.357 739 HB2 GLU 94 HB2 GLU 94 -22.216 5.390 0.481 740 HB3 GLU 94 HB3 GLU 94 -23.896 5.146 0.966 741 HG2 GLU 94 HG2 GLU 94 -22.890 5.251 -1.894 742 HG3 GLU 94 HG3 GLU 94 -23.326 3.784 -1.023 743 H CYS 95 H CYS 95 -21.455 7.657 1.443 744 HA CYS 95 HA CYS 95 -22.896 8.471 3.833 745 HB2 CYS 95 HB2 CYS 95 -19.956 8.797 3.208 746 HB3 CYS 95 HB3 CYS 95 -20.738 8.976 4.779 747 H GLY 96 H GLY 96 -21.460 9.979 1.023 748 HA2 GLY 96 HA2 GLY 96 -21.672 12.140 0.241 749 HA3 GLY 96 HA3 GLY 96 -22.611 12.536 1.677 750 H HIS 97 H HIS 97 -19.524 11.004 2.135 751 HA HIS 97 HA HIS 97 -18.559 13.535 3.308 752 HB2 HIS 97 HB2 HIS 97 -18.499 10.776 4.529 753 HB3 HIS 97 HB3 HIS 97 -17.616 12.161 5.173 754 HD1 HIS 97 HD1 HIS 97 -19.268 14.410 5.420 755 HD2 HIS 97 HD2 HIS 97 -20.842 10.578 5.972 756 HE1 HIS 97 HE1 HIS 97 -21.513 14.695 6.606 757 HE2 HIS 97 HE2 HIS 97 -22.579 12.395 6.719 758 H ILE 98 H ILE 98 -16.424 13.903 3.497 759 HA ILE 98 HA ILE 98 -14.753 12.524 1.512 760 HB ILE 98 HB ILE 98 -15.069 14.902 1.138 761 HG12 ILE 98 HG12 ILE 98 -12.720 15.669 1.126 762 HG13 ILE 98 HG13 ILE 98 -12.279 14.327 2.172 763 HG21 ILE 98 HG21 ILE 98 -15.536 15.502 3.507 764 HG22 ILE 98 HG22 ILE 98 -14.380 16.587 2.735 765 HG23 ILE 98 HG23 ILE 98 -13.813 15.346 3.854 766 HD11 ILE 98 HD11 ILE 98 -13.727 13.325 -0.112 767 HD12 ILE 98 HD12 ILE 98 -12.079 12.971 0.401 768 HD13 ILE 98 HD13 ILE 98 -12.396 14.351 -0.645 769 H MET 99 H MET 99 -13.189 11.270 2.138 770 HA MET 99 HA MET 99 -11.918 11.640 4.784 771 HB2 MET 99 HB2 MET 99 -13.161 9.501 4.565 772 HB3 MET 99 HB3 MET 99 -12.186 9.111 3.148 773 HG2 MET 99 HG2 MET 99 -10.151 9.153 4.493 774 HG3 MET 99 HG3 MET 99 -11.065 9.655 5.914 775 HE1 MET 99 HE1 MET 99 -11.962 7.028 3.063 776 HE2 MET 99 HE2 MET 99 -11.282 5.570 3.786 777 HE3 MET 99 HE3 MET 99 -10.228 6.919 3.363 778 H ARG 100 H ARG 100 -9.850 12.286 4.663 779 HA ARG 100 HA ARG 100 -8.447 12.223 2.101 780 HB2 ARG 100 HB2 ARG 100 -8.537 14.324 3.380 781 HB3 ARG 100 HB3 ARG 100 -7.691 13.551 4.719 782 HG2 ARG 100 HG2 ARG 100 -5.761 13.118 3.213 783 HG3 ARG 100 HG3 ARG 100 -6.624 13.944 1.910 784 HD2 ARG 100 HD2 ARG 100 -6.764 15.974 3.342 785 HD3 ARG 100 HD3 ARG 100 -5.759 15.158 4.543 786 HE ARG 100 HE ARG 100 -4.601 15.235 1.887 787 HH11 ARG 100 HH11 ARG 100 -5.302 17.309 4.557 788 HH12 ARG 100 HH12 ARG 100 -3.757 18.106 4.520 789 HH21 ARG 100 HH21 ARG 100 -2.488 16.238 1.928 790 HH22 ARG 100 HH22 ARG 100 -2.665 17.898 2.416 791 H TYR 101 H TYR 101 -6.755 10.923 1.687 792 HA TYR 101 HA TYR 101 -5.615 9.332 3.909 793 HB2 TYR 101 HB2 TYR 101 -6.911 8.389 1.594 794 HB3 TYR 101 HB3 TYR 101 -5.190 8.139 1.305 795 HD1 TYR 101 HD1 TYR 101 -3.816 7.054 3.286 796 HD2 TYR 101 HD2 TYR 101 -8.031 6.629 2.635 797 HE1 TYR 101 HE1 TYR 101 -3.982 5.494 5.234 798 HE2 TYR 101 HE2 TYR 101 -7.976 4.536 3.966 799 HH TYR 101 HH TYR 101 -5.998 4.179 6.475 800 HA PRO 102 HA PRO 102 -2.000 11.734 2.388 801 HB2 PRO 102 HB2 PRO 102 -0.899 10.760 4.972 802 HB3 PRO 102 HB3 PRO 102 -0.971 12.410 4.325 803 HG2 PRO 102 HG2 PRO 102 -2.528 11.604 6.346 804 HG3 PRO 102 HG3 PRO 102 -3.079 12.778 5.136 805 HD2 PRO 102 HD2 PRO 102 -3.735 9.851 5.361 806 HD3 PRO 102 HD3 PRO 102 -4.791 11.210 4.899 807 H TYR 103 H TYR 103 -0.240 10.878 1.314 808 HA TYR 103 HA TYR 103 0.681 8.186 2.089 809 HB2 TYR 103 HB2 TYR 103 -0.760 7.942 0.130 810 HB3 TYR 103 HB3 TYR 103 0.163 9.168 -0.729 811 HD1 TYR 103 HD1 TYR 103 0.705 5.932 1.142 812 HD2 TYR 103 HD2 TYR 103 1.889 8.449 -2.124 813 HE1 TYR 103 HE1 TYR 103 2.468 4.312 0.514 814 HE2 TYR 103 HE2 TYR 103 3.155 6.557 -3.053 815 HH TYR 103 HH TYR 103 4.087 3.813 -0.930 816 H ILE 104 H ILE 104 2.761 8.158 2.539 817 HA ILE 104 HA ILE 104 4.537 10.085 1.173 818 HB ILE 104 HB ILE 104 4.643 9.279 4.084 819 HG12 ILE 104 HG12 ILE 104 4.350 12.017 2.813 820 HG13 ILE 104 HG13 ILE 104 2.984 11.042 3.359 821 HG21 ILE 104 HG21 ILE 104 6.862 9.653 3.942 822 HG22 ILE 104 HG22 ILE 104 6.501 11.336 3.573 823 HG23 ILE 104 HG23 ILE 104 6.742 10.183 2.267 824 HD11 ILE 104 HD11 ILE 104 3.857 11.026 5.633 825 HD12 ILE 104 HD12 ILE 104 3.679 12.692 5.074 826 HD13 ILE 104 HD13 ILE 104 5.278 11.947 5.122 827 H LYS 105 H LYS 105 6.241 9.228 0.212 828 HA LYS 105 HA LYS 105 6.672 6.349 0.287 829 HB2 LYS 105 HB2 LYS 105 7.970 8.587 -1.296 830 HB3 LYS 105 HB3 LYS 105 8.428 6.897 -1.435 831 HG2 LYS 105 HG2 LYS 105 6.123 6.315 -2.105 832 HG3 LYS 105 HG3 LYS 105 5.645 8.002 -1.949 833 HD2 LYS 105 HD2 LYS 105 7.304 8.627 -3.678 834 HD3 LYS 105 HD3 LYS 105 7.775 6.933 -3.836 835 HE2 LYS 105 HE2 LYS 105 5.481 6.362 -4.548 836 HE3 LYS 105 HE3 LYS 105 5.023 8.066 -4.391 837 HZ1 LYS 105 HZ1 LYS 105 6.680 6.766 -6.409 838 HZ2 LYS 105 HZ2 LYS 105 7.106 8.343 -5.936 839 HZ3 LYS 105 HZ3 LYS 105 5.562 8.037 -6.575 Start of MODEL 19 1 H LYS 15 H LYS 15 -19.387 -18.860 2.968 2 HA LYS 15 HA LYS 15 -16.964 -17.616 2.581 3 HB2 LYS 15 HB2 LYS 15 -16.918 -20.565 1.827 4 HB3 LYS 15 HB3 LYS 15 -15.724 -19.362 1.353 5 HG2 LYS 15 HG2 LYS 15 -16.321 -20.150 4.216 6 HG3 LYS 15 HG3 LYS 15 -14.968 -20.743 3.260 7 HD2 LYS 15 HD2 LYS 15 -14.125 -18.448 2.992 8 HD3 LYS 15 HD3 LYS 15 -15.472 -17.832 3.948 9 HE2 LYS 15 HE2 LYS 15 -14.720 -19.177 5.885 10 HE3 LYS 15 HE3 LYS 15 -13.378 -19.801 4.926 11 HZ1 LYS 15 HZ1 LYS 15 -13.785 -17.138 6.049 12 HZ2 LYS 15 HZ2 LYS 15 -12.919 -17.264 4.590 13 HZ3 LYS 15 HZ3 LYS 15 -12.384 -18.096 5.973 14 H GLU 16 H GLU 16 -18.907 -20.210 1.081 15 HA GLU 16 HA GLU 16 -19.172 -18.957 -1.430 16 HB2 GLU 16 HB2 GLU 16 -20.891 -21.033 -0.058 17 HB3 GLU 16 HB3 GLU 16 -21.026 -20.602 -1.759 18 HG2 GLU 16 HG2 GLU 16 -18.541 -21.696 -0.446 19 HG3 GLU 16 HG3 GLU 16 -19.663 -22.627 -1.423 20 H ARG 17 H ARG 17 -21.235 -18.851 1.518 21 HA ARG 17 HA ARG 17 -23.464 -17.617 0.424 22 HB2 ARG 17 HB2 ARG 17 -22.179 -17.280 3.148 23 HB3 ARG 17 HB3 ARG 17 -23.757 -16.619 2.747 24 HG2 ARG 17 HG2 ARG 17 -24.597 -18.870 2.271 25 HG3 ARG 17 HG3 ARG 17 -23.010 -19.558 2.623 26 HD2 ARG 17 HD2 ARG 17 -23.115 -18.622 4.911 27 HD3 ARG 17 HD3 ARG 17 -24.701 -17.945 4.572 28 HE ARG 17 HE ARG 17 -25.623 -20.011 4.898 29 HH11 ARG 17 HH11 ARG 17 -22.220 -20.556 4.306 30 HH12 ARG 17 HH12 ARG 17 -22.123 -21.796 5.516 31 HH21 ARG 17 HH21 ARG 17 -25.499 -22.077 5.927 32 HH22 ARG 17 HH22 ARG 17 -24.133 -23.043 5.473 33 H ILE 18 H ILE 18 -20.590 -16.119 1.870 34 HA ILE 18 HA ILE 18 -21.516 -13.435 1.552 35 HB ILE 18 HB ILE 18 -19.721 -14.349 3.219 36 HG12 ILE 18 HG12 ILE 18 -18.649 -12.058 3.217 37 HG13 ILE 18 HG13 ILE 18 -19.606 -11.704 1.773 38 HG21 ILE 18 HG21 ILE 18 -17.422 -14.001 2.522 39 HG22 ILE 18 HG22 ILE 18 -17.932 -13.559 0.900 40 HG23 ILE 18 HG23 ILE 18 -18.163 -15.205 1.482 41 HD11 ILE 18 HD11 ILE 18 -20.794 -10.911 3.746 42 HD12 ILE 18 HD12 ILE 18 -20.673 -12.502 4.493 43 HD13 ILE 18 HD13 ILE 18 -21.663 -12.275 3.055 44 H ASP 19 H ASP 19 -19.623 -15.674 -0.358 45 HA ASP 19 HA ASP 19 -18.320 -13.851 -2.107 46 HB2 ASP 19 HB2 ASP 19 -19.103 -16.792 -2.113 47 HB3 ASP 19 HB3 ASP 19 -18.391 -16.053 -3.546 48 H ILE 20 H ILE 20 -21.441 -15.597 -2.289 49 HA ILE 20 HA ILE 20 -22.207 -14.752 -4.848 50 HB ILE 20 HB ILE 20 -23.843 -15.457 -2.399 51 HG12 ILE 20 HG12 ILE 20 -23.349 -17.016 -4.943 52 HG13 ILE 20 HG13 ILE 20 -22.305 -17.198 -3.543 53 HG21 ILE 20 HG21 ILE 20 -24.607 -14.799 -5.243 54 HG22 ILE 20 HG22 ILE 20 -25.323 -14.200 -3.749 55 HG23 ILE 20 HG23 ILE 20 -25.607 -15.863 -4.260 56 HD11 ILE 20 HD11 ILE 20 -23.881 -18.901 -3.164 57 HD12 ILE 20 HD12 ILE 20 -25.164 -18.007 -3.968 58 HD13 ILE 20 HD13 ILE 20 -24.685 -17.569 -2.333 59 H LEU 21 H LEU 21 -22.756 -13.342 -1.649 60 HA LEU 21 HA LEU 21 -24.279 -11.117 -2.506 61 HB2 LEU 21 HB2 LEU 21 -22.797 -11.729 0.020 62 HB3 LEU 21 HB3 LEU 21 -23.367 -10.088 -0.281 63 HG LEU 21 HG LEU 21 -25.648 -11.093 -0.767 64 HD11 LEU 21 HD11 LEU 21 -24.615 -13.569 0.635 65 HD12 LEU 21 HD12 LEU 21 -24.649 -13.456 -1.123 66 HD13 LEU 21 HD13 LEU 21 -26.147 -13.359 -0.208 67 HD21 LEU 21 HD21 LEU 21 -25.236 -10.052 1.386 68 HD22 LEU 21 HD22 LEU 21 -24.474 -11.525 1.993 69 HD23 LEU 21 HD23 LEU 21 -26.197 -11.511 1.619 70 H PHE 22 H PHE 22 -20.789 -11.587 -2.064 71 HA PHE 22 HA PHE 22 -19.951 -8.971 -2.490 72 HB2 PHE 22 HB2 PHE 22 -18.500 -10.777 -1.685 73 HB3 PHE 22 HB3 PHE 22 -18.596 -11.577 -3.249 74 HD1 PHE 22 HD1 PHE 22 -17.314 -8.624 -1.446 75 HD2 PHE 22 HD2 PHE 22 -17.135 -10.983 -4.993 76 HE1 PHE 22 HE1 PHE 22 -15.436 -7.196 -2.297 77 HE2 PHE 22 HE2 PHE 22 -15.309 -9.523 -5.872 78 HZ PHE 22 HZ PHE 22 -14.278 -7.846 -4.385 79 H SER 23 H SER 23 -20.650 -11.515 -4.901 80 HA SER 23 HA SER 23 -19.619 -10.019 -7.111 81 HB2 SER 23 HB2 SER 23 -20.906 -11.619 -8.526 82 HB3 SER 23 HB3 SER 23 -19.894 -12.434 -7.338 83 HG SER 23 HG SER 23 -22.062 -12.177 -6.074 84 H LEU 24 H LEU 24 -22.757 -10.369 -5.595 85 HA LEU 24 HA LEU 24 -24.289 -8.884 -7.421 86 HB2 LEU 24 HB2 LEU 24 -24.653 -9.441 -4.471 87 HB3 LEU 24 HB3 LEU 24 -25.865 -8.628 -5.461 88 HG LEU 24 HG LEU 24 -24.719 -11.331 -6.177 89 HD11 LEU 24 HD11 LEU 24 -26.113 -12.312 -4.692 90 HD12 LEU 24 HD12 LEU 24 -27.478 -11.395 -5.318 91 HD13 LEU 24 HD13 LEU 24 -26.482 -10.721 -4.035 92 HD21 LEU 24 HD21 LEU 24 -25.719 -10.674 -8.142 93 HD22 LEU 24 HD22 LEU 24 -26.735 -9.478 -7.344 94 HD23 LEU 24 HD23 LEU 24 -27.184 -11.177 -7.311 95 H ALA 25 H ALA 25 -22.584 -7.961 -4.459 96 HA ALA 25 HA ALA 25 -23.264 -5.237 -4.455 97 HB1 ALA 25 HB1 ALA 25 -22.295 -6.015 -2.493 98 HB2 ALA 25 HB2 ALA 25 -21.007 -5.047 -3.209 99 HB3 ALA 25 HB3 ALA 25 -20.964 -6.807 -3.334 100 H GLU 26 H GLU 26 -20.556 -6.949 -6.070 101 HA GLU 26 HA GLU 26 -19.294 -4.625 -7.023 102 HB2 GLU 26 HB2 GLU 26 -18.285 -6.884 -6.976 103 HB3 GLU 26 HB3 GLU 26 -19.377 -7.399 -8.252 104 HG2 GLU 26 HG2 GLU 26 -18.430 -5.705 -9.775 105 HG3 GLU 26 HG3 GLU 26 -17.388 -5.120 -8.492 106 H ARG 27 H ARG 27 -21.800 -6.675 -8.572 107 HA ARG 27 HA ARG 27 -21.788 -5.256 -11.020 108 HB2 ARG 27 HB2 ARG 27 -22.754 -7.512 -10.785 109 HB3 ARG 27 HB3 ARG 27 -24.053 -6.848 -9.792 110 HG2 ARG 27 HG2 ARG 27 -24.726 -5.382 -11.679 111 HG3 ARG 27 HG3 ARG 27 -23.439 -6.071 -12.661 112 HD2 ARG 27 HD2 ARG 27 -24.492 -8.335 -12.305 113 HD3 ARG 27 HD3 ARG 27 -25.856 -7.539 -11.528 114 HE ARG 27 HE ARG 27 -25.291 -6.426 -14.109 115 HH11 ARG 27 HH11 ARG 27 -26.997 -8.840 -12.293 116 HH12 ARG 27 HH12 ARG 27 -28.222 -9.072 -13.499 117 HH21 ARG 27 HH21 ARG 27 -26.959 -6.776 -15.703 118 HH22 ARG 27 HH22 ARG 27 -27.799 -8.292 -15.607 119 H VAL 28 H VAL 28 -23.865 -4.912 -8.149 120 HA VAL 28 HA VAL 28 -25.497 -2.880 -9.220 121 HB VAL 28 HB VAL 28 -26.134 -4.216 -7.267 122 HG11 VAL 28 HG11 VAL 28 -24.161 -2.582 -5.665 123 HG12 VAL 28 HG12 VAL 28 -23.764 -4.180 -6.299 124 HG13 VAL 28 HG13 VAL 28 -25.088 -3.994 -5.148 125 HG21 VAL 28 HG21 VAL 28 -27.002 -2.378 -5.880 126 HG22 VAL 28 HG22 VAL 28 -27.145 -1.974 -7.590 127 HG23 VAL 28 HG23 VAL 28 -25.860 -1.263 -6.616 128 H PHE 29 H PHE 29 -22.408 -2.815 -7.567 129 HA PHE 29 HA PHE 29 -22.231 -0.335 -6.571 130 HB2 PHE 29 HB2 PHE 29 -20.448 -2.390 -7.236 131 HB3 PHE 29 HB3 PHE 29 -19.776 -0.947 -7.995 132 HD1 PHE 29 HD1 PHE 29 -21.052 -2.245 -4.683 133 HD2 PHE 29 HD2 PHE 29 -18.507 0.572 -6.687 134 HE1 PHE 29 HE1 PHE 29 -21.155 -0.747 -2.714 135 HE2 PHE 29 HE2 PHE 29 -18.020 1.513 -4.435 136 HZ PHE 29 HZ PHE 29 -19.686 1.228 -2.639 137 HA PRO 30 HA PRO 30 -20.843 1.758 -10.709 138 HB2 PRO 30 HB2 PRO 30 -21.285 0.322 -13.037 139 HB3 PRO 30 HB3 PRO 30 -19.738 0.342 -12.176 140 HG2 PRO 30 HG2 PRO 30 -21.934 -1.682 -12.129 141 HG3 PRO 30 HG3 PRO 30 -20.186 -1.934 -12.185 142 HD2 PRO 30 HD2 PRO 30 -21.644 -2.170 -9.891 143 HD3 PRO 30 HD3 PRO 30 -19.958 -1.625 -9.887 144 H TYR 31 H TYR 31 -23.663 -0.420 -10.813 145 HA TYR 31 HA TYR 31 -25.274 1.252 -12.428 146 HB2 TYR 31 HB2 TYR 31 -25.851 -0.967 -10.496 147 HB3 TYR 31 HB3 TYR 31 -27.169 -0.005 -11.147 148 HD1 TYR 31 HD1 TYR 31 -24.052 -1.711 -12.457 149 HD2 TYR 31 HD2 TYR 31 -27.899 -0.219 -13.366 150 HE1 TYR 31 HE1 TYR 31 -24.152 -3.272 -14.384 151 HE2 TYR 31 HE2 TYR 31 -27.996 -1.651 -15.372 152 HH TYR 31 HH TYR 31 -25.535 -2.636 -16.852 153 H SER 32 H SER 32 -24.909 1.081 -8.891 154 HA SER 32 HA SER 32 -25.801 3.800 -8.567 155 HB2 SER 32 HB2 SER 32 -27.632 1.480 -7.998 156 HB3 SER 32 HB3 SER 32 -27.697 2.899 -6.962 157 HG SER 32 HG SER 32 -27.760 3.165 -9.763 158 HA PRO 33 HA PRO 33 -23.139 2.890 -5.016 159 HB2 PRO 33 HB2 PRO 33 -24.072 5.674 -4.374 160 HB3 PRO 33 HB3 PRO 33 -22.434 4.993 -4.362 161 HG2 PRO 33 HG2 PRO 33 -23.252 6.615 -6.294 162 HG3 PRO 33 HG3 PRO 33 -22.138 5.268 -6.594 163 HD2 PRO 33 HD2 PRO 33 -25.064 5.509 -7.215 164 HD3 PRO 33 HD3 PRO 33 -23.783 4.675 -8.129 165 H GLU 34 H GLU 34 -26.301 4.534 -4.827 166 HA GLU 34 HA GLU 34 -26.774 3.936 -2.136 167 HB2 GLU 34 HB2 GLU 34 -27.879 5.726 -3.388 168 HB3 GLU 34 HB3 GLU 34 -28.712 4.533 -4.375 169 HG2 GLU 34 HG2 GLU 34 -29.849 3.663 -2.376 170 HG3 GLU 34 HG3 GLU 34 -28.957 4.787 -1.368 171 H LEU 35 H LEU 35 -27.608 2.095 -5.058 172 HA LEU 35 HA LEU 35 -29.328 0.209 -3.750 173 HB2 LEU 35 HB2 LEU 35 -27.768 0.100 -6.339 174 HB3 LEU 35 HB3 LEU 35 -28.826 -1.194 -5.798 175 HG LEU 35 HG LEU 35 -29.749 1.673 -6.157 176 HD11 LEU 35 HD11 LEU 35 -29.097 -0.234 -8.164 177 HD12 LEU 35 HD12 LEU 35 -29.934 1.300 -8.376 178 HD13 LEU 35 HD13 LEU 35 -30.850 -0.171 -8.070 179 HD21 LEU 35 HD21 LEU 35 -30.911 -0.479 -4.803 180 HD22 LEU 35 HD22 LEU 35 -31.714 -0.470 -6.367 181 HD23 LEU 35 HD23 LEU 35 -31.736 0.974 -5.360 182 H ALA 36 H ALA 36 -25.913 0.439 -4.532 183 HA ALA 36 HA ALA 36 -25.092 -2.119 -3.652 184 HB1 ALA 36 HB1 ALA 36 -23.195 0.159 -3.415 185 HB2 ALA 36 HB2 ALA 36 -23.860 -0.166 -5.017 186 HB3 ALA 36 HB3 ALA 36 -22.989 -1.432 -4.153 187 H LYS 37 H LYS 37 -25.564 0.970 -2.037 188 HA LYS 37 HA LYS 37 -24.125 0.603 0.310 189 HB2 LYS 37 HB2 LYS 37 -25.452 2.674 -0.463 190 HB3 LYS 37 HB3 LYS 37 -26.913 1.828 0.022 191 HG2 LYS 37 HG2 LYS 37 -25.958 1.672 2.348 192 HG3 LYS 37 HG3 LYS 37 -24.663 2.733 1.794 193 HD2 LYS 37 HD2 LYS 37 -27.593 3.463 1.442 194 HD3 LYS 37 HD3 LYS 37 -26.683 3.887 2.878 195 HE2 LYS 37 HE2 LYS 37 -25.118 5.209 1.587 196 HE3 LYS 37 HE3 LYS 37 -25.870 4.711 0.069 197 HZ1 LYS 37 HZ1 LYS 37 -27.462 6.169 0.320 198 HZ2 LYS 37 HZ2 LYS 37 -26.544 6.879 1.561 199 HZ3 LYS 37 HZ3 LYS 37 -27.761 5.756 1.939 200 H ARG 38 H ARG 38 -27.539 -0.041 -0.349 201 HA ARG 38 HA ARG 38 -28.151 -1.245 2.095 202 HB2 ARG 38 HB2 ARG 38 -29.536 -1.306 -0.575 203 HB3 ARG 38 HB3 ARG 38 -30.191 -2.114 0.845 204 HG2 ARG 38 HG2 ARG 38 -30.132 0.043 2.086 205 HG3 ARG 38 HG3 ARG 38 -29.465 0.818 0.648 206 HD2 ARG 38 HD2 ARG 38 -32.133 -0.619 0.714 207 HD3 ARG 38 HD3 ARG 38 -31.938 1.118 0.910 208 HE ARG 38 HE ARG 38 -31.584 -0.349 -1.574 209 HH11 ARG 38 HH11 ARG 38 -30.996 2.586 0.252 210 HH12 ARG 38 HH12 ARG 38 -31.569 3.576 -1.040 211 HH21 ARG 38 HH21 ARG 38 -31.330 1.007 -3.387 212 HH22 ARG 38 HH22 ARG 38 -31.440 2.720 -3.173 213 H TYR 39 H TYR 39 -27.197 -2.783 -1.006 214 HA TYR 39 HA TYR 39 -27.625 -5.396 -0.110 215 HB2 TYR 39 HB2 TYR 39 -25.775 -4.327 -2.231 216 HB3 TYR 39 HB3 TYR 39 -25.959 -6.050 -1.924 217 HD1 TYR 39 HD1 TYR 39 -28.490 -6.843 -1.743 218 HD2 TYR 39 HD2 TYR 39 -27.228 -3.338 -3.849 219 HE1 TYR 39 HE1 TYR 39 -30.627 -6.808 -2.957 220 HE2 TYR 39 HE2 TYR 39 -29.449 -3.161 -4.900 221 HH TYR 39 HH TYR 39 -31.098 -4.960 -5.693 222 H VAL 40 H VAL 40 -24.662 -3.453 0.013 223 HA VAL 40 HA VAL 40 -23.044 -5.525 1.059 224 HB VAL 40 HB VAL 40 -22.700 -2.522 1.098 225 HG11 VAL 40 HG11 VAL 40 -21.423 -3.398 2.968 226 HG12 VAL 40 HG12 VAL 40 -20.290 -3.153 1.639 227 HG13 VAL 40 HG13 VAL 40 -20.895 -4.775 1.998 228 HG21 VAL 40 HG21 VAL 40 -21.753 -4.815 -0.605 229 HG22 VAL 40 HG22 VAL 40 -20.828 -3.313 -0.528 230 HG23 VAL 40 HG23 VAL 40 -22.487 -3.297 -1.128 231 H GLU 41 H GLU 41 -24.918 -2.944 2.673 232 HA GLU 41 HA GLU 41 -23.990 -3.458 5.287 233 HB2 GLU 41 HB2 GLU 41 -26.641 -2.377 4.305 234 HB3 GLU 41 HB3 GLU 41 -26.161 -2.409 5.996 235 HG2 GLU 41 HG2 GLU 41 -24.232 -1.004 5.532 236 HG3 GLU 41 HG3 GLU 41 -24.553 -1.039 3.811 237 H LEU 42 H LEU 42 -26.665 -4.791 3.398 238 HA LEU 42 HA LEU 42 -27.482 -6.835 5.128 239 HB2 LEU 42 HB2 LEU 42 -28.644 -6.280 3.145 240 HB3 LEU 42 HB3 LEU 42 -27.260 -6.636 2.133 241 HG LEU 42 HG LEU 42 -27.432 -9.052 2.772 242 HD11 LEU 42 HD11 LEU 42 -28.500 -8.741 5.000 243 HD12 LEU 42 HD12 LEU 42 -29.387 -9.862 3.969 244 HD13 LEU 42 HD13 LEU 42 -29.977 -8.211 4.185 245 HD21 LEU 42 HD21 LEU 42 -29.593 -9.465 1.570 246 HD22 LEU 42 HD22 LEU 42 -28.537 -8.311 0.759 247 HD23 LEU 42 HD23 LEU 42 -29.926 -7.735 1.682 248 H ALA 43 H ALA 43 -24.728 -6.779 2.810 249 HA ALA 43 HA ALA 43 -24.058 -9.505 3.190 250 HB1 ALA 43 HB1 ALA 43 -22.156 -9.085 1.925 251 HB2 ALA 43 HB2 ALA 43 -22.010 -7.420 2.489 252 HB3 ALA 43 HB3 ALA 43 -23.285 -7.857 1.352 253 H LEU 44 H LEU 44 -22.871 -6.542 4.829 254 HA LEU 44 HA LEU 44 -21.030 -7.875 6.520 255 HB2 LEU 44 HB2 LEU 44 -22.427 -5.237 6.594 256 HB3 LEU 44 HB3 LEU 44 -21.572 -5.789 8.032 257 HG LEU 44 HG LEU 44 -19.529 -6.124 6.605 258 HD11 LEU 44 HD11 LEU 44 -20.550 -6.428 4.398 259 HD12 LEU 44 HD12 LEU 44 -19.539 -4.986 4.342 260 HD13 LEU 44 HD13 LEU 44 -21.284 -4.827 4.499 261 HD21 LEU 44 HD21 LEU 44 -20.871 -3.448 6.906 262 HD22 LEU 44 HD22 LEU 44 -19.343 -3.527 6.035 263 HD23 LEU 44 HD23 LEU 44 -19.424 -4.051 7.716 264 H LEU 45 H LEU 45 -24.467 -7.069 6.954 265 HA LEU 45 HA LEU 45 -24.741 -8.123 9.551 266 HB2 LEU 45 HB2 LEU 45 -26.672 -7.681 7.281 267 HB3 LEU 45 HB3 LEU 45 -27.199 -8.424 8.790 268 HG LEU 45 HG LEU 45 -25.742 -5.766 8.663 269 HD11 LEU 45 HD11 LEU 45 -27.925 -4.706 8.984 270 HD12 LEU 45 HD12 LEU 45 -28.712 -6.286 8.993 271 HD13 LEU 45 HD13 LEU 45 -27.968 -5.678 7.511 272 HD21 LEU 45 HD21 LEU 45 -25.494 -6.593 10.850 273 HD22 LEU 45 HD22 LEU 45 -27.055 -7.412 10.818 274 HD23 LEU 45 HD23 LEU 45 -26.981 -5.658 10.981 275 H VAL 46 H VAL 46 -25.122 -9.619 6.352 276 HA VAL 46 HA VAL 46 -25.749 -12.224 7.227 277 HB VAL 46 HB VAL 46 -24.304 -11.228 4.755 278 HG11 VAL 46 HG11 VAL 46 -23.649 -13.477 4.894 279 HG12 VAL 46 HG12 VAL 46 -25.096 -13.531 3.879 280 HG13 VAL 46 HG13 VAL 46 -25.198 -13.982 5.587 281 HG21 VAL 46 HG21 VAL 46 -26.380 -10.861 3.894 282 HG22 VAL 46 HG22 VAL 46 -26.976 -11.003 5.545 283 HG23 VAL 46 HG23 VAL 46 -26.969 -12.412 4.488 284 H GLN 47 H GLN 47 -22.673 -10.552 6.681 285 HA GLN 47 HA GLN 47 -20.997 -12.812 6.759 286 HB2 GLN 47 HB2 GLN 47 -20.409 -10.599 5.802 287 HB3 GLN 47 HB3 GLN 47 -20.411 -9.903 7.414 288 HG2 GLN 47 HG2 GLN 47 -18.592 -11.431 8.087 289 HG3 GLN 47 HG3 GLN 47 -18.558 -12.087 6.446 290 HE21 GLN 47 HE21 GLN 47 -16.831 -11.149 5.298 291 HE22 GLN 47 HE22 GLN 47 -16.513 -9.479 5.277 292 H GLN 48 H GLN 48 -21.831 -10.438 9.329 293 HA GLN 48 HA GLN 48 -20.356 -11.724 11.367 294 HB2 GLN 48 HB2 GLN 48 -21.589 -10.322 12.911 295 HB3 GLN 48 HB3 GLN 48 -21.164 -9.386 11.478 296 HG2 GLN 48 HG2 GLN 48 -23.395 -9.790 10.550 297 HG3 GLN 48 HG3 GLN 48 -23.846 -10.667 12.017 298 HE21 GLN 48 HE21 GLN 48 -25.545 -9.102 12.511 299 HE22 GLN 48 HE22 GLN 48 -25.192 -7.491 12.906 300 H LYS 49 H LYS 49 -23.747 -12.044 10.370 301 HA LYS 49 HA LYS 49 -24.586 -13.762 12.455 302 HB2 LYS 49 HB2 LYS 49 -25.650 -13.281 9.676 303 HB3 LYS 49 HB3 LYS 49 -26.453 -14.307 10.867 304 HG2 LYS 49 HG2 LYS 49 -26.582 -12.430 12.432 305 HG3 LYS 49 HG3 LYS 49 -25.748 -11.380 11.286 306 HD2 LYS 49 HD2 LYS 49 -27.576 -11.716 9.664 307 HD3 LYS 49 HD3 LYS 49 -28.422 -12.730 10.837 308 HE2 LYS 49 HE2 LYS 49 -28.535 -10.845 12.420 309 HE3 LYS 49 HE3 LYS 49 -27.686 -9.815 11.279 310 HZ1 LYS 49 HZ1 LYS 49 -30.394 -10.983 11.028 311 HZ2 LYS 49 HZ2 LYS 49 -29.556 -10.393 9.674 312 HZ3 LYS 49 HZ3 LYS 49 -29.935 -9.351 10.958 313 H ALA 50 H ALA 50 -23.384 -14.434 9.185 314 HA ALA 50 HA ALA 50 -23.512 -17.279 9.427 315 HB1 ALA 50 HB1 ALA 50 -21.824 -15.607 7.544 316 HB2 ALA 50 HB2 ALA 50 -23.511 -16.038 7.274 317 HB3 ALA 50 HB3 ALA 50 -22.282 -17.300 7.347 318 H LYS 51 H LYS 51 -21.460 -14.921 10.722 319 HA LYS 51 HA LYS 51 -19.499 -14.967 11.843 320 HB2 LYS 51 HB2 LYS 51 -21.005 -16.970 12.862 321 HB3 LYS 51 HB3 LYS 51 -19.594 -17.898 12.368 322 HG2 LYS 51 HG2 LYS 51 -18.130 -16.382 13.632 323 HG3 LYS 51 HG3 LYS 51 -19.508 -15.356 14.022 324 HD2 LYS 51 HD2 LYS 51 -20.555 -17.201 15.259 325 HD3 LYS 51 HD3 LYS 51 -19.205 -18.255 14.856 326 HE2 LYS 51 HE2 LYS 51 -17.655 -16.715 16.063 327 HE3 LYS 51 HE3 LYS 51 -19.013 -15.666 16.446 328 HZ1 LYS 51 HZ1 LYS 51 -19.040 -18.517 17.205 329 HZ2 LYS 51 HZ2 LYS 51 -19.936 -17.229 17.856 330 HZ3 LYS 51 HZ3 LYS 51 -18.271 -17.351 18.172 331 H VAL 52 H VAL 52 -18.885 -14.747 9.379 332 HA VAL 52 HA VAL 52 -16.820 -16.806 8.817 333 HB VAL 52 HB VAL 52 -17.030 -15.982 6.422 334 HG11 VAL 52 HG11 VAL 52 -18.933 -17.432 5.943 335 HG12 VAL 52 HG12 VAL 52 -19.512 -17.272 7.597 336 HG13 VAL 52 HG13 VAL 52 -18.014 -18.136 7.269 337 HG21 VAL 52 HG21 VAL 52 -18.450 -13.924 7.329 338 HG22 VAL 52 HG22 VAL 52 -19.785 -15.059 7.192 339 HG23 VAL 52 HG23 VAL 52 -18.852 -14.624 5.764 340 H LYS 53 H LYS 53 -14.802 -16.133 8.851 341 HA LYS 53 HA LYS 53 -14.184 -13.331 9.277 342 HB2 LYS 53 HB2 LYS 53 -12.466 -15.828 9.080 343 HB3 LYS 53 HB3 LYS 53 -11.834 -14.225 9.447 344 HG2 LYS 53 HG2 LYS 53 -13.280 -14.101 11.430 345 HG3 LYS 53 HG3 LYS 53 -13.925 -15.706 11.075 346 HD2 LYS 53 HD2 LYS 53 -11.676 -16.672 11.315 347 HD3 LYS 53 HD3 LYS 53 -11.025 -15.072 11.662 348 HE2 LYS 53 HE2 LYS 53 -12.482 -14.927 13.669 349 HE3 LYS 53 HE3 LYS 53 -13.137 -16.524 13.302 350 HZ1 LYS 53 HZ1 LYS 53 -10.386 -16.772 13.260 351 HZ2 LYS 53 HZ2 LYS 53 -11.470 -17.381 14.418 352 HZ3 LYS 53 HZ3 LYS 53 -10.762 -15.851 14.639 353 H ILE 54 H ILE 54 -13.331 -11.950 7.811 354 HA ILE 54 HA ILE 54 -12.209 -13.052 5.308 355 HB ILE 54 HB ILE 54 -14.281 -10.874 5.647 356 HG12 ILE 54 HG12 ILE 54 -15.245 -12.214 3.642 357 HG13 ILE 54 HG13 ILE 54 -14.112 -13.474 4.124 358 HG21 ILE 54 HG21 ILE 54 -12.445 -11.437 3.312 359 HG22 ILE 54 HG22 ILE 54 -12.645 -9.903 4.164 360 HG23 ILE 54 HG23 ILE 54 -13.949 -10.530 3.155 361 HD11 ILE 54 HD11 ILE 54 -16.686 -13.006 5.170 362 HD12 ILE 54 HD12 ILE 54 -15.566 -12.475 6.423 363 HD13 ILE 54 HD13 ILE 54 -15.482 -14.123 5.801 364 HA PRO 55 HA PRO 55 -9.087 -10.319 7.193 365 HB2 PRO 55 HB2 PRO 55 -7.033 -11.068 5.511 366 HB3 PRO 55 HB3 PRO 55 -7.492 -11.930 6.991 367 HG2 PRO 55 HG2 PRO 55 -8.063 -12.563 4.161 368 HG3 PRO 55 HG3 PRO 55 -7.756 -13.644 5.531 369 HD2 PRO 55 HD2 PRO 55 -10.287 -13.155 4.525 370 HD3 PRO 55 HD3 PRO 55 -9.949 -13.664 6.196 371 H ARG 56 H ARG 56 -9.826 -10.502 3.718 372 HA ARG 56 HA ARG 56 -8.993 -7.686 3.477 373 HB2 ARG 56 HB2 ARG 56 -8.158 -9.989 1.745 374 HB3 ARG 56 HB3 ARG 56 -8.002 -8.297 1.259 375 HG2 ARG 56 HG2 ARG 56 -6.650 -7.817 3.282 376 HG3 ARG 56 HG3 ARG 56 -6.819 -9.500 3.783 377 HD2 ARG 56 HD2 ARG 56 -5.655 -10.250 1.803 378 HD3 ARG 56 HD3 ARG 56 -5.477 -8.594 1.220 379 HE ARG 56 HE ARG 56 -4.076 -9.814 3.491 380 HH11 ARG 56 HH11 ARG 56 -4.637 -6.771 1.698 381 HH12 ARG 56 HH12 ARG 56 -2.922 -6.511 1.716 382 HH21 ARG 56 HH21 ARG 56 -2.184 -8.683 4.175 383 HH22 ARG 56 HH22 ARG 56 -2.139 -6.970 3.945 384 H LYS 57 H LYS 57 -11.047 -10.278 2.110 385 HA LYS 57 HA LYS 57 -11.677 -8.892 -0.215 386 HB2 LYS 57 HB2 LYS 57 -13.319 -10.997 1.214 387 HB3 LYS 57 HB3 LYS 57 -13.693 -10.364 -0.381 388 HG2 LYS 57 HG2 LYS 57 -11.513 -11.162 -1.219 389 HG3 LYS 57 HG3 LYS 57 -11.103 -11.738 0.398 390 HD2 LYS 57 HD2 LYS 57 -13.113 -13.223 0.333 391 HD3 LYS 57 HD3 LYS 57 -13.447 -12.658 -1.299 392 HE2 LYS 57 HE2 LYS 57 -10.888 -14.088 -0.468 393 HE3 LYS 57 HE3 LYS 57 -12.237 -14.850 -1.319 394 HZ1 LYS 57 HZ1 LYS 57 -10.926 -14.278 -3.019 395 HZ2 LYS 57 HZ2 LYS 57 -10.298 -12.895 -2.256 396 HZ3 LYS 57 HZ3 LYS 57 -11.866 -12.863 -2.919 397 H TRP 58 H TRP 58 -13.391 -8.842 2.860 398 HA TRP 58 HA TRP 58 -15.127 -6.729 1.765 399 HB2 TRP 58 HB2 TRP 58 -15.676 -8.853 3.735 400 HB3 TRP 58 HB3 TRP 58 -16.248 -7.251 4.202 401 HD1 TRP 58 HD1 TRP 58 -17.106 -10.162 2.075 402 HE1 TRP 58 HE1 TRP 58 -19.202 -9.592 0.640 403 HE3 TRP 58 HE3 TRP 58 -16.848 -5.131 2.292 404 HZ2 TRP 58 HZ2 TRP 58 -20.112 -7.174 -0.798 405 HZ3 TRP 58 HZ3 TRP 58 -17.801 -3.803 0.423 406 HH2 TRP 58 HH2 TRP 58 -19.280 -4.892 -1.245 407 H LYS 59 H LYS 59 -12.800 -7.561 4.226 408 HA LYS 59 HA LYS 59 -13.224 -5.367 5.939 409 HB2 LYS 59 HB2 LYS 59 -11.969 -7.428 6.514 410 HB3 LYS 59 HB3 LYS 59 -10.669 -6.915 5.449 411 HG2 LYS 59 HG2 LYS 59 -10.321 -4.891 6.789 412 HG3 LYS 59 HG3 LYS 59 -11.679 -5.321 7.827 413 HD2 LYS 59 HD2 LYS 59 -10.496 -7.389 8.482 414 HD3 LYS 59 HD3 LYS 59 -9.138 -6.928 7.459 415 HE2 LYS 59 HE2 LYS 59 -8.781 -4.905 8.817 416 HE3 LYS 59 HE3 LYS 59 -10.142 -5.330 9.854 417 HZ1 LYS 59 HZ1 LYS 59 -7.732 -6.977 9.452 418 HZ2 LYS 59 HZ2 LYS 59 -9.025 -7.344 10.491 419 HZ3 LYS 59 HZ3 LYS 59 -8.042 -6.001 10.809 420 H ARG 60 H ARG 60 -11.078 -5.770 3.128 421 HA ARG 60 HA ARG 60 -10.017 -3.057 3.524 422 HB2 ARG 60 HB2 ARG 60 -9.048 -5.334 1.766 423 HB3 ARG 60 HB3 ARG 60 -8.295 -3.750 1.841 424 HG2 ARG 60 HG2 ARG 60 -8.686 -5.585 4.221 425 HG3 ARG 60 HG3 ARG 60 -7.182 -5.423 3.304 426 HD2 ARG 60 HD2 ARG 60 -8.563 -3.121 4.709 427 HD3 ARG 60 HD3 ARG 60 -7.243 -4.028 5.407 428 HE ARG 60 HE ARG 60 -7.041 -2.212 3.117 429 HH11 ARG 60 HH11 ARG 60 -5.416 -4.772 4.934 430 HH12 ARG 60 HH12 ARG 60 -3.957 -3.835 4.976 431 HH21 ARG 60 HH21 ARG 60 -4.857 -1.633 2.565 432 HH22 ARG 60 HH22 ARG 60 -3.608 -2.748 2.974 433 H ARG 61 H ARG 61 -12.564 -4.389 1.968 434 HA ARG 61 HA ARG 61 -12.218 -2.690 -0.415 435 HB2 ARG 61 HB2 ARG 61 -13.693 -5.305 -0.119 436 HB3 ARG 61 HB3 ARG 61 -13.883 -4.250 -1.515 437 HG2 ARG 61 HG2 ARG 61 -11.448 -4.342 -1.919 438 HG3 ARG 61 HG3 ARG 61 -11.259 -5.381 -0.510 439 HD2 ARG 61 HD2 ARG 61 -12.714 -7.083 -1.600 440 HD3 ARG 61 HD3 ARG 61 -12.888 -6.029 -2.991 441 HE ARG 61 HE ARG 61 -10.477 -7.521 -2.255 442 HH11 ARG 61 HH11 ARG 61 -11.812 -4.929 -4.133 443 HH12 ARG 61 HH12 ARG 61 -10.594 -5.038 -5.370 444 HH21 ARG 61 HH21 ARG 61 -8.947 -7.694 -3.921 445 HH22 ARG 61 HH22 ARG 61 -9.050 -6.623 -5.292 446 H TYR 62 H TYR 62 -13.472 -1.892 2.273 447 HA TYR 62 HA TYR 62 -15.950 -0.884 1.053 448 HB2 TYR 62 HB2 TYR 62 -17.381 -1.724 2.694 449 HB3 TYR 62 HB3 TYR 62 -16.281 -3.067 2.440 450 HD1 TYR 62 HD1 TYR 62 -13.971 -2.703 3.993 451 HD2 TYR 62 HD2 TYR 62 -17.727 -0.896 4.813 452 HE1 TYR 62 HE1 TYR 62 -13.379 -2.435 6.378 453 HE2 TYR 62 HE2 TYR 62 -17.406 -1.278 7.219 454 HH TYR 62 HH TYR 62 -14.370 -1.268 8.456 455 H CYS 63 H CYS 63 -16.973 0.834 2.152 456 HA CYS 63 HA CYS 63 -15.105 2.670 3.363 457 HB2 CYS 63 HB2 CYS 63 -16.633 3.631 1.768 458 HB3 CYS 63 HB3 CYS 63 -18.020 2.933 2.595 459 H LYS 64 H LYS 64 -15.467 3.733 5.329 460 HA LYS 64 HA LYS 64 -16.186 2.080 7.545 461 HB2 LYS 64 HB2 LYS 64 -15.693 5.073 7.317 462 HB3 LYS 64 HB3 LYS 64 -15.902 4.221 8.836 463 HG2 LYS 64 HG2 LYS 64 -13.916 2.797 8.279 464 HG3 LYS 64 HG3 LYS 64 -13.712 3.694 6.775 465 HD2 LYS 64 HD2 LYS 64 -13.705 4.978 9.503 466 HD3 LYS 64 HD3 LYS 64 -12.248 4.434 8.669 467 HE2 LYS 64 HE2 LYS 64 -12.922 5.933 6.730 468 HE3 LYS 64 HE3 LYS 64 -14.217 6.571 7.750 469 HZ1 LYS 64 HZ1 LYS 64 -11.312 6.688 8.268 470 HZ2 LYS 64 HZ2 LYS 64 -12.500 7.128 9.405 471 HZ3 LYS 64 HZ3 LYS 64 -12.361 7.994 7.945 472 H LYS 65 H LYS 65 -17.811 4.780 5.884 473 HA LYS 65 HA LYS 65 -20.249 4.186 7.387 474 HB2 LYS 65 HB2 LYS 65 -19.509 6.489 7.604 475 HB3 LYS 65 HB3 LYS 65 -19.599 6.724 5.863 476 HG2 LYS 65 HG2 LYS 65 -22.006 6.154 5.923 477 HG3 LYS 65 HG3 LYS 65 -21.888 5.811 7.645 478 HD2 LYS 65 HD2 LYS 65 -21.284 8.220 8.016 479 HD3 LYS 65 HD3 LYS 65 -21.451 8.492 6.279 480 HE2 LYS 65 HE2 LYS 65 -23.677 7.515 8.107 481 HE3 LYS 65 HE3 LYS 65 -23.481 9.160 7.498 482 HZ1 LYS 65 HZ1 LYS 65 -25.029 7.631 6.236 483 HZ2 LYS 65 HZ2 LYS 65 -23.647 6.819 5.684 484 HZ3 LYS 65 HZ3 LYS 65 -23.865 8.463 5.320 485 H CYS 66 H CYS 66 -19.101 3.844 4.058 486 HA CYS 66 HA CYS 66 -21.823 4.111 3.000 487 HB2 CYS 66 HB2 CYS 66 -19.670 2.416 1.741 488 HB3 CYS 66 HB3 CYS 66 -21.165 2.976 1.046 489 H HIS 67 H HIS 67 -19.615 1.661 4.312 490 HA HIS 67 HA HIS 67 -19.810 -0.568 4.716 491 HB2 HIS 67 HB2 HIS 67 -22.729 0.211 4.813 492 HB3 HIS 67 HB3 HIS 67 -22.167 -1.429 5.134 493 HD1 HIS 67 HD1 HIS 67 -23.473 0.451 7.308 494 HD2 HIS 67 HD2 HIS 67 -19.357 0.347 6.624 495 HE1 HIS 67 HE1 HIS 67 -22.247 0.582 9.604 496 HE2 HIS 67 HE2 HIS 67 -19.946 1.544 8.866 497 H ALA 68 H ALA 68 -19.410 0.417 2.293 498 HA ALA 68 HA ALA 68 -20.786 -1.324 0.346 499 HB1 ALA 68 HB1 ALA 68 -20.050 1.488 -0.360 500 HB2 ALA 68 HB2 ALA 68 -21.528 1.169 0.553 501 HB3 ALA 68 HB3 ALA 68 -21.301 0.442 -1.040 502 H PHE 69 H PHE 69 -19.604 -1.548 -1.666 503 HA PHE 69 HA PHE 69 -16.929 -2.330 -1.263 504 HB2 PHE 69 HB2 PHE 69 -18.710 -2.851 -3.193 505 HB3 PHE 69 HB3 PHE 69 -17.883 -1.529 -3.997 506 HD1 PHE 69 HD1 PHE 69 -15.098 -1.776 -3.592 507 HD2 PHE 69 HD2 PHE 69 -17.986 -4.926 -3.857 508 HE1 PHE 69 HE1 PHE 69 -13.348 -3.302 -4.420 509 HE2 PHE 69 HE2 PHE 69 -16.411 -6.151 -5.286 510 HZ PHE 69 HZ PHE 69 -13.980 -5.539 -5.267 511 H LEU 70 H LEU 70 -15.086 -1.099 -1.263 512 HA LEU 70 HA LEU 70 -15.289 1.732 -1.874 513 HB2 LEU 70 HB2 LEU 70 -13.876 0.407 0.000 514 HB3 LEU 70 HB3 LEU 70 -12.648 0.506 -1.249 515 HG LEU 70 HG LEU 70 -12.385 2.457 0.087 516 HD11 LEU 70 HD11 LEU 70 -14.007 3.546 -2.195 517 HD12 LEU 70 HD12 LEU 70 -12.451 2.752 -2.468 518 HD13 LEU 70 HD13 LEU 70 -12.540 4.190 -1.460 519 HD21 LEU 70 HD21 LEU 70 -14.920 2.180 0.870 520 HD22 LEU 70 HD22 LEU 70 -15.172 3.424 -0.358 521 HD23 LEU 70 HD23 LEU 70 -14.087 3.726 1.001 522 H VAL 71 H VAL 71 -15.460 2.044 -4.015 523 HA VAL 71 HA VAL 71 -13.135 1.309 -5.659 524 HB VAL 71 HB VAL 71 -15.885 1.342 -6.882 525 HG11 VAL 71 HG11 VAL 71 -13.281 -0.064 -7.568 526 HG12 VAL 71 HG12 VAL 71 -13.889 1.394 -8.339 527 HG13 VAL 71 HG13 VAL 71 -14.754 -0.128 -8.528 528 HG21 VAL 71 HG21 VAL 71 -15.962 -0.305 -5.019 529 HG22 VAL 71 HG22 VAL 71 -14.571 -1.130 -5.722 530 HG23 VAL 71 HG23 VAL 71 -16.094 -1.055 -6.607 531 HA PRO 72 HA PRO 72 -13.647 5.811 -5.995 532 HB2 PRO 72 HB2 PRO 72 -11.237 5.612 -7.709 533 HB3 PRO 72 HB3 PRO 72 -11.532 6.606 -6.267 534 HG2 PRO 72 HG2 PRO 72 -9.911 4.481 -6.284 535 HG3 PRO 72 HG3 PRO 72 -10.850 4.927 -4.847 536 HD2 PRO 72 HD2 PRO 72 -11.336 2.689 -6.771 537 HD3 PRO 72 HD3 PRO 72 -11.671 2.792 -5.026 538 H GLY 73 H GLY 73 -14.420 7.150 -7.540 539 HA2 GLY 73 HA2 GLY 73 -15.158 7.830 -9.645 540 HA3 GLY 73 HA3 GLY 73 -14.692 6.265 -10.304 541 H ILE 74 H ILE 74 -16.320 5.343 -7.601 542 HA ILE 74 HA ILE 74 -18.449 4.551 -9.520 543 HB ILE 74 HB ILE 74 -17.353 2.832 -7.302 544 HG12 ILE 74 HG12 ILE 74 -15.576 3.213 -8.947 545 HG13 ILE 74 HG13 ILE 74 -16.184 1.574 -9.089 546 HG21 ILE 74 HG21 ILE 74 -18.467 1.050 -8.713 547 HG22 ILE 74 HG22 ILE 74 -19.206 2.362 -9.632 548 HG23 ILE 74 HG23 ILE 74 -19.566 2.173 -7.914 549 HD11 ILE 74 HD11 ILE 74 -17.775 3.006 -10.875 550 HD12 ILE 74 HD12 ILE 74 -16.405 1.979 -11.304 551 HD13 ILE 74 HD13 ILE 74 -16.180 3.713 -11.107 552 H ASN 75 H ASN 75 -18.075 3.944 -5.995 553 HA ASN 75 HA ASN 75 -20.560 5.497 -5.512 554 HB2 ASN 75 HB2 ASN 75 -20.860 4.218 -3.632 555 HB3 ASN 75 HB3 ASN 75 -20.188 3.046 -4.756 556 HD21 ASN 75 HD21 ASN 75 -17.353 4.087 -4.450 557 HD22 ASN 75 HD22 ASN 75 -16.917 3.181 -3.087 558 H ALA 76 H ALA 76 -17.419 6.033 -5.754 559 HA ALA 76 HA ALA 76 -17.298 8.085 -3.759 560 HB1 ALA 76 HB1 ALA 76 -15.531 7.256 -2.433 561 HB2 ALA 76 HB2 ALA 76 -15.250 5.891 -3.520 562 HB3 ALA 76 HB3 ALA 76 -16.706 5.943 -2.517 563 H ARG 77 H ARG 77 -15.441 9.481 -4.091 564 HA ARG 77 HA ARG 77 -14.117 8.917 -6.665 565 HB2 ARG 77 HB2 ARG 77 -15.929 10.654 -6.790 566 HB3 ARG 77 HB3 ARG 77 -14.943 11.676 -5.749 567 HG2 ARG 77 HG2 ARG 77 -13.123 11.618 -7.400 568 HG3 ARG 77 HG3 ARG 77 -14.064 10.549 -8.436 569 HD2 ARG 77 HD2 ARG 77 -14.275 12.814 -9.243 570 HD3 ARG 77 HD3 ARG 77 -15.830 12.325 -8.562 571 HE ARG 77 HE ARG 77 -14.188 13.677 -6.641 572 HH11 ARG 77 HH11 ARG 77 -16.187 14.158 -9.414 573 HH12 ARG 77 HH12 ARG 77 -16.497 15.837 -9.089 574 HH21 ARG 77 HH21 ARG 77 -14.423 15.924 -6.326 575 HH22 ARG 77 HH22 ARG 77 -15.798 16.690 -7.053 576 H VAL 78 H VAL 78 -11.961 9.256 -6.786 577 HA VAL 78 HA VAL 78 -10.671 10.392 -4.392 578 HB VAL 78 HB VAL 78 -10.538 7.870 -4.514 579 HG11 VAL 78 HG11 VAL 78 -8.422 8.314 -6.603 580 HG12 VAL 78 HG12 VAL 78 -10.099 7.974 -7.031 581 HG13 VAL 78 HG13 VAL 78 -9.181 6.814 -6.072 582 HG21 VAL 78 HG21 VAL 78 -7.783 9.099 -4.655 583 HG22 VAL 78 HG22 VAL 78 -8.366 7.907 -3.506 584 HG23 VAL 78 HG23 VAL 78 -8.854 9.588 -3.354 585 H ARG 79 H ARG 79 -9.175 11.862 -4.766 586 HA ARG 79 HA ARG 79 -8.174 12.227 -7.532 587 HB2 ARG 79 HB2 ARG 79 -9.626 14.071 -6.774 588 HB3 ARG 79 HB3 ARG 79 -8.561 14.332 -5.389 589 HG2 ARG 79 HG2 ARG 79 -6.709 14.864 -6.917 590 HG3 ARG 79 HG3 ARG 79 -7.775 14.548 -8.298 591 HD2 ARG 79 HD2 ARG 79 -7.653 16.992 -7.837 592 HD3 ARG 79 HD3 ARG 79 -9.274 16.374 -7.482 593 HE ARG 79 HE ARG 79 -7.665 16.276 -5.157 594 HH11 ARG 79 HH11 ARG 79 -8.973 18.783 -7.288 595 HH12 ARG 79 HH12 ARG 79 -9.877 19.445 -5.967 596 HH21 ARG 79 HH21 ARG 79 -8.291 17.709 -3.500 597 HH22 ARG 79 HH22 ARG 79 -8.850 19.298 -3.911 598 H LEU 80 H LEU 80 -6.005 12.015 -7.736 599 HA LEU 80 HA LEU 80 -4.428 11.725 -5.248 600 HB2 LEU 80 HB2 LEU 80 -3.803 10.653 -8.031 601 HB3 LEU 80 HB3 LEU 80 -3.010 10.231 -6.517 602 HG LEU 80 HG LEU 80 -5.428 9.548 -5.748 603 HD11 LEU 80 HD11 LEU 80 -6.959 9.863 -7.379 604 HD12 LEU 80 HD12 LEU 80 -6.243 8.449 -8.153 605 HD13 LEU 80 HD13 LEU 80 -5.722 10.065 -8.618 606 HD21 LEU 80 HD21 LEU 80 -3.915 7.771 -5.776 607 HD22 LEU 80 HD22 LEU 80 -3.444 8.072 -7.449 608 HD23 LEU 80 HD23 LEU 80 -4.977 7.283 -7.096 609 H ARG 81 H ARG 81 -3.197 13.453 -4.810 610 HA ARG 81 HA ARG 81 -2.170 15.090 -7.022 611 HB2 ARG 81 HB2 ARG 81 -2.484 15.666 -4.081 612 HB3 ARG 81 HB3 ARG 81 -1.612 16.735 -5.178 613 HG2 ARG 81 HG2 ARG 81 -3.623 16.980 -6.565 614 HG3 ARG 81 HG3 ARG 81 -4.503 15.876 -5.510 615 HD2 ARG 81 HD2 ARG 81 -4.161 17.443 -3.623 616 HD3 ARG 81 HD3 ARG 81 -3.273 18.538 -4.671 617 HE ARG 81 HE ARG 81 -6.160 18.155 -4.640 618 HH11 ARG 81 HH11 ARG 81 -3.500 19.031 -6.647 619 HH12 ARG 81 HH12 ARG 81 -4.160 20.566 -7.107 620 HH21 ARG 81 HH21 ARG 81 -7.260 19.882 -5.862 621 HH22 ARG 81 HH22 ARG 81 -6.222 21.127 -6.471 622 H GLN 82 H GLN 82 -0.143 15.312 -7.495 623 HA GLN 82 HA GLN 82 1.859 13.918 -5.818 624 HB2 GLN 82 HB2 GLN 82 1.665 14.264 -8.830 625 HB3 GLN 82 HB3 GLN 82 3.100 13.632 -8.033 626 HG2 GLN 82 HG2 GLN 82 1.757 11.795 -7.078 627 HG3 GLN 82 HG3 GLN 82 0.310 12.467 -7.827 628 HE21 GLN 82 HE21 GLN 82 2.540 10.066 -8.317 629 HE22 GLN 82 HE22 GLN 82 2.290 9.882 -9.992 630 H LYS 83 H LYS 83 1.480 16.258 -4.902 631 HA LYS 83 HA LYS 83 3.667 17.984 -5.741 632 HB2 LYS 83 HB2 LYS 83 2.001 17.792 -3.191 633 HB3 LYS 83 HB3 LYS 83 3.233 19.017 -3.478 634 HG2 LYS 83 HG2 LYS 83 2.018 19.793 -5.478 635 HG3 LYS 83 HG3 LYS 83 0.792 18.557 -5.229 636 HD2 LYS 83 HD2 LYS 83 0.231 19.573 -3.045 637 HD3 LYS 83 HD3 LYS 83 1.428 20.832 -3.333 638 HE2 LYS 83 HE2 LYS 83 0.207 21.572 -5.345 639 HE3 LYS 83 HE3 LYS 83 -0.979 20.291 -5.094 640 HZ1 LYS 83 HZ1 LYS 83 -1.740 22.421 -4.255 641 HZ2 LYS 83 HZ2 LYS 83 -0.384 22.519 -3.239 642 HZ3 LYS 83 HZ3 LYS 83 -1.554 21.313 -2.982 643 H ARG 84 H ARG 84 5.470 18.119 -3.645 644 HA ARG 84 HA ARG 84 6.308 15.274 -3.343 645 HB2 ARG 84 HB2 ARG 84 7.614 17.939 -2.562 646 HB3 ARG 84 HB3 ARG 84 8.319 16.358 -2.286 647 HG2 ARG 84 HG2 ARG 84 8.451 15.939 -4.693 648 HG3 ARG 84 HG3 ARG 84 7.653 17.474 -5.018 649 HD2 ARG 84 HD2 ARG 84 9.496 18.655 -3.854 650 HD3 ARG 84 HD3 ARG 84 10.302 17.132 -3.554 651 HE ARG 84 HE ARG 84 10.758 16.939 -5.914 652 HH11 ARG 84 HH11 ARG 84 8.848 19.757 -5.227 653 HH12 ARG 84 HH12 ARG 84 9.408 20.622 -6.621 654 HH21 ARG 84 HH21 ARG 84 11.480 18.099 -7.705 655 HH22 ARG 84 HH22 ARG 84 10.947 19.715 -7.986 656 H MET 85 H MET 85 3.896 16.095 -2.244 657 HA MET 85 HA MET 85 4.536 14.806 0.277 658 HB2 MET 85 HB2 MET 85 2.452 16.082 1.209 659 HB3 MET 85 HB3 MET 85 4.020 16.878 1.234 660 HG2 MET 85 HG2 MET 85 3.086 17.597 -1.258 661 HG3 MET 85 HG3 MET 85 1.601 17.542 -0.330 662 HE1 MET 85 HE1 MET 85 1.483 20.564 1.649 663 HE2 MET 85 HE2 MET 85 1.041 18.856 1.666 664 HE3 MET 85 HE3 MET 85 0.788 19.819 0.209 665 HA PRO 86 HA PRO 86 1.625 12.657 -2.513 666 HB2 PRO 86 HB2 PRO 86 1.785 10.383 -0.589 667 HB3 PRO 86 HB3 PRO 86 2.038 10.402 -2.342 668 HG2 PRO 86 HG2 PRO 86 4.036 10.164 -0.540 669 HG3 PRO 86 HG3 PRO 86 4.236 10.930 -2.125 670 HD2 PRO 86 HD2 PRO 86 4.069 12.168 0.583 671 HD3 PRO 86 HD3 PRO 86 4.926 12.736 -0.864 672 H HIS 87 H HIS 87 -0.607 12.565 -2.412 673 HA HIS 87 HA HIS 87 -2.040 12.247 0.084 674 HB2 HIS 87 HB2 HIS 87 -1.288 14.565 0.295 675 HB3 HIS 87 HB3 HIS 87 -1.992 14.962 -1.269 676 HD1 HIS 87 HD1 HIS 87 -3.238 13.269 1.945 677 HD2 HIS 87 HD2 HIS 87 -4.344 16.288 -0.745 678 HE1 HIS 87 HE1 HIS 87 -5.182 14.553 2.968 679 HE2 HIS 87 HE2 HIS 87 -6.198 15.941 1.090 680 H ILE 88 H ILE 88 -4.095 11.646 -0.202 681 HA ILE 88 HA ILE 88 -5.323 12.047 -2.848 682 HB ILE 88 HB ILE 88 -6.303 9.831 -2.831 683 HG12 ILE 88 HG12 ILE 88 -4.586 9.229 -0.395 684 HG13 ILE 88 HG13 ILE 88 -6.303 9.588 -0.290 685 HG21 ILE 88 HG21 ILE 88 -3.316 9.583 -2.350 686 HG22 ILE 88 HG22 ILE 88 -3.998 10.279 -3.814 687 HG23 ILE 88 HG23 ILE 88 -4.317 8.595 -3.410 688 HD11 ILE 88 HD11 ILE 88 -4.946 7.253 -1.656 689 HD12 ILE 88 HD12 ILE 88 -6.615 7.680 -2.012 690 HD13 ILE 88 HD13 ILE 88 -6.152 7.216 -0.374 691 H VAL 89 H VAL 89 -7.515 12.541 -2.789 692 HA VAL 89 HA VAL 89 -8.742 12.669 -0.096 693 HB VAL 89 HB VAL 89 -10.226 14.426 -1.147 694 HG11 VAL 89 HG11 VAL 89 -8.088 14.752 0.307 695 HG12 VAL 89 HG12 VAL 89 -8.699 16.144 -0.586 696 HG13 VAL 89 HG13 VAL 89 -7.321 15.233 -1.208 697 HG21 VAL 89 HG21 VAL 89 -8.064 14.872 -3.161 698 HG22 VAL 89 HG22 VAL 89 -9.757 15.342 -3.230 699 HG23 VAL 89 HG23 VAL 89 -9.297 13.675 -3.539 700 H VAL 90 H VAL 90 -10.572 11.625 0.272 701 HA VAL 90 HA VAL 90 -11.819 10.188 -1.992 702 HB VAL 90 HB VAL 90 -11.092 9.122 0.746 703 HG11 VAL 90 HG11 VAL 90 -12.175 6.975 -0.346 704 HG12 VAL 90 HG12 VAL 90 -13.165 8.161 -1.192 705 HG13 VAL 90 HG13 VAL 90 -13.149 8.120 0.571 706 HG21 VAL 90 HG21 VAL 90 -10.094 7.305 -0.789 707 HG22 VAL 90 HG22 VAL 90 -9.276 8.868 -0.771 708 HG23 VAL 90 HG23 VAL 90 -10.349 8.447 -2.105 709 H LYS 91 H LYS 91 -13.937 10.380 -2.117 710 HA LYS 91 HA LYS 91 -15.480 10.941 0.281 711 HB2 LYS 91 HB2 LYS 91 -16.998 12.456 -1.215 712 HB3 LYS 91 HB3 LYS 91 -15.582 13.142 -0.439 713 HG2 LYS 91 HG2 LYS 91 -15.616 12.166 -3.296 714 HG3 LYS 91 HG3 LYS 91 -15.914 13.839 -2.843 715 HD2 LYS 91 HD2 LYS 91 -13.678 13.910 -1.760 716 HD3 LYS 91 HD3 LYS 91 -13.361 12.278 -2.322 717 HE2 LYS 91 HE2 LYS 91 -13.599 12.955 -4.652 718 HE3 LYS 91 HE3 LYS 91 -13.935 14.613 -4.148 719 HZ1 LYS 91 HZ1 LYS 91 -11.447 13.061 -3.701 720 HZ2 LYS 91 HZ2 LYS 91 -11.739 14.614 -3.069 721 HZ3 LYS 91 HZ3 LYS 91 -11.645 14.380 -4.753 722 H CYS 92 H CYS 92 -17.557 10.037 0.236 723 HA CYS 92 HA CYS 92 -17.971 8.190 -2.028 724 HB2 CYS 92 HB2 CYS 92 -19.557 7.147 -0.066 725 HB3 CYS 92 HB3 CYS 92 -17.954 6.573 -0.505 726 H LEU 93 H LEU 93 -19.857 8.259 -3.041 727 HA LEU 93 HA LEU 93 -21.696 10.406 -2.705 728 HB2 LEU 93 HB2 LEU 93 -21.817 7.823 -4.267 729 HB3 LEU 93 HB3 LEU 93 -23.074 9.062 -4.340 730 HG LEU 93 HG LEU 93 -20.147 9.650 -4.854 731 HD11 LEU 93 HD11 LEU 93 -21.064 8.035 -6.526 732 HD12 LEU 93 HD12 LEU 93 -20.635 9.592 -7.225 733 HD13 LEU 93 HD13 LEU 93 -22.327 9.207 -6.905 734 HD21 LEU 93 HD21 LEU 93 -20.909 11.784 -4.719 735 HD22 LEU 93 HD22 LEU 93 -22.577 11.233 -4.600 736 HD23 LEU 93 HD23 LEU 93 -21.838 11.461 -6.182 737 H GLU 94 H GLU 94 -21.757 6.982 -1.758 738 HA GLU 94 HA GLU 94 -24.411 6.905 -0.934 739 HB2 GLU 94 HB2 GLU 94 -22.085 5.213 -0.024 740 HB3 GLU 94 HB3 GLU 94 -23.759 4.842 0.358 741 HG2 GLU 94 HG2 GLU 94 -24.280 4.766 -2.059 742 HG3 GLU 94 HG3 GLU 94 -22.587 5.123 -2.411 743 H CYS 95 H CYS 95 -21.468 7.503 0.999 744 HA CYS 95 HA CYS 95 -22.986 8.196 3.367 745 HB2 CYS 95 HB2 CYS 95 -20.072 8.697 2.773 746 HB3 CYS 95 HB3 CYS 95 -20.861 8.945 4.322 747 H GLY 96 H GLY 96 -21.666 9.909 0.600 748 HA2 GLY 96 HA2 GLY 96 -21.939 12.096 -0.075 749 HA3 GLY 96 HA3 GLY 96 -22.972 12.372 1.318 750 H HIS 97 H HIS 97 -19.901 11.022 1.950 751 HA HIS 97 HA HIS 97 -19.070 13.568 3.207 752 HB2 HIS 97 HB2 HIS 97 -19.104 10.796 4.373 753 HB3 HIS 97 HB3 HIS 97 -18.159 12.112 5.067 754 HD1 HIS 97 HD1 HIS 97 -21.846 11.387 4.101 755 HD2 HIS 97 HD2 HIS 97 -19.566 13.793 6.699 756 HE1 HIS 97 HE1 HIS 97 -23.410 12.308 5.890 757 HE2 HIS 97 HE2 HIS 97 -22.152 14.209 7.007 758 H ILE 98 H ILE 98 -16.884 13.904 3.546 759 HA ILE 98 HA ILE 98 -15.181 12.436 1.638 760 HB ILE 98 HB ILE 98 -15.621 14.773 0.999 761 HG12 ILE 98 HG12 ILE 98 -12.780 14.436 1.986 762 HG13 ILE 98 HG13 ILE 98 -13.416 13.608 0.571 763 HG21 ILE 98 HG21 ILE 98 -14.119 15.572 3.507 764 HG22 ILE 98 HG22 ILE 98 -15.882 15.554 3.427 765 HG23 ILE 98 HG23 ILE 98 -14.963 16.619 2.364 766 HD11 ILE 98 HD11 ILE 98 -13.789 15.716 -0.582 767 HD12 ILE 98 HD12 ILE 98 -12.147 15.754 0.049 768 HD13 ILE 98 HD13 ILE 98 -13.423 16.638 0.873 769 H MET 99 H MET 99 -13.484 11.495 2.290 770 HA MET 99 HA MET 99 -12.238 12.177 4.883 771 HB2 MET 99 HB2 MET 99 -13.252 9.939 4.938 772 HB3 MET 99 HB3 MET 99 -12.320 9.483 3.514 773 HG2 MET 99 HG2 MET 99 -10.226 9.797 4.773 774 HG3 MET 99 HG3 MET 99 -11.142 10.358 6.174 775 HE1 MET 99 HE1 MET 99 -10.712 7.847 3.561 776 HE2 MET 99 HE2 MET 99 -12.138 6.858 3.878 777 HE3 MET 99 HE3 MET 99 -10.547 6.305 4.399 778 H ARG 100 H ARG 100 -10.226 12.887 4.751 779 HA ARG 100 HA ARG 100 -8.784 12.743 2.208 780 HB2 ARG 100 HB2 ARG 100 -8.266 14.284 4.777 781 HB3 ARG 100 HB3 ARG 100 -7.247 14.375 3.345 782 HG2 ARG 100 HG2 ARG 100 -9.177 15.154 2.019 783 HG3 ARG 100 HG3 ARG 100 -10.204 15.064 3.451 784 HD2 ARG 100 HD2 ARG 100 -7.734 16.785 3.243 785 HD3 ARG 100 HD3 ARG 100 -9.381 17.368 3.010 786 HE ARG 100 HE ARG 100 -8.180 16.631 5.554 787 HH11 ARG 100 HH11 ARG 100 -11.164 17.079 3.791 788 HH12 ARG 100 HH12 ARG 100 -11.972 17.800 5.145 789 HH21 ARG 100 HH21 ARG 100 -9.382 17.490 7.343 790 HH22 ARG 100 HH22 ARG 100 -11.102 17.349 7.244 791 H TYR 101 H TYR 101 -6.876 11.556 1.961 792 HA TYR 101 HA TYR 101 -5.881 10.069 4.320 793 HB2 TYR 101 HB2 TYR 101 -6.992 9.097 1.897 794 HB3 TYR 101 HB3 TYR 101 -5.273 8.737 1.839 795 HD1 TYR 101 HD1 TYR 101 -4.373 8.062 4.408 796 HD2 TYR 101 HD2 TYR 101 -8.010 7.038 2.428 797 HE1 TYR 101 HE1 TYR 101 -4.737 6.251 6.045 798 HE2 TYR 101 HE2 TYR 101 -8.462 5.278 4.129 799 HH TYR 101 HH TYR 101 -7.251 4.942 6.879 800 HA PRO 102 HA PRO 102 -2.132 12.334 2.994 801 HB2 PRO 102 HB2 PRO 102 -1.249 11.413 5.677 802 HB3 PRO 102 HB3 PRO 102 -1.198 13.037 4.968 803 HG2 PRO 102 HG2 PRO 102 -2.934 12.391 6.892 804 HG3 PRO 102 HG3 PRO 102 -3.355 13.508 5.587 805 HD2 PRO 102 HD2 PRO 102 -4.121 10.593 5.881 806 HD3 PRO 102 HD3 PRO 102 -5.094 11.964 5.310 807 H TYR 103 H TYR 103 -0.365 11.414 2.039 808 HA TYR 103 HA TYR 103 0.700 8.920 3.130 809 HB2 TYR 103 HB2 TYR 103 0.269 9.458 0.200 810 HB3 TYR 103 HB3 TYR 103 1.378 8.225 0.796 811 HD1 TYR 103 HD1 TYR 103 -2.195 9.248 0.566 812 HD2 TYR 103 HD2 TYR 103 0.582 6.206 1.757 813 HE1 TYR 103 HE1 TYR 103 -4.016 7.552 0.610 814 HE2 TYR 103 HE2 TYR 103 -1.281 4.654 2.176 815 HH TYR 103 HH TYR 103 -4.521 5.400 1.905 816 H ILE 104 H ILE 104 2.859 8.669 3.120 817 HA ILE 104 HA ILE 104 4.470 11.074 2.493 818 HB ILE 104 HB ILE 104 4.920 8.985 4.640 819 HG12 ILE 104 HG12 ILE 104 3.076 10.498 5.190 820 HG13 ILE 104 HG13 ILE 104 4.475 10.820 6.209 821 HG21 ILE 104 HG21 ILE 104 6.766 10.511 5.353 822 HG22 ILE 104 HG22 ILE 104 6.485 11.464 3.898 823 HG23 ILE 104 HG23 ILE 104 7.041 9.798 3.770 824 HD11 ILE 104 HD11 ILE 104 3.928 12.982 5.607 825 HD12 ILE 104 HD12 ILE 104 3.295 12.503 4.032 826 HD13 ILE 104 HD13 ILE 104 5.039 12.584 4.295 827 H LYS 105 H LYS 105 6.138 10.803 1.095 828 HA LYS 105 HA LYS 105 6.351 8.415 -0.459 829 HB2 LYS 105 HB2 LYS 105 6.832 10.687 -1.301 830 HB3 LYS 105 HB3 LYS 105 8.243 10.768 -0.244 831 HG2 LYS 105 HG2 LYS 105 9.220 8.816 -1.395 832 HG3 LYS 105 HG3 LYS 105 7.780 8.685 -2.400 833 HD2 LYS 105 HD2 LYS 105 8.254 10.933 -3.343 834 HD3 LYS 105 HD3 LYS 105 9.693 11.045 -2.333 835 HE2 LYS 105 HE2 LYS 105 10.639 9.058 -3.452 836 HE3 LYS 105 HE3 LYS 105 9.179 8.912 -4.429 837 HZ1 LYS 105 HZ1 LYS 105 10.291 10.197 -5.860 838 HZ2 LYS 105 HZ2 LYS 105 11.417 10.704 -4.693 839 HZ3 LYS 105 HZ3 LYS 105 9.917 11.490 -4.821 Start of MODEL 20 1 H LYS 15 H LYS 15 -19.346 -17.372 3.824 2 HA LYS 15 HA LYS 15 -17.040 -17.675 3.228 3 HB2 LYS 15 HB2 LYS 15 -16.921 -20.004 4.082 4 HB3 LYS 15 HB3 LYS 15 -17.875 -20.541 2.702 5 HG2 LYS 15 HG2 LYS 15 -16.132 -19.756 1.162 6 HG3 LYS 15 HG3 LYS 15 -15.182 -19.154 2.521 7 HD2 LYS 15 HD2 LYS 15 -15.015 -21.455 3.419 8 HD3 LYS 15 HD3 LYS 15 -15.939 -22.063 2.045 9 HE2 LYS 15 HE2 LYS 15 -14.195 -21.227 0.512 10 HE3 LYS 15 HE3 LYS 15 -13.280 -20.618 1.891 11 HZ1 LYS 15 HZ1 LYS 15 -12.450 -22.784 1.231 12 HZ2 LYS 15 HZ2 LYS 15 -13.998 -23.459 1.376 13 HZ3 LYS 15 HZ3 LYS 15 -13.184 -22.895 2.754 14 H GLU 16 H GLU 16 -18.828 -20.007 1.290 15 HA GLU 16 HA GLU 16 -18.660 -18.605 -1.113 16 HB2 GLU 16 HB2 GLU 16 -19.014 -21.032 -0.967 17 HB3 GLU 16 HB3 GLU 16 -20.632 -20.765 -0.330 18 HG2 GLU 16 HG2 GLU 16 -21.268 -19.597 -2.393 19 HG3 GLU 16 HG3 GLU 16 -19.639 -19.797 -3.024 20 H ARG 17 H ARG 17 -21.199 -18.640 1.324 21 HA ARG 17 HA ARG 17 -23.217 -17.288 0.008 22 HB2 ARG 17 HB2 ARG 17 -23.413 -18.272 2.284 23 HB3 ARG 17 HB3 ARG 17 -22.438 -16.948 2.914 24 HG2 ARG 17 HG2 ARG 17 -24.107 -15.321 2.118 25 HG3 ARG 17 HG3 ARG 17 -25.103 -16.633 1.494 26 HD2 ARG 17 HD2 ARG 17 -25.312 -17.551 3.774 27 HD3 ARG 17 HD3 ARG 17 -24.321 -16.236 4.398 28 HE ARG 17 HE ARG 17 -26.088 -14.737 4.037 29 HH11 ARG 17 HH11 ARG 17 -26.758 -17.618 2.268 30 HH12 ARG 17 HH12 ARG 17 -28.409 -17.705 2.789 31 HH21 ARG 17 HH21 ARG 17 -28.257 -14.325 3.805 32 HH22 ARG 17 HH22 ARG 17 -29.308 -15.520 3.122 33 H ILE 18 H ILE 18 -20.598 -15.811 1.970 34 HA ILE 18 HA ILE 18 -21.201 -13.172 1.371 35 HB ILE 18 HB ILE 18 -18.513 -14.491 1.863 36 HG12 ILE 18 HG12 ILE 18 -20.173 -14.609 3.693 37 HG13 ILE 18 HG13 ILE 18 -18.764 -13.658 4.126 38 HG21 ILE 18 HG21 ILE 18 -19.241 -11.584 1.537 39 HG22 ILE 18 HG22 ILE 18 -17.916 -12.473 0.795 40 HG23 ILE 18 HG23 ILE 18 -17.857 -12.073 2.509 41 HD11 ILE 18 HD11 ILE 18 -20.730 -11.908 2.962 42 HD12 ILE 18 HD12 ILE 18 -20.065 -11.898 4.592 43 HD13 ILE 18 HD13 ILE 18 -21.485 -12.875 4.229 44 H ASP 19 H ASP 19 -19.158 -15.457 -0.406 45 HA ASP 19 HA ASP 19 -18.173 -13.641 -2.274 46 HB2 ASP 19 HB2 ASP 19 -18.447 -16.614 -2.174 47 HB3 ASP 19 HB3 ASP 19 -17.954 -15.860 -3.682 48 H ILE 20 H ILE 20 -21.029 -15.762 -2.497 49 HA ILE 20 HA ILE 20 -21.932 -14.980 -5.027 50 HB ILE 20 HB ILE 20 -23.529 -15.709 -2.537 51 HG12 ILE 20 HG12 ILE 20 -22.891 -17.416 -4.964 52 HG13 ILE 20 HG13 ILE 20 -21.925 -17.439 -3.493 53 HG21 ILE 20 HG21 ILE 20 -24.349 -15.311 -5.416 54 HG22 ILE 20 HG22 ILE 20 -25.055 -14.588 -3.978 55 HG23 ILE 20 HG23 ILE 20 -25.296 -16.295 -4.311 56 HD11 ILE 20 HD11 ILE 20 -23.491 -19.224 -3.254 57 HD12 ILE 20 HD12 ILE 20 -24.839 -18.208 -3.764 58 HD13 ILE 20 HD13 ILE 20 -24.053 -17.921 -2.211 59 H LEU 21 H LEU 21 -22.659 -13.631 -1.847 60 HA LEU 21 HA LEU 21 -24.330 -11.543 -2.642 61 HB2 LEU 21 HB2 LEU 21 -23.861 -12.483 -0.286 62 HB3 LEU 21 HB3 LEU 21 -22.505 -11.370 -0.240 63 HG LEU 21 HG LEU 21 -24.405 -10.314 0.820 64 HD11 LEU 21 HD11 LEU 21 -24.550 -8.285 -0.339 65 HD12 LEU 21 HD12 LEU 21 -24.418 -9.053 -1.913 66 HD13 LEU 21 HD13 LEU 21 -23.001 -8.933 -0.864 67 HD21 LEU 21 HD21 LEU 21 -26.567 -10.299 -0.017 68 HD22 LEU 21 HD22 LEU 21 -25.995 -11.860 -0.597 69 HD23 LEU 21 HD23 LEU 21 -26.038 -10.478 -1.688 70 H PHE 22 H PHE 22 -20.877 -11.679 -2.163 71 HA PHE 22 HA PHE 22 -20.169 -9.038 -2.602 72 HB2 PHE 22 HB2 PHE 22 -18.630 -10.732 -1.761 73 HB3 PHE 22 HB3 PHE 22 -18.677 -11.589 -3.295 74 HD1 PHE 22 HD1 PHE 22 -17.597 -8.469 -1.614 75 HD2 PHE 22 HD2 PHE 22 -17.178 -11.002 -5.050 76 HE1 PHE 22 HE1 PHE 22 -15.569 -7.227 -2.298 77 HE2 PHE 22 HE2 PHE 22 -15.244 -9.661 -5.804 78 HZ PHE 22 HZ PHE 22 -14.714 -7.546 -4.638 79 H SER 23 H SER 23 -20.556 -11.671 -4.945 80 HA SER 23 HA SER 23 -19.733 -10.277 -7.267 81 HB2 SER 23 HB2 SER 23 -21.682 -12.564 -6.932 82 HB3 SER 23 HB3 SER 23 -20.998 -12.040 -8.470 83 HG SER 23 HG SER 23 -19.728 -13.688 -7.694 84 H LEU 24 H LEU 24 -22.920 -10.631 -5.727 85 HA LEU 24 HA LEU 24 -24.373 -9.179 -7.741 86 HB2 LEU 24 HB2 LEU 24 -24.953 -9.759 -4.821 87 HB3 LEU 24 HB3 LEU 24 -26.054 -8.873 -5.876 88 HG LEU 24 HG LEU 24 -25.013 -11.644 -6.519 89 HD11 LEU 24 HD11 LEU 24 -27.336 -12.375 -5.814 90 HD12 LEU 24 HD12 LEU 24 -27.522 -10.795 -5.055 91 HD13 LEU 24 HD13 LEU 24 -26.257 -11.896 -4.505 92 HD21 LEU 24 HD21 LEU 24 -26.089 -11.370 -8.467 93 HD22 LEU 24 HD22 LEU 24 -26.425 -9.697 -8.028 94 HD23 LEU 24 HD23 LEU 24 -27.584 -10.963 -7.630 95 H ALA 25 H ALA 25 -22.838 -8.355 -4.668 96 HA ALA 25 HA ALA 25 -23.554 -5.666 -4.586 97 HB1 ALA 25 HB1 ALA 25 -21.715 -5.393 -3.002 98 HB2 ALA 25 HB2 ALA 25 -21.008 -6.919 -3.528 99 HB3 ALA 25 HB3 ALA 25 -22.559 -6.909 -2.693 100 H GLU 26 H GLU 26 -20.626 -7.141 -6.013 101 HA GLU 26 HA GLU 26 -19.491 -4.745 -6.818 102 HB2 GLU 26 HB2 GLU 26 -18.258 -6.853 -6.725 103 HB3 GLU 26 HB3 GLU 26 -19.143 -7.444 -8.130 104 HG2 GLU 26 HG2 GLU 26 -18.261 -5.610 -9.493 105 HG3 GLU 26 HG3 GLU 26 -17.421 -4.946 -8.096 106 H ARG 27 H ARG 27 -21.685 -6.823 -8.745 107 HA ARG 27 HA ARG 27 -21.577 -5.193 -11.058 108 HB2 ARG 27 HB2 ARG 27 -23.695 -7.110 -10.076 109 HB3 ARG 27 HB3 ARG 27 -23.807 -6.244 -11.607 110 HG2 ARG 27 HG2 ARG 27 -21.667 -7.251 -12.339 111 HG3 ARG 27 HG3 ARG 27 -21.562 -8.112 -10.808 112 HD2 ARG 27 HD2 ARG 27 -23.897 -8.401 -12.716 113 HD3 ARG 27 HD3 ARG 27 -22.522 -9.499 -12.697 114 HE ARG 27 HE ARG 27 -24.630 -9.302 -10.687 115 HH11 ARG 27 HH11 ARG 27 -21.200 -10.000 -10.683 116 HH12 ARG 27 HH12 ARG 27 -21.558 -11.660 -11.007 117 HH21 ARG 27 HH21 ARG 27 -24.174 -10.765 -8.725 118 HH22 ARG 27 HH22 ARG 27 -23.621 -12.231 -9.459 119 H VAL 28 H VAL 28 -23.885 -5.165 -8.359 120 HA VAL 28 HA VAL 28 -25.548 -3.145 -9.422 121 HB VAL 28 HB VAL 28 -26.268 -4.692 -7.681 122 HG11 VAL 28 HG11 VAL 28 -25.403 -4.820 -5.586 123 HG12 VAL 28 HG12 VAL 28 -24.955 -3.112 -5.531 124 HG13 VAL 28 HG13 VAL 28 -23.955 -4.258 -6.419 125 HG21 VAL 28 HG21 VAL 28 -27.861 -3.186 -7.252 126 HG22 VAL 28 HG22 VAL 28 -26.811 -1.906 -7.848 127 HG23 VAL 28 HG23 VAL 28 -26.795 -2.334 -6.139 128 H PHE 29 H PHE 29 -22.694 -3.083 -7.488 129 HA PHE 29 HA PHE 29 -22.713 -0.618 -6.384 130 HB2 PHE 29 HB2 PHE 29 -21.093 -2.217 -5.769 131 HB3 PHE 29 HB3 PHE 29 -20.450 -2.341 -7.398 132 HD1 PHE 29 HD1 PHE 29 -20.981 -0.098 -4.574 133 HD2 PHE 29 HD2 PHE 29 -18.342 -1.356 -7.636 134 HE1 PHE 29 HE1 PHE 29 -19.188 1.197 -3.574 135 HE2 PHE 29 HE2 PHE 29 -16.751 0.450 -6.998 136 HZ PHE 29 HZ PHE 29 -17.063 1.579 -4.804 137 HA PRO 30 HA PRO 30 -20.549 1.560 -10.146 138 HB2 PRO 30 HB2 PRO 30 -20.638 0.201 -12.543 139 HB3 PRO 30 HB3 PRO 30 -19.253 0.162 -11.436 140 HG2 PRO 30 HG2 PRO 30 -21.462 -1.807 -11.794 141 HG3 PRO 30 HG3 PRO 30 -19.729 -2.097 -11.587 142 HD2 PRO 30 HD2 PRO 30 -21.477 -2.371 -9.530 143 HD3 PRO 30 HD3 PRO 30 -19.817 -1.784 -9.280 144 H TYR 31 H TYR 31 -23.350 -0.525 -10.678 145 HA TYR 31 HA TYR 31 -24.654 1.197 -12.559 146 HB2 TYR 31 HB2 TYR 31 -25.742 -0.961 -10.754 147 HB3 TYR 31 HB3 TYR 31 -26.747 -0.025 -11.855 148 HD1 TYR 31 HD1 TYR 31 -25.943 0.139 -14.302 149 HD2 TYR 31 HD2 TYR 31 -25.510 -3.091 -11.643 150 HE1 TYR 31 HE1 TYR 31 -25.344 -1.308 -16.210 151 HE2 TYR 31 HE2 TYR 31 -24.932 -4.605 -13.514 152 HH TYR 31 HH TYR 31 -23.966 -4.350 -15.926 153 H SER 32 H SER 32 -24.848 0.780 -9.066 154 HA SER 32 HA SER 32 -25.481 3.554 -8.646 155 HB2 SER 32 HB2 SER 32 -27.630 1.671 -8.956 156 HB3 SER 32 HB3 SER 32 -27.606 2.260 -7.294 157 HG SER 32 HG SER 32 -27.636 3.812 -9.664 158 HA PRO 33 HA PRO 33 -23.208 2.178 -4.948 159 HB2 PRO 33 HB2 PRO 33 -23.775 5.065 -4.371 160 HB3 PRO 33 HB3 PRO 33 -22.268 4.159 -4.181 161 HG2 PRO 33 HG2 PRO 33 -22.589 5.833 -6.190 162 HG3 PRO 33 HG3 PRO 33 -21.803 4.269 -6.469 163 HD2 PRO 33 HD2 PRO 33 -24.611 5.113 -7.140 164 HD3 PRO 33 HD3 PRO 33 -23.484 4.113 -8.082 165 H GLU 34 H GLU 34 -26.158 4.146 -5.036 166 HA GLU 34 HA GLU 34 -27.052 3.707 -2.448 167 HB2 GLU 34 HB2 GLU 34 -28.633 4.085 -5.002 168 HB3 GLU 34 HB3 GLU 34 -29.343 4.142 -3.393 169 HG2 GLU 34 HG2 GLU 34 -27.904 6.020 -2.785 170 HG3 GLU 34 HG3 GLU 34 -27.105 5.953 -4.352 171 H LEU 35 H LEU 35 -27.609 1.733 -5.320 172 HA LEU 35 HA LEU 35 -29.413 -0.108 -4.062 173 HB2 LEU 35 HB2 LEU 35 -27.762 -0.257 -6.585 174 HB3 LEU 35 HB3 LEU 35 -28.817 -1.555 -6.032 175 HG LEU 35 HG LEU 35 -29.774 1.290 -6.475 176 HD11 LEU 35 HD11 LEU 35 -29.320 -0.898 -8.411 177 HD12 LEU 35 HD12 LEU 35 -29.460 0.841 -8.663 178 HD13 LEU 35 HD13 LEU 35 -30.913 -0.139 -8.488 179 HD21 LEU 35 HD21 LEU 35 -31.741 -0.796 -6.763 180 HD22 LEU 35 HD22 LEU 35 -31.710 0.574 -5.653 181 HD23 LEU 35 HD23 LEU 35 -30.931 -0.946 -5.204 182 H ALA 36 H ALA 36 -25.991 0.018 -4.708 183 HA ALA 36 HA ALA 36 -25.201 -2.480 -3.628 184 HB1 ALA 36 HB1 ALA 36 -23.288 -0.245 -3.420 185 HB2 ALA 36 HB2 ALA 36 -23.968 -0.514 -5.021 186 HB3 ALA 36 HB3 ALA 36 -23.130 -1.824 -4.192 187 H LYS 37 H LYS 37 -25.664 0.675 -2.273 188 HA LYS 37 HA LYS 37 -24.411 0.472 0.167 189 HB2 LYS 37 HB2 LYS 37 -25.336 2.516 -0.796 190 HB3 LYS 37 HB3 LYS 37 -26.970 1.891 -0.637 191 HG2 LYS 37 HG2 LYS 37 -26.528 3.493 1.129 192 HG3 LYS 37 HG3 LYS 37 -26.729 1.892 1.825 193 HD2 LYS 37 HD2 LYS 37 -24.420 1.662 2.231 194 HD3 LYS 37 HD3 LYS 37 -23.999 3.014 1.175 195 HE2 LYS 37 HE2 LYS 37 -24.395 4.539 2.807 196 HE3 LYS 37 HE3 LYS 37 -25.883 3.749 3.303 197 HZ1 LYS 37 HZ1 LYS 37 -23.445 2.344 3.995 198 HZ2 LYS 37 HZ2 LYS 37 -24.844 2.601 4.904 199 HZ3 LYS 37 HZ3 LYS 37 -23.677 3.822 4.790 200 H ARG 38 H ARG 38 -27.860 -0.233 -0.514 201 HA ARG 38 HA ARG 38 -28.393 -1.282 2.049 202 HB2 ARG 38 HB2 ARG 38 -29.722 -1.624 -0.642 203 HB3 ARG 38 HB3 ARG 38 -30.374 -2.324 0.848 204 HG2 ARG 38 HG2 ARG 38 -30.455 -0.140 1.910 205 HG3 ARG 38 HG3 ARG 38 -29.732 0.623 0.493 206 HD2 ARG 38 HD2 ARG 38 -32.353 -0.893 0.463 207 HD3 ARG 38 HD3 ARG 38 -32.222 0.858 0.618 208 HE ARG 38 HE ARG 38 -30.749 0.093 -1.652 209 HH11 ARG 38 HH11 ARG 38 -34.016 0.153 -0.527 210 HH12 ARG 38 HH12 ARG 38 -34.693 0.256 -2.118 211 HH21 ARG 38 HH21 ARG 38 -31.638 0.242 -3.710 212 HH22 ARG 38 HH22 ARG 38 -33.311 -0.141 -3.912 213 H TYR 39 H TYR 39 -27.428 -2.975 -0.954 214 HA TYR 39 HA TYR 39 -27.701 -5.534 0.079 215 HB2 TYR 39 HB2 TYR 39 -26.012 -4.503 -2.170 216 HB3 TYR 39 HB3 TYR 39 -25.964 -6.199 -1.686 217 HD1 TYR 39 HD1 TYR 39 -28.222 -7.411 -1.438 218 HD2 TYR 39 HD2 TYR 39 -27.669 -3.849 -3.753 219 HE1 TYR 39 HE1 TYR 39 -30.373 -7.823 -2.611 220 HE2 TYR 39 HE2 TYR 39 -29.922 -4.152 -4.765 221 HH TYR 39 HH TYR 39 -30.833 -6.933 -5.457 222 H VAL 40 H VAL 40 -24.743 -3.571 0.022 223 HA VAL 40 HA VAL 40 -23.142 -5.471 1.312 224 HB VAL 40 HB VAL 40 -22.863 -2.488 1.135 225 HG11 VAL 40 HG11 VAL 40 -21.596 -3.124 3.070 226 HG12 VAL 40 HG12 VAL 40 -20.420 -3.046 1.757 227 HG13 VAL 40 HG13 VAL 40 -21.031 -4.606 2.304 228 HG21 VAL 40 HG21 VAL 40 -21.831 -4.821 -0.445 229 HG22 VAL 40 HG22 VAL 40 -20.931 -3.309 -0.383 230 HG23 VAL 40 HG23 VAL 40 -22.571 -3.328 -1.012 231 H GLU 41 H GLU 41 -25.229 -2.976 2.761 232 HA GLU 41 HA GLU 41 -24.098 -3.204 5.405 233 HB2 GLU 41 HB2 GLU 41 -26.848 -2.330 4.500 234 HB3 GLU 41 HB3 GLU 41 -26.307 -2.297 6.174 235 HG2 GLU 41 HG2 GLU 41 -24.586 -0.651 5.620 236 HG3 GLU 41 HG3 GLU 41 -25.022 -0.728 3.915 237 H LEU 42 H LEU 42 -26.732 -4.653 3.633 238 HA LEU 42 HA LEU 42 -27.579 -6.593 5.423 239 HB2 LEU 42 HB2 LEU 42 -28.706 -6.164 3.335 240 HB3 LEU 42 HB3 LEU 42 -27.280 -6.580 2.408 241 HG LEU 42 HG LEU 42 -27.455 -8.913 3.194 242 HD11 LEU 42 HD11 LEU 42 -28.790 -8.232 5.299 243 HD12 LEU 42 HD12 LEU 42 -29.263 -9.715 4.483 244 HD13 LEU 42 HD13 LEU 42 -30.203 -8.242 4.250 245 HD21 LEU 42 HD21 LEU 42 -29.727 -9.284 1.913 246 HD22 LEU 42 HD22 LEU 42 -28.361 -8.551 1.072 247 HD23 LEU 42 HD23 LEU 42 -29.658 -7.534 1.688 248 H ALA 43 H ALA 43 -24.738 -6.621 3.280 249 HA ALA 43 HA ALA 43 -24.090 -9.368 3.744 250 HB1 ALA 43 HB1 ALA 43 -23.244 -8.091 1.786 251 HB2 ALA 43 HB2 ALA 43 -21.950 -8.852 2.704 252 HB3 ALA 43 HB3 ALA 43 -22.251 -7.127 2.872 253 H LEU 44 H LEU 44 -23.104 -6.328 5.300 254 HA LEU 44 HA LEU 44 -21.142 -7.443 7.007 255 HB2 LEU 44 HB2 LEU 44 -22.782 -4.932 7.086 256 HB3 LEU 44 HB3 LEU 44 -21.809 -5.381 8.477 257 HG LEU 44 HG LEU 44 -20.741 -3.808 6.756 258 HD11 LEU 44 HD11 LEU 44 -18.819 -5.968 6.934 259 HD12 LEU 44 HD12 LEU 44 -19.711 -5.774 8.441 260 HD13 LEU 44 HD13 LEU 44 -18.845 -4.403 7.751 261 HD21 LEU 44 HD21 LEU 44 -20.292 -6.389 5.245 262 HD22 LEU 44 HD22 LEU 44 -19.762 -4.769 4.791 263 HD23 LEU 44 HD23 LEU 44 -21.475 -5.169 4.775 264 H LEU 45 H LEU 45 -24.590 -6.860 7.492 265 HA LEU 45 HA LEU 45 -24.811 -7.882 10.118 266 HB2 LEU 45 HB2 LEU 45 -26.566 -6.525 9.019 267 HB3 LEU 45 HB3 LEU 45 -26.851 -7.829 7.878 268 HG LEU 45 HG LEU 45 -27.459 -9.319 9.779 269 HD11 LEU 45 HD11 LEU 45 -26.396 -8.471 11.674 270 HD12 LEU 45 HD12 LEU 45 -28.053 -7.936 11.937 271 HD13 LEU 45 HD13 LEU 45 -26.852 -6.807 11.317 272 HD21 LEU 45 HD21 LEU 45 -29.357 -8.467 8.740 273 HD22 LEU 45 HD22 LEU 45 -29.010 -6.805 9.212 274 HD23 LEU 45 HD23 LEU 45 -29.606 -7.953 10.404 275 H VAL 46 H VAL 46 -25.123 -9.326 6.932 276 HA VAL 46 HA VAL 46 -25.670 -11.971 7.680 277 HB VAL 46 HB VAL 46 -24.309 -10.795 5.251 278 HG11 VAL 46 HG11 VAL 46 -23.558 -12.965 5.036 279 HG12 VAL 46 HG12 VAL 46 -25.148 -13.111 4.291 280 HG13 VAL 46 HG13 VAL 46 -24.903 -13.640 5.955 281 HG21 VAL 46 HG21 VAL 46 -27.000 -12.087 5.207 282 HG22 VAL 46 HG22 VAL 46 -26.395 -10.707 4.293 283 HG23 VAL 46 HG23 VAL 46 -26.874 -10.508 5.976 284 H GLN 47 H GLN 47 -22.561 -10.293 7.208 285 HA GLN 47 HA GLN 47 -20.941 -12.600 7.240 286 HB2 GLN 47 HB2 GLN 47 -20.207 -10.376 6.416 287 HB3 GLN 47 HB3 GLN 47 -20.207 -9.780 8.074 288 HG2 GLN 47 HG2 GLN 47 -18.531 -11.504 8.680 289 HG3 GLN 47 HG3 GLN 47 -18.506 -12.046 7.004 290 HE21 GLN 47 HE21 GLN 47 -16.447 -11.360 6.363 291 HE22 GLN 47 HE22 GLN 47 -15.930 -9.745 6.402 292 H GLN 48 H GLN 48 -21.744 -10.319 9.896 293 HA GLN 48 HA GLN 48 -20.334 -11.678 11.878 294 HB2 GLN 48 HB2 GLN 48 -21.662 -10.452 13.482 295 HB3 GLN 48 HB3 GLN 48 -21.276 -9.400 12.123 296 HG2 GLN 48 HG2 GLN 48 -23.542 -9.884 11.172 297 HG3 GLN 48 HG3 GLN 48 -23.905 -10.828 12.613 298 HE21 GLN 48 HE21 GLN 48 -24.950 -9.677 14.215 299 HE22 GLN 48 HE22 GLN 48 -25.267 -8.031 14.013 300 H LYS 49 H LYS 49 -23.722 -12.035 10.915 301 HA LYS 49 HA LYS 49 -24.424 -14.080 12.718 302 HB2 LYS 49 HB2 LYS 49 -25.518 -13.304 10.005 303 HB3 LYS 49 HB3 LYS 49 -26.264 -14.512 11.051 304 HG2 LYS 49 HG2 LYS 49 -26.502 -12.850 12.839 305 HG3 LYS 49 HG3 LYS 49 -25.719 -11.633 11.840 306 HD2 LYS 49 HD2 LYS 49 -27.535 -11.818 10.178 307 HD3 LYS 49 HD3 LYS 49 -28.321 -13.041 11.173 308 HE2 LYS 49 HE2 LYS 49 -28.553 -11.423 13.003 309 HE3 LYS 49 HE3 LYS 49 -27.731 -10.199 12.046 310 HZ1 LYS 49 HZ1 LYS 49 -29.653 -10.960 10.361 311 HZ2 LYS 49 HZ2 LYS 49 -29.833 -9.677 11.457 312 HZ3 LYS 49 HZ3 LYS 49 -30.446 -11.211 11.841 313 H ALA 50 H ALA 50 -23.306 -14.282 9.360 314 HA ALA 50 HA ALA 50 -23.117 -17.129 9.323 315 HB1 ALA 50 HB1 ALA 50 -21.913 -14.986 7.570 316 HB2 ALA 50 HB2 ALA 50 -23.362 -15.949 7.265 317 HB3 ALA 50 HB3 ALA 50 -21.775 -16.719 7.258 318 H LYS 51 H LYS 51 -21.267 -14.756 10.839 319 HA LYS 51 HA LYS 51 -19.179 -14.687 11.777 320 HB2 LYS 51 HB2 LYS 51 -20.583 -16.738 12.793 321 HB3 LYS 51 HB3 LYS 51 -19.196 -17.627 12.164 322 HG2 LYS 51 HG2 LYS 51 -17.663 -16.214 13.420 323 HG3 LYS 51 HG3 LYS 51 -18.988 -15.180 13.948 324 HD2 LYS 51 HD2 LYS 51 -19.994 -17.070 15.174 325 HD3 LYS 51 HD3 LYS 51 -18.679 -18.118 14.643 326 HE2 LYS 51 HE2 LYS 51 -17.053 -16.697 15.796 327 HE3 LYS 51 HE3 LYS 51 -18.339 -15.603 16.304 328 HZ1 LYS 51 HZ1 LYS 51 -17.746 -17.191 18.044 329 HZ2 LYS 51 HZ2 LYS 51 -18.124 -18.485 17.012 330 HZ3 LYS 51 HZ3 LYS 51 -19.346 -17.429 17.531 331 H VAL 52 H VAL 52 -18.608 -14.431 9.265 332 HA VAL 52 HA VAL 52 -16.781 -16.633 8.455 333 HB VAL 52 HB VAL 52 -17.858 -14.584 6.537 334 HG11 VAL 52 HG11 VAL 52 -17.370 -17.445 5.861 335 HG12 VAL 52 HG12 VAL 52 -15.973 -16.422 6.193 336 HG13 VAL 52 HG13 VAL 52 -17.094 -15.990 4.906 337 HG21 VAL 52 HG21 VAL 52 -19.614 -16.396 5.966 338 HG22 VAL 52 HG22 VAL 52 -19.904 -15.332 7.343 339 HG23 VAL 52 HG23 VAL 52 -19.326 -16.977 7.607 340 H LYS 53 H LYS 53 -14.684 -16.082 8.464 341 HA LYS 53 HA LYS 53 -14.017 -13.259 8.848 342 HB2 LYS 53 HB2 LYS 53 -13.128 -14.959 10.413 343 HB3 LYS 53 HB3 LYS 53 -12.272 -15.727 9.078 344 HG2 LYS 53 HG2 LYS 53 -10.988 -13.668 8.703 345 HG3 LYS 53 HG3 LYS 53 -11.858 -12.864 10.008 346 HD2 LYS 53 HD2 LYS 53 -11.016 -14.542 11.613 347 HD3 LYS 53 HD3 LYS 53 -10.122 -15.335 10.317 348 HE2 LYS 53 HE2 LYS 53 -8.833 -13.277 9.936 349 HE3 LYS 53 HE3 LYS 53 -9.727 -12.474 11.226 350 HZ1 LYS 53 HZ1 LYS 53 -7.429 -13.945 11.523 351 HZ2 LYS 53 HZ2 LYS 53 -8.655 -14.964 12.100 352 HZ3 LYS 53 HZ3 LYS 53 -8.453 -13.413 12.764 353 H ILE 54 H ILE 54 -13.482 -12.071 7.200 354 HA ILE 54 HA ILE 54 -11.512 -13.096 5.273 355 HB ILE 54 HB ILE 54 -12.721 -11.947 3.440 356 HG12 ILE 54 HG12 ILE 54 -14.462 -11.121 5.699 357 HG13 ILE 54 HG13 ILE 54 -14.057 -10.275 4.215 358 HG21 ILE 54 HG21 ILE 54 -14.340 -13.665 3.103 359 HG22 ILE 54 HG22 ILE 54 -14.570 -13.895 4.834 360 HG23 ILE 54 HG23 ILE 54 -13.062 -14.394 4.071 361 HD11 ILE 54 HD11 ILE 54 -15.620 -11.789 2.982 362 HD12 ILE 54 HD12 ILE 54 -16.407 -10.798 4.203 363 HD13 ILE 54 HD13 ILE 54 -16.087 -12.495 4.528 364 HA PRO 55 HA PRO 55 -9.941 -9.228 7.063 365 HB2 PRO 55 HB2 PRO 55 -7.341 -9.576 6.223 366 HB3 PRO 55 HB3 PRO 55 -8.001 -10.255 7.717 367 HG2 PRO 55 HG2 PRO 55 -7.427 -11.559 5.131 368 HG3 PRO 55 HG3 PRO 55 -7.397 -12.226 6.768 369 HD2 PRO 55 HD2 PRO 55 -9.435 -12.637 4.906 370 HD3 PRO 55 HD3 PRO 55 -9.576 -12.893 6.656 371 H ARG 56 H ARG 56 -10.099 -10.302 3.828 372 HA ARG 56 HA ARG 56 -9.138 -7.694 2.825 373 HB2 ARG 56 HB2 ARG 56 -8.672 -10.428 1.627 374 HB3 ARG 56 HB3 ARG 56 -8.328 -8.910 0.797 375 HG2 ARG 56 HG2 ARG 56 -6.795 -8.228 2.553 376 HG3 ARG 56 HG3 ARG 56 -7.192 -9.647 3.508 377 HD2 ARG 56 HD2 ARG 56 -5.068 -10.014 2.402 378 HD3 ARG 56 HD3 ARG 56 -6.262 -11.079 1.687 379 HE ARG 56 HE ARG 56 -6.289 -9.746 -0.264 380 HH11 ARG 56 HH11 ARG 56 -4.517 -8.160 2.199 381 HH12 ARG 56 HH12 ARG 56 -3.535 -7.251 1.111 382 HH21 ARG 56 HH21 ARG 56 -4.565 -8.905 -1.681 383 HH22 ARG 56 HH22 ARG 56 -3.822 -7.450 -1.106 384 H LYS 57 H LYS 57 -11.407 -10.387 2.110 385 HA LYS 57 HA LYS 57 -12.147 -9.396 -0.371 386 HB2 LYS 57 HB2 LYS 57 -13.781 -11.053 1.554 387 HB3 LYS 57 HB3 LYS 57 -14.264 -10.720 -0.103 388 HG2 LYS 57 HG2 LYS 57 -12.270 -11.843 -0.949 389 HG3 LYS 57 HG3 LYS 57 -11.721 -12.173 0.692 390 HD2 LYS 57 HD2 LYS 57 -13.765 -13.515 1.095 391 HD3 LYS 57 HD3 LYS 57 -14.363 -13.093 -0.504 392 HE2 LYS 57 HE2 LYS 57 -13.389 -15.327 -0.564 393 HE3 LYS 57 HE3 LYS 57 -12.395 -14.218 -1.503 394 HZ1 LYS 57 HZ1 LYS 57 -10.831 -14.057 0.234 395 HZ2 LYS 57 HZ2 LYS 57 -11.152 -15.714 0.076 396 HZ3 LYS 57 HZ3 LYS 57 -11.849 -14.832 1.344 397 H TRP 58 H TRP 58 -13.865 -8.823 2.714 398 HA TRP 58 HA TRP 58 -15.342 -6.661 1.339 399 HB2 TRP 58 HB2 TRP 58 -16.129 -8.625 3.370 400 HB3 TRP 58 HB3 TRP 58 -16.590 -6.978 3.777 401 HD1 TRP 58 HD1 TRP 58 -17.691 -9.856 1.798 402 HE1 TRP 58 HE1 TRP 58 -19.713 -9.166 0.339 403 HE3 TRP 58 HE3 TRP 58 -16.737 -4.925 1.492 404 HZ2 TRP 58 HZ2 TRP 58 -20.305 -6.851 -1.354 405 HZ3 TRP 58 HZ3 TRP 58 -17.750 -3.586 -0.295 406 HH2 TRP 58 HH2 TRP 58 -19.434 -4.577 -1.811 407 H LYS 59 H LYS 59 -13.320 -7.496 4.027 408 HA LYS 59 HA LYS 59 -13.609 -5.179 5.551 409 HB2 LYS 59 HB2 LYS 59 -11.307 -7.133 5.376 410 HB3 LYS 59 HB3 LYS 59 -11.437 -5.881 6.605 411 HG2 LYS 59 HG2 LYS 59 -13.536 -8.013 6.129 412 HG3 LYS 59 HG3 LYS 59 -12.275 -8.138 7.351 413 HD2 LYS 59 HD2 LYS 59 -13.116 -6.052 8.400 414 HD3 LYS 59 HD3 LYS 59 -14.382 -5.964 7.178 415 HE2 LYS 59 HE2 LYS 59 -15.293 -8.113 7.929 416 HE3 LYS 59 HE3 LYS 59 -14.005 -8.267 9.116 417 HZ1 LYS 59 HZ1 LYS 59 -16.363 -6.557 9.121 418 HZ2 LYS 59 HZ2 LYS 59 -14.950 -5.900 9.789 419 HZ3 LYS 59 HZ3 LYS 59 -15.598 -7.338 10.412 420 H ARG 60 H ARG 60 -11.467 -5.854 2.890 421 HA ARG 60 HA ARG 60 -10.083 -3.275 3.240 422 HB2 ARG 60 HB2 ARG 60 -9.492 -5.669 1.489 423 HB3 ARG 60 HB3 ARG 60 -8.553 -4.179 1.479 424 HG2 ARG 60 HG2 ARG 60 -9.052 -5.873 3.946 425 HG3 ARG 60 HG3 ARG 60 -7.601 -6.006 2.956 426 HD2 ARG 60 HD2 ARG 60 -7.023 -3.690 3.443 427 HD3 ARG 60 HD3 ARG 60 -8.525 -3.468 4.330 428 HE ARG 60 HE ARG 60 -6.302 -5.231 5.171 429 HH11 ARG 60 HH11 ARG 60 -9.456 -3.960 5.795 430 HH12 ARG 60 HH12 ARG 60 -9.216 -3.867 7.510 431 HH21 ARG 60 HH21 ARG 60 -6.060 -5.221 7.450 432 HH22 ARG 60 HH22 ARG 60 -7.475 -4.976 8.411 433 H ARG 61 H ARG 61 -12.832 -4.345 1.788 434 HA ARG 61 HA ARG 61 -12.434 -2.643 -0.590 435 HB2 ARG 61 HB2 ARG 61 -13.818 -5.324 -0.501 436 HB3 ARG 61 HB3 ARG 61 -13.980 -4.175 -1.831 437 HG2 ARG 61 HG2 ARG 61 -11.552 -4.175 -2.168 438 HG3 ARG 61 HG3 ARG 61 -11.346 -5.286 -0.817 439 HD2 ARG 61 HD2 ARG 61 -12.676 -6.983 -2.042 440 HD3 ARG 61 HD3 ARG 61 -12.843 -5.861 -3.390 441 HE ARG 61 HE ARG 61 -10.100 -6.224 -2.664 442 HH11 ARG 61 HH11 ARG 61 -12.676 -7.957 -4.181 443 HH12 ARG 61 HH12 ARG 61 -11.626 -8.758 -5.299 444 HH21 ARG 61 HH21 ARG 61 -8.780 -7.524 -3.950 445 HH22 ARG 61 HH22 ARG 61 -9.428 -8.111 -5.444 446 H TYR 62 H TYR 62 -13.530 -1.797 1.911 447 HA TYR 62 HA TYR 62 -16.181 -1.024 0.917 448 HB2 TYR 62 HB2 TYR 62 -17.399 -1.751 2.740 449 HB3 TYR 62 HB3 TYR 62 -16.258 -3.066 2.511 450 HD1 TYR 62 HD1 TYR 62 -13.938 -2.756 3.845 451 HD2 TYR 62 HD2 TYR 62 -17.818 -1.351 4.938 452 HE1 TYR 62 HE1 TYR 62 -13.142 -2.194 6.106 453 HE2 TYR 62 HE2 TYR 62 -17.149 -1.359 7.323 454 HH TYR 62 HH TYR 62 -14.624 -2.765 8.519 455 H CYS 63 H CYS 63 -17.066 0.867 1.879 456 HA CYS 63 HA CYS 63 -15.209 2.671 3.166 457 HB2 CYS 63 HB2 CYS 63 -16.784 3.612 1.600 458 HB3 CYS 63 HB3 CYS 63 -18.141 2.958 2.511 459 H LYS 64 H LYS 64 -15.376 3.572 5.144 460 HA LYS 64 HA LYS 64 -16.022 1.882 7.320 461 HB2 LYS 64 HB2 LYS 64 -15.500 4.858 7.156 462 HB3 LYS 64 HB3 LYS 64 -15.666 3.974 8.672 463 HG2 LYS 64 HG2 LYS 64 -13.747 2.537 8.020 464 HG3 LYS 64 HG3 LYS 64 -13.592 3.443 6.516 465 HD2 LYS 64 HD2 LYS 64 -13.198 5.522 7.801 466 HD3 LYS 64 HD3 LYS 64 -13.351 4.614 9.303 467 HE2 LYS 64 HE2 LYS 64 -11.431 3.234 8.696 468 HE3 LYS 64 HE3 LYS 64 -11.277 4.086 7.163 469 HZ1 LYS 64 HZ1 LYS 64 -9.778 4.873 9.015 470 HZ2 LYS 64 HZ2 LYS 64 -11.165 5.472 9.788 471 HZ3 LYS 64 HZ3 LYS 64 -10.708 6.076 8.271 472 H LYS 65 H LYS 65 -17.685 4.652 5.835 473 HA LYS 65 HA LYS 65 -20.018 4.015 7.492 474 HB2 LYS 65 HB2 LYS 65 -19.347 6.325 7.717 475 HB3 LYS 65 HB3 LYS 65 -19.553 6.581 5.987 476 HG2 LYS 65 HG2 LYS 65 -21.939 5.962 6.195 477 HG3 LYS 65 HG3 LYS 65 -21.725 5.631 7.908 478 HD2 LYS 65 HD2 LYS 65 -21.172 8.001 8.296 479 HD3 LYS 65 HD3 LYS 65 -21.427 8.349 6.587 480 HE2 LYS 65 HE2 LYS 65 -23.495 7.225 8.494 481 HE3 LYS 65 HE3 LYS 65 -23.452 8.874 7.888 482 HZ1 LYS 65 HZ1 LYS 65 -24.733 8.097 6.244 483 HZ2 LYS 65 HZ2 LYS 65 -24.398 6.479 6.635 484 HZ3 LYS 65 HZ3 LYS 65 -23.333 7.346 5.639 485 H CYS 66 H CYS 66 -19.083 3.727 4.057 486 HA CYS 66 HA CYS 66 -21.868 4.136 3.203 487 HB2 CYS 66 HB2 CYS 66 -19.837 2.554 1.633 488 HB3 CYS 66 HB3 CYS 66 -21.379 3.150 1.089 489 H HIS 67 H HIS 67 -19.717 1.652 4.331 490 HA HIS 67 HA HIS 67 -19.865 -0.644 4.374 491 HB2 HIS 67 HB2 HIS 67 -22.798 0.099 4.501 492 HB3 HIS 67 HB3 HIS 67 -22.176 -1.511 4.845 493 HD1 HIS 67 HD1 HIS 67 -20.132 -1.440 6.786 494 HD2 HIS 67 HD2 HIS 67 -22.909 1.696 6.748 495 HE1 HIS 67 HE1 HIS 67 -19.591 0.063 8.765 496 HE2 HIS 67 HE2 HIS 67 -21.516 1.721 8.955 497 H ALA 68 H ALA 68 -19.432 0.553 2.001 498 HA ALA 68 HA ALA 68 -20.968 -0.991 0.015 499 HB1 ALA 68 HB1 ALA 68 -20.101 1.872 -0.426 500 HB2 ALA 68 HB2 ALA 68 -21.738 1.415 0.049 501 HB3 ALA 68 HB3 ALA 68 -21.085 0.874 -1.489 502 H PHE 69 H PHE 69 -19.719 -1.168 -2.065 503 HA PHE 69 HA PHE 69 -17.115 -2.195 -1.475 504 HB2 PHE 69 HB2 PHE 69 -18.809 -2.777 -3.431 505 HB3 PHE 69 HB3 PHE 69 -17.948 -1.487 -4.263 506 HD1 PHE 69 HD1 PHE 69 -15.413 -1.569 -4.288 507 HD2 PHE 69 HD2 PHE 69 -18.088 -4.801 -4.234 508 HE1 PHE 69 HE1 PHE 69 -13.454 -3.142 -4.509 509 HE2 PHE 69 HE2 PHE 69 -16.401 -6.114 -5.468 510 HZ PHE 69 HZ PHE 69 -14.085 -5.228 -5.714 511 H LEU 70 H LEU 70 -15.188 -1.092 -1.449 512 HA LEU 70 HA LEU 70 -15.329 1.735 -2.261 513 HB2 LEU 70 HB2 LEU 70 -14.593 0.866 0.049 514 HB3 LEU 70 HB3 LEU 70 -13.096 0.395 -0.736 515 HG LEU 70 HG LEU 70 -12.817 2.564 0.299 516 HD11 LEU 70 HD11 LEU 70 -12.054 3.908 -1.505 517 HD12 LEU 70 HD12 LEU 70 -13.138 3.125 -2.653 518 HD13 LEU 70 HD13 LEU 70 -11.780 2.231 -1.963 519 HD21 LEU 70 HD21 LEU 70 -14.550 3.982 0.505 520 HD22 LEU 70 HD22 LEU 70 -15.538 2.880 -0.447 521 HD23 LEU 70 HD23 LEU 70 -14.645 4.171 -1.243 522 H VAL 71 H VAL 71 -15.025 1.801 -4.342 523 HA VAL 71 HA VAL 71 -12.264 1.442 -5.261 524 HB VAL 71 HB VAL 71 -14.774 0.709 -6.788 525 HG11 VAL 71 HG11 VAL 71 -13.158 0.252 -8.696 526 HG12 VAL 71 HG12 VAL 71 -11.964 1.191 -7.797 527 HG13 VAL 71 HG13 VAL 71 -13.461 1.951 -8.346 528 HG21 VAL 71 HG21 VAL 71 -13.914 -1.483 -6.837 529 HG22 VAL 71 HG22 VAL 71 -13.472 -0.933 -5.220 530 HG23 VAL 71 HG23 VAL 71 -12.269 -0.936 -6.506 531 HA PRO 72 HA PRO 72 -13.164 5.796 -6.009 532 HB2 PRO 72 HB2 PRO 72 -10.800 5.767 -7.793 533 HB3 PRO 72 HB3 PRO 72 -11.134 6.769 -6.370 534 HG2 PRO 72 HG2 PRO 72 -9.328 4.769 -6.358 535 HG3 PRO 72 HG3 PRO 72 -10.246 5.256 -4.925 536 HD2 PRO 72 HD2 PRO 72 -10.612 2.859 -6.688 537 HD3 PRO 72 HD3 PRO 72 -10.899 3.033 -4.943 538 H GLY 73 H GLY 73 -14.299 6.831 -7.483 539 HA2 GLY 73 HA2 GLY 73 -14.795 7.607 -9.686 540 HA3 GLY 73 HA3 GLY 73 -14.250 6.062 -10.322 541 H ILE 74 H ILE 74 -16.027 5.053 -7.789 542 HA ILE 74 HA ILE 74 -18.282 4.618 -9.652 543 HB ILE 74 HB ILE 74 -17.051 2.762 -7.612 544 HG12 ILE 74 HG12 ILE 74 -17.432 2.471 -10.604 545 HG13 ILE 74 HG13 ILE 74 -15.957 3.088 -9.865 546 HG21 ILE 74 HG21 ILE 74 -19.221 2.060 -7.385 547 HG22 ILE 74 HG22 ILE 74 -18.901 1.256 -8.922 548 HG23 ILE 74 HG23 ILE 74 -19.728 2.819 -8.890 549 HD11 ILE 74 HD11 ILE 74 -17.120 0.388 -9.155 550 HD12 ILE 74 HD12 ILE 74 -15.508 1.009 -8.785 551 HD13 ILE 74 HD13 ILE 74 -15.947 0.621 -10.446 552 H ASN 75 H ASN 75 -17.961 3.925 -6.182 553 HA ASN 75 HA ASN 75 -20.443 5.427 -5.641 554 HB2 ASN 75 HB2 ASN 75 -20.412 4.377 -3.463 555 HB3 ASN 75 HB3 ASN 75 -20.226 3.139 -4.699 556 HD21 ASN 75 HD21 ASN 75 -19.351 3.153 -1.815 557 HD22 ASN 75 HD22 ASN 75 -17.845 2.399 -2.035 558 H ALA 76 H ALA 76 -17.271 5.991 -5.786 559 HA ALA 76 HA ALA 76 -17.154 8.151 -3.889 560 HB1 ALA 76 HB1 ALA 76 -15.543 7.216 -2.406 561 HB2 ALA 76 HB2 ALA 76 -15.236 5.854 -3.473 562 HB3 ALA 76 HB3 ALA 76 -16.748 5.942 -2.580 563 H ARG 77 H ARG 77 -15.323 9.427 -4.313 564 HA ARG 77 HA ARG 77 -13.783 8.671 -6.719 565 HB2 ARG 77 HB2 ARG 77 -15.716 10.223 -7.131 566 HB3 ARG 77 HB3 ARG 77 -14.894 11.414 -6.131 567 HG2 ARG 77 HG2 ARG 77 -12.923 11.306 -7.627 568 HG3 ARG 77 HG3 ARG 77 -13.758 10.131 -8.641 569 HD2 ARG 77 HD2 ARG 77 -14.761 12.947 -8.085 570 HD3 ARG 77 HD3 ARG 77 -13.888 12.450 -9.531 571 HE ARG 77 HE ARG 77 -16.647 11.846 -8.870 572 HH11 ARG 77 HH11 ARG 77 -13.893 10.533 -10.555 573 HH12 ARG 77 HH12 ARG 77 -14.761 10.386 -12.042 574 HH21 ARG 77 HH21 ARG 77 -17.826 10.878 -10.534 575 HH22 ARG 77 HH22 ARG 77 -16.987 9.823 -11.617 576 H VAL 78 H VAL 78 -11.694 9.438 -6.848 577 HA VAL 78 HA VAL 78 -10.604 10.568 -4.355 578 HB VAL 78 HB VAL 78 -10.209 8.075 -4.557 579 HG11 VAL 78 HG11 VAL 78 -8.720 7.222 -6.195 580 HG12 VAL 78 HG12 VAL 78 -8.191 8.828 -6.678 581 HG13 VAL 78 HG13 VAL 78 -9.802 8.267 -7.110 582 HG21 VAL 78 HG21 VAL 78 -7.630 9.619 -4.658 583 HG22 VAL 78 HG22 VAL 78 -8.072 8.242 -3.644 584 HG23 VAL 78 HG23 VAL 78 -8.770 9.832 -3.329 585 H ARG 79 H ARG 79 -9.362 12.242 -4.674 586 HA ARG 79 HA ARG 79 -8.290 12.825 -7.376 587 HB2 ARG 79 HB2 ARG 79 -8.570 14.626 -4.952 588 HB3 ARG 79 HB3 ARG 79 -7.819 15.083 -6.480 589 HG2 ARG 79 HG2 ARG 79 -9.921 14.697 -7.676 590 HG3 ARG 79 HG3 ARG 79 -10.699 14.178 -6.185 591 HD2 ARG 79 HD2 ARG 79 -9.483 16.924 -6.592 592 HD3 ARG 79 HD3 ARG 79 -11.186 16.564 -6.833 593 HE ARG 79 HE ARG 79 -10.272 15.729 -4.246 594 HH11 ARG 79 HH11 ARG 79 -11.256 18.433 -6.121 595 HH12 ARG 79 HH12 ARG 79 -11.626 19.429 -4.749 596 HH21 ARG 79 HH21 ARG 79 -10.672 17.072 -2.426 597 HH22 ARG 79 HH22 ARG 79 -11.736 18.403 -2.727 598 H LEU 80 H LEU 80 -6.089 12.882 -7.610 599 HA LEU 80 HA LEU 80 -4.495 12.056 -5.247 600 HB2 LEU 80 HB2 LEU 80 -3.864 11.608 -8.189 601 HB3 LEU 80 HB3 LEU 80 -2.943 11.006 -6.812 602 HG LEU 80 HG LEU 80 -5.246 9.915 -6.126 603 HD11 LEU 80 HD11 LEU 80 -6.883 10.376 -7.583 604 HD12 LEU 80 HD12 LEU 80 -6.117 9.196 -8.643 605 HD13 LEU 80 HD13 LEU 80 -5.769 10.912 -8.837 606 HD21 LEU 80 HD21 LEU 80 -4.663 7.929 -7.643 607 HD22 LEU 80 HD22 LEU 80 -3.407 8.495 -6.549 608 HD23 LEU 80 HD23 LEU 80 -3.349 8.928 -8.259 609 H ARG 81 H ARG 81 -3.190 13.631 -4.571 610 HA ARG 81 HA ARG 81 -2.808 15.968 -6.339 611 HB2 ARG 81 HB2 ARG 81 -2.821 15.798 -3.324 612 HB3 ARG 81 HB3 ARG 81 -2.419 17.254 -4.232 613 HG2 ARG 81 HG2 ARG 81 -4.645 17.204 -5.300 614 HG3 ARG 81 HG3 ARG 81 -5.020 15.702 -4.463 615 HD2 ARG 81 HD2 ARG 81 -6.084 17.522 -3.296 616 HD3 ARG 81 HD3 ARG 81 -4.778 16.916 -2.289 617 HE ARG 81 HE ARG 81 -3.832 19.053 -3.904 618 HH11 ARG 81 HH11 ARG 81 -5.965 18.482 -1.233 619 HH12 ARG 81 HH12 ARG 81 -5.430 19.861 -0.363 620 HH21 ARG 81 HH21 ARG 81 -4.126 21.240 -3.185 621 HH22 ARG 81 HH22 ARG 81 -4.168 21.426 -1.467 622 H GLN 82 H GLN 82 -0.826 16.630 -6.870 623 HA GLN 82 HA GLN 82 1.417 15.017 -5.835 624 HB2 GLN 82 HB2 GLN 82 0.978 16.348 -8.509 625 HB3 GLN 82 HB3 GLN 82 2.499 15.600 -8.015 626 HG2 GLN 82 HG2 GLN 82 1.366 13.451 -7.682 627 HG3 GLN 82 HG3 GLN 82 -0.186 14.181 -8.073 628 HE21 GLN 82 HE21 GLN 82 2.219 12.313 -9.433 629 HE22 GLN 82 HE22 GLN 82 1.799 12.593 -11.055 630 H LYS 83 H LYS 83 2.080 16.060 -4.241 631 HA LYS 83 HA LYS 83 3.696 18.494 -4.658 632 HB2 LYS 83 HB2 LYS 83 2.039 17.739 -2.218 633 HB3 LYS 83 HB3 LYS 83 3.236 19.033 -2.249 634 HG2 LYS 83 HG2 LYS 83 1.970 20.174 -4.023 635 HG3 LYS 83 HG3 LYS 83 0.798 18.860 -4.042 636 HD2 LYS 83 HD2 LYS 83 0.264 19.325 -1.658 637 HD3 LYS 83 HD3 LYS 83 1.384 20.686 -1.688 638 HE2 LYS 83 HE2 LYS 83 -0.985 20.379 -3.544 639 HE3 LYS 83 HE3 LYS 83 -1.015 21.333 -2.063 640 HZ1 LYS 83 HZ1 LYS 83 -0.086 22.098 -4.592 641 HZ2 LYS 83 HZ2 LYS 83 1.256 22.041 -3.562 642 HZ3 LYS 83 HZ3 LYS 83 -0.074 23.014 -3.164 643 H ARG 84 H ARG 84 5.513 18.276 -2.681 644 HA ARG 84 HA ARG 84 6.423 15.436 -2.908 645 HB2 ARG 84 HB2 ARG 84 7.617 17.987 -1.731 646 HB3 ARG 84 HB3 ARG 84 8.422 16.422 -1.730 647 HG2 ARG 84 HG2 ARG 84 8.510 16.448 -4.201 648 HG3 ARG 84 HG3 ARG 84 7.630 17.978 -4.211 649 HD2 ARG 84 HD2 ARG 84 9.436 19.034 -2.920 650 HD3 ARG 84 HD3 ARG 84 10.328 17.520 -2.917 651 HE ARG 84 HE ARG 84 9.819 18.137 -5.592 652 HH11 ARG 84 HH11 ARG 84 11.527 19.509 -2.911 653 HH12 ARG 84 HH12 ARG 84 12.582 20.440 -3.909 654 HH21 ARG 84 HH21 ARG 84 10.898 19.697 -6.797 655 HH22 ARG 84 HH22 ARG 84 12.188 20.594 -6.085 656 H MET 85 H MET 85 4.031 16.057 -1.618 657 HA MET 85 HA MET 85 4.703 14.230 0.528 658 HB2 MET 85 HB2 MET 85 2.654 16.464 0.780 659 HB3 MET 85 HB3 MET 85 2.871 15.165 1.947 660 HG2 MET 85 HG2 MET 85 4.139 16.874 2.926 661 HG3 MET 85 HG3 MET 85 5.375 16.057 1.973 662 HE1 MET 85 HE1 MET 85 6.287 18.517 2.777 663 HE2 MET 85 HE2 MET 85 4.782 19.405 3.022 664 HE3 MET 85 HE3 MET 85 5.982 20.004 1.878 665 HA PRO 86 HA PRO 86 1.562 12.700 -2.474 666 HB2 PRO 86 HB2 PRO 86 1.557 10.218 -0.844 667 HB3 PRO 86 HB3 PRO 86 1.784 10.410 -2.586 668 HG2 PRO 86 HG2 PRO 86 3.815 9.787 -0.945 669 HG3 PRO 86 HG3 PRO 86 4.042 10.788 -2.384 670 HD2 PRO 86 HD2 PRO 86 3.948 11.619 0.492 671 HD3 PRO 86 HD3 PRO 86 4.896 12.298 -0.851 672 H HIS 87 H HIS 87 -0.582 13.045 -2.298 673 HA HIS 87 HA HIS 87 -2.023 12.340 0.163 674 HB2 HIS 87 HB2 HIS 87 -1.792 15.057 -1.085 675 HB3 HIS 87 HB3 HIS 87 -3.292 14.603 -0.280 676 HD1 HIS 87 HD1 HIS 87 -3.302 14.323 2.241 677 HD2 HIS 87 HD2 HIS 87 0.558 14.845 0.727 678 HE1 HIS 87 HE1 HIS 87 -1.804 14.999 4.201 679 HE2 HIS 87 HE2 HIS 87 0.566 14.532 3.324 680 H ILE 88 H ILE 88 -4.039 11.505 -0.211 681 HA ILE 88 HA ILE 88 -5.331 12.152 -2.776 682 HB ILE 88 HB ILE 88 -6.286 9.909 -2.910 683 HG12 ILE 88 HG12 ILE 88 -4.506 9.202 -0.551 684 HG13 ILE 88 HG13 ILE 88 -6.248 9.441 -0.449 685 HG21 ILE 88 HG21 ILE 88 -3.316 9.567 -2.497 686 HG22 ILE 88 HG22 ILE 88 -3.923 10.585 -3.801 687 HG23 ILE 88 HG23 ILE 88 -4.334 8.871 -3.758 688 HD11 ILE 88 HD11 ILE 88 -5.902 7.676 -2.603 689 HD12 ILE 88 HD12 ILE 88 -6.543 7.306 -1.005 690 HD13 ILE 88 HD13 ILE 88 -4.828 7.081 -1.339 691 H VAL 89 H VAL 89 -7.565 12.486 -2.683 692 HA VAL 89 HA VAL 89 -8.746 12.459 0.025 693 HB VAL 89 HB VAL 89 -10.161 14.412 -0.733 694 HG11 VAL 89 HG11 VAL 89 -8.081 16.012 -0.536 695 HG12 VAL 89 HG12 VAL 89 -7.207 14.520 -0.205 696 HG13 VAL 89 HG13 VAL 89 -8.546 15.005 0.833 697 HG21 VAL 89 HG21 VAL 89 -9.178 15.817 -2.523 698 HG22 VAL 89 HG22 VAL 89 -9.738 14.265 -3.148 699 HG23 VAL 89 HG23 VAL 89 -8.015 14.540 -2.874 700 H VAL 90 H VAL 90 -10.711 11.614 0.253 701 HA VAL 90 HA VAL 90 -11.864 10.196 -2.077 702 HB VAL 90 HB VAL 90 -11.183 9.144 0.682 703 HG11 VAL 90 HG11 VAL 90 -13.220 8.095 0.442 704 HG12 VAL 90 HG12 VAL 90 -12.226 6.974 -0.476 705 HG13 VAL 90 HG13 VAL 90 -13.189 8.190 -1.316 706 HG21 VAL 90 HG21 VAL 90 -10.184 7.308 -0.911 707 HG22 VAL 90 HG22 VAL 90 -9.304 8.803 -0.605 708 HG23 VAL 90 HG23 VAL 90 -10.216 8.611 -2.098 709 H LYS 91 H LYS 91 -13.971 10.415 -2.237 710 HA LYS 91 HA LYS 91 -15.554 11.051 0.135 711 HB2 LYS 91 HB2 LYS 91 -17.064 12.444 -1.432 712 HB3 LYS 91 HB3 LYS 91 -15.646 13.201 -0.744 713 HG2 LYS 91 HG2 LYS 91 -15.787 12.045 -3.536 714 HG3 LYS 91 HG3 LYS 91 -16.021 13.740 -3.149 715 HD2 LYS 91 HD2 LYS 91 -13.729 13.860 -2.251 716 HD3 LYS 91 HD3 LYS 91 -13.454 12.178 -2.670 717 HE2 LYS 91 HE2 LYS 91 -13.836 12.725 -5.054 718 HE3 LYS 91 HE3 LYS 91 -14.061 14.413 -4.601 719 HZ1 LYS 91 HZ1 LYS 91 -11.867 14.700 -4.446 720 HZ2 LYS 91 HZ2 LYS 91 -11.677 13.174 -5.156 721 HZ3 LYS 91 HZ3 LYS 91 -11.679 13.324 -3.472 722 H CYS 92 H CYS 92 -17.505 10.041 0.200 723 HA CYS 92 HA CYS 92 -18.116 8.203 -2.043 724 HB2 CYS 92 HB2 CYS 92 -19.559 7.186 0.016 725 HB3 CYS 92 HB3 CYS 92 -17.974 6.599 -0.464 726 H LEU 93 H LEU 93 -20.093 8.334 -2.908 727 HA LEU 93 HA LEU 93 -21.771 10.571 -2.422 728 HB2 LEU 93 HB2 LEU 93 -22.122 8.045 -4.039 729 HB3 LEU 93 HB3 LEU 93 -23.333 9.327 -3.991 730 HG LEU 93 HG LEU 93 -20.417 9.805 -4.685 731 HD11 LEU 93 HD11 LEU 93 -21.296 8.370 -6.414 732 HD12 LEU 93 HD12 LEU 93 -21.231 10.013 -7.051 733 HD13 LEU 93 HD13 LEU 93 -22.773 9.328 -6.535 734 HD21 LEU 93 HD21 LEU 93 -21.838 11.807 -5.840 735 HD22 LEU 93 HD22 LEU 93 -21.109 11.897 -4.239 736 HD23 LEU 93 HD23 LEU 93 -22.818 11.500 -4.403 737 H GLU 94 H GLU 94 -22.045 7.143 -1.510 738 HA GLU 94 HA GLU 94 -24.581 7.317 -0.418 739 HB2 GLU 94 HB2 GLU 94 -22.309 5.476 0.370 740 HB3 GLU 94 HB3 GLU 94 -23.984 5.268 0.878 741 HG2 GLU 94 HG2 GLU 94 -23.028 5.353 -2.003 742 HG3 GLU 94 HG3 GLU 94 -23.451 3.892 -1.117 743 H CYS 95 H CYS 95 -21.488 7.792 1.250 744 HA CYS 95 HA CYS 95 -22.781 8.549 3.749 745 HB2 CYS 95 HB2 CYS 95 -19.890 8.802 2.926 746 HB3 CYS 95 HB3 CYS 95 -20.542 9.045 4.545 747 H GLY 96 H GLY 96 -21.538 10.071 0.874 748 HA2 GLY 96 HA2 GLY 96 -21.924 12.212 0.071 749 HA3 GLY 96 HA3 GLY 96 -22.818 12.576 1.539 750 H HIS 97 H HIS 97 -19.608 11.237 1.859 751 HA HIS 97 HA HIS 97 -18.845 13.777 3.141 752 HB2 HIS 97 HB2 HIS 97 -18.642 11.036 4.394 753 HB3 HIS 97 HB3 HIS 97 -17.905 12.499 5.043 754 HD1 HIS 97 HD1 HIS 97 -19.878 14.619 5.002 755 HD2 HIS 97 HD2 HIS 97 -20.778 10.763 6.208 756 HE1 HIS 97 HE1 HIS 97 -22.216 14.680 6.001 757 HE2 HIS 97 HE2 HIS 97 -22.987 12.259 6.105 758 H ILE 98 H ILE 98 -16.687 14.205 3.327 759 HA ILE 98 HA ILE 98 -14.996 12.769 1.385 760 HB ILE 98 HB ILE 98 -15.491 14.945 0.577 761 HG12 ILE 98 HG12 ILE 98 -13.357 16.012 0.435 762 HG13 ILE 98 HG13 ILE 98 -12.779 15.211 1.888 763 HG21 ILE 98 HG21 ILE 98 -14.782 16.939 2.142 764 HG22 ILE 98 HG22 ILE 98 -15.009 15.753 3.424 765 HG23 ILE 98 HG23 ILE 98 -16.347 16.158 2.361 766 HD11 ILE 98 HD11 ILE 98 -12.431 14.345 -0.735 767 HD12 ILE 98 HD12 ILE 98 -13.693 13.285 -0.115 768 HD13 ILE 98 HD13 ILE 98 -12.144 13.392 0.714 769 H MET 99 H MET 99 -13.197 11.940 1.965 770 HA MET 99 HA MET 99 -12.011 12.531 4.618 771 HB2 MET 99 HB2 MET 99 -12.037 10.000 2.941 772 HB3 MET 99 HB3 MET 99 -11.084 10.201 4.409 773 HG2 MET 99 HG2 MET 99 -13.139 10.567 5.709 774 HG3 MET 99 HG3 MET 99 -14.102 10.451 4.236 775 HE1 MET 99 HE1 MET 99 -10.928 8.171 5.378 776 HE2 MET 99 HE2 MET 99 -11.861 7.105 6.423 777 HE3 MET 99 HE3 MET 99 -11.830 8.839 6.739 778 H ARG 100 H ARG 100 -9.873 12.952 4.724 779 HA ARG 100 HA ARG 100 -8.325 12.986 2.209 780 HB2 ARG 100 HB2 ARG 100 -8.445 15.131 3.346 781 HB3 ARG 100 HB3 ARG 100 -7.948 14.390 4.861 782 HG2 ARG 100 HG2 ARG 100 -5.756 13.837 3.914 783 HG3 ARG 100 HG3 ARG 100 -6.231 14.518 2.358 784 HD2 ARG 100 HD2 ARG 100 -6.173 16.056 4.972 785 HD3 ARG 100 HD3 ARG 100 -4.869 16.078 3.787 786 HE ARG 100 HE ARG 100 -7.239 16.765 2.456 787 HH11 ARG 100 HH11 ARG 100 -5.349 18.069 5.107 788 HH12 ARG 100 HH12 ARG 100 -5.235 19.614 4.343 789 HH21 ARG 100 HH21 ARG 100 -7.917 18.917 2.260 790 HH22 ARG 100 HH22 ARG 100 -7.282 20.107 3.342 791 H TYR 101 H TYR 101 -6.752 11.547 1.944 792 HA TYR 101 HA TYR 101 -5.818 10.006 4.291 793 HB2 TYR 101 HB2 TYR 101 -7.114 9.066 1.942 794 HB3 TYR 101 HB3 TYR 101 -5.428 8.565 1.838 795 HD1 TYR 101 HD1 TYR 101 -4.384 7.455 3.905 796 HD2 TYR 101 HD2 TYR 101 -8.614 8.028 3.475 797 HE1 TYR 101 HE1 TYR 101 -4.794 5.575 5.466 798 HE2 TYR 101 HE2 TYR 101 -9.013 6.350 5.270 799 HH TYR 101 HH TYR 101 -7.380 4.003 5.687 800 HA PRO 102 HA PRO 102 -1.958 11.954 2.744 801 HB2 PRO 102 HB2 PRO 102 -1.081 11.028 5.426 802 HB3 PRO 102 HB3 PRO 102 -0.946 12.636 4.700 803 HG2 PRO 102 HG2 PRO 102 -2.655 12.137 6.685 804 HG3 PRO 102 HG3 PRO 102 -3.076 13.250 5.370 805 HD2 PRO 102 HD2 PRO 102 -3.926 10.375 5.750 806 HD3 PRO 102 HD3 PRO 102 -4.893 11.778 5.236 807 H TYR 103 H TYR 103 -0.302 10.837 1.810 808 HA TYR 103 HA TYR 103 0.253 8.082 2.720 809 HB2 TYR 103 HB2 TYR 103 -1.125 8.006 0.697 810 HB3 TYR 103 HB3 TYR 103 0.023 9.032 -0.149 811 HD1 TYR 103 HD1 TYR 103 -0.412 5.755 1.557 812 HD2 TYR 103 HD2 TYR 103 1.838 8.011 -1.311 813 HE1 TYR 103 HE1 TYR 103 1.095 3.818 1.219 814 HE2 TYR 103 HE2 TYR 103 2.850 5.865 -2.100 815 HH TYR 103 HH TYR 103 4.040 4.266 -0.417 816 H ILE 104 H ILE 104 2.372 7.698 3.067 817 HA ILE 104 HA ILE 104 4.299 9.687 2.026 818 HB ILE 104 HB ILE 104 4.485 8.066 4.568 819 HG12 ILE 104 HG12 ILE 104 4.329 11.070 4.146 820 HG13 ILE 104 HG13 ILE 104 2.934 10.070 4.526 821 HG21 ILE 104 HG21 ILE 104 6.438 9.796 3.064 822 HG22 ILE 104 HG22 ILE 104 6.721 8.246 3.859 823 HG23 ILE 104 HG23 ILE 104 6.522 9.709 4.820 824 HD11 ILE 104 HD11 ILE 104 4.590 11.277 6.377 825 HD12 ILE 104 HD12 ILE 104 5.142 9.602 6.380 826 HD13 ILE 104 HD13 ILE 104 3.444 9.974 6.691 827 H LYS 105 H LYS 105 5.589 8.989 0.575 828 HA LYS 105 HA LYS 105 6.739 7.672 -0.866 829 HB2 LYS 105 HB2 LYS 105 7.554 6.539 1.803 830 HB3 LYS 105 HB3 LYS 105 8.359 6.126 0.289 831 HG2 LYS 105 HG2 LYS 105 8.820 8.511 -0.122 832 HG3 LYS 105 HG3 LYS 105 8.007 8.938 1.378 833 HD2 LYS 105 HD2 LYS 105 9.678 7.614 2.644 834 HD3 LYS 105 HD3 LYS 105 10.482 7.201 1.129 835 HE2 LYS 105 HE2 LYS 105 10.903 9.589 0.694 836 HE3 LYS 105 HE3 LYS 105 10.086 10.010 2.197 837 HZ1 LYS 105 HZ1 LYS 105 12.702 8.752 1.788 838 HZ2 LYS 105 HZ2 LYS 105 11.826 8.343 3.184 839 HZ3 LYS 105 HZ3 LYS 105 12.247 9.960 2.887
Contact the webmaster for help, if required. Sunday, May 19, 2024 5:13:56 PM GMT (wattos1)