NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
654642 | 6tpb | 34464 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 HIS 1 H1 HIS 1 3.049 0.228 1.800 2 H2 HIS 1 H2 HIS 1 3.667 1.634 1.170 3 H3 HIS 1 H3 HIS 1 2.040 1.439 1.351 4 HA HIS 1 HA HIS 1 2.046 -0.395 -0.253 5 HB2 HIS 1 HB2 HIS 1 3.193 2.226 -1.275 6 HB3 HIS 1 HB3 HIS 1 2.362 1.015 -2.263 7 HD1 HIS 1 HD1 HIS 1 1.747 3.709 0.378 8 HD2 HIS 1 HD2 HIS 1 -0.393 1.045 -2.061 9 HE1 HIS 1 HE1 HIS 1 -0.642 4.435 0.415 10 H ALA 2 H ALA 2 3.337 -1.374 -2.089 11 HA ALA 2 HA ALA 2 5.908 -2.151 -1.011 12 HB1 ALA 2 HB1 ALA 2 4.479 -3.748 -2.319 13 HB2 ALA 2 HB2 ALA 2 4.636 -2.731 -3.771 14 HB3 ALA 2 HB3 ALA 2 6.042 -3.538 -3.072 15 H HIS 3 H HIS 3 7.645 -0.902 -1.082 16 HA HIS 3 HA HIS 3 8.468 0.376 -3.644 17 HB2 HIS 3 HB2 HIS 3 8.868 1.515 -0.828 18 HB3 HIS 3 HB3 HIS 3 9.516 2.206 -2.374 19 HD1 HIS 3 HD1 HIS 3 7.536 3.005 -4.155 20 HD2 HIS 3 HD2 HIS 3 6.404 2.405 -0.157 21 HE1 HIS 3 HE1 HIS 3 5.293 4.163 -3.785 22 H LEU 4 H LEU 4 10.705 0.194 -4.044 23 HA LEU 4 HA LEU 4 11.937 -2.153 -2.882 24 HB2 LEU 4 HB2 LEU 4 12.095 -1.488 -5.315 25 HB3 LEU 4 HB3 LEU 4 13.000 -0.095 -4.848 26 HG LEU 4 HG LEU 4 14.817 -1.636 -4.092 27 HD11 LEU 4 HD11 LEU 4 13.559 -3.678 -3.655 28 HD12 LEU 4 HD12 LEU 4 14.748 -3.981 -4.910 29 HD13 LEU 4 HD13 LEU 4 13.065 -3.748 -5.388 30 HD21 LEU 4 HD21 LEU 4 13.839 -2.021 -6.966 31 HD22 LEU 4 HD22 LEU 4 15.554 -2.140 -6.375 32 HD23 LEU 4 HD23 LEU 4 14.706 -0.593 -6.349 33 H LYS 5 H LYS 5 13.364 -2.218 -1.106 34 HA LYS 5 HA LYS 5 14.745 0.392 -0.541 35 HB2 LYS 5 HB2 LYS 5 14.079 -1.742 1.474 36 HB3 LYS 5 HB3 LYS 5 15.056 -0.296 1.761 37 HG2 LYS 5 HG2 LYS 5 13.085 1.113 1.054 38 HG3 LYS 5 HG3 LYS 5 12.137 -0.394 1.000 39 HD2 LYS 5 HD2 LYS 5 11.686 0.609 3.111 40 HD3 LYS 5 HD3 LYS 5 12.712 -0.810 3.407 41 HE2 LYS 5 HE2 LYS 5 14.691 0.626 3.560 42 HE3 LYS 5 HE3 LYS 5 13.672 2.086 3.270 43 HZ1 LYS 5 HZ1 LYS 5 13.348 0.228 5.616 44 HZ2 LYS 5 HZ2 LYS 5 12.519 1.671 5.329 45 HZ3 LYS 5 HZ3 LYS 5 14.140 1.690 5.643 46 H SER 6 H SER 6 15.369 -2.945 -1.254 47 HA SER 6 HA SER 6 18.196 -2.312 -1.459 48 HB2 SER 6 HB2 SER 6 18.904 -4.251 -0.125 49 HB3 SER 6 HB3 SER 6 18.009 -3.099 0.894 50 HG SER 6 HG SER 6 17.504 -5.504 0.896 51 H ALA 7 H ALA 7 19.316 -3.957 -2.697 52 HA ALA 7 HA ALA 7 17.554 -5.736 -4.232 53 HB1 ALA 7 HB1 ALA 7 17.990 -4.626 -6.418 54 HB2 ALA 7 HB2 ALA 7 17.115 -3.556 -5.307 55 HB3 ALA 7 HB3 ALA 7 18.853 -3.313 -5.576 56 H THR 8 H THR 8 18.522 -6.893 -5.875 57 HA THR 8 HA THR 8 21.314 -7.752 -5.480 58 HB THR 8 HB THR 8 19.027 -8.658 -7.327 59 HG1 THR 8 HG1 THR 8 18.570 -8.965 -5.116 60 HG21 THR 8 HG21 THR 8 20.933 -9.628 -8.302 61 HG22 THR 8 HG22 THR 8 20.262 -10.884 -7.246 62 HG23 THR 8 HG23 THR 8 21.656 -9.948 -6.676 63 HA PRO 9 HA PRO 9 23.488 -5.225 -8.550 64 HB2 PRO 9 HB2 PRO 9 21.921 -6.484 -10.802 65 HB3 PRO 9 HB3 PRO 9 23.660 -6.126 -10.617 66 HG2 PRO 9 HG2 PRO 9 22.175 -8.623 -9.585 67 HG3 PRO 9 HG3 PRO 9 23.929 -8.456 -9.737 68 HD2 PRO 9 HD2 PRO 9 22.828 -8.449 -7.270 69 HD3 PRO 9 HD3 PRO 9 24.058 -7.203 -7.659 70 H ALA 10 H ALA 10 22.629 -3.700 -7.396 71 HA ALA 10 HA ALA 10 20.255 -2.248 -7.903 72 HB1 ALA 10 HB1 ALA 10 21.832 -2.249 -5.900 73 HB2 ALA 10 HB2 ALA 10 22.828 -1.093 -6.814 74 HB3 ALA 10 HB3 ALA 10 21.154 -0.742 -6.374 75 H ALA 11 H ALA 11 20.268 0.095 -8.524 76 HA ALA 11 HA ALA 11 20.947 0.211 -11.210 77 HB1 ALA 11 HB1 ALA 11 20.236 2.544 -11.101 78 HB2 ALA 11 HB2 ALA 11 19.279 1.636 -9.940 79 HB3 ALA 11 HB3 ALA 11 20.611 2.601 -9.374 80 H ASP 12 H ASP 12 22.481 1.092 -12.449 81 HA ASP 12 HA ASP 12 24.503 1.715 -13.199 82 HB2 ASP 12 HB2 ASP 12 24.722 3.272 -10.591 83 HB3 ASP 12 HB3 ASP 12 25.845 3.446 -11.967 84 H SER 13 H SER 13 24.274 -0.630 -10.990 85 HA SER 13 HA SER 13 27.054 -0.725 -10.138 86 HB2 SER 13 HB2 SER 13 26.578 -2.873 -9.161 87 HB3 SER 13 HB3 SER 13 25.318 -1.728 -8.706 88 HG SER 13 HG SER 13 23.933 -2.686 -10.141 89 H THR 14 H THR 14 28.570 -2.561 -10.605 90 HA THR 14 HA THR 14 28.096 -3.683 -13.316 91 HB THR 14 HB THR 14 30.797 -3.020 -12.141 92 HG1 THR 14 HG1 THR 14 29.459 -1.188 -12.827 93 HG21 THR 14 HG21 THR 14 31.530 -3.452 -14.461 94 HG22 THR 14 HG22 THR 14 29.910 -4.058 -14.836 95 HG23 THR 14 HG23 THR 14 30.921 -4.898 -13.637 96 H VAL 15 H VAL 15 27.700 -5.882 -13.117 97 HA VAL 15 HA VAL 15 29.244 -7.408 -11.049 98 HB VAL 15 HB VAL 15 27.091 -8.661 -10.584 99 HG11 VAL 15 HG11 VAL 15 27.700 -6.768 -9.155 100 HG12 VAL 15 HG12 VAL 15 26.751 -5.635 -10.192 101 HG13 VAL 15 HG13 VAL 15 25.947 -6.953 -9.268 102 HG21 VAL 15 HG21 VAL 15 25.996 -8.189 -12.867 103 HG22 VAL 15 HG22 VAL 15 24.968 -7.950 -11.482 104 HG23 VAL 15 HG23 VAL 15 25.662 -6.526 -12.257 105 H ALA 16 H ALA 16 29.182 -9.799 -11.384 106 HA ALA 16 HA ALA 16 29.307 -10.679 -14.193 107 HB1 ALA 16 HB1 ALA 16 29.561 -12.896 -13.162 108 HB2 ALA 16 HB2 ALA 16 30.735 -11.788 -12.432 109 HB3 ALA 16 HB3 ALA 16 29.227 -12.221 -11.563 110 H ALA 17 H ALA 17 27.465 -12.253 -15.027 111 HA ALA 17 HA ALA 17 24.982 -11.067 -14.289 112 HB1 ALA 17 HB1 ALA 17 25.356 -12.303 -16.415 113 HB2 ALA 17 HB2 ALA 17 25.392 -13.813 -15.528 114 HB3 ALA 17 HB3 ALA 17 23.900 -12.829 -15.544 115 HA PRO 18 HA PRO 18 24.342 -13.227 -10.481 116 HB2 PRO 18 HB2 PRO 18 21.769 -12.592 -9.935 117 HB3 PRO 18 HB3 PRO 18 23.067 -11.375 -9.862 118 HG2 PRO 18 HG2 PRO 18 21.168 -12.071 -12.086 119 HG3 PRO 18 HG3 PRO 18 21.476 -10.442 -11.397 120 HD2 PRO 18 HD2 PRO 18 22.657 -11.246 -13.651 121 HD3 PRO 18 HD3 PRO 18 23.557 -10.274 -12.434 122 H ALA 19 H ALA 19 23.294 -15.232 -9.625 123 HA ALA 19 HA ALA 19 22.444 -17.031 -11.734 124 HB1 ALA 19 HB1 ALA 19 21.863 -18.548 -9.831 125 HB2 ALA 19 HB2 ALA 19 23.492 -17.814 -9.587 126 HB3 ALA 19 HB3 ALA 19 22.072 -17.206 -8.689 127 H ASP 20 H ASP 20 20.844 -14.977 -9.324 128 HA ASP 20 HA ASP 20 18.302 -15.037 -10.812 129 HB2 ASP 20 HB2 ASP 20 16.991 -15.653 -8.834 130 HB3 ASP 20 HB3 ASP 20 18.112 -16.937 -9.192 131 H LEU 21 H LEU 21 16.872 -13.212 -9.933 132 HA LEU 21 HA LEU 21 18.602 -11.119 -8.631 133 HB2 LEU 21 HB2 LEU 21 16.145 -10.742 -10.397 134 HB3 LEU 21 HB3 LEU 21 17.087 -9.467 -9.594 135 HG LEU 21 HG LEU 21 19.019 -9.894 -11.070 136 HD11 LEU 21 HD11 LEU 21 17.120 -11.799 -12.473 137 HD12 LEU 21 HD12 LEU 21 18.752 -12.142 -11.857 138 HD13 LEU 21 HD13 LEU 21 18.544 -11.110 -13.240 139 HD21 LEU 21 HD21 LEU 21 17.261 -8.137 -11.493 140 HD22 LEU 21 HD22 LEU 21 16.456 -9.351 -12.586 141 HD23 LEU 21 HD23 LEU 21 18.079 -8.755 -12.960 142 H ARG 22 H ARG 22 17.988 -10.439 -6.682 143 HA ARG 22 HA ARG 22 15.335 -11.375 -5.643 144 HB2 ARG 22 HB2 ARG 22 17.968 -10.931 -4.212 145 HB3 ARG 22 HB3 ARG 22 16.475 -11.447 -3.440 146 HG2 ARG 22 HG2 ARG 22 16.504 -13.521 -4.715 147 HG3 ARG 22 HG3 ARG 22 17.980 -13.002 -5.584 148 HD2 ARG 22 HD2 ARG 22 18.591 -14.567 -3.914 149 HD3 ARG 22 HD3 ARG 22 19.275 -12.943 -3.578 150 HE ARG 22 HE ARG 22 17.193 -14.456 -2.035 151 HH11 ARG 22 HH11 ARG 22 19.238 -11.569 -2.334 152 HH12 ARG 22 HH12 ARG 22 19.059 -11.097 -0.654 153 HH21 ARG 22 HH21 ARG 22 16.937 -13.758 0.100 154 HH22 ARG 22 HH22 ARG 22 17.731 -12.314 0.655 155 H LEU 23 H LEU 23 13.948 -9.693 -5.539 156 HA LEU 23 HA LEU 23 15.104 -6.981 -4.931 157 HB2 LEU 23 HB2 LEU 23 12.390 -7.800 -6.067 158 HB3 LEU 23 HB3 LEU 23 12.841 -6.154 -5.685 159 HG LEU 23 HG LEU 23 14.585 -6.238 -7.449 160 HD11 LEU 23 HD11 LEU 23 14.281 -7.978 -9.301 161 HD12 LEU 23 HD12 LEU 23 13.369 -8.970 -8.069 162 HD13 LEU 23 HD13 LEU 23 15.115 -8.511 -7.829 163 HD21 LEU 23 HD21 LEU 23 12.961 -6.002 -9.265 164 HD22 LEU 23 HD22 LEU 23 12.356 -5.258 -7.771 165 HD23 LEU 23 HD23 LEU 23 11.715 -6.828 -8.317 166 H THR 24 H THR 24 14.481 -5.990 -2.978 167 HA THR 24 HA THR 24 12.707 -7.664 -1.242 168 HB THR 24 HB THR 24 15.014 -5.896 -0.366 169 HG1 THR 24 HG1 THR 24 15.575 -7.894 -1.485 170 HG21 THR 24 HG21 THR 24 13.406 -7.948 1.151 171 HG22 THR 24 HG22 THR 24 13.170 -6.185 1.304 172 HG23 THR 24 HG23 THR 24 14.719 -6.941 1.800 173 H PHE 25 H PHE 25 10.852 -6.680 -0.663 174 HA PHE 25 HA PHE 25 10.715 -3.682 -0.990 175 HB2 PHE 25 HB2 PHE 25 8.465 -5.741 -1.305 176 HB3 PHE 25 HB3 PHE 25 8.320 -4.017 -1.505 177 HD1 PHE 25 HD1 PHE 25 9.382 -7.139 -3.030 178 HD2 PHE 25 HD2 PHE 25 9.371 -2.859 -3.430 179 HE1 PHE 25 HE1 PHE 25 9.899 -7.362 -5.457 180 HE2 PHE 25 HE2 PHE 25 10.013 -3.065 -5.853 181 HZ PHE 25 HZ PHE 25 10.208 -5.305 -6.885 182 H SER 26 H SER 26 9.446 -2.474 0.504 183 HA SER 26 HA SER 26 9.665 -3.369 3.249 184 HB2 SER 26 HB2 SER 26 9.718 -1.015 2.556 185 HB3 SER 26 HB3 SER 26 8.045 -1.107 2.050 186 HG SER 26 HG SER 26 7.949 -0.334 4.088 187 H GLU 27 H GLU 27 6.926 -3.281 0.994 188 HA GLU 27 HA GLU 27 5.154 -4.658 2.966 189 HB2 GLU 27 HB2 GLU 27 4.335 -2.516 1.980 190 HB3 GLU 27 HB3 GLU 27 4.590 -3.216 0.372 191 HG2 GLU 27 HG2 GLU 27 2.306 -3.298 0.694 192 HG3 GLU 27 HG3 GLU 27 2.832 -4.966 0.980 193 H GLY 28 H GLY 28 4.365 -6.765 2.336 194 HA2 GLY 28 HA2 GLY 28 6.024 -8.100 0.432 195 HA3 GLY 28 HA3 GLY 28 4.625 -8.786 1.298 196 H VAL 29 H VAL 29 5.337 -9.304 -1.464 197 HA VAL 29 HA VAL 29 3.042 -7.941 -2.849 198 HB VAL 29 HB VAL 29 4.333 -8.212 -4.923 199 HG11 VAL 29 HG11 VAL 29 5.771 -6.634 -2.721 200 HG12 VAL 29 HG12 VAL 29 6.120 -6.489 -4.451 201 HG13 VAL 29 HG13 VAL 29 4.510 -6.023 -3.830 202 HG21 VAL 29 HG21 VAL 29 5.696 -10.182 -4.228 203 HG22 VAL 29 HG22 VAL 29 6.655 -8.881 -4.983 204 HG23 VAL 29 HG23 VAL 29 6.686 -9.096 -3.181 205 H GLU 30 H GLU 30 1.880 -9.233 -4.490 206 HA GLU 30 HA GLU 30 1.725 -12.052 -3.602 207 HB2 GLU 30 HB2 GLU 30 0.136 -10.567 -5.724 208 HB3 GLU 30 HB3 GLU 30 -0.128 -12.250 -5.288 209 HG2 GLU 30 HG2 GLU 30 -0.428 -9.953 -3.285 210 HG3 GLU 30 HG3 GLU 30 -1.754 -10.569 -4.243 211 H ALA 31 H ALA 31 2.801 -13.655 -4.680 212 HA ALA 31 HA ALA 31 4.670 -12.993 -6.739 213 HB1 ALA 31 HB1 ALA 31 3.567 -15.726 -5.918 214 HB2 ALA 31 HB2 ALA 31 5.064 -15.444 -6.845 215 HB3 ALA 31 HB3 ALA 31 4.933 -14.886 -5.183 216 H THR 32 H THR 32 1.436 -14.146 -6.734 217 HA THR 32 HA THR 32 1.247 -15.250 -9.326 218 HB THR 32 HB THR 32 -0.877 -13.974 -7.558 219 HG1 THR 32 HG1 THR 32 0.110 -16.648 -7.612 220 HG21 THR 32 HG21 THR 32 -2.380 -15.681 -8.547 221 HG22 THR 32 HG22 THR 32 -1.070 -16.164 -9.649 222 HG23 THR 32 HG23 THR 32 -1.781 -14.553 -9.732 223 H PHE 33 H PHE 33 0.781 -11.798 -8.285 224 HA PHE 33 HA PHE 33 0.038 -11.223 -11.106 225 HB2 PHE 33 HB2 PHE 33 -0.499 -9.547 -8.672 226 HB3 PHE 33 HB3 PHE 33 -1.026 -9.179 -10.304 227 HD1 PHE 33 HD1 PHE 33 -1.745 -10.981 -7.232 228 HD2 PHE 33 HD2 PHE 33 -2.694 -10.739 -11.427 229 HE1 PHE 33 HE1 PHE 33 -3.829 -12.313 -6.845 230 HE2 PHE 33 HE2 PHE 33 -4.744 -12.102 -11.057 231 HZ PHE 33 HZ PHE 33 -5.362 -12.868 -8.757 232 H THR 34 H THR 34 2.705 -10.990 -9.144 233 HA THR 34 HA THR 34 3.669 -8.358 -10.035 234 HB THR 34 HB THR 34 5.147 -10.764 -8.814 235 HG1 THR 34 HG1 THR 34 3.839 -10.067 -7.237 236 HG21 THR 34 HG21 THR 34 6.018 -7.826 -8.989 237 HG22 THR 34 HG22 THR 34 6.737 -9.209 -9.868 238 HG23 THR 34 HG23 THR 34 6.812 -9.096 -8.086 239 H LYS 35 H LYS 35 5.069 -7.965 -11.809 240 HA LYS 35 HA LYS 35 5.886 -10.329 -13.403 241 HB2 LYS 35 HB2 LYS 35 3.741 -9.512 -14.357 242 HB3 LYS 35 HB3 LYS 35 4.525 -7.939 -14.645 243 HG2 LYS 35 HG2 LYS 35 6.143 -9.016 -16.158 244 HG3 LYS 35 HG3 LYS 35 5.365 -10.606 -15.877 245 HD2 LYS 35 HD2 LYS 35 3.276 -9.705 -16.770 246 HD3 LYS 35 HD3 LYS 35 4.050 -8.156 -17.137 247 HE2 LYS 35 HE2 LYS 35 5.696 -9.377 -18.541 248 HE3 LYS 35 HE3 LYS 35 4.801 -10.889 -18.269 249 HZ1 LYS 35 HZ1 LYS 35 3.966 -8.533 -19.727 250 HZ2 LYS 35 HZ2 LYS 35 2.853 -9.638 -19.166 251 HZ3 LYS 35 HZ3 LYS 35 4.023 -10.099 -20.240 252 H VAL 36 H VAL 36 7.954 -10.167 -14.306 253 HA VAL 36 HA VAL 36 9.213 -7.471 -14.241 254 HB VAL 36 HB VAL 36 10.505 -10.078 -13.272 255 HG11 VAL 36 HG11 VAL 36 12.374 -8.420 -12.564 256 HG12 VAL 36 HG12 VAL 36 12.282 -8.740 -14.293 257 HG13 VAL 36 HG13 VAL 36 11.615 -7.233 -13.616 258 HG21 VAL 36 HG21 VAL 36 10.622 -8.868 -11.037 259 HG22 VAL 36 HG22 VAL 36 9.567 -7.619 -11.695 260 HG23 VAL 36 HG23 VAL 36 8.980 -9.288 -11.525 261 H SER 37 H SER 37 10.386 -6.959 -16.015 262 HA SER 37 HA SER 37 10.939 -9.117 -17.951 263 HB2 SER 37 HB2 SER 37 9.960 -6.303 -18.551 264 HB3 SER 37 HB3 SER 37 10.543 -7.485 -19.766 265 HG SER 37 HG SER 37 8.418 -7.803 -19.717 266 H LEU 38 H LEU 38 12.871 -8.957 -19.020 267 HA LEU 38 HA LEU 38 14.809 -6.922 -17.952 268 HB2 LEU 38 HB2 LEU 38 15.180 -9.217 -17.002 269 HB3 LEU 38 HB3 LEU 38 15.224 -9.841 -18.648 270 HG LEU 38 HG LEU 38 17.333 -8.621 -19.073 271 HD11 LEU 38 HD11 LEU 38 17.271 -8.055 -16.081 272 HD12 LEU 38 HD12 LEU 38 17.073 -6.854 -17.394 273 HD13 LEU 38 HD13 LEU 38 18.617 -7.724 -17.228 274 HD21 LEU 38 HD21 LEU 38 17.229 -10.965 -18.280 275 HD22 LEU 38 HD22 LEU 38 17.413 -10.405 -16.630 276 HD23 LEU 38 HD23 LEU 38 18.708 -10.117 -17.805 277 H SER 39 H SER 39 15.973 -5.832 -19.551 278 HA SER 39 HA SER 39 15.772 -6.963 -22.309 279 HB2 SER 39 HB2 SER 39 15.287 -4.051 -21.515 280 HB3 SER 39 HB3 SER 39 15.422 -4.661 -23.168 281 HG SER 39 HG SER 39 13.225 -4.469 -22.213 282 H LYS 40 H LYS 40 17.374 -6.570 -23.679 283 HA LYS 40 HA LYS 40 20.002 -5.463 -22.598 284 HB2 LYS 40 HB2 LYS 40 19.791 -7.957 -22.655 285 HB3 LYS 40 HB3 LYS 40 19.367 -7.928 -24.360 286 HG2 LYS 40 HG2 LYS 40 22.047 -6.827 -23.380 287 HG3 LYS 40 HG3 LYS 40 21.788 -8.584 -23.602 288 HD2 LYS 40 HD2 LYS 40 21.078 -8.189 -25.961 289 HD3 LYS 40 HD3 LYS 40 21.482 -6.471 -25.818 290 HE2 LYS 40 HE2 LYS 40 23.842 -7.097 -25.352 291 HE3 LYS 40 HE3 LYS 40 23.400 -8.808 -25.506 292 HZ1 LYS 40 HZ1 LYS 40 22.716 -8.352 -27.847 293 HZ2 LYS 40 HZ2 LYS 40 24.335 -8.085 -27.585 294 HZ3 LYS 40 HZ3 LYS 40 23.298 -6.806 -27.721 295 H ASP 41 H ASP 41 20.138 -3.522 -23.696 296 HA ASP 41 HA ASP 41 20.379 -2.114 -25.390 297 HB2 ASP 41 HB2 ASP 41 21.891 -4.061 -26.115 298 HB3 ASP 41 HB3 ASP 41 20.647 -4.369 -27.347 299 H GLY 42 H GLY 42 17.700 -3.017 -24.748 300 HA2 GLY 42 HA2 GLY 42 15.605 -2.317 -25.516 301 HA3 GLY 42 HA3 GLY 42 16.268 -2.034 -27.124 302 H THR 43 H THR 43 17.107 -5.195 -26.019 303 HA THR 43 HA THR 43 14.640 -6.267 -27.354 304 HB THR 43 HB THR 43 17.403 -7.533 -27.359 305 HG1 THR 43 HG1 THR 43 16.212 -6.672 -29.677 306 HG21 THR 43 HG21 THR 43 16.429 -8.967 -29.074 307 HG22 THR 43 HG22 THR 43 14.842 -8.208 -28.726 308 HG23 THR 43 HG23 THR 43 15.655 -9.187 -27.480 309 H GLU 44 H GLU 44 13.408 -7.563 -26.044 310 HA GLU 44 HA GLU 44 14.077 -7.983 -23.293 311 HB2 GLU 44 HB2 GLU 44 11.979 -9.253 -24.991 312 HB3 GLU 44 HB3 GLU 44 12.152 -9.457 -23.241 313 HG2 GLU 44 HG2 GLU 44 11.744 -7.031 -22.988 314 HG3 GLU 44 HG3 GLU 44 11.471 -6.841 -24.678 315 H VAL 45 H VAL 45 14.712 -9.650 -22.110 316 HA VAL 45 HA VAL 45 15.843 -11.995 -23.634 317 HB VAL 45 HB VAL 45 16.597 -10.791 -20.868 318 HG11 VAL 45 HG11 VAL 45 16.929 -13.279 -20.905 319 HG12 VAL 45 HG12 VAL 45 17.915 -13.137 -22.362 320 HG13 VAL 45 HG13 VAL 45 18.482 -12.414 -20.878 321 HG21 VAL 45 HG21 VAL 45 18.094 -10.808 -23.547 322 HG22 VAL 45 HG22 VAL 45 17.400 -9.404 -22.719 323 HG23 VAL 45 HG23 VAL 45 18.794 -10.293 -21.989 324 H ALA 46 H ALA 46 15.042 -13.998 -23.039 325 HA ALA 46 HA ALA 46 12.529 -14.106 -21.865 326 HB1 ALA 46 HB1 ALA 46 12.845 -16.598 -22.048 327 HB2 ALA 46 HB2 ALA 46 13.280 -15.703 -23.539 328 HB3 ALA 46 HB3 ALA 46 14.563 -16.302 -22.464 329 H ILE 47 H ILE 47 11.704 -15.023 -20.007 330 HA ILE 47 HA ILE 47 13.543 -15.168 -17.682 331 HB ILE 47 HB ILE 47 10.685 -14.030 -17.811 332 HG12 ILE 47 HG12 ILE 47 12.331 -12.464 -18.814 333 HG13 ILE 47 HG13 ILE 47 11.700 -11.837 -17.308 334 HG21 ILE 47 HG21 ILE 47 12.588 -14.327 -15.458 335 HG22 ILE 47 HG22 ILE 47 11.191 -13.218 -15.461 336 HG23 ILE 47 HG23 ILE 47 10.922 -14.957 -15.648 337 HD11 ILE 47 HD11 ILE 47 14.453 -13.169 -17.658 338 HD12 ILE 47 HD12 ILE 47 14.128 -11.436 -17.564 339 HD13 ILE 47 HD13 ILE 47 13.823 -12.454 -16.155 340 H LYS 48 H LYS 48 13.313 -16.944 -16.365 341 HA LYS 48 HA LYS 48 11.903 -19.185 -17.393 342 HB2 LYS 48 HB2 LYS 48 13.971 -19.119 -15.879 343 HB3 LYS 48 HB3 LYS 48 12.903 -18.663 -14.575 344 HG2 LYS 48 HG2 LYS 48 13.231 -20.947 -14.186 345 HG3 LYS 48 HG3 LYS 48 11.650 -20.864 -14.920 346 HD2 LYS 48 HD2 LYS 48 12.754 -22.762 -15.866 347 HD3 LYS 48 HD3 LYS 48 12.813 -21.510 -17.131 348 HE2 LYS 48 HE2 LYS 48 15.087 -20.909 -16.460 349 HE3 LYS 48 HE3 LYS 48 15.061 -22.146 -15.172 350 HZ1 LYS 48 HZ1 LYS 48 16.136 -22.899 -17.259 351 HZ2 LYS 48 HZ2 LYS 48 14.753 -22.658 -18.090 352 HZ3 LYS 48 HZ3 LYS 48 14.819 -23.831 -16.924 353 H GLY 49 H GLY 49 11.119 -16.722 -15.004 354 HA2 GLY 49 HA2 GLY 49 8.470 -16.559 -14.933 355 HA3 GLY 49 HA3 GLY 49 8.661 -18.133 -14.053 356 H LEU 50 H LEU 50 7.835 -16.714 -12.152 357 HA LEU 50 HA LEU 50 10.228 -15.696 -10.752 358 HB2 LEU 50 HB2 LEU 50 9.312 -13.684 -9.982 359 HB3 LEU 50 HB3 LEU 50 9.227 -13.670 -11.746 360 HG LEU 50 HG LEU 50 6.906 -14.178 -9.847 361 HD11 LEU 50 HD11 LEU 50 7.535 -11.721 -11.469 362 HD12 LEU 50 HD12 LEU 50 8.009 -11.922 -9.778 363 HD13 LEU 50 HD13 LEU 50 6.303 -11.922 -10.262 364 HD21 LEU 50 HD21 LEU 50 5.494 -13.594 -11.824 365 HD22 LEU 50 HD22 LEU 50 6.296 -15.164 -11.967 366 HD23 LEU 50 HD23 LEU 50 6.929 -13.726 -12.848 367 H GLU 51 H GLU 51 9.955 -15.624 -8.437 368 HA GLU 51 HA GLU 51 7.607 -17.061 -7.355 369 HB2 GLU 51 HB2 GLU 51 8.937 -18.956 -6.583 370 HB3 GLU 51 HB3 GLU 51 9.052 -18.789 -8.330 371 HG2 GLU 51 HG2 GLU 51 11.282 -17.650 -8.052 372 HG3 GLU 51 HG3 GLU 51 11.160 -18.005 -6.327 373 H THR 52 H THR 52 7.830 -17.470 -4.999 374 HA THR 52 HA THR 52 9.707 -15.530 -3.641 375 HB THR 52 HB THR 52 7.925 -15.227 -1.888 376 HG1 THR 52 HG1 THR 52 6.747 -17.139 -2.479 377 HG21 THR 52 HG21 THR 52 8.164 -13.547 -3.635 378 HG22 THR 52 HG22 THR 52 6.470 -13.716 -3.098 379 HG23 THR 52 HG23 THR 52 6.959 -14.437 -4.619 380 HA PRO 53 HA PRO 53 10.110 -19.842 -2.076 381 HB2 PRO 53 HB2 PRO 53 12.717 -19.886 -1.372 382 HB3 PRO 53 HB3 PRO 53 12.197 -20.054 -3.062 383 HG2 PRO 53 HG2 PRO 53 13.167 -17.609 -1.542 384 HG3 PRO 53 HG3 PRO 53 13.733 -18.236 -3.135 385 HD2 PRO 53 HD2 PRO 53 11.883 -16.244 -3.004 386 HD3 PRO 53 HD3 PRO 53 11.812 -17.476 -4.286 387 H ASP 54 H ASP 54 10.990 -16.770 -0.539 388 HA ASP 54 HA ASP 54 11.472 -17.852 2.113 389 HB2 ASP 54 HB2 ASP 54 10.758 -15.097 1.080 390 HB3 ASP 54 HB3 ASP 54 11.079 -15.470 2.796 391 H ALA 55 H ALA 55 10.175 -17.626 3.916 392 HA ALA 55 HA ALA 55 7.403 -18.350 3.475 393 HB1 ALA 55 HB1 ALA 55 8.798 -18.970 5.501 394 HB2 ALA 55 HB2 ALA 55 8.763 -17.291 6.023 395 HB3 ALA 55 HB3 ALA 55 7.269 -18.230 5.923 396 H ASP 56 H ASP 56 9.153 -15.338 4.183 397 HA ASP 56 HA ASP 56 6.760 -13.787 4.454 398 HB2 ASP 56 HB2 ASP 56 9.650 -12.985 4.006 399 HB3 ASP 56 HB3 ASP 56 8.339 -11.827 4.289 400 H LYS 57 H LYS 57 6.134 -12.043 2.864 401 HA LYS 57 HA LYS 57 6.647 -12.878 0.027 402 HB2 LYS 57 HB2 LYS 57 4.574 -11.006 1.269 403 HB3 LYS 57 HB3 LYS 57 4.654 -11.501 -0.431 404 HG2 LYS 57 HG2 LYS 57 4.110 -13.388 1.957 405 HG3 LYS 57 HG3 LYS 57 2.906 -12.735 0.835 406 HD2 LYS 57 HD2 LYS 57 4.137 -13.769 -1.107 407 HD3 LYS 57 HD3 LYS 57 5.254 -14.541 0.057 408 HE2 LYS 57 HE2 LYS 57 3.328 -15.719 1.095 409 HE3 LYS 57 HE3 LYS 57 2.248 -15.009 -0.114 410 HZ1 LYS 57 HZ1 LYS 57 4.580 -16.811 -0.684 411 HZ2 LYS 57 HZ2 LYS 57 3.707 -16.059 -1.843 412 HZ3 LYS 57 HZ3 LYS 57 2.977 -17.182 -0.898 413 H LYS 58 H LYS 58 8.083 -11.019 2.208 414 HA LYS 58 HA LYS 58 8.325 -8.453 0.885 415 HB2 LYS 58 HB2 LYS 58 10.131 -9.758 2.927 416 HB3 LYS 58 HB3 LYS 58 10.239 -8.066 2.375 417 HG2 LYS 58 HG2 LYS 58 7.929 -7.638 3.256 418 HG3 LYS 58 HG3 LYS 58 7.915 -9.298 3.932 419 HD2 LYS 58 HD2 LYS 58 9.948 -7.153 4.606 420 HD3 LYS 58 HD3 LYS 58 8.503 -7.503 5.569 421 HE2 LYS 58 HE2 LYS 58 9.324 -9.861 5.825 422 HE3 LYS 58 HE3 LYS 58 10.829 -9.408 4.973 423 HZ1 LYS 58 HZ1 LYS 58 10.930 -9.376 7.478 424 HZ2 LYS 58 HZ2 LYS 58 9.844 -8.121 7.485 425 HZ3 LYS 58 HZ3 LYS 58 11.322 -7.917 6.806 426 H THR 59 H THR 59 9.860 -11.482 0.376 427 HA THR 59 HA THR 59 11.972 -10.231 -1.281 428 HB THR 59 HB THR 59 11.792 -13.084 -0.330 429 HG1 THR 59 HG1 THR 59 13.208 -12.574 1.217 430 HG21 THR 59 HG21 THR 59 14.128 -11.581 -1.527 431 HG22 THR 59 HG22 THR 59 13.150 -12.811 -2.347 432 HG23 THR 59 HG23 THR 59 14.132 -13.271 -0.966 433 H LEU 60 H LEU 60 11.912 -10.406 -3.468 434 HA LEU 60 HA LEU 60 10.014 -12.365 -4.672 435 HB2 LEU 60 HB2 LEU 60 9.216 -9.978 -4.719 436 HB3 LEU 60 HB3 LEU 60 10.685 -9.522 -5.584 437 HG LEU 60 HG LEU 60 8.696 -9.503 -6.932 438 HD11 LEU 60 HD11 LEU 60 9.538 -10.567 -8.912 439 HD12 LEU 60 HD12 LEU 60 10.539 -11.665 -7.953 440 HD13 LEU 60 HD13 LEU 60 10.912 -9.969 -7.972 441 HD21 LEU 60 HD21 LEU 60 7.644 -11.503 -5.720 442 HD22 LEU 60 HD22 LEU 60 8.632 -12.555 -6.706 443 HD23 LEU 60 HD23 LEU 60 7.451 -11.497 -7.478 444 H VAL 61 H VAL 61 10.953 -13.720 -6.190 445 HA VAL 61 HA VAL 61 13.753 -12.980 -6.961 446 HB VAL 61 HB VAL 61 12.648 -15.773 -6.234 447 HG11 VAL 61 HG11 VAL 61 14.356 -15.939 -7.928 448 HG12 VAL 61 HG12 VAL 61 15.468 -14.972 -7.021 449 HG13 VAL 61 HG13 VAL 61 14.962 -16.573 -6.430 450 HG21 VAL 61 HG21 VAL 61 14.470 -13.837 -4.740 451 HG22 VAL 61 HG22 VAL 61 12.855 -14.474 -4.236 452 HG23 VAL 61 HG23 VAL 61 14.278 -15.563 -4.315 453 H VAL 62 H VAL 62 14.346 -13.046 -8.994 454 HA VAL 62 HA VAL 62 12.478 -14.259 -11.020 455 HB VAL 62 HB VAL 62 14.233 -11.783 -11.286 456 HG11 VAL 62 HG11 VAL 62 13.158 -11.472 -13.472 457 HG12 VAL 62 HG12 VAL 62 14.019 -13.020 -13.431 458 HG13 VAL 62 HG13 VAL 62 12.269 -12.966 -13.280 459 HG21 VAL 62 HG21 VAL 62 12.345 -11.275 -9.869 460 HG22 VAL 62 HG22 VAL 62 12.000 -10.610 -11.500 461 HG23 VAL 62 HG23 VAL 62 11.221 -12.152 -10.990 462 H THR 63 H THR 63 13.407 -15.697 -12.518 463 HA THR 63 HA THR 63 16.375 -15.939 -12.394 464 HB THR 63 HB THR 63 14.391 -18.171 -12.995 465 HG1 THR 63 HG1 THR 63 15.290 -18.890 -10.878 466 HG21 THR 63 HG21 THR 63 16.402 -19.621 -12.554 467 HG22 THR 63 HG22 THR 63 17.391 -18.129 -12.589 468 HG23 THR 63 HG23 THR 63 16.484 -18.618 -14.064 469 HA PRO 64 HA PRO 64 15.933 -14.828 -16.736 470 HB2 PRO 64 HB2 PRO 64 18.557 -14.844 -17.482 471 HB3 PRO 64 HB3 PRO 64 17.916 -13.573 -16.395 472 HG2 PRO 64 HG2 PRO 64 19.382 -16.097 -15.624 473 HG3 PRO 64 HG3 PRO 64 19.726 -14.402 -15.133 474 HD2 PRO 64 HD2 PRO 64 18.236 -15.999 -13.505 475 HD3 PRO 64 HD3 PRO 64 17.838 -14.247 -13.730 476 H ALA 65 H ALA 65 15.968 -16.009 -18.722 477 HA ALA 65 HA ALA 65 16.077 -18.918 -18.426 478 HB1 ALA 65 HB1 ALA 65 14.337 -17.799 -19.749 479 HB2 ALA 65 HB2 ALA 65 15.607 -17.286 -20.912 480 HB3 ALA 65 HB3 ALA 65 15.233 -19.022 -20.679 481 H ALA 66 H ALA 66 18.286 -16.526 -19.510 482 HA ALA 66 HA ALA 66 20.207 -18.600 -20.411 483 HB1 ALA 66 HB1 ALA 66 18.912 -17.770 -22.487 484 HB2 ALA 66 HB2 ALA 66 19.517 -16.162 -22.153 485 HB3 ALA 66 HB3 ALA 66 20.599 -17.446 -22.557 486 HA PRO 67 HA PRO 67 22.922 -16.062 -18.186 487 HB2 PRO 67 HB2 PRO 67 25.353 -16.426 -19.405 488 HB3 PRO 67 HB3 PRO 67 24.550 -17.696 -18.461 489 HG2 PRO 67 HG2 PRO 67 24.534 -17.231 -21.434 490 HG3 PRO 67 HG3 PRO 67 24.936 -18.716 -20.564 491 HD2 PRO 67 HD2 PRO 67 22.497 -18.349 -21.615 492 HD3 PRO 67 HD3 PRO 67 22.672 -19.080 -19.973 493 H LEU 68 H LEU 68 23.945 -13.973 -18.219 494 HA LEU 68 HA LEU 68 23.217 -12.434 -20.617 495 HB2 LEU 68 HB2 LEU 68 24.095 -11.442 -17.879 496 HB3 LEU 68 HB3 LEU 68 23.453 -10.437 -19.171 497 HG LEU 68 HG LEU 68 21.884 -12.554 -17.615 498 HD11 LEU 68 HD11 LEU 68 20.699 -10.611 -16.706 499 HD12 LEU 68 HD12 LEU 68 21.814 -9.534 -17.530 500 HD13 LEU 68 HD13 LEU 68 22.408 -10.631 -16.276 501 HD21 LEU 68 HD21 LEU 68 20.888 -10.681 -19.741 502 HD22 LEU 68 HD22 LEU 68 19.889 -11.641 -18.655 503 HD23 LEU 68 HD23 LEU 68 20.939 -12.447 -19.834 504 H ALA 69 H ALA 69 24.626 -11.592 -22.019 505 HA ALA 69 HA ALA 69 27.477 -12.143 -21.690 506 HB1 ALA 69 HB1 ALA 69 27.661 -11.112 -23.921 507 HB2 ALA 69 HB2 ALA 69 26.230 -12.168 -23.906 508 HB3 ALA 69 HB3 ALA 69 26.009 -10.436 -23.770 509 H ALA 70 H ALA 70 29.045 -10.184 -21.938 510 HA ALA 70 HA ALA 70 28.529 -8.251 -19.900 511 HB1 ALA 70 HB1 ALA 70 30.810 -8.947 -20.665 512 HB2 ALA 70 HB2 ALA 70 30.502 -8.148 -22.215 513 HB3 ALA 70 HB3 ALA 70 30.604 -7.184 -20.700 514 H GLY 71 H GLY 71 27.829 -6.028 -20.023 515 HA2 GLY 71 HA2 GLY 71 27.561 -4.242 -21.962 516 HA3 GLY 71 HA3 GLY 71 26.314 -5.421 -22.511 517 H ASN 72 H ASN 72 25.190 -3.211 -22.250 518 HA ASN 72 HA ASN 72 24.372 -2.549 -19.459 519 HB2 ASN 72 HB2 ASN 72 24.927 -0.864 -21.224 520 HB3 ASN 72 HB3 ASN 72 23.468 -1.334 -22.091 521 HD21 ASN 72 HD21 ASN 72 24.702 0.948 -20.195 522 HD22 ASN 72 HD22 ASN 72 23.264 1.515 -19.394 523 H TYR 73 H TYR 73 22.526 -3.081 -18.473 524 HA TYR 73 HA TYR 73 20.308 -4.225 -20.152 525 HB2 TYR 73 HB2 TYR 73 21.361 -5.221 -17.455 526 HB3 TYR 73 HB3 TYR 73 19.891 -5.780 -18.260 527 HD1 TYR 73 HD1 TYR 73 23.604 -5.762 -18.684 528 HD2 TYR 73 HD2 TYR 73 19.855 -7.430 -19.960 529 HE1 TYR 73 HE1 TYR 73 24.803 -7.428 -20.113 530 HE2 TYR 73 HE2 TYR 73 21.089 -9.140 -21.319 531 HH TYR 73 HH TYR 73 24.618 -9.245 -21.395 532 H LYS 74 H LYS 74 18.216 -4.074 -19.305 533 HA LYS 74 HA LYS 74 17.817 -2.023 -17.179 534 HB2 LYS 74 HB2 LYS 74 17.467 -1.090 -19.522 535 HB3 LYS 74 HB3 LYS 74 16.258 -2.356 -19.772 536 HG2 LYS 74 HG2 LYS 74 15.019 -0.396 -19.306 537 HG3 LYS 74 HG3 LYS 74 14.966 -1.372 -17.825 538 HD2 LYS 74 HD2 LYS 74 15.273 0.902 -17.104 539 HD3 LYS 74 HD3 LYS 74 16.856 0.118 -16.915 540 HE2 LYS 74 HE2 LYS 74 17.612 1.104 -19.067 541 HE3 LYS 74 HE3 LYS 74 16.032 1.890 -19.242 542 HZ1 LYS 74 HZ1 LYS 74 16.493 3.168 -17.312 543 HZ2 LYS 74 HZ2 LYS 74 17.688 3.377 -18.384 544 HZ3 LYS 74 HZ3 LYS 74 17.927 2.441 -17.084 545 H VAL 75 H VAL 75 16.220 -2.553 -15.726 546 HA VAL 75 HA VAL 75 14.696 -5.078 -16.211 547 HB VAL 75 HB VAL 75 15.629 -3.825 -13.555 548 HG11 VAL 75 HG11 VAL 75 14.660 -5.989 -12.579 549 HG12 VAL 75 HG12 VAL 75 13.466 -4.837 -13.216 550 HG13 VAL 75 HG13 VAL 75 13.906 -6.282 -14.190 551 HG21 VAL 75 HG21 VAL 75 17.038 -5.794 -13.310 552 HG22 VAL 75 HG22 VAL 75 16.425 -6.491 -14.820 553 HG23 VAL 75 HG23 VAL 75 17.426 -5.019 -14.844 554 H VAL 76 H VAL 76 12.518 -4.807 -16.264 555 HA VAL 76 HA VAL 76 11.394 -2.188 -15.245 556 HB VAL 76 HB VAL 76 10.488 -3.809 -17.673 557 HG11 VAL 76 HG11 VAL 76 8.923 -1.902 -18.033 558 HG12 VAL 76 HG12 VAL 76 8.626 -2.813 -16.527 559 HG13 VAL 76 HG13 VAL 76 9.434 -1.225 -16.436 560 HG21 VAL 76 HG21 VAL 76 11.232 -1.915 -19.014 561 HG22 VAL 76 HG22 VAL 76 11.723 -0.981 -17.574 562 HG23 VAL 76 HG23 VAL 76 12.613 -2.464 -18.042 563 H TRP 77 H TRP 77 9.726 -2.506 -13.722 564 HA TRP 77 HA TRP 77 8.674 -5.256 -13.548 565 HB2 TRP 77 HB2 TRP 77 9.135 -5.331 -11.106 566 HB3 TRP 77 HB3 TRP 77 10.567 -5.290 -12.053 567 HD1 TRP 77 HD1 TRP 77 12.124 -3.079 -11.864 568 HE1 TRP 77 HE1 TRP 77 12.289 -1.111 -10.251 569 HE3 TRP 77 HE3 TRP 77 7.758 -3.851 -9.465 570 HZ2 TRP 77 HZ2 TRP 77 10.570 0.096 -8.333 571 HZ3 TRP 77 HZ3 TRP 77 7.066 -2.258 -7.630 572 HH2 TRP 77 HH2 TRP 77 8.423 -0.234 -7.182 573 H ASN 78 H ASN 78 6.835 -5.591 -12.360 574 HA ASN 78 HA ASN 78 5.212 -3.240 -11.558 575 HB2 ASN 78 HB2 ASN 78 4.567 -3.953 -13.944 576 HB3 ASN 78 HB3 ASN 78 4.236 -5.545 -13.230 577 HD21 ASN 78 HD21 ASN 78 2.160 -5.904 -13.138 578 HD22 ASN 78 HD22 ASN 78 0.968 -4.777 -12.535 579 H ALA 79 H ALA 79 4.546 -3.599 -9.493 580 HA ALA 79 HA ALA 79 4.456 -6.416 -8.568 581 HB1 ALA 79 HB1 ALA 79 6.474 -5.488 -7.675 582 HB2 ALA 79 HB2 ALA 79 5.608 -4.021 -7.131 583 HB3 ALA 79 HB3 ALA 79 5.295 -5.587 -6.394 584 H VAL 80 H VAL 80 2.778 -6.901 -7.123 585 HA VAL 80 HA VAL 80 0.833 -4.732 -6.533 586 HB VAL 80 HB VAL 80 0.215 -7.634 -7.298 587 HG11 VAL 80 HG11 VAL 80 -1.336 -6.953 -5.655 588 HG12 VAL 80 HG12 VAL 80 -1.639 -5.403 -6.522 589 HG13 VAL 80 HG13 VAL 80 -2.154 -6.985 -7.206 590 HG21 VAL 80 HG21 VAL 80 -0.901 -6.697 -9.315 591 HG22 VAL 80 HG22 VAL 80 -0.438 -5.060 -8.787 592 HG23 VAL 80 HG23 VAL 80 0.774 -6.253 -9.307 593 H SER 81 H SER 81 0.452 -4.483 -4.503 594 HA SER 81 HA SER 81 1.937 -6.081 -2.647 595 HB2 SER 81 HB2 SER 81 1.072 -4.573 -0.973 596 HB3 SER 81 HB3 SER 81 1.613 -3.620 -2.337 597 HG SER 81 HG SER 81 -0.376 -2.976 -1.552 598 H VAL 82 H VAL 82 0.859 -7.003 -0.608 599 HA VAL 82 HA VAL 82 -1.318 -8.750 -1.448 600 HB VAL 82 HB VAL 82 -1.366 -9.593 0.878 601 HG11 VAL 82 HG11 VAL 82 0.959 -10.338 1.113 602 HG12 VAL 82 HG12 VAL 82 0.359 -10.554 -0.534 603 HG13 VAL 82 HG13 VAL 82 1.484 -9.191 -0.166 604 HG21 VAL 82 HG21 VAL 82 0.764 -7.478 1.488 605 HG22 VAL 82 HG22 VAL 82 -0.950 -7.297 1.888 606 HG23 VAL 82 HG23 VAL 82 -0.009 -8.611 2.591 607 H ASP 83 H ASP 83 -1.192 -5.536 -0.463 608 HA ASP 83 HA ASP 83 -4.008 -5.581 0.511 609 HB2 ASP 83 HB2 ASP 83 -2.116 -4.178 1.548 610 HB3 ASP 83 HB3 ASP 83 -2.208 -3.181 0.059 611 H THR 84 H THR 84 -3.015 -6.219 -2.295 612 HA THR 84 HA THR 84 -3.504 -5.982 -4.430 613 HB THR 84 HB THR 84 -5.726 -5.250 -5.164 614 HG1 THR 84 HG1 THR 84 -5.564 -3.843 -2.723 615 HG21 THR 84 HG21 THR 84 -5.931 -6.584 -2.412 616 HG22 THR 84 HG22 THR 84 -5.513 -7.435 -3.934 617 HG23 THR 84 HG23 THR 84 -7.116 -6.664 -3.742 618 H HIS 85 H HIS 85 -2.615 -3.064 -3.002 619 HA HIS 85 HA HIS 85 -3.166 -1.237 -5.156 620 HB2 HIS 85 HB2 HIS 85 -2.498 -0.587 -2.822 621 HB3 HIS 85 HB3 HIS 85 -0.819 -1.141 -3.150 622 HD1 HIS 85 HD1 HIS 85 -3.291 1.591 -4.073 623 HD2 HIS 85 HD2 HIS 85 0.728 0.598 -4.666 624 HE1 HIS 85 HE1 HIS 85 -2.133 3.646 -5.015 625 H LYS 86 H LYS 86 -1.783 -0.643 -6.956 626 HA LYS 86 HA LYS 86 0.362 -2.601 -7.564 627 HB2 LYS 86 HB2 LYS 86 -1.697 -2.680 -8.936 628 HB3 LYS 86 HB3 LYS 86 -1.402 -0.983 -9.423 629 HG2 LYS 86 HG2 LYS 86 0.734 -1.762 -10.527 630 HG3 LYS 86 HG3 LYS 86 0.256 -3.443 -10.144 631 HD2 LYS 86 HD2 LYS 86 -1.324 -1.511 -11.882 632 HD3 LYS 86 HD3 LYS 86 -0.274 -2.818 -12.462 633 HE2 LYS 86 HE2 LYS 86 -1.723 -4.481 -11.215 634 HE3 LYS 86 HE3 LYS 86 -2.806 -3.145 -10.785 635 HZ1 LYS 86 HZ1 LYS 86 -3.479 -2.856 -12.967 636 HZ2 LYS 86 HZ2 LYS 86 -3.363 -4.496 -12.823 637 HZ3 LYS 86 HZ3 LYS 86 -2.170 -3.683 -13.602 638 H SER 87 H SER 87 2.434 -1.931 -8.194 639 HA SER 87 HA SER 87 2.786 1.003 -8.785 640 HB2 SER 87 HB2 SER 87 4.385 -0.621 -6.768 641 HB3 SER 87 HB3 SER 87 4.780 1.047 -7.300 642 HG SER 87 HG SER 87 3.645 1.029 -5.355 643 H ASN 88 H ASN 88 4.728 1.389 -10.095 644 HA ASN 88 HA ASN 88 6.143 -1.034 -10.988 645 HB2 ASN 88 HB2 ASN 88 5.859 -0.594 -13.357 646 HB3 ASN 88 HB3 ASN 88 4.279 -0.738 -12.599 647 HD21 ASN 88 HD21 ASN 88 5.860 0.882 -14.870 648 HD22 ASN 88 HD22 ASN 88 5.046 2.412 -14.749 649 H GLY 89 H GLY 89 8.153 -0.553 -12.330 650 HA2 GLY 89 HA2 GLY 89 9.155 2.139 -12.444 651 HA3 GLY 89 HA3 GLY 89 9.755 1.325 -11.009 652 H GLU 90 H GLU 90 11.789 1.955 -12.537 653 HA GLU 90 HA GLU 90 12.597 -0.579 -13.764 654 HB2 GLU 90 HB2 GLU 90 13.153 0.362 -15.938 655 HB3 GLU 90 HB3 GLU 90 11.445 0.656 -15.620 656 HG2 GLU 90 HG2 GLU 90 11.981 3.018 -15.020 657 HG3 GLU 90 HG3 GLU 90 13.669 2.666 -15.485 658 H TYR 91 H TYR 91 14.940 -0.752 -14.047 659 HA TYR 91 HA TYR 91 16.576 1.573 -13.370 660 HB2 TYR 91 HB2 TYR 91 17.747 0.457 -11.480 661 HB3 TYR 91 HB3 TYR 91 16.037 0.684 -11.103 662 HD1 TYR 91 HD1 TYR 91 18.688 -1.801 -11.860 663 HD2 TYR 91 HD2 TYR 91 14.518 -1.252 -10.850 664 HE1 TYR 91 HE1 TYR 91 18.567 -4.208 -11.214 665 HE2 TYR 91 HE2 TYR 91 14.400 -3.716 -10.210 666 HH TYR 91 HH TYR 91 15.563 -5.687 -9.952 667 H SER 92 H SER 92 18.952 1.043 -13.696 668 HA SER 92 HA SER 92 19.227 -1.241 -15.607 669 HB2 SER 92 HB2 SER 92 20.613 0.243 -17.016 670 HB3 SER 92 HB3 SER 92 19.027 0.983 -16.787 671 HG SER 92 HG SER 92 20.760 2.468 -16.477 672 H PHE 93 H PHE 93 21.370 -1.991 -15.959 673 HA PHE 93 HA PHE 93 23.464 -1.249 -14.071 674 HB2 PHE 93 HB2 PHE 93 23.637 -3.343 -12.886 675 HB3 PHE 93 HB3 PHE 93 21.969 -2.753 -12.690 676 HD1 PHE 93 HD1 PHE 93 20.106 -3.923 -13.804 677 HD2 PHE 93 HD2 PHE 93 24.141 -5.368 -14.213 678 HE1 PHE 93 HE1 PHE 93 19.277 -6.145 -14.751 679 HE2 PHE 93 HE2 PHE 93 23.307 -7.502 -15.131 680 HZ PHE 93 HZ PHE 93 20.920 -7.893 -15.392 681 H LYS 94 H LYS 94 25.481 -2.692 -14.472 682 HA LYS 94 HA LYS 94 25.429 -3.506 -17.358 683 HB2 LYS 94 HB2 LYS 94 26.698 -1.400 -16.912 684 HB3 LYS 94 HB3 LYS 94 27.766 -2.309 -15.823 685 HG2 LYS 94 HG2 LYS 94 28.478 -3.717 -17.768 686 HG3 LYS 94 HG3 LYS 94 27.407 -2.741 -18.851 687 HD2 LYS 94 HD2 LYS 94 28.684 -0.698 -18.211 688 HD3 LYS 94 HD3 LYS 94 29.788 -1.734 -17.250 689 HE2 LYS 94 HE2 LYS 94 30.304 -3.034 -19.433 690 HE3 LYS 94 HE3 LYS 94 29.244 -1.885 -20.286 691 HZ1 LYS 94 HZ1 LYS 94 31.718 -1.193 -18.900 692 HZ2 LYS 94 HZ2 LYS 94 30.657 -0.105 -19.545 693 HZ3 LYS 94 HZ3 LYS 94 31.443 -1.160 -20.520 694 H VAL 95 H VAL 95 26.204 -5.485 -17.893 695 HA VAL 95 HA VAL 95 27.173 -7.159 -15.634 696 HB VAL 95 HB VAL 95 26.601 -7.929 -18.549 697 HG11 VAL 95 HG11 VAL 95 26.866 -10.265 -17.842 698 HG12 VAL 95 HG12 VAL 95 28.398 -9.397 -17.558 699 HG13 VAL 95 HG13 VAL 95 27.321 -9.741 -16.194 700 HG21 VAL 95 HG21 VAL 95 24.721 -9.140 -17.511 701 HG22 VAL 95 HG22 VAL 95 25.129 -8.465 -15.931 702 HG23 VAL 95 HG23 VAL 95 24.587 -7.400 -17.210 703 H GLY 96 H GLY 96 29.308 -7.505 -15.300 704 HA2 GLY 96 HA2 GLY 96 31.249 -6.818 -17.434 705 HA3 GLY 96 HA3 GLY 96 31.400 -6.190 -15.804 706 H GLN 97 H GLN 97 30.616 -9.391 -17.168 707 HA GLN 97 HA GLN 97 31.752 -10.927 -15.089 708 HB2 GLN 97 HB2 GLN 97 31.506 -12.799 -16.569 709 HB3 GLN 97 HB3 GLN 97 30.116 -11.716 -16.842 710 HG2 GLN 97 HG2 GLN 97 31.237 -10.842 -18.904 711 HG3 GLN 97 HG3 GLN 97 32.584 -11.944 -18.604 712 HE21 GLN 97 HE21 GLN 97 32.093 -12.708 -20.772 713 HE22 GLN 97 HE22 GLN 97 30.890 -13.968 -20.963 Start of MODEL 2 1 H1 HIS 1 H1 HIS 1 0.838 -0.927 -2.751 2 H2 HIS 1 H2 HIS 1 0.511 0.474 -3.538 3 H3 HIS 1 H3 HIS 1 1.764 -0.492 -3.992 4 HA HIS 1 HA HIS 1 2.538 1.407 -2.750 5 HB2 HIS 1 HB2 HIS 1 1.995 1.417 -0.285 6 HB3 HIS 1 HB3 HIS 1 0.602 1.653 -1.324 7 HD1 HIS 1 HD1 HIS 1 2.100 -0.976 1.007 8 HD2 HIS 1 HD2 HIS 1 -1.394 -0.227 -1.177 9 HE1 HIS 1 HE1 HIS 1 0.356 -2.674 1.728 10 H ALA 2 H ALA 2 3.521 -0.951 -3.805 11 HA ALA 2 HA ALA 2 5.235 -2.092 -1.623 12 HB1 ALA 2 HB1 ALA 2 4.624 -3.067 -4.478 13 HB2 ALA 2 HB2 ALA 2 5.787 -3.788 -3.347 14 HB3 ALA 2 HB3 ALA 2 4.068 -3.751 -2.933 15 H HIS 3 H HIS 3 7.149 -0.962 -1.378 16 HA HIS 3 HA HIS 3 8.383 0.043 -3.896 17 HB2 HIS 3 HB2 HIS 3 8.368 1.370 -1.149 18 HB3 HIS 3 HB3 HIS 3 9.212 1.985 -2.594 19 HD1 HIS 3 HD1 HIS 3 7.386 2.333 -4.771 20 HD2 HIS 3 HD2 HIS 3 5.826 2.363 -0.870 21 HE1 HIS 3 HE1 HIS 3 5.145 3.500 -4.843 22 H LEU 4 H LEU 4 10.599 0.071 -4.050 23 HA LEU 4 HA LEU 4 11.802 -2.328 -3.046 24 HB2 LEU 4 HB2 LEU 4 12.242 -1.287 -5.270 25 HB3 LEU 4 HB3 LEU 4 13.046 0.005 -4.479 26 HG LEU 4 HG LEU 4 14.731 -1.701 -3.660 27 HD11 LEU 4 HD11 LEU 4 13.303 -3.684 -3.650 28 HD12 LEU 4 HD12 LEU 4 14.660 -3.948 -4.710 29 HD13 LEU 4 HD13 LEU 4 13.097 -3.572 -5.419 30 HD21 LEU 4 HD21 LEU 4 15.862 -1.844 -5.747 31 HD22 LEU 4 HD22 LEU 4 14.863 -0.364 -5.862 32 HD23 LEU 4 HD23 LEU 4 14.341 -1.866 -6.672 33 H LYS 5 H LYS 5 13.181 -2.699 -1.342 34 HA LYS 5 HA LYS 5 14.103 -0.280 0.220 35 HB2 LYS 5 HB2 LYS 5 12.454 -1.802 1.380 36 HB3 LYS 5 HB3 LYS 5 13.622 -3.088 1.252 37 HG2 LYS 5 HG2 LYS 5 15.173 -1.768 2.595 38 HG3 LYS 5 HG3 LYS 5 13.931 -0.498 2.768 39 HD2 LYS 5 HD2 LYS 5 12.436 -2.184 3.816 40 HD3 LYS 5 HD3 LYS 5 13.765 -3.390 3.714 41 HE2 LYS 5 HE2 LYS 5 15.137 -1.915 5.205 42 HE3 LYS 5 HE3 LYS 5 13.783 -0.746 5.273 43 HZ1 LYS 5 HZ1 LYS 5 13.641 -2.087 7.176 44 HZ2 LYS 5 HZ2 LYS 5 13.875 -3.511 6.314 45 HZ3 LYS 5 HZ3 LYS 5 12.434 -2.641 6.149 46 H SER 6 H SER 6 15.097 -3.350 -1.163 47 HA SER 6 HA SER 6 17.942 -2.546 -1.131 48 HB2 SER 6 HB2 SER 6 17.706 -3.592 1.096 49 HB3 SER 6 HB3 SER 6 16.987 -5.018 0.369 50 HG SER 6 HG SER 6 19.257 -5.171 0.787 51 H ALA 7 H ALA 7 19.162 -3.972 -2.642 52 HA ALA 7 HA ALA 7 17.624 -6.053 -4.033 53 HB1 ALA 7 HB1 ALA 7 17.616 -4.935 -6.246 54 HB2 ALA 7 HB2 ALA 7 16.896 -3.824 -5.049 55 HB3 ALA 7 HB3 ALA 7 18.566 -3.569 -5.587 56 H THR 8 H THR 8 18.575 -7.098 -5.747 57 HA THR 8 HA THR 8 21.465 -7.616 -5.604 58 HB THR 8 HB THR 8 19.116 -8.842 -7.219 59 HG1 THR 8 HG1 THR 8 20.333 -9.436 -4.715 60 HG21 THR 8 HG21 THR 8 21.863 -9.933 -6.629 61 HG22 THR 8 HG22 THR 8 21.149 -9.563 -8.246 62 HG23 THR 8 HG23 THR 8 20.493 -10.856 -7.228 63 HA PRO 9 HA PRO 9 23.194 -5.116 -8.978 64 HB2 PRO 9 HB2 PRO 9 21.332 -6.264 -11.010 65 HB3 PRO 9 HB3 PRO 9 23.093 -5.938 -11.018 66 HG2 PRO 9 HG2 PRO 9 21.664 -8.385 -9.837 67 HG3 PRO 9 HG3 PRO 9 23.367 -8.306 -10.366 68 HD2 PRO 9 HD2 PRO 9 22.787 -8.357 -7.712 69 HD3 PRO 9 HD3 PRO 9 23.926 -7.088 -8.299 70 H ALA 10 H ALA 10 22.312 -3.634 -7.533 71 HA ALA 10 HA ALA 10 19.957 -2.183 -7.897 72 HB1 ALA 10 HB1 ALA 10 22.561 -1.490 -6.549 73 HB2 ALA 10 HB2 ALA 10 21.109 -0.525 -6.514 74 HB3 ALA 10 HB3 ALA 10 21.084 -2.102 -5.804 75 H ALA 11 H ALA 11 20.005 0.239 -8.532 76 HA ALA 11 HA ALA 11 20.887 0.460 -11.197 77 HB1 ALA 11 HB1 ALA 11 20.411 2.841 -11.012 78 HB2 ALA 11 HB2 ALA 11 19.123 1.920 -10.233 79 HB3 ALA 11 HB3 ALA 11 20.371 2.699 -9.256 80 H ASP 12 H ASP 12 22.552 1.351 -12.260 81 HA ASP 12 HA ASP 12 24.670 1.892 -12.725 82 HB2 ASP 12 HB2 ASP 12 23.921 3.898 -11.161 83 HB3 ASP 12 HB3 ASP 12 25.135 3.223 -10.055 84 H SER 13 H SER 13 24.149 -0.533 -10.786 85 HA SER 13 HA SER 13 26.820 -0.855 -9.614 86 HB2 SER 13 HB2 SER 13 24.569 -2.832 -9.942 87 HB3 SER 13 HB3 SER 13 26.040 -3.113 -9.018 88 HG SER 13 HG SER 13 23.862 -1.412 -8.502 89 H THR 14 H THR 14 28.444 -2.308 -10.299 90 HA THR 14 HA THR 14 27.968 -3.538 -12.987 91 HB THR 14 HB THR 14 30.631 -2.505 -11.962 92 HG1 THR 14 HG1 THR 14 29.348 -0.787 -12.444 93 HG21 THR 14 HG21 THR 14 30.772 -4.411 -13.553 94 HG22 THR 14 HG22 THR 14 31.377 -2.887 -14.260 95 HG23 THR 14 HG23 THR 14 29.759 -3.509 -14.705 96 H VAL 15 H VAL 15 27.712 -5.739 -12.563 97 HA VAL 15 HA VAL 15 29.597 -6.958 -10.620 98 HB VAL 15 HB VAL 15 27.710 -8.286 -9.653 99 HG11 VAL 15 HG11 VAL 15 26.691 -6.435 -8.304 100 HG12 VAL 15 HG12 VAL 15 28.395 -6.137 -8.539 101 HG13 VAL 15 HG13 VAL 15 27.221 -5.243 -9.488 102 HG21 VAL 15 HG21 VAL 15 26.226 -8.170 -11.650 103 HG22 VAL 15 HG22 VAL 15 25.432 -7.810 -10.131 104 HG23 VAL 15 HG23 VAL 15 25.848 -6.470 -11.230 105 H ALA 16 H ALA 16 29.666 -9.401 -10.777 106 HA ALA 16 HA ALA 16 29.779 -10.305 -13.532 107 HB1 ALA 16 HB1 ALA 16 29.785 -11.850 -10.906 108 HB2 ALA 16 HB2 ALA 16 30.193 -12.486 -12.515 109 HB3 ALA 16 HB3 ALA 16 31.239 -11.272 -11.730 110 H ALA 17 H ALA 17 28.324 -12.013 -14.426 111 HA ALA 17 HA ALA 17 25.621 -11.246 -13.974 112 HB1 ALA 17 HB1 ALA 17 25.112 -13.457 -15.270 113 HB2 ALA 17 HB2 ALA 17 25.989 -12.112 -16.098 114 HB3 ALA 17 HB3 ALA 17 26.881 -13.533 -15.479 115 HA PRO 18 HA PRO 18 24.796 -13.809 -10.434 116 HB2 PRO 18 HB2 PRO 18 22.234 -13.147 -9.985 117 HB3 PRO 18 HB3 PRO 18 23.535 -11.945 -9.722 118 HG2 PRO 18 HG2 PRO 18 21.757 -12.346 -12.108 119 HG3 PRO 18 HG3 PRO 18 22.078 -10.833 -11.201 120 HD2 PRO 18 HD2 PRO 18 23.393 -11.414 -13.462 121 HD3 PRO 18 HD3 PRO 18 24.200 -10.579 -12.100 122 H ALA 19 H ALA 19 23.410 -15.747 -9.851 123 HA ALA 19 HA ALA 19 22.619 -17.246 -12.227 124 HB1 ALA 19 HB1 ALA 19 22.276 -17.853 -9.226 125 HB2 ALA 19 HB2 ALA 19 21.864 -18.963 -10.536 126 HB3 ALA 19 HB3 ALA 19 23.553 -18.476 -10.288 127 H ASP 20 H ASP 20 21.083 -15.351 -9.625 128 HA ASP 20 HA ASP 20 18.590 -15.098 -11.184 129 HB2 ASP 20 HB2 ASP 20 17.169 -15.807 -9.311 130 HB3 ASP 20 HB3 ASP 20 18.257 -17.122 -9.770 131 H LEU 21 H LEU 21 17.216 -13.305 -10.145 132 HA LEU 21 HA LEU 21 19.029 -11.343 -8.749 133 HB2 LEU 21 HB2 LEU 21 16.627 -10.801 -10.519 134 HB3 LEU 21 HB3 LEU 21 17.610 -9.600 -9.674 135 HG LEU 21 HG LEU 21 19.551 -10.105 -11.106 136 HD11 LEU 21 HD11 LEU 21 19.090 -11.185 -13.358 137 HD12 LEU 21 HD12 LEU 21 17.593 -11.823 -12.690 138 HD13 LEU 21 HD13 LEU 21 19.164 -12.297 -12.023 139 HD21 LEU 21 HD21 LEU 21 17.963 -8.201 -11.485 140 HD22 LEU 21 HD22 LEU 21 16.988 -9.306 -12.562 141 HD23 LEU 21 HD23 LEU 21 18.636 -8.850 -13.019 142 H ARG 22 H ARG 22 18.240 -10.430 -6.799 143 HA ARG 22 HA ARG 22 15.490 -11.330 -5.973 144 HB2 ARG 22 HB2 ARG 22 17.908 -10.771 -4.267 145 HB3 ARG 22 HB3 ARG 22 16.311 -11.299 -3.656 146 HG2 ARG 22 HG2 ARG 22 16.643 -13.454 -4.904 147 HG3 ARG 22 HG3 ARG 22 18.234 -12.901 -5.463 148 HD2 ARG 22 HD2 ARG 22 18.654 -14.257 -3.604 149 HD3 ARG 22 HD3 ARG 22 18.986 -12.582 -3.159 150 HE ARG 22 HE ARG 22 16.310 -13.359 -2.419 151 HH11 ARG 22 HH11 ARG 22 19.667 -13.858 -1.431 152 HH12 ARG 22 HH12 ARG 22 19.236 -14.153 0.236 153 HH21 ARG 22 HH21 ARG 22 15.818 -13.888 -0.368 154 HH22 ARG 22 HH22 ARG 22 17.053 -14.232 0.836 155 H LEU 23 H LEU 23 14.125 -9.797 -5.138 156 HA LEU 23 HA LEU 23 15.241 -7.007 -4.787 157 HB2 LEU 23 HB2 LEU 23 12.481 -7.838 -5.891 158 HB3 LEU 23 HB3 LEU 23 12.955 -6.186 -5.542 159 HG LEU 23 HG LEU 23 14.274 -7.908 -7.658 160 HD11 LEU 23 HD11 LEU 23 12.195 -5.722 -7.851 161 HD12 LEU 23 HD12 LEU 23 12.032 -7.410 -8.377 162 HD13 LEU 23 HD13 LEU 23 13.115 -6.320 -9.235 163 HD21 LEU 23 HD21 LEU 23 14.485 -4.925 -7.064 164 HD22 LEU 23 HD22 LEU 23 15.306 -5.800 -8.358 165 HD23 LEU 23 HD23 LEU 23 15.734 -6.154 -6.662 166 H THR 24 H THR 24 14.610 -6.066 -2.755 167 HA THR 24 HA THR 24 12.779 -7.743 -1.068 168 HB THR 24 HB THR 24 15.047 -5.971 -0.084 169 HG1 THR 24 HG1 THR 24 16.061 -7.907 0.420 170 HG21 THR 24 HG21 THR 24 14.563 -7.114 2.063 171 HG22 THR 24 HG22 THR 24 13.189 -7.912 1.321 172 HG23 THR 24 HG23 THR 24 13.213 -6.146 1.528 173 H PHE 25 H PHE 25 10.928 -6.741 -0.525 174 HA PHE 25 HA PHE 25 10.816 -3.773 -0.919 175 HB2 PHE 25 HB2 PHE 25 8.562 -5.865 -1.136 176 HB3 PHE 25 HB3 PHE 25 8.382 -4.142 -1.375 177 HD1 PHE 25 HD1 PHE 25 9.559 -7.292 -2.799 178 HD2 PHE 25 HD2 PHE 25 9.243 -3.048 -3.415 179 HE1 PHE 25 HE1 PHE 25 9.957 -7.621 -5.228 180 HE2 PHE 25 HE2 PHE 25 9.756 -3.350 -5.846 181 HZ PHE 25 HZ PHE 25 10.097 -5.643 -6.774 182 H SER 26 H SER 26 9.580 -2.548 0.619 183 HA SER 26 HA SER 26 9.911 -3.455 3.387 184 HB2 SER 26 HB2 SER 26 10.081 -1.127 2.686 185 HB3 SER 26 HB3 SER 26 8.374 -1.113 2.230 186 HG SER 26 HG SER 26 8.608 -0.258 4.309 187 H GLU 27 H GLU 27 7.188 -3.383 1.121 188 HA GLU 27 HA GLU 27 5.336 -4.524 3.152 189 HB2 GLU 27 HB2 GLU 27 4.654 -2.428 1.927 190 HB3 GLU 27 HB3 GLU 27 4.870 -3.316 0.409 191 HG2 GLU 27 HG2 GLU 27 2.553 -3.285 0.797 192 HG3 GLU 27 HG3 GLU 27 3.052 -4.929 1.219 193 H GLY 28 H GLY 28 4.416 -6.687 2.631 194 HA2 GLY 28 HA2 GLY 28 6.051 -8.281 0.926 195 HA3 GLY 28 HA3 GLY 28 4.516 -8.779 1.651 196 H VAL 29 H VAL 29 5.543 -9.374 -1.105 197 HA VAL 29 HA VAL 29 3.411 -7.947 -2.653 198 HB VAL 29 HB VAL 29 4.877 -8.127 -4.652 199 HG11 VAL 29 HG11 VAL 29 4.933 -6.069 -3.314 200 HG12 VAL 29 HG12 VAL 29 6.317 -6.731 -2.389 201 HG13 VAL 29 HG13 VAL 29 6.532 -6.418 -4.106 202 HG21 VAL 29 HG21 VAL 29 6.184 -10.127 -3.924 203 HG22 VAL 29 HG22 VAL 29 7.185 -8.806 -4.554 204 HG23 VAL 29 HG23 VAL 29 7.095 -9.067 -2.782 205 H GLU 30 H GLU 30 2.393 -9.186 -4.357 206 HA GLU 30 HA GLU 30 2.545 -12.123 -3.794 207 HB2 GLU 30 HB2 GLU 30 0.333 -12.305 -4.690 208 HB3 GLU 30 HB3 GLU 30 0.386 -11.175 -3.306 209 HG2 GLU 30 HG2 GLU 30 0.262 -9.226 -4.825 210 HG3 GLU 30 HG3 GLU 30 0.139 -10.332 -6.223 211 H ALA 31 H ALA 31 3.437 -13.385 -5.268 212 HA ALA 31 HA ALA 31 4.748 -12.192 -7.495 213 HB1 ALA 31 HB1 ALA 31 4.312 -15.141 -6.841 214 HB2 ALA 31 HB2 ALA 31 5.478 -14.511 -8.021 215 HB3 ALA 31 HB3 ALA 31 5.660 -14.127 -6.303 216 H THR 32 H THR 32 1.606 -13.721 -7.276 217 HA THR 32 HA THR 32 1.473 -14.570 -10.004 218 HB THR 32 HB THR 32 -0.960 -14.815 -9.544 219 HG1 THR 32 HG1 THR 32 -1.603 -14.177 -7.344 220 HG21 THR 32 HG21 THR 32 0.645 -15.652 -7.141 221 HG22 THR 32 HG22 THR 32 0.699 -16.489 -8.697 222 HG23 THR 32 HG23 THR 32 -0.779 -16.388 -7.808 223 H PHE 33 H PHE 33 0.905 -11.436 -8.573 224 HA PHE 33 HA PHE 33 -0.219 -10.477 -11.175 225 HB2 PHE 33 HB2 PHE 33 -0.302 -9.135 -8.465 226 HB3 PHE 33 HB3 PHE 33 -0.970 -8.464 -9.959 227 HD1 PHE 33 HD1 PHE 33 -1.385 -11.169 -7.433 228 HD2 PHE 33 HD2 PHE 33 -3.079 -9.161 -10.831 229 HE1 PHE 33 HE1 PHE 33 -3.588 -12.274 -7.007 230 HE2 PHE 33 HE2 PHE 33 -5.246 -10.289 -10.467 231 HZ PHE 33 HZ PHE 33 -5.532 -11.857 -8.548 232 H THR 34 H THR 34 2.669 -10.612 -9.483 233 HA THR 34 HA THR 34 3.693 -7.969 -10.273 234 HB THR 34 HB THR 34 5.134 -10.492 -9.308 235 HG1 THR 34 HG1 THR 34 3.881 -9.726 -7.628 236 HG21 THR 34 HG21 THR 34 7.017 -9.041 -8.731 237 HG22 THR 34 HG22 THR 34 6.155 -7.626 -9.352 238 HG23 THR 34 HG23 THR 34 6.636 -8.905 -10.479 239 H LYS 35 H LYS 35 4.833 -7.568 -12.195 240 HA LYS 35 HA LYS 35 5.465 -9.900 -13.934 241 HB2 LYS 35 HB2 LYS 35 4.195 -7.329 -14.846 242 HB3 LYS 35 HB3 LYS 35 4.920 -8.574 -15.883 243 HG2 LYS 35 HG2 LYS 35 3.326 -10.225 -15.166 244 HG3 LYS 35 HG3 LYS 35 2.487 -8.986 -14.171 245 HD2 LYS 35 HD2 LYS 35 2.126 -7.640 -16.219 246 HD3 LYS 35 HD3 LYS 35 2.989 -8.872 -17.159 247 HE2 LYS 35 HE2 LYS 35 1.223 -10.523 -16.579 248 HE3 LYS 35 HE3 LYS 35 0.348 -9.259 -15.606 249 HZ1 LYS 35 HZ1 LYS 35 0.029 -8.005 -17.605 250 HZ2 LYS 35 HZ2 LYS 35 -0.505 -9.545 -17.882 251 HZ3 LYS 35 HZ3 LYS 35 0.947 -9.060 -18.492 252 H VAL 36 H VAL 36 7.543 -9.859 -14.863 253 HA VAL 36 HA VAL 36 9.080 -7.349 -14.531 254 HB VAL 36 HB VAL 36 10.057 -10.161 -13.866 255 HG11 VAL 36 HG11 VAL 36 12.129 -8.798 -13.039 256 HG12 VAL 36 HG12 VAL 36 11.957 -8.898 -14.782 257 HG13 VAL 36 HG13 VAL 36 11.488 -7.422 -13.931 258 HG21 VAL 36 HG21 VAL 36 9.626 -7.765 -11.972 259 HG22 VAL 36 HG22 VAL 36 8.574 -9.187 -12.022 260 HG23 VAL 36 HG23 VAL 36 10.259 -9.335 -11.538 261 H SER 37 H SER 37 10.269 -6.768 -16.277 262 HA SER 37 HA SER 37 10.640 -8.775 -18.398 263 HB2 SER 37 HB2 SER 37 9.914 -5.817 -18.670 264 HB3 SER 37 HB3 SER 37 10.296 -6.912 -20.048 265 HG SER 37 HG SER 37 8.191 -7.144 -19.945 266 H LEU 38 H LEU 38 12.632 -8.730 -19.419 267 HA LEU 38 HA LEU 38 14.634 -6.822 -18.278 268 HB2 LEU 38 HB2 LEU 38 14.813 -9.085 -17.295 269 HB3 LEU 38 HB3 LEU 38 14.908 -9.760 -18.909 270 HG LEU 38 HG LEU 38 17.081 -8.638 -19.254 271 HD11 LEU 38 HD11 LEU 38 18.318 -7.705 -17.420 272 HD12 LEU 38 HD12 LEU 38 17.004 -8.044 -16.271 273 HD13 LEU 38 HD13 LEU 38 16.794 -6.853 -17.539 274 HD21 LEU 38 HD21 LEU 38 16.914 -10.965 -18.488 275 HD22 LEU 38 HD22 LEU 38 16.912 -10.451 -16.805 276 HD23 LEU 38 HD23 LEU 38 18.354 -10.174 -17.837 277 H SER 39 H SER 39 15.889 -5.820 -19.893 278 HA SER 39 HA SER 39 15.775 -7.058 -22.580 279 HB2 SER 39 HB2 SER 39 15.238 -4.117 -22.050 280 HB3 SER 39 HB3 SER 39 15.512 -4.829 -23.635 281 HG SER 39 HG SER 39 13.574 -5.973 -22.012 282 H LYS 40 H LYS 40 17.478 -6.725 -23.903 283 HA LYS 40 HA LYS 40 19.912 -5.370 -22.727 284 HB2 LYS 40 HB2 LYS 40 20.012 -7.866 -22.557 285 HB3 LYS 40 HB3 LYS 40 19.719 -7.979 -24.284 286 HG2 LYS 40 HG2 LYS 40 21.883 -6.750 -24.690 287 HG3 LYS 40 HG3 LYS 40 22.147 -6.866 -22.937 288 HD2 LYS 40 HD2 LYS 40 21.907 -9.284 -23.036 289 HD3 LYS 40 HD3 LYS 40 21.625 -9.241 -24.783 290 HE2 LYS 40 HE2 LYS 40 23.874 -8.331 -25.109 291 HE3 LYS 40 HE3 LYS 40 24.195 -8.478 -23.340 292 HZ1 LYS 40 HZ1 LYS 40 25.017 -10.402 -24.546 293 HZ2 LYS 40 HZ2 LYS 40 23.529 -10.724 -25.207 294 HZ3 LYS 40 HZ3 LYS 40 23.761 -10.894 -23.579 295 H ASP 41 H ASP 41 20.482 -3.737 -24.076 296 HA ASP 41 HA ASP 41 20.813 -2.541 -26.008 297 HB2 ASP 41 HB2 ASP 41 21.123 -5.290 -27.200 298 HB3 ASP 41 HB3 ASP 41 21.592 -3.786 -27.990 299 H GLY 42 H GLY 42 17.991 -3.160 -25.391 300 HA2 GLY 42 HA2 GLY 42 16.022 -2.457 -26.476 301 HA3 GLY 42 HA3 GLY 42 16.890 -2.429 -28.024 302 H THR 43 H THR 43 17.347 -5.454 -26.434 303 HA THR 43 HA THR 43 14.948 -6.590 -27.862 304 HB THR 43 HB THR 43 17.684 -7.926 -27.542 305 HG1 THR 43 HG1 THR 43 17.483 -6.122 -29.099 306 HG21 THR 43 HG21 THR 43 16.812 -9.573 -29.102 307 HG22 THR 43 HG22 THR 43 15.256 -8.700 -29.101 308 HG23 THR 43 HG23 THR 43 15.815 -9.485 -27.621 309 H GLU 44 H GLU 44 13.598 -7.745 -26.525 310 HA GLU 44 HA GLU 44 14.082 -7.952 -23.735 311 HB2 GLU 44 HB2 GLU 44 12.085 -9.388 -25.563 312 HB3 GLU 44 HB3 GLU 44 12.100 -9.456 -23.787 313 HG2 GLU 44 HG2 GLU 44 11.775 -6.967 -23.687 314 HG3 GLU 44 HG3 GLU 44 11.720 -6.907 -25.439 315 H VAL 45 H VAL 45 14.568 -9.591 -22.384 316 HA VAL 45 HA VAL 45 16.027 -11.920 -23.648 317 HB VAL 45 HB VAL 45 16.321 -10.591 -20.855 318 HG11 VAL 45 HG11 VAL 45 18.431 -12.061 -20.754 319 HG12 VAL 45 HG12 VAL 45 16.880 -12.896 -20.592 320 HG13 VAL 45 HG13 VAL 45 17.773 -12.932 -22.148 321 HG21 VAL 45 HG21 VAL 45 17.231 -9.182 -22.700 322 HG22 VAL 45 HG22 VAL 45 18.524 -9.837 -21.658 323 HG23 VAL 45 HG23 VAL 45 18.263 -10.562 -23.227 324 H ALA 46 H ALA 46 15.332 -13.993 -22.991 325 HA ALA 46 HA ALA 46 12.702 -14.166 -21.923 326 HB1 ALA 46 HB1 ALA 46 13.560 -15.772 -23.535 327 HB2 ALA 46 HB2 ALA 46 14.798 -16.298 -22.397 328 HB3 ALA 46 HB3 ALA 46 13.106 -16.646 -22.054 329 H ILE 47 H ILE 47 11.886 -14.933 -20.029 330 HA ILE 47 HA ILE 47 13.678 -15.139 -17.680 331 HB ILE 47 HB ILE 47 10.961 -13.763 -17.831 332 HG12 ILE 47 HG12 ILE 47 12.775 -12.362 -18.810 333 HG13 ILE 47 HG13 ILE 47 12.173 -11.703 -17.301 334 HG21 ILE 47 HG21 ILE 47 12.780 -14.294 -15.424 335 HG22 ILE 47 HG22 ILE 47 11.464 -13.074 -15.442 336 HG23 ILE 47 HG23 ILE 47 11.079 -14.807 -15.679 337 HD11 ILE 47 HD11 ILE 47 14.771 -13.316 -17.594 338 HD12 ILE 47 HD12 ILE 47 14.646 -11.560 -17.499 339 HD13 ILE 47 HD13 ILE 47 14.178 -12.529 -16.101 340 H LYS 48 H LYS 48 13.352 -17.032 -16.455 341 HA LYS 48 HA LYS 48 11.522 -18.982 -17.607 342 HB2 LYS 48 HB2 LYS 48 13.698 -19.538 -16.475 343 HB3 LYS 48 HB3 LYS 48 12.959 -19.075 -14.919 344 HG2 LYS 48 HG2 LYS 48 11.262 -20.841 -15.223 345 HG3 LYS 48 HG3 LYS 48 12.081 -21.376 -16.702 346 HD2 LYS 48 HD2 LYS 48 13.361 -21.240 -13.909 347 HD3 LYS 48 HD3 LYS 48 12.676 -22.687 -14.665 348 HE2 LYS 48 HE2 LYS 48 14.291 -22.463 -16.539 349 HE3 LYS 48 HE3 LYS 48 15.047 -21.096 -15.679 350 HZ1 LYS 48 HZ1 LYS 48 14.790 -23.874 -14.560 351 HZ2 LYS 48 HZ2 LYS 48 15.678 -22.598 -13.930 352 HZ3 LYS 48 HZ3 LYS 48 16.145 -23.310 -15.363 353 H GLY 49 H GLY 49 11.463 -16.888 -14.709 354 HA2 GLY 49 HA2 GLY 49 8.658 -16.555 -14.600 355 HA3 GLY 49 HA3 GLY 49 9.047 -17.995 -13.611 356 H LEU 50 H LEU 50 8.160 -16.534 -11.875 357 HA LEU 50 HA LEU 50 10.430 -15.267 -10.556 358 HB2 LEU 50 HB2 LEU 50 9.359 -13.223 -9.966 359 HB3 LEU 50 HB3 LEU 50 9.412 -13.324 -11.729 360 HG LEU 50 HG LEU 50 6.958 -13.818 -10.060 361 HD11 LEU 50 HD11 LEU 50 6.281 -11.594 -10.802 362 HD12 LEU 50 HD12 LEU 50 7.805 -11.418 -11.665 363 HD13 LEU 50 HD13 LEU 50 7.764 -11.510 -9.911 364 HD21 LEU 50 HD21 LEU 50 7.376 -13.526 -13.036 365 HD22 LEU 50 HD22 LEU 50 5.779 -13.468 -12.221 366 HD23 LEU 50 HD23 LEU 50 6.738 -14.940 -12.174 367 H GLU 51 H GLU 51 10.075 -15.231 -8.245 368 HA GLU 51 HA GLU 51 7.640 -16.581 -7.223 369 HB2 GLU 51 HB2 GLU 51 8.811 -18.517 -6.398 370 HB3 GLU 51 HB3 GLU 51 9.061 -18.420 -8.139 371 HG2 GLU 51 HG2 GLU 51 11.324 -17.398 -7.778 372 HG3 GLU 51 HG3 GLU 51 11.100 -17.579 -6.041 373 H THR 52 H THR 52 7.882 -17.019 -4.839 374 HA THR 52 HA THR 52 9.859 -15.222 -3.470 375 HB THR 52 HB THR 52 8.174 -14.835 -1.701 376 HG1 THR 52 HG1 THR 52 6.861 -16.753 -2.513 377 HG21 THR 52 HG21 THR 52 6.995 -13.984 -4.324 378 HG22 THR 52 HG22 THR 52 8.482 -13.300 -3.642 379 HG23 THR 52 HG23 THR 52 6.944 -13.155 -2.767 380 HA PRO 53 HA PRO 53 10.054 -19.606 -2.047 381 HB2 PRO 53 HB2 PRO 53 12.717 -19.859 -1.475 382 HB3 PRO 53 HB3 PRO 53 12.084 -19.836 -3.153 383 HG2 PRO 53 HG2 PRO 53 13.236 -17.584 -1.486 384 HG3 PRO 53 HG3 PRO 53 13.734 -18.123 -3.101 385 HD2 PRO 53 HD2 PRO 53 12.031 -16.055 -2.736 386 HD3 PRO 53 HD3 PRO 53 11.801 -17.156 -4.124 387 H ASP 54 H ASP 54 11.136 -16.726 -0.337 388 HA ASP 54 HA ASP 54 11.520 -17.988 2.250 389 HB2 ASP 54 HB2 ASP 54 10.932 -15.145 1.309 390 HB3 ASP 54 HB3 ASP 54 11.152 -15.553 3.013 391 H ALA 55 H ALA 55 10.187 -17.915 4.032 392 HA ALA 55 HA ALA 55 7.443 -18.621 3.438 393 HB1 ALA 55 HB1 ALA 55 7.128 -18.688 5.841 394 HB2 ALA 55 HB2 ALA 55 8.684 -19.426 5.432 395 HB3 ALA 55 HB3 ALA 55 8.643 -17.793 6.131 396 H ASP 56 H ASP 56 8.985 -15.653 4.599 397 HA ASP 56 HA ASP 56 6.445 -14.163 4.459 398 HB2 ASP 56 HB2 ASP 56 9.373 -13.329 4.844 399 HB3 ASP 56 HB3 ASP 56 8.022 -12.145 4.771 400 H LYS 57 H LYS 57 5.961 -12.599 2.765 401 HA LYS 57 HA LYS 57 7.285 -13.379 0.196 402 HB2 LYS 57 HB2 LYS 57 4.608 -12.037 0.842 403 HB3 LYS 57 HB3 LYS 57 5.174 -12.438 -0.775 404 HG2 LYS 57 HG2 LYS 57 5.250 -14.844 -0.161 405 HG3 LYS 57 HG3 LYS 57 4.590 -14.425 1.423 406 HD2 LYS 57 HD2 LYS 57 2.565 -13.486 0.314 407 HD3 LYS 57 HD3 LYS 57 3.235 -14.019 -1.260 408 HE2 LYS 57 HE2 LYS 57 2.564 -15.845 1.062 409 HE3 LYS 57 HE3 LYS 57 1.570 -15.597 -0.405 410 HZ1 LYS 57 HZ1 LYS 57 2.955 -17.525 -0.660 411 HZ2 LYS 57 HZ2 LYS 57 4.313 -16.661 -0.377 412 HZ3 LYS 57 HZ3 LYS 57 3.422 -16.387 -1.727 413 H LYS 58 H LYS 58 8.565 -11.650 2.015 414 HA LYS 58 HA LYS 58 8.257 -8.895 1.030 415 HB2 LYS 58 HB2 LYS 58 10.265 -10.082 2.981 416 HB3 LYS 58 HB3 LYS 58 10.073 -8.352 2.581 417 HG2 LYS 58 HG2 LYS 58 7.709 -8.407 3.424 418 HG3 LYS 58 HG3 LYS 58 7.972 -10.095 3.950 419 HD2 LYS 58 HD2 LYS 58 9.586 -7.693 4.875 420 HD3 LYS 58 HD3 LYS 58 8.232 -8.391 5.775 421 HE2 LYS 58 HE2 LYS 58 9.419 -10.589 5.785 422 HE3 LYS 58 HE3 LYS 58 10.824 -9.810 5.025 423 HZ1 LYS 58 HZ1 LYS 58 9.589 -9.204 7.655 424 HZ2 LYS 58 HZ2 LYS 58 10.836 -8.338 6.996 425 HZ3 LYS 58 HZ3 LYS 58 11.073 -9.917 7.388 426 H THR 59 H THR 59 10.006 -11.643 0.164 427 HA THR 59 HA THR 59 11.883 -9.980 -1.415 428 HB THR 59 HB THR 59 12.454 -12.706 -0.248 429 HG1 THR 59 HG1 THR 59 13.693 -11.637 1.220 430 HG21 THR 59 HG21 THR 59 14.818 -12.163 -0.918 431 HG22 THR 59 HG22 THR 59 14.195 -10.776 -1.861 432 HG23 THR 59 HG23 THR 59 13.721 -12.460 -2.255 433 H LEU 60 H LEU 60 11.847 -10.255 -3.491 434 HA LEU 60 HA LEU 60 10.219 -12.476 -4.654 435 HB2 LEU 60 HB2 LEU 60 9.271 -10.204 -4.773 436 HB3 LEU 60 HB3 LEU 60 10.741 -9.641 -5.608 437 HG LEU 60 HG LEU 60 8.783 -9.766 -7.005 438 HD11 LEU 60 HD11 LEU 60 9.781 -10.617 -8.953 439 HD12 LEU 60 HD12 LEU 60 10.681 -11.861 -8.065 440 HD13 LEU 60 HD13 LEU 60 11.142 -10.196 -7.910 441 HD21 LEU 60 HD21 LEU 60 7.814 -11.753 -5.799 442 HD22 LEU 60 HD22 LEU 60 8.905 -12.793 -6.681 443 HD23 LEU 60 HD23 LEU 60 7.712 -11.846 -7.564 444 H VAL 61 H VAL 61 11.251 -13.796 -6.139 445 HA VAL 61 HA VAL 61 14.040 -12.983 -6.893 446 HB VAL 61 HB VAL 61 12.914 -15.766 -6.359 447 HG11 VAL 61 HG11 VAL 61 14.718 -15.788 -8.027 448 HG12 VAL 61 HG12 VAL 61 15.781 -14.928 -6.946 449 HG13 VAL 61 HG13 VAL 61 15.232 -16.556 -6.540 450 HG21 VAL 61 HG21 VAL 61 13.112 -14.552 -4.260 451 HG22 VAL 61 HG22 VAL 61 14.506 -15.656 -4.356 452 HG23 VAL 61 HG23 VAL 61 14.711 -13.911 -4.711 453 H VAL 62 H VAL 62 14.628 -12.986 -9.027 454 HA VAL 62 HA VAL 62 12.604 -14.021 -10.993 455 HB VAL 62 HB VAL 62 14.592 -11.703 -11.272 456 HG11 VAL 62 HG11 VAL 62 13.664 -11.306 -13.440 457 HG12 VAL 62 HG12 VAL 62 14.127 -13.005 -13.397 458 HG13 VAL 62 HG13 VAL 62 12.425 -12.524 -13.233 459 HG21 VAL 62 HG21 VAL 62 12.785 -10.976 -9.832 460 HG22 VAL 62 HG22 VAL 62 12.483 -10.299 -11.452 461 HG23 VAL 62 HG23 VAL 62 11.554 -11.731 -10.919 462 H THR 63 H THR 63 13.279 -15.528 -12.447 463 HA THR 63 HA THR 63 16.193 -16.153 -12.373 464 HB THR 63 HB THR 63 13.898 -18.117 -12.861 465 HG1 THR 63 HG1 THR 63 15.577 -17.980 -10.573 466 HG21 THR 63 HG21 THR 63 15.903 -18.881 -13.888 467 HG22 THR 63 HG22 THR 63 15.724 -19.765 -12.371 468 HG23 THR 63 HG23 THR 63 16.878 -18.462 -12.500 469 HA PRO 64 HA PRO 64 15.880 -15.099 -16.736 470 HB2 PRO 64 HB2 PRO 64 18.465 -15.433 -17.436 471 HB3 PRO 64 HB3 PRO 64 17.960 -14.081 -16.411 472 HG2 PRO 64 HG2 PRO 64 19.097 -16.704 -15.587 473 HG3 PRO 64 HG3 PRO 64 19.661 -15.058 -15.168 474 HD2 PRO 64 HD2 PRO 64 17.998 -16.465 -13.495 475 HD3 PRO 64 HD3 PRO 64 17.813 -14.687 -13.716 476 H ALA 65 H ALA 65 16.024 -16.288 -18.799 477 HA ALA 65 HA ALA 65 16.048 -19.248 -18.354 478 HB1 ALA 65 HB1 ALA 65 14.665 -17.791 -20.618 479 HB2 ALA 65 HB2 ALA 65 14.458 -19.473 -20.114 480 HB3 ALA 65 HB3 ALA 65 13.879 -18.156 -19.083 481 H ALA 66 H ALA 66 18.052 -16.962 -19.429 482 HA ALA 66 HA ALA 66 19.473 -18.802 -21.230 483 HB1 ALA 66 HB1 ALA 66 18.031 -17.385 -22.760 484 HB2 ALA 66 HB2 ALA 66 18.720 -15.965 -22.062 485 HB3 ALA 66 HB3 ALA 66 19.741 -17.062 -22.963 486 HA PRO 67 HA PRO 67 22.563 -17.082 -18.715 487 HB2 PRO 67 HB2 PRO 67 24.888 -17.197 -20.191 488 HB3 PRO 67 HB3 PRO 67 24.078 -18.655 -19.559 489 HG2 PRO 67 HG2 PRO 67 23.920 -17.390 -22.283 490 HG3 PRO 67 HG3 PRO 67 24.288 -19.075 -21.888 491 HD2 PRO 67 HD2 PRO 67 21.764 -18.296 -22.576 492 HD3 PRO 67 HD3 PRO 67 21.986 -19.508 -21.261 493 H LEU 68 H LEU 68 23.664 -15.156 -18.285 494 HA LEU 68 HA LEU 68 23.068 -12.864 -20.086 495 HB2 LEU 68 HB2 LEU 68 24.076 -12.915 -17.233 496 HB3 LEU 68 HB3 LEU 68 23.672 -11.455 -18.122 497 HG LEU 68 HG LEU 68 21.722 -13.672 -17.403 498 HD11 LEU 68 HD11 LEU 68 22.452 -12.477 -15.386 499 HD12 LEU 68 HD12 LEU 68 20.802 -11.965 -15.790 500 HD13 LEU 68 HD13 LEU 68 22.182 -10.932 -16.165 501 HD21 LEU 68 HD21 LEU 68 20.981 -12.499 -19.412 502 HD22 LEU 68 HD22 LEU 68 21.336 -10.940 -18.668 503 HD23 LEU 68 HD23 LEU 68 20.001 -11.950 -18.029 504 H ALA 69 H ALA 69 24.642 -11.487 -20.816 505 HA ALA 69 HA ALA 69 27.457 -12.449 -20.555 506 HB1 ALA 69 HB1 ALA 69 26.576 -12.918 -22.879 507 HB2 ALA 69 HB2 ALA 69 26.097 -11.239 -23.014 508 HB3 ALA 69 HB3 ALA 69 27.802 -11.645 -22.934 509 H ALA 70 H ALA 70 29.023 -10.554 -21.009 510 HA ALA 70 HA ALA 70 28.393 -8.418 -19.237 511 HB1 ALA 70 HB1 ALA 70 30.485 -7.401 -20.212 512 HB2 ALA 70 HB2 ALA 70 30.723 -9.069 -19.755 513 HB3 ALA 70 HB3 ALA 70 30.515 -8.645 -21.475 514 H GLY 71 H GLY 71 27.683 -6.265 -19.597 515 HA2 GLY 71 HA2 GLY 71 27.446 -4.709 -21.748 516 HA3 GLY 71 HA3 GLY 71 26.191 -5.927 -22.159 517 H ASN 72 H ASN 72 25.009 -3.748 -22.119 518 HA ASN 72 HA ASN 72 24.208 -2.837 -19.393 519 HB2 ASN 72 HB2 ASN 72 24.766 -1.214 -21.250 520 HB3 ASN 72 HB3 ASN 72 23.378 -1.818 -22.139 521 HD21 ASN 72 HD21 ASN 72 21.862 -0.330 -22.070 522 HD22 ASN 72 HD22 ASN 72 21.284 0.496 -20.638 523 H TYR 73 H TYR 73 22.271 -3.232 -18.456 524 HA TYR 73 HA TYR 73 20.163 -4.443 -20.172 525 HB2 TYR 73 HB2 TYR 73 20.966 -5.354 -17.377 526 HB3 TYR 73 HB3 TYR 73 19.554 -5.901 -18.264 527 HD1 TYR 73 HD1 TYR 73 19.643 -7.658 -19.892 528 HD2 TYR 73 HD2 TYR 73 23.250 -5.905 -18.409 529 HE1 TYR 73 HE1 TYR 73 20.943 -9.506 -20.940 530 HE2 TYR 73 HE2 TYR 73 24.562 -7.733 -19.479 531 HH TYR 73 HH TYR 73 24.533 -9.564 -20.673 532 H LYS 74 H LYS 74 18.089 -4.110 -19.633 533 HA LYS 74 HA LYS 74 17.498 -1.933 -17.642 534 HB2 LYS 74 HB2 LYS 74 17.127 -1.260 -20.017 535 HB3 LYS 74 HB3 LYS 74 16.060 -2.653 -20.198 536 HG2 LYS 74 HG2 LYS 74 14.596 -0.809 -19.965 537 HG3 LYS 74 HG3 LYS 74 14.522 -1.736 -18.486 538 HD2 LYS 74 HD2 LYS 74 14.527 0.441 -17.740 539 HD3 LYS 74 HD3 LYS 74 16.199 -0.090 -17.514 540 HE2 LYS 74 HE2 LYS 74 16.196 2.147 -18.445 541 HE3 LYS 74 HE3 LYS 74 16.714 1.061 -19.720 542 HZ1 LYS 74 HZ1 LYS 74 13.930 2.004 -19.372 543 HZ2 LYS 74 HZ2 LYS 74 14.450 1.098 -20.630 544 HZ3 LYS 74 HZ3 LYS 74 14.979 2.657 -20.432 545 H VAL 75 H VAL 75 16.072 -2.489 -16.050 546 HA VAL 75 HA VAL 75 14.407 -4.938 -16.487 547 HB VAL 75 HB VAL 75 15.503 -3.785 -13.863 548 HG11 VAL 75 HG11 VAL 75 13.800 -6.311 -14.218 549 HG12 VAL 75 HG12 VAL 75 14.360 -5.621 -12.710 550 HG13 VAL 75 HG13 VAL 75 13.150 -4.778 -13.683 551 HG21 VAL 75 HG21 VAL 75 16.839 -5.750 -13.715 552 HG22 VAL 75 HG22 VAL 75 16.027 -6.515 -15.103 553 HG23 VAL 75 HG23 VAL 75 17.093 -5.121 -15.349 554 H VAL 76 H VAL 76 12.296 -4.556 -16.580 555 HA VAL 76 HA VAL 76 11.247 -2.022 -15.386 556 HB VAL 76 HB VAL 76 10.239 -3.451 -17.863 557 HG11 VAL 76 HG11 VAL 76 8.371 -2.480 -16.654 558 HG12 VAL 76 HG12 VAL 76 9.283 -0.937 -16.397 559 HG13 VAL 76 HG13 VAL 76 8.721 -1.427 -18.028 560 HG21 VAL 76 HG21 VAL 76 12.314 -2.250 -18.305 561 HG22 VAL 76 HG22 VAL 76 10.962 -1.410 -19.059 562 HG23 VAL 76 HG23 VAL 76 11.645 -0.772 -17.523 563 H TRP 77 H TRP 77 9.679 -2.381 -13.773 564 HA TRP 77 HA TRP 77 8.490 -5.066 -13.771 565 HB2 TRP 77 HB2 TRP 77 9.069 -5.385 -11.390 566 HB3 TRP 77 HB3 TRP 77 10.451 -5.347 -12.425 567 HD1 TRP 77 HD1 TRP 77 12.173 -3.400 -12.153 568 HE1 TRP 77 HE1 TRP 77 12.609 -1.564 -10.458 569 HE3 TRP 77 HE3 TRP 77 7.794 -3.795 -9.649 570 HZ2 TRP 77 HZ2 TRP 77 11.133 -0.316 -8.331 571 HZ3 TRP 77 HZ3 TRP 77 7.354 -2.219 -7.694 572 HH2 TRP 77 HH2 TRP 77 8.986 -0.453 -7.140 573 H ASN 78 H ASN 78 6.620 -5.345 -12.705 574 HA ASN 78 HA ASN 78 5.253 -2.940 -11.649 575 HB2 ASN 78 HB2 ASN 78 4.117 -5.249 -13.274 576 HB3 ASN 78 HB3 ASN 78 3.155 -3.948 -12.535 577 HD21 ASN 78 HD21 ASN 78 2.469 -2.532 -14.047 578 HD22 ASN 78 HD22 ASN 78 3.399 -1.978 -15.420 579 H ALA 79 H ALA 79 4.760 -3.378 -9.439 580 HA ALA 79 HA ALA 79 4.754 -6.264 -8.646 581 HB1 ALA 79 HB1 ALA 79 5.857 -5.609 -6.573 582 HB2 ALA 79 HB2 ALA 79 6.858 -5.190 -7.951 583 HB3 ALA 79 HB3 ALA 79 5.966 -3.938 -7.097 584 H VAL 80 H VAL 80 3.189 -6.826 -7.095 585 HA VAL 80 HA VAL 80 1.306 -4.653 -6.411 586 HB VAL 80 HB VAL 80 0.627 -7.536 -7.194 587 HG11 VAL 80 HG11 VAL 80 -1.160 -5.243 -6.440 588 HG12 VAL 80 HG12 VAL 80 -1.705 -6.722 -7.258 589 HG13 VAL 80 HG13 VAL 80 -0.932 -6.784 -5.614 590 HG21 VAL 80 HG21 VAL 80 -0.558 -6.207 -9.156 591 HG22 VAL 80 HG22 VAL 80 0.520 -4.873 -8.709 592 HG23 VAL 80 HG23 VAL 80 1.183 -6.434 -9.261 593 H SER 81 H SER 81 0.750 -4.505 -4.334 594 HA SER 81 HA SER 81 2.218 -6.012 -2.390 595 HB2 SER 81 HB2 SER 81 0.993 -4.696 -0.767 596 HB3 SER 81 HB3 SER 81 1.511 -3.600 -2.052 597 HG SER 81 HG SER 81 -0.750 -3.602 -1.255 598 H VAL 82 H VAL 82 1.103 -7.294 -0.598 599 HA VAL 82 HA VAL 82 -0.745 -9.161 -1.866 600 HB VAL 82 HB VAL 82 -0.991 -10.245 0.386 601 HG11 VAL 82 HG11 VAL 82 1.349 -10.847 0.821 602 HG12 VAL 82 HG12 VAL 82 0.938 -10.915 -0.895 603 HG13 VAL 82 HG13 VAL 82 1.912 -9.534 -0.278 604 HG21 VAL 82 HG21 VAL 82 -0.965 -8.169 1.732 605 HG22 VAL 82 HG22 VAL 82 0.231 -9.317 2.277 606 HG23 VAL 82 HG23 VAL 82 0.752 -7.940 1.348 607 H ASP 83 H ASP 83 -1.145 -6.095 -0.490 608 HA ASP 83 HA ASP 83 -3.978 -6.624 0.188 609 HB2 ASP 83 HB2 ASP 83 -2.480 -5.052 1.528 610 HB3 ASP 83 HB3 ASP 83 -2.603 -3.931 0.189 611 H THR 84 H THR 84 -2.761 -6.908 -2.523 612 HA THR 84 HA THR 84 -3.221 -6.702 -4.644 613 HB THR 84 HB THR 84 -5.530 -6.248 -5.412 614 HG1 THR 84 HG1 THR 84 -5.662 -5.030 -2.834 615 HG21 THR 84 HG21 THR 84 -5.628 -7.635 -2.722 616 HG22 THR 84 HG22 THR 84 -4.955 -8.389 -4.202 617 HG23 THR 84 HG23 THR 84 -6.682 -7.908 -4.125 618 H HIS 85 H HIS 85 -2.598 -3.767 -3.189 619 HA HIS 85 HA HIS 85 -3.450 -2.119 -5.424 620 HB2 HIS 85 HB2 HIS 85 -3.223 -1.347 -3.042 621 HB3 HIS 85 HB3 HIS 85 -1.442 -1.394 -3.257 622 HD1 HIS 85 HD1 HIS 85 -0.794 0.310 -5.614 623 HD2 HIS 85 HD2 HIS 85 -4.292 1.027 -3.424 624 HE1 HIS 85 HE1 HIS 85 -1.575 2.667 -6.096 625 H LYS 86 H LYS 86 -2.300 -1.622 -7.292 626 HA LYS 86 HA LYS 86 0.204 -2.909 -7.889 627 HB2 LYS 86 HB2 LYS 86 -1.301 -0.710 -9.340 628 HB3 LYS 86 HB3 LYS 86 0.098 -1.558 -9.933 629 HG2 LYS 86 HG2 LYS 86 -1.161 -3.717 -9.843 630 HG3 LYS 86 HG3 LYS 86 -2.586 -2.799 -9.314 631 HD2 LYS 86 HD2 LYS 86 -2.507 -1.423 -11.387 632 HD3 LYS 86 HD3 LYS 86 -1.085 -2.364 -11.931 633 HE2 LYS 86 HE2 LYS 86 -2.464 -4.444 -11.937 634 HE3 LYS 86 HE3 LYS 86 -3.873 -3.502 -11.414 635 HZ1 LYS 86 HZ1 LYS 86 -3.685 -2.172 -13.440 636 HZ2 LYS 86 HZ2 LYS 86 -3.846 -3.796 -13.794 637 HZ3 LYS 86 HZ3 LYS 86 -2.363 -3.088 -13.932 638 H SER 87 H SER 87 2.213 -2.074 -8.424 639 HA SER 87 HA SER 87 2.796 0.789 -7.937 640 HB2 SER 87 HB2 SER 87 4.242 -1.533 -6.560 641 HB3 SER 87 HB3 SER 87 4.769 0.163 -6.508 642 HG SER 87 HG SER 87 2.592 0.639 -5.611 643 H ASN 88 H ASN 88 4.974 1.250 -9.156 644 HA ASN 88 HA ASN 88 6.051 -1.022 -10.700 645 HB2 ASN 88 HB2 ASN 88 5.760 0.047 -12.902 646 HB3 ASN 88 HB3 ASN 88 4.192 -0.174 -12.120 647 HD21 ASN 88 HD21 ASN 88 5.747 1.893 -13.998 648 HD22 ASN 88 HD22 ASN 88 5.074 3.381 -13.391 649 H GLY 89 H GLY 89 7.976 -0.367 -12.106 650 HA2 GLY 89 HA2 GLY 89 9.186 2.173 -11.828 651 HA3 GLY 89 HA3 GLY 89 9.843 1.124 -10.572 652 H GLU 90 H GLU 90 11.718 1.948 -12.276 653 HA GLU 90 HA GLU 90 12.426 -0.523 -13.726 654 HB2 GLU 90 HB2 GLU 90 12.832 0.606 -15.900 655 HB3 GLU 90 HB3 GLU 90 11.130 0.750 -15.445 656 HG2 GLU 90 HG2 GLU 90 11.471 3.084 -14.772 657 HG3 GLU 90 HG3 GLU 90 13.179 2.961 -15.264 658 H TYR 91 H TYR 91 14.724 -0.665 -14.199 659 HA TYR 91 HA TYR 91 16.351 1.615 -13.430 660 HB2 TYR 91 HB2 TYR 91 17.623 0.402 -11.701 661 HB3 TYR 91 HB3 TYR 91 15.949 0.594 -11.211 662 HD1 TYR 91 HD1 TYR 91 14.498 -1.371 -10.978 663 HD2 TYR 91 HD2 TYR 91 18.558 -1.802 -12.220 664 HE1 TYR 91 HE1 TYR 91 14.418 -3.888 -10.478 665 HE2 TYR 91 HE2 TYR 91 18.471 -4.233 -11.730 666 HH TYR 91 HH TYR 91 15.589 -5.852 -10.452 667 H SER 92 H SER 92 18.708 1.075 -13.860 668 HA SER 92 HA SER 92 19.042 -1.220 -15.726 669 HB2 SER 92 HB2 SER 92 20.010 1.649 -16.145 670 HB3 SER 92 HB3 SER 92 20.388 0.237 -17.192 671 HG SER 92 HG SER 92 17.921 1.579 -16.748 672 H PHE 93 H PHE 93 21.199 -1.939 -15.980 673 HA PHE 93 HA PHE 93 23.292 -0.926 -14.198 674 HB2 PHE 93 HB2 PHE 93 23.495 -2.906 -12.813 675 HB3 PHE 93 HB3 PHE 93 21.847 -2.302 -12.666 676 HD1 PHE 93 HD1 PHE 93 19.971 -3.577 -13.465 677 HD2 PHE 93 HD2 PHE 93 23.977 -5.027 -14.104 678 HE1 PHE 93 HE1 PHE 93 19.093 -5.852 -14.120 679 HE2 PHE 93 HE2 PHE 93 23.106 -7.237 -14.738 680 HZ PHE 93 HZ PHE 93 20.687 -7.663 -14.757 681 H LYS 94 H LYS 94 25.317 -2.379 -14.461 682 HA LYS 94 HA LYS 94 25.310 -3.438 -17.247 683 HB2 LYS 94 HB2 LYS 94 26.515 -1.286 -16.877 684 HB3 LYS 94 HB3 LYS 94 27.565 -2.096 -15.688 685 HG2 LYS 94 HG2 LYS 94 28.424 -3.557 -17.542 686 HG3 LYS 94 HG3 LYS 94 27.415 -2.650 -18.718 687 HD2 LYS 94 HD2 LYS 94 28.551 -0.528 -18.011 688 HD3 LYS 94 HD3 LYS 94 29.608 -1.504 -16.947 689 HE2 LYS 94 HE2 LYS 94 30.421 -2.771 -18.985 690 HE3 LYS 94 HE3 LYS 94 29.420 -1.717 -20.012 691 HZ1 LYS 94 HZ1 LYS 94 31.665 -0.926 -18.314 692 HZ2 LYS 94 HZ2 LYS 94 30.646 0.175 -18.969 693 HZ3 LYS 94 HZ3 LYS 94 31.566 -0.791 -19.929 694 H VAL 95 H VAL 95 26.067 -5.540 -17.521 695 HA VAL 95 HA VAL 95 27.014 -6.985 -15.112 696 HB VAL 95 HB VAL 95 26.575 -7.994 -17.947 697 HG11 VAL 95 HG11 VAL 95 28.241 -9.360 -16.836 698 HG12 VAL 95 HG12 VAL 95 27.208 -9.520 -15.421 699 HG13 VAL 95 HG13 VAL 95 26.700 -10.212 -16.955 700 HG21 VAL 95 HG21 VAL 95 24.493 -7.272 -16.764 701 HG22 VAL 95 HG22 VAL 95 24.576 -9.017 -17.028 702 HG23 VAL 95 HG23 VAL 95 24.893 -8.364 -15.431 703 H GLY 96 H GLY 96 29.142 -7.334 -14.692 704 HA2 GLY 96 HA2 GLY 96 31.084 -7.803 -16.626 705 HA3 GLY 96 HA3 GLY 96 31.266 -6.106 -16.150 706 H GLN 97 H GLN 97 32.542 -9.056 -15.587 707 HA GLN 97 HA GLN 97 32.451 -9.243 -12.707 708 HB2 GLN 97 HB2 GLN 97 33.981 -11.086 -12.975 709 HB3 GLN 97 HB3 GLN 97 32.723 -11.170 -14.266 710 HG2 GLN 97 HG2 GLN 97 34.293 -10.205 -15.876 711 HG3 GLN 97 HG3 GLN 97 35.504 -10.099 -14.628 712 HE21 GLN 97 HE21 GLN 97 36.992 -11.518 -15.210 713 HE22 GLN 97 HE22 GLN 97 36.671 -13.174 -15.594 Start of MODEL 3 1 H1 HIS 1 H1 HIS 1 0.562 0.830 -0.844 2 H2 HIS 1 H2 HIS 1 1.301 -0.467 -0.193 3 H3 HIS 1 H3 HIS 1 2.016 1.008 -0.147 4 HA HIS 1 HA HIS 1 1.522 -0.628 -2.578 5 HB2 HIS 1 HB2 HIS 1 2.667 2.191 -2.193 6 HB3 HIS 1 HB3 HIS 1 2.817 1.264 -3.726 7 HD1 HIS 1 HD1 HIS 1 0.224 3.060 -1.506 8 HD2 HIS 1 HD2 HIS 1 0.522 1.232 -5.243 9 HE1 HIS 1 HE1 HIS 1 -1.890 3.613 -2.775 10 H ALA 2 H ALA 2 3.578 -1.227 -3.652 11 HA ALA 2 HA ALA 2 5.619 -1.884 -1.527 12 HB1 ALA 2 HB1 ALA 2 4.476 -3.769 -2.752 13 HB2 ALA 2 HB2 ALA 2 5.143 -3.141 -4.284 14 HB3 ALA 2 HB3 ALA 2 6.211 -3.705 -2.990 15 H HIS 3 H HIS 3 7.370 -0.554 -1.509 16 HA HIS 3 HA HIS 3 8.488 0.247 -4.145 17 HB2 HIS 3 HB2 HIS 3 8.571 1.784 -1.493 18 HB3 HIS 3 HB3 HIS 3 9.386 2.272 -3.003 19 HD1 HIS 3 HD1 HIS 3 7.339 4.159 -1.700 20 HD2 HIS 3 HD2 HIS 3 6.375 1.358 -4.627 21 HE1 HIS 3 HE1 HIS 3 5.163 4.904 -2.776 22 H LEU 4 H LEU 4 10.743 0.124 -4.274 23 HA LEU 4 HA LEU 4 11.921 -2.183 -3.043 24 HB2 LEU 4 HB2 LEU 4 12.272 -1.439 -5.396 25 HB3 LEU 4 HB3 LEU 4 13.120 -0.071 -4.795 26 HG LEU 4 HG LEU 4 14.831 -1.676 -3.873 27 HD11 LEU 4 HD11 LEU 4 13.580 -3.733 -3.716 28 HD12 LEU 4 HD12 LEU 4 14.825 -3.960 -4.938 29 HD13 LEU 4 HD13 LEU 4 13.152 -3.664 -5.452 30 HD21 LEU 4 HD21 LEU 4 14.216 -1.798 -6.863 31 HD22 LEU 4 HD22 LEU 4 15.844 -2.058 -6.074 32 HD23 LEU 4 HD23 LEU 4 15.054 -0.488 -6.004 33 H LYS 5 H LYS 5 13.374 -2.378 -1.332 34 HA LYS 5 HA LYS 5 14.497 0.211 -0.329 35 HB2 LYS 5 HB2 LYS 5 14.191 -2.432 1.172 36 HB3 LYS 5 HB3 LYS 5 14.913 -0.926 1.808 37 HG2 LYS 5 HG2 LYS 5 12.666 0.164 1.430 38 HG3 LYS 5 HG3 LYS 5 11.989 -1.442 1.114 39 HD2 LYS 5 HD2 LYS 5 13.469 -0.640 3.653 40 HD3 LYS 5 HD3 LYS 5 11.711 -0.742 3.492 41 HE2 LYS 5 HE2 LYS 5 11.967 -3.221 3.019 42 HE3 LYS 5 HE3 LYS 5 13.720 -3.010 3.252 43 HZ1 LYS 5 HZ1 LYS 5 11.709 -2.363 5.293 44 HZ2 LYS 5 HZ2 LYS 5 13.331 -2.351 5.465 45 HZ3 LYS 5 HZ3 LYS 5 12.585 -3.795 5.240 46 H SER 6 H SER 6 15.346 -3.097 -1.302 47 HA SER 6 HA SER 6 18.156 -2.351 -1.569 48 HB2 SER 6 HB2 SER 6 18.078 -2.971 0.775 49 HB3 SER 6 HB3 SER 6 17.330 -4.530 0.345 50 HG SER 6 HG SER 6 19.581 -4.709 0.612 51 H ALA 7 H ALA 7 19.295 -4.073 -2.759 52 HA ALA 7 HA ALA 7 17.627 -6.159 -4.033 53 HB1 ALA 7 HB1 ALA 7 18.116 -5.205 -6.329 54 HB2 ALA 7 HB2 ALA 7 17.097 -4.147 -5.335 55 HB3 ALA 7 HB3 ALA 7 18.811 -3.756 -5.563 56 H THR 8 H THR 8 18.718 -7.420 -5.542 57 HA THR 8 HA THR 8 21.591 -8.019 -4.995 58 HB THR 8 HB THR 8 19.436 -9.354 -6.771 59 HG1 THR 8 HG1 THR 8 19.064 -9.288 -4.508 60 HG21 THR 8 HG21 THR 8 20.829 -11.379 -6.535 61 HG22 THR 8 HG22 THR 8 22.085 -10.360 -5.872 62 HG23 THR 8 HG23 THR 8 21.558 -10.129 -7.560 63 HA PRO 9 HA PRO 9 23.648 -5.563 -8.115 64 HB2 PRO 9 HB2 PRO 9 22.397 -7.004 -10.428 65 HB3 PRO 9 HB3 PRO 9 24.071 -6.483 -10.114 66 HG2 PRO 9 HG2 PRO 9 22.771 -9.087 -9.128 67 HG3 PRO 9 HG3 PRO 9 24.503 -8.727 -9.173 68 HD2 PRO 9 HD2 PRO 9 23.190 -8.812 -6.768 69 HD3 PRO 9 HD3 PRO 9 24.322 -7.449 -7.074 70 H ALA 10 H ALA 10 22.703 -4.016 -7.145 71 HA ALA 10 HA ALA 10 20.264 -2.745 -7.728 72 HB1 ALA 10 HB1 ALA 10 21.843 -2.545 -5.697 73 HB2 ALA 10 HB2 ALA 10 22.778 -1.395 -6.680 74 HB3 ALA 10 HB3 ALA 10 21.072 -1.087 -6.284 75 H ALA 11 H ALA 11 20.181 -0.443 -8.430 76 HA ALA 11 HA ALA 11 20.928 -0.285 -11.110 77 HB1 ALA 11 HB1 ALA 11 19.101 1.006 -9.937 78 HB2 ALA 11 HB2 ALA 11 20.382 2.037 -9.273 79 HB3 ALA 11 HB3 ALA 11 20.091 1.995 -11.025 80 H ASP 12 H ASP 12 22.392 0.810 -12.283 81 HA ASP 12 HA ASP 12 24.427 1.528 -12.937 82 HB2 ASP 12 HB2 ASP 12 23.680 3.525 -11.385 83 HB3 ASP 12 HB3 ASP 12 24.820 2.861 -10.222 84 H SER 13 H SER 13 24.211 -0.912 -10.947 85 HA SER 13 HA SER 13 26.938 -1.100 -9.930 86 HB2 SER 13 HB2 SER 13 24.792 -3.157 -10.066 87 HB3 SER 13 HB3 SER 13 26.347 -3.342 -9.232 88 HG SER 13 HG SER 13 24.135 -1.748 -8.600 89 H THR 14 H THR 14 28.603 -2.518 -10.657 90 HA THR 14 HA THR 14 28.073 -3.785 -13.297 91 HB THR 14 HB THR 14 30.748 -2.834 -12.289 92 HG1 THR 14 HG1 THR 14 30.297 -0.991 -13.221 93 HG21 THR 14 HG21 THR 14 31.102 -4.602 -13.818 94 HG22 THR 14 HG22 THR 14 31.292 -3.084 -14.741 95 HG23 THR 14 HG23 THR 14 29.790 -4.015 -14.884 96 H VAL 15 H VAL 15 27.847 -5.995 -12.976 97 HA VAL 15 HA VAL 15 29.668 -7.310 -10.995 98 HB VAL 15 HB VAL 15 27.691 -8.716 -10.301 99 HG11 VAL 15 HG11 VAL 15 27.275 -5.717 -10.037 100 HG12 VAL 15 HG12 VAL 15 26.433 -6.919 -9.078 101 HG13 VAL 15 HG13 VAL 15 28.187 -6.773 -8.947 102 HG21 VAL 15 HG21 VAL 15 26.443 -8.375 -12.559 103 HG22 VAL 15 HG22 VAL 15 25.457 -8.289 -11.117 104 HG23 VAL 15 HG23 VAL 15 25.937 -6.780 -11.919 105 H ALA 16 H ALA 16 29.765 -9.694 -11.206 106 HA ALA 16 HA ALA 16 29.927 -10.626 -13.960 107 HB1 ALA 16 HB1 ALA 16 31.379 -11.648 -12.325 108 HB2 ALA 16 HB2 ALA 16 29.988 -12.053 -11.290 109 HB3 ALA 16 HB3 ALA 16 30.238 -12.842 -12.870 110 H ALA 17 H ALA 17 28.273 -12.332 -14.794 111 HA ALA 17 HA ALA 17 25.652 -11.371 -14.246 112 HB1 ALA 17 HB1 ALA 17 26.550 -14.029 -15.490 113 HB2 ALA 17 HB2 ALA 17 24.882 -13.359 -15.554 114 HB3 ALA 17 HB3 ALA 17 26.241 -12.488 -16.343 115 HA PRO 18 HA PRO 18 24.964 -13.665 -10.474 116 HB2 PRO 18 HB2 PRO 18 22.479 -12.829 -9.907 117 HB3 PRO 18 HB3 PRO 18 23.880 -11.737 -9.753 118 HG2 PRO 18 HG2 PRO 18 21.953 -12.111 -12.024 119 HG3 PRO 18 HG3 PRO 18 22.382 -10.577 -11.226 120 HD2 PRO 18 HD2 PRO 18 23.539 -11.316 -13.514 121 HD3 PRO 18 HD3 PRO 18 24.493 -10.518 -12.232 122 H ALA 19 H ALA 19 23.654 -15.602 -9.746 123 HA ALA 19 HA ALA 19 22.694 -17.072 -12.054 124 HB1 ALA 19 HB1 ALA 19 21.977 -18.798 -10.403 125 HB2 ALA 19 HB2 ALA 19 23.645 -18.263 -10.056 126 HB3 ALA 19 HB3 ALA 19 22.270 -17.681 -9.065 127 H ASP 20 H ASP 20 21.173 -15.185 -9.432 128 HA ASP 20 HA ASP 20 18.693 -14.842 -10.988 129 HB2 ASP 20 HB2 ASP 20 17.224 -15.547 -9.159 130 HB3 ASP 20 HB3 ASP 20 18.240 -16.902 -9.629 131 H LEU 21 H LEU 21 17.362 -13.036 -9.912 132 HA LEU 21 HA LEU 21 19.184 -11.294 -8.252 133 HB2 LEU 21 HB2 LEU 21 16.998 -10.397 -10.205 134 HB3 LEU 21 HB3 LEU 21 17.957 -9.379 -9.135 135 HG LEU 21 HG LEU 21 19.998 -9.907 -10.442 136 HD11 LEU 21 HD11 LEU 21 19.438 -11.997 -11.542 137 HD12 LEU 21 HD12 LEU 21 19.606 -10.760 -12.776 138 HD13 LEU 21 HD13 LEU 21 17.993 -11.276 -12.294 139 HD21 LEU 21 HD21 LEU 21 17.677 -8.656 -11.913 140 HD22 LEU 21 HD22 LEU 21 19.378 -8.495 -12.394 141 HD23 LEU 21 HD23 LEU 21 18.834 -7.841 -10.840 142 H ARG 22 H ARG 22 18.334 -10.662 -6.285 143 HA ARG 22 HA ARG 22 15.426 -11.218 -5.783 144 HB2 ARG 22 HB2 ARG 22 17.736 -11.288 -3.822 145 HB3 ARG 22 HB3 ARG 22 16.003 -11.412 -3.395 146 HG2 ARG 22 HG2 ARG 22 15.739 -13.405 -4.761 147 HG3 ARG 22 HG3 ARG 22 17.519 -13.379 -5.121 148 HD2 ARG 22 HD2 ARG 22 17.999 -13.626 -2.706 149 HD3 ARG 22 HD3 ARG 22 16.256 -13.558 -2.355 150 HE ARG 22 HE ARG 22 15.929 -15.694 -3.022 151 HH11 ARG 22 HH11 ARG 22 19.316 -14.914 -3.698 152 HH12 ARG 22 HH12 ARG 22 19.617 -16.524 -4.320 153 HH21 ARG 22 HH21 ARG 22 16.455 -17.687 -3.797 154 HH22 ARG 22 HH22 ARG 22 18.094 -18.063 -4.255 155 H LEU 23 H LEU 23 14.178 -9.677 -5.197 156 HA LEU 23 HA LEU 23 15.404 -7.019 -4.670 157 HB2 LEU 23 HB2 LEU 23 12.683 -7.727 -5.881 158 HB3 LEU 23 HB3 LEU 23 13.249 -6.128 -5.522 159 HG LEU 23 HG LEU 23 14.936 -6.241 -7.292 160 HD11 LEU 23 HD11 LEU 23 13.695 -8.971 -7.902 161 HD12 LEU 23 HD12 LEU 23 15.352 -8.601 -7.620 162 HD13 LEU 23 HD13 LEU 23 14.555 -8.024 -9.126 163 HD21 LEU 23 HD21 LEU 23 13.293 -5.986 -9.083 164 HD22 LEU 23 HD22 LEU 23 12.650 -5.264 -7.582 165 HD23 LEU 23 HD23 LEU 23 12.051 -6.814 -8.158 166 H THR 24 H THR 24 14.711 -5.980 -2.739 167 HA THR 24 HA THR 24 12.707 -7.492 -1.109 168 HB THR 24 HB THR 24 15.014 -5.758 -0.089 169 HG1 THR 24 HG1 THR 24 15.737 -7.781 -0.864 170 HG21 THR 24 HG21 THR 24 13.107 -5.652 1.416 171 HG22 THR 24 HG22 THR 24 14.327 -6.753 2.116 172 HG23 THR 24 HG23 THR 24 12.872 -7.416 1.355 173 H PHE 25 H PHE 25 10.865 -6.414 -0.744 174 HA PHE 25 HA PHE 25 10.858 -3.453 -1.250 175 HB2 PHE 25 HB2 PHE 25 8.546 -5.461 -1.484 176 HB3 PHE 25 HB3 PHE 25 8.457 -3.735 -1.826 177 HD1 PHE 25 HD1 PHE 25 9.403 -2.810 -3.885 178 HD2 PHE 25 HD2 PHE 25 9.623 -7.021 -3.069 179 HE1 PHE 25 HE1 PHE 25 10.003 -3.199 -6.278 180 HE2 PHE 25 HE2 PHE 25 10.254 -7.460 -5.452 181 HZ PHE 25 HZ PHE 25 10.384 -5.511 -7.089 182 H SER 26 H SER 26 9.535 -2.142 0.050 183 HA SER 26 HA SER 26 9.711 -2.719 2.870 184 HB2 SER 26 HB2 SER 26 9.805 -0.474 1.816 185 HB3 SER 26 HB3 SER 26 8.102 -0.598 1.383 186 HG SER 26 HG SER 26 7.562 -0.237 3.445 187 H GLU 27 H GLU 27 7.157 -3.279 0.537 188 HA GLU 27 HA GLU 27 5.324 -4.345 2.662 189 HB2 GLU 27 HB2 GLU 27 4.177 -2.442 1.940 190 HB3 GLU 27 HB3 GLU 27 4.894 -2.535 0.359 191 HG2 GLU 27 HG2 GLU 27 2.667 -2.954 -0.009 192 HG3 GLU 27 HG3 GLU 27 3.433 -4.533 -0.127 193 H GLY 28 H GLY 28 4.437 -6.407 2.067 194 HA2 GLY 28 HA2 GLY 28 6.124 -7.827 0.257 195 HA3 GLY 28 HA3 GLY 28 4.712 -8.487 1.083 196 H VAL 29 H VAL 29 5.554 -9.114 -1.613 197 HA VAL 29 HA VAL 29 3.275 -7.896 -3.132 198 HB VAL 29 HB VAL 29 4.644 -8.182 -5.179 199 HG11 VAL 29 HG11 VAL 29 5.985 -6.493 -3.016 200 HG12 VAL 29 HG12 VAL 29 6.323 -6.376 -4.747 201 HG13 VAL 29 HG13 VAL 29 4.697 -5.967 -4.125 202 HG21 VAL 29 HG21 VAL 29 6.113 -10.046 -4.360 203 HG22 VAL 29 HG22 VAL 29 7.050 -8.715 -5.059 204 HG23 VAL 29 HG23 VAL 29 6.954 -8.895 -3.259 205 H GLU 30 H GLU 30 2.334 -9.203 -4.857 206 HA GLU 30 HA GLU 30 2.282 -12.064 -4.086 207 HB2 GLU 30 HB2 GLU 30 0.577 -10.490 -6.064 208 HB3 GLU 30 HB3 GLU 30 0.332 -12.191 -5.698 209 HG2 GLU 30 HG2 GLU 30 0.083 -9.969 -3.604 210 HG3 GLU 30 HG3 GLU 30 -1.271 -10.560 -4.540 211 H ALA 31 H ALA 31 3.779 -13.332 -5.209 212 HA ALA 31 HA ALA 31 5.183 -12.391 -7.460 213 HB1 ALA 31 HB1 ALA 31 5.757 -14.936 -7.688 214 HB2 ALA 31 HB2 ALA 31 6.264 -14.085 -6.209 215 HB3 ALA 31 HB3 ALA 31 4.804 -15.116 -6.186 216 H THR 32 H THR 32 2.190 -14.266 -7.274 217 HA THR 32 HA THR 32 2.136 -15.288 -9.911 218 HB THR 32 HB THR 32 -0.187 -14.363 -8.132 219 HG1 THR 32 HG1 THR 32 -0.052 -16.441 -7.256 220 HG21 THR 32 HG21 THR 32 -1.391 -16.345 -9.203 221 HG22 THR 32 HG22 THR 32 -0.045 -16.443 -10.365 222 HG23 THR 32 HG23 THR 32 -1.048 -15.010 -10.281 223 H PHE 33 H PHE 33 1.218 -12.069 -8.666 224 HA PHE 33 HA PHE 33 0.218 -11.395 -11.364 225 HB2 PHE 33 HB2 PHE 33 -0.289 -10.004 -8.731 226 HB3 PHE 33 HB3 PHE 33 -1.067 -9.598 -10.277 227 HD1 PHE 33 HD1 PHE 33 -2.366 -11.591 -11.422 228 HD2 PHE 33 HD2 PHE 33 -1.318 -11.410 -7.242 229 HE1 PHE 33 HE1 PHE 33 -4.090 -13.369 -10.894 230 HE2 PHE 33 HE2 PHE 33 -2.999 -13.155 -6.727 231 HZ PHE 33 HZ PHE 33 -4.382 -14.131 -8.546 232 H THR 34 H THR 34 2.981 -11.015 -9.585 233 HA THR 34 HA THR 34 3.627 -8.267 -10.355 234 HB THR 34 HB THR 34 5.456 -10.538 -9.493 235 HG1 THR 34 HG1 THR 34 4.079 -9.955 -7.763 236 HG21 THR 34 HG21 THR 34 6.827 -8.844 -10.566 237 HG22 THR 34 HG22 THR 34 7.026 -8.675 -8.817 238 HG23 THR 34 HG23 THR 34 5.994 -7.567 -9.693 239 H LYS 35 H LYS 35 4.538 -7.646 -12.281 240 HA LYS 35 HA LYS 35 5.147 -9.799 -14.223 241 HB2 LYS 35 HB2 LYS 35 3.123 -8.520 -14.812 242 HB3 LYS 35 HB3 LYS 35 4.092 -7.024 -14.777 243 HG2 LYS 35 HG2 LYS 35 5.441 -7.880 -16.647 244 HG3 LYS 35 HG3 LYS 35 4.440 -9.370 -16.716 245 HD2 LYS 35 HD2 LYS 35 2.459 -7.970 -17.098 246 HD3 LYS 35 HD3 LYS 35 3.480 -6.525 -17.124 247 HE2 LYS 35 HE2 LYS 35 4.763 -7.501 -19.003 248 HE3 LYS 35 HE3 LYS 35 3.692 -8.925 -19.021 249 HZ1 LYS 35 HZ1 LYS 35 1.855 -7.460 -19.473 250 HZ2 LYS 35 HZ2 LYS 35 3.023 -7.323 -20.646 251 HZ3 LYS 35 HZ3 LYS 35 2.874 -6.135 -19.484 252 H VAL 36 H VAL 36 7.212 -9.817 -15.072 253 HA VAL 36 HA VAL 36 8.909 -7.388 -14.526 254 HB VAL 36 HB VAL 36 9.733 -10.298 -14.165 255 HG11 VAL 36 HG11 VAL 36 11.636 -8.950 -15.033 256 HG12 VAL 36 HG12 VAL 36 11.342 -7.723 -13.798 257 HG13 VAL 36 HG13 VAL 36 11.897 -9.324 -13.303 258 HG21 VAL 36 HG21 VAL 36 9.249 -8.042 -12.142 259 HG22 VAL 36 HG22 VAL 36 8.367 -9.576 -12.237 260 HG23 VAL 36 HG23 VAL 36 10.091 -9.543 -11.748 261 H SER 37 H SER 37 10.135 -6.695 -16.173 262 HA SER 37 HA SER 37 10.423 -8.470 -18.515 263 HB2 SER 37 HB2 SER 37 10.007 -5.434 -18.449 264 HB3 SER 37 HB3 SER 37 10.360 -6.417 -19.907 265 HG SER 37 HG SER 37 8.135 -6.125 -19.676 266 H LEU 38 H LEU 38 12.416 -8.460 -19.471 267 HA LEU 38 HA LEU 38 14.576 -6.922 -18.088 268 HB2 LEU 38 HB2 LEU 38 14.496 -9.264 -17.202 269 HB3 LEU 38 HB3 LEU 38 14.622 -9.857 -18.839 270 HG LEU 38 HG LEU 38 16.901 -8.947 -19.050 271 HD11 LEU 38 HD11 LEU 38 16.743 -7.125 -17.362 272 HD12 LEU 38 HD12 LEU 38 18.098 -8.235 -17.088 273 HD13 LEU 38 HD13 LEU 38 16.646 -8.379 -16.075 274 HD21 LEU 38 HD21 LEU 38 16.509 -10.723 -16.603 275 HD22 LEU 38 HD22 LEU 38 17.998 -10.575 -17.651 276 HD23 LEU 38 HD23 LEU 38 16.462 -11.234 -18.296 277 H SER 39 H SER 39 16.016 -6.033 -19.572 278 HA SER 39 HA SER 39 15.807 -7.053 -22.343 279 HB2 SER 39 HB2 SER 39 15.523 -4.111 -21.563 280 HB3 SER 39 HB3 SER 39 15.719 -4.743 -23.199 281 HG SER 39 HG SER 39 13.543 -4.386 -22.581 282 H LYS 40 H LYS 40 17.648 -6.686 -23.614 283 HA LYS 40 HA LYS 40 20.036 -5.479 -22.179 284 HB2 LYS 40 HB2 LYS 40 20.213 -7.969 -22.570 285 HB3 LYS 40 HB3 LYS 40 20.005 -7.666 -24.318 286 HG2 LYS 40 HG2 LYS 40 22.033 -6.228 -24.256 287 HG3 LYS 40 HG3 LYS 40 22.260 -6.660 -22.559 288 HD2 LYS 40 HD2 LYS 40 22.391 -9.084 -23.237 289 HD3 LYS 40 HD3 LYS 40 22.210 -8.585 -24.923 290 HE2 LYS 40 HE2 LYS 40 24.511 -7.716 -23.136 291 HE3 LYS 40 HE3 LYS 40 24.534 -8.996 -24.368 292 HZ1 LYS 40 HZ1 LYS 40 25.393 -7.002 -25.316 293 HZ2 LYS 40 HZ2 LYS 40 24.108 -6.098 -24.851 294 HZ3 LYS 40 HZ3 LYS 40 23.930 -7.252 -26.020 295 H ASP 41 H ASP 41 20.474 -3.610 -23.066 296 HA ASP 41 HA ASP 41 20.692 -1.952 -24.567 297 HB2 ASP 41 HB2 ASP 41 22.258 -3.694 -25.525 298 HB3 ASP 41 HB3 ASP 41 21.016 -3.962 -26.756 299 H GLY 42 H GLY 42 17.975 -2.775 -24.069 300 HA2 GLY 42 HA2 GLY 42 15.907 -2.002 -24.830 301 HA3 GLY 42 HA3 GLY 42 16.665 -1.536 -26.375 302 H THR 43 H THR 43 17.291 -4.851 -25.581 303 HA THR 43 HA THR 43 14.902 -5.604 -27.222 304 HB THR 43 HB THR 43 17.612 -7.003 -27.263 305 HG1 THR 43 HG1 THR 43 16.432 -5.622 -29.395 306 HG21 THR 43 HG21 THR 43 16.745 -8.260 -29.085 307 HG22 THR 43 HG22 THR 43 15.203 -7.357 -29.008 308 HG23 THR 43 HG23 THR 43 15.660 -8.470 -27.697 309 H GLU 44 H GLU 44 13.505 -6.968 -26.154 310 HA GLU 44 HA GLU 44 13.958 -7.662 -23.454 311 HB2 GLU 44 HB2 GLU 44 11.909 -8.708 -25.467 312 HB3 GLU 44 HB3 GLU 44 11.931 -9.092 -23.726 313 HG2 GLU 44 HG2 GLU 44 11.704 -6.658 -23.219 314 HG3 GLU 44 HG3 GLU 44 11.571 -6.252 -24.905 315 H VAL 45 H VAL 45 14.328 -9.451 -22.346 316 HA VAL 45 HA VAL 45 15.658 -11.714 -23.805 317 HB VAL 45 HB VAL 45 16.410 -10.401 -21.130 318 HG11 VAL 45 HG11 VAL 45 17.725 -12.800 -22.539 319 HG12 VAL 45 HG12 VAL 45 18.331 -11.987 -21.058 320 HG13 VAL 45 HG13 VAL 45 16.755 -12.846 -21.021 321 HG21 VAL 45 HG21 VAL 45 17.986 -10.506 -23.725 322 HG22 VAL 45 HG22 VAL 45 17.173 -9.096 -23.060 323 HG23 VAL 45 HG23 VAL 45 18.552 -9.864 -22.182 324 H ALA 46 H ALA 46 14.996 -13.729 -23.132 325 HA ALA 46 HA ALA 46 12.523 -13.995 -21.821 326 HB1 ALA 46 HB1 ALA 46 12.916 -16.418 -22.029 327 HB2 ALA 46 HB2 ALA 46 13.456 -15.616 -23.542 328 HB3 ALA 46 HB3 ALA 46 14.650 -16.155 -22.334 329 H ILE 47 H ILE 47 11.862 -14.890 -19.918 330 HA ILE 47 HA ILE 47 13.844 -14.999 -17.660 331 HB ILE 47 HB ILE 47 11.008 -13.803 -17.628 332 HG12 ILE 47 HG12 ILE 47 13.657 -12.406 -17.230 333 HG13 ILE 47 HG13 ILE 47 12.787 -12.415 -18.766 334 HG21 ILE 47 HG21 ILE 47 11.433 -13.198 -15.325 335 HG22 ILE 47 HG22 ILE 47 11.599 -14.944 -15.501 336 HG23 ILE 47 HG23 ILE 47 13.027 -13.927 -15.369 337 HD11 ILE 47 HD11 ILE 47 12.276 -10.340 -17.665 338 HD12 ILE 47 HD12 ILE 47 10.821 -11.320 -17.550 339 HD13 ILE 47 HD13 ILE 47 11.889 -11.104 -16.182 340 H LYS 48 H LYS 48 13.695 -16.880 -16.444 341 HA LYS 48 HA LYS 48 12.105 -19.084 -17.374 342 HB2 LYS 48 HB2 LYS 48 14.332 -19.206 -16.117 343 HB3 LYS 48 HB3 LYS 48 13.483 -18.672 -14.673 344 HG2 LYS 48 HG2 LYS 48 13.761 -20.971 -14.339 345 HG3 LYS 48 HG3 LYS 48 12.084 -20.721 -14.772 346 HD2 LYS 48 HD2 LYS 48 12.786 -22.702 -15.847 347 HD3 LYS 48 HD3 LYS 48 12.713 -21.458 -17.113 348 HE2 LYS 48 HE2 LYS 48 15.121 -21.105 -16.932 349 HE3 LYS 48 HE3 LYS 48 15.203 -22.329 -15.634 350 HZ1 LYS 48 HZ1 LYS 48 15.769 -23.282 -17.772 351 HZ2 LYS 48 HZ2 LYS 48 14.374 -22.801 -18.461 352 HZ3 LYS 48 HZ3 LYS 48 14.376 -23.958 -17.269 353 H GLY 49 H GLY 49 11.649 -16.639 -14.862 354 HA2 GLY 49 HA2 GLY 49 9.018 -16.441 -14.641 355 HA3 GLY 49 HA3 GLY 49 9.243 -17.997 -13.833 356 H LEU 50 H LEU 50 8.284 -16.707 -12.033 357 HA LEU 50 HA LEU 50 10.435 -15.554 -10.430 358 HB2 LEU 50 HB2 LEU 50 9.301 -13.546 -9.845 359 HB3 LEU 50 HB3 LEU 50 9.448 -13.616 -11.620 360 HG LEU 50 HG LEU 50 6.933 -14.120 -10.001 361 HD11 LEU 50 HD11 LEU 50 7.712 -11.849 -9.812 362 HD12 LEU 50 HD12 LEU 50 6.285 -11.956 -10.911 363 HD13 LEU 50 HD13 LEU 50 7.914 -11.748 -11.602 364 HD21 LEU 50 HD21 LEU 50 6.805 -15.273 -12.170 365 HD22 LEU 50 HD22 LEU 50 7.244 -13.789 -13.003 366 HD23 LEU 50 HD23 LEU 50 5.705 -13.869 -12.126 367 H GLU 51 H GLU 51 10.017 -15.465 -8.159 368 HA GLU 51 HA GLU 51 7.587 -16.788 -7.136 369 HB2 GLU 51 HB2 GLU 51 8.777 -18.706 -6.274 370 HB3 GLU 51 HB3 GLU 51 9.035 -18.601 -8.004 371 HG2 GLU 51 HG2 GLU 51 11.244 -17.606 -7.621 372 HG3 GLU 51 HG3 GLU 51 11.027 -17.786 -5.907 373 H THR 52 H THR 52 7.684 -16.975 -4.696 374 HA THR 52 HA THR 52 9.881 -15.263 -3.518 375 HB THR 52 HB THR 52 8.182 -14.602 -1.730 376 HG1 THR 52 HG1 THR 52 6.805 -16.488 -2.294 377 HG21 THR 52 HG21 THR 52 8.500 -13.337 -4.006 378 HG22 THR 52 HG22 THR 52 7.173 -12.888 -2.897 379 HG23 THR 52 HG23 THR 52 6.819 -13.888 -4.292 380 HA PRO 53 HA PRO 53 9.851 -19.490 -1.636 381 HB2 PRO 53 HB2 PRO 53 12.517 -19.768 -1.137 382 HB3 PRO 53 HB3 PRO 53 11.841 -19.910 -2.774 383 HG2 PRO 53 HG2 PRO 53 13.163 -17.616 -1.429 384 HG3 PRO 53 HG3 PRO 53 13.507 -18.350 -3.025 385 HD2 PRO 53 HD2 PRO 53 11.917 -16.117 -2.802 386 HD3 PRO 53 HD3 PRO 53 11.636 -17.331 -4.088 387 H ASP 54 H ASP 54 10.997 -16.402 -0.524 388 HA ASP 54 HA ASP 54 11.736 -17.027 2.162 389 HB2 ASP 54 HB2 ASP 54 12.209 -15.003 0.708 390 HB3 ASP 54 HB3 ASP 54 10.588 -14.429 1.041 391 H ALA 55 H ALA 55 10.510 -16.853 4.076 392 HA ALA 55 HA ALA 55 7.759 -17.732 3.912 393 HB1 ALA 55 HB1 ALA 55 7.779 -17.479 6.372 394 HB2 ALA 55 HB2 ALA 55 9.359 -18.145 5.912 395 HB3 ALA 55 HB3 ALA 55 9.226 -16.438 6.308 396 H ASP 56 H ASP 56 9.394 -14.528 4.113 397 HA ASP 56 HA ASP 56 6.835 -13.162 4.384 398 HB2 ASP 56 HB2 ASP 56 9.685 -12.191 4.064 399 HB3 ASP 56 HB3 ASP 56 8.272 -11.113 4.212 400 H LYS 57 H LYS 57 5.872 -11.985 2.649 401 HA LYS 57 HA LYS 57 6.600 -12.805 -0.064 402 HB2 LYS 57 HB2 LYS 57 4.433 -11.017 1.169 403 HB3 LYS 57 HB3 LYS 57 4.698 -11.133 -0.600 404 HG2 LYS 57 HG2 LYS 57 2.917 -12.495 -0.143 405 HG3 LYS 57 HG3 LYS 57 4.329 -13.509 -0.579 406 HD2 LYS 57 HD2 LYS 57 4.606 -14.104 1.773 407 HD3 LYS 57 HD3 LYS 57 3.200 -13.100 2.204 408 HE2 LYS 57 HE2 LYS 57 1.765 -14.472 0.697 409 HE3 LYS 57 HE3 LYS 57 3.169 -15.440 0.245 410 HZ1 LYS 57 HZ1 LYS 57 3.342 -16.275 2.476 411 HZ2 LYS 57 HZ2 LYS 57 1.796 -16.541 1.910 412 HZ3 LYS 57 HZ3 LYS 57 2.078 -15.290 2.979 413 H LYS 58 H LYS 58 8.005 -10.621 1.954 414 HA LYS 58 HA LYS 58 8.167 -8.337 0.173 415 HB2 LYS 58 HB2 LYS 58 9.862 -9.026 2.570 416 HB3 LYS 58 HB3 LYS 58 9.910 -7.501 1.660 417 HG2 LYS 58 HG2 LYS 58 7.541 -7.094 2.207 418 HG3 LYS 58 HG3 LYS 58 7.505 -8.566 3.227 419 HD2 LYS 58 HD2 LYS 58 9.352 -7.598 4.625 420 HD3 LYS 58 HD3 LYS 58 9.346 -6.108 3.629 421 HE2 LYS 58 HE2 LYS 58 6.972 -5.795 4.197 422 HE3 LYS 58 HE3 LYS 58 7.025 -7.226 5.235 423 HZ1 LYS 58 HZ1 LYS 58 8.732 -6.130 6.548 424 HZ2 LYS 58 HZ2 LYS 58 7.299 -5.289 6.545 425 HZ3 LYS 58 HZ3 LYS 58 8.554 -4.766 5.636 426 H THR 59 H THR 59 10.061 -11.223 0.451 427 HA THR 59 HA THR 59 12.141 -10.060 -1.289 428 HB THR 59 HB THR 59 11.936 -12.885 -0.307 429 HG1 THR 59 HG1 THR 59 13.130 -12.301 1.393 430 HG21 THR 59 HG21 THR 59 14.348 -12.995 -0.875 431 HG22 THR 59 HG22 THR 59 14.245 -11.355 -1.548 432 HG23 THR 59 HG23 THR 59 13.349 -12.705 -2.271 433 H LEU 60 H LEU 60 12.172 -10.326 -3.517 434 HA LEU 60 HA LEU 60 10.239 -12.315 -4.696 435 HB2 LEU 60 HB2 LEU 60 9.406 -9.992 -4.749 436 HB3 LEU 60 HB3 LEU 60 10.812 -9.494 -5.658 437 HG LEU 60 HG LEU 60 8.789 -9.585 -6.993 438 HD11 LEU 60 HD11 LEU 60 10.589 -11.797 -8.021 439 HD12 LEU 60 HD12 LEU 60 11.120 -10.054 -7.991 440 HD13 LEU 60 HD13 LEU 60 9.680 -10.572 -8.941 441 HD21 LEU 60 HD21 LEU 60 8.839 -12.621 -6.598 442 HD22 LEU 60 HD22 LEU 60 7.653 -11.630 -7.514 443 HD23 LEU 60 HD23 LEU 60 7.727 -11.468 -5.763 444 H VAL 61 H VAL 61 11.219 -13.701 -6.134 445 HA VAL 61 HA VAL 61 14.068 -13.121 -6.873 446 HB VAL 61 HB VAL 61 12.402 -15.728 -6.998 447 HG11 VAL 61 HG11 VAL 61 15.413 -15.375 -7.446 448 HG12 VAL 61 HG12 VAL 61 14.512 -16.936 -7.321 449 HG13 VAL 61 HG13 VAL 61 14.186 -15.817 -8.654 450 HG21 VAL 61 HG21 VAL 61 12.897 -14.910 -4.645 451 HG22 VAL 61 HG22 VAL 61 13.570 -16.491 -5.059 452 HG23 VAL 61 HG23 VAL 61 14.630 -15.056 -5.029 453 H VAL 62 H VAL 62 14.680 -12.727 -8.930 454 HA VAL 62 HA VAL 62 12.759 -13.465 -11.138 455 HB VAL 62 HB VAL 62 14.833 -11.255 -11.085 456 HG11 VAL 62 HG11 VAL 62 12.721 -11.985 -13.173 457 HG12 VAL 62 HG12 VAL 62 13.894 -10.646 -13.281 458 HG13 VAL 62 HG13 VAL 62 14.483 -12.340 -13.320 459 HG21 VAL 62 HG21 VAL 62 13.001 -10.635 -9.677 460 HG22 VAL 62 HG22 VAL 62 12.768 -9.756 -11.221 461 HG23 VAL 62 HG23 VAL 62 11.794 -11.243 -10.869 462 H THR 63 H THR 63 13.512 -15.033 -12.512 463 HA THR 63 HA THR 63 16.443 -15.627 -12.352 464 HB THR 63 HB THR 63 14.187 -17.651 -12.780 465 HG1 THR 63 HG1 THR 63 14.682 -18.214 -10.607 466 HG21 THR 63 HG21 THR 63 16.338 -18.315 -13.723 467 HG22 THR 63 HG22 THR 63 15.884 -19.329 -12.322 468 HG23 THR 63 HG23 THR 63 17.116 -18.036 -12.166 469 HA PRO 64 HA PRO 64 16.106 -14.674 -16.768 470 HB2 PRO 64 HB2 PRO 64 18.726 -14.998 -17.468 471 HB3 PRO 64 HB3 PRO 64 18.193 -13.634 -16.439 472 HG2 PRO 64 HG2 PRO 64 19.368 -16.232 -15.551 473 HG3 PRO 64 HG3 PRO 64 19.874 -14.567 -15.152 474 HD2 PRO 64 HD2 PRO 64 18.258 -15.986 -13.476 475 HD3 PRO 64 HD3 PRO 64 18.026 -14.225 -13.750 476 H ALA 65 H ALA 65 16.172 -15.872 -18.794 477 HA ALA 65 HA ALA 65 16.499 -18.836 -18.467 478 HB1 ALA 65 HB1 ALA 65 14.649 -17.416 -20.358 479 HB2 ALA 65 HB2 ALA 65 14.760 -19.149 -20.091 480 HB3 ALA 65 HB3 ALA 65 14.167 -18.090 -18.821 481 H ALA 66 H ALA 66 18.287 -16.508 -19.448 482 HA ALA 66 HA ALA 66 19.425 -18.043 -21.691 483 HB1 ALA 66 HB1 ALA 66 17.824 -16.249 -22.656 484 HB2 ALA 66 HB2 ALA 66 18.933 -15.068 -22.039 485 HB3 ALA 66 HB3 ALA 66 19.461 -16.216 -23.244 486 HA PRO 67 HA PRO 67 22.772 -16.737 -19.204 487 HB2 PRO 67 HB2 PRO 67 24.959 -16.764 -20.869 488 HB3 PRO 67 HB3 PRO 67 24.155 -18.249 -20.348 489 HG2 PRO 67 HG2 PRO 67 23.758 -16.654 -22.896 490 HG3 PRO 67 HG3 PRO 67 24.095 -18.380 -22.705 491 HD2 PRO 67 HD2 PRO 67 21.582 -17.521 -23.105 492 HD3 PRO 67 HD3 PRO 67 21.956 -18.848 -21.933 493 H LEU 68 H LEU 68 23.914 -14.785 -18.606 494 HA LEU 68 HA LEU 68 23.059 -12.513 -20.287 495 HB2 LEU 68 HB2 LEU 68 24.289 -12.525 -17.521 496 HB3 LEU 68 HB3 LEU 68 23.652 -11.116 -18.341 497 HG LEU 68 HG LEU 68 22.046 -13.489 -17.354 498 HD11 LEU 68 HD11 LEU 68 22.327 -10.674 -16.277 499 HD12 LEU 68 HD12 LEU 68 22.979 -12.144 -15.524 500 HD13 LEU 68 HD13 LEU 68 21.219 -11.922 -15.672 501 HD21 LEU 68 HD21 LEU 68 20.053 -12.086 -17.754 502 HD22 LEU 68 HD22 LEU 68 20.950 -12.428 -19.278 503 HD23 LEU 68 HD23 LEU 68 21.093 -10.859 -18.533 504 H ALA 69 H ALA 69 24.456 -12.010 -21.894 505 HA ALA 69 HA ALA 69 27.316 -12.448 -21.568 506 HB1 ALA 69 HB1 ALA 69 25.729 -10.928 -23.677 507 HB2 ALA 69 HB2 ALA 69 27.457 -11.309 -23.805 508 HB3 ALA 69 HB3 ALA 69 26.244 -12.612 -23.809 509 H ALA 70 H ALA 70 28.877 -10.527 -21.751 510 HA ALA 70 HA ALA 70 28.292 -8.550 -19.768 511 HB1 ALA 70 HB1 ALA 70 30.626 -9.211 -20.519 512 HB2 ALA 70 HB2 ALA 70 30.321 -8.444 -22.093 513 HB3 ALA 70 HB3 ALA 70 30.389 -7.458 -20.602 514 H GLY 71 H GLY 71 27.589 -6.357 -19.934 515 HA2 GLY 71 HA2 GLY 71 27.290 -4.654 -21.945 516 HA3 GLY 71 HA3 GLY 71 26.010 -5.815 -22.378 517 H ASN 72 H ASN 72 24.865 -3.613 -22.151 518 HA ASN 72 HA ASN 72 24.174 -2.952 -19.345 519 HB2 ASN 72 HB2 ASN 72 24.776 -1.167 -21.022 520 HB3 ASN 72 HB3 ASN 72 23.328 -1.596 -21.896 521 HD21 ASN 72 HD21 ASN 72 24.586 0.214 -19.317 522 HD22 ASN 72 HD22 ASN 72 23.058 0.838 -18.744 523 H TYR 73 H TYR 73 22.352 -3.430 -18.375 524 HA TYR 73 HA TYR 73 20.144 -4.594 -20.050 525 HB2 TYR 73 HB2 TYR 73 21.126 -5.431 -17.290 526 HB3 TYR 73 HB3 TYR 73 19.646 -5.988 -18.072 527 HD1 TYR 73 HD1 TYR 73 19.560 -7.668 -19.728 528 HD2 TYR 73 HD2 TYR 73 23.333 -6.159 -18.394 529 HE1 TYR 73 HE1 TYR 73 20.728 -9.528 -20.915 530 HE2 TYR 73 HE2 TYR 73 24.505 -8.038 -19.603 531 HH TYR 73 HH TYR 73 24.271 -9.862 -20.777 532 H LYS 74 H LYS 74 18.030 -4.317 -19.294 533 HA LYS 74 HA LYS 74 17.633 -2.136 -17.293 534 HB2 LYS 74 HB2 LYS 74 17.373 -1.344 -19.662 535 HB3 LYS 74 HB3 LYS 74 16.125 -2.581 -19.907 536 HG2 LYS 74 HG2 LYS 74 15.085 -0.529 -19.645 537 HG3 LYS 74 HG3 LYS 74 14.797 -1.402 -18.134 538 HD2 LYS 74 HD2 LYS 74 16.570 -0.048 -17.029 539 HD3 LYS 74 HD3 LYS 74 16.896 0.800 -18.546 540 HE2 LYS 74 HE2 LYS 74 14.571 1.625 -18.568 541 HE3 LYS 74 HE3 LYS 74 14.304 0.831 -16.994 542 HZ1 LYS 74 HZ1 LYS 74 14.903 3.241 -16.924 543 HZ2 LYS 74 HZ2 LYS 74 16.396 2.854 -17.425 544 HZ3 LYS 74 HZ3 LYS 74 15.840 2.293 -16.008 545 H VAL 75 H VAL 75 16.001 -2.614 -15.779 546 HA VAL 75 HA VAL 75 14.387 -5.052 -16.269 547 HB VAL 75 HB VAL 75 15.346 -3.960 -13.574 548 HG11 VAL 75 HG11 VAL 75 13.070 -4.947 -13.353 549 HG12 VAL 75 HG12 VAL 75 13.564 -6.377 -14.233 550 HG13 VAL 75 HG13 VAL 75 14.194 -6.045 -12.635 551 HG21 VAL 75 HG21 VAL 75 17.083 -5.147 -14.858 552 HG22 VAL 75 HG22 VAL 75 16.674 -6.013 -13.391 553 HG23 VAL 75 HG23 VAL 75 16.017 -6.558 -14.973 554 H VAL 76 H VAL 76 12.232 -4.627 -16.347 555 HA VAL 76 HA VAL 76 11.201 -2.041 -15.156 556 HB VAL 76 HB VAL 76 10.233 -3.453 -17.679 557 HG11 VAL 76 HG11 VAL 76 8.676 -1.555 -17.908 558 HG12 VAL 76 HG12 VAL 76 8.392 -2.494 -16.422 559 HG13 VAL 76 HG13 VAL 76 9.232 -0.912 -16.334 560 HG21 VAL 76 HG21 VAL 76 11.539 -0.700 -17.402 561 HG22 VAL 76 HG22 VAL 76 12.365 -2.158 -18.025 562 HG23 VAL 76 HG23 VAL 76 11.001 -1.469 -18.886 563 H TRP 77 H TRP 77 9.553 -2.424 -13.587 564 HA TRP 77 HA TRP 77 8.335 -5.070 -13.725 565 HB2 TRP 77 HB2 TRP 77 8.716 -5.495 -11.287 566 HB3 TRP 77 HB3 TRP 77 10.190 -5.499 -12.206 567 HD1 TRP 77 HD1 TRP 77 11.909 -3.474 -11.782 568 HE1 TRP 77 HE1 TRP 77 12.201 -1.677 -10.021 569 HE3 TRP 77 HE3 TRP 77 7.448 -4.081 -9.487 570 HZ2 TRP 77 HZ2 TRP 77 10.622 -0.567 -7.958 571 HZ3 TRP 77 HZ3 TRP 77 6.903 -2.618 -7.483 572 HH2 TRP 77 HH2 TRP 77 8.436 -0.804 -6.834 573 H ASN 78 H ASN 78 6.361 -5.336 -12.879 574 HA ASN 78 HA ASN 78 5.022 -2.960 -11.640 575 HB2 ASN 78 HB2 ASN 78 3.905 -4.985 -13.591 576 HB3 ASN 78 HB3 ASN 78 2.939 -3.716 -12.797 577 HD21 ASN 78 HD21 ASN 78 3.822 -4.371 -15.694 578 HD22 ASN 78 HD22 ASN 78 4.348 -2.806 -16.305 579 H ALA 79 H ALA 79 4.351 -3.541 -9.570 580 HA ALA 79 HA ALA 79 4.160 -6.477 -9.024 581 HB1 ALA 79 HB1 ALA 79 6.295 -5.499 -8.141 582 HB2 ALA 79 HB2 ALA 79 5.302 -4.391 -7.142 583 HB3 ALA 79 HB3 ALA 79 5.222 -6.141 -6.907 584 H VAL 80 H VAL 80 2.533 -7.110 -7.559 585 HA VAL 80 HA VAL 80 0.623 -4.962 -6.815 586 HB VAL 80 HB VAL 80 0.059 -7.923 -7.449 587 HG11 VAL 80 HG11 VAL 80 -1.449 -7.089 -5.680 588 HG12 VAL 80 HG12 VAL 80 -1.872 -5.689 -6.735 589 HG13 VAL 80 HG13 VAL 80 -2.287 -7.376 -7.192 590 HG21 VAL 80 HG21 VAL 80 -0.600 -5.362 -8.981 591 HG22 VAL 80 HG22 VAL 80 0.496 -6.672 -9.502 592 HG23 VAL 80 HG23 VAL 80 -1.262 -6.988 -9.380 593 H SER 81 H SER 81 0.393 -4.680 -4.739 594 HA SER 81 HA SER 81 2.121 -6.114 -2.991 595 HB2 SER 81 HB2 SER 81 1.281 -4.637 -1.297 596 HB3 SER 81 HB3 SER 81 1.637 -3.697 -2.719 597 HG SER 81 HG SER 81 -0.369 -3.206 -1.735 598 H VAL 82 H VAL 82 1.296 -7.016 -0.844 599 HA VAL 82 HA VAL 82 -0.736 -8.976 -1.392 600 HB VAL 82 HB VAL 82 -0.503 -9.703 0.949 601 HG11 VAL 82 HG11 VAL 82 1.086 -10.670 -0.517 602 HG12 VAL 82 HG12 VAL 82 2.085 -9.182 -0.573 603 HG13 VAL 82 HG13 VAL 82 1.997 -10.162 0.886 604 HG21 VAL 82 HG21 VAL 82 -0.235 -7.515 2.000 605 HG22 VAL 82 HG22 VAL 82 1.137 -8.517 2.416 606 HG23 VAL 82 HG23 VAL 82 1.312 -7.264 1.180 607 H ASP 83 H ASP 83 -0.946 -5.745 -0.471 608 HA ASP 83 HA ASP 83 -3.672 -6.145 0.645 609 HB2 ASP 83 HB2 ASP 83 -1.928 -4.473 1.583 610 HB3 ASP 83 HB3 ASP 83 -2.305 -3.493 0.144 611 H THR 84 H THR 84 -2.548 -6.532 -2.205 612 HA THR 84 HA THR 84 -3.106 -6.376 -4.319 613 HB THR 84 HB THR 84 -5.451 -6.261 -5.038 614 HG1 THR 84 HG1 THR 84 -5.676 -5.003 -2.547 615 HG21 THR 84 HG21 THR 84 -5.333 -7.758 -2.365 616 HG22 THR 84 HG22 THR 84 -4.401 -8.297 -3.782 617 HG23 THR 84 HG23 THR 84 -6.168 -8.221 -3.876 618 H HIS 85 H HIS 85 -2.293 -3.707 -3.049 619 HA HIS 85 HA HIS 85 -3.358 -1.805 -5.047 620 HB2 HIS 85 HB2 HIS 85 -1.124 -1.468 -3.000 621 HB3 HIS 85 HB3 HIS 85 -1.803 -0.206 -4.023 622 HD1 HIS 85 HD1 HIS 85 -4.507 0.290 -3.605 623 HD2 HIS 85 HD2 HIS 85 -2.395 -1.711 -0.636 624 HE1 HIS 85 HE1 HIS 85 -5.898 0.436 -1.516 625 H LYS 86 H LYS 86 -2.476 -1.542 -7.085 626 HA LYS 86 HA LYS 86 -0.061 -2.927 -7.829 627 HB2 LYS 86 HB2 LYS 86 -2.001 -2.528 -9.278 628 HB3 LYS 86 HB3 LYS 86 -1.562 -0.802 -9.342 629 HG2 LYS 86 HG2 LYS 86 0.582 -1.428 -10.369 630 HG3 LYS 86 HG3 LYS 86 0.133 -3.172 -10.349 631 HD2 LYS 86 HD2 LYS 86 -1.298 -0.952 -11.884 632 HD3 LYS 86 HD3 LYS 86 -0.063 -1.967 -12.547 633 HE2 LYS 86 HE2 LYS 86 -2.118 -2.889 -13.298 634 HE3 LYS 86 HE3 LYS 86 -1.523 -3.983 -12.041 635 HZ1 LYS 86 HZ1 LYS 86 -3.857 -3.605 -11.941 636 HZ2 LYS 86 HZ2 LYS 86 -3.687 -2.003 -11.688 637 HZ3 LYS 86 HZ3 LYS 86 -3.179 -3.111 -10.546 638 H SER 87 H SER 87 2.028 -2.214 -8.220 639 HA SER 87 HA SER 87 2.657 0.703 -7.777 640 HB2 SER 87 HB2 SER 87 3.978 -1.722 -6.450 641 HB3 SER 87 HB3 SER 87 4.532 -0.028 -6.306 642 HG SER 87 HG SER 87 1.867 -0.746 -5.695 643 H ASN 88 H ASN 88 4.844 1.210 -8.818 644 HA ASN 88 HA ASN 88 5.861 -0.960 -10.545 645 HB2 ASN 88 HB2 ASN 88 5.652 0.206 -12.640 646 HB3 ASN 88 HB3 ASN 88 4.059 0.033 -11.930 647 HD21 ASN 88 HD21 ASN 88 5.924 2.088 -13.610 648 HD22 ASN 88 HD22 ASN 88 5.241 3.587 -13.051 649 H GLY 89 H GLY 89 7.847 -0.480 -11.742 650 HA2 GLY 89 HA2 GLY 89 9.171 2.023 -11.466 651 HA3 GLY 89 HA3 GLY 89 9.752 0.957 -10.199 652 H GLU 90 H GLU 90 11.696 1.726 -11.883 653 HA GLU 90 HA GLU 90 12.317 -0.707 -13.376 654 HB2 GLU 90 HB2 GLU 90 12.667 0.372 -15.501 655 HB3 GLU 90 HB3 GLU 90 11.011 0.668 -14.980 656 HG2 GLU 90 HG2 GLU 90 11.615 2.875 -14.219 657 HG3 GLU 90 HG3 GLU 90 13.259 2.654 -14.859 658 H TYR 91 H TYR 91 14.639 -0.876 -13.822 659 HA TYR 91 HA TYR 91 16.363 1.378 -13.112 660 HB2 TYR 91 HB2 TYR 91 17.636 0.136 -11.419 661 HB3 TYR 91 HB3 TYR 91 15.978 0.368 -10.902 662 HD1 TYR 91 HD1 TYR 91 14.466 -1.584 -10.668 663 HD2 TYR 91 HD2 TYR 91 18.497 -2.049 -11.964 664 HE1 TYR 91 HE1 TYR 91 14.373 -4.070 -10.124 665 HE2 TYR 91 HE2 TYR 91 18.397 -4.503 -11.403 666 HH TYR 91 HH TYR 91 15.509 -6.045 -10.027 667 H SER 92 H SER 92 18.697 0.864 -13.577 668 HA SER 92 HA SER 92 18.903 -1.344 -15.578 669 HB2 SER 92 HB2 SER 92 20.325 0.145 -17.000 670 HB3 SER 92 HB3 SER 92 18.750 0.888 -16.709 671 HG SER 92 HG SER 92 21.278 1.528 -15.693 672 H PHE 93 H PHE 93 21.091 -2.172 -15.924 673 HA PHE 93 HA PHE 93 23.139 -1.499 -13.969 674 HB2 PHE 93 HB2 PHE 93 23.288 -3.603 -12.816 675 HB3 PHE 93 HB3 PHE 93 21.624 -3.018 -12.624 676 HD1 PHE 93 HD1 PHE 93 23.825 -5.570 -14.062 677 HD2 PHE 93 HD2 PHE 93 19.737 -4.247 -13.815 678 HE1 PHE 93 HE1 PHE 93 23.056 -7.784 -14.920 679 HE2 PHE 93 HE2 PHE 93 18.962 -6.420 -14.727 680 HZ PHE 93 HZ PHE 93 20.645 -8.191 -15.248 681 H LYS 94 H LYS 94 25.190 -2.955 -14.329 682 HA LYS 94 HA LYS 94 25.167 -3.791 -17.193 683 HB2 LYS 94 HB2 LYS 94 26.176 -1.558 -16.793 684 HB3 LYS 94 HB3 LYS 94 27.365 -2.356 -15.703 685 HG2 LYS 94 HG2 LYS 94 28.283 -3.592 -17.656 686 HG3 LYS 94 HG3 LYS 94 27.071 -2.786 -18.708 687 HD2 LYS 94 HD2 LYS 94 27.912 -0.551 -18.005 688 HD3 LYS 94 HD3 LYS 94 29.207 -1.328 -17.031 689 HE2 LYS 94 HE2 LYS 94 30.137 -2.341 -19.177 690 HE3 LYS 94 HE3 LYS 94 28.841 -1.488 -20.105 691 HZ1 LYS 94 HZ1 LYS 94 30.904 -0.263 -20.084 692 HZ2 LYS 94 HZ2 LYS 94 30.850 -0.146 -18.418 693 HZ3 LYS 94 HZ3 LYS 94 29.664 0.595 -19.351 694 H VAL 95 H VAL 95 25.938 -5.773 -17.653 695 HA VAL 95 HA VAL 95 27.262 -7.265 -15.440 696 HB VAL 95 HB VAL 95 26.496 -8.176 -18.266 697 HG11 VAL 95 HG11 VAL 95 26.875 -10.485 -17.441 698 HG12 VAL 95 HG12 VAL 95 28.356 -9.521 -17.573 699 HG13 VAL 95 HG13 VAL 95 27.639 -9.788 -15.974 700 HG21 VAL 95 HG21 VAL 95 25.304 -8.782 -15.488 701 HG22 VAL 95 HG22 VAL 95 24.512 -7.763 -16.772 702 HG23 VAL 95 HG23 VAL 95 24.761 -9.498 -17.057 703 H GLY 96 H GLY 96 29.447 -7.482 -15.290 704 HA2 GLY 96 HA2 GLY 96 31.142 -6.790 -17.609 705 HA3 GLY 96 HA3 GLY 96 31.413 -6.108 -16.027 706 H GLN 97 H GLN 97 30.541 -9.355 -17.240 707 HA GLN 97 HA GLN 97 32.138 -10.637 -15.198 708 HB2 GLN 97 HB2 GLN 97 31.300 -12.692 -16.125 709 HB3 GLN 97 HB3 GLN 97 29.970 -11.556 -16.075 710 HG2 GLN 97 HG2 GLN 97 29.568 -12.239 -18.088 711 HG3 GLN 97 HG3 GLN 97 30.763 -11.089 -18.578 712 HE21 GLN 97 HE21 GLN 97 29.694 -14.285 -18.849 713 HE22 GLN 97 HE22 GLN 97 31.146 -14.971 -19.521 Start of MODEL 4 1 H1 HIS 1 H1 HIS 1 3.716 3.085 -0.840 2 H2 HIS 1 H2 HIS 1 2.059 2.854 -0.982 3 H3 HIS 1 H3 HIS 1 2.968 1.760 -0.100 4 HA HIS 1 HA HIS 1 2.361 0.891 -2.303 5 HB2 HIS 1 HB2 HIS 1 3.981 3.290 -3.211 6 HB3 HIS 1 HB3 HIS 1 3.636 1.926 -4.255 7 HD1 HIS 1 HD1 HIS 1 2.001 4.942 -2.610 8 HD2 HIS 1 HD2 HIS 1 1.055 1.792 -5.220 9 HE1 HIS 1 HE1 HIS 1 -0.240 5.439 -3.609 10 H ALA 2 H ALA 2 3.825 -0.499 -3.455 11 HA ALA 2 HA ALA 2 5.963 -1.351 -1.673 12 HB1 ALA 2 HB1 ALA 2 6.165 -3.258 -3.188 13 HB2 ALA 2 HB2 ALA 2 4.458 -2.936 -2.958 14 HB3 ALA 2 HB3 ALA 2 5.258 -2.428 -4.458 15 H HIS 3 H HIS 3 7.882 -0.335 -1.665 16 HA HIS 3 HA HIS 3 9.114 0.393 -4.298 17 HB2 HIS 3 HB2 HIS 3 9.349 1.902 -1.675 18 HB3 HIS 3 HB3 HIS 3 10.273 2.228 -3.175 19 HD1 HIS 3 HD1 HIS 3 8.491 4.463 -2.044 20 HD2 HIS 3 HD2 HIS 3 7.288 1.681 -4.890 21 HE1 HIS 3 HE1 HIS 3 6.484 5.432 -3.244 22 H LEU 4 H LEU 4 11.388 0.136 -4.413 23 HA LEU 4 HA LEU 4 12.234 -2.304 -3.230 24 HB2 LEU 4 HB2 LEU 4 12.770 -1.476 -5.523 25 HB3 LEU 4 HB3 LEU 4 13.739 -0.244 -4.822 26 HG LEU 4 HG LEU 4 15.281 -2.025 -3.990 27 HD11 LEU 4 HD11 LEU 4 13.674 -3.915 -3.914 28 HD12 LEU 4 HD12 LEU 4 15.048 -4.269 -4.954 29 HD13 LEU 4 HD13 LEU 4 13.515 -3.813 -5.690 30 HD21 LEU 4 HD21 LEU 4 15.681 -0.845 -6.054 31 HD22 LEU 4 HD22 LEU 4 14.620 -1.946 -6.930 32 HD23 LEU 4 HD23 LEU 4 16.131 -2.512 -6.222 33 H LYS 5 H LYS 5 13.408 -2.688 -1.399 34 HA LYS 5 HA LYS 5 14.681 -0.353 -0.002 35 HB2 LYS 5 HB2 LYS 5 13.918 -3.141 0.998 36 HB3 LYS 5 HB3 LYS 5 14.712 -1.933 1.962 37 HG2 LYS 5 HG2 LYS 5 12.003 -1.583 0.699 38 HG3 LYS 5 HG3 LYS 5 12.254 -2.066 2.362 39 HD2 LYS 5 HD2 LYS 5 13.198 0.645 1.230 40 HD3 LYS 5 HD3 LYS 5 11.764 0.380 2.248 41 HE2 LYS 5 HE2 LYS 5 13.162 -0.536 4.045 42 HE3 LYS 5 HE3 LYS 5 14.639 -0.220 3.038 43 HZ1 LYS 5 HZ1 LYS 5 14.233 1.494 4.671 44 HZ2 LYS 5 HZ2 LYS 5 12.720 1.763 4.064 45 HZ3 LYS 5 HZ3 LYS 5 14.039 2.093 3.156 46 H SER 6 H SER 6 15.280 -3.605 -1.341 47 HA SER 6 HA SER 6 18.141 -3.021 -1.283 48 HB2 SER 6 HB2 SER 6 17.756 -3.941 0.997 49 HB3 SER 6 HB3 SER 6 16.990 -5.374 0.280 50 HG SER 6 HG SER 6 19.714 -4.553 0.221 51 H ALA 7 H ALA 7 19.276 -4.569 -2.633 52 HA ALA 7 HA ALA 7 17.725 -6.428 -4.184 53 HB1 ALA 7 HB1 ALA 7 17.303 -4.021 -5.066 54 HB2 ALA 7 HB2 ALA 7 18.954 -4.088 -5.721 55 HB3 ALA 7 HB3 ALA 7 17.704 -5.273 -6.254 56 H THR 8 H THR 8 18.822 -7.426 -5.958 57 HA THR 8 HA THR 8 21.655 -8.106 -5.473 58 HB THR 8 HB THR 8 19.557 -9.086 -7.550 59 HG1 THR 8 HG1 THR 8 19.742 -9.497 -4.904 60 HG21 THR 8 HG21 THR 8 21.652 -9.740 -8.358 61 HG22 THR 8 HG22 THR 8 20.888 -11.159 -7.572 62 HG23 THR 8 HG23 THR 8 22.193 -10.251 -6.716 63 HA PRO 9 HA PRO 9 23.804 -5.222 -8.076 64 HB2 PRO 9 HB2 PRO 9 22.728 -6.309 -10.650 65 HB3 PRO 9 HB3 PRO 9 24.368 -5.893 -10.094 66 HG2 PRO 9 HG2 PRO 9 22.883 -8.523 -9.660 67 HG3 PRO 9 HG3 PRO 9 24.642 -8.283 -9.581 68 HD2 PRO 9 HD2 PRO 9 23.288 -8.609 -7.266 69 HD3 PRO 9 HD3 PRO 9 24.460 -7.274 -7.332 70 H ALA 10 H ALA 10 23.072 -3.632 -7.234 71 HA ALA 10 HA ALA 10 20.670 -2.280 -7.624 72 HB1 ALA 10 HB1 ALA 10 23.396 -1.425 -6.567 73 HB2 ALA 10 HB2 ALA 10 21.974 -0.401 -6.562 74 HB3 ALA 10 HB3 ALA 10 21.972 -1.879 -5.624 75 H ALA 11 H ALA 11 20.558 -0.007 -8.467 76 HA ALA 11 HA ALA 11 21.180 -0.024 -11.170 77 HB1 ALA 11 HB1 ALA 11 20.473 2.304 -11.199 78 HB2 ALA 11 HB2 ALA 11 19.402 1.402 -10.134 79 HB3 ALA 11 HB3 ALA 11 20.660 2.397 -9.452 80 H ASP 12 H ASP 12 22.639 0.867 -12.447 81 HA ASP 12 HA ASP 12 24.629 1.642 -13.211 82 HB2 ASP 12 HB2 ASP 12 23.725 3.606 -11.743 83 HB3 ASP 12 HB3 ASP 12 25.146 3.256 -10.728 84 H SER 13 H SER 13 24.570 -0.661 -11.101 85 HA SER 13 HA SER 13 27.343 -0.631 -10.130 86 HB2 SER 13 HB2 SER 13 25.287 -2.852 -10.218 87 HB3 SER 13 HB3 SER 13 26.793 -2.918 -9.359 88 HG SER 13 HG SER 13 24.507 -1.365 -8.867 89 H THR 14 H THR 14 29.010 -2.100 -10.785 90 HA THR 14 HA THR 14 28.506 -3.401 -13.413 91 HB THR 14 HB THR 14 31.180 -2.435 -12.411 92 HG1 THR 14 HG1 THR 14 30.937 -0.913 -14.104 93 HG21 THR 14 HG21 THR 14 31.323 -4.413 -13.894 94 HG22 THR 14 HG22 THR 14 31.986 -2.939 -14.650 95 HG23 THR 14 HG23 THR 14 30.372 -3.525 -15.121 96 H VAL 15 H VAL 15 28.150 -5.529 -13.068 97 HA VAL 15 HA VAL 15 29.717 -6.888 -10.913 98 HB VAL 15 HB VAL 15 27.617 -8.148 -10.399 99 HG11 VAL 15 HG11 VAL 15 28.242 -6.016 -9.212 100 HG12 VAL 15 HG12 VAL 15 27.111 -5.112 -10.272 101 HG13 VAL 15 HG13 VAL 15 26.507 -6.385 -9.151 102 HG21 VAL 15 HG21 VAL 15 25.504 -7.629 -11.414 103 HG22 VAL 15 HG22 VAL 15 26.143 -6.212 -12.283 104 HG23 VAL 15 HG23 VAL 15 26.566 -7.880 -12.762 105 H ALA 16 H ALA 16 29.617 -9.258 -10.988 106 HA ALA 16 HA ALA 16 30.109 -10.382 -13.631 107 HB1 ALA 16 HB1 ALA 16 29.692 -11.641 -10.877 108 HB2 ALA 16 HB2 ALA 16 30.216 -12.477 -12.329 109 HB3 ALA 16 HB3 ALA 16 31.264 -11.226 -11.616 110 H ALA 17 H ALA 17 28.525 -12.022 -14.599 111 HA ALA 17 HA ALA 17 25.872 -11.048 -14.360 112 HB1 ALA 17 HB1 ALA 17 26.376 -12.107 -16.372 113 HB2 ALA 17 HB2 ALA 17 27.007 -13.539 -15.586 114 HB3 ALA 17 HB3 ALA 17 25.273 -13.226 -15.553 115 HA PRO 18 HA PRO 18 24.880 -13.248 -10.654 116 HB2 PRO 18 HB2 PRO 18 22.305 -12.490 -10.275 117 HB3 PRO 18 HB3 PRO 18 23.647 -11.342 -10.107 118 HG2 PRO 18 HG2 PRO 18 21.912 -11.862 -12.482 119 HG3 PRO 18 HG3 PRO 18 22.234 -10.291 -11.639 120 HD2 PRO 18 HD2 PRO 18 23.560 -11.064 -13.859 121 HD3 PRO 18 HD3 PRO 18 24.400 -10.184 -12.544 122 H ALA 19 H ALA 19 23.675 -15.180 -9.931 123 HA ALA 19 HA ALA 19 22.876 -16.883 -12.161 124 HB1 ALA 19 HB1 ALA 19 22.568 -18.602 -10.469 125 HB2 ALA 19 HB2 ALA 19 24.034 -17.703 -10.007 126 HB3 ALA 19 HB3 ALA 19 22.497 -17.413 -9.157 127 H ASP 20 H ASP 20 21.356 -14.845 -9.705 128 HA ASP 20 HA ASP 20 18.740 -14.989 -11.085 129 HB2 ASP 20 HB2 ASP 20 17.544 -15.489 -9.041 130 HB3 ASP 20 HB3 ASP 20 18.672 -16.810 -9.332 131 H LEU 21 H LEU 21 17.332 -13.166 -10.204 132 HA LEU 21 HA LEU 21 19.023 -11.054 -8.881 133 HB2 LEU 21 HB2 LEU 21 16.731 -10.669 -10.822 134 HB3 LEU 21 HB3 LEU 21 17.619 -9.408 -9.978 135 HG LEU 21 HG LEU 21 19.669 -9.921 -11.267 136 HD11 LEU 21 HD11 LEU 21 19.412 -12.144 -12.067 137 HD12 LEU 21 HD12 LEU 21 19.307 -11.111 -13.488 138 HD13 LEU 21 HD13 LEU 21 17.834 -11.794 -12.810 139 HD21 LEU 21 HD21 LEU 21 18.031 -8.094 -11.847 140 HD22 LEU 21 HD22 LEU 21 17.224 -9.296 -12.971 141 HD23 LEU 21 HD23 LEU 21 18.897 -8.786 -13.265 142 H ARG 22 H ARG 22 18.141 -10.182 -7.022 143 HA ARG 22 HA ARG 22 15.432 -11.191 -6.258 144 HB2 ARG 22 HB2 ARG 22 17.726 -10.462 -4.473 145 HB3 ARG 22 HB3 ARG 22 16.176 -11.155 -3.955 146 HG2 ARG 22 HG2 ARG 22 16.743 -13.248 -5.193 147 HG3 ARG 22 HG3 ARG 22 18.268 -12.477 -5.714 148 HD2 ARG 22 HD2 ARG 22 18.881 -12.142 -3.356 149 HD3 ARG 22 HD3 ARG 22 17.433 -13.082 -2.892 150 HE ARG 22 HE ARG 22 18.497 -15.049 -3.534 151 HH11 ARG 22 HH11 ARG 22 20.400 -12.336 -4.802 152 HH12 ARG 22 HH12 ARG 22 21.794 -13.345 -5.042 153 HH21 ARG 22 HH21 ARG 22 20.342 -16.256 -3.988 154 HH22 ARG 22 HH22 ARG 22 21.671 -15.487 -4.802 155 H LEU 23 H LEU 23 13.970 -9.689 -5.470 156 HA LEU 23 HA LEU 23 15.047 -6.921 -5.042 157 HB2 LEU 23 HB2 LEU 23 12.350 -7.715 -6.262 158 HB3 LEU 23 HB3 LEU 23 12.805 -6.082 -5.796 159 HG LEU 23 HG LEU 23 14.523 -6.036 -7.590 160 HD11 LEU 23 HD11 LEU 23 14.227 -7.700 -9.459 161 HD12 LEU 23 HD12 LEU 23 13.361 -8.761 -8.283 162 HD13 LEU 23 HD13 LEU 23 15.122 -8.301 -8.064 163 HD21 LEU 23 HD21 LEU 23 11.709 -6.762 -8.504 164 HD22 LEU 23 HD22 LEU 23 12.907 -5.699 -9.348 165 HD23 LEU 23 HD23 LEU 23 12.211 -5.191 -7.799 166 H THR 24 H THR 24 14.449 -6.042 -3.041 167 HA THR 24 HA THR 24 12.505 -7.654 -1.400 168 HB THR 24 HB THR 24 14.857 -6.001 -0.405 169 HG1 THR 24 HG1 THR 24 15.524 -8.257 0.237 170 HG21 THR 24 HG21 THR 24 14.405 -7.111 1.735 171 HG22 THR 24 HG22 THR 24 13.010 -7.913 1.043 172 HG23 THR 24 HG23 THR 24 13.031 -6.147 1.241 173 H PHE 25 H PHE 25 10.693 -6.562 -0.838 174 HA PHE 25 HA PHE 25 10.701 -3.604 -1.361 175 HB2 PHE 25 HB2 PHE 25 8.365 -5.596 -1.476 176 HB3 PHE 25 HB3 PHE 25 8.285 -3.879 -1.853 177 HD1 PHE 25 HD1 PHE 25 9.454 -2.975 -3.899 178 HD2 PHE 25 HD2 PHE 25 9.117 -7.184 -3.031 179 HE1 PHE 25 HE1 PHE 25 9.949 -3.493 -6.292 180 HE2 PHE 25 HE2 PHE 25 9.609 -7.709 -5.431 181 HZ PHE 25 HZ PHE 25 9.963 -5.834 -7.098 182 H SER 26 H SER 26 9.313 -2.287 -0.101 183 HA SER 26 HA SER 26 9.415 -2.839 2.774 184 HB2 SER 26 HB2 SER 26 8.456 -0.637 2.986 185 HB3 SER 26 HB3 SER 26 9.774 -0.619 1.764 186 HG SER 26 HG SER 26 7.985 0.490 0.904 187 H GLU 27 H GLU 27 7.126 -3.661 0.390 188 HA GLU 27 HA GLU 27 5.030 -4.138 2.451 189 HB2 GLU 27 HB2 GLU 27 4.554 -2.024 1.139 190 HB3 GLU 27 HB3 GLU 27 4.673 -2.996 -0.348 191 HG2 GLU 27 HG2 GLU 27 2.394 -2.721 0.046 192 HG3 GLU 27 HG3 GLU 27 2.747 -4.375 0.547 193 H GLY 28 H GLY 28 4.076 -6.233 2.121 194 HA2 GLY 28 HA2 GLY 28 5.593 -8.011 0.471 195 HA3 GLY 28 HA3 GLY 28 4.074 -8.400 1.298 196 H VAL 29 H VAL 29 5.033 -9.184 -1.424 197 HA VAL 29 HA VAL 29 2.856 -7.844 -2.961 198 HB VAL 29 HB VAL 29 4.273 -8.053 -4.987 199 HG11 VAL 29 HG11 VAL 29 4.294 -5.966 -3.605 200 HG12 VAL 29 HG12 VAL 29 5.781 -6.587 -2.800 201 HG13 VAL 29 HG13 VAL 29 5.837 -6.249 -4.529 202 HG21 VAL 29 HG21 VAL 29 5.612 -10.028 -4.228 203 HG22 VAL 29 HG22 VAL 29 6.599 -8.715 -4.915 204 HG23 VAL 29 HG23 VAL 29 6.527 -8.931 -3.130 205 H GLU 30 H GLU 30 1.899 -9.037 -4.676 206 HA GLU 30 HA GLU 30 1.660 -11.928 -4.083 207 HB2 GLU 30 HB2 GLU 30 0.105 -10.077 -5.975 208 HB3 GLU 30 HB3 GLU 30 -0.175 -11.803 -5.770 209 HG2 GLU 30 HG2 GLU 30 -0.515 -9.797 -3.531 210 HG3 GLU 30 HG3 GLU 30 -1.800 -10.511 -4.570 211 H ALA 31 H ALA 31 3.483 -12.874 -4.985 212 HA ALA 31 HA ALA 31 4.809 -12.090 -7.308 213 HB1 ALA 31 HB1 ALA 31 5.796 -14.319 -7.302 214 HB2 ALA 31 HB2 ALA 31 5.777 -13.574 -5.673 215 HB3 ALA 31 HB3 ALA 31 4.594 -14.841 -6.128 216 H THR 32 H THR 32 1.958 -14.110 -6.995 217 HA THR 32 HA THR 32 1.899 -15.328 -9.551 218 HB THR 32 HB THR 32 -0.426 -14.309 -7.838 219 HG1 THR 32 HG1 THR 32 1.273 -16.549 -7.667 220 HG21 THR 32 HG21 THR 32 -1.260 -15.091 -10.012 221 HG22 THR 32 HG22 THR 32 -1.605 -16.314 -8.806 222 HG23 THR 32 HG23 THR 32 -0.281 -16.542 -9.931 223 H PHE 33 H PHE 33 0.965 -12.020 -8.552 224 HA PHE 33 HA PHE 33 0.074 -11.449 -11.346 225 HB2 PHE 33 HB2 PHE 33 -0.516 -9.903 -8.827 226 HB3 PHE 33 HB3 PHE 33 -1.149 -9.561 -10.465 227 HD1 PHE 33 HD1 PHE 33 -2.960 -10.926 -11.390 228 HD2 PHE 33 HD2 PHE 33 -1.267 -11.858 -7.544 229 HE1 PHE 33 HE1 PHE 33 -4.901 -12.436 -10.926 230 HE2 PHE 33 HE2 PHE 33 -3.139 -13.429 -7.112 231 HZ PHE 33 HZ PHE 33 -4.978 -13.669 -8.787 232 H THR 34 H THR 34 2.776 -11.137 -9.471 233 HA THR 34 HA THR 34 3.526 -8.395 -10.150 234 HB THR 34 HB THR 34 5.290 -10.772 -9.392 235 HG1 THR 34 HG1 THR 34 3.620 -9.943 -7.829 236 HG21 THR 34 HG21 THR 34 6.911 -9.002 -8.635 237 HG22 THR 34 HG22 THR 34 5.868 -7.754 -9.314 238 HG23 THR 34 HG23 THR 34 6.628 -8.951 -10.400 239 H LYS 35 H LYS 35 4.514 -7.741 -12.020 240 HA LYS 35 HA LYS 35 5.093 -9.827 -14.063 241 HB2 LYS 35 HB2 LYS 35 3.135 -8.434 -14.592 242 HB3 LYS 35 HB3 LYS 35 4.170 -7.012 -14.506 243 HG2 LYS 35 HG2 LYS 35 5.505 -7.883 -16.385 244 HG3 LYS 35 HG3 LYS 35 4.405 -9.295 -16.501 245 HD2 LYS 35 HD2 LYS 35 2.516 -7.752 -16.842 246 HD3 LYS 35 HD3 LYS 35 3.630 -6.382 -16.815 247 HE2 LYS 35 HE2 LYS 35 4.872 -7.384 -18.733 248 HE3 LYS 35 HE3 LYS 35 3.657 -8.705 -18.803 249 HZ1 LYS 35 HZ1 LYS 35 3.240 -6.936 -20.385 250 HZ2 LYS 35 HZ2 LYS 35 3.092 -5.845 -19.141 251 HZ3 LYS 35 HZ3 LYS 35 1.974 -7.087 -19.307 252 H VAL 36 H VAL 36 7.214 -9.951 -14.768 253 HA VAL 36 HA VAL 36 8.894 -7.541 -14.299 254 HB VAL 36 HB VAL 36 9.715 -10.434 -13.768 255 HG11 VAL 36 HG11 VAL 36 11.313 -7.807 -13.828 256 HG12 VAL 36 HG12 VAL 36 11.847 -9.184 -12.845 257 HG13 VAL 36 HG13 VAL 36 11.690 -9.365 -14.635 258 HG21 VAL 36 HG21 VAL 36 9.417 -8.098 -11.789 259 HG22 VAL 36 HG22 VAL 36 8.317 -9.481 -11.872 260 HG23 VAL 36 HG23 VAL 36 10.003 -9.699 -11.414 261 H SER 37 H SER 37 10.118 -6.952 -16.014 262 HA SER 37 HA SER 37 10.445 -8.878 -18.192 263 HB2 SER 37 HB2 SER 37 9.731 -5.920 -18.448 264 HB3 SER 37 HB3 SER 37 10.102 -6.990 -19.829 265 HG SER 37 HG SER 37 7.799 -6.615 -19.033 266 H LEU 38 H LEU 38 12.454 -8.785 -19.219 267 HA LEU 38 HA LEU 38 14.501 -6.955 -18.001 268 HB2 LEU 38 HB2 LEU 38 14.686 -9.305 -17.130 269 HB3 LEU 38 HB3 LEU 38 14.796 -9.868 -18.790 270 HG LEU 38 HG LEU 38 16.963 -8.691 -19.085 271 HD11 LEU 38 HD11 LEU 38 16.754 -8.209 -16.093 272 HD12 LEU 38 HD12 LEU 38 16.767 -6.952 -17.383 273 HD13 LEU 38 HD13 LEU 38 18.190 -7.974 -17.110 274 HD21 LEU 38 HD21 LEU 38 16.885 -10.620 -16.705 275 HD22 LEU 38 HD22 LEU 38 18.261 -10.309 -17.794 276 HD23 LEU 38 HD23 LEU 38 16.787 -11.068 -18.428 277 H SER 39 H SER 39 15.693 -5.895 -19.529 278 HA SER 39 HA SER 39 15.518 -6.952 -22.315 279 HB2 SER 39 HB2 SER 39 15.047 -4.045 -21.524 280 HB3 SER 39 HB3 SER 39 15.190 -4.638 -23.179 281 HG SER 39 HG SER 39 13.232 -5.386 -21.287 282 H LYS 40 H LYS 40 17.283 -6.357 -23.634 283 HA LYS 40 HA LYS 40 19.544 -4.942 -22.193 284 HB2 LYS 40 HB2 LYS 40 21.157 -6.578 -23.020 285 HB3 LYS 40 HB3 LYS 40 19.881 -7.393 -22.086 286 HG2 LYS 40 HG2 LYS 40 18.787 -8.058 -24.185 287 HG3 LYS 40 HG3 LYS 40 20.130 -7.347 -25.091 288 HD2 LYS 40 HD2 LYS 40 20.330 -9.589 -23.074 289 HD3 LYS 40 HD3 LYS 40 20.263 -9.808 -24.834 290 HE2 LYS 40 HE2 LYS 40 22.423 -8.293 -23.350 291 HE3 LYS 40 HE3 LYS 40 22.549 -9.933 -24.014 292 HZ1 LYS 40 HZ1 LYS 40 21.996 -7.568 -25.691 293 HZ2 LYS 40 HZ2 LYS 40 22.345 -9.089 -26.194 294 HZ3 LYS 40 HZ3 LYS 40 23.498 -8.200 -25.451 295 H ASP 41 H ASP 41 20.302 -3.287 -23.331 296 HA ASP 41 HA ASP 41 20.523 -1.828 -25.077 297 HB2 ASP 41 HB2 ASP 41 20.824 -4.370 -26.695 298 HB3 ASP 41 HB3 ASP 41 21.190 -2.758 -27.269 299 H GLY 42 H GLY 42 17.808 -2.705 -24.290 300 HA2 GLY 42 HA2 GLY 42 15.728 -1.975 -24.999 301 HA3 GLY 42 HA3 GLY 42 16.350 -1.630 -26.597 302 H THR 43 H THR 43 17.022 -4.918 -25.802 303 HA THR 43 HA THR 43 14.475 -5.757 -27.204 304 HB THR 43 HB THR 43 17.287 -7.029 -27.260 305 HG1 THR 43 HG1 THR 43 17.590 -5.577 -28.805 306 HG21 THR 43 HG21 THR 43 14.872 -7.658 -28.955 307 HG22 THR 43 HG22 THR 43 15.318 -8.574 -27.508 308 HG23 THR 43 HG23 THR 43 16.431 -8.535 -28.908 309 H GLU 44 H GLU 44 13.223 -7.153 -26.070 310 HA GLU 44 HA GLU 44 13.727 -7.758 -23.341 311 HB2 GLU 44 HB2 GLU 44 11.585 -8.897 -25.185 312 HB3 GLU 44 HB3 GLU 44 11.694 -9.013 -23.407 313 HG2 GLU 44 HG2 GLU 44 11.602 -6.503 -23.323 314 HG3 GLU 44 HG3 GLU 44 11.290 -6.463 -25.052 315 H VAL 45 H VAL 45 14.162 -9.526 -22.217 316 HA VAL 45 HA VAL 45 15.401 -11.851 -23.678 317 HB VAL 45 HB VAL 45 16.021 -10.647 -20.904 318 HG11 VAL 45 HG11 VAL 45 18.017 -12.205 -20.985 319 HG12 VAL 45 HG12 VAL 45 16.473 -13.018 -20.843 320 HG13 VAL 45 HG13 VAL 45 17.316 -12.964 -22.426 321 HG21 VAL 45 HG21 VAL 45 16.801 -9.202 -22.738 322 HG22 VAL 45 HG22 VAL 45 18.181 -10.003 -21.903 323 HG23 VAL 45 HG23 VAL 45 17.675 -10.600 -23.475 324 H ALA 46 H ALA 46 14.775 -13.919 -23.022 325 HA ALA 46 HA ALA 46 12.226 -14.075 -21.731 326 HB1 ALA 46 HB1 ALA 46 14.251 -16.259 -22.509 327 HB2 ALA 46 HB2 ALA 46 12.557 -16.556 -22.061 328 HB3 ALA 46 HB3 ALA 46 12.931 -15.645 -23.537 329 H ILE 47 H ILE 47 11.658 -15.035 -19.803 330 HA ILE 47 HA ILE 47 13.770 -15.291 -17.698 331 HB ILE 47 HB ILE 47 11.009 -14.010 -17.486 332 HG12 ILE 47 HG12 ILE 47 13.770 -12.755 -17.136 333 HG13 ILE 47 HG13 ILE 47 12.840 -12.681 -18.630 334 HG21 ILE 47 HG21 ILE 47 11.550 -13.580 -15.163 335 HG22 ILE 47 HG22 ILE 47 11.667 -15.310 -15.487 336 HG23 ILE 47 HG23 ILE 47 13.113 -14.347 -15.309 337 HD11 ILE 47 HD11 ILE 47 11.019 -11.438 -17.437 338 HD12 ILE 47 HD12 ILE 47 11.981 -11.461 -15.962 339 HD13 ILE 47 HD13 ILE 47 12.536 -10.601 -17.390 340 H LYS 48 H LYS 48 13.651 -17.184 -16.529 341 HA LYS 48 HA LYS 48 11.971 -19.291 -17.543 342 HB2 LYS 48 HB2 LYS 48 14.185 -19.605 -16.371 343 HB3 LYS 48 HB3 LYS 48 13.418 -19.116 -14.862 344 HG2 LYS 48 HG2 LYS 48 13.560 -21.425 -14.712 345 HG3 LYS 48 HG3 LYS 48 11.874 -21.078 -15.073 346 HD2 LYS 48 HD2 LYS 48 12.427 -22.964 -16.307 347 HD3 LYS 48 HD3 LYS 48 12.424 -21.646 -17.504 348 HE2 LYS 48 HE2 LYS 48 14.875 -21.487 -17.292 349 HE3 LYS 48 HE3 LYS 48 14.844 -22.792 -16.066 350 HZ1 LYS 48 HZ1 LYS 48 14.068 -24.321 -17.757 351 HZ2 LYS 48 HZ2 LYS 48 15.420 -23.550 -18.349 352 HZ3 LYS 48 HZ3 LYS 48 13.919 -23.096 -18.893 353 H GLY 49 H GLY 49 11.703 -17.160 -14.656 354 HA2 GLY 49 HA2 GLY 49 8.901 -17.191 -14.545 355 HA3 GLY 49 HA3 GLY 49 9.413 -18.515 -13.518 356 H LEU 50 H LEU 50 8.276 -16.881 -11.942 357 HA LEU 50 HA LEU 50 10.456 -15.541 -10.528 358 HB2 LEU 50 HB2 LEU 50 9.383 -13.474 -10.129 359 HB3 LEU 50 HB3 LEU 50 9.489 -13.710 -11.881 360 HG LEU 50 HG LEU 50 6.957 -14.106 -10.263 361 HD11 LEU 50 HD11 LEU 50 6.312 -11.918 -11.074 362 HD12 LEU 50 HD12 LEU 50 7.791 -11.770 -12.015 363 HD13 LEU 50 HD13 LEU 50 7.823 -11.766 -10.255 364 HD21 LEU 50 HD21 LEU 50 6.758 -15.350 -12.306 365 HD22 LEU 50 HD22 LEU 50 7.429 -13.992 -13.250 366 HD23 LEU 50 HD23 LEU 50 5.837 -13.833 -12.477 367 H GLU 51 H GLU 51 10.086 -15.493 -8.266 368 HA GLU 51 HA GLU 51 7.541 -16.621 -7.243 369 HB2 GLU 51 HB2 GLU 51 8.558 -18.568 -6.287 370 HB3 GLU 51 HB3 GLU 51 8.849 -18.576 -8.042 371 HG2 GLU 51 HG2 GLU 51 11.163 -17.764 -7.640 372 HG3 GLU 51 HG3 GLU 51 10.838 -17.832 -5.894 373 H THR 52 H THR 52 7.621 -16.898 -4.850 374 HA THR 52 HA THR 52 9.674 -15.174 -3.527 375 HB THR 52 HB THR 52 8.034 -14.784 -1.707 376 HG1 THR 52 HG1 THR 52 6.628 -16.484 -2.060 377 HG21 THR 52 HG21 THR 52 6.377 -13.390 -3.174 378 HG22 THR 52 HG22 THR 52 7.553 -13.730 -4.457 379 HG23 THR 52 HG23 THR 52 8.054 -12.868 -2.945 380 HA PRO 53 HA PRO 53 10.137 -19.438 -2.255 381 HB2 PRO 53 HB2 PRO 53 12.727 -19.458 -1.425 382 HB3 PRO 53 HB3 PRO 53 12.310 -19.447 -3.161 383 HG2 PRO 53 HG2 PRO 53 13.026 -17.195 -1.299 384 HG3 PRO 53 HG3 PRO 53 13.733 -17.651 -2.877 385 HD2 PRO 53 HD2 PRO 53 11.825 -15.711 -2.728 386 HD3 PRO 53 HD3 PRO 53 11.842 -16.887 -4.077 387 H ASP 54 H ASP 54 10.851 -16.595 -0.355 388 HA ASP 54 HA ASP 54 11.268 -17.850 2.213 389 HB2 ASP 54 HB2 ASP 54 10.299 -15.101 1.351 390 HB3 ASP 54 HB3 ASP 54 10.713 -15.544 3.048 391 H ALA 55 H ALA 55 9.893 -17.785 4.030 392 HA ALA 55 HA ALA 55 7.184 -18.716 3.583 393 HB1 ALA 55 HB1 ALA 55 8.518 -17.625 6.114 394 HB2 ALA 55 HB2 ALA 55 6.964 -18.470 6.049 395 HB3 ALA 55 HB3 ALA 55 8.462 -19.311 5.631 396 H ASP 56 H ASP 56 8.618 -15.542 4.076 397 HA ASP 56 HA ASP 56 5.938 -14.303 4.034 398 HB2 ASP 56 HB2 ASP 56 7.062 -12.246 4.688 399 HB3 ASP 56 HB3 ASP 56 7.471 -13.528 5.857 400 H LYS 57 H LYS 57 5.621 -12.465 2.479 401 HA LYS 57 HA LYS 57 7.049 -13.244 -0.022 402 HB2 LYS 57 HB2 LYS 57 4.341 -11.868 0.370 403 HB3 LYS 57 HB3 LYS 57 4.993 -12.378 -1.181 404 HG2 LYS 57 HG2 LYS 57 4.942 -14.768 -0.368 405 HG3 LYS 57 HG3 LYS 57 4.273 -14.197 1.155 406 HD2 LYS 57 HD2 LYS 57 2.401 -15.001 -0.144 407 HD3 LYS 57 HD3 LYS 57 2.258 -13.225 -0.106 408 HE2 LYS 57 HE2 LYS 57 1.797 -14.080 -2.369 409 HE3 LYS 57 HE3 LYS 57 3.415 -13.347 -2.434 410 HZ1 LYS 57 HZ1 LYS 57 3.331 -15.572 -3.481 411 HZ2 LYS 57 HZ2 LYS 57 2.935 -16.261 -2.041 412 HZ3 LYS 57 HZ3 LYS 57 4.405 -15.520 -2.245 413 H LYS 58 H LYS 58 8.255 -11.474 1.790 414 HA LYS 58 HA LYS 58 7.975 -8.780 0.680 415 HB2 LYS 58 HB2 LYS 58 9.911 -9.815 2.728 416 HB3 LYS 58 HB3 LYS 58 9.677 -8.106 2.283 417 HG2 LYS 58 HG2 LYS 58 7.312 -8.247 3.047 418 HG3 LYS 58 HG3 LYS 58 7.580 -9.927 3.554 419 HD2 LYS 58 HD2 LYS 58 9.370 -9.163 5.125 420 HD3 LYS 58 HD3 LYS 58 9.069 -7.489 4.624 421 HE2 LYS 58 HE2 LYS 58 6.723 -7.666 5.458 422 HE3 LYS 58 HE3 LYS 58 7.000 -9.300 6.006 423 HZ1 LYS 58 HZ1 LYS 58 8.518 -8.582 7.596 424 HZ2 LYS 58 HZ2 LYS 58 7.276 -7.473 7.680 425 HZ3 LYS 58 HZ3 LYS 58 8.673 -7.093 6.914 426 H THR 59 H THR 59 9.877 -11.538 -0.011 427 HA THR 59 HA THR 59 11.753 -9.872 -1.621 428 HB THR 59 HB THR 59 12.343 -12.572 -0.458 429 HG1 THR 59 HG1 THR 59 12.260 -11.129 1.228 430 HG21 THR 59 HG21 THR 59 14.744 -11.888 -0.957 431 HG22 THR 59 HG22 THR 59 14.052 -10.578 -1.958 432 HG23 THR 59 HG23 THR 59 13.732 -12.287 -2.345 433 H LEU 60 H LEU 60 11.609 -10.090 -3.723 434 HA LEU 60 HA LEU 60 10.117 -12.427 -4.835 435 HB2 LEU 60 HB2 LEU 60 9.198 -10.180 -5.142 436 HB3 LEU 60 HB3 LEU 60 10.680 -9.671 -5.947 437 HG LEU 60 HG LEU 60 8.752 -9.948 -7.424 438 HD11 LEU 60 HD11 LEU 60 11.033 -10.272 -8.246 439 HD12 LEU 60 HD12 LEU 60 9.752 -11.013 -9.260 440 HD13 LEU 60 HD13 LEU 60 10.768 -12.036 -8.181 441 HD21 LEU 60 HD21 LEU 60 7.854 -12.181 -7.920 442 HD22 LEU 60 HD22 LEU 60 7.644 -11.771 -6.197 443 HD23 LEU 60 HD23 LEU 60 8.922 -12.897 -6.744 444 H VAL 61 H VAL 61 11.191 -13.797 -6.309 445 HA VAL 61 HA VAL 61 14.029 -13.033 -6.946 446 HB VAL 61 HB VAL 61 12.897 -15.796 -6.316 447 HG11 VAL 61 HG11 VAL 61 15.276 -16.577 -6.421 448 HG12 VAL 61 HG12 VAL 61 14.620 -15.991 -7.971 449 HG13 VAL 61 HG13 VAL 61 15.715 -14.983 -7.034 450 HG21 VAL 61 HG21 VAL 61 14.835 -14.011 -4.716 451 HG22 VAL 61 HG22 VAL 61 13.159 -14.435 -4.244 452 HG23 VAL 61 HG23 VAL 61 14.425 -15.672 -4.290 453 H VAL 62 H VAL 62 14.679 -13.148 -8.978 454 HA VAL 62 HA VAL 62 12.721 -14.175 -11.022 455 HB VAL 62 HB VAL 62 14.680 -11.837 -11.217 456 HG11 VAL 62 HG11 VAL 62 14.368 -13.051 -13.385 457 HG12 VAL 62 HG12 VAL 62 12.587 -12.756 -13.220 458 HG13 VAL 62 HG13 VAL 62 13.723 -11.370 -13.385 459 HG21 VAL 62 HG21 VAL 62 12.724 -10.371 -11.288 460 HG22 VAL 62 HG22 VAL 62 11.627 -11.772 -11.129 461 HG23 VAL 62 HG23 VAL 62 12.695 -11.326 -9.780 462 H THR 63 H THR 63 13.559 -15.714 -12.460 463 HA THR 63 HA THR 63 16.505 -16.128 -12.390 464 HB THR 63 HB THR 63 14.383 -18.234 -12.863 465 HG1 THR 63 HG1 THR 63 14.522 -18.702 -10.781 466 HG21 THR 63 HG21 THR 63 16.282 -19.773 -12.473 467 HG22 THR 63 HG22 THR 63 17.373 -18.369 -12.419 468 HG23 THR 63 HG23 THR 63 16.494 -18.763 -13.932 469 HA PRO 64 HA PRO 64 15.996 -14.991 -16.691 470 HB2 PRO 64 HB2 PRO 64 18.572 -15.185 -17.529 471 HB3 PRO 64 HB3 PRO 64 18.069 -13.881 -16.434 472 HG2 PRO 64 HG2 PRO 64 19.343 -16.491 -15.724 473 HG3 PRO 64 HG3 PRO 64 19.862 -14.846 -15.288 474 HD2 PRO 64 HD2 PRO 64 18.327 -16.315 -13.560 475 HD3 PRO 64 HD3 PRO 64 18.024 -14.553 -13.792 476 H ALA 65 H ALA 65 15.906 -16.093 -18.727 477 HA ALA 65 HA ALA 65 15.904 -19.031 -18.478 478 HB1 ALA 65 HB1 ALA 65 14.784 -19.023 -20.651 479 HB2 ALA 65 HB2 ALA 65 13.951 -17.985 -19.486 480 HB3 ALA 65 HB3 ALA 65 14.969 -17.287 -20.754 481 H ALA 66 H ALA 66 18.163 -16.790 -19.384 482 HA ALA 66 HA ALA 66 19.781 -18.805 -20.828 483 HB1 ALA 66 HB1 ALA 66 20.397 -17.141 -22.660 484 HB2 ALA 66 HB2 ALA 66 18.673 -17.618 -22.699 485 HB3 ALA 66 HB3 ALA 66 19.089 -16.047 -22.038 486 HA PRO 67 HA PRO 67 22.625 -16.825 -18.135 487 HB2 PRO 67 HB2 PRO 67 25.073 -17.125 -19.360 488 HB3 PRO 67 HB3 PRO 67 24.190 -18.513 -18.687 489 HG2 PRO 67 HG2 PRO 67 24.309 -17.529 -21.525 490 HG3 PRO 67 HG3 PRO 67 24.595 -19.154 -20.922 491 HD2 PRO 67 HD2 PRO 67 22.165 -18.495 -21.909 492 HD3 PRO 67 HD3 PRO 67 22.268 -19.509 -20.410 493 H LEU 68 H LEU 68 23.771 -14.857 -17.823 494 HA LEU 68 HA LEU 68 23.344 -12.852 -19.992 495 HB2 LEU 68 HB2 LEU 68 24.109 -12.436 -17.106 496 HB3 LEU 68 HB3 LEU 68 23.722 -11.146 -18.244 497 HG LEU 68 HG LEU 68 21.755 -13.326 -17.305 498 HD11 LEU 68 HD11 LEU 68 20.700 -11.498 -16.034 499 HD12 LEU 68 HD12 LEU 68 22.033 -10.433 -16.447 500 HD13 LEU 68 HD13 LEU 68 22.362 -11.879 -15.472 501 HD21 LEU 68 HD21 LEU 68 20.038 -11.970 -18.285 502 HD22 LEU 68 HD22 LEU 68 21.229 -12.358 -19.550 503 HD23 LEU 68 HD23 LEU 68 21.214 -10.773 -18.810 504 H ALA 69 H ALA 69 24.916 -11.454 -20.684 505 HA ALA 69 HA ALA 69 27.749 -12.256 -20.260 506 HB1 ALA 69 HB1 ALA 69 26.556 -11.387 -22.930 507 HB2 ALA 69 HB2 ALA 69 28.209 -12.011 -22.652 508 HB3 ALA 69 HB3 ALA 69 26.791 -13.078 -22.482 509 H ALA 70 H ALA 70 29.176 -10.357 -21.189 510 HA ALA 70 HA ALA 70 28.590 -8.023 -19.681 511 HB1 ALA 70 HB1 ALA 70 30.868 -8.710 -20.382 512 HB2 ALA 70 HB2 ALA 70 30.463 -8.346 -22.094 513 HB3 ALA 70 HB3 ALA 70 30.537 -7.030 -20.858 514 H GLY 71 H GLY 71 27.807 -6.023 -20.088 515 HA2 GLY 71 HA2 GLY 71 27.288 -4.558 -22.248 516 HA3 GLY 71 HA3 GLY 71 26.079 -5.830 -22.488 517 H ASN 72 H ASN 72 24.854 -3.667 -22.373 518 HA ASN 72 HA ASN 72 24.224 -2.776 -19.599 519 HB2 ASN 72 HB2 ASN 72 24.699 -1.262 -21.541 520 HB3 ASN 72 HB3 ASN 72 23.199 -1.787 -22.288 521 HD21 ASN 72 HD21 ASN 72 24.577 0.607 -20.688 522 HD22 ASN 72 HD22 ASN 72 23.185 1.298 -19.878 523 H TYR 73 H TYR 73 22.384 -3.213 -18.530 524 HA TYR 73 HA TYR 73 20.126 -4.455 -20.024 525 HB2 TYR 73 HB2 TYR 73 21.215 -5.311 -17.287 526 HB3 TYR 73 HB3 TYR 73 19.741 -5.947 -18.048 527 HD1 TYR 73 HD1 TYR 73 19.762 -7.673 -19.671 528 HD2 TYR 73 HD2 TYR 73 23.402 -5.846 -18.426 529 HE1 TYR 73 HE1 TYR 73 21.016 -9.445 -20.875 530 HE2 TYR 73 HE2 TYR 73 24.697 -7.601 -19.615 531 HH TYR 73 HH TYR 73 24.614 -9.466 -20.823 532 H LYS 74 H LYS 74 18.041 -4.219 -19.195 533 HA LYS 74 HA LYS 74 17.629 -2.142 -17.100 534 HB2 LYS 74 HB2 LYS 74 17.318 -1.212 -19.419 535 HB3 LYS 74 HB3 LYS 74 16.124 -2.481 -19.717 536 HG2 LYS 74 HG2 LYS 74 14.851 -0.566 -19.317 537 HG3 LYS 74 HG3 LYS 74 14.748 -1.529 -17.820 538 HD2 LYS 74 HD2 LYS 74 14.955 0.708 -17.105 539 HD3 LYS 74 HD3 LYS 74 16.531 -0.017 -16.816 540 HE2 LYS 74 HE2 LYS 74 17.363 1.013 -18.919 541 HE3 LYS 74 HE3 LYS 74 15.746 1.694 -19.205 542 HZ1 LYS 74 HZ1 LYS 74 17.181 3.333 -18.264 543 HZ2 LYS 74 HZ2 LYS 74 17.524 2.402 -16.963 544 HZ3 LYS 74 HZ3 LYS 74 15.983 2.954 -17.178 545 H VAL 75 H VAL 75 16.111 -2.657 -15.605 546 HA VAL 75 HA VAL 75 14.546 -5.183 -16.080 547 HB VAL 75 HB VAL 75 15.573 -4.015 -13.430 548 HG11 VAL 75 HG11 VAL 75 14.618 -6.118 -12.438 549 HG12 VAL 75 HG12 VAL 75 13.373 -5.078 -13.150 550 HG13 VAL 75 HG13 VAL 75 13.919 -6.541 -14.044 551 HG21 VAL 75 HG21 VAL 75 16.353 -6.675 -14.712 552 HG22 VAL 75 HG22 VAL 75 17.312 -5.161 -14.916 553 HG23 VAL 75 HG23 VAL 75 17.073 -5.865 -13.303 554 H VAL 76 H VAL 76 12.412 -4.842 -16.096 555 HA VAL 76 HA VAL 76 11.341 -2.266 -14.952 556 HB VAL 76 HB VAL 76 10.452 -3.728 -17.467 557 HG11 VAL 76 HG11 VAL 76 8.873 -1.804 -17.700 558 HG12 VAL 76 HG12 VAL 76 8.532 -2.842 -16.321 559 HG13 VAL 76 HG13 VAL 76 9.352 -1.263 -16.040 560 HG21 VAL 76 HG21 VAL 76 11.745 -0.990 -17.075 561 HG22 VAL 76 HG22 VAL 76 12.517 -2.414 -17.805 562 HG23 VAL 76 HG23 VAL 76 11.166 -1.659 -18.597 563 H TRP 77 H TRP 77 9.732 -2.637 -13.364 564 HA TRP 77 HA TRP 77 8.476 -5.301 -13.441 565 HB2 TRP 77 HB2 TRP 77 8.821 -5.627 -11.044 566 HB3 TRP 77 HB3 TRP 77 10.266 -5.665 -11.963 567 HD1 TRP 77 HD1 TRP 77 12.035 -3.656 -11.592 568 HE1 TRP 77 HE1 TRP 77 12.381 -1.833 -9.862 569 HE3 TRP 77 HE3 TRP 77 7.513 -4.057 -9.337 570 HZ2 TRP 77 HZ2 TRP 77 10.797 -0.615 -7.845 571 HZ3 TRP 77 HZ3 TRP 77 6.985 -2.530 -7.423 572 HH2 TRP 77 HH2 TRP 77 8.584 -0.750 -6.771 573 H ASN 78 H ASN 78 6.482 -5.532 -12.548 574 HA ASN 78 HA ASN 78 5.062 -3.090 -11.553 575 HB2 ASN 78 HB2 ASN 78 4.037 -5.313 -13.297 576 HB3 ASN 78 HB3 ASN 78 3.032 -3.983 -12.692 577 HD21 ASN 78 HD21 ASN 78 4.348 -1.747 -13.103 578 HD22 ASN 78 HD22 ASN 78 4.802 -1.524 -14.791 579 H ALA 79 H ALA 79 4.273 -3.484 -9.437 580 HA ALA 79 HA ALA 79 4.064 -6.397 -8.723 581 HB1 ALA 79 HB1 ALA 79 4.961 -4.205 -6.872 582 HB2 ALA 79 HB2 ALA 79 4.955 -5.939 -6.562 583 HB3 ALA 79 HB3 ALA 79 6.083 -5.261 -7.759 584 H VAL 80 H VAL 80 2.371 -7.023 -7.454 585 HA VAL 80 HA VAL 80 0.361 -4.896 -7.004 586 HB VAL 80 HB VAL 80 -0.125 -7.938 -7.350 587 HG11 VAL 80 HG11 VAL 80 -2.091 -5.615 -6.976 588 HG12 VAL 80 HG12 VAL 80 -2.525 -7.252 -7.448 589 HG13 VAL 80 HG13 VAL 80 -1.792 -6.944 -5.822 590 HG21 VAL 80 HG21 VAL 80 0.471 -6.947 -9.510 591 HG22 VAL 80 HG22 VAL 80 -1.292 -7.159 -9.470 592 HG23 VAL 80 HG23 VAL 80 -0.604 -5.582 -9.250 593 H SER 81 H SER 81 -0.005 -4.465 -4.904 594 HA SER 81 HA SER 81 1.569 -5.787 -2.951 595 HB2 SER 81 HB2 SER 81 1.205 -3.384 -2.959 596 HB3 SER 81 HB3 SER 81 -0.556 -3.643 -2.747 597 HG SER 81 HG SER 81 1.575 -4.119 -0.935 598 H VAL 82 H VAL 82 0.786 -6.696 -0.913 599 HA VAL 82 HA VAL 82 -1.674 -8.261 -1.193 600 HB VAL 82 HB VAL 82 -1.203 -9.014 1.152 601 HG11 VAL 82 HG11 VAL 82 0.033 -10.139 -0.581 602 HG12 VAL 82 HG12 VAL 82 1.317 -8.923 -0.529 603 HG13 VAL 82 HG13 VAL 82 0.982 -10.012 0.832 604 HG21 VAL 82 HG21 VAL 82 0.756 -8.132 2.396 605 HG22 VAL 82 HG22 VAL 82 1.106 -6.976 1.053 606 HG23 VAL 82 HG23 VAL 82 -0.382 -6.826 2.051 607 H ASP 83 H ASP 83 -0.859 -5.098 -0.344 608 HA ASP 83 HA ASP 83 -3.325 -4.657 1.274 609 HB2 ASP 83 HB2 ASP 83 -0.988 -3.645 1.781 610 HB3 ASP 83 HB3 ASP 83 -1.257 -2.620 0.346 611 H THR 84 H THR 84 -3.214 -5.428 -1.651 612 HA THR 84 HA THR 84 -4.221 -5.123 -3.594 613 HB THR 84 HB THR 84 -6.361 -3.919 -3.752 614 HG1 THR 84 HG1 THR 84 -5.258 -2.527 -1.540 615 HG21 THR 84 HG21 THR 84 -7.529 -4.797 -1.780 616 HG22 THR 84 HG22 THR 84 -6.014 -4.993 -0.902 617 HG23 THR 84 HG23 THR 84 -6.380 -5.997 -2.331 618 H HIS 85 H HIS 85 -2.524 -2.390 -2.515 619 HA HIS 85 HA HIS 85 -3.056 -0.581 -4.679 620 HB2 HIS 85 HB2 HIS 85 -0.603 -0.946 -2.921 621 HB3 HIS 85 HB3 HIS 85 -0.879 0.397 -4.062 622 HD1 HIS 85 HD1 HIS 85 -3.124 1.938 -3.465 623 HD2 HIS 85 HD2 HIS 85 -1.631 -0.544 -0.496 624 HE1 HIS 85 HE1 HIS 85 -4.020 2.842 -1.252 625 H LYS 86 H LYS 86 -1.642 -0.101 -6.529 626 HA LYS 86 HA LYS 86 0.038 -2.415 -7.386 627 HB2 LYS 86 HB2 LYS 86 -1.626 -0.481 -9.024 628 HB3 LYS 86 HB3 LYS 86 -0.271 -1.381 -9.702 629 HG2 LYS 86 HG2 LYS 86 -2.286 -2.584 -10.338 630 HG3 LYS 86 HG3 LYS 86 -1.417 -3.561 -9.094 631 HD2 LYS 86 HD2 LYS 86 -2.972 -2.744 -7.407 632 HD3 LYS 86 HD3 LYS 86 -3.879 -1.869 -8.638 633 HE2 LYS 86 HE2 LYS 86 -3.396 -4.863 -8.571 634 HE3 LYS 86 HE3 LYS 86 -4.898 -4.023 -8.128 635 HZ1 LYS 86 HZ1 LYS 86 -5.134 -3.339 -10.402 636 HZ2 LYS 86 HZ2 LYS 86 -4.975 -5.000 -10.287 637 HZ3 LYS 86 HZ3 LYS 86 -3.712 -4.111 -10.827 638 H SER 87 H SER 87 2.081 -1.970 -8.233 639 HA SER 87 HA SER 87 2.991 0.867 -7.956 640 HB2 SER 87 HB2 SER 87 4.176 -1.515 -6.488 641 HB3 SER 87 HB3 SER 87 4.846 0.136 -6.520 642 HG SER 87 HG SER 87 2.491 0.579 -5.860 643 H ASN 88 H ASN 88 5.171 1.128 -8.941 644 HA ASN 88 HA ASN 88 6.111 -1.082 -10.612 645 HB2 ASN 88 HB2 ASN 88 5.876 0.126 -12.730 646 HB3 ASN 88 HB3 ASN 88 4.285 -0.125 -11.983 647 HD21 ASN 88 HD21 ASN 88 3.007 1.611 -12.246 648 HD22 ASN 88 HD22 ASN 88 3.591 3.255 -12.182 649 H GLY 89 H GLY 89 8.139 -0.454 -11.910 650 HA2 GLY 89 HA2 GLY 89 9.530 1.943 -11.348 651 HA3 GLY 89 HA3 GLY 89 9.990 0.722 -10.159 652 H GLU 90 H GLU 90 12.023 1.622 -11.739 653 HA GLU 90 HA GLU 90 12.668 -0.793 -13.282 654 HB2 GLU 90 HB2 GLU 90 13.076 0.315 -15.374 655 HB3 GLU 90 HB3 GLU 90 11.411 0.590 -14.875 656 HG2 GLU 90 HG2 GLU 90 12.038 2.906 -14.132 657 HG3 GLU 90 HG3 GLU 90 13.678 2.555 -14.721 658 H TYR 91 H TYR 91 14.959 -1.001 -13.654 659 HA TYR 91 HA TYR 91 16.653 1.271 -12.911 660 HB2 TYR 91 HB2 TYR 91 18.003 0.007 -11.265 661 HB3 TYR 91 HB3 TYR 91 16.351 0.198 -10.708 662 HD1 TYR 91 HD1 TYR 91 14.886 -1.756 -10.526 663 HD2 TYR 91 HD2 TYR 91 18.926 -2.208 -11.797 664 HE1 TYR 91 HE1 TYR 91 14.778 -4.265 -10.030 665 HE2 TYR 91 HE2 TYR 91 18.822 -4.666 -11.285 666 HH TYR 91 HH TYR 91 15.939 -6.238 -9.954 667 H SER 92 H SER 92 18.949 0.877 -13.531 668 HA SER 92 HA SER 92 19.186 -1.382 -15.475 669 HB2 SER 92 HB2 SER 92 20.367 0.139 -17.035 670 HB3 SER 92 HB3 SER 92 18.738 0.727 -16.673 671 HG SER 92 HG SER 92 21.211 1.663 -15.634 672 H PHE 93 H PHE 93 21.379 -2.029 -15.955 673 HA PHE 93 HA PHE 93 23.516 -1.104 -14.178 674 HB2 PHE 93 HB2 PHE 93 23.854 -3.203 -12.997 675 HB3 PHE 93 HB3 PHE 93 22.224 -2.645 -12.679 676 HD1 PHE 93 HD1 PHE 93 20.287 -3.888 -13.433 677 HD2 PHE 93 HD2 PHE 93 24.242 -5.200 -14.498 678 HE1 PHE 93 HE1 PHE 93 19.382 -6.132 -14.194 679 HE2 PHE 93 HE2 PHE 93 23.358 -7.378 -15.238 680 HZ PHE 93 HZ PHE 93 20.959 -7.866 -15.094 681 H LYS 94 H LYS 94 25.561 -2.549 -14.653 682 HA LYS 94 HA LYS 94 25.379 -3.493 -17.477 683 HB2 LYS 94 HB2 LYS 94 26.399 -1.211 -17.333 684 HB3 LYS 94 HB3 LYS 94 27.657 -1.853 -16.257 685 HG2 LYS 94 HG2 LYS 94 28.481 -3.261 -18.163 686 HG3 LYS 94 HG3 LYS 94 27.202 -2.579 -19.241 687 HD2 LYS 94 HD2 LYS 94 28.066 -0.298 -18.851 688 HD3 LYS 94 HD3 LYS 94 29.410 -0.976 -17.873 689 HE2 LYS 94 HE2 LYS 94 30.118 -2.330 -19.937 690 HE3 LYS 94 HE3 LYS 94 28.792 -1.519 -20.823 691 HZ1 LYS 94 HZ1 LYS 94 30.708 -0.314 -21.302 692 HZ2 LYS 94 HZ2 LYS 94 31.159 -0.193 -19.705 693 HZ3 LYS 94 HZ3 LYS 94 29.818 0.630 -20.259 694 H VAL 95 H VAL 95 26.375 -5.435 -17.872 695 HA VAL 95 HA VAL 95 27.567 -6.750 -15.496 696 HB VAL 95 HB VAL 95 26.964 -7.876 -18.254 697 HG11 VAL 95 HG11 VAL 95 28.834 -9.115 -17.264 698 HG12 VAL 95 HG12 VAL 95 27.936 -9.342 -15.765 699 HG13 VAL 95 HG13 VAL 95 27.367 -10.104 -17.259 700 HG21 VAL 95 HG21 VAL 95 25.614 -8.151 -15.526 701 HG22 VAL 95 HG22 VAL 95 24.961 -7.279 -16.974 702 HG23 VAL 95 HG23 VAL 95 25.137 -9.055 -17.027 703 H GLY 96 H GLY 96 29.785 -6.983 -15.154 704 HA2 GLY 96 HA2 GLY 96 31.652 -7.092 -17.338 705 HA3 GLY 96 HA3 GLY 96 31.585 -5.401 -16.714 706 H GLN 97 H GLN 97 31.062 -8.378 -14.874 707 HA GLN 97 HA GLN 97 31.916 -9.254 -13.029 708 HB2 GLN 97 HB2 GLN 97 33.762 -9.624 -14.592 709 HB3 GLN 97 HB3 GLN 97 34.621 -8.267 -13.893 710 HG2 GLN 97 HG2 GLN 97 34.505 -9.336 -11.681 711 HG3 GLN 97 HG3 GLN 97 33.541 -10.675 -12.342 712 HE21 GLN 97 HE21 GLN 97 34.637 -12.427 -12.575 713 HE22 GLN 97 HE22 GLN 97 36.315 -12.556 -12.942 Start of MODEL 5 1 H1 HIS 1 H1 HIS 1 1.994 1.185 2.214 2 H2 HIS 1 H2 HIS 1 2.913 -0.152 2.453 3 H3 HIS 1 H3 HIS 1 3.631 1.271 2.055 4 HA HIS 1 HA HIS 1 1.916 -0.403 0.334 5 HB2 HIS 1 HB2 HIS 1 3.111 2.334 -0.235 6 HB3 HIS 1 HB3 HIS 1 2.277 1.324 -1.425 7 HD1 HIS 1 HD1 HIS 1 1.624 3.580 1.594 8 HD2 HIS 1 HD2 HIS 1 -0.453 1.334 -1.244 9 HE1 HIS 1 HE1 HIS 1 -0.776 4.223 1.775 10 H ALA 2 H ALA 2 3.092 -1.240 -1.544 11 HA ALA 2 HA ALA 2 5.647 -2.202 -0.620 12 HB1 ALA 2 HB1 ALA 2 5.592 -3.550 -2.721 13 HB2 ALA 2 HB2 ALA 2 4.032 -3.644 -1.857 14 HB3 ALA 2 HB3 ALA 2 4.204 -2.593 -3.294 15 H HIS 3 H HIS 3 7.484 -0.984 -0.731 16 HA HIS 3 HA HIS 3 8.194 0.186 -3.387 17 HB2 HIS 3 HB2 HIS 3 8.718 1.393 -0.634 18 HB3 HIS 3 HB3 HIS 3 9.342 2.030 -2.220 19 HD1 HIS 3 HD1 HIS 3 7.343 2.813 -3.972 20 HD2 HIS 3 HD2 HIS 3 6.258 2.298 0.055 21 HE1 HIS 3 HE1 HIS 3 5.117 3.995 -3.585 22 H LEU 4 H LEU 4 10.459 -0.076 -3.889 23 HA LEU 4 HA LEU 4 11.664 -2.441 -2.763 24 HB2 LEU 4 HB2 LEU 4 11.731 -1.769 -5.115 25 HB3 LEU 4 HB3 LEU 4 12.722 -0.378 -4.721 26 HG LEU 4 HG LEU 4 13.601 -3.266 -4.475 27 HD11 LEU 4 HD11 LEU 4 13.083 -2.694 -6.768 28 HD12 LEU 4 HD12 LEU 4 14.831 -2.825 -6.561 29 HD13 LEU 4 HD13 LEU 4 14.081 -1.200 -6.638 30 HD21 LEU 4 HD21 LEU 4 15.910 -2.342 -4.512 31 HD22 LEU 4 HD22 LEU 4 15.035 -1.773 -3.090 32 HD23 LEU 4 HD23 LEU 4 15.272 -0.695 -4.493 33 H LYS 5 H LYS 5 13.077 -2.615 -1.077 34 HA LYS 5 HA LYS 5 14.364 -0.126 -0.056 35 HB2 LYS 5 HB2 LYS 5 13.692 -2.695 1.376 36 HB3 LYS 5 HB3 LYS 5 14.627 -1.364 2.082 37 HG2 LYS 5 HG2 LYS 5 12.620 0.118 1.809 38 HG3 LYS 5 HG3 LYS 5 11.738 -1.279 1.194 39 HD2 LYS 5 HD2 LYS 5 11.224 -1.134 3.521 40 HD3 LYS 5 HD3 LYS 5 12.288 -2.541 3.294 41 HE2 LYS 5 HE2 LYS 5 14.217 -1.112 4.030 42 HE3 LYS 5 HE3 LYS 5 13.074 0.257 4.306 43 HZ1 LYS 5 HZ1 LYS 5 13.486 -0.932 6.334 44 HZ2 LYS 5 HZ2 LYS 5 13.060 -2.400 5.677 45 HZ3 LYS 5 HZ3 LYS 5 11.910 -1.195 5.897 46 H SER 6 H SER 6 15.015 -3.374 -1.226 47 HA SER 6 HA SER 6 17.901 -2.860 -1.092 48 HB2 SER 6 HB2 SER 6 17.498 -3.772 1.107 49 HB3 SER 6 HB3 SER 6 16.638 -5.166 0.382 50 HG SER 6 HG SER 6 19.338 -4.575 0.468 51 H ALA 7 H ALA 7 19.048 -4.427 -2.361 52 HA ALA 7 HA ALA 7 17.546 -6.226 -4.086 53 HB1 ALA 7 HB1 ALA 7 18.790 -3.675 -5.202 54 HB2 ALA 7 HB2 ALA 7 18.109 -4.991 -6.199 55 HB3 ALA 7 HB3 ALA 7 17.079 -4.079 -5.145 56 H THR 8 H THR 8 18.682 -7.246 -5.732 57 HA THR 8 HA THR 8 21.474 -8.013 -5.002 58 HB THR 8 HB THR 8 19.516 -8.875 -7.216 59 HG1 THR 8 HG1 THR 8 18.855 -9.154 -4.974 60 HG21 THR 8 HG21 THR 8 22.015 -10.217 -6.163 61 HG22 THR 8 HG22 THR 8 21.624 -9.714 -7.859 62 HG23 THR 8 HG23 THR 8 20.740 -11.046 -7.105 63 HA PRO 9 HA PRO 9 23.803 -5.180 -7.561 64 HB2 PRO 9 HB2 PRO 9 23.093 -6.341 -10.193 65 HB3 PRO 9 HB3 PRO 9 24.650 -5.886 -9.475 66 HG2 PRO 9 HG2 PRO 9 23.193 -8.523 -9.194 67 HG3 PRO 9 HG3 PRO 9 24.913 -8.218 -8.899 68 HD2 PRO 9 HD2 PRO 9 23.260 -8.654 -6.800 69 HD3 PRO 9 HD3 PRO 9 24.428 -7.301 -6.675 70 H ALA 10 H ALA 10 23.162 -3.490 -7.036 71 HA ALA 10 HA ALA 10 20.730 -2.158 -7.539 72 HB1 ALA 10 HB1 ALA 10 21.920 -0.304 -6.548 73 HB2 ALA 10 HB2 ALA 10 22.170 -1.795 -5.617 74 HB3 ALA 10 HB3 ALA 10 23.494 -1.150 -6.689 75 H ALA 11 H ALA 11 20.578 -0.008 -8.470 76 HA ALA 11 HA ALA 11 21.142 -0.151 -11.181 77 HB1 ALA 11 HB1 ALA 11 20.337 2.168 -11.311 78 HB2 ALA 11 HB2 ALA 11 19.386 1.270 -10.121 79 HB3 ALA 11 HB3 ALA 11 20.636 2.360 -9.588 80 H ASP 12 H ASP 12 22.484 0.762 -12.541 81 HA ASP 12 HA ASP 12 24.434 1.469 -13.460 82 HB2 ASP 12 HB2 ASP 12 23.688 3.565 -12.095 83 HB3 ASP 12 HB3 ASP 12 24.994 3.143 -10.986 84 H SER 13 H SER 13 24.485 -0.742 -11.214 85 HA SER 13 HA SER 13 27.233 -0.693 -10.325 86 HB2 SER 13 HB2 SER 13 26.872 -2.831 -9.394 87 HB3 SER 13 HB3 SER 13 25.554 -1.747 -8.962 88 HG SER 13 HG SER 13 24.198 -2.801 -10.278 89 H THR 14 H THR 14 28.888 -2.231 -10.947 90 HA THR 14 HA THR 14 28.421 -3.479 -13.594 91 HB THR 14 HB THR 14 31.084 -2.554 -12.419 92 HG1 THR 14 HG1 THR 14 29.377 -1.013 -13.363 93 HG21 THR 14 HG21 THR 14 30.352 -3.746 -15.121 94 HG22 THR 14 HG22 THR 14 31.441 -4.436 -13.887 95 HG23 THR 14 HG23 THR 14 31.891 -2.946 -14.741 96 H VAL 15 H VAL 15 28.102 -5.696 -13.201 97 HA VAL 15 HA VAL 15 29.771 -6.957 -11.048 98 HB VAL 15 HB VAL 15 27.760 -8.266 -10.342 99 HG11 VAL 15 HG11 VAL 15 28.448 -6.069 -9.286 100 HG12 VAL 15 HG12 VAL 15 27.163 -5.265 -10.262 101 HG13 VAL 15 HG13 VAL 15 26.726 -6.538 -9.054 102 HG21 VAL 15 HG21 VAL 15 26.112 -6.353 -12.132 103 HG22 VAL 15 HG22 VAL 15 26.495 -8.021 -12.631 104 HG23 VAL 15 HG23 VAL 15 25.521 -7.664 -11.158 105 H ALA 16 H ALA 16 29.805 -9.395 -11.157 106 HA ALA 16 HA ALA 16 29.999 -10.462 -13.876 107 HB1 ALA 16 HB1 ALA 16 31.488 -11.382 -12.129 108 HB2 ALA 16 HB2 ALA 16 30.081 -11.737 -11.076 109 HB3 ALA 16 HB3 ALA 16 30.332 -12.629 -12.586 110 H ALA 17 H ALA 17 28.345 -12.189 -14.604 111 HA ALA 17 HA ALA 17 25.728 -11.295 -14.029 112 HB1 ALA 17 HB1 ALA 17 24.950 -13.350 -15.206 113 HB2 ALA 17 HB2 ALA 17 26.172 -12.396 -16.102 114 HB3 ALA 17 HB3 ALA 17 26.655 -13.886 -15.284 115 HA PRO 18 HA PRO 18 25.116 -13.501 -10.218 116 HB2 PRO 18 HB2 PRO 18 22.594 -12.750 -9.633 117 HB3 PRO 18 HB3 PRO 18 23.935 -11.595 -9.551 118 HG2 PRO 18 HG2 PRO 18 22.002 -12.128 -11.776 119 HG3 PRO 18 HG3 PRO 18 22.389 -10.559 -11.041 120 HD2 PRO 18 HD2 PRO 18 23.532 -11.367 -13.329 121 HD3 PRO 18 HD3 PRO 18 24.469 -10.438 -12.111 122 H ALA 19 H ALA 19 23.858 -15.358 -9.369 123 HA ALA 19 HA ALA 19 23.049 -17.128 -11.503 124 HB1 ALA 19 HB1 ALA 19 23.938 -17.954 -9.256 125 HB2 ALA 19 HB2 ALA 19 22.458 -17.360 -8.482 126 HB3 ALA 19 HB3 ALA 19 22.364 -18.670 -9.653 127 H ASP 20 H ASP 20 21.274 -15.068 -9.188 128 HA ASP 20 HA ASP 20 18.923 -14.977 -10.976 129 HB2 ASP 20 HB2 ASP 20 17.339 -15.532 -9.193 130 HB3 ASP 20 HB3 ASP 20 18.394 -16.915 -9.472 131 H LEU 21 H LEU 21 17.467 -13.087 -10.219 132 HA LEU 21 HA LEU 21 19.137 -11.139 -8.609 133 HB2 LEU 21 HB2 LEU 21 17.058 -10.516 -10.733 134 HB3 LEU 21 HB3 LEU 21 17.931 -9.359 -9.730 135 HG LEU 21 HG LEU 21 20.060 -9.990 -10.880 136 HD11 LEU 21 HD11 LEU 21 19.561 -12.190 -11.816 137 HD12 LEU 21 HD12 LEU 21 19.783 -11.069 -13.146 138 HD13 LEU 21 HD13 LEU 21 18.149 -11.551 -12.699 139 HD21 LEU 21 HD21 LEU 21 17.771 -8.912 -12.545 140 HD22 LEU 21 HD22 LEU 21 19.485 -8.777 -12.992 141 HD23 LEU 21 HD23 LEU 21 18.895 -7.990 -11.519 142 H ARG 22 H ARG 22 18.185 -10.433 -6.703 143 HA ARG 22 HA ARG 22 15.304 -11.110 -6.326 144 HB2 ARG 22 HB2 ARG 22 17.537 -11.029 -4.287 145 HB3 ARG 22 HB3 ARG 22 15.813 -11.368 -3.947 146 HG2 ARG 22 HG2 ARG 22 15.948 -13.335 -5.510 147 HG3 ARG 22 HG3 ARG 22 17.729 -13.059 -5.602 148 HD2 ARG 22 HD2 ARG 22 17.843 -13.339 -3.142 149 HD3 ARG 22 HD3 ARG 22 16.084 -13.711 -3.136 150 HE ARG 22 HE ARG 22 17.406 -15.323 -5.087 151 HH11 ARG 22 HH11 ARG 22 17.002 -15.149 -1.551 152 HH12 ARG 22 HH12 ARG 22 17.380 -16.854 -1.368 153 HH21 ARG 22 HH21 ARG 22 17.658 -17.462 -4.719 154 HH22 ARG 22 HH22 ARG 22 17.734 -18.154 -3.097 155 H LEU 23 H LEU 23 13.936 -9.602 -5.514 156 HA LEU 23 HA LEU 23 15.144 -6.886 -4.912 157 HB2 LEU 23 HB2 LEU 23 12.440 -7.545 -6.143 158 HB3 LEU 23 HB3 LEU 23 12.984 -5.946 -5.685 159 HG LEU 23 HG LEU 23 14.665 -6.018 -7.492 160 HD11 LEU 23 HD11 LEU 23 13.370 -8.674 -8.245 161 HD12 LEU 23 HD12 LEU 23 15.065 -8.345 -7.985 162 HD13 LEU 23 HD13 LEU 23 14.221 -7.662 -9.406 163 HD21 LEU 23 HD21 LEU 23 11.744 -6.497 -8.252 164 HD22 LEU 23 HD22 LEU 23 12.989 -5.700 -9.269 165 HD23 LEU 23 HD23 LEU 23 12.476 -4.939 -7.754 166 H THR 24 H THR 24 14.440 -5.992 -2.939 167 HA THR 24 HA THR 24 12.567 -7.672 -1.319 168 HB THR 24 HB THR 24 14.847 -5.887 -0.380 169 HG1 THR 24 HG1 THR 24 15.668 -7.749 -1.282 170 HG21 THR 24 HG21 THR 24 12.999 -6.054 1.255 171 HG22 THR 24 HG22 THR 24 14.474 -6.913 1.795 172 HG23 THR 24 HG23 THR 24 13.084 -7.842 1.167 173 H PHE 25 H PHE 25 10.684 -6.705 -0.761 174 HA PHE 25 HA PHE 25 10.488 -3.736 -1.115 175 HB2 PHE 25 HB2 PHE 25 8.296 -5.866 -1.378 176 HB3 PHE 25 HB3 PHE 25 8.120 -4.135 -1.663 177 HD1 PHE 25 HD1 PHE 25 9.302 -7.314 -3.062 178 HD2 PHE 25 HD2 PHE 25 9.073 -3.066 -3.683 179 HE1 PHE 25 HE1 PHE 25 9.850 -7.635 -5.488 180 HE2 PHE 25 HE2 PHE 25 9.728 -3.372 -6.103 181 HZ PHE 25 HZ PHE 25 10.008 -5.642 -7.021 182 H SER 26 H SER 26 9.093 -2.574 0.260 183 HA SER 26 HA SER 26 9.449 -3.246 3.050 184 HB2 SER 26 HB2 SER 26 8.259 -1.145 3.402 185 HB3 SER 26 HB3 SER 26 9.494 -0.968 2.129 186 HG SER 26 HG SER 26 7.232 -0.158 1.708 187 H GLU 27 H GLU 27 6.855 -3.929 0.813 188 HA GLU 27 HA GLU 27 5.156 -4.915 3.054 189 HB2 GLU 27 HB2 GLU 27 4.251 -2.766 2.180 190 HB3 GLU 27 HB3 GLU 27 4.218 -3.484 0.538 191 HG2 GLU 27 HG2 GLU 27 2.001 -3.593 1.350 192 HG3 GLU 27 HG3 GLU 27 2.636 -5.237 1.437 193 H GLY 28 H GLY 28 4.151 -6.972 2.442 194 HA2 GLY 28 HA2 GLY 28 5.693 -8.409 0.538 195 HA3 GLY 28 HA3 GLY 28 4.210 -8.989 1.306 196 H VAL 29 H VAL 29 5.195 -9.323 -1.480 197 HA VAL 29 HA VAL 29 2.914 -7.966 -2.878 198 HB VAL 29 HB VAL 29 4.327 -7.892 -4.905 199 HG11 VAL 29 HG11 VAL 29 5.954 -6.018 -4.088 200 HG12 VAL 29 HG12 VAL 29 4.222 -5.835 -3.708 201 HG13 VAL 29 HG13 VAL 29 5.340 -6.392 -2.451 202 HG21 VAL 29 HG21 VAL 29 6.541 -8.861 -3.051 203 HG22 VAL 29 HG22 VAL 29 5.889 -9.689 -4.505 204 HG23 VAL 29 HG23 VAL 29 6.815 -8.213 -4.675 205 H GLU 30 H GLU 30 2.065 -9.198 -4.701 206 HA GLU 30 HA GLU 30 2.253 -12.089 -4.083 207 HB2 GLU 30 HB2 GLU 30 0.392 -10.504 -5.847 208 HB3 GLU 30 HB3 GLU 30 0.283 -12.266 -5.661 209 HG2 GLU 30 HG2 GLU 30 0.081 -10.443 -3.254 210 HG3 GLU 30 HG3 GLU 30 -1.320 -10.736 -4.328 211 H ALA 31 H ALA 31 3.564 -13.398 -5.349 212 HA ALA 31 HA ALA 31 5.038 -12.318 -7.547 213 HB1 ALA 31 HB1 ALA 31 4.563 -15.189 -6.610 214 HB2 ALA 31 HB2 ALA 31 5.696 -14.752 -7.935 215 HB3 ALA 31 HB3 ALA 31 5.971 -14.158 -6.281 216 H THR 32 H THR 32 1.992 -13.970 -7.337 217 HA THR 32 HA THR 32 1.728 -14.870 -10.021 218 HB THR 32 HB THR 32 -0.393 -13.956 -8.006 219 HG1 THR 32 HG1 THR 32 -0.275 -16.086 -7.301 220 HG21 THR 32 HG21 THR 32 -0.506 -15.846 -10.385 221 HG22 THR 32 HG22 THR 32 -1.454 -14.374 -10.123 222 HG23 THR 32 HG23 THR 32 -1.747 -15.787 -9.125 223 H PHE 33 H PHE 33 1.080 -11.672 -8.526 224 HA PHE 33 HA PHE 33 -0.044 -10.838 -11.122 225 HB2 PHE 33 HB2 PHE 33 -0.216 -9.387 -8.468 226 HB3 PHE 33 HB3 PHE 33 -1.043 -8.944 -9.981 227 HD1 PHE 33 HD1 PHE 33 -2.438 -11.050 -10.975 228 HD2 PHE 33 HD2 PHE 33 -1.480 -10.334 -6.845 229 HE1 PHE 33 HE1 PHE 33 -4.337 -12.546 -10.280 230 HE2 PHE 33 HE2 PHE 33 -3.351 -11.811 -6.143 231 HZ PHE 33 HZ PHE 33 -4.787 -12.891 -7.860 232 H THR 34 H THR 34 2.861 -10.803 -9.538 233 HA THR 34 HA THR 34 3.698 -8.098 -10.276 234 HB THR 34 HB THR 34 5.313 -10.594 -9.551 235 HG1 THR 34 HG1 THR 34 4.028 -9.972 -7.768 236 HG21 THR 34 HG21 THR 34 7.105 -9.014 -8.889 237 HG22 THR 34 HG22 THR 34 6.119 -7.650 -9.495 238 HG23 THR 34 HG23 THR 34 6.730 -8.881 -10.636 239 H LYS 35 H LYS 35 4.603 -7.450 -12.216 240 HA LYS 35 HA LYS 35 5.166 -9.610 -14.226 241 HB2 LYS 35 HB2 LYS 35 3.241 -8.189 -14.893 242 HB3 LYS 35 HB3 LYS 35 4.302 -6.779 -14.788 243 HG2 LYS 35 HG2 LYS 35 5.718 -7.761 -16.585 244 HG3 LYS 35 HG3 LYS 35 4.598 -9.141 -16.726 245 HD2 LYS 35 HD2 LYS 35 2.783 -7.567 -17.298 246 HD3 LYS 35 HD3 LYS 35 3.922 -6.220 -17.246 247 HE2 LYS 35 HE2 LYS 35 4.029 -8.642 -19.110 248 HE3 LYS 35 HE3 LYS 35 3.539 -6.989 -19.555 249 HZ1 LYS 35 HZ1 LYS 35 5.759 -6.232 -18.860 250 HZ2 LYS 35 HZ2 LYS 35 5.820 -7.281 -20.124 251 HZ3 LYS 35 HZ3 LYS 35 6.224 -7.801 -18.618 252 H VAL 36 H VAL 36 7.258 -9.748 -14.908 253 HA VAL 36 HA VAL 36 9.027 -7.383 -14.360 254 HB VAL 36 HB VAL 36 9.732 -10.339 -13.921 255 HG11 VAL 36 HG11 VAL 36 11.394 -7.778 -13.736 256 HG12 VAL 36 HG12 VAL 36 11.859 -9.329 -12.997 257 HG13 VAL 36 HG13 VAL 36 11.677 -9.194 -14.800 258 HG21 VAL 36 HG21 VAL 36 9.344 -8.024 -11.919 259 HG22 VAL 36 HG22 VAL 36 8.336 -9.490 -12.016 260 HG23 VAL 36 HG23 VAL 36 10.058 -9.578 -11.530 261 H SER 37 H SER 37 10.254 -6.809 -16.082 262 HA SER 37 HA SER 37 10.567 -8.704 -18.295 263 HB2 SER 37 HB2 SER 37 9.956 -5.757 -18.488 264 HB3 SER 37 HB3 SER 37 10.475 -6.814 -19.840 265 HG SER 37 HG SER 37 8.269 -6.724 -19.811 266 H LEU 38 H LEU 38 12.566 -8.677 -19.256 267 HA LEU 38 HA LEU 38 14.679 -6.979 -18.043 268 HB2 LEU 38 HB2 LEU 38 14.694 -9.339 -17.082 269 HB3 LEU 38 HB3 LEU 38 14.753 -9.980 -18.705 270 HG LEU 38 HG LEU 38 17.024 -9.061 -19.066 271 HD11 LEU 38 HD11 LEU 38 16.952 -8.407 -16.109 272 HD12 LEU 38 HD12 LEU 38 16.930 -7.188 -17.444 273 HD13 LEU 38 HD13 LEU 38 18.323 -8.256 -17.214 274 HD21 LEU 38 HD21 LEU 38 18.149 -10.614 -17.427 275 HD22 LEU 38 HD22 LEU 38 16.771 -11.330 -18.259 276 HD23 LEU 38 HD23 LEU 38 16.577 -10.783 -16.593 277 H SER 39 H SER 39 16.041 -6.126 -19.630 278 HA SER 39 HA SER 39 15.917 -7.347 -22.316 279 HB2 SER 39 HB2 SER 39 15.361 -5.200 -23.406 280 HB3 SER 39 HB3 SER 39 14.047 -5.645 -22.290 281 HG SER 39 HG SER 39 14.919 -4.210 -20.751 282 H LYS 40 H LYS 40 17.602 -6.667 -23.714 283 HA LYS 40 HA LYS 40 19.918 -5.295 -22.312 284 HB2 LYS 40 HB2 LYS 40 20.063 -7.783 -22.204 285 HB3 LYS 40 HB3 LYS 40 20.001 -7.903 -23.957 286 HG2 LYS 40 HG2 LYS 40 22.189 -6.287 -22.601 287 HG3 LYS 40 HG3 LYS 40 22.284 -8.037 -22.768 288 HD2 LYS 40 HD2 LYS 40 22.085 -7.936 -25.212 289 HD3 LYS 40 HD3 LYS 40 21.996 -6.168 -25.137 290 HE2 LYS 40 HE2 LYS 40 24.227 -6.034 -24.098 291 HE3 LYS 40 HE3 LYS 40 24.363 -7.815 -24.114 292 HZ1 LYS 40 HZ1 LYS 40 24.349 -5.993 -26.488 293 HZ2 LYS 40 HZ2 LYS 40 24.033 -7.613 -26.609 294 HZ3 LYS 40 HZ3 LYS 40 25.483 -7.102 -26.050 295 H ASP 41 H ASP 41 20.661 -3.722 -23.523 296 HA ASP 41 HA ASP 41 20.960 -2.302 -25.245 297 HB2 ASP 41 HB2 ASP 41 22.191 -4.335 -26.106 298 HB3 ASP 41 HB3 ASP 41 20.821 -4.526 -27.231 299 H GLY 42 H GLY 42 18.194 -2.920 -24.428 300 HA2 GLY 42 HA2 GLY 42 16.155 -2.046 -25.099 301 HA3 GLY 42 HA3 GLY 42 16.836 -1.695 -26.703 302 H THR 43 H THR 43 17.232 -5.024 -25.760 303 HA THR 43 HA THR 43 14.729 -5.743 -27.237 304 HB THR 43 HB THR 43 17.359 -7.262 -27.354 305 HG1 THR 43 HG1 THR 43 16.072 -5.751 -29.346 306 HG21 THR 43 HG21 THR 43 16.276 -8.407 -29.213 307 HG22 THR 43 HG22 THR 43 14.761 -7.573 -28.784 308 HG23 THR 43 HG23 THR 43 15.509 -8.728 -27.652 309 H GLU 44 H GLU 44 13.295 -7.092 -26.069 310 HA GLU 44 HA GLU 44 13.936 -7.718 -23.332 311 HB2 GLU 44 HB2 GLU 44 11.673 -8.776 -25.108 312 HB3 GLU 44 HB3 GLU 44 11.849 -9.047 -23.384 313 HG2 GLU 44 HG2 GLU 44 11.682 -6.548 -23.073 314 HG3 GLU 44 HG3 GLU 44 11.354 -6.350 -24.754 315 H VAL 45 H VAL 45 14.415 -9.557 -22.225 316 HA VAL 45 HA VAL 45 15.318 -11.940 -23.859 317 HB VAL 45 HB VAL 45 16.568 -10.701 -21.293 318 HG11 VAL 45 HG11 VAL 45 16.725 -13.136 -21.265 319 HG12 VAL 45 HG12 VAL 45 17.428 -13.189 -22.878 320 HG13 VAL 45 HG13 VAL 45 18.326 -12.438 -21.563 321 HG21 VAL 45 HG21 VAL 45 17.712 -10.871 -24.141 322 HG22 VAL 45 HG22 VAL 45 17.116 -9.416 -23.337 323 HG23 VAL 45 HG23 VAL 45 18.559 -10.282 -22.697 324 H ALA 46 H ALA 46 14.538 -13.874 -23.112 325 HA ALA 46 HA ALA 46 12.183 -13.846 -21.554 326 HB1 ALA 46 HB1 ALA 46 13.964 -16.156 -22.365 327 HB2 ALA 46 HB2 ALA 46 12.337 -16.334 -21.724 328 HB3 ALA 46 HB3 ALA 46 12.583 -15.522 -23.273 329 H ILE 47 H ILE 47 11.571 -14.726 -19.617 330 HA ILE 47 HA ILE 47 13.733 -15.029 -17.561 331 HB ILE 47 HB ILE 47 10.980 -13.739 -17.279 332 HG12 ILE 47 HG12 ILE 47 13.737 -12.508 -16.993 333 HG13 ILE 47 HG13 ILE 47 12.776 -12.391 -18.469 334 HG21 ILE 47 HG21 ILE 47 11.684 -15.057 -15.304 335 HG22 ILE 47 HG22 ILE 47 13.133 -14.002 -15.165 336 HG23 ILE 47 HG23 ILE 47 11.475 -13.353 -15.005 337 HD11 ILE 47 HD11 ILE 47 11.031 -11.123 -17.313 338 HD12 ILE 47 HD12 ILE 47 11.912 -11.285 -15.762 339 HD13 ILE 47 HD13 ILE 47 12.601 -10.368 -17.098 340 H LYS 48 H LYS 48 13.634 -16.986 -16.451 341 HA LYS 48 HA LYS 48 11.921 -18.984 -17.505 342 HB2 LYS 48 HB2 LYS 48 14.186 -19.364 -16.347 343 HB3 LYS 48 HB3 LYS 48 13.389 -19.021 -14.814 344 HG2 LYS 48 HG2 LYS 48 13.528 -21.389 -14.872 345 HG3 LYS 48 HG3 LYS 48 11.871 -20.996 -15.203 346 HD2 LYS 48 HD2 LYS 48 12.420 -22.762 -16.687 347 HD3 LYS 48 HD3 LYS 48 12.456 -21.293 -17.709 348 HE2 LYS 48 HE2 LYS 48 14.888 -21.165 -17.416 349 HE3 LYS 48 HE3 LYS 48 14.859 -22.626 -16.394 350 HZ1 LYS 48 HZ1 LYS 48 14.204 -23.903 -18.310 351 HZ2 LYS 48 HZ2 LYS 48 15.523 -22.992 -18.733 352 HZ3 LYS 48 HZ3 LYS 48 14.024 -22.529 -19.263 353 H GLY 49 H GLY 49 11.695 -17.001 -14.565 354 HA2 GLY 49 HA2 GLY 49 8.918 -17.161 -14.327 355 HA3 GLY 49 HA3 GLY 49 9.549 -18.468 -13.354 356 H LEU 50 H LEU 50 8.301 -16.960 -11.808 357 HA LEU 50 HA LEU 50 10.342 -15.486 -10.337 358 HB2 LEU 50 HB2 LEU 50 9.157 -13.486 -9.961 359 HB3 LEU 50 HB3 LEU 50 9.335 -13.696 -11.696 360 HG LEU 50 HG LEU 50 6.776 -14.116 -10.126 361 HD11 LEU 50 HD11 LEU 50 7.646 -11.781 -10.175 362 HD12 LEU 50 HD12 LEU 50 6.072 -12.020 -11.054 363 HD13 LEU 50 HD13 LEU 50 7.586 -11.857 -11.982 364 HD21 LEU 50 HD21 LEU 50 5.637 -14.052 -12.304 365 HD22 LEU 50 HD22 LEU 50 6.741 -15.426 -12.176 366 HD23 LEU 50 HD23 LEU 50 7.204 -13.983 -13.130 367 H GLU 51 H GLU 51 9.977 -15.470 -8.071 368 HA GLU 51 HA GLU 51 7.486 -16.632 -7.048 369 HB2 GLU 51 HB2 GLU 51 8.643 -18.578 -6.073 370 HB3 GLU 51 HB3 GLU 51 8.860 -18.572 -7.808 371 HG2 GLU 51 HG2 GLU 51 11.130 -17.687 -7.544 372 HG3 GLU 51 HG3 GLU 51 10.963 -17.699 -5.805 373 H THR 52 H THR 52 7.528 -16.852 -4.650 374 HA THR 52 HA THR 52 9.675 -15.200 -3.387 375 HB THR 52 HB THR 52 8.075 -14.497 -1.602 376 HG1 THR 52 HG1 THR 52 6.591 -16.275 -2.114 377 HG21 THR 52 HG21 THR 52 6.991 -12.772 -2.837 378 HG22 THR 52 HG22 THR 52 6.821 -13.775 -4.278 379 HG23 THR 52 HG23 THR 52 8.446 -13.139 -3.789 380 HA PRO 53 HA PRO 53 9.694 -19.463 -1.821 381 HB2 PRO 53 HB2 PRO 53 12.323 -19.788 -1.250 382 HB3 PRO 53 HB3 PRO 53 11.749 -19.743 -2.940 383 HG2 PRO 53 HG2 PRO 53 12.924 -17.492 -1.277 384 HG3 PRO 53 HG3 PRO 53 13.409 -18.139 -2.899 385 HD2 PRO 53 HD2 PRO 53 11.710 -15.962 -2.581 386 HD3 PRO 53 HD3 PRO 53 11.513 -17.079 -3.965 387 H ASP 54 H ASP 54 10.689 -16.527 -0.232 388 HA ASP 54 HA ASP 54 11.372 -17.601 2.314 389 HB2 ASP 54 HB2 ASP 54 11.887 -15.345 1.265 390 HB3 ASP 54 HB3 ASP 54 10.301 -14.847 1.702 391 H ALA 55 H ALA 55 10.128 -17.377 4.314 392 HA ALA 55 HA ALA 55 7.499 -18.517 4.159 393 HB1 ALA 55 HB1 ALA 55 7.449 -18.057 6.596 394 HB2 ALA 55 HB2 ALA 55 9.069 -18.613 6.143 395 HB3 ALA 55 HB3 ALA 55 8.801 -16.905 6.434 396 H ASP 56 H ASP 56 8.614 -15.096 4.296 397 HA ASP 56 HA ASP 56 5.775 -14.239 4.197 398 HB2 ASP 56 HB2 ASP 56 6.516 -12.043 4.744 399 HB3 ASP 56 HB3 ASP 56 7.144 -13.206 5.902 400 H LYS 57 H LYS 57 5.649 -12.136 2.595 401 HA LYS 57 HA LYS 57 6.774 -13.193 0.071 402 HB2 LYS 57 HB2 LYS 57 4.322 -11.521 0.603 403 HB3 LYS 57 HB3 LYS 57 4.807 -12.106 -0.977 404 HG2 LYS 57 HG2 LYS 57 4.498 -14.420 -0.196 405 HG3 LYS 57 HG3 LYS 57 4.023 -13.809 1.363 406 HD2 LYS 57 HD2 LYS 57 2.179 -12.597 0.362 407 HD3 LYS 57 HD3 LYS 57 2.590 -13.296 -1.225 408 HE2 LYS 57 HE2 LYS 57 2.237 -15.570 -0.345 409 HE3 LYS 57 HE3 LYS 57 1.815 -14.901 1.260 410 HZ1 LYS 57 HZ1 LYS 57 0.336 -14.184 -1.205 411 HZ2 LYS 57 HZ2 LYS 57 -0.064 -13.819 0.342 412 HZ3 LYS 57 HZ3 LYS 57 -0.143 -15.390 -0.180 413 H LYS 58 H LYS 58 8.283 -11.469 1.813 414 HA LYS 58 HA LYS 58 8.157 -8.765 0.695 415 HB2 LYS 58 HB2 LYS 58 10.099 -9.948 2.664 416 HB3 LYS 58 HB3 LYS 58 9.968 -8.235 2.221 417 HG2 LYS 58 HG2 LYS 58 7.685 -8.173 3.077 418 HG3 LYS 58 HG3 LYS 58 7.780 -9.860 3.548 419 HD2 LYS 58 HD2 LYS 58 9.697 -9.313 5.045 420 HD3 LYS 58 HD3 LYS 58 9.533 -7.593 4.602 421 HE2 LYS 58 HE2 LYS 58 7.188 -7.650 5.497 422 HE3 LYS 58 HE3 LYS 58 7.364 -9.349 5.948 423 HZ1 LYS 58 HZ1 LYS 58 9.183 -7.263 6.943 424 HZ2 LYS 58 HZ2 LYS 58 9.000 -8.783 7.506 425 HZ3 LYS 58 HZ3 LYS 58 7.800 -7.677 7.759 426 H THR 59 H THR 59 9.968 -11.631 0.022 427 HA THR 59 HA THR 59 11.821 -10.011 -1.657 428 HB THR 59 HB THR 59 12.428 -12.689 -0.510 429 HG1 THR 59 HG1 THR 59 12.435 -11.327 1.199 430 HG21 THR 59 HG21 THR 59 14.186 -10.639 -1.895 431 HG22 THR 59 HG22 THR 59 13.702 -12.225 -2.518 432 HG23 THR 59 HG23 THR 59 14.762 -12.157 -1.135 433 H LEU 60 H LEU 60 11.708 -10.160 -3.746 434 HA LEU 60 HA LEU 60 10.168 -12.450 -4.876 435 HB2 LEU 60 HB2 LEU 60 9.221 -10.193 -5.045 436 HB3 LEU 60 HB3 LEU 60 10.650 -9.650 -5.918 437 HG LEU 60 HG LEU 60 8.704 -9.861 -7.318 438 HD11 LEU 60 HD11 LEU 60 9.698 -10.833 -9.181 439 HD12 LEU 60 HD12 LEU 60 10.570 -12.006 -8.234 440 HD13 LEU 60 HD13 LEU 60 11.062 -10.328 -8.200 441 HD21 LEU 60 HD21 LEU 60 8.789 -12.859 -6.757 442 HD22 LEU 60 HD22 LEU 60 7.645 -11.981 -7.840 443 HD23 LEU 60 HD23 LEU 60 7.605 -11.689 -6.095 444 H VAL 61 H VAL 61 11.229 -13.853 -6.219 445 HA VAL 61 HA VAL 61 14.071 -13.226 -6.936 446 HB VAL 61 HB VAL 61 12.477 -15.858 -7.005 447 HG11 VAL 61 HG11 VAL 61 15.438 -15.326 -7.435 448 HG12 VAL 61 HG12 VAL 61 14.722 -16.952 -7.172 449 HG13 VAL 61 HG13 VAL 61 14.256 -15.998 -8.609 450 HG21 VAL 61 HG21 VAL 61 14.477 -14.844 -4.944 451 HG22 VAL 61 HG22 VAL 61 12.696 -15.113 -4.695 452 HG23 VAL 61 HG23 VAL 61 13.781 -16.487 -4.999 453 H VAL 62 H VAL 62 14.721 -12.931 -9.025 454 HA VAL 62 HA VAL 62 12.816 -13.765 -11.200 455 HB VAL 62 HB VAL 62 14.840 -11.457 -11.202 456 HG11 VAL 62 HG11 VAL 62 12.775 -12.263 -13.289 457 HG12 VAL 62 HG12 VAL 62 13.861 -10.868 -13.369 458 HG13 VAL 62 HG13 VAL 62 14.550 -12.531 -13.446 459 HG21 VAL 62 HG21 VAL 62 12.874 -9.953 -11.208 460 HG22 VAL 62 HG22 VAL 62 11.788 -11.373 -11.171 461 HG23 VAL 62 HG23 VAL 62 12.827 -11.004 -9.810 462 H THR 63 H THR 63 13.638 -15.348 -12.550 463 HA THR 63 HA THR 63 16.602 -15.699 -12.465 464 HB THR 63 HB THR 63 14.566 -17.930 -12.820 465 HG1 THR 63 HG1 THR 63 15.182 -18.453 -10.694 466 HG21 THR 63 HG21 THR 63 17.590 -17.866 -12.603 467 HG22 THR 63 HG22 THR 63 16.563 -18.602 -13.874 468 HG23 THR 63 HG23 THR 63 16.609 -19.330 -12.243 469 HA PRO 64 HA PRO 64 15.965 -14.742 -16.796 470 HB2 PRO 64 HB2 PRO 64 18.519 -14.872 -17.726 471 HB3 PRO 64 HB3 PRO 64 17.969 -13.562 -16.635 472 HG2 PRO 64 HG2 PRO 64 19.458 -16.057 -15.876 473 HG3 PRO 64 HG3 PRO 64 19.842 -14.358 -15.498 474 HD2 PRO 64 HD2 PRO 64 18.491 -15.917 -13.716 475 HD3 PRO 64 HD3 PRO 64 18.080 -14.177 -13.931 476 H ALA 65 H ALA 65 15.837 -15.941 -18.763 477 HA ALA 65 HA ALA 65 15.810 -18.845 -18.438 478 HB1 ALA 65 HB1 ALA 65 15.228 -17.131 -20.832 479 HB2 ALA 65 HB2 ALA 65 14.947 -18.867 -20.725 480 HB3 ALA 65 HB3 ALA 65 14.047 -17.758 -19.678 481 H ALA 66 H ALA 66 18.140 -16.655 -19.491 482 HA ALA 66 HA ALA 66 19.815 -18.822 -20.616 483 HB1 ALA 66 HB1 ALA 66 18.828 -17.776 -22.632 484 HB2 ALA 66 HB2 ALA 66 19.177 -16.159 -22.031 485 HB3 ALA 66 HB3 ALA 66 20.468 -17.231 -22.511 486 HA PRO 67 HA PRO 67 22.708 -16.837 -18.045 487 HB2 PRO 67 HB2 PRO 67 25.113 -17.197 -19.251 488 HB3 PRO 67 HB3 PRO 67 24.203 -18.541 -18.544 489 HG2 PRO 67 HG2 PRO 67 24.267 -17.602 -21.423 490 HG3 PRO 67 HG3 PRO 67 24.575 -19.236 -20.785 491 HD2 PRO 67 HD2 PRO 67 22.144 -18.639 -21.734 492 HD3 PRO 67 HD3 PRO 67 22.323 -19.571 -20.196 493 H LEU 68 H LEU 68 23.765 -14.833 -17.734 494 HA LEU 68 HA LEU 68 23.227 -12.889 -19.882 495 HB2 LEU 68 HB2 LEU 68 24.121 -12.416 -17.047 496 HB3 LEU 68 HB3 LEU 68 23.637 -11.181 -18.180 497 HG LEU 68 HG LEU 68 21.784 -13.334 -17.059 498 HD11 LEU 68 HD11 LEU 68 20.803 -11.524 -15.763 499 HD12 LEU 68 HD12 LEU 68 22.029 -10.417 -16.353 500 HD13 LEU 68 HD13 LEU 68 22.499 -11.797 -15.339 501 HD21 LEU 68 HD21 LEU 68 21.150 -10.879 -18.666 502 HD22 LEU 68 HD22 LEU 68 19.983 -11.987 -17.942 503 HD23 LEU 68 HD23 LEU 68 21.043 -12.538 -19.265 504 H ALA 69 H ALA 69 24.779 -11.530 -20.781 505 HA ALA 69 HA ALA 69 27.614 -12.371 -20.366 506 HB1 ALA 69 HB1 ALA 69 26.795 -13.212 -22.540 507 HB2 ALA 69 HB2 ALA 69 26.279 -11.597 -22.991 508 HB3 ALA 69 HB3 ALA 69 27.998 -11.947 -22.790 509 H ALA 70 H ALA 70 29.091 -10.479 -21.119 510 HA ALA 70 HA ALA 70 28.409 -8.188 -19.643 511 HB1 ALA 70 HB1 ALA 70 30.723 -8.755 -20.052 512 HB2 ALA 70 HB2 ALA 70 30.500 -8.687 -21.816 513 HB3 ALA 70 HB3 ALA 70 30.427 -7.209 -20.829 514 H GLY 71 H GLY 71 27.640 -6.144 -20.126 515 HA2 GLY 71 HA2 GLY 71 27.223 -4.742 -22.306 516 HA3 GLY 71 HA3 GLY 71 26.005 -6.027 -22.592 517 H ASN 72 H ASN 72 24.838 -3.704 -22.476 518 HA ASN 72 HA ASN 72 24.209 -2.873 -19.689 519 HB2 ASN 72 HB2 ASN 72 24.799 -1.245 -21.493 520 HB3 ASN 72 HB3 ASN 72 23.348 -1.713 -22.343 521 HD21 ASN 72 HD21 ASN 72 22.372 0.230 -22.239 522 HD22 ASN 72 HD22 ASN 72 21.786 0.915 -20.738 523 H TYR 73 H TYR 73 22.343 -3.217 -18.637 524 HA TYR 73 HA TYR 73 20.095 -4.447 -20.178 525 HB2 TYR 73 HB2 TYR 73 21.088 -5.133 -17.355 526 HB3 TYR 73 HB3 TYR 73 19.642 -5.779 -18.111 527 HD1 TYR 73 HD1 TYR 73 23.343 -5.759 -18.444 528 HD2 TYR 73 HD2 TYR 73 19.672 -7.630 -19.643 529 HE1 TYR 73 HE1 TYR 73 24.620 -7.642 -19.494 530 HE2 TYR 73 HE2 TYR 73 21.018 -9.568 -20.645 531 HH TYR 73 HH TYR 73 24.526 -9.546 -20.575 532 H LYS 74 H LYS 74 18.000 -4.189 -19.338 533 HA LYS 74 HA LYS 74 17.564 -2.006 -17.330 534 HB2 LYS 74 HB2 LYS 74 17.156 -1.122 -19.669 535 HB3 LYS 74 HB3 LYS 74 16.081 -2.512 -19.908 536 HG2 LYS 74 HG2 LYS 74 14.639 -0.666 -19.485 537 HG3 LYS 74 HG3 LYS 74 14.640 -1.660 -18.020 538 HD2 LYS 74 HD2 LYS 74 14.633 0.590 -17.249 539 HD3 LYS 74 HD3 LYS 74 16.296 0.016 -16.984 540 HE2 LYS 74 HE2 LYS 74 17.003 1.223 -19.065 541 HE3 LYS 74 HE3 LYS 74 15.345 1.750 -19.348 542 HZ1 LYS 74 HZ1 LYS 74 15.424 3.066 -17.395 543 HZ2 LYS 74 HZ2 LYS 74 16.638 3.491 -18.379 544 HZ3 LYS 74 HZ3 LYS 74 16.939 2.601 -17.052 545 H VAL 75 H VAL 75 16.119 -2.598 -15.774 546 HA VAL 75 HA VAL 75 14.522 -5.085 -16.207 547 HB VAL 75 HB VAL 75 15.651 -3.983 -13.589 548 HG11 VAL 75 HG11 VAL 75 13.976 -6.547 -14.081 549 HG12 VAL 75 HG12 VAL 75 14.588 -5.985 -12.518 550 HG13 VAL 75 HG13 VAL 75 13.342 -5.048 -13.387 551 HG21 VAL 75 HG21 VAL 75 16.985 -6.043 -13.519 552 HG22 VAL 75 HG22 VAL 75 16.291 -6.586 -15.058 553 HG23 VAL 75 HG23 VAL 75 17.322 -5.158 -15.007 554 H VAL 76 H VAL 76 12.385 -4.762 -16.199 555 HA VAL 76 HA VAL 76 11.357 -2.172 -15.052 556 HB VAL 76 HB VAL 76 10.345 -3.631 -17.530 557 HG11 VAL 76 HG11 VAL 76 8.855 -1.730 -17.786 558 HG12 VAL 76 HG12 VAL 76 8.557 -2.651 -16.270 559 HG13 VAL 76 HG13 VAL 76 9.420 -1.087 -16.227 560 HG21 VAL 76 HG21 VAL 76 12.410 -2.445 -18.091 561 HG22 VAL 76 HG22 VAL 76 11.048 -1.502 -18.705 562 HG23 VAL 76 HG23 VAL 76 11.866 -0.980 -17.202 563 H TRP 77 H TRP 77 9.680 -2.454 -13.524 564 HA TRP 77 HA TRP 77 8.436 -5.104 -13.473 565 HB2 TRP 77 HB2 TRP 77 8.872 -5.385 -11.020 566 HB3 TRP 77 HB3 TRP 77 10.350 -5.423 -11.941 567 HD1 TRP 77 HD1 TRP 77 12.082 -3.379 -11.590 568 HE1 TRP 77 HE1 TRP 77 12.340 -1.482 -9.943 569 HE3 TRP 77 HE3 TRP 77 7.582 -3.862 -9.288 570 HZ2 TRP 77 HZ2 TRP 77 10.708 -0.221 -7.995 571 HZ3 TRP 77 HZ3 TRP 77 6.988 -2.257 -7.446 572 HH2 TRP 77 HH2 TRP 77 8.492 -0.372 -6.910 573 H ASN 78 H ASN 78 6.606 -5.330 -12.284 574 HA ASN 78 HA ASN 78 5.301 -2.892 -11.279 575 HB2 ASN 78 HB2 ASN 78 4.637 -3.170 -13.665 576 HB3 ASN 78 HB3 ASN 78 3.908 -4.720 -13.241 577 HD21 ASN 78 HD21 ASN 78 2.963 -1.795 -13.973 578 HD22 ASN 78 HD22 ASN 78 1.683 -1.520 -12.839 579 H ALA 79 H ALA 79 4.566 -3.459 -9.248 580 HA ALA 79 HA ALA 79 4.216 -6.431 -8.747 581 HB1 ALA 79 HB1 ALA 79 6.331 -5.705 -7.806 582 HB2 ALA 79 HB2 ALA 79 5.560 -4.355 -6.927 583 HB3 ALA 79 HB3 ALA 79 5.198 -6.042 -6.524 584 H VAL 80 H VAL 80 2.551 -6.972 -7.297 585 HA VAL 80 HA VAL 80 0.722 -4.738 -6.536 586 HB VAL 80 HB VAL 80 -0.008 -7.627 -7.392 587 HG11 VAL 80 HG11 VAL 80 -1.527 -6.814 -5.658 588 HG12 VAL 80 HG12 VAL 80 -1.821 -5.332 -6.625 589 HG13 VAL 80 HG13 VAL 80 -2.325 -6.964 -7.210 590 HG21 VAL 80 HG21 VAL 80 -0.585 -4.950 -8.780 591 HG22 VAL 80 HG22 VAL 80 0.662 -6.142 -9.315 592 HG23 VAL 80 HG23 VAL 80 -1.077 -6.589 -9.351 593 H SER 81 H SER 81 0.375 -4.526 -4.564 594 HA SER 81 HA SER 81 1.690 -6.099 -2.586 595 HB2 SER 81 HB2 SER 81 1.183 -3.658 -2.283 596 HB3 SER 81 HB3 SER 81 -0.530 -4.044 -2.335 597 HG SER 81 HG SER 81 1.373 -4.655 -0.360 598 H VAL 82 H VAL 82 0.643 -7.227 -0.764 599 HA VAL 82 HA VAL 82 -1.541 -8.901 -1.633 600 HB VAL 82 HB VAL 82 -1.644 -9.786 0.665 601 HG11 VAL 82 HG11 VAL 82 1.159 -9.479 -0.507 602 HG12 VAL 82 HG12 VAL 82 0.744 -10.547 0.820 603 HG13 VAL 82 HG13 VAL 82 -0.014 -10.795 -0.726 604 HG21 VAL 82 HG21 VAL 82 -1.206 -7.638 1.855 605 HG22 VAL 82 HG22 VAL 82 -0.101 -8.890 2.389 606 HG23 VAL 82 HG23 VAL 82 0.465 -7.636 1.281 607 H ASP 83 H ASP 83 -1.412 -5.744 -0.439 608 HA ASP 83 HA ASP 83 -4.249 -5.835 0.453 609 HB2 ASP 83 HB2 ASP 83 -2.356 -4.502 1.610 610 HB3 ASP 83 HB3 ASP 83 -2.450 -3.418 0.193 611 H THR 84 H THR 84 -3.289 -6.281 -2.395 612 HA THR 84 HA THR 84 -3.816 -5.886 -4.511 613 HB THR 84 HB THR 84 -6.008 -4.996 -5.136 614 HG1 THR 84 HG1 THR 84 -5.833 -3.886 -2.509 615 HG21 THR 84 HG21 THR 84 -5.986 -7.256 -4.137 616 HG22 THR 84 HG22 THR 84 -7.454 -6.404 -3.655 617 HG23 THR 84 HG23 THR 84 -6.121 -6.561 -2.495 618 H HIS 85 H HIS 85 -2.683 -3.311 -2.819 619 HA HIS 85 HA HIS 85 -3.034 -1.126 -4.650 620 HB2 HIS 85 HB2 HIS 85 -2.259 -0.825 -2.332 621 HB3 HIS 85 HB3 HIS 85 -0.741 -1.748 -2.746 622 HD1 HIS 85 HD1 HIS 85 -2.396 1.642 -3.299 623 HD2 HIS 85 HD2 HIS 85 1.246 -0.315 -4.005 624 HE1 HIS 85 HE1 HIS 85 -0.715 3.403 -4.014 625 H LYS 86 H LYS 86 -1.789 -0.548 -6.445 626 HA LYS 86 HA LYS 86 0.204 -2.561 -7.367 627 HB2 LYS 86 HB2 LYS 86 -1.977 -2.492 -8.507 628 HB3 LYS 86 HB3 LYS 86 -1.673 -0.797 -8.964 629 HG2 LYS 86 HG2 LYS 86 0.261 -1.535 -10.362 630 HG3 LYS 86 HG3 LYS 86 -0.059 -3.226 -9.878 631 HD2 LYS 86 HD2 LYS 86 -2.327 -3.069 -10.841 632 HD3 LYS 86 HD3 LYS 86 -1.968 -1.425 -11.394 633 HE2 LYS 86 HE2 LYS 86 -0.078 -2.300 -12.683 634 HE3 LYS 86 HE3 LYS 86 -0.468 -3.939 -12.160 635 HZ1 LYS 86 HZ1 LYS 86 -2.266 -2.173 -13.748 636 HZ2 LYS 86 HZ2 LYS 86 -2.582 -3.723 -13.272 637 HZ3 LYS 86 HZ3 LYS 86 -1.379 -3.445 -14.335 638 H SER 87 H SER 87 2.272 -1.825 -8.063 639 HA SER 87 HA SER 87 2.600 1.072 -8.553 640 HB2 SER 87 HB2 SER 87 2.949 0.911 -6.098 641 HB3 SER 87 HB3 SER 87 4.136 -0.394 -6.367 642 HG SER 87 HG SER 87 5.298 1.468 -6.184 643 H ASN 88 H ASN 88 4.639 1.534 -9.735 644 HA ASN 88 HA ASN 88 6.111 -0.903 -10.609 645 HB2 ASN 88 HB2 ASN 88 5.961 -0.273 -12.932 646 HB3 ASN 88 HB3 ASN 88 4.362 -0.422 -12.245 647 HD21 ASN 88 HD21 ASN 88 6.235 1.356 -14.273 648 HD22 ASN 88 HD22 ASN 88 5.355 2.876 -14.145 649 H GLY 89 H GLY 89 8.081 -0.421 -11.935 650 HA2 GLY 89 HA2 GLY 89 9.265 2.187 -11.852 651 HA3 GLY 89 HA3 GLY 89 9.826 1.219 -10.486 652 H GLU 90 H GLU 90 11.854 1.803 -11.987 653 HA GLU 90 HA GLU 90 12.488 -0.681 -13.451 654 HB2 GLU 90 HB2 GLU 90 13.064 0.430 -15.526 655 HB3 GLU 90 HB3 GLU 90 11.404 0.859 -15.153 656 HG2 GLU 90 HG2 GLU 90 12.139 3.083 -14.387 657 HG3 GLU 90 HG3 GLU 90 13.803 2.612 -14.796 658 H TYR 91 H TYR 91 14.835 -0.833 -13.899 659 HA TYR 91 HA TYR 91 16.540 1.375 -13.063 660 HB2 TYR 91 HB2 TYR 91 17.835 0.108 -11.396 661 HB3 TYR 91 HB3 TYR 91 16.168 0.280 -10.882 662 HD1 TYR 91 HD1 TYR 91 18.826 -2.056 -11.939 663 HD2 TYR 91 HD2 TYR 91 14.658 -1.752 -10.748 664 HE1 TYR 91 HE1 TYR 91 18.832 -4.470 -11.391 665 HE2 TYR 91 HE2 TYR 91 14.702 -4.240 -10.225 666 HH TYR 91 HH TYR 91 16.014 -6.128 -10.004 667 H SER 92 H SER 92 18.885 0.898 -13.556 668 HA SER 92 HA SER 92 19.090 -1.200 -15.680 669 HB2 SER 92 HB2 SER 92 20.464 0.403 -16.976 670 HB3 SER 92 HB3 SER 92 18.883 1.113 -16.635 671 HG SER 92 HG SER 92 20.762 2.502 -16.265 672 H PHE 93 H PHE 93 21.244 -2.007 -16.068 673 HA PHE 93 HA PHE 93 23.379 -1.364 -14.197 674 HB2 PHE 93 HB2 PHE 93 23.573 -3.455 -13.074 675 HB3 PHE 93 HB3 PHE 93 21.916 -2.888 -12.829 676 HD1 PHE 93 HD1 PHE 93 20.019 -4.130 -13.854 677 HD2 PHE 93 HD2 PHE 93 24.082 -5.450 -14.420 678 HE1 PHE 93 HE1 PHE 93 19.214 -6.397 -14.704 679 HE2 PHE 93 HE2 PHE 93 23.270 -7.625 -15.287 680 HZ PHE 93 HZ PHE 93 20.883 -8.114 -15.376 681 H LYS 94 H LYS 94 25.375 -2.741 -14.700 682 HA LYS 94 HA LYS 94 25.243 -3.727 -17.503 683 HB2 LYS 94 HB2 LYS 94 26.251 -1.432 -17.374 684 HB3 LYS 94 HB3 LYS 94 27.476 -2.093 -16.248 685 HG2 LYS 94 HG2 LYS 94 28.332 -3.515 -18.052 686 HG3 LYS 94 HG3 LYS 94 27.087 -2.891 -19.182 687 HD2 LYS 94 HD2 LYS 94 27.894 -0.592 -18.779 688 HD3 LYS 94 HD3 LYS 94 29.225 -1.250 -17.752 689 HE2 LYS 94 HE2 LYS 94 30.100 -2.554 -19.706 690 HE3 LYS 94 HE3 LYS 94 28.798 -1.882 -20.761 691 HZ1 LYS 94 HZ1 LYS 94 29.654 0.262 -20.470 692 HZ2 LYS 94 HZ2 LYS 94 30.930 -0.715 -20.888 693 HZ3 LYS 94 HZ3 LYS 94 30.760 -0.236 -19.307 694 H VAL 95 H VAL 95 26.220 -5.617 -17.891 695 HA VAL 95 HA VAL 95 27.420 -7.002 -15.558 696 HB VAL 95 HB VAL 95 26.845 -8.031 -18.341 697 HG11 VAL 95 HG11 VAL 95 27.832 -9.525 -15.879 698 HG12 VAL 95 HG12 VAL 95 27.169 -10.298 -17.310 699 HG13 VAL 95 HG13 VAL 95 28.668 -9.336 -17.410 700 HG21 VAL 95 HG21 VAL 95 25.515 -8.506 -15.629 701 HG22 VAL 95 HG22 VAL 95 24.822 -7.485 -16.962 702 HG23 VAL 95 HG23 VAL 95 25.020 -9.234 -17.200 703 H GLY 96 H GLY 96 29.600 -7.272 -15.230 704 HA2 GLY 96 HA2 GLY 96 31.506 -6.582 -17.418 705 HA3 GLY 96 HA3 GLY 96 31.608 -5.884 -15.805 706 H GLN 97 H GLN 97 30.913 -9.101 -17.108 707 HA GLN 97 HA GLN 97 31.965 -10.676 -14.999 708 HB2 GLN 97 HB2 GLN 97 31.717 -12.504 -16.572 709 HB3 GLN 97 HB3 GLN 97 30.345 -11.399 -16.804 710 HG2 GLN 97 HG2 GLN 97 31.552 -10.406 -18.777 711 HG3 GLN 97 HG3 GLN 97 32.804 -11.641 -18.589 712 HE21 GLN 97 HE21 GLN 97 31.740 -13.947 -18.399 713 HE22 GLN 97 HE22 GLN 97 30.673 -14.315 -19.728 Start of MODEL 6 1 H1 HIS 1 H1 HIS 1 2.376 2.394 -0.462 2 H2 HIS 1 H2 HIS 1 0.778 1.972 -0.795 3 H3 HIS 1 H3 HIS 1 1.680 1.021 0.233 4 HA HIS 1 HA HIS 1 1.524 -0.060 -1.929 5 HB2 HIS 1 HB2 HIS 1 2.881 2.533 -2.902 6 HB3 HIS 1 HB3 HIS 1 2.634 1.085 -3.913 7 HD1 HIS 1 HD1 HIS 1 0.693 3.980 -2.236 8 HD2 HIS 1 HD2 HIS 1 0.151 0.870 -4.972 9 HE1 HIS 1 HE1 HIS 1 -1.525 4.370 -3.361 10 H ALA 2 H ALA 2 3.334 -1.314 -2.718 11 HA ALA 2 HA ALA 2 5.491 -1.356 -0.783 12 HB1 ALA 2 HB1 ALA 2 6.352 -3.256 -2.183 13 HB2 ALA 2 HB2 ALA 2 4.611 -3.442 -1.821 14 HB3 ALA 2 HB3 ALA 2 5.137 -2.869 -3.431 15 H HIS 3 H HIS 3 7.588 -0.670 -0.938 16 HA HIS 3 HA HIS 3 8.521 0.474 -3.541 17 HB2 HIS 3 HB2 HIS 3 8.919 1.687 -0.749 18 HB3 HIS 3 HB3 HIS 3 9.619 2.290 -2.281 19 HD1 HIS 3 HD1 HIS 3 7.538 2.843 -4.200 20 HD2 HIS 3 HD2 HIS 3 6.675 2.972 -0.107 21 HE1 HIS 3 HE1 HIS 3 5.445 4.261 -3.871 22 H LEU 4 H LEU 4 10.882 0.250 -3.788 23 HA LEU 4 HA LEU 4 11.948 -2.127 -2.544 24 HB2 LEU 4 HB2 LEU 4 13.303 0.016 -4.208 25 HB3 LEU 4 HB3 LEU 4 14.070 -1.474 -3.705 26 HG LEU 4 HG LEU 4 11.641 -1.271 -5.542 27 HD11 LEU 4 HD11 LEU 4 13.707 -0.361 -6.553 28 HD12 LEU 4 HD12 LEU 4 13.221 -1.878 -7.335 29 HD13 LEU 4 HD13 LEU 4 14.594 -1.795 -6.163 30 HD21 LEU 4 HD21 LEU 4 11.804 -3.468 -4.306 31 HD22 LEU 4 HD22 LEU 4 13.470 -3.649 -4.885 32 HD23 LEU 4 HD23 LEU 4 12.163 -3.620 -6.057 33 H LYS 5 H LYS 5 13.413 -2.483 -0.958 34 HA LYS 5 HA LYS 5 14.307 -0.041 0.571 35 HB2 LYS 5 HB2 LYS 5 13.796 -2.915 1.511 36 HB3 LYS 5 HB3 LYS 5 14.544 -1.701 2.541 37 HG2 LYS 5 HG2 LYS 5 11.784 -1.274 1.409 38 HG3 LYS 5 HG3 LYS 5 12.084 -2.289 2.792 39 HD2 LYS 5 HD2 LYS 5 11.536 -0.171 3.695 40 HD3 LYS 5 HD3 LYS 5 13.320 -0.289 3.884 41 HE2 LYS 5 HE2 LYS 5 13.594 1.204 1.900 42 HE3 LYS 5 HE3 LYS 5 11.849 1.340 1.756 43 HZ1 LYS 5 HZ1 LYS 5 11.787 2.462 3.852 44 HZ2 LYS 5 HZ2 LYS 5 13.055 3.122 3.049 45 HZ3 LYS 5 HZ3 LYS 5 13.316 2.029 4.237 46 H SER 6 H SER 6 15.261 -3.080 -0.923 47 HA SER 6 HA SER 6 18.028 -2.256 -1.008 48 HB2 SER 6 HB2 SER 6 18.916 -4.220 0.030 49 HB3 SER 6 HB3 SER 6 17.896 -3.344 1.185 50 HG SER 6 HG SER 6 17.338 -5.473 1.260 51 H ALA 7 H ALA 7 19.175 -3.852 -2.515 52 HA ALA 7 HA ALA 7 17.387 -5.641 -3.981 53 HB1 ALA 7 HB1 ALA 7 18.643 -3.246 -5.431 54 HB2 ALA 7 HB2 ALA 7 17.613 -4.497 -6.144 55 HB3 ALA 7 HB3 ALA 7 16.933 -3.372 -4.995 56 H THR 8 H THR 8 18.397 -6.780 -5.734 57 HA THR 8 HA THR 8 21.163 -7.551 -5.266 58 HB THR 8 HB THR 8 19.026 -8.539 -7.257 59 HG1 THR 8 HG1 THR 8 18.471 -8.682 -4.991 60 HG21 THR 8 HG21 THR 8 21.059 -9.598 -7.944 61 HG22 THR 8 HG22 THR 8 20.211 -10.765 -6.942 62 HG23 THR 8 HG23 THR 8 21.560 -9.864 -6.250 63 HA PRO 9 HA PRO 9 23.526 -5.149 -8.289 64 HB2 PRO 9 HB2 PRO 9 22.109 -6.309 -10.644 65 HB3 PRO 9 HB3 PRO 9 23.829 -6.039 -10.278 66 HG2 PRO 9 HG2 PRO 9 22.141 -8.444 -9.443 67 HG3 PRO 9 HG3 PRO 9 23.905 -8.387 -9.521 68 HD2 PRO 9 HD2 PRO 9 22.707 -8.347 -7.095 69 HD3 PRO 9 HD3 PRO 9 23.978 -7.133 -7.357 70 H ALA 10 H ALA 10 22.910 -3.407 -7.404 71 HA ALA 10 HA ALA 10 20.583 -1.864 -7.835 72 HB1 ALA 10 HB1 ALA 10 21.936 -0.109 -6.778 73 HB2 ALA 10 HB2 ALA 10 22.045 -1.658 -5.883 74 HB3 ALA 10 HB3 ALA 10 23.438 -1.110 -6.943 75 H ALA 11 H ALA 11 20.613 0.332 -8.651 76 HA ALA 11 HA ALA 11 21.215 0.322 -11.394 77 HB1 ALA 11 HB1 ALA 11 20.821 2.695 -9.602 78 HB2 ALA 11 HB2 ALA 11 20.617 2.691 -11.345 79 HB3 ALA 11 HB3 ALA 11 19.507 1.734 -10.314 80 H ASP 12 H ASP 12 22.756 1.198 -12.622 81 HA ASP 12 HA ASP 12 24.839 1.731 -13.307 82 HB2 ASP 12 HB2 ASP 12 24.175 3.837 -11.929 83 HB3 ASP 12 HB3 ASP 12 25.311 3.271 -10.724 84 H SER 13 H SER 13 24.521 -0.598 -11.122 85 HA SER 13 HA SER 13 27.261 -0.764 -10.104 86 HB2 SER 13 HB2 SER 13 26.649 -2.909 -9.251 87 HB3 SER 13 HB3 SER 13 25.387 -1.745 -8.832 88 HG SER 13 HG SER 13 24.047 -2.644 -10.319 89 H THR 14 H THR 14 28.862 -2.431 -10.765 90 HA THR 14 HA THR 14 28.212 -3.600 -13.421 91 HB THR 14 HB THR 14 30.959 -2.779 -12.500 92 HG1 THR 14 HG1 THR 14 29.388 -1.072 -13.096 93 HG21 THR 14 HG21 THR 14 31.523 -3.168 -14.894 94 HG22 THR 14 HG22 THR 14 29.927 -3.896 -15.128 95 HG23 THR 14 HG23 THR 14 31.100 -4.654 -14.015 96 H VAL 15 H VAL 15 27.806 -5.755 -13.093 97 HA VAL 15 HA VAL 15 29.410 -7.122 -10.966 98 HB VAL 15 HB VAL 15 27.283 -8.307 -10.326 99 HG11 VAL 15 HG11 VAL 15 27.979 -6.225 -9.194 100 HG12 VAL 15 HG12 VAL 15 26.919 -5.267 -10.284 101 HG13 VAL 15 HG13 VAL 15 26.212 -6.479 -9.140 102 HG21 VAL 15 HG21 VAL 15 26.122 -8.079 -12.629 103 HG22 VAL 15 HG22 VAL 15 25.123 -7.688 -11.236 104 HG23 VAL 15 HG23 VAL 15 25.797 -6.380 -12.188 105 H ALA 16 H ALA 16 29.299 -9.543 -10.999 106 HA ALA 16 HA ALA 16 29.551 -10.679 -13.693 107 HB1 ALA 16 HB1 ALA 16 29.703 -12.822 -12.396 108 HB2 ALA 16 HB2 ALA 16 30.861 -11.641 -11.749 109 HB3 ALA 16 HB3 ALA 16 29.314 -11.946 -10.904 110 H ALA 17 H ALA 17 27.812 -12.225 -14.574 111 HA ALA 17 HA ALA 17 25.242 -11.119 -13.958 112 HB1 ALA 17 HB1 ALA 17 25.868 -13.721 -15.360 113 HB2 ALA 17 HB2 ALA 17 24.288 -12.848 -15.342 114 HB3 ALA 17 HB3 ALA 17 25.701 -12.122 -16.130 115 HA PRO 18 HA PRO 18 24.618 -13.511 -10.294 116 HB2 PRO 18 HB2 PRO 18 22.120 -12.783 -9.598 117 HB3 PRO 18 HB3 PRO 18 23.490 -11.645 -9.506 118 HG2 PRO 18 HG2 PRO 18 21.475 -12.077 -11.691 119 HG3 PRO 18 HG3 PRO 18 21.880 -10.522 -10.907 120 HD2 PRO 18 HD2 PRO 18 22.958 -11.221 -13.253 121 HD3 PRO 18 HD3 PRO 18 23.936 -10.369 -12.012 122 H ALA 19 H ALA 19 23.427 -15.428 -9.452 123 HA ALA 19 HA ALA 19 22.538 -17.152 -11.599 124 HB1 ALA 19 HB1 ALA 19 21.917 -18.750 -9.779 125 HB2 ALA 19 HB2 ALA 19 23.510 -18.025 -9.418 126 HB3 ALA 19 HB3 ALA 19 22.051 -17.467 -8.568 127 H ASP 20 H ASP 20 20.877 -15.083 -9.200 128 HA ASP 20 HA ASP 20 18.488 -14.988 -10.918 129 HB2 ASP 20 HB2 ASP 20 16.973 -15.580 -9.080 130 HB3 ASP 20 HB3 ASP 20 18.043 -16.940 -9.416 131 H LEU 21 H LEU 21 17.072 -13.134 -10.083 132 HA LEU 21 HA LEU 21 18.821 -11.159 -8.597 133 HB2 LEU 21 HB2 LEU 21 16.582 -10.586 -10.587 134 HB3 LEU 21 HB3 LEU 21 17.513 -9.420 -9.652 135 HG LEU 21 HG LEU 21 19.530 -9.960 -10.933 136 HD11 LEU 21 HD11 LEU 21 19.215 -11.092 -13.147 137 HD12 LEU 21 HD12 LEU 21 17.607 -11.619 -12.635 138 HD13 LEU 21 HD13 LEU 21 19.079 -12.207 -11.822 139 HD21 LEU 21 HD21 LEU 21 17.106 -9.034 -12.488 140 HD22 LEU 21 HD22 LEU 21 18.788 -8.818 -13.041 141 HD23 LEU 21 HD23 LEU 21 18.235 -8.039 -11.549 142 H ARG 22 H ARG 22 17.971 -10.340 -6.691 143 HA ARG 22 HA ARG 22 15.103 -11.017 -6.127 144 HB2 ARG 22 HB2 ARG 22 17.474 -10.866 -4.310 145 HB3 ARG 22 HB3 ARG 22 15.817 -10.742 -3.686 146 HG2 ARG 22 HG2 ARG 22 15.359 -13.022 -4.718 147 HG3 ARG 22 HG3 ARG 22 17.079 -13.048 -5.191 148 HD2 ARG 22 HD2 ARG 22 17.888 -13.076 -2.998 149 HD3 ARG 22 HD3 ARG 22 16.337 -12.624 -2.256 150 HE ARG 22 HE ARG 22 15.660 -14.834 -2.354 151 HH11 ARG 22 HH11 ARG 22 18.686 -14.612 -4.189 152 HH12 ARG 22 HH12 ARG 22 18.871 -16.355 -4.185 153 HH21 ARG 22 HH21 ARG 22 15.974 -16.927 -2.467 154 HH22 ARG 22 HH22 ARG 22 17.287 -17.663 -3.387 155 H LEU 23 H LEU 23 13.725 -9.459 -5.543 156 HA LEU 23 HA LEU 23 14.855 -6.699 -5.138 157 HB2 LEU 23 HB2 LEU 23 12.124 -7.601 -6.192 158 HB3 LEU 23 HB3 LEU 23 12.559 -5.957 -5.798 159 HG LEU 23 HG LEU 23 14.161 -5.865 -7.611 160 HD11 LEU 23 HD11 LEU 23 14.843 -8.113 -8.038 161 HD12 LEU 23 HD12 LEU 23 13.952 -7.544 -9.476 162 HD13 LEU 23 HD13 LEU 23 13.141 -8.626 -8.350 163 HD21 LEU 23 HD21 LEU 23 11.302 -6.723 -8.324 164 HD22 LEU 23 HD22 LEU 23 12.401 -5.764 -9.386 165 HD23 LEU 23 HD23 LEU 23 11.876 -5.076 -7.843 166 H THR 24 H THR 24 14.273 -5.783 -3.114 167 HA THR 24 HA THR 24 12.614 -7.520 -1.329 168 HB THR 24 HB THR 24 14.957 -5.741 -0.578 169 HG1 THR 24 HG1 THR 24 15.797 -7.894 0.029 170 HG21 THR 24 HG21 THR 24 13.348 -5.846 1.205 171 HG22 THR 24 HG22 THR 24 14.692 -6.959 1.592 172 HG23 THR 24 HG23 THR 24 13.150 -7.613 1.012 173 H PHE 25 H PHE 25 10.790 -6.533 -0.666 174 HA PHE 25 HA PHE 25 10.519 -3.603 -1.166 175 HB2 PHE 25 HB2 PHE 25 8.386 -5.799 -1.111 176 HB3 PHE 25 HB3 PHE 25 8.135 -4.100 -1.508 177 HD1 PHE 25 HD1 PHE 25 9.465 -7.322 -2.700 178 HD2 PHE 25 HD2 PHE 25 8.776 -3.178 -3.675 179 HE1 PHE 25 HE1 PHE 25 9.782 -7.827 -5.128 180 HE2 PHE 25 HE2 PHE 25 9.193 -3.688 -6.110 181 HZ PHE 25 HZ PHE 25 9.576 -6.004 -6.841 182 H SER 26 H SER 26 9.139 -2.403 0.212 183 HA SER 26 HA SER 26 9.529 -2.948 3.021 184 HB2 SER 26 HB2 SER 26 8.295 -0.888 3.323 185 HB3 SER 26 HB3 SER 26 9.475 -0.668 1.998 186 HG SER 26 HG SER 26 7.255 0.085 1.541 187 H GLU 27 H GLU 27 7.095 -3.924 0.805 188 HA GLU 27 HA GLU 27 5.209 -4.704 2.983 189 HB2 GLU 27 HB2 GLU 27 4.453 -2.584 1.901 190 HB3 GLU 27 HB3 GLU 27 4.523 -3.408 0.317 191 HG2 GLU 27 HG2 GLU 27 2.264 -3.399 0.933 192 HG3 GLU 27 HG3 GLU 27 2.822 -5.046 1.219 193 H GLY 28 H GLY 28 4.283 -6.823 2.493 194 HA2 GLY 28 HA2 GLY 28 5.829 -8.408 0.726 195 HA3 GLY 28 HA3 GLY 28 4.300 -8.885 1.467 196 H VAL 29 H VAL 29 5.352 -9.373 -1.318 197 HA VAL 29 HA VAL 29 3.075 -8.100 -2.799 198 HB VAL 29 HB VAL 29 4.522 -8.157 -4.819 199 HG11 VAL 29 HG11 VAL 29 5.968 -6.206 -4.270 200 HG12 VAL 29 HG12 VAL 29 4.374 -6.065 -3.474 201 HG13 VAL 29 HG13 VAL 29 5.772 -6.565 -2.519 202 HG21 VAL 29 HG21 VAL 29 6.950 -8.565 -4.671 203 HG22 VAL 29 HG22 VAL 29 6.862 -8.868 -2.931 204 HG23 VAL 29 HG23 VAL 29 6.061 -9.994 -4.060 205 H GLU 30 H GLU 30 2.307 -9.509 -4.637 206 HA GLU 30 HA GLU 30 2.775 -12.393 -3.997 207 HB2 GLU 30 HB2 GLU 30 0.501 -12.867 -4.765 208 HB3 GLU 30 HB3 GLU 30 0.492 -11.698 -3.408 209 HG2 GLU 30 HG2 GLU 30 0.132 -9.832 -4.959 210 HG3 GLU 30 HG3 GLU 30 0.085 -10.970 -6.333 211 H ALA 31 H ALA 31 3.578 -13.646 -5.526 212 HA ALA 31 HA ALA 31 4.797 -12.408 -7.753 213 HB1 ALA 31 HB1 ALA 31 4.410 -15.334 -6.978 214 HB2 ALA 31 HB2 ALA 31 5.411 -14.788 -8.354 215 HB3 ALA 31 HB3 ALA 31 5.833 -14.306 -6.710 216 H THR 32 H THR 32 1.764 -14.130 -7.528 217 HA THR 32 HA THR 32 1.423 -15.041 -10.176 218 HB THR 32 HB THR 32 -0.668 -14.020 -8.206 219 HG1 THR 32 HG1 THR 32 -0.620 -16.275 -7.557 220 HG21 THR 32 HG21 THR 32 -0.765 -16.021 -10.489 221 HG22 THR 32 HG22 THR 32 -1.722 -14.560 -10.284 222 HG23 THR 32 HG23 THR 32 -2.011 -15.951 -9.256 223 H PHE 33 H PHE 33 0.792 -11.791 -8.829 224 HA PHE 33 HA PHE 33 -0.102 -10.918 -11.522 225 HB2 PHE 33 HB2 PHE 33 -0.417 -9.538 -8.839 226 HB3 PHE 33 HB3 PHE 33 -1.051 -8.949 -10.381 227 HD1 PHE 33 HD1 PHE 33 -1.394 -11.593 -7.765 228 HD2 PHE 33 HD2 PHE 33 -3.006 -9.881 -11.372 229 HE1 PHE 33 HE1 PHE 33 -3.551 -12.795 -7.382 230 HE2 PHE 33 HE2 PHE 33 -5.103 -11.122 -11.032 231 HZ PHE 33 HZ PHE 33 -5.440 -12.565 -9.010 232 H THR 34 H THR 34 2.736 -11.011 -9.772 233 HA THR 34 HA THR 34 3.691 -8.299 -10.405 234 HB THR 34 HB THR 34 5.237 -10.852 -9.616 235 HG1 THR 34 HG1 THR 34 3.741 -10.050 -7.971 236 HG21 THR 34 HG21 THR 34 6.108 -7.937 -9.570 237 HG22 THR 34 HG22 THR 34 6.667 -9.187 -10.694 238 HG23 THR 34 HG23 THR 34 7.004 -9.284 -8.942 239 H LYS 35 H LYS 35 4.698 -7.640 -12.224 240 HA LYS 35 HA LYS 35 5.317 -9.681 -14.330 241 HB2 LYS 35 HB2 LYS 35 3.441 -8.250 -15.006 242 HB3 LYS 35 HB3 LYS 35 4.475 -6.845 -14.751 243 HG2 LYS 35 HG2 LYS 35 6.041 -7.655 -16.506 244 HG3 LYS 35 HG3 LYS 35 4.934 -9.024 -16.833 245 HD2 LYS 35 HD2 LYS 35 3.168 -7.410 -17.388 246 HD3 LYS 35 HD3 LYS 35 4.238 -6.052 -17.061 247 HE2 LYS 35 HE2 LYS 35 4.181 -6.390 -19.447 248 HE3 LYS 35 HE3 LYS 35 5.762 -6.922 -18.930 249 HZ1 LYS 35 HZ1 LYS 35 3.563 -8.841 -19.384 250 HZ2 LYS 35 HZ2 LYS 35 5.131 -9.183 -19.078 251 HZ3 LYS 35 HZ3 LYS 35 4.734 -8.473 -20.491 252 H VAL 36 H VAL 36 7.453 -9.769 -14.965 253 HA VAL 36 HA VAL 36 9.155 -7.417 -14.334 254 HB VAL 36 HB VAL 36 9.927 -10.322 -13.880 255 HG11 VAL 36 HG11 VAL 36 11.880 -9.133 -14.774 256 HG12 VAL 36 HG12 VAL 36 11.539 -7.705 -13.772 257 HG13 VAL 36 HG13 VAL 36 12.083 -9.207 -13.009 258 HG21 VAL 36 HG21 VAL 36 9.587 -8.003 -11.890 259 HG22 VAL 36 HG22 VAL 36 8.522 -9.403 -12.011 260 HG23 VAL 36 HG23 VAL 36 10.208 -9.612 -11.491 261 H SER 37 H SER 37 10.327 -6.771 -16.046 262 HA SER 37 HA SER 37 10.705 -8.698 -18.246 263 HB2 SER 37 HB2 SER 37 9.974 -5.759 -18.480 264 HB3 SER 37 HB3 SER 37 10.419 -6.846 -19.833 265 HG SER 37 HG SER 37 8.237 -7.015 -19.744 266 H LEU 38 H LEU 38 12.624 -8.626 -19.232 267 HA LEU 38 HA LEU 38 14.716 -6.803 -18.108 268 HB2 LEU 38 HB2 LEU 38 14.871 -9.114 -17.107 269 HB3 LEU 38 HB3 LEU 38 14.915 -9.775 -18.730 270 HG LEU 38 HG LEU 38 17.085 -8.665 -19.154 271 HD11 LEU 38 HD11 LEU 38 16.856 -6.901 -17.430 272 HD12 LEU 38 HD12 LEU 38 18.362 -7.811 -17.368 273 HD13 LEU 38 HD13 LEU 38 17.089 -8.179 -16.183 274 HD21 LEU 38 HD21 LEU 38 18.334 -10.239 -17.751 275 HD22 LEU 38 HD22 LEU 38 16.909 -10.965 -18.478 276 HD23 LEU 38 HD23 LEU 38 16.864 -10.517 -16.781 277 H SER 39 H SER 39 15.915 -5.818 -19.666 278 HA SER 39 HA SER 39 15.627 -6.944 -22.427 279 HB2 SER 39 HB2 SER 39 15.437 -3.962 -21.660 280 HB3 SER 39 HB3 SER 39 15.503 -4.606 -23.298 281 HG SER 39 HG SER 39 13.355 -4.329 -22.810 282 H LYS 40 H LYS 40 17.300 -6.713 -23.768 283 HA LYS 40 HA LYS 40 19.927 -5.733 -22.609 284 HB2 LYS 40 HB2 LYS 40 19.673 -8.236 -22.927 285 HB3 LYS 40 HB3 LYS 40 19.259 -7.968 -24.614 286 HG2 LYS 40 HG2 LYS 40 21.524 -6.999 -25.005 287 HG3 LYS 40 HG3 LYS 40 21.937 -7.365 -23.334 288 HD2 LYS 40 HD2 LYS 40 22.785 -9.194 -24.639 289 HD3 LYS 40 HD3 LYS 40 21.323 -9.790 -23.832 290 HE2 LYS 40 HE2 LYS 40 20.003 -9.432 -25.916 291 HE3 LYS 40 HE3 LYS 40 21.503 -8.879 -26.715 292 HZ1 LYS 40 HZ1 LYS 40 21.156 -11.187 -27.180 293 HZ2 LYS 40 HZ2 LYS 40 21.002 -11.559 -25.593 294 HZ3 LYS 40 HZ3 LYS 40 22.460 -11.066 -26.185 295 H ASP 41 H ASP 41 20.216 -3.751 -23.654 296 HA ASP 41 HA ASP 41 20.424 -2.226 -25.320 297 HB2 ASP 41 HB2 ASP 41 20.749 -4.638 -27.134 298 HB3 ASP 41 HB3 ASP 41 21.096 -2.931 -27.588 299 H GLY 42 H GLY 42 17.773 -3.010 -24.594 300 HA2 GLY 42 HA2 GLY 42 15.712 -2.225 -25.321 301 HA3 GLY 42 HA3 GLY 42 16.381 -1.916 -26.918 302 H THR 43 H THR 43 16.961 -5.179 -25.975 303 HA THR 43 HA THR 43 14.409 -6.042 -27.321 304 HB THR 43 HB THR 43 17.094 -7.491 -27.435 305 HG1 THR 43 HG1 THR 43 16.982 -6.805 -29.643 306 HG21 THR 43 HG21 THR 43 15.104 -8.892 -27.511 307 HG22 THR 43 HG22 THR 43 16.105 -8.923 -28.976 308 HG23 THR 43 HG23 THR 43 14.561 -7.986 -28.926 309 H GLU 44 H GLU 44 13.102 -7.303 -26.032 310 HA GLU 44 HA GLU 44 13.841 -7.781 -23.321 311 HB2 GLU 44 HB2 GLU 44 11.603 -9.011 -24.977 312 HB3 GLU 44 HB3 GLU 44 11.868 -9.273 -23.250 313 HG2 GLU 44 HG2 GLU 44 11.609 -6.842 -22.892 314 HG3 GLU 44 HG3 GLU 44 11.202 -6.592 -24.566 315 H VAL 45 H VAL 45 14.390 -9.470 -22.134 316 HA VAL 45 HA VAL 45 15.569 -11.811 -23.575 317 HB VAL 45 HB VAL 45 16.223 -10.605 -20.809 318 HG11 VAL 45 HG11 VAL 45 18.209 -12.202 -20.880 319 HG12 VAL 45 HG12 VAL 45 16.612 -12.975 -20.717 320 HG13 VAL 45 HG13 VAL 45 17.486 -12.953 -22.307 321 HG21 VAL 45 HG21 VAL 45 17.031 -9.186 -22.609 322 HG22 VAL 45 HG22 VAL 45 18.389 -10.003 -21.835 323 HG23 VAL 45 HG23 VAL 45 17.847 -10.604 -23.391 324 H ALA 46 H ALA 46 14.741 -13.819 -23.014 325 HA ALA 46 HA ALA 46 12.250 -13.850 -21.724 326 HB1 ALA 46 HB1 ALA 46 12.417 -16.307 -21.938 327 HB2 ALA 46 HB2 ALA 46 12.859 -15.435 -23.445 328 HB3 ALA 46 HB3 ALA 46 14.134 -16.124 -22.412 329 H ILE 47 H ILE 47 11.511 -14.744 -19.832 330 HA ILE 47 HA ILE 47 13.492 -14.905 -17.613 331 HB ILE 47 HB ILE 47 10.542 -14.083 -17.557 332 HG12 ILE 47 HG12 ILE 47 11.903 -12.300 -18.549 333 HG13 ILE 47 HG13 ILE 47 11.315 -11.837 -16.962 334 HG21 ILE 47 HG21 ILE 47 12.587 -14.311 -15.339 335 HG22 ILE 47 HG22 ILE 47 11.078 -13.405 -15.171 336 HG23 ILE 47 HG23 ILE 47 11.003 -15.147 -15.472 337 HD11 ILE 47 HD11 ILE 47 13.591 -11.091 -17.215 338 HD12 ILE 47 HD12 ILE 47 13.599 -12.426 -16.046 339 HD13 ILE 47 HD13 ILE 47 14.163 -12.666 -17.711 340 H LYS 48 H LYS 48 13.533 -16.932 -16.542 341 HA LYS 48 HA LYS 48 11.989 -19.106 -17.698 342 HB2 LYS 48 HB2 LYS 48 14.315 -19.329 -16.665 343 HB3 LYS 48 HB3 LYS 48 13.596 -18.997 -15.096 344 HG2 LYS 48 HG2 LYS 48 12.261 -21.068 -15.285 345 HG3 LYS 48 HG3 LYS 48 13.082 -21.443 -16.812 346 HD2 LYS 48 HD2 LYS 48 14.441 -21.017 -14.094 347 HD3 LYS 48 HD3 LYS 48 14.039 -22.602 -14.806 348 HE2 LYS 48 HE2 LYS 48 15.476 -22.054 -16.774 349 HE3 LYS 48 HE3 LYS 48 15.947 -20.543 -15.955 350 HZ1 LYS 48 HZ1 LYS 48 17.573 -22.253 -15.603 351 HZ2 LYS 48 HZ2 LYS 48 16.461 -23.303 -14.969 352 HZ3 LYS 48 HZ3 LYS 48 16.871 -21.900 -14.173 353 H GLY 49 H GLY 49 11.761 -17.058 -14.766 354 HA2 GLY 49 HA2 GLY 49 8.983 -17.337 -14.496 355 HA3 GLY 49 HA3 GLY 49 9.686 -18.611 -13.503 356 H LEU 50 H LEU 50 8.422 -17.134 -11.942 357 HA LEU 50 HA LEU 50 10.460 -15.566 -10.543 358 HB2 LEU 50 HB2 LEU 50 9.118 -13.656 -10.112 359 HB3 LEU 50 HB3 LEU 50 9.286 -13.837 -11.868 360 HG LEU 50 HG LEU 50 6.815 -14.506 -10.241 361 HD11 LEU 50 HD11 LEU 50 7.381 -12.114 -10.250 362 HD12 LEU 50 HD12 LEU 50 5.874 -12.505 -11.175 363 HD13 LEU 50 HD13 LEU 50 7.383 -12.159 -12.058 364 HD21 LEU 50 HD21 LEU 50 5.640 -14.411 -12.455 365 HD22 LEU 50 HD22 LEU 50 6.727 -15.792 -12.246 366 HD23 LEU 50 HD23 LEU 50 7.237 -14.395 -13.238 367 H GLU 51 H GLU 51 10.072 -15.604 -8.244 368 HA GLU 51 HA GLU 51 7.639 -16.952 -7.272 369 HB2 GLU 51 HB2 GLU 51 8.814 -18.849 -6.330 370 HB3 GLU 51 HB3 GLU 51 9.005 -18.820 -8.078 371 HG2 GLU 51 HG2 GLU 51 11.282 -17.895 -7.847 372 HG3 GLU 51 HG3 GLU 51 11.104 -17.980 -6.081 373 H THR 52 H THR 52 7.724 -17.363 -4.863 374 HA THR 52 HA THR 52 9.626 -15.533 -3.462 375 HB THR 52 HB THR 52 7.747 -15.030 -1.819 376 HG1 THR 52 HG1 THR 52 6.470 -16.899 -2.351 377 HG21 THR 52 HG21 THR 52 6.359 -13.565 -3.267 378 HG22 THR 52 HG22 THR 52 7.060 -14.363 -4.691 379 HG23 THR 52 HG23 THR 52 8.116 -13.417 -3.572 380 HA PRO 53 HA PRO 53 9.717 -19.684 -1.545 381 HB2 PRO 53 HB2 PRO 53 12.297 -19.764 -0.714 382 HB3 PRO 53 HB3 PRO 53 11.899 -19.969 -2.436 383 HG2 PRO 53 HG2 PRO 53 12.849 -17.527 -1.001 384 HG3 PRO 53 HG3 PRO 53 13.432 -18.265 -2.531 385 HD2 PRO 53 HD2 PRO 53 11.651 -16.208 -2.602 386 HD3 PRO 53 HD3 PRO 53 11.636 -17.498 -3.830 387 H ASP 54 H ASP 54 10.599 -16.526 -0.197 388 HA ASP 54 HA ASP 54 11.124 -17.349 2.512 389 HB2 ASP 54 HB2 ASP 54 10.182 -14.707 1.285 390 HB3 ASP 54 HB3 ASP 54 10.673 -14.877 2.988 391 H ALA 55 H ALA 55 9.923 -17.160 4.340 392 HA ALA 55 HA ALA 55 7.136 -17.925 4.165 393 HB1 ALA 55 HB1 ALA 55 8.732 -16.722 6.507 394 HB2 ALA 55 HB2 ALA 55 7.169 -17.566 6.633 395 HB3 ALA 55 HB3 ALA 55 8.633 -18.446 6.132 396 H ASP 56 H ASP 56 8.771 -14.746 4.703 397 HA ASP 56 HA ASP 56 6.134 -13.408 4.409 398 HB2 ASP 56 HB2 ASP 56 8.900 -12.335 5.213 399 HB3 ASP 56 HB3 ASP 56 7.461 -11.337 4.909 400 H LYS 57 H LYS 57 5.600 -12.931 2.397 401 HA LYS 57 HA LYS 57 7.447 -13.259 0.201 402 HB2 LYS 57 HB2 LYS 57 4.628 -12.154 0.264 403 HB3 LYS 57 HB3 LYS 57 5.537 -12.615 -1.161 404 HG2 LYS 57 HG2 LYS 57 5.670 -14.924 -0.381 405 HG3 LYS 57 HG3 LYS 57 4.718 -14.468 1.048 406 HD2 LYS 57 HD2 LYS 57 3.797 -14.244 -1.832 407 HD3 LYS 57 HD3 LYS 57 3.355 -15.574 -0.737 408 HE2 LYS 57 HE2 LYS 57 2.654 -12.618 -0.327 409 HE3 LYS 57 HE3 LYS 57 1.536 -13.876 -0.914 410 HZ1 LYS 57 HZ1 LYS 57 1.153 -13.657 1.421 411 HZ2 LYS 57 HZ2 LYS 57 2.762 -13.707 1.792 412 HZ3 LYS 57 HZ3 LYS 57 1.996 -15.080 1.261 413 H LYS 58 H LYS 58 8.397 -11.203 1.941 414 HA LYS 58 HA LYS 58 7.940 -8.609 0.653 415 HB2 LYS 58 HB2 LYS 58 9.918 -9.385 2.770 416 HB3 LYS 58 HB3 LYS 58 9.661 -7.758 2.140 417 HG2 LYS 58 HG2 LYS 58 7.328 -7.834 2.873 418 HG3 LYS 58 HG3 LYS 58 7.575 -9.438 3.580 419 HD2 LYS 58 HD2 LYS 58 9.288 -8.472 5.106 420 HD3 LYS 58 HD3 LYS 58 8.991 -6.854 4.384 421 HE2 LYS 58 HE2 LYS 58 6.610 -7.038 5.074 422 HE3 LYS 58 HE3 LYS 58 6.907 -8.603 5.796 423 HZ1 LYS 58 HZ1 LYS 58 8.192 -6.100 6.672 424 HZ2 LYS 58 HZ2 LYS 58 8.375 -7.594 7.342 425 HZ3 LYS 58 HZ3 LYS 58 6.905 -6.833 7.424 426 H THR 59 H THR 59 9.691 -11.298 -0.080 427 HA THR 59 HA THR 59 11.614 -9.723 -1.732 428 HB THR 59 HB THR 59 12.104 -12.439 -0.480 429 HG1 THR 59 HG1 THR 59 13.308 -11.418 0.988 430 HG21 THR 59 HG21 THR 59 14.465 -11.997 -1.102 431 HG22 THR 59 HG22 THR 59 13.927 -10.576 -2.011 432 HG23 THR 59 HG23 THR 59 13.388 -12.210 -2.458 433 H LEU 60 H LEU 60 11.709 -10.174 -3.858 434 HA LEU 60 HA LEU 60 10.054 -12.520 -4.807 435 HB2 LEU 60 HB2 LEU 60 9.010 -10.308 -5.125 436 HB3 LEU 60 HB3 LEU 60 10.382 -9.790 -6.084 437 HG LEU 60 HG LEU 60 8.399 -10.179 -7.385 438 HD11 LEU 60 HD11 LEU 60 9.402 -11.230 -9.201 439 HD12 LEU 60 HD12 LEU 60 10.380 -12.254 -8.183 440 HD13 LEU 60 HD13 LEU 60 10.742 -10.548 -8.294 441 HD21 LEU 60 HD21 LEU 60 8.699 -13.115 -6.689 442 HD22 LEU 60 HD22 LEU 60 7.505 -12.373 -7.806 443 HD23 LEU 60 HD23 LEU 60 7.446 -12.002 -6.080 444 H VAL 61 H VAL 61 11.104 -13.949 -6.076 445 HA VAL 61 HA VAL 61 13.941 -13.297 -6.833 446 HB VAL 61 HB VAL 61 12.420 -16.001 -6.713 447 HG11 VAL 61 HG11 VAL 61 14.727 -16.961 -6.800 448 HG12 VAL 61 HG12 VAL 61 14.150 -16.222 -8.320 449 HG13 VAL 61 HG13 VAL 61 15.334 -15.370 -7.285 450 HG21 VAL 61 HG21 VAL 61 12.767 -15.012 -4.437 451 HG22 VAL 61 HG22 VAL 61 13.748 -16.461 -4.679 452 HG23 VAL 61 HG23 VAL 61 14.499 -14.840 -4.792 453 H VAL 62 H VAL 62 14.563 -13.142 -8.923 454 HA VAL 62 HA VAL 62 12.564 -14.018 -10.992 455 HB VAL 62 HB VAL 62 14.531 -11.651 -11.160 456 HG11 VAL 62 HG11 VAL 62 12.436 -12.639 -13.137 457 HG12 VAL 62 HG12 VAL 62 13.393 -11.151 -13.323 458 HG13 VAL 62 HG13 VAL 62 14.210 -12.759 -13.347 459 HG21 VAL 62 HG21 VAL 62 12.578 -11.193 -9.698 460 HG22 VAL 62 HG22 VAL 62 12.539 -10.182 -11.175 461 HG23 VAL 62 HG23 VAL 62 11.479 -11.641 -11.044 462 H THR 63 H THR 63 13.332 -15.535 -12.428 463 HA THR 63 HA THR 63 16.287 -15.974 -12.360 464 HB THR 63 HB THR 63 14.144 -18.067 -12.855 465 HG1 THR 63 HG1 THR 63 14.195 -18.354 -10.762 466 HG21 THR 63 HG21 THR 63 17.177 -18.171 -12.604 467 HG22 THR 63 HG22 THR 63 16.153 -18.723 -13.956 468 HG23 THR 63 HG23 THR 63 16.118 -19.619 -12.412 469 HA PRO 64 HA PRO 64 15.808 -14.771 -16.641 470 HB2 PRO 64 HB2 PRO 64 18.419 -14.695 -17.403 471 HB3 PRO 64 HB3 PRO 64 17.751 -13.510 -16.238 472 HG2 PRO 64 HG2 PRO 64 19.290 -16.034 -15.615 473 HG3 PRO 64 HG3 PRO 64 19.595 -14.369 -15.035 474 HD2 PRO 64 HD2 PRO 64 18.164 -16.120 -13.527 475 HD3 PRO 64 HD3 PRO 64 17.751 -14.360 -13.573 476 H ALA 65 H ALA 65 15.973 -15.840 -18.730 477 HA ALA 65 HA ALA 65 15.770 -18.698 -18.659 478 HB1 ALA 65 HB1 ALA 65 16.126 -16.807 -20.970 479 HB2 ALA 65 HB2 ALA 65 15.693 -18.519 -21.101 480 HB3 ALA 65 HB3 ALA 65 14.594 -17.380 -20.290 481 H ALA 66 H ALA 66 18.515 -16.625 -19.277 482 HA ALA 66 HA ALA 66 20.335 -18.973 -19.431 483 HB1 ALA 66 HB1 ALA 66 19.743 -18.683 -21.849 484 HB2 ALA 66 HB2 ALA 66 20.025 -16.966 -21.747 485 HB3 ALA 66 HB3 ALA 66 21.324 -18.075 -21.603 486 HA PRO 67 HA PRO 67 22.700 -16.036 -17.217 487 HB2 PRO 67 HB2 PRO 67 25.269 -16.499 -17.906 488 HB3 PRO 67 HB3 PRO 67 24.340 -17.639 -16.924 489 HG2 PRO 67 HG2 PRO 67 24.790 -17.664 -19.906 490 HG3 PRO 67 HG3 PRO 67 25.100 -18.981 -18.741 491 HD2 PRO 67 HD2 PRO 67 22.831 -18.955 -20.144 492 HD3 PRO 67 HD3 PRO 67 22.780 -19.340 -18.375 493 H LEU 68 H LEU 68 23.687 -13.952 -17.464 494 HA LEU 68 HA LEU 68 23.230 -12.888 -20.131 495 HB2 LEU 68 HB2 LEU 68 23.952 -11.412 -17.599 496 HB3 LEU 68 HB3 LEU 68 23.402 -10.702 -19.093 497 HG LEU 68 HG LEU 68 21.729 -12.475 -17.290 498 HD11 LEU 68 HD11 LEU 68 22.263 -10.203 -16.367 499 HD12 LEU 68 HD12 LEU 68 20.570 -10.465 -16.694 500 HD13 LEU 68 HD13 LEU 68 21.513 -9.503 -17.806 501 HD21 LEU 68 HD21 LEU 68 20.935 -12.770 -19.544 502 HD22 LEU 68 HD22 LEU 68 21.028 -11.037 -19.863 503 HD23 LEU 68 HD23 LEU 68 19.805 -11.697 -18.739 504 H ALA 69 H ALA 69 24.579 -12.000 -21.500 505 HA ALA 69 HA ALA 69 27.445 -12.405 -21.145 506 HB1 ALA 69 HB1 ALA 69 26.324 -12.717 -23.367 507 HB2 ALA 69 HB2 ALA 69 25.856 -11.034 -23.364 508 HB3 ALA 69 HB3 ALA 69 27.563 -11.460 -23.456 509 H ALA 70 H ALA 70 28.925 -10.447 -21.581 510 HA ALA 70 HA ALA 70 28.408 -8.327 -19.749 511 HB1 ALA 70 HB1 ALA 70 30.263 -8.299 -22.193 512 HB2 ALA 70 HB2 ALA 70 30.425 -7.349 -20.707 513 HB3 ALA 70 HB3 ALA 70 30.653 -9.090 -20.636 514 H GLY 71 H GLY 71 27.653 -6.180 -20.079 515 HA2 GLY 71 HA2 GLY 71 27.262 -4.632 -22.149 516 HA3 GLY 71 HA3 GLY 71 26.000 -5.835 -22.521 517 H ASN 72 H ASN 72 24.913 -3.528 -22.346 518 HA ASN 72 HA ASN 72 24.208 -2.818 -19.520 519 HB2 ASN 72 HB2 ASN 72 24.812 -1.111 -21.211 520 HB3 ASN 72 HB3 ASN 72 23.358 -1.491 -22.128 521 HD21 ASN 72 HD21 ASN 72 24.619 0.700 -20.127 522 HD22 ASN 72 HD22 ASN 72 23.184 1.265 -19.300 523 H TYR 73 H TYR 73 22.369 -3.268 -18.546 524 HA TYR 73 HA TYR 73 20.157 -4.371 -20.229 525 HB2 TYR 73 HB2 TYR 73 21.157 -5.407 -17.522 526 HB3 TYR 73 HB3 TYR 73 19.702 -5.943 -18.390 527 HD1 TYR 73 HD1 TYR 73 19.721 -7.635 -20.070 528 HD2 TYR 73 HD2 TYR 73 23.383 -5.917 -18.675 529 HE1 TYR 73 HE1 TYR 73 21.030 -9.321 -21.398 530 HE2 TYR 73 HE2 TYR 73 24.677 -7.590 -20.018 531 HH TYR 73 HH TYR 73 24.573 -9.382 -21.287 532 H LYS 74 H LYS 74 18.040 -4.152 -19.438 533 HA LYS 74 HA LYS 74 17.697 -2.090 -17.280 534 HB2 LYS 74 HB2 LYS 74 17.210 -1.217 -19.623 535 HB3 LYS 74 HB3 LYS 74 16.032 -2.521 -19.798 536 HG2 LYS 74 HG2 LYS 74 14.729 -0.612 -19.356 537 HG3 LYS 74 HG3 LYS 74 14.763 -1.574 -17.880 538 HD2 LYS 74 HD2 LYS 74 14.968 0.665 -17.121 539 HD3 LYS 74 HD3 LYS 74 16.598 -0.031 -17.037 540 HE2 LYS 74 HE2 LYS 74 16.667 2.224 -17.942 541 HE3 LYS 74 HE3 LYS 74 17.109 1.126 -19.238 542 HZ1 LYS 74 HZ1 LYS 74 14.765 1.263 -19.993 543 HZ2 LYS 74 HZ2 LYS 74 15.481 2.761 -19.990 544 HZ3 LYS 74 HZ3 LYS 74 14.405 2.344 -18.792 545 H VAL 75 H VAL 75 16.166 -2.606 -15.724 546 HA VAL 75 HA VAL 75 14.572 -5.092 -16.168 547 HB VAL 75 HB VAL 75 15.657 -3.941 -13.533 548 HG11 VAL 75 HG11 VAL 75 13.434 -4.956 -13.207 549 HG12 VAL 75 HG12 VAL 75 13.890 -6.381 -14.107 550 HG13 VAL 75 HG13 VAL 75 14.605 -6.038 -12.545 551 HG21 VAL 75 HG21 VAL 75 16.303 -6.629 -14.885 552 HG22 VAL 75 HG22 VAL 75 17.343 -5.160 -15.000 553 HG23 VAL 75 HG23 VAL 75 17.066 -5.939 -13.419 554 H VAL 76 H VAL 76 12.429 -4.669 -16.239 555 HA VAL 76 HA VAL 76 11.458 -2.093 -15.022 556 HB VAL 76 HB VAL 76 10.435 -3.506 -17.528 557 HG11 VAL 76 HG11 VAL 76 9.485 -0.966 -16.118 558 HG12 VAL 76 HG12 VAL 76 8.938 -1.508 -17.709 559 HG13 VAL 76 HG13 VAL 76 8.620 -2.510 -16.269 560 HG21 VAL 76 HG21 VAL 76 11.209 -1.489 -18.756 561 HG22 VAL 76 HG22 VAL 76 11.835 -0.769 -17.241 562 HG23 VAL 76 HG23 VAL 76 12.570 -2.258 -17.894 563 H TRP 77 H TRP 77 9.747 -2.416 -13.545 564 HA TRP 77 HA TRP 77 8.567 -5.100 -13.493 565 HB2 TRP 77 HB2 TRP 77 9.027 -5.372 -11.048 566 HB3 TRP 77 HB3 TRP 77 10.468 -5.389 -11.982 567 HD1 TRP 77 HD1 TRP 77 12.182 -3.271 -11.697 568 HE1 TRP 77 HE1 TRP 77 12.469 -1.425 -9.984 569 HE3 TRP 77 HE3 TRP 77 7.761 -3.905 -9.300 570 HZ2 TRP 77 HZ2 TRP 77 10.910 -0.333 -7.878 571 HZ3 TRP 77 HZ3 TRP 77 7.214 -2.422 -7.351 572 HH2 TRP 77 HH2 TRP 77 8.741 -0.573 -6.731 573 H ASN 78 H ASN 78 6.742 -5.378 -12.387 574 HA ASN 78 HA ASN 78 5.409 -3.017 -11.190 575 HB2 ASN 78 HB2 ASN 78 4.599 -3.198 -13.565 576 HB3 ASN 78 HB3 ASN 78 4.001 -4.826 -13.210 577 HD21 ASN 78 HD21 ASN 78 2.836 -1.949 -13.734 578 HD22 ASN 78 HD22 ASN 78 1.541 -1.858 -12.573 579 H ALA 79 H ALA 79 4.849 -3.666 -9.188 580 HA ALA 79 HA ALA 79 4.592 -6.633 -8.733 581 HB1 ALA 79 HB1 ALA 79 5.687 -6.296 -6.557 582 HB2 ALA 79 HB2 ALA 79 6.712 -5.753 -7.896 583 HB3 ALA 79 HB3 ALA 79 5.865 -4.566 -6.917 584 H VAL 80 H VAL 80 2.986 -7.214 -7.205 585 HA VAL 80 HA VAL 80 1.098 -5.009 -6.613 586 HB VAL 80 HB VAL 80 0.452 -7.926 -7.292 587 HG11 VAL 80 HG11 VAL 80 -1.206 -7.039 -5.769 588 HG12 VAL 80 HG12 VAL 80 -1.374 -5.592 -6.810 589 HG13 VAL 80 HG13 VAL 80 -1.841 -7.231 -7.382 590 HG21 VAL 80 HG21 VAL 80 0.371 -5.311 -8.914 591 HG22 VAL 80 HG22 VAL 80 1.135 -6.867 -9.350 592 HG23 VAL 80 HG23 VAL 80 -0.649 -6.741 -9.365 593 H SER 81 H SER 81 0.629 -4.743 -4.573 594 HA SER 81 HA SER 81 2.006 -6.243 -2.530 595 HB2 SER 81 HB2 SER 81 -0.135 -4.098 -2.305 596 HB3 SER 81 HB3 SER 81 0.848 -4.776 -0.991 597 HG SER 81 HG SER 81 2.662 -4.129 -2.435 598 H VAL 82 H VAL 82 0.866 -7.360 -0.717 599 HA VAL 82 HA VAL 82 -1.143 -9.137 -1.824 600 HB VAL 82 HB VAL 82 -1.279 -10.119 0.454 601 HG11 VAL 82 HG11 VAL 82 1.136 -10.729 0.714 602 HG12 VAL 82 HG12 VAL 82 0.472 -11.003 -0.897 603 HG13 VAL 82 HG13 VAL 82 1.534 -9.572 -0.603 604 HG21 VAL 82 HG21 VAL 82 0.082 -9.248 2.273 605 HG22 VAL 82 HG22 VAL 82 0.637 -7.889 1.223 606 HG23 VAL 82 HG23 VAL 82 -1.079 -8.022 1.720 607 H ASP 83 H ASP 83 -1.375 -6.037 -0.482 608 HA ASP 83 HA ASP 83 -4.204 -6.367 0.198 609 HB2 ASP 83 HB2 ASP 83 -2.463 -4.838 1.396 610 HB3 ASP 83 HB3 ASP 83 -2.703 -3.734 0.042 611 H THR 84 H THR 84 -3.085 -6.809 -2.497 612 HA THR 84 HA THR 84 -3.363 -6.486 -4.684 613 HB THR 84 HB THR 84 -5.590 -5.995 -5.556 614 HG1 THR 84 HG1 THR 84 -7.233 -5.421 -4.048 615 HG21 THR 84 HG21 THR 84 -6.767 -7.779 -4.306 616 HG22 THR 84 HG22 THR 84 -5.676 -7.621 -2.957 617 HG23 THR 84 HG23 THR 84 -5.087 -8.214 -4.535 618 H HIS 85 H HIS 85 -2.827 -3.676 -3.048 619 HA HIS 85 HA HIS 85 -3.249 -1.739 -5.104 620 HB2 HIS 85 HB2 HIS 85 -1.289 -1.842 -2.793 621 HB3 HIS 85 HB3 HIS 85 -1.498 -0.465 -3.820 622 HD1 HIS 85 HD1 HIS 85 -4.001 0.629 -3.853 623 HD2 HIS 85 HD2 HIS 85 -3.072 -1.926 -0.697 624 HE1 HIS 85 HE1 HIS 85 -5.719 1.049 -2.050 625 H LYS 86 H LYS 86 -1.653 -0.819 -6.602 626 HA LYS 86 HA LYS 86 0.464 -2.787 -7.303 627 HB2 LYS 86 HB2 LYS 86 -0.941 -0.849 -9.069 628 HB3 LYS 86 HB3 LYS 86 0.314 -1.991 -9.551 629 HG2 LYS 86 HG2 LYS 86 -1.167 -3.861 -8.846 630 HG3 LYS 86 HG3 LYS 86 -2.447 -2.693 -8.481 631 HD2 LYS 86 HD2 LYS 86 -2.383 -1.913 -10.829 632 HD3 LYS 86 HD3 LYS 86 -1.182 -3.168 -11.203 633 HE2 LYS 86 HE2 LYS 86 -2.786 -4.945 -10.488 634 HE3 LYS 86 HE3 LYS 86 -4.037 -3.678 -10.205 635 HZ1 LYS 86 HZ1 LYS 86 -3.818 -3.080 -12.577 636 HZ2 LYS 86 HZ2 LYS 86 -4.296 -4.643 -12.372 637 HZ3 LYS 86 HZ3 LYS 86 -2.745 -4.330 -12.789 638 H SER 87 H SER 87 2.529 -2.127 -8.106 639 HA SER 87 HA SER 87 3.194 0.756 -7.860 640 HB2 SER 87 HB2 SER 87 3.565 -0.146 -5.570 641 HB3 SER 87 HB3 SER 87 4.549 -1.441 -6.246 642 HG SER 87 HG SER 87 5.833 0.339 -5.451 643 H ASN 88 H ASN 88 5.175 1.250 -9.055 644 HA ASN 88 HA ASN 88 6.345 -1.011 -10.555 645 HB2 ASN 88 HB2 ASN 88 6.085 0.030 -12.703 646 HB3 ASN 88 HB3 ASN 88 4.500 -0.151 -11.965 647 HD21 ASN 88 HD21 ASN 88 3.867 1.899 -10.626 648 HD22 ASN 88 HD22 ASN 88 4.191 3.439 -11.386 649 H GLY 89 H GLY 89 8.297 -0.423 -11.867 650 HA2 GLY 89 HA2 GLY 89 9.558 2.129 -11.616 651 HA3 GLY 89 HA3 GLY 89 10.156 1.070 -10.359 652 H GLU 90 H GLU 90 12.099 1.855 -12.044 653 HA GLU 90 HA GLU 90 12.706 -0.644 -13.441 654 HB2 GLU 90 HB2 GLU 90 13.165 0.359 -15.600 655 HB3 GLU 90 HB3 GLU 90 11.515 0.773 -15.146 656 HG2 GLU 90 HG2 GLU 90 12.291 3.043 -14.488 657 HG3 GLU 90 HG3 GLU 90 13.900 2.582 -15.069 658 H TYR 91 H TYR 91 15.031 -0.810 -13.921 659 HA TYR 91 HA TYR 91 16.699 1.456 -13.218 660 HB2 TYR 91 HB2 TYR 91 18.037 0.262 -11.518 661 HB3 TYR 91 HB3 TYR 91 16.360 0.464 -10.984 662 HD1 TYR 91 HD1 TYR 91 18.944 -1.965 -12.110 663 HD2 TYR 91 HD2 TYR 91 14.891 -1.509 -10.632 664 HE1 TYR 91 HE1 TYR 91 18.886 -4.387 -11.603 665 HE2 TYR 91 HE2 TYR 91 14.852 -4.003 -10.134 666 HH TYR 91 HH TYR 91 16.131 -5.966 -10.018 667 H SER 92 H SER 92 18.996 1.050 -13.798 668 HA SER 92 HA SER 92 19.210 -1.196 -15.753 669 HB2 SER 92 HB2 SER 92 20.508 0.281 -17.231 670 HB3 SER 92 HB3 SER 92 18.901 0.941 -16.945 671 HG SER 92 HG SER 92 21.392 1.760 -15.888 672 H PHE 93 H PHE 93 21.361 -1.984 -16.102 673 HA PHE 93 HA PHE 93 23.471 -1.174 -14.264 674 HB2 PHE 93 HB2 PHE 93 23.683 -3.232 -13.004 675 HB3 PHE 93 HB3 PHE 93 22.016 -2.649 -12.788 676 HD1 PHE 93 HD1 PHE 93 24.200 -5.272 -14.139 677 HD2 PHE 93 HD2 PHE 93 20.127 -3.898 -13.901 678 HE1 PHE 93 HE1 PHE 93 23.382 -7.514 -14.929 679 HE2 PHE 93 HE2 PHE 93 19.323 -6.069 -14.750 680 HZ PHE 93 HZ PHE 93 20.967 -7.874 -15.255 681 H LYS 94 H LYS 94 25.463 -2.670 -14.636 682 HA LYS 94 HA LYS 94 25.359 -3.632 -17.457 683 HB2 LYS 94 HB2 LYS 94 26.524 -1.402 -17.159 684 HB3 LYS 94 HB3 LYS 94 27.688 -2.219 -16.096 685 HG2 LYS 94 HG2 LYS 94 28.392 -3.626 -17.973 686 HG3 LYS 94 HG3 LYS 94 27.257 -2.764 -19.061 687 HD2 LYS 94 HD2 LYS 94 28.362 -0.592 -18.453 688 HD3 LYS 94 HD3 LYS 94 29.571 -1.515 -17.510 689 HE2 LYS 94 HE2 LYS 94 30.238 -2.747 -19.650 690 HE3 LYS 94 HE3 LYS 94 29.055 -1.741 -20.552 691 HZ1 LYS 94 HZ1 LYS 94 31.143 -0.777 -20.792 692 HZ2 LYS 94 HZ2 LYS 94 31.458 -0.798 -19.160 693 HZ3 LYS 94 HZ3 LYS 94 30.273 0.222 -19.772 694 H VAL 95 H VAL 95 26.129 -5.596 -17.853 695 HA VAL 95 HA VAL 95 27.196 -7.136 -15.532 696 HB VAL 95 HB VAL 95 26.628 -7.996 -18.396 697 HG11 VAL 95 HG11 VAL 95 26.783 -10.307 -17.545 698 HG12 VAL 95 HG12 VAL 95 28.325 -9.442 -17.463 699 HG13 VAL 95 HG13 VAL 95 27.371 -9.677 -15.970 700 HG21 VAL 95 HG21 VAL 95 25.136 -8.518 -15.785 701 HG22 VAL 95 HG22 VAL 95 24.605 -7.340 -17.091 702 HG23 VAL 95 HG23 VAL 95 24.667 -9.086 -17.440 703 H GLY 96 H GLY 96 29.318 -7.658 -15.255 704 HA2 GLY 96 HA2 GLY 96 31.233 -7.648 -17.369 705 HA3 GLY 96 HA3 GLY 96 31.382 -6.174 -16.325 706 H GLN 97 H GLN 97 31.570 -9.664 -16.570 707 HA GLN 97 HA GLN 97 32.191 -10.250 -13.796 708 HB2 GLN 97 HB2 GLN 97 31.192 -11.832 -15.538 709 HB3 GLN 97 HB3 GLN 97 32.767 -11.811 -16.348 710 HG2 GLN 97 HG2 GLN 97 33.772 -12.831 -14.327 711 HG3 GLN 97 HG3 GLN 97 32.169 -12.836 -13.547 712 HE21 GLN 97 HE21 GLN 97 34.328 -14.706 -15.062 713 HE22 GLN 97 HE22 GLN 97 33.289 -15.878 -15.805 Start of MODEL 7 1 H1 HIS 1 H1 HIS 1 3.683 1.111 1.964 2 H2 HIS 1 H2 HIS 1 2.019 0.968 2.204 3 H3 HIS 1 H3 HIS 1 2.980 -0.409 2.252 4 HA HIS 1 HA HIS 1 1.822 -0.333 0.154 5 HB2 HIS 1 HB2 HIS 1 3.107 2.438 -0.046 6 HB3 HIS 1 HB3 HIS 1 2.280 1.631 -1.392 7 HD1 HIS 1 HD1 HIS 1 1.588 3.339 1.989 8 HD2 HIS 1 HD2 HIS 1 -0.452 1.741 -1.277 9 HE1 HIS 1 HE1 HIS 1 -0.777 4.088 2.120 10 H ALA 2 H ALA 2 2.935 -1.119 -1.839 11 HA ALA 2 HA ALA 2 5.540 -2.104 -1.044 12 HB1 ALA 2 HB1 ALA 2 3.924 -3.471 -2.323 13 HB2 ALA 2 HB2 ALA 2 4.093 -2.393 -3.721 14 HB3 ALA 2 HB3 ALA 2 5.469 -3.376 -3.153 15 H HIS 3 H HIS 3 7.319 -0.923 -1.074 16 HA HIS 3 HA HIS 3 8.038 0.424 -3.636 17 HB2 HIS 3 HB2 HIS 3 8.446 1.572 -0.830 18 HB3 HIS 3 HB3 HIS 3 9.134 2.245 -2.360 19 HD1 HIS 3 HD1 HIS 3 7.229 3.077 -4.191 20 HD2 HIS 3 HD2 HIS 3 5.977 2.486 -0.241 21 HE1 HIS 3 HE1 HIS 3 4.976 4.211 -3.908 22 H LEU 4 H LEU 4 10.271 0.220 -4.079 23 HA LEU 4 HA LEU 4 11.539 -2.125 -3.037 24 HB2 LEU 4 HB2 LEU 4 11.693 -1.231 -5.379 25 HB3 LEU 4 HB3 LEU 4 12.628 0.090 -4.773 26 HG LEU 4 HG LEU 4 14.408 -1.582 -4.091 27 HD11 LEU 4 HD11 LEU 4 14.294 -3.839 -5.093 28 HD12 LEU 4 HD12 LEU 4 12.645 -3.550 -5.594 29 HD13 LEU 4 HD13 LEU 4 13.050 -3.615 -3.865 30 HD21 LEU 4 HD21 LEU 4 15.021 -2.112 -6.506 31 HD22 LEU 4 HD22 LEU 4 14.599 -0.411 -6.182 32 HD23 LEU 4 HD23 LEU 4 13.422 -1.459 -6.975 33 H LYS 5 H LYS 5 13.073 -2.348 -1.418 34 HA LYS 5 HA LYS 5 14.120 0.174 -0.209 35 HB2 LYS 5 HB2 LYS 5 13.921 -2.587 0.963 36 HB3 LYS 5 HB3 LYS 5 14.695 -1.173 1.729 37 HG2 LYS 5 HG2 LYS 5 12.567 0.013 1.809 38 HG3 LYS 5 HG3 LYS 5 11.786 -1.316 0.975 39 HD2 LYS 5 HD2 LYS 5 11.331 -1.526 3.351 40 HD3 LYS 5 HD3 LYS 5 12.369 -2.881 2.841 41 HE2 LYS 5 HE2 LYS 5 13.184 -1.989 4.986 42 HE3 LYS 5 HE3 LYS 5 14.344 -1.680 3.720 43 HZ1 LYS 5 HZ1 LYS 5 12.334 0.362 4.403 44 HZ2 LYS 5 HZ2 LYS 5 13.750 0.570 3.632 45 HZ3 LYS 5 HZ3 LYS 5 13.741 0.260 5.244 46 H SER 6 H SER 6 15.126 -2.961 -1.546 47 HA SER 6 HA SER 6 17.850 -1.972 -1.858 48 HB2 SER 6 HB2 SER 6 18.897 -3.813 -0.664 49 HB3 SER 6 HB3 SER 6 17.857 -2.915 0.465 50 HG SER 6 HG SER 6 16.594 -4.572 0.647 51 H ALA 7 H ALA 7 19.132 -3.677 -3.110 52 HA ALA 7 HA ALA 7 17.490 -5.676 -4.421 53 HB1 ALA 7 HB1 ALA 7 16.917 -3.496 -5.614 54 HB2 ALA 7 HB2 ALA 7 18.629 -3.446 -6.165 55 HB3 ALA 7 HB3 ALA 7 17.553 -4.791 -6.644 56 H THR 8 H THR 8 18.483 -6.933 -6.005 57 HA THR 8 HA THR 8 21.292 -7.583 -5.623 58 HB THR 8 HB THR 8 19.029 -8.734 -7.325 59 HG1 THR 8 HG1 THR 8 18.407 -8.897 -5.210 60 HG21 THR 8 HG21 THR 8 20.281 -10.906 -6.940 61 HG22 THR 8 HG22 THR 8 21.654 -9.937 -6.503 62 HG23 THR 8 HG23 THR 8 20.933 -9.819 -8.144 63 HA PRO 9 HA PRO 9 23.422 -5.465 -9.079 64 HB2 PRO 9 HB2 PRO 9 21.465 -6.594 -11.092 65 HB3 PRO 9 HB3 PRO 9 23.256 -6.414 -11.156 66 HG2 PRO 9 HG2 PRO 9 21.697 -8.736 -9.880 67 HG3 PRO 9 HG3 PRO 9 23.442 -8.717 -10.258 68 HD2 PRO 9 HD2 PRO 9 22.710 -8.570 -7.649 69 HD3 PRO 9 HD3 PRO 9 23.949 -7.416 -8.240 70 H ALA 10 H ALA 10 22.775 -3.917 -7.820 71 HA ALA 10 HA ALA 10 20.502 -2.305 -8.047 72 HB1 ALA 10 HB1 ALA 10 23.259 -1.723 -6.946 73 HB2 ALA 10 HB2 ALA 10 21.802 -0.745 -6.710 74 HB3 ALA 10 HB3 ALA 10 21.848 -2.340 -6.103 75 H ALA 11 H ALA 11 20.489 0.009 -8.581 76 HA ALA 11 HA ALA 11 20.990 0.306 -11.277 77 HB1 ALA 11 HB1 ALA 11 20.407 2.631 -11.018 78 HB2 ALA 11 HB2 ALA 11 19.394 1.675 -9.926 79 HB3 ALA 11 HB3 ALA 11 20.791 2.563 -9.301 80 H ASP 12 H ASP 12 22.497 1.152 -12.564 81 HA ASP 12 HA ASP 12 24.551 1.706 -13.349 82 HB2 ASP 12 HB2 ASP 12 23.939 3.796 -11.911 83 HB3 ASP 12 HB3 ASP 12 25.066 3.124 -10.729 84 H SER 13 H SER 13 24.358 -0.604 -11.198 85 HA SER 13 HA SER 13 27.112 -0.735 -10.293 86 HB2 SER 13 HB2 SER 13 24.916 -2.756 -10.137 87 HB3 SER 13 HB3 SER 13 26.482 -2.861 -9.327 88 HG SER 13 HG SER 13 24.483 -0.910 -8.931 89 H THR 14 H THR 14 28.717 -2.324 -10.935 90 HA THR 14 HA THR 14 28.159 -3.627 -13.554 91 HB THR 14 HB THR 14 30.869 -2.844 -12.446 92 HG1 THR 14 HG1 THR 14 28.990 -1.484 -13.941 93 HG21 THR 14 HG21 THR 14 31.060 -4.781 -13.899 94 HG22 THR 14 HG22 THR 14 31.643 -3.314 -14.743 95 HG23 THR 14 HG23 THR 14 30.034 -3.985 -15.121 96 H VAL 15 H VAL 15 27.713 -5.803 -13.139 97 HA VAL 15 HA VAL 15 29.229 -7.138 -10.921 98 HB VAL 15 HB VAL 15 27.141 -8.344 -10.335 99 HG11 VAL 15 HG11 VAL 15 27.713 -6.236 -9.181 100 HG12 VAL 15 HG12 VAL 15 26.720 -5.313 -10.364 101 HG13 VAL 15 HG13 VAL 15 25.936 -6.520 -9.257 102 HG21 VAL 15 HG21 VAL 15 25.016 -7.828 -11.319 103 HG22 VAL 15 HG22 VAL 15 25.650 -6.451 -12.244 104 HG23 VAL 15 HG23 VAL 15 26.045 -8.127 -12.699 105 H ALA 16 H ALA 16 29.259 -9.544 -11.039 106 HA ALA 16 HA ALA 16 29.574 -10.595 -13.750 107 HB1 ALA 16 HB1 ALA 16 30.879 -11.567 -11.954 108 HB2 ALA 16 HB2 ALA 16 29.420 -11.853 -10.979 109 HB3 ALA 16 HB3 ALA 16 29.714 -12.765 -12.479 110 H ALA 17 H ALA 17 28.009 -12.331 -14.606 111 HA ALA 17 HA ALA 17 25.328 -11.440 -14.267 112 HB1 ALA 17 HB1 ALA 17 26.280 -14.118 -15.380 113 HB2 ALA 17 HB2 ALA 17 24.663 -13.393 -15.632 114 HB3 ALA 17 HB3 ALA 17 26.109 -12.610 -16.324 115 HA PRO 18 HA PRO 18 24.671 -13.649 -10.484 116 HB2 PRO 18 HB2 PRO 18 22.154 -12.913 -9.876 117 HB3 PRO 18 HB3 PRO 18 23.474 -11.730 -9.848 118 HG2 PRO 18 HG2 PRO 18 21.535 -12.374 -12.039 119 HG3 PRO 18 HG3 PRO 18 21.864 -10.778 -11.330 120 HD2 PRO 18 HD2 PRO 18 23.058 -11.597 -13.604 121 HD3 PRO 18 HD3 PRO 18 23.981 -10.634 -12.401 122 H ALA 19 H ALA 19 23.431 -15.494 -9.525 123 HA ALA 19 HA ALA 19 22.538 -17.385 -11.539 124 HB1 ALA 19 HB1 ALA 19 23.418 -18.116 -9.266 125 HB2 ALA 19 HB2 ALA 19 21.979 -17.395 -8.517 126 HB3 ALA 19 HB3 ALA 19 21.796 -18.765 -9.596 127 H ASP 20 H ASP 20 20.931 -15.121 -9.324 128 HA ASP 20 HA ASP 20 18.601 -15.013 -11.091 129 HB2 ASP 20 HB2 ASP 20 16.966 -15.534 -9.340 130 HB3 ASP 20 HB3 ASP 20 18.030 -16.899 -9.587 131 H LEU 21 H LEU 21 17.157 -13.113 -10.374 132 HA LEU 21 HA LEU 21 18.908 -11.050 -9.046 133 HB2 LEU 21 HB2 LEU 21 16.652 -10.641 -11.029 134 HB3 LEU 21 HB3 LEU 21 17.583 -9.384 -10.235 135 HG LEU 21 HG LEU 21 19.606 -10.096 -11.505 136 HD11 LEU 21 HD11 LEU 21 19.115 -12.380 -12.141 137 HD12 LEU 21 HD12 LEU 21 19.236 -11.414 -13.599 138 HD13 LEU 21 HD13 LEU 21 17.649 -11.863 -12.999 139 HD21 LEU 21 HD21 LEU 21 18.170 -8.208 -12.193 140 HD22 LEU 21 HD22 LEU 21 17.238 -9.366 -13.220 141 HD23 LEU 21 HD23 LEU 21 18.951 -9.039 -13.571 142 H ARG 22 H ARG 22 18.038 -10.211 -7.142 143 HA ARG 22 HA ARG 22 15.248 -10.952 -6.510 144 HB2 ARG 22 HB2 ARG 22 17.583 -10.838 -4.642 145 HB3 ARG 22 HB3 ARG 22 15.882 -11.240 -4.208 146 HG2 ARG 22 HG2 ARG 22 16.059 -13.134 -5.878 147 HG3 ARG 22 HG3 ARG 22 17.822 -12.786 -5.994 148 HD2 ARG 22 HD2 ARG 22 17.946 -13.153 -3.515 149 HD3 ARG 22 HD3 ARG 22 16.203 -13.593 -3.553 150 HE ARG 22 HE ARG 22 17.663 -15.103 -5.513 151 HH11 ARG 22 HH11 ARG 22 17.013 -14.962 -2.017 152 HH12 ARG 22 HH12 ARG 22 17.210 -16.704 -1.836 153 HH21 ARG 22 HH21 ARG 22 17.838 -17.285 -5.157 154 HH22 ARG 22 HH22 ARG 22 17.751 -17.991 -3.547 155 H LEU 23 H LEU 23 13.896 -9.480 -5.518 156 HA LEU 23 HA LEU 23 15.107 -6.745 -5.047 157 HB2 LEU 23 HB2 LEU 23 12.374 -7.503 -6.224 158 HB3 LEU 23 HB3 LEU 23 12.899 -5.890 -5.796 159 HG LEU 23 HG LEU 23 14.559 -5.876 -7.584 160 HD11 LEU 23 HD11 LEU 23 13.409 -8.592 -8.325 161 HD12 LEU 23 HD12 LEU 23 15.086 -8.154 -8.132 162 HD13 LEU 23 HD13 LEU 23 14.121 -7.518 -9.511 163 HD21 LEU 23 HD21 LEU 23 12.271 -4.925 -7.759 164 HD22 LEU 23 HD22 LEU 23 11.706 -6.480 -8.467 165 HD23 LEU 23 HD23 LEU 23 12.952 -5.515 -9.345 166 H THR 24 H THR 24 14.422 -5.814 -3.081 167 HA THR 24 HA THR 24 12.601 -7.493 -1.380 168 HB THR 24 HB THR 24 14.863 -5.713 -0.467 169 HG1 THR 24 HG1 THR 24 15.957 -7.625 -0.118 170 HG21 THR 24 HG21 THR 24 13.290 -7.826 1.063 171 HG22 THR 24 HG22 THR 24 12.934 -6.093 1.169 172 HG23 THR 24 HG23 THR 24 14.505 -6.694 1.721 173 H PHE 25 H PHE 25 10.756 -6.508 -0.775 174 HA PHE 25 HA PHE 25 10.584 -3.531 -1.104 175 HB2 PHE 25 HB2 PHE 25 8.393 -5.676 -1.307 176 HB3 PHE 25 HB3 PHE 25 8.185 -3.946 -1.577 177 HD1 PHE 25 HD1 PHE 25 9.430 -7.099 -3.002 178 HD2 PHE 25 HD2 PHE 25 9.048 -2.850 -3.570 179 HE1 PHE 25 HE1 PHE 25 9.907 -7.371 -5.445 180 HE2 PHE 25 HE2 PHE 25 9.644 -3.103 -5.995 181 HZ PHE 25 HZ PHE 25 9.991 -5.350 -6.945 182 H SER 26 H SER 26 9.111 -2.364 0.306 183 HA SER 26 HA SER 26 9.445 -3.080 3.085 184 HB2 SER 26 HB2 SER 26 8.189 -0.974 3.471 185 HB3 SER 26 HB3 SER 26 9.409 -0.767 2.190 186 HG SER 26 HG SER 26 6.636 -0.792 2.035 187 H GLU 27 H GLU 27 6.999 -3.861 0.808 188 HA GLU 27 HA GLU 27 5.143 -4.825 2.954 189 HB2 GLU 27 HB2 GLU 27 4.287 -2.791 1.793 190 HB3 GLU 27 HB3 GLU 27 4.524 -3.622 0.227 191 HG2 GLU 27 HG2 GLU 27 2.273 -3.731 0.601 192 HG3 GLU 27 HG3 GLU 27 2.824 -5.338 1.060 193 H GLY 28 H GLY 28 4.278 -6.943 2.506 194 HA2 GLY 28 HA2 GLY 28 5.945 -8.529 0.828 195 HA3 GLY 28 HA3 GLY 28 4.434 -9.059 1.585 196 H VAL 29 H VAL 29 5.447 -9.593 -1.218 197 HA VAL 29 HA VAL 29 3.219 -8.208 -2.685 198 HB VAL 29 HB VAL 29 4.636 -8.300 -4.717 199 HG11 VAL 29 HG11 VAL 29 5.894 -6.798 -2.376 200 HG12 VAL 29 HG12 VAL 29 6.272 -6.454 -4.098 201 HG13 VAL 29 HG13 VAL 29 4.622 -6.246 -3.447 202 HG21 VAL 29 HG21 VAL 29 6.909 -9.206 -2.875 203 HG22 VAL 29 HG22 VAL 29 6.077 -10.262 -4.061 204 HG23 VAL 29 HG23 VAL 29 7.014 -8.892 -4.608 205 H GLU 30 H GLU 30 2.402 -9.299 -4.539 206 HA GLU 30 HA GLU 30 2.134 -12.188 -3.954 207 HB2 GLU 30 HB2 GLU 30 0.591 -10.279 -5.696 208 HB3 GLU 30 HB3 GLU 30 0.186 -11.999 -5.570 209 HG2 GLU 30 HG2 GLU 30 0.362 -10.304 -3.074 210 HG3 GLU 30 HG3 GLU 30 -1.096 -10.228 -4.129 211 H ALA 31 H ALA 31 3.317 -13.616 -5.178 212 HA ALA 31 HA ALA 31 4.857 -12.772 -7.430 213 HB1 ALA 31 HB1 ALA 31 4.018 -15.580 -6.543 214 HB2 ALA 31 HB2 ALA 31 5.280 -15.231 -7.761 215 HB3 ALA 31 HB3 ALA 31 5.481 -14.720 -6.074 216 H THR 32 H THR 32 1.684 -14.019 -6.988 217 HA THR 32 HA THR 32 1.046 -15.052 -9.493 218 HB THR 32 HB THR 32 -0.703 -13.569 -7.473 219 HG1 THR 32 HG1 THR 32 -0.930 -15.678 -6.574 220 HG21 THR 32 HG21 THR 32 -2.020 -14.121 -9.465 221 HG22 THR 32 HG22 THR 32 -2.449 -15.255 -8.191 222 HG23 THR 32 HG23 THR 32 -1.380 -15.762 -9.472 223 H PHE 33 H PHE 33 0.960 -11.640 -8.377 224 HA PHE 33 HA PHE 33 -0.080 -10.907 -11.063 225 HB2 PHE 33 HB2 PHE 33 -0.184 -9.280 -8.535 226 HB3 PHE 33 HB3 PHE 33 -0.912 -8.811 -10.081 227 HD1 PHE 33 HD1 PHE 33 -1.314 -10.641 -6.957 228 HD2 PHE 33 HD2 PHE 33 -2.872 -10.212 -10.949 229 HE1 PHE 33 HE1 PHE 33 -3.415 -11.788 -6.272 230 HE2 PHE 33 HE2 PHE 33 -4.954 -11.408 -10.272 231 HZ PHE 33 HZ PHE 33 -5.266 -12.162 -7.903 232 H THR 34 H THR 34 2.784 -10.945 -9.445 233 HA THR 34 HA THR 34 3.748 -8.298 -10.285 234 HB THR 34 HB THR 34 5.259 -10.773 -9.326 235 HG1 THR 34 HG1 THR 34 4.013 -10.074 -7.629 236 HG21 THR 34 HG21 THR 34 7.029 -9.170 -8.702 237 HG22 THR 34 HG22 THR 34 6.123 -7.832 -9.465 238 HG23 THR 34 HG23 THR 34 6.768 -9.190 -10.464 239 H LYS 35 H LYS 35 4.827 -7.781 -12.200 240 HA LYS 35 HA LYS 35 5.605 -10.067 -13.951 241 HB2 LYS 35 HB2 LYS 35 4.262 -7.543 -14.849 242 HB3 LYS 35 HB3 LYS 35 5.071 -8.740 -15.917 243 HG2 LYS 35 HG2 LYS 35 3.459 -10.475 -15.202 244 HG3 LYS 35 HG3 LYS 35 2.674 -9.297 -14.123 245 HD2 LYS 35 HD2 LYS 35 1.350 -9.530 -16.165 246 HD3 LYS 35 HD3 LYS 35 2.017 -7.891 -16.106 247 HE2 LYS 35 HE2 LYS 35 2.138 -8.717 -18.353 248 HE3 LYS 35 HE3 LYS 35 3.790 -8.632 -17.723 249 HZ1 LYS 35 HZ1 LYS 35 3.826 -10.923 -17.475 250 HZ2 LYS 35 HZ2 LYS 35 3.201 -10.679 -18.957 251 HZ3 LYS 35 HZ3 LYS 35 2.225 -11.119 -17.708 252 H VAL 36 H VAL 36 7.709 -9.922 -14.746 253 HA VAL 36 HA VAL 36 9.059 -7.285 -14.334 254 HB VAL 36 HB VAL 36 10.214 -10.028 -13.607 255 HG11 VAL 36 HG11 VAL 36 11.415 -7.194 -13.654 256 HG12 VAL 36 HG12 VAL 36 12.100 -8.519 -12.708 257 HG13 VAL 36 HG13 VAL 36 12.039 -8.649 -14.511 258 HG21 VAL 36 HG21 VAL 36 10.308 -8.990 -11.285 259 HG22 VAL 36 HG22 VAL 36 9.315 -7.667 -11.865 260 HG23 VAL 36 HG23 VAL 36 8.664 -9.313 -11.815 261 H SER 37 H SER 37 10.290 -6.679 -16.064 262 HA SER 37 HA SER 37 10.726 -8.715 -18.152 263 HB2 SER 37 HB2 SER 37 10.068 -5.759 -18.458 264 HB3 SER 37 HB3 SER 37 10.524 -6.867 -19.780 265 HG SER 37 HG SER 37 8.261 -6.945 -18.118 266 H LEU 38 H LEU 38 12.773 -8.697 -19.076 267 HA LEU 38 HA LEU 38 14.789 -6.791 -17.968 268 HB2 LEU 38 HB2 LEU 38 14.938 -9.037 -16.833 269 HB3 LEU 38 HB3 LEU 38 15.012 -9.792 -18.414 270 HG LEU 38 HG LEU 38 17.195 -8.826 -18.884 271 HD11 LEU 38 HD11 LEU 38 17.158 -7.913 -15.988 272 HD12 LEU 38 HD12 LEU 38 17.081 -6.830 -17.428 273 HD13 LEU 38 HD13 LEU 38 18.515 -7.846 -17.130 274 HD21 LEU 38 HD21 LEU 38 17.037 -10.340 -16.250 275 HD22 LEU 38 HD22 LEU 38 18.474 -10.209 -17.366 276 HD23 LEU 38 HD23 LEU 38 16.964 -11.021 -17.895 277 H SER 39 H SER 39 16.101 -5.960 -19.523 278 HA SER 39 HA SER 39 15.928 -7.224 -22.209 279 HB2 SER 39 HB2 SER 39 15.690 -4.230 -21.561 280 HB3 SER 39 HB3 SER 39 15.782 -4.923 -23.195 281 HG SER 39 HG SER 39 13.762 -5.290 -21.263 282 H LYS 40 H LYS 40 17.675 -6.923 -23.566 283 HA LYS 40 HA LYS 40 20.251 -5.935 -22.285 284 HB2 LYS 40 HB2 LYS 40 20.091 -8.394 -22.772 285 HB3 LYS 40 HB3 LYS 40 19.706 -8.018 -24.450 286 HG2 LYS 40 HG2 LYS 40 21.945 -6.934 -24.693 287 HG3 LYS 40 HG3 LYS 40 22.341 -7.393 -23.035 288 HD2 LYS 40 HD2 LYS 40 23.251 -9.089 -24.514 289 HD3 LYS 40 HD3 LYS 40 21.826 -9.815 -23.747 290 HE2 LYS 40 HE2 LYS 40 20.496 -9.226 -25.774 291 HE3 LYS 40 HE3 LYS 40 21.986 -8.584 -26.541 292 HZ1 LYS 40 HZ1 LYS 40 21.220 -11.338 -25.916 293 HZ2 LYS 40 HZ2 LYS 40 22.828 -10.989 -26.098 294 HZ3 LYS 40 HZ3 LYS 40 21.757 -10.720 -27.344 295 H ASP 41 H ASP 41 20.847 -4.030 -23.325 296 HA ASP 41 HA ASP 41 21.192 -2.535 -25.009 297 HB2 ASP 41 HB2 ASP 41 22.287 -4.598 -26.017 298 HB3 ASP 41 HB3 ASP 41 20.821 -4.738 -27.052 299 H GLY 42 H GLY 42 18.456 -3.074 -24.079 300 HA2 GLY 42 HA2 GLY 42 16.405 -2.056 -24.576 301 HA3 GLY 42 HA3 GLY 42 17.017 -1.664 -26.202 302 H THR 43 H THR 43 17.407 -5.006 -25.540 303 HA THR 43 HA THR 43 14.796 -5.565 -26.914 304 HB THR 43 HB THR 43 17.429 -7.078 -27.191 305 HG1 THR 43 HG1 THR 43 17.758 -5.843 -28.959 306 HG21 THR 43 HG21 THR 43 15.000 -7.280 -28.921 307 HG22 THR 43 HG22 THR 43 15.344 -8.367 -27.567 308 HG23 THR 43 HG23 THR 43 16.497 -8.276 -28.933 309 H GLU 44 H GLU 44 13.439 -6.959 -25.801 310 HA GLU 44 HA GLU 44 13.963 -7.786 -23.165 311 HB2 GLU 44 HB2 GLU 44 11.867 -8.850 -25.050 312 HB3 GLU 44 HB3 GLU 44 11.969 -9.144 -23.309 313 HG2 GLU 44 HG2 GLU 44 11.746 -6.675 -22.965 314 HG3 GLU 44 HG3 GLU 44 11.475 -6.438 -24.675 315 H VAL 45 H VAL 45 14.444 -9.622 -22.128 316 HA VAL 45 HA VAL 45 15.704 -11.821 -23.757 317 HB VAL 45 HB VAL 45 16.380 -10.705 -20.932 318 HG11 VAL 45 HG11 VAL 45 18.418 -12.270 -21.127 319 HG12 VAL 45 HG12 VAL 45 16.859 -13.088 -20.890 320 HG13 VAL 45 HG13 VAL 45 17.628 -13.057 -22.515 321 HG21 VAL 45 HG21 VAL 45 18.020 -10.548 -23.502 322 HG22 VAL 45 HG22 VAL 45 17.145 -9.237 -22.707 323 HG23 VAL 45 HG23 VAL 45 18.518 -10.022 -21.883 324 H ALA 46 H ALA 46 14.987 -13.913 -23.209 325 HA ALA 46 HA ALA 46 12.468 -14.192 -22.014 326 HB1 ALA 46 HB1 ALA 46 13.358 -15.766 -23.668 327 HB2 ALA 46 HB2 ALA 46 14.662 -16.237 -22.576 328 HB3 ALA 46 HB3 ALA 46 12.975 -16.667 -22.167 329 H ILE 47 H ILE 47 11.770 -15.189 -20.082 330 HA ILE 47 HA ILE 47 13.687 -15.179 -17.779 331 HB ILE 47 HB ILE 47 10.817 -14.123 -17.845 332 HG12 ILE 47 HG12 ILE 47 12.386 -12.544 -18.906 333 HG13 ILE 47 HG13 ILE 47 11.789 -11.939 -17.361 334 HG21 ILE 47 HG21 ILE 47 11.353 -13.308 -15.512 335 HG22 ILE 47 HG22 ILE 47 11.135 -15.062 -15.689 336 HG23 ILE 47 HG23 ILE 47 12.761 -14.366 -15.529 337 HD11 ILE 47 HD11 ILE 47 14.163 -11.411 -17.493 338 HD12 ILE 47 HD12 ILE 47 13.984 -12.734 -16.317 339 HD13 ILE 47 HD13 ILE 47 14.587 -13.051 -17.961 340 H LYS 48 H LYS 48 13.560 -16.985 -16.438 341 HA LYS 48 HA LYS 48 12.130 -19.298 -17.352 342 HB2 LYS 48 HB2 LYS 48 14.312 -19.290 -16.014 343 HB3 LYS 48 HB3 LYS 48 13.384 -18.764 -14.609 344 HG2 LYS 48 HG2 LYS 48 13.774 -21.050 -14.268 345 HG3 LYS 48 HG3 LYS 48 12.097 -20.888 -14.699 346 HD2 LYS 48 HD2 LYS 48 12.887 -22.842 -15.807 347 HD3 LYS 48 HD3 LYS 48 12.760 -21.586 -17.061 348 HE2 LYS 48 HE2 LYS 48 15.151 -21.129 -16.876 349 HE3 LYS 48 HE3 LYS 48 15.302 -22.402 -15.629 350 HZ1 LYS 48 HZ1 LYS 48 15.856 -23.169 -17.914 351 HZ2 LYS 48 HZ2 LYS 48 14.366 -22.761 -18.445 352 HZ3 LYS 48 HZ3 LYS 48 14.543 -23.986 -17.350 353 H GLY 49 H GLY 49 11.441 -16.863 -14.888 354 HA2 GLY 49 HA2 GLY 49 8.778 -16.800 -14.693 355 HA3 GLY 49 HA3 GLY 49 9.070 -18.348 -13.863 356 H LEU 50 H LEU 50 8.105 -16.901 -11.989 357 HA LEU 50 HA LEU 50 10.371 -15.728 -10.545 358 HB2 LEU 50 HB2 LEU 50 9.416 -13.622 -10.056 359 HB3 LEU 50 HB3 LEU 50 9.431 -13.830 -11.814 360 HG LEU 50 HG LEU 50 6.991 -14.027 -9.998 361 HD11 LEU 50 HD11 LEU 50 8.057 -11.822 -10.144 362 HD12 LEU 50 HD12 LEU 50 6.435 -11.882 -10.947 363 HD13 LEU 50 HD13 LEU 50 7.911 -11.894 -11.942 364 HD21 LEU 50 HD21 LEU 50 5.672 -13.863 -12.091 365 HD22 LEU 50 HD22 LEU 50 6.610 -15.362 -11.987 366 HD23 LEU 50 HD23 LEU 50 7.168 -14.017 -13.025 367 H GLU 51 H GLU 51 10.025 -15.454 -8.209 368 HA GLU 51 HA GLU 51 7.553 -16.600 -7.096 369 HB2 GLU 51 HB2 GLU 51 8.580 -18.432 -5.989 370 HB3 GLU 51 HB3 GLU 51 8.819 -18.554 -7.730 371 HG2 GLU 51 HG2 GLU 51 11.126 -17.758 -7.495 372 HG3 GLU 51 HG3 GLU 51 10.933 -17.671 -5.748 373 H THR 52 H THR 52 7.580 -16.705 -4.677 374 HA THR 52 HA THR 52 9.501 -14.726 -3.487 375 HB THR 52 HB THR 52 7.649 -14.042 -1.959 376 HG1 THR 52 HG1 THR 52 6.404 -16.004 -2.403 377 HG21 THR 52 HG21 THR 52 8.071 -12.605 -3.872 378 HG22 THR 52 HG22 THR 52 6.289 -12.746 -3.606 379 HG23 THR 52 HG23 THR 52 7.060 -13.693 -4.919 380 HA PRO 53 HA PRO 53 9.681 -18.622 -1.152 381 HB2 PRO 53 HB2 PRO 53 12.288 -18.645 -0.385 382 HB3 PRO 53 HB3 PRO 53 11.805 -18.974 -2.090 383 HG2 PRO 53 HG2 PRO 53 12.712 -16.422 -0.823 384 HG3 PRO 53 HG3 PRO 53 13.357 -17.276 -2.275 385 HD2 PRO 53 HD2 PRO 53 11.542 -15.224 -2.471 386 HD3 PRO 53 HD3 PRO 53 11.530 -16.628 -3.580 387 H ASP 54 H ASP 54 10.608 -15.409 0.090 388 HA ASP 54 HA ASP 54 11.066 -16.248 2.813 389 HB2 ASP 54 HB2 ASP 54 10.305 -13.587 1.597 390 HB3 ASP 54 HB3 ASP 54 10.681 -13.810 3.309 391 H ALA 55 H ALA 55 9.813 -16.089 4.627 392 HA ALA 55 HA ALA 55 7.082 -16.961 4.292 393 HB1 ALA 55 HB1 ALA 55 6.982 -16.785 6.728 394 HB2 ALA 55 HB2 ALA 55 8.567 -17.435 6.239 395 HB3 ALA 55 HB3 ALA 55 8.441 -15.738 6.750 396 H ASP 56 H ASP 56 8.514 -13.731 4.887 397 HA ASP 56 HA ASP 56 5.956 -12.517 5.338 398 HB2 ASP 56 HB2 ASP 56 7.214 -10.447 5.602 399 HB3 ASP 56 HB3 ASP 56 7.974 -11.795 6.502 400 H LYS 57 H LYS 57 7.559 -13.544 2.699 401 HA LYS 57 HA LYS 57 7.345 -13.374 0.428 402 HB2 LYS 57 HB2 LYS 57 4.796 -11.804 1.060 403 HB3 LYS 57 HB3 LYS 57 5.189 -12.494 -0.507 404 HG2 LYS 57 HG2 LYS 57 4.745 -14.054 2.067 405 HG3 LYS 57 HG3 LYS 57 3.551 -13.801 0.781 406 HD2 LYS 57 HD2 LYS 57 4.971 -15.003 -0.803 407 HD3 LYS 57 HD3 LYS 57 6.140 -15.324 0.496 408 HE2 LYS 57 HE2 LYS 57 3.238 -16.240 0.565 409 HE3 LYS 57 HE3 LYS 57 4.674 -17.235 0.150 410 HZ1 LYS 57 HZ1 LYS 57 4.197 -17.546 2.480 411 HZ2 LYS 57 HZ2 LYS 57 4.104 -15.909 2.792 412 HZ3 LYS 57 HZ3 LYS 57 5.564 -16.601 2.415 413 H LYS 58 H LYS 58 8.833 -11.272 1.930 414 HA LYS 58 HA LYS 58 8.255 -8.806 0.372 415 HB2 LYS 58 HB2 LYS 58 10.266 -9.284 2.553 416 HB3 LYS 58 HB3 LYS 58 9.992 -7.757 1.700 417 HG2 LYS 58 HG2 LYS 58 7.668 -7.698 2.460 418 HG3 LYS 58 HG3 LYS 58 7.935 -9.171 3.440 419 HD2 LYS 58 HD2 LYS 58 9.740 -7.889 4.711 420 HD3 LYS 58 HD3 LYS 58 9.343 -6.447 3.716 421 HE2 LYS 58 HE2 LYS 58 6.982 -6.592 4.556 422 HE3 LYS 58 HE3 LYS 58 7.433 -7.947 5.585 423 HZ1 LYS 58 HZ1 LYS 58 8.952 -6.516 6.770 424 HZ2 LYS 58 HZ2 LYS 58 7.425 -5.882 6.825 425 HZ3 LYS 58 HZ3 LYS 58 8.558 -5.225 5.823 426 H THR 59 H THR 59 10.368 -11.457 0.100 427 HA THR 59 HA THR 59 12.013 -9.855 -1.788 428 HB THR 59 HB THR 59 12.694 -12.558 -0.631 429 HG1 THR 59 HG1 THR 59 13.233 -11.426 1.015 430 HG21 THR 59 HG21 THR 59 14.996 -11.977 -1.487 431 HG22 THR 59 HG22 THR 59 14.260 -10.616 -2.352 432 HG23 THR 59 HG23 THR 59 13.795 -12.277 -2.727 433 H LEU 60 H LEU 60 11.772 -9.998 -3.826 434 HA LEU 60 HA LEU 60 10.050 -12.183 -4.977 435 HB2 LEU 60 HB2 LEU 60 9.357 -9.830 -5.164 436 HB3 LEU 60 HB3 LEU 60 10.851 -9.479 -6.033 437 HG LEU 60 HG LEU 60 8.904 -9.500 -7.456 438 HD11 LEU 60 HD11 LEU 60 10.541 -11.849 -8.293 439 HD12 LEU 60 HD12 LEU 60 11.196 -10.178 -8.263 440 HD13 LEU 60 HD13 LEU 60 9.756 -10.576 -9.294 441 HD21 LEU 60 HD21 LEU 60 7.626 -11.225 -6.227 442 HD22 LEU 60 HD22 LEU 60 8.692 -12.491 -6.832 443 HD23 LEU 60 HD23 LEU 60 7.699 -11.574 -7.950 444 H VAL 61 H VAL 61 11.075 -13.694 -6.342 445 HA VAL 61 HA VAL 61 13.953 -13.098 -7.050 446 HB VAL 61 HB VAL 61 12.524 -15.808 -6.642 447 HG11 VAL 61 HG11 VAL 61 14.275 -16.100 -8.203 448 HG12 VAL 61 HG12 VAL 61 15.384 -15.120 -7.284 449 HG13 VAL 61 HG13 VAL 61 14.844 -16.717 -6.671 450 HG21 VAL 61 HG21 VAL 61 12.800 -14.572 -4.492 451 HG22 VAL 61 HG22 VAL 61 13.868 -15.968 -4.573 452 HG23 VAL 61 HG23 VAL 61 14.504 -14.316 -4.850 453 H VAL 62 H VAL 62 14.543 -13.058 -9.134 454 HA VAL 62 HA VAL 62 12.567 -14.042 -11.187 455 HB VAL 62 HB VAL 62 14.492 -11.683 -11.403 456 HG11 VAL 62 HG11 VAL 62 13.368 -11.249 -13.550 457 HG12 VAL 62 HG12 VAL 62 14.183 -12.833 -13.569 458 HG13 VAL 62 HG13 VAL 62 12.443 -12.736 -13.386 459 HG21 VAL 62 HG21 VAL 62 12.389 -10.313 -11.541 460 HG22 VAL 62 HG22 VAL 62 11.447 -11.782 -11.169 461 HG23 VAL 62 HG23 VAL 62 12.564 -11.084 -10.001 462 H THR 63 H THR 63 13.395 -15.565 -12.577 463 HA THR 63 HA THR 63 16.343 -15.991 -12.442 464 HB THR 63 HB THR 63 14.195 -18.110 -12.889 465 HG1 THR 63 HG1 THR 63 14.456 -18.565 -10.777 466 HG21 THR 63 HG21 THR 63 16.076 -19.660 -12.317 467 HG22 THR 63 HG22 THR 63 17.194 -18.274 -12.467 468 HG23 THR 63 HG23 THR 63 16.254 -18.812 -13.907 469 HA PRO 64 HA PRO 64 16.012 -14.945 -16.780 470 HB2 PRO 64 HB2 PRO 64 18.627 -15.307 -17.529 471 HB3 PRO 64 HB3 PRO 64 18.144 -13.969 -16.446 472 HG2 PRO 64 HG2 PRO 64 19.253 -16.641 -15.688 473 HG3 PRO 64 HG3 PRO 64 19.818 -14.995 -15.238 474 HD2 PRO 64 HD2 PRO 64 18.178 -16.399 -13.580 475 HD3 PRO 64 HD3 PRO 64 18.000 -14.626 -13.785 476 H ALA 65 H ALA 65 16.174 -16.143 -18.873 477 HA ALA 65 HA ALA 65 16.235 -19.118 -18.483 478 HB1 ALA 65 HB1 ALA 65 14.038 -18.053 -19.084 479 HB2 ALA 65 HB2 ALA 65 14.793 -17.632 -20.658 480 HB3 ALA 65 HB3 ALA 65 14.621 -19.351 -20.168 481 H ALA 66 H ALA 66 18.112 -16.725 -19.519 482 HA ALA 66 HA ALA 66 19.565 -18.445 -21.414 483 HB1 ALA 66 HB1 ALA 66 17.997 -16.973 -22.844 484 HB2 ALA 66 HB2 ALA 66 18.793 -15.573 -22.182 485 HB3 ALA 66 HB3 ALA 66 19.692 -16.716 -23.167 486 HA PRO 67 HA PRO 67 22.673 -16.619 -18.963 487 HB2 PRO 67 HB2 PRO 67 24.981 -16.801 -20.443 488 HB3 PRO 67 HB3 PRO 67 24.149 -18.249 -19.789 489 HG2 PRO 67 HG2 PRO 67 23.922 -16.992 -22.541 490 HG3 PRO 67 HG3 PRO 67 24.295 -18.671 -22.125 491 HD2 PRO 67 HD2 PRO 67 21.786 -17.890 -22.800 492 HD3 PRO 67 HD3 PRO 67 22.065 -19.085 -21.456 493 H LEU 68 H LEU 68 23.769 -14.647 -18.546 494 HA LEU 68 HA LEU 68 23.085 -12.497 -20.511 495 HB2 LEU 68 HB2 LEU 68 24.146 -12.341 -17.643 496 HB3 LEU 68 HB3 LEU 68 23.607 -10.983 -18.612 497 HG LEU 68 HG LEU 68 21.788 -13.218 -17.575 498 HD11 LEU 68 HD11 LEU 68 20.916 -11.488 -16.102 499 HD12 LEU 68 HD12 LEU 68 22.136 -10.364 -16.663 500 HD13 LEU 68 HD13 LEU 68 22.621 -11.819 -15.771 501 HD21 LEU 68 HD21 LEU 68 19.931 -11.874 -18.220 502 HD22 LEU 68 HD22 LEU 68 20.927 -12.165 -19.666 503 HD23 LEU 68 HD23 LEU 68 21.001 -10.621 -18.863 504 H ALA 69 H ALA 69 24.620 -11.524 -21.734 505 HA ALA 69 HA ALA 69 27.456 -12.365 -21.390 506 HB1 ALA 69 HB1 ALA 69 26.288 -12.356 -23.705 507 HB2 ALA 69 HB2 ALA 69 26.220 -10.617 -23.580 508 HB3 ALA 69 HB3 ALA 69 27.780 -11.420 -23.629 509 H ALA 70 H ALA 70 29.084 -10.366 -21.492 510 HA ALA 70 HA ALA 70 28.392 -8.405 -19.530 511 HB1 ALA 70 HB1 ALA 70 30.515 -7.365 -20.097 512 HB2 ALA 70 HB2 ALA 70 30.735 -9.102 -20.149 513 HB3 ALA 70 HB3 ALA 70 30.569 -8.209 -21.675 514 H GLY 71 H GLY 71 27.709 -6.246 -19.749 515 HA2 GLY 71 HA2 GLY 71 27.559 -4.497 -21.758 516 HA3 GLY 71 HA3 GLY 71 26.347 -5.685 -22.307 517 H ASN 72 H ASN 72 25.183 -3.446 -22.120 518 HA ASN 72 HA ASN 72 24.303 -2.810 -19.375 519 HB2 ASN 72 HB2 ASN 72 24.821 -1.056 -21.099 520 HB3 ASN 72 HB3 ASN 72 23.450 -1.620 -22.003 521 HD21 ASN 72 HD21 ASN 72 24.496 0.246 -19.366 522 HD22 ASN 72 HD22 ASN 72 22.921 0.903 -18.950 523 H TYR 73 H TYR 73 22.461 -3.303 -18.417 524 HA TYR 73 HA TYR 73 20.313 -4.574 -20.092 525 HB2 TYR 73 HB2 TYR 73 21.404 -5.417 -17.326 526 HB3 TYR 73 HB3 TYR 73 19.916 -6.022 -18.079 527 HD1 TYR 73 HD1 TYR 73 19.822 -7.669 -19.759 528 HD2 TYR 73 HD2 TYR 73 23.596 -6.009 -18.622 529 HE1 TYR 73 HE1 TYR 73 21.003 -9.424 -21.064 530 HE2 TYR 73 HE2 TYR 73 24.777 -7.761 -19.986 531 HH TYR 73 HH TYR 73 24.578 -9.560 -21.169 532 H LYS 74 H LYS 74 18.227 -4.380 -19.242 533 HA LYS 74 HA LYS 74 17.871 -2.105 -17.352 534 HB2 LYS 74 HB2 LYS 74 17.741 -1.497 -19.809 535 HB3 LYS 74 HB3 LYS 74 16.422 -2.673 -20.005 536 HG2 LYS 74 HG2 LYS 74 15.513 -0.529 -19.983 537 HG3 LYS 74 HG3 LYS 74 15.080 -1.212 -18.415 538 HD2 LYS 74 HD2 LYS 74 16.960 0.128 -17.410 539 HD3 LYS 74 HD3 LYS 74 17.381 0.725 -19.031 540 HE2 LYS 74 HE2 LYS 74 16.054 2.427 -17.999 541 HE3 LYS 74 HE3 LYS 74 15.147 1.658 -19.300 542 HZ1 LYS 74 HZ1 LYS 74 14.236 0.205 -17.421 543 HZ2 LYS 74 HZ2 LYS 74 13.638 1.737 -17.627 544 HZ3 LYS 74 HZ3 LYS 74 14.754 1.429 -16.445 545 H VAL 75 H VAL 75 16.289 -2.479 -15.811 546 HA VAL 75 HA VAL 75 14.565 -4.867 -16.184 547 HB VAL 75 HB VAL 75 15.571 -3.599 -13.568 548 HG11 VAL 75 HG11 VAL 75 13.343 -4.578 -13.180 549 HG12 VAL 75 HG12 VAL 75 13.758 -6.041 -14.060 550 HG13 VAL 75 HG13 VAL 75 14.495 -5.685 -12.517 551 HG21 VAL 75 HG21 VAL 75 16.830 -5.742 -13.308 552 HG22 VAL 75 HG22 VAL 75 16.277 -6.253 -14.915 553 HG23 VAL 75 HG23 VAL 75 17.329 -4.832 -14.724 554 H VAL 76 H VAL 76 12.430 -4.446 -16.290 555 HA VAL 76 HA VAL 76 11.409 -1.908 -15.033 556 HB VAL 76 HB VAL 76 10.432 -3.181 -17.625 557 HG11 VAL 76 HG11 VAL 76 8.920 -1.164 -17.681 558 HG12 VAL 76 HG12 VAL 76 8.542 -2.269 -16.326 559 HG13 VAL 76 HG13 VAL 76 9.443 -0.758 -16.029 560 HG21 VAL 76 HG21 VAL 76 12.551 -1.904 -17.836 561 HG22 VAL 76 HG22 VAL 76 11.176 -1.183 -18.703 562 HG23 VAL 76 HG23 VAL 76 11.713 -0.475 -17.144 563 H TRP 77 H TRP 77 9.716 -2.346 -13.493 564 HA TRP 77 HA TRP 77 8.533 -5.030 -13.646 565 HB2 TRP 77 HB2 TRP 77 8.967 -5.354 -11.175 566 HB3 TRP 77 HB3 TRP 77 10.432 -5.298 -12.131 567 HD1 TRP 77 HD1 TRP 77 12.112 -3.255 -11.712 568 HE1 TRP 77 HE1 TRP 77 12.343 -1.353 -10.044 569 HE3 TRP 77 HE3 TRP 77 7.581 -3.755 -9.533 570 HZ2 TRP 77 HZ2 TRP 77 10.680 -0.139 -8.073 571 HZ3 TRP 77 HZ3 TRP 77 6.927 -2.142 -7.665 572 HH2 TRP 77 HH2 TRP 77 8.433 -0.302 -7.051 573 H ASN 78 H ASN 78 6.642 -5.457 -12.639 574 HA ASN 78 HA ASN 78 5.086 -3.126 -11.574 575 HB2 ASN 78 HB2 ASN 78 4.175 -5.474 -13.289 576 HB3 ASN 78 HB3 ASN 78 3.091 -4.240 -12.600 577 HD21 ASN 78 HD21 ASN 78 4.340 -5.128 -15.407 578 HD22 ASN 78 HD22 ASN 78 4.448 -3.551 -16.187 579 H ALA 79 H ALA 79 4.558 -3.545 -9.415 580 HA ALA 79 HA ALA 79 4.533 -6.438 -8.565 581 HB1 ALA 79 HB1 ALA 79 5.649 -4.046 -7.103 582 HB2 ALA 79 HB2 ALA 79 5.441 -5.659 -6.369 583 HB3 ALA 79 HB3 ALA 79 6.576 -5.423 -7.743 584 H VAL 80 H VAL 80 2.932 -6.984 -7.057 585 HA VAL 80 HA VAL 80 1.002 -4.827 -6.440 586 HB VAL 80 HB VAL 80 0.341 -7.742 -7.242 587 HG11 VAL 80 HG11 VAL 80 -2.052 -6.931 -7.247 588 HG12 VAL 80 HG12 VAL 80 -1.281 -6.947 -5.631 589 HG13 VAL 80 HG13 VAL 80 -1.476 -5.414 -6.462 590 HG21 VAL 80 HG21 VAL 80 0.906 -6.617 -9.297 591 HG22 VAL 80 HG22 VAL 80 -0.843 -6.441 -9.184 592 HG23 VAL 80 HG23 VAL 80 0.185 -5.088 -8.779 593 H SER 81 H SER 81 0.538 -4.731 -4.294 594 HA SER 81 HA SER 81 2.049 -6.489 -2.583 595 HB2 SER 81 HB2 SER 81 1.218 -5.163 -0.791 596 HB3 SER 81 HB3 SER 81 1.753 -4.100 -2.065 597 HG SER 81 HG SER 81 -0.208 -3.480 -1.178 598 H VAL 82 H VAL 82 1.020 -7.571 -0.619 599 HA VAL 82 HA VAL 82 -1.182 -9.255 -1.511 600 HB VAL 82 HB VAL 82 -1.139 -10.220 0.786 601 HG11 VAL 82 HG11 VAL 82 1.225 -10.980 0.864 602 HG12 VAL 82 HG12 VAL 82 0.508 -11.145 -0.736 603 HG13 VAL 82 HG13 VAL 82 1.651 -9.784 -0.420 604 HG21 VAL 82 HG21 VAL 82 1.047 -8.162 1.416 605 HG22 VAL 82 HG22 VAL 82 -0.654 -7.967 1.862 606 HG23 VAL 82 HG23 VAL 82 0.276 -9.320 2.495 607 H ASP 83 H ASP 83 -0.998 -6.171 -0.309 608 HA ASP 83 HA ASP 83 -3.712 -6.152 0.813 609 HB2 ASP 83 HB2 ASP 83 -1.626 -5.070 1.903 610 HB3 ASP 83 HB3 ASP 83 -1.824 -3.868 0.627 611 H THR 84 H THR 84 -2.931 -6.543 -2.073 612 HA THR 84 HA THR 84 -3.542 -6.042 -4.145 613 HB THR 84 HB THR 84 -5.703 -5.064 -4.644 614 HG1 THR 84 HG1 THR 84 -5.329 -3.958 -2.070 615 HG21 THR 84 HG21 THR 84 -5.989 -6.628 -2.024 616 HG22 THR 84 HG22 THR 84 -5.507 -7.401 -3.562 617 HG23 THR 84 HG23 THR 84 -7.096 -6.602 -3.420 618 H HIS 85 H HIS 85 -2.293 -3.429 -2.488 619 HA HIS 85 HA HIS 85 -2.810 -1.238 -4.343 620 HB2 HIS 85 HB2 HIS 85 -1.876 -0.832 -2.079 621 HB3 HIS 85 HB3 HIS 85 -0.396 -1.774 -2.544 622 HD1 HIS 85 HD1 HIS 85 -2.098 1.565 -3.358 623 HD2 HIS 85 HD2 HIS 85 1.532 -0.432 -3.893 624 HE1 HIS 85 HE1 HIS 85 -0.409 3.271 -4.156 625 H LYS 86 H LYS 86 -1.729 -0.684 -6.237 626 HA LYS 86 HA LYS 86 0.287 -2.667 -7.180 627 HB2 LYS 86 HB2 LYS 86 -1.464 -0.857 -8.795 628 HB3 LYS 86 HB3 LYS 86 -0.284 -2.047 -9.407 629 HG2 LYS 86 HG2 LYS 86 -1.578 -3.847 -8.162 630 HG3 LYS 86 HG3 LYS 86 -2.849 -2.654 -7.834 631 HD2 LYS 86 HD2 LYS 86 -1.882 -3.522 -10.629 632 HD3 LYS 86 HD3 LYS 86 -3.312 -4.148 -9.774 633 HE2 LYS 86 HE2 LYS 86 -4.279 -1.926 -9.759 634 HE3 LYS 86 HE3 LYS 86 -2.887 -1.294 -10.664 635 HZ1 LYS 86 HZ1 LYS 86 -3.409 -2.831 -12.394 636 HZ2 LYS 86 HZ2 LYS 86 -4.745 -1.950 -12.087 637 HZ3 LYS 86 HZ3 LYS 86 -4.635 -3.491 -11.567 638 H SER 87 H SER 87 2.229 -2.017 -8.152 639 HA SER 87 HA SER 87 2.859 0.867 -8.133 640 HB2 SER 87 HB2 SER 87 3.297 0.148 -5.816 641 HB3 SER 87 HB3 SER 87 4.256 -1.229 -6.413 642 HG SER 87 HG SER 87 5.559 0.579 -5.737 643 H ASN 88 H ASN 88 4.738 1.360 -9.443 644 HA ASN 88 HA ASN 88 5.864 -0.953 -10.916 645 HB2 ASN 88 HB2 ASN 88 5.678 0.212 -13.041 646 HB3 ASN 88 HB3 ASN 88 4.088 0.024 -12.320 647 HD21 ASN 88 HD21 ASN 88 5.882 2.062 -14.089 648 HD22 ASN 88 HD22 ASN 88 5.251 3.586 -13.514 649 H GLY 89 H GLY 89 7.917 -0.426 -12.101 650 HA2 GLY 89 HA2 GLY 89 9.187 2.098 -11.651 651 HA3 GLY 89 HA3 GLY 89 9.704 0.953 -10.425 652 H GLU 90 H GLU 90 11.732 1.801 -11.818 653 HA GLU 90 HA GLU 90 12.491 -0.525 -13.447 654 HB2 GLU 90 HB2 GLU 90 13.023 0.772 -15.421 655 HB3 GLU 90 HB3 GLU 90 11.317 1.015 -15.018 656 HG2 GLU 90 HG2 GLU 90 11.830 3.230 -14.073 657 HG3 GLU 90 HG3 GLU 90 13.551 3.003 -14.517 658 H TYR 91 H TYR 91 14.793 -0.602 -13.861 659 HA TYR 91 HA TYR 91 16.506 1.594 -13.083 660 HB2 TYR 91 HB2 TYR 91 17.838 0.355 -11.455 661 HB3 TYR 91 HB3 TYR 91 16.201 0.581 -10.869 662 HD1 TYR 91 HD1 TYR 91 14.736 -1.336 -10.462 663 HD2 TYR 91 HD2 TYR 91 18.652 -1.847 -12.085 664 HE1 TYR 91 HE1 TYR 91 14.671 -3.820 -9.887 665 HE2 TYR 91 HE2 TYR 91 18.592 -4.279 -11.466 666 HH TYR 91 HH TYR 91 17.539 -5.894 -10.352 667 H SER 92 H SER 92 18.834 1.051 -13.641 668 HA SER 92 HA SER 92 18.981 -1.150 -15.672 669 HB2 SER 92 HB2 SER 92 20.363 0.332 -17.074 670 HB3 SER 92 HB3 SER 92 18.805 1.119 -16.757 671 HG SER 92 HG SER 92 19.841 2.324 -15.104 672 H PHE 93 H PHE 93 21.158 -2.008 -16.006 673 HA PHE 93 HA PHE 93 23.240 -1.246 -14.113 674 HB2 PHE 93 HB2 PHE 93 23.373 -3.303 -12.855 675 HB3 PHE 93 HB3 PHE 93 21.701 -2.720 -12.725 676 HD1 PHE 93 HD1 PHE 93 19.877 -3.936 -13.810 677 HD2 PHE 93 HD2 PHE 93 23.923 -5.351 -14.086 678 HE1 PHE 93 HE1 PHE 93 19.068 -6.202 -14.638 679 HE2 PHE 93 HE2 PHE 93 23.124 -7.538 -14.932 680 HZ PHE 93 HZ PHE 93 20.733 -7.971 -15.186 681 H LYS 94 H LYS 94 25.273 -2.689 -14.432 682 HA LYS 94 HA LYS 94 25.267 -3.649 -17.257 683 HB2 LYS 94 HB2 LYS 94 26.503 -1.505 -16.830 684 HB3 LYS 94 HB3 LYS 94 27.530 -2.400 -15.692 685 HG2 LYS 94 HG2 LYS 94 28.326 -3.833 -17.545 686 HG3 LYS 94 HG3 LYS 94 27.301 -2.898 -18.690 687 HD2 LYS 94 HD2 LYS 94 28.474 -0.809 -17.994 688 HD3 LYS 94 HD3 LYS 94 29.543 -1.780 -16.933 689 HE2 LYS 94 HE2 LYS 94 30.396 -3.016 -19.005 690 HE3 LYS 94 HE3 LYS 94 29.388 -1.949 -20.020 691 HZ1 LYS 94 HZ1 LYS 94 31.651 -1.152 -19.793 692 HZ2 LYS 94 HZ2 LYS 94 31.452 -1.036 -18.144 693 HZ3 LYS 94 HZ3 LYS 94 30.544 -0.055 -19.140 694 H VAL 95 H VAL 95 25.976 -5.657 -17.682 695 HA VAL 95 HA VAL 95 27.077 -7.249 -15.409 696 HB VAL 95 HB VAL 95 26.377 -8.076 -18.252 697 HG11 VAL 95 HG11 VAL 95 28.205 -9.518 -17.449 698 HG12 VAL 95 HG12 VAL 95 27.336 -9.797 -15.937 699 HG13 VAL 95 HG13 VAL 95 26.661 -10.403 -17.467 700 HG21 VAL 95 HG21 VAL 95 24.528 -9.283 -17.217 701 HG22 VAL 95 HG22 VAL 95 25.001 -8.663 -15.601 702 HG23 VAL 95 HG23 VAL 95 24.438 -7.552 -16.825 703 H GLY 96 H GLY 96 29.174 -7.731 -15.214 704 HA2 GLY 96 HA2 GLY 96 31.082 -7.904 -17.287 705 HA3 GLY 96 HA3 GLY 96 31.201 -6.311 -16.491 706 H GLN 97 H GLN 97 32.329 -9.465 -16.285 707 HA GLN 97 HA GLN 97 32.048 -9.953 -13.457 708 HB2 GLN 97 HB2 GLN 97 32.532 -11.682 -15.303 709 HB3 GLN 97 HB3 GLN 97 34.212 -11.075 -15.290 710 HG2 GLN 97 HG2 GLN 97 34.370 -11.749 -12.916 711 HG3 GLN 97 HG3 GLN 97 32.690 -12.285 -12.939 712 HE21 GLN 97 HE21 GLN 97 35.684 -13.321 -12.882 713 HE22 GLN 97 HE22 GLN 97 35.562 -14.777 -13.796 Start of MODEL 8 1 H1 HIS 1 H1 HIS 1 3.238 -0.013 2.093 2 H2 HIS 1 H2 HIS 1 4.167 1.289 1.680 3 H3 HIS 1 H3 HIS 1 2.519 1.418 1.762 4 HA HIS 1 HA HIS 1 2.424 -0.365 -0.020 5 HB2 HIS 1 HB2 HIS 1 3.577 2.420 -0.633 6 HB3 HIS 1 HB3 HIS 1 2.861 1.323 -1.841 7 HD1 HIS 1 HD1 HIS 1 1.965 3.573 1.122 8 HD2 HIS 1 HD2 HIS 1 0.110 1.264 -1.841 9 HE1 HIS 1 HE1 HIS 1 -0.476 4.172 1.126 10 H ALA 2 H ALA 2 3.716 -1.054 -1.973 11 HA ALA 2 HA ALA 2 6.260 -2.072 -0.985 12 HB1 ALA 2 HB1 ALA 2 6.386 -3.237 -3.128 13 HB2 ALA 2 HB2 ALA 2 4.761 -3.394 -2.453 14 HB3 ALA 2 HB3 ALA 2 5.055 -2.255 -3.793 15 H HIS 3 H HIS 3 8.037 -0.794 -0.842 16 HA HIS 3 HA HIS 3 8.829 0.746 -3.275 17 HB2 HIS 3 HB2 HIS 3 9.225 1.570 -0.358 18 HB3 HIS 3 HB3 HIS 3 9.945 2.386 -1.812 19 HD1 HIS 3 HD1 HIS 3 8.077 3.449 -3.544 20 HD2 HIS 3 HD2 HIS 3 6.773 2.468 0.311 21 HE1 HIS 3 HE1 HIS 3 5.846 4.609 -3.159 22 H LEU 4 H LEU 4 11.141 0.477 -3.713 23 HA LEU 4 HA LEU 4 12.192 -2.053 -2.747 24 HB2 LEU 4 HB2 LEU 4 12.487 -1.188 -5.109 25 HB3 LEU 4 HB3 LEU 4 13.457 0.117 -4.435 26 HG LEU 4 HG LEU 4 15.105 -1.615 -3.703 27 HD11 LEU 4 HD11 LEU 4 14.893 -3.885 -4.712 28 HD12 LEU 4 HD12 LEU 4 13.238 -3.484 -5.174 29 HD13 LEU 4 HD13 LEU 4 13.692 -3.558 -3.460 30 HD21 LEU 4 HD21 LEU 4 14.316 -1.713 -6.639 31 HD22 LEU 4 HD22 LEU 4 15.944 -2.126 -5.940 32 HD23 LEU 4 HD23 LEU 4 15.325 -0.473 -5.870 33 H LYS 5 H LYS 5 13.562 -2.381 -1.023 34 HA LYS 5 HA LYS 5 14.971 0.039 0.024 35 HB2 LYS 5 HB2 LYS 5 14.314 -2.572 1.457 36 HB3 LYS 5 HB3 LYS 5 15.203 -1.196 2.165 37 HG2 LYS 5 HG2 LYS 5 13.114 0.190 1.769 38 HG3 LYS 5 HG3 LYS 5 12.272 -1.316 1.322 39 HD2 LYS 5 HD2 LYS 5 13.686 -0.864 3.995 40 HD3 LYS 5 HD3 LYS 5 11.945 -0.726 3.725 41 HE2 LYS 5 HE2 LYS 5 11.903 -3.154 3.035 42 HE3 LYS 5 HE3 LYS 5 13.628 -3.236 3.412 43 HZ1 LYS 5 HZ1 LYS 5 11.546 -2.503 5.361 44 HZ2 LYS 5 HZ2 LYS 5 13.148 -2.693 5.663 45 HZ3 LYS 5 HZ3 LYS 5 12.225 -4.008 5.244 46 H SER 6 H SER 6 15.444 -3.192 -1.235 47 HA SER 6 HA SER 6 18.332 -2.799 -1.225 48 HB2 SER 6 HB2 SER 6 17.991 -3.698 1.032 49 HB3 SER 6 HB3 SER 6 17.077 -5.075 0.316 50 HG SER 6 HG SER 6 19.362 -5.343 0.827 51 H ALA 7 H ALA 7 19.359 -4.302 -2.677 52 HA ALA 7 HA ALA 7 17.673 -6.168 -4.192 53 HB1 ALA 7 HB1 ALA 7 18.934 -3.744 -5.605 54 HB2 ALA 7 HB2 ALA 7 17.900 -4.976 -6.343 55 HB3 ALA 7 HB3 ALA 7 17.236 -3.878 -5.175 56 H THR 8 H THR 8 18.717 -7.286 -5.898 57 HA THR 8 HA THR 8 21.550 -7.992 -5.466 58 HB THR 8 HB THR 8 19.397 -8.987 -7.464 59 HG1 THR 8 HG1 THR 8 20.198 -10.147 -4.995 60 HG21 THR 8 HG21 THR 8 21.990 -10.205 -6.552 61 HG22 THR 8 HG22 THR 8 21.469 -9.841 -8.219 62 HG23 THR 8 HG23 THR 8 20.660 -11.138 -7.323 63 HA PRO 9 HA PRO 9 23.696 -5.377 -8.514 64 HB2 PRO 9 HB2 PRO 9 22.232 -6.793 -10.724 65 HB3 PRO 9 HB3 PRO 9 23.947 -6.276 -10.529 66 HG2 PRO 9 HG2 PRO 9 22.700 -8.880 -9.498 67 HG3 PRO 9 HG3 PRO 9 24.429 -8.526 -9.560 68 HD2 PRO 9 HD2 PRO 9 23.144 -8.609 -7.187 69 HD3 PRO 9 HD3 PRO 9 24.324 -7.300 -7.464 70 H ALA 10 H ALA 10 22.642 -3.924 -7.373 71 HA ALA 10 HA ALA 10 20.240 -2.663 -8.027 72 HB1 ALA 10 HB1 ALA 10 22.648 -1.719 -6.507 73 HB2 ALA 10 HB2 ALA 10 21.097 -0.872 -6.596 74 HB3 ALA 10 HB3 ALA 10 21.173 -2.436 -5.851 75 H ALA 11 H ALA 11 20.130 -0.297 -8.636 76 HA ALA 11 HA ALA 11 21.058 -0.045 -11.224 77 HB1 ALA 11 HB1 ALA 11 19.185 1.220 -10.234 78 HB2 ALA 11 HB2 ALA 11 20.337 2.135 -9.284 79 HB3 ALA 11 HB3 ALA 11 20.305 2.317 -11.046 80 H ASP 12 H ASP 12 22.585 0.953 -12.262 81 HA ASP 12 HA ASP 12 24.579 1.774 -12.871 82 HB2 ASP 12 HB2 ASP 12 24.735 3.019 -10.129 83 HB3 ASP 12 HB3 ASP 12 25.744 3.458 -11.510 84 H SER 13 H SER 13 24.436 -0.766 -10.835 85 HA SER 13 HA SER 13 27.248 -0.812 -10.009 86 HB2 SER 13 HB2 SER 13 26.773 -2.978 -9.042 87 HB3 SER 13 HB3 SER 13 25.501 -1.836 -8.565 88 HG SER 13 HG SER 13 24.120 -2.809 -9.969 89 H THR 14 H THR 14 28.802 -2.547 -10.568 90 HA THR 14 HA THR 14 28.260 -3.719 -13.265 91 HB THR 14 HB THR 14 30.993 -3.076 -12.177 92 HG1 THR 14 HG1 THR 14 29.294 -1.669 -13.973 93 HG21 THR 14 HG21 THR 14 30.065 -4.022 -14.905 94 HG22 THR 14 HG22 THR 14 30.957 -4.970 -13.694 95 HG23 THR 14 HG23 THR 14 31.715 -3.568 -14.447 96 H VAL 15 H VAL 15 27.877 -5.915 -12.990 97 HA VAL 15 HA VAL 15 29.432 -7.325 -10.856 98 HB VAL 15 HB VAL 15 27.395 -8.656 -10.446 99 HG11 VAL 15 HG11 VAL 15 26.164 -6.957 -9.196 100 HG12 VAL 15 HG12 VAL 15 27.870 -6.513 -9.166 101 HG13 VAL 15 HG13 VAL 15 26.767 -5.656 -10.222 102 HG21 VAL 15 HG21 VAL 15 25.260 -8.131 -11.506 103 HG22 VAL 15 HG22 VAL 15 25.914 -6.662 -12.294 104 HG23 VAL 15 HG23 VAL 15 26.389 -8.273 -12.839 105 H ALA 16 H ALA 16 29.508 -9.722 -11.091 106 HA ALA 16 HA ALA 16 29.912 -10.623 -13.865 107 HB1 ALA 16 HB1 ALA 16 30.173 -12.835 -12.790 108 HB2 ALA 16 HB2 ALA 16 31.230 -11.660 -12.019 109 HB3 ALA 16 HB3 ALA 16 29.695 -12.157 -11.234 110 H ALA 17 H ALA 17 28.238 -12.337 -14.842 111 HA ALA 17 HA ALA 17 25.609 -11.285 -14.416 112 HB1 ALA 17 HB1 ALA 17 26.234 -12.443 -16.503 113 HB2 ALA 17 HB2 ALA 17 26.442 -13.957 -15.624 114 HB3 ALA 17 HB3 ALA 17 24.831 -13.215 -15.737 115 HA PRO 18 HA PRO 18 24.778 -13.472 -10.650 116 HB2 PRO 18 HB2 PRO 18 22.256 -12.673 -10.181 117 HB3 PRO 18 HB3 PRO 18 23.629 -11.544 -10.067 118 HG2 PRO 18 HG2 PRO 18 21.752 -12.090 -12.339 119 HG3 PRO 18 HG3 PRO 18 22.144 -10.502 -11.622 120 HD2 PRO 18 HD2 PRO 18 23.346 -11.356 -13.846 121 HD3 PRO 18 HD3 PRO 18 24.252 -10.443 -12.607 122 H ALA 19 H ALA 19 23.530 -15.351 -9.785 123 HA ALA 19 HA ALA 19 22.597 -17.099 -11.907 124 HB1 ALA 19 HB1 ALA 19 22.090 -18.676 -10.107 125 HB2 ALA 19 HB2 ALA 19 23.604 -17.853 -9.652 126 HB3 ALA 19 HB3 ALA 19 22.057 -17.397 -8.880 127 H ASP 20 H ASP 20 21.113 -14.923 -9.548 128 HA ASP 20 HA ASP 20 18.559 -14.882 -11.045 129 HB2 ASP 20 HB2 ASP 20 17.200 -15.330 -9.061 130 HB3 ASP 20 HB3 ASP 20 18.262 -16.703 -9.327 131 H LEU 21 H LEU 21 17.234 -12.921 -10.323 132 HA LEU 21 HA LEU 21 18.982 -10.869 -8.945 133 HB2 LEU 21 HB2 LEU 21 16.763 -10.397 -10.955 134 HB3 LEU 21 HB3 LEU 21 17.665 -9.179 -10.081 135 HG LEU 21 HG LEU 21 19.729 -9.802 -11.326 136 HD11 LEU 21 HD11 LEU 21 17.824 -11.587 -12.868 137 HD12 LEU 21 HD12 LEU 21 19.347 -12.042 -12.083 138 HD13 LEU 21 HD13 LEU 21 19.379 -11.037 -13.498 139 HD21 LEU 21 HD21 LEU 21 18.222 -7.915 -11.953 140 HD22 LEU 21 HD22 LEU 21 17.348 -9.074 -13.056 141 HD23 LEU 21 HD23 LEU 21 19.057 -8.674 -13.343 142 H ARG 22 H ARG 22 18.037 -10.055 -7.021 143 HA ARG 22 HA ARG 22 15.236 -10.903 -6.447 144 HB2 ARG 22 HB2 ARG 22 17.580 -10.634 -4.556 145 HB3 ARG 22 HB3 ARG 22 15.922 -11.090 -4.083 146 HG2 ARG 22 HG2 ARG 22 16.100 -13.117 -5.521 147 HG3 ARG 22 HG3 ARG 22 17.824 -12.660 -5.888 148 HD2 ARG 22 HD2 ARG 22 18.306 -12.668 -3.481 149 HD3 ARG 22 HD3 ARG 22 16.612 -13.269 -3.161 150 HE ARG 22 HE ARG 22 17.884 -14.957 -5.066 151 HH11 ARG 22 HH11 ARG 22 18.240 -14.126 -1.648 152 HH12 ARG 22 HH12 ARG 22 18.956 -15.685 -1.258 153 HH21 ARG 22 HH21 ARG 22 18.623 -16.954 -4.421 154 HH22 ARG 22 HH22 ARG 22 19.086 -17.293 -2.770 155 H LEU 23 H LEU 23 13.900 -9.389 -5.549 156 HA LEU 23 HA LEU 23 15.084 -6.692 -5.006 157 HB2 LEU 23 HB2 LEU 23 12.372 -7.389 -6.246 158 HB3 LEU 23 HB3 LEU 23 12.857 -5.777 -5.785 159 HG LEU 23 HG LEU 23 14.224 -7.435 -7.920 160 HD11 LEU 23 HD11 LEU 23 11.974 -6.799 -8.576 161 HD12 LEU 23 HD12 LEU 23 13.203 -5.878 -9.514 162 HD13 LEU 23 HD13 LEU 23 12.342 -5.091 -8.161 163 HD21 LEU 23 HD21 LEU 23 15.709 -5.782 -6.813 164 HD22 LEU 23 HD22 LEU 23 14.557 -4.527 -7.227 165 HD23 LEU 23 HD23 LEU 23 15.397 -5.412 -8.477 166 H THR 24 H THR 24 14.478 -5.859 -2.915 167 HA THR 24 HA THR 24 12.525 -7.512 -1.333 168 HB THR 24 HB THR 24 14.942 -5.990 -0.278 169 HG1 THR 24 HG1 THR 24 14.445 -8.746 -0.820 170 HG21 THR 24 HG21 THR 24 13.147 -6.047 1.334 171 HG22 THR 24 HG22 THR 24 14.414 -7.227 1.785 172 HG23 THR 24 HG23 THR 24 12.893 -7.805 1.061 173 H PHE 25 H PHE 25 10.759 -6.480 -0.684 174 HA PHE 25 HA PHE 25 10.759 -3.483 -0.870 175 HB2 PHE 25 HB2 PHE 25 8.456 -5.465 -1.268 176 HB3 PHE 25 HB3 PHE 25 8.375 -3.711 -1.449 177 HD1 PHE 25 HD1 PHE 25 9.257 -6.875 -3.021 178 HD2 PHE 25 HD2 PHE 25 9.568 -2.601 -3.356 179 HE1 PHE 25 HE1 PHE 25 9.829 -7.115 -5.442 180 HE2 PHE 25 HE2 PHE 25 10.259 -2.826 -5.764 181 HZ PHE 25 HZ PHE 25 10.317 -5.055 -6.831 182 H SER 26 H SER 26 9.403 -2.374 0.674 183 HA SER 26 HA SER 26 9.615 -3.435 3.387 184 HB2 SER 26 HB2 SER 26 8.580 -1.374 4.032 185 HB3 SER 26 HB3 SER 26 9.848 -1.031 2.826 186 HG SER 26 HG SER 26 7.897 0.056 2.364 187 H GLU 27 H GLU 27 7.248 -3.819 0.940 188 HA GLU 27 HA GLU 27 5.179 -4.685 2.910 189 HB2 GLU 27 HB2 GLU 27 4.686 -2.454 1.825 190 HB3 GLU 27 HB3 GLU 27 4.805 -3.259 0.261 191 HG2 GLU 27 HG2 GLU 27 2.525 -3.068 0.663 192 HG3 GLU 27 HG3 GLU 27 2.901 -4.766 0.963 193 H GLY 28 H GLY 28 4.200 -6.674 2.373 194 HA2 GLY 28 HA2 GLY 28 5.831 -8.340 0.738 195 HA3 GLY 28 HA3 GLY 28 4.267 -8.793 1.430 196 H VAL 29 H VAL 29 5.333 -9.353 -1.322 197 HA VAL 29 HA VAL 29 3.202 -7.881 -2.812 198 HB VAL 29 HB VAL 29 4.630 -8.056 -4.847 199 HG11 VAL 29 HG11 VAL 29 4.680 -5.996 -3.562 200 HG12 VAL 29 HG12 VAL 29 5.965 -6.590 -2.519 201 HG13 VAL 29 HG13 VAL 29 6.326 -6.294 -4.239 202 HG21 VAL 29 HG21 VAL 29 6.980 -8.711 -4.755 203 HG22 VAL 29 HG22 VAL 29 6.937 -8.959 -3.011 204 HG23 VAL 29 HG23 VAL 29 6.006 -10.059 -4.074 205 H GLU 30 H GLU 30 2.180 -9.113 -4.509 206 HA GLU 30 HA GLU 30 2.019 -11.967 -3.771 207 HB2 GLU 30 HB2 GLU 30 0.270 -10.220 -5.505 208 HB3 GLU 30 HB3 GLU 30 -0.049 -11.936 -5.214 209 HG2 GLU 30 HG2 GLU 30 0.172 -9.929 -2.928 210 HG3 GLU 30 HG3 GLU 30 -1.351 -10.209 -3.795 211 H ALA 31 H ALA 31 3.083 -13.458 -5.043 212 HA ALA 31 HA ALA 31 4.560 -12.592 -7.312 213 HB1 ALA 31 HB1 ALA 31 3.844 -15.385 -6.323 214 HB2 ALA 31 HB2 ALA 31 5.039 -15.053 -7.609 215 HB3 ALA 31 HB3 ALA 31 5.297 -14.441 -5.974 216 H THR 32 H THR 32 1.411 -14.031 -7.104 217 HA THR 32 HA THR 32 1.142 -14.968 -9.745 218 HB THR 32 HB THR 32 -1.034 -13.944 -7.842 219 HG1 THR 32 HG1 THR 32 -1.066 -16.213 -7.250 220 HG21 THR 32 HG21 THR 32 -2.015 -14.433 -10.028 221 HG22 THR 32 HG22 THR 32 -2.394 -15.774 -8.954 222 HG23 THR 32 HG23 THR 32 -1.135 -15.944 -10.122 223 H PHE 33 H PHE 33 0.687 -11.674 -8.455 224 HA PHE 33 HA PHE 33 -0.302 -10.808 -11.120 225 HB2 PHE 33 HB2 PHE 33 -0.235 -9.275 -8.511 226 HB3 PHE 33 HB3 PHE 33 -1.003 -8.707 -10.007 227 HD1 PHE 33 HD1 PHE 33 -1.273 -10.746 -6.980 228 HD2 PHE 33 HD2 PHE 33 -3.113 -9.859 -10.769 229 HE1 PHE 33 HE1 PHE 33 -3.401 -11.745 -6.187 230 HE2 PHE 33 HE2 PHE 33 -5.205 -10.915 -10.001 231 HZ PHE 33 HZ PHE 33 -5.402 -11.824 -7.678 232 H THR 34 H THR 34 2.598 -11.091 -9.567 233 HA THR 34 HA THR 34 3.720 -8.472 -10.260 234 HB THR 34 HB THR 34 5.130 -11.080 -9.548 235 HG1 THR 34 HG1 THR 34 3.735 -10.156 -7.844 236 HG21 THR 34 HG21 THR 34 6.972 -9.601 -8.876 237 HG22 THR 34 HG22 THR 34 6.090 -8.190 -9.486 238 HG23 THR 34 HG23 THR 34 6.626 -9.479 -10.632 239 H LYS 35 H LYS 35 4.827 -7.993 -12.248 240 HA LYS 35 HA LYS 35 5.360 -10.260 -14.067 241 HB2 LYS 35 HB2 LYS 35 3.246 -9.177 -14.828 242 HB3 LYS 35 HB3 LYS 35 4.130 -7.653 -14.970 243 HG2 LYS 35 HG2 LYS 35 5.553 -8.703 -16.753 244 HG3 LYS 35 HG3 LYS 35 4.588 -10.211 -16.610 245 HD2 LYS 35 HD2 LYS 35 2.546 -8.908 -17.089 246 HD3 LYS 35 HD3 LYS 35 3.523 -7.433 -17.319 247 HE2 LYS 35 HE2 LYS 35 3.624 -10.061 -18.900 248 HE3 LYS 35 HE3 LYS 35 2.900 -8.551 -19.468 249 HZ1 LYS 35 HZ1 LYS 35 5.756 -8.892 -18.849 250 HZ2 LYS 35 HZ2 LYS 35 5.054 -7.473 -19.358 251 HZ3 LYS 35 HZ3 LYS 35 5.105 -8.791 -20.346 252 H VAL 36 H VAL 36 7.453 -10.210 -14.942 253 HA VAL 36 HA VAL 36 8.955 -7.653 -14.559 254 HB VAL 36 HB VAL 36 9.936 -10.487 -14.026 255 HG11 VAL 36 HG11 VAL 36 11.748 -9.063 -14.934 256 HG12 VAL 36 HG12 VAL 36 11.346 -7.760 -13.803 257 HG13 VAL 36 HG13 VAL 36 12.030 -9.286 -13.187 258 HG21 VAL 36 HG21 VAL 36 8.427 -9.667 -12.179 259 HG22 VAL 36 HG22 VAL 36 10.124 -9.787 -11.648 260 HG23 VAL 36 HG23 VAL 36 9.433 -8.183 -12.039 261 H SER 37 H SER 37 10.118 -6.980 -16.199 262 HA SER 37 HA SER 37 10.547 -8.729 -18.517 263 HB2 SER 37 HB2 SER 37 9.876 -5.771 -18.492 264 HB3 SER 37 HB3 SER 37 10.266 -6.743 -19.950 265 HG SER 37 HG SER 37 8.141 -7.137 -18.122 266 H LEU 38 H LEU 38 12.546 -8.565 -19.504 267 HA LEU 38 HA LEU 38 14.606 -6.849 -18.164 268 HB2 LEU 38 HB2 LEU 38 14.669 -9.199 -17.294 269 HB3 LEU 38 HB3 LEU 38 14.781 -9.772 -18.948 270 HG LEU 38 HG LEU 38 17.024 -8.780 -19.177 271 HD11 LEU 38 HD11 LEU 38 16.898 -8.381 -16.177 272 HD12 LEU 38 HD12 LEU 38 16.834 -7.054 -17.407 273 HD13 LEU 38 HD13 LEU 38 18.266 -8.084 -17.266 274 HD21 LEU 38 HD21 LEU 38 18.125 -10.476 -17.770 275 HD22 LEU 38 HD22 LEU 38 16.706 -11.109 -18.577 276 HD23 LEU 38 HD23 LEU 38 16.609 -10.701 -16.861 277 H SER 39 H SER 39 15.970 -5.855 -19.698 278 HA SER 39 HA SER 39 15.823 -7.052 -22.432 279 HB2 SER 39 HB2 SER 39 15.445 -4.080 -21.831 280 HB3 SER 39 HB3 SER 39 15.702 -4.820 -23.428 281 HG SER 39 HG SER 39 13.511 -4.623 -23.087 282 H LYS 40 H LYS 40 17.627 -6.766 -23.714 283 HA LYS 40 HA LYS 40 20.106 -5.616 -22.384 284 HB2 LYS 40 HB2 LYS 40 21.380 -7.337 -23.690 285 HB3 LYS 40 HB3 LYS 40 20.224 -8.051 -22.596 286 HG2 LYS 40 HG2 LYS 40 19.465 -9.360 -24.260 287 HG3 LYS 40 HG3 LYS 40 18.840 -7.930 -25.086 288 HD2 LYS 40 HD2 LYS 40 20.192 -9.104 -26.626 289 HD3 LYS 40 HD3 LYS 40 21.119 -7.665 -26.155 290 HE2 LYS 40 HE2 LYS 40 22.431 -9.045 -24.524 291 HE3 LYS 40 HE3 LYS 40 21.500 -10.480 -25.078 292 HZ1 LYS 40 HZ1 LYS 40 23.395 -8.842 -26.717 293 HZ2 LYS 40 HZ2 LYS 40 22.337 -9.916 -27.397 294 HZ3 LYS 40 HZ3 LYS 40 23.512 -10.441 -26.384 295 H ASP 41 H ASP 41 20.589 -3.738 -23.330 296 HA ASP 41 HA ASP 41 20.904 -2.132 -24.886 297 HB2 ASP 41 HB2 ASP 41 22.425 -3.961 -25.762 298 HB3 ASP 41 HB3 ASP 41 21.216 -4.231 -27.011 299 H GLY 42 H GLY 42 18.129 -2.918 -24.464 300 HA2 GLY 42 HA2 GLY 42 16.156 -2.030 -25.417 301 HA3 GLY 42 HA3 GLY 42 16.991 -1.804 -26.940 302 H THR 43 H THR 43 17.445 -5.047 -25.821 303 HA THR 43 HA THR 43 15.062 -5.892 -27.489 304 HB THR 43 HB THR 43 17.669 -7.480 -27.057 305 HG1 THR 43 HG1 THR 43 17.846 -5.550 -28.385 306 HG21 THR 43 HG21 THR 43 15.770 -8.910 -27.433 307 HG22 THR 43 HG22 THR 43 16.817 -8.888 -28.859 308 HG23 THR 43 HG23 THR 43 15.298 -7.951 -28.859 309 H GLU 44 H GLU 44 13.550 -7.084 -26.351 310 HA GLU 44 HA GLU 44 13.810 -7.675 -23.559 311 HB2 GLU 44 HB2 GLU 44 11.877 -8.719 -25.594 312 HB3 GLU 44 HB3 GLU 44 11.744 -8.857 -23.849 313 HG2 GLU 44 HG2 GLU 44 11.678 -6.441 -23.690 314 HG3 GLU 44 HG3 GLU 44 11.718 -6.282 -25.440 315 H VAL 45 H VAL 45 14.131 -9.368 -22.331 316 HA VAL 45 HA VAL 45 15.211 -11.853 -23.687 317 HB VAL 45 HB VAL 45 16.060 -10.461 -21.039 318 HG11 VAL 45 HG11 VAL 45 17.890 -12.241 -21.034 319 HG12 VAL 45 HG12 VAL 45 16.255 -12.859 -20.714 320 HG13 VAL 45 HG13 VAL 45 17.015 -13.086 -22.328 321 HG21 VAL 45 HG21 VAL 45 17.471 -10.736 -23.714 322 HG22 VAL 45 HG22 VAL 45 17.003 -9.254 -22.860 323 HG23 VAL 45 HG23 VAL 45 18.305 -10.316 -22.207 324 H ALA 46 H ALA 46 14.337 -13.746 -22.952 325 HA ALA 46 HA ALA 46 11.884 -13.682 -21.572 326 HB1 ALA 46 HB1 ALA 46 13.667 -16.018 -22.354 327 HB2 ALA 46 HB2 ALA 46 11.965 -16.172 -21.896 328 HB3 ALA 46 HB3 ALA 46 12.407 -15.280 -23.370 329 H ILE 47 H ILE 47 11.212 -14.600 -19.571 330 HA ILE 47 HA ILE 47 13.386 -14.868 -17.539 331 HB ILE 47 HB ILE 47 10.488 -13.977 -17.236 332 HG12 ILE 47 HG12 ILE 47 11.826 -12.212 -18.315 333 HG13 ILE 47 HG13 ILE 47 11.410 -11.761 -16.666 334 HG21 ILE 47 HG21 ILE 47 11.180 -13.348 -14.901 335 HG22 ILE 47 HG22 ILE 47 11.067 -15.087 -15.229 336 HG23 ILE 47 HG23 ILE 47 12.650 -14.286 -15.144 337 HD11 ILE 47 HD11 ILE 47 13.664 -11.074 -16.954 338 HD12 ILE 47 HD12 ILE 47 13.807 -12.597 -16.080 339 HD13 ILE 47 HD13 ILE 47 14.118 -12.527 -17.799 340 H LYS 48 H LYS 48 13.557 -16.886 -16.523 341 HA LYS 48 HA LYS 48 12.002 -19.102 -17.529 342 HB2 LYS 48 HB2 LYS 48 14.357 -19.224 -16.523 343 HB3 LYS 48 HB3 LYS 48 13.613 -18.942 -14.952 344 HG2 LYS 48 HG2 LYS 48 12.303 -21.021 -15.188 345 HG3 LYS 48 HG3 LYS 48 13.170 -21.359 -16.712 346 HD2 LYS 48 HD2 LYS 48 14.444 -20.946 -13.959 347 HD3 LYS 48 HD3 LYS 48 14.071 -22.530 -14.690 348 HE2 LYS 48 HE2 LYS 48 15.583 -21.977 -16.592 349 HE3 LYS 48 HE3 LYS 48 15.988 -20.438 -15.793 350 HZ1 LYS 48 HZ1 LYS 48 17.039 -21.626 -14.073 351 HZ2 LYS 48 HZ2 LYS 48 17.586 -22.259 -15.455 352 HZ3 LYS 48 HZ3 LYS 48 16.497 -23.086 -14.579 353 H GLY 49 H GLY 49 11.708 -17.042 -14.586 354 HA2 GLY 49 HA2 GLY 49 8.978 -17.448 -14.248 355 HA3 GLY 49 HA3 GLY 49 9.736 -18.710 -13.267 356 H LEU 50 H LEU 50 8.401 -17.122 -11.704 357 HA LEU 50 HA LEU 50 10.484 -15.562 -10.370 358 HB2 LEU 50 HB2 LEU 50 9.233 -13.564 -10.099 359 HB3 LEU 50 HB3 LEU 50 9.347 -13.885 -11.825 360 HG LEU 50 HG LEU 50 6.901 -14.338 -10.087 361 HD11 LEU 50 HD11 LEU 50 7.599 -11.995 -10.337 362 HD12 LEU 50 HD12 LEU 50 6.022 -12.370 -11.163 363 HD13 LEU 50 HD13 LEU 50 7.500 -12.187 -12.128 364 HD21 LEU 50 HD21 LEU 50 7.253 -14.565 -13.083 365 HD22 LEU 50 HD22 LEU 50 5.663 -14.400 -12.276 366 HD23 LEU 50 HD23 LEU 50 6.679 -15.803 -11.938 367 H GLU 51 H GLU 51 10.069 -15.398 -8.069 368 HA GLU 51 HA GLU 51 7.577 -16.558 -6.988 369 HB2 GLU 51 HB2 GLU 51 8.662 -18.474 -5.966 370 HB3 GLU 51 HB3 GLU 51 8.890 -18.505 -7.714 371 HG2 GLU 51 HG2 GLU 51 11.207 -17.571 -7.410 372 HG3 GLU 51 HG3 GLU 51 10.966 -17.705 -5.684 373 H THR 52 H THR 52 7.689 -16.595 -4.528 374 HA THR 52 HA THR 52 9.670 -14.621 -3.540 375 HB THR 52 HB THR 52 7.997 -13.876 -1.838 376 HG1 THR 52 HG1 THR 52 6.727 -15.897 -2.227 377 HG21 THR 52 HG21 THR 52 6.603 -12.511 -3.264 378 HG22 THR 52 HG22 THR 52 6.905 -13.602 -4.650 379 HG23 THR 52 HG23 THR 52 8.251 -12.606 -3.957 380 HA PRO 53 HA PRO 53 10.209 -18.371 -1.114 381 HB2 PRO 53 HB2 PRO 53 12.720 -17.970 -0.111 382 HB3 PRO 53 HB3 PRO 53 12.469 -18.396 -1.821 383 HG2 PRO 53 HG2 PRO 53 12.873 -15.705 -0.567 384 HG3 PRO 53 HG3 PRO 53 13.730 -16.493 -1.954 385 HD2 PRO 53 HD2 PRO 53 11.643 -14.692 -2.272 386 HD3 PRO 53 HD3 PRO 53 11.893 -16.095 -3.365 387 H ASP 54 H ASP 54 10.422 -15.049 0.067 388 HA ASP 54 HA ASP 54 10.829 -15.690 2.858 389 HB2 ASP 54 HB2 ASP 54 9.444 -13.308 1.461 390 HB3 ASP 54 HB3 ASP 54 9.761 -13.369 3.200 391 H ALA 55 H ALA 55 9.403 -15.854 4.538 392 HA ALA 55 HA ALA 55 6.789 -17.049 3.941 393 HB1 ALA 55 HB1 ALA 55 6.540 -17.020 6.388 394 HB2 ALA 55 HB2 ALA 55 8.175 -17.538 5.991 395 HB3 ALA 55 HB3 ALA 55 7.901 -15.889 6.560 396 H ASP 56 H ASP 56 8.027 -13.813 4.783 397 HA ASP 56 HA ASP 56 5.392 -12.637 5.043 398 HB2 ASP 56 HB2 ASP 56 8.214 -11.544 4.851 399 HB3 ASP 56 HB3 ASP 56 6.800 -10.501 5.113 400 H LYS 57 H LYS 57 7.228 -13.629 2.461 401 HA LYS 57 HA LYS 57 7.235 -13.308 0.205 402 HB2 LYS 57 HB2 LYS 57 4.577 -11.930 0.718 403 HB3 LYS 57 HB3 LYS 57 5.133 -12.489 -0.848 404 HG2 LYS 57 HG2 LYS 57 5.198 -14.834 0.078 405 HG3 LYS 57 HG3 LYS 57 4.563 -14.213 1.616 406 HD2 LYS 57 HD2 LYS 57 3.068 -14.041 -0.993 407 HD3 LYS 57 HD3 LYS 57 2.831 -15.300 0.230 408 HE2 LYS 57 HE2 LYS 57 2.249 -13.500 1.890 409 HE3 LYS 57 HE3 LYS 57 2.374 -12.298 0.602 410 HZ1 LYS 57 HZ1 LYS 57 0.572 -13.327 -0.537 411 HZ2 LYS 57 HZ2 LYS 57 0.070 -13.092 1.015 412 HZ3 LYS 57 HZ3 LYS 57 0.510 -14.614 0.502 413 H LYS 58 H LYS 58 8.606 -11.308 1.792 414 HA LYS 58 HA LYS 58 8.120 -8.728 0.492 415 HB2 LYS 58 HB2 LYS 58 10.159 -9.527 2.534 416 HB3 LYS 58 HB3 LYS 58 9.932 -7.904 1.888 417 HG2 LYS 58 HG2 LYS 58 7.617 -7.854 2.733 418 HG3 LYS 58 HG3 LYS 58 7.858 -9.455 3.483 419 HD2 LYS 58 HD2 LYS 58 9.741 -8.461 4.847 420 HD3 LYS 58 HD3 LYS 58 9.389 -6.872 4.122 421 HE2 LYS 58 HE2 LYS 58 7.475 -8.593 5.771 422 HE3 LYS 58 HE3 LYS 58 8.293 -7.121 6.345 423 HZ1 LYS 58 HZ1 LYS 58 7.098 -5.877 4.640 424 HZ2 LYS 58 HZ2 LYS 58 6.079 -6.623 5.710 425 HZ3 LYS 58 HZ3 LYS 58 6.297 -7.255 4.206 426 H THR 59 H THR 59 10.184 -11.375 -0.070 427 HA THR 59 HA THR 59 11.806 -9.634 -1.861 428 HB THR 59 HB THR 59 12.660 -12.262 -0.674 429 HG1 THR 59 HG1 THR 59 12.737 -10.801 0.940 430 HG21 THR 59 HG21 THR 59 14.135 -10.222 -2.346 431 HG22 THR 59 HG22 THR 59 13.761 -11.894 -2.767 432 HG23 THR 59 HG23 THR 59 14.919 -11.573 -1.498 433 H LEU 60 H LEU 60 11.615 -9.854 -3.964 434 HA LEU 60 HA LEU 60 10.140 -12.237 -5.032 435 HB2 LEU 60 HB2 LEU 60 9.146 -10.013 -5.345 436 HB3 LEU 60 HB3 LEU 60 10.595 -9.498 -6.242 437 HG LEU 60 HG LEU 60 8.687 -9.843 -7.621 438 HD11 LEU 60 HD11 LEU 60 9.649 -10.972 -9.415 439 HD12 LEU 60 HD12 LEU 60 10.611 -11.995 -8.354 440 HD13 LEU 60 HD13 LEU 60 10.989 -10.315 -8.470 441 HD21 LEU 60 HD21 LEU 60 7.585 -11.631 -6.342 442 HD22 LEU 60 HD22 LEU 60 8.770 -12.792 -6.865 443 HD23 LEU 60 HD23 LEU 60 7.712 -12.041 -8.051 444 H VAL 61 H VAL 61 11.269 -13.707 -6.200 445 HA VAL 61 HA VAL 61 14.098 -13.093 -6.970 446 HB VAL 61 HB VAL 61 12.512 -15.735 -6.819 447 HG11 VAL 61 HG11 VAL 61 15.493 -15.308 -7.340 448 HG12 VAL 61 HG12 VAL 61 14.721 -16.881 -7.004 449 HG13 VAL 61 HG13 VAL 61 14.299 -15.956 -8.495 450 HG21 VAL 61 HG21 VAL 61 13.808 -16.195 -4.799 451 HG22 VAL 61 HG22 VAL 61 14.714 -14.727 -4.941 452 HG23 VAL 61 HG23 VAL 61 12.988 -14.618 -4.608 453 H VAL 62 H VAL 62 14.706 -12.950 -9.106 454 HA VAL 62 HA VAL 62 12.710 -13.804 -11.194 455 HB VAL 62 HB VAL 62 14.742 -11.492 -11.279 456 HG11 VAL 62 HG11 VAL 62 12.587 -12.195 -13.290 457 HG12 VAL 62 HG12 VAL 62 13.773 -10.895 -13.423 458 HG13 VAL 62 HG13 VAL 62 14.310 -12.605 -13.499 459 HG21 VAL 62 HG21 VAL 62 12.792 -11.039 -9.812 460 HG22 VAL 62 HG22 VAL 62 12.819 -9.961 -11.236 461 HG23 VAL 62 HG23 VAL 62 11.701 -11.377 -11.197 462 H THR 63 H THR 63 13.468 -15.301 -12.679 463 HA THR 63 HA THR 63 16.427 -15.775 -12.617 464 HB THR 63 HB THR 63 14.267 -17.855 -13.112 465 HG1 THR 63 HG1 THR 63 14.989 -18.620 -11.067 466 HG21 THR 63 HG21 THR 63 16.193 -19.417 -12.731 467 HG22 THR 63 HG22 THR 63 17.273 -17.997 -12.856 468 HG23 THR 63 HG23 THR 63 16.252 -18.454 -14.277 469 HA PRO 64 HA PRO 64 15.867 -14.578 -16.904 470 HB2 PRO 64 HB2 PRO 64 18.463 -14.594 -17.739 471 HB3 PRO 64 HB3 PRO 64 17.859 -13.346 -16.615 472 HG2 PRO 64 HG2 PRO 64 19.325 -15.869 -15.921 473 HG3 PRO 64 HG3 PRO 64 19.710 -14.189 -15.451 474 HD2 PRO 64 HD2 PRO 64 18.284 -15.800 -13.774 475 HD3 PRO 64 HD3 PRO 64 17.875 -14.054 -13.950 476 H ALA 65 H ALA 65 15.876 -15.681 -18.920 477 HA ALA 65 HA ALA 65 15.904 -18.605 -18.712 478 HB1 ALA 65 HB1 ALA 65 14.163 -17.430 -19.936 479 HB2 ALA 65 HB2 ALA 65 15.397 -16.871 -21.111 480 HB3 ALA 65 HB3 ALA 65 15.023 -18.618 -20.948 481 H ALA 66 H ALA 66 18.337 -16.399 -19.386 482 HA ALA 66 HA ALA 66 20.032 -18.496 -20.574 483 HB1 ALA 66 HB1 ALA 66 20.031 -15.835 -22.057 484 HB2 ALA 66 HB2 ALA 66 20.483 -17.474 -22.667 485 HB3 ALA 66 HB3 ALA 66 18.766 -17.034 -22.454 486 HA PRO 67 HA PRO 67 22.838 -16.305 -17.981 487 HB2 PRO 67 HB2 PRO 67 25.286 -16.675 -19.132 488 HB3 PRO 67 HB3 PRO 67 24.404 -18.002 -18.366 489 HG2 PRO 67 HG2 PRO 67 24.502 -17.233 -21.273 490 HG3 PRO 67 HG3 PRO 67 24.832 -18.810 -20.539 491 HD2 PRO 67 HD2 PRO 67 22.411 -18.310 -21.588 492 HD3 PRO 67 HD3 PRO 67 22.539 -19.172 -20.000 493 H LEU 68 H LEU 68 23.986 -14.241 -17.893 494 HA LEU 68 HA LEU 68 23.267 -12.585 -20.214 495 HB2 LEU 68 HB2 LEU 68 24.213 -11.695 -17.490 496 HB3 LEU 68 HB3 LEU 68 23.584 -10.654 -18.734 497 HG LEU 68 HG LEU 68 21.986 -12.778 -17.206 498 HD11 LEU 68 HD11 LEU 68 20.842 -10.912 -16.184 499 HD12 LEU 68 HD12 LEU 68 21.843 -9.757 -17.067 500 HD13 LEU 68 HD13 LEU 68 22.572 -10.826 -15.857 501 HD21 LEU 68 HD21 LEU 68 21.007 -10.763 -19.226 502 HD22 LEU 68 HD22 LEU 68 20.002 -11.789 -18.209 503 HD23 LEU 68 HD23 LEU 68 21.036 -12.525 -19.456 504 H ALA 69 H ALA 69 24.603 -11.723 -21.638 505 HA ALA 69 HA ALA 69 27.486 -12.205 -21.436 506 HB1 ALA 69 HB1 ALA 69 27.532 -11.176 -23.654 507 HB2 ALA 69 HB2 ALA 69 26.101 -12.234 -23.619 508 HB3 ALA 69 HB3 ALA 69 25.913 -10.483 -23.425 509 H ALA 70 H ALA 70 29.031 -10.289 -21.643 510 HA ALA 70 HA ALA 70 28.510 -8.306 -19.628 511 HB1 ALA 70 HB1 ALA 70 30.611 -7.303 -20.422 512 HB2 ALA 70 HB2 ALA 70 30.775 -9.050 -20.362 513 HB3 ALA 70 HB3 ALA 70 30.521 -8.246 -21.936 514 H GLY 71 H GLY 71 27.744 -6.177 -19.795 515 HA2 GLY 71 HA2 GLY 71 27.503 -4.402 -21.747 516 HA3 GLY 71 HA3 GLY 71 26.306 -5.578 -22.298 517 H ASN 72 H ASN 72 25.144 -3.339 -22.000 518 HA ASN 72 HA ASN 72 24.293 -2.806 -19.214 519 HB2 ASN 72 HB2 ASN 72 24.865 -1.002 -20.865 520 HB3 ASN 72 HB3 ASN 72 23.414 -1.459 -21.767 521 HD21 ASN 72 HD21 ASN 72 21.957 0.061 -21.415 522 HD22 ASN 72 HD22 ASN 72 21.552 0.772 -19.865 523 H TYR 73 H TYR 73 22.384 -3.291 -18.304 524 HA TYR 73 HA TYR 73 20.256 -4.412 -20.080 525 HB2 TYR 73 HB2 TYR 73 21.150 -5.392 -17.300 526 HB3 TYR 73 HB3 TYR 73 19.713 -5.932 -18.175 527 HD1 TYR 73 HD1 TYR 73 23.437 -6.004 -18.367 528 HD2 TYR 73 HD2 TYR 73 19.739 -7.570 -19.927 529 HE1 TYR 73 HE1 TYR 73 24.680 -7.698 -19.717 530 HE2 TYR 73 HE2 TYR 73 21.045 -9.335 -21.177 531 HH TYR 73 HH TYR 73 24.560 -9.431 -21.105 532 H LYS 74 H LYS 74 18.124 -4.213 -19.376 533 HA LYS 74 HA LYS 74 17.659 -2.106 -17.300 534 HB2 LYS 74 HB2 LYS 74 17.352 -1.267 -19.666 535 HB3 LYS 74 HB3 LYS 74 16.157 -2.557 -19.921 536 HG2 LYS 74 HG2 LYS 74 14.899 -0.580 -19.498 537 HG3 LYS 74 HG3 LYS 74 14.813 -1.520 -18.002 538 HD2 LYS 74 HD2 LYS 74 15.120 0.756 -17.343 539 HD3 LYS 74 HD3 LYS 74 16.679 -0.021 -17.080 540 HE2 LYS 74 HE2 LYS 74 17.496 0.887 -19.242 541 HE3 LYS 74 HE3 LYS 74 15.933 1.692 -19.487 542 HZ1 LYS 74 HZ1 LYS 74 17.643 2.281 -17.178 543 HZ2 LYS 74 HZ2 LYS 74 16.310 3.108 -17.692 544 HZ3 LYS 74 HZ3 LYS 74 17.707 3.130 -18.586 545 H VAL 75 H VAL 75 16.082 -2.627 -15.830 546 HA VAL 75 HA VAL 75 14.512 -5.142 -16.304 547 HB VAL 75 HB VAL 75 15.507 -3.950 -13.683 548 HG11 VAL 75 HG11 VAL 75 13.841 -6.504 -14.217 549 HG12 VAL 75 HG12 VAL 75 14.419 -5.968 -12.641 550 HG13 VAL 75 HG13 VAL 75 13.215 -5.006 -13.515 551 HG21 VAL 75 HG21 VAL 75 16.854 -5.978 -13.507 552 HG22 VAL 75 HG22 VAL 75 16.224 -6.597 -15.047 553 HG23 VAL 75 HG23 VAL 75 17.248 -5.143 -15.009 554 H VAL 76 H VAL 76 12.374 -4.840 -16.326 555 HA VAL 76 HA VAL 76 11.247 -2.290 -15.182 556 HB VAL 76 HB VAL 76 10.283 -3.886 -17.615 557 HG11 VAL 76 HG11 VAL 76 8.388 -2.968 -16.477 558 HG12 VAL 76 HG12 VAL 76 9.194 -1.389 -16.242 559 HG13 VAL 76 HG13 VAL 76 8.675 -1.933 -17.874 560 HG21 VAL 76 HG21 VAL 76 10.901 -1.851 -18.943 561 HG22 VAL 76 HG22 VAL 76 11.587 -1.117 -17.450 562 HG23 VAL 76 HG23 VAL 76 12.301 -2.592 -18.130 563 H TRP 77 H TRP 77 9.630 -2.695 -13.595 564 HA TRP 77 HA TRP 77 8.560 -5.423 -13.576 565 HB2 TRP 77 HB2 TRP 77 8.967 -5.641 -11.123 566 HB3 TRP 77 HB3 TRP 77 10.424 -5.604 -12.078 567 HD1 TRP 77 HD1 TRP 77 12.140 -3.551 -11.698 568 HE1 TRP 77 HE1 TRP 77 12.378 -1.649 -10.033 569 HE3 TRP 77 HE3 TRP 77 7.534 -3.896 -9.588 570 HZ2 TRP 77 HZ2 TRP 77 10.753 -0.412 -8.057 571 HZ3 TRP 77 HZ3 TRP 77 6.930 -2.297 -7.704 572 HH2 TRP 77 HH2 TRP 77 8.492 -0.508 -7.055 573 H ASN 78 H ASN 78 6.628 -5.784 -12.654 574 HA ASN 78 HA ASN 78 5.037 -3.402 -11.743 575 HB2 ASN 78 HB2 ASN 78 4.173 -5.858 -13.283 576 HB3 ASN 78 HB3 ASN 78 3.068 -4.578 -12.742 577 HD21 ASN 78 HD21 ASN 78 4.105 -2.274 -13.433 578 HD22 ASN 78 HD22 ASN 78 4.466 -2.138 -15.143 579 H ALA 79 H ALA 79 4.526 -3.744 -9.545 580 HA ALA 79 HA ALA 79 4.405 -6.596 -8.650 581 HB1 ALA 79 HB1 ALA 79 5.335 -5.745 -6.471 582 HB2 ALA 79 HB2 ALA 79 6.477 -5.701 -7.821 583 HB3 ALA 79 HB3 ALA 79 5.679 -4.220 -7.280 584 H VAL 80 H VAL 80 2.738 -7.022 -7.120 585 HA VAL 80 HA VAL 80 0.954 -4.727 -6.532 586 HB VAL 80 HB VAL 80 0.081 -7.615 -7.168 587 HG11 VAL 80 HG11 VAL 80 -1.608 -5.168 -6.552 588 HG12 VAL 80 HG12 VAL 80 -2.194 -6.769 -7.046 589 HG13 VAL 80 HG13 VAL 80 -1.316 -6.563 -5.490 590 HG21 VAL 80 HG21 VAL 80 0.706 -6.478 -9.247 591 HG22 VAL 80 HG22 VAL 80 -1.043 -6.457 -9.132 592 HG23 VAL 80 HG23 VAL 80 -0.164 -4.998 -8.789 593 H SER 81 H SER 81 0.601 -4.469 -4.396 594 HA SER 81 HA SER 81 2.111 -6.095 -2.580 595 HB2 SER 81 HB2 SER 81 1.278 -4.601 -0.877 596 HB3 SER 81 HB3 SER 81 1.797 -3.635 -2.245 597 HG SER 81 HG SER 81 -0.203 -2.993 -1.437 598 H VAL 82 H VAL 82 1.046 -6.956 -0.501 599 HA VAL 82 HA VAL 82 -1.031 -8.804 -1.303 600 HB VAL 82 HB VAL 82 -1.136 -9.576 1.036 601 HG11 VAL 82 HG11 VAL 82 1.678 -9.222 -0.098 602 HG12 VAL 82 HG12 VAL 82 1.284 -10.185 1.324 603 HG13 VAL 82 HG13 VAL 82 0.600 -10.630 -0.224 604 HG21 VAL 82 HG21 VAL 82 0.247 -8.531 2.777 605 HG22 VAL 82 HG22 VAL 82 0.923 -7.349 1.578 606 HG23 VAL 82 HG23 VAL 82 -0.796 -7.293 2.047 607 H ASP 83 H ASP 83 -1.099 -5.584 -0.393 608 HA ASP 83 HA ASP 83 -3.901 -5.760 0.562 609 HB2 ASP 83 HB2 ASP 83 -2.073 -4.228 1.593 610 HB3 ASP 83 HB3 ASP 83 -2.179 -3.280 0.100 611 H THR 84 H THR 84 -2.828 -6.399 -2.141 612 HA THR 84 HA THR 84 -3.132 -6.164 -4.322 613 HB THR 84 HB THR 84 -5.426 -6.917 -3.614 614 HG1 THR 84 HG1 THR 84 -5.478 -7.048 -5.670 615 HG21 THR 84 HG21 THR 84 -6.164 -4.023 -4.014 616 HG22 THR 84 HG22 THR 84 -6.234 -4.957 -2.490 617 HG23 THR 84 HG23 THR 84 -7.305 -5.355 -3.848 618 H HIS 85 H HIS 85 -2.114 -3.555 -3.060 619 HA HIS 85 HA HIS 85 -3.069 -1.502 -4.966 620 HB2 HIS 85 HB2 HIS 85 -2.253 -0.965 -2.655 621 HB3 HIS 85 HB3 HIS 85 -0.614 -1.510 -3.145 622 HD1 HIS 85 HD1 HIS 85 -3.075 1.337 -3.720 623 HD2 HIS 85 HD2 HIS 85 0.880 0.281 -4.602 624 HE1 HIS 85 HE1 HIS 85 -1.943 3.402 -4.615 625 H LYS 86 H LYS 86 -2.346 -1.403 -7.030 626 HA LYS 86 HA LYS 86 -0.091 -2.939 -7.939 627 HB2 LYS 86 HB2 LYS 86 -2.229 -2.518 -9.158 628 HB3 LYS 86 HB3 LYS 86 -1.734 -0.808 -9.328 629 HG2 LYS 86 HG2 LYS 86 0.269 -1.649 -10.682 630 HG3 LYS 86 HG3 LYS 86 -0.430 -3.295 -10.617 631 HD2 LYS 86 HD2 LYS 86 -1.804 -0.850 -11.824 632 HD3 LYS 86 HD3 LYS 86 -0.942 -2.117 -12.727 633 HE2 LYS 86 HE2 LYS 86 -2.533 -3.842 -11.807 634 HE3 LYS 86 HE3 LYS 86 -3.415 -2.528 -11.010 635 HZ1 LYS 86 HZ1 LYS 86 -3.040 -2.776 -13.891 636 HZ2 LYS 86 HZ2 LYS 86 -3.781 -1.500 -13.142 637 HZ3 LYS 86 HZ3 LYS 86 -4.414 -3.008 -13.066 638 H SER 87 H SER 87 1.974 -2.249 -8.593 639 HA SER 87 HA SER 87 2.561 0.655 -8.598 640 HB2 SER 87 HB2 SER 87 2.939 0.007 -6.222 641 HB3 SER 87 HB3 SER 87 3.937 -1.355 -6.752 642 HG SER 87 HG SER 87 5.222 0.468 -6.173 643 H ASN 88 H ASN 88 4.643 1.115 -9.712 644 HA ASN 88 HA ASN 88 5.868 -1.232 -11.036 645 HB2 ASN 88 HB2 ASN 88 5.758 -0.161 -13.226 646 HB3 ASN 88 HB3 ASN 88 4.127 -0.313 -12.572 647 HD21 ASN 88 HD21 ASN 88 6.036 1.653 -14.308 648 HD22 ASN 88 HD22 ASN 88 5.399 3.192 -13.820 649 H GLY 89 H GLY 89 7.937 -0.713 -12.146 650 HA2 GLY 89 HA2 GLY 89 9.211 1.812 -11.729 651 HA3 GLY 89 HA3 GLY 89 9.703 0.680 -10.469 652 H GLU 90 H GLU 90 11.692 1.570 -12.026 653 HA GLU 90 HA GLU 90 12.466 -0.785 -13.571 654 HB2 GLU 90 HB2 GLU 90 12.826 0.480 -15.651 655 HB3 GLU 90 HB3 GLU 90 11.118 0.592 -15.184 656 HG2 GLU 90 HG2 GLU 90 11.488 2.797 -14.212 657 HG3 GLU 90 HG3 GLU 90 13.168 2.741 -14.812 658 H TYR 91 H TYR 91 14.780 -0.860 -14.014 659 HA TYR 91 HA TYR 91 16.429 1.423 -13.296 660 HB2 TYR 91 HB2 TYR 91 17.710 0.255 -11.545 661 HB3 TYR 91 HB3 TYR 91 16.030 0.426 -11.051 662 HD1 TYR 91 HD1 TYR 91 14.606 -1.609 -10.867 663 HD2 TYR 91 HD2 TYR 91 18.700 -1.881 -12.035 664 HE1 TYR 91 HE1 TYR 91 14.612 -4.117 -10.374 665 HE2 TYR 91 HE2 TYR 91 18.684 -4.330 -11.531 666 HH TYR 91 HH TYR 91 15.900 -6.044 -10.284 667 H SER 92 H SER 92 18.823 0.901 -13.722 668 HA SER 92 HA SER 92 19.062 -1.403 -15.627 669 HB2 SER 92 HB2 SER 92 20.507 0.056 -17.022 670 HB3 SER 92 HB3 SER 92 18.932 0.841 -16.822 671 HG SER 92 HG SER 92 20.816 2.210 -16.478 672 H PHE 93 H PHE 93 21.267 -2.181 -15.898 673 HA PHE 93 HA PHE 93 23.306 -1.382 -13.964 674 HB2 PHE 93 HB2 PHE 93 23.475 -3.442 -12.731 675 HB3 PHE 93 HB3 PHE 93 21.799 -2.874 -12.576 676 HD1 PHE 93 HD1 PHE 93 19.975 -4.098 -13.644 677 HD2 PHE 93 HD2 PHE 93 24.030 -5.493 -14.000 678 HE1 PHE 93 HE1 PHE 93 19.169 -6.359 -14.512 679 HE2 PHE 93 HE2 PHE 93 23.229 -7.679 -14.853 680 HZ PHE 93 HZ PHE 93 20.841 -8.112 -15.109 681 H LYS 94 H LYS 94 25.344 -2.840 -14.305 682 HA LYS 94 HA LYS 94 25.271 -3.790 -17.142 683 HB2 LYS 94 HB2 LYS 94 26.295 -1.541 -16.867 684 HB3 LYS 94 HB3 LYS 94 27.507 -2.262 -15.780 685 HG2 LYS 94 HG2 LYS 94 28.363 -3.617 -17.662 686 HG3 LYS 94 HG3 LYS 94 27.142 -2.865 -18.765 687 HD2 LYS 94 HD2 LYS 94 28.053 -0.617 -18.241 688 HD3 LYS 94 HD3 LYS 94 29.305 -1.380 -17.216 689 HE2 LYS 94 HE2 LYS 94 30.180 -2.610 -19.244 690 HE3 LYS 94 HE3 LYS 94 28.952 -1.776 -20.252 691 HZ1 LYS 94 HZ1 LYS 94 31.205 -0.742 -20.183 692 HZ2 LYS 94 HZ2 LYS 94 30.903 -0.326 -18.603 693 HZ3 LYS 94 HZ3 LYS 94 29.928 0.282 -19.830 694 H VAL 95 H VAL 95 26.108 -5.687 -17.605 695 HA VAL 95 HA VAL 95 27.334 -7.203 -15.383 696 HB VAL 95 HB VAL 95 26.660 -8.101 -18.203 697 HG11 VAL 95 HG11 VAL 95 28.521 -9.425 -17.310 698 HG12 VAL 95 HG12 VAL 95 27.620 -9.698 -15.820 699 HG13 VAL 95 HG13 VAL 95 27.016 -10.374 -17.337 700 HG21 VAL 95 HG21 VAL 95 24.901 -9.434 -16.937 701 HG22 VAL 95 HG22 VAL 95 25.265 -8.467 -15.499 702 HG23 VAL 95 HG23 VAL 95 24.625 -7.673 -16.935 703 H GLY 96 H GLY 96 29.548 -7.417 -15.155 704 HA2 GLY 96 HA2 GLY 96 31.237 -6.831 -17.505 705 HA3 GLY 96 HA3 GLY 96 31.511 -5.976 -15.997 706 H GLN 97 H GLN 97 30.806 -9.452 -16.756 707 HA GLN 97 HA GLN 97 32.490 -10.392 -14.639 708 HB2 GLN 97 HB2 GLN 97 30.611 -11.683 -15.808 709 HB3 GLN 97 HB3 GLN 97 31.717 -11.875 -17.192 710 HG2 GLN 97 HG2 GLN 97 32.373 -12.867 -14.370 711 HG3 GLN 97 HG3 GLN 97 31.497 -13.864 -15.513 712 HE21 GLN 97 HE21 GLN 97 34.396 -13.731 -14.290 713 HE22 GLN 97 HE22 GLN 97 35.389 -14.057 -15.647 Start of MODEL 9 1 H1 HIS 1 H1 HIS 1 1.941 1.461 1.878 2 H2 HIS 1 H2 HIS 1 2.672 0.035 2.163 3 H3 HIS 1 H3 HIS 1 3.572 1.404 1.962 4 HA HIS 1 HA HIS 1 2.013 -0.055 -0.070 5 HB2 HIS 1 HB2 HIS 1 3.414 2.674 -0.251 6 HB3 HIS 1 HB3 HIS 1 2.772 1.801 -1.638 7 HD1 HIS 1 HD1 HIS 1 1.742 4.668 -0.949 8 HD2 HIS 1 HD2 HIS 1 -0.005 1.155 0.338 9 HE1 HIS 1 HE1 HIS 1 -0.664 5.237 -0.391 10 H ALA 2 H ALA 2 3.345 -0.933 -1.746 11 HA ALA 2 HA ALA 2 5.832 -1.933 -0.674 12 HB1 ALA 2 HB1 ALA 2 5.897 -3.216 -2.835 13 HB2 ALA 2 HB2 ALA 2 4.335 -3.390 -1.998 14 HB3 ALA 2 HB3 ALA 2 4.487 -2.294 -3.414 15 H HIS 3 H HIS 3 7.663 -0.746 -0.648 16 HA HIS 3 HA HIS 3 8.518 0.519 -3.224 17 HB2 HIS 3 HB2 HIS 3 8.968 1.594 -0.402 18 HB3 HIS 3 HB3 HIS 3 9.666 2.279 -1.918 19 HD1 HIS 3 HD1 HIS 3 7.735 3.267 -3.663 20 HD2 HIS 3 HD2 HIS 3 6.542 2.545 0.298 21 HE1 HIS 3 HE1 HIS 3 5.504 4.486 -3.258 22 H LEU 4 H LEU 4 10.828 0.242 -3.617 23 HA LEU 4 HA LEU 4 11.921 -2.224 -2.559 24 HB2 LEU 4 HB2 LEU 4 12.129 -1.445 -4.860 25 HB3 LEU 4 HB3 LEU 4 13.110 -0.101 -4.335 26 HG LEU 4 HG LEU 4 13.986 -3.001 -4.184 27 HD11 LEU 4 HD11 LEU 4 14.576 -0.861 -6.252 28 HD12 LEU 4 HD12 LEU 4 13.566 -2.321 -6.494 29 HD13 LEU 4 HD13 LEU 4 15.310 -2.472 -6.165 30 HD21 LEU 4 HD21 LEU 4 15.378 -1.735 -2.673 31 HD22 LEU 4 HD22 LEU 4 15.500 -0.388 -3.778 32 HD23 LEU 4 HD23 LEU 4 16.298 -1.926 -4.128 33 H LYS 5 H LYS 5 13.216 -2.545 -0.771 34 HA LYS 5 HA LYS 5 14.599 -0.154 0.397 35 HB2 LYS 5 HB2 LYS 5 13.632 -2.721 1.723 36 HB3 LYS 5 HB3 LYS 5 14.700 -1.506 2.522 37 HG2 LYS 5 HG2 LYS 5 12.886 0.207 2.248 38 HG3 LYS 5 HG3 LYS 5 11.916 -1.028 1.465 39 HD2 LYS 5 HD2 LYS 5 11.217 -0.804 3.773 40 HD3 LYS 5 HD3 LYS 5 11.960 -2.393 3.526 41 HE2 LYS 5 HE2 LYS 5 12.739 -1.464 5.671 42 HE3 LYS 5 HE3 LYS 5 14.058 -1.558 4.534 43 HZ1 LYS 5 HZ1 LYS 5 12.470 0.887 4.968 44 HZ2 LYS 5 HZ2 LYS 5 13.882 0.778 4.152 45 HZ3 LYS 5 HZ3 LYS 5 13.871 0.557 5.770 46 H SER 6 H SER 6 15.103 -3.436 -0.861 47 HA SER 6 HA SER 6 17.966 -2.967 -0.736 48 HB2 SER 6 HB2 SER 6 17.573 -4.020 1.438 49 HB3 SER 6 HB3 SER 6 16.695 -5.351 0.644 50 HG SER 6 HG SER 6 19.165 -5.382 1.171 51 H ALA 7 H ALA 7 19.083 -4.431 -2.130 52 HA ALA 7 HA ALA 7 17.501 -6.143 -3.905 53 HB1 ALA 7 HB1 ALA 7 17.956 -4.841 -5.922 54 HB2 ALA 7 HB2 ALA 7 17.061 -3.872 -4.754 55 HB3 ALA 7 HB3 ALA 7 18.814 -3.592 -4.980 56 H THR 8 H THR 8 18.622 -7.137 -5.602 57 HA THR 8 HA THR 8 21.421 -7.942 -5.009 58 HB THR 8 HB THR 8 19.316 -8.828 -7.141 59 HG1 THR 8 HG1 THR 8 18.611 -9.313 -5.131 60 HG21 THR 8 HG21 THR 8 20.610 -10.948 -7.208 61 HG22 THR 8 HG22 THR 8 21.875 -10.156 -6.315 62 HG23 THR 8 HG23 THR 8 21.448 -9.579 -7.949 63 HA PRO 9 HA PRO 9 23.727 -5.112 -7.576 64 HB2 PRO 9 HB2 PRO 9 22.824 -6.235 -10.186 65 HB3 PRO 9 HB3 PRO 9 24.439 -5.864 -9.568 66 HG2 PRO 9 HG2 PRO 9 22.827 -8.424 -9.123 67 HG3 PRO 9 HG3 PRO 9 24.582 -8.233 -8.958 68 HD2 PRO 9 HD2 PRO 9 23.099 -8.498 -6.744 69 HD3 PRO 9 HD3 PRO 9 24.308 -7.154 -6.781 70 H ALA 10 H ALA 10 23.066 -3.401 -7.043 71 HA ALA 10 HA ALA 10 20.666 -2.062 -7.567 72 HB1 ALA 10 HB1 ALA 10 23.429 -1.245 -6.524 73 HB2 ALA 10 HB2 ALA 10 22.032 -0.132 -6.632 74 HB3 ALA 10 HB3 ALA 10 21.921 -1.526 -5.611 75 H ALA 11 H ALA 11 20.567 0.193 -8.446 76 HA ALA 11 HA ALA 11 21.075 0.036 -11.206 77 HB1 ALA 11 HB1 ALA 11 20.396 2.428 -11.185 78 HB2 ALA 11 HB2 ALA 11 19.387 1.483 -10.064 79 HB3 ALA 11 HB3 ALA 11 20.689 2.497 -9.452 80 H ASP 12 H ASP 12 22.553 0.828 -12.524 81 HA ASP 12 HA ASP 12 24.545 1.474 -13.424 82 HB2 ASP 12 HB2 ASP 12 24.822 3.181 -10.944 83 HB3 ASP 12 HB3 ASP 12 25.795 3.334 -12.427 84 H SER 13 H SER 13 24.435 -0.692 -11.099 85 HA SER 13 HA SER 13 27.241 -0.755 -10.253 86 HB2 SER 13 HB2 SER 13 26.782 -2.821 -9.182 87 HB3 SER 13 HB3 SER 13 25.532 -1.642 -8.743 88 HG SER 13 HG SER 13 24.111 -2.630 -10.110 89 H THR 14 H THR 14 28.837 -2.346 -10.905 90 HA THR 14 HA THR 14 28.101 -3.709 -13.443 91 HB THR 14 HB THR 14 30.868 -2.769 -12.657 92 HG1 THR 14 HG1 THR 14 30.511 -1.213 -14.311 93 HG21 THR 14 HG21 THR 14 29.813 -3.867 -15.284 94 HG22 THR 14 HG22 THR 14 30.883 -4.730 -14.159 95 HG23 THR 14 HG23 THR 14 31.448 -3.268 -14.972 96 H VAL 15 H VAL 15 27.821 -5.872 -12.978 97 HA VAL 15 HA VAL 15 29.623 -7.112 -10.931 98 HB VAL 15 HB VAL 15 27.648 -8.357 -10.114 99 HG11 VAL 15 HG11 VAL 15 27.100 -5.379 -10.019 100 HG12 VAL 15 HG12 VAL 15 26.645 -6.586 -8.832 101 HG13 VAL 15 HG13 VAL 15 28.345 -6.172 -9.058 102 HG21 VAL 15 HG21 VAL 15 25.383 -7.742 -10.892 103 HG22 VAL 15 HG22 VAL 15 26.024 -6.500 -11.973 104 HG23 VAL 15 HG23 VAL 15 26.290 -8.232 -12.294 105 H ALA 16 H ALA 16 29.662 -9.455 -10.928 106 HA ALA 16 HA ALA 16 29.806 -10.622 -13.609 107 HB1 ALA 16 HB1 ALA 16 31.274 -11.500 -11.880 108 HB2 ALA 16 HB2 ALA 16 29.918 -11.744 -10.778 109 HB3 ALA 16 HB3 ALA 16 30.089 -12.736 -12.259 110 H ALA 17 H ALA 17 28.158 -12.264 -14.367 111 HA ALA 17 HA ALA 17 25.557 -11.321 -13.755 112 HB1 ALA 17 HB1 ALA 17 26.200 -12.431 -15.866 113 HB2 ALA 17 HB2 ALA 17 26.271 -13.977 -14.994 114 HB3 ALA 17 HB3 ALA 17 24.740 -13.112 -15.127 115 HA PRO 18 HA PRO 18 24.971 -13.783 -10.063 116 HB2 PRO 18 HB2 PRO 18 22.505 -13.028 -9.326 117 HB3 PRO 18 HB3 PRO 18 23.877 -11.920 -9.215 118 HG2 PRO 18 HG2 PRO 18 21.829 -12.243 -11.350 119 HG3 PRO 18 HG3 PRO 18 22.303 -10.738 -10.532 120 HD2 PRO 18 HD2 PRO 18 23.279 -11.423 -12.952 121 HD3 PRO 18 HD3 PRO 18 24.295 -10.580 -11.737 122 H ALA 19 H ALA 19 23.664 -15.717 -9.308 123 HA ALA 19 HA ALA 19 22.838 -17.320 -11.568 124 HB1 ALA 19 HB1 ALA 19 22.164 -18.981 -9.935 125 HB2 ALA 19 HB2 ALA 19 23.612 -18.212 -9.251 126 HB3 ALA 19 HB3 ALA 19 21.983 -17.794 -8.641 127 H ASP 20 H ASP 20 21.154 -15.303 -9.167 128 HA ASP 20 HA ASP 20 18.821 -15.059 -10.933 129 HB2 ASP 20 HB2 ASP 20 17.219 -15.642 -9.157 130 HB3 ASP 20 HB3 ASP 20 18.289 -17.002 -9.468 131 H LEU 21 H LEU 21 17.423 -13.172 -10.173 132 HA LEU 21 HA LEU 21 19.121 -11.263 -8.561 133 HB2 LEU 21 HB2 LEU 21 17.030 -10.605 -10.676 134 HB3 LEU 21 HB3 LEU 21 17.894 -9.456 -9.672 135 HG LEU 21 HG LEU 21 20.011 -10.070 -10.814 136 HD11 LEU 21 HD11 LEU 21 18.155 -11.693 -12.581 137 HD12 LEU 21 HD12 LEU 21 19.585 -12.251 -11.732 138 HD13 LEU 21 HD13 LEU 21 19.773 -11.174 -13.100 139 HD21 LEU 21 HD21 LEU 21 19.559 -8.768 -12.797 140 HD22 LEU 21 HD22 LEU 21 18.614 -8.122 -11.474 141 HD23 LEU 21 HD23 LEU 21 17.845 -9.147 -12.688 142 H ARG 22 H ARG 22 18.232 -10.528 -6.678 143 HA ARG 22 HA ARG 22 15.366 -11.196 -6.207 144 HB2 ARG 22 HB2 ARG 22 17.666 -11.166 -4.255 145 HB3 ARG 22 HB3 ARG 22 15.979 -11.553 -3.854 146 HG2 ARG 22 HG2 ARG 22 16.071 -13.468 -5.463 147 HG3 ARG 22 HG3 ARG 22 17.816 -13.096 -5.739 148 HD2 ARG 22 HD2 ARG 22 18.233 -13.468 -3.349 149 HD3 ARG 22 HD3 ARG 22 16.514 -13.951 -3.149 150 HE ARG 22 HE ARG 22 17.633 -15.427 -5.305 151 HH11 ARG 22 HH11 ARG 22 17.967 -15.301 -1.756 152 HH12 ARG 22 HH12 ARG 22 18.506 -16.985 -1.699 153 HH21 ARG 22 HH21 ARG 22 18.173 -17.503 -5.075 154 HH22 ARG 22 HH22 ARG 22 18.620 -18.226 -3.523 155 H LEU 23 H LEU 23 14.004 -9.578 -5.677 156 HA LEU 23 HA LEU 23 15.264 -6.918 -4.979 157 HB2 LEU 23 HB2 LEU 23 12.535 -7.546 -6.211 158 HB3 LEU 23 HB3 LEU 23 13.088 -5.951 -5.766 159 HG LEU 23 HG LEU 23 14.783 -5.986 -7.507 160 HD11 LEU 23 HD11 LEU 23 15.210 -8.321 -8.014 161 HD12 LEU 23 HD12 LEU 23 14.496 -7.569 -9.452 162 HD13 LEU 23 HD13 LEU 23 13.484 -8.602 -8.421 163 HD21 LEU 23 HD21 LEU 23 11.849 -6.442 -8.276 164 HD22 LEU 23 HD22 LEU 23 13.081 -5.723 -9.387 165 HD23 LEU 23 HD23 LEU 23 12.683 -4.891 -7.873 166 H THR 24 H THR 24 14.570 -5.948 -2.985 167 HA THR 24 HA THR 24 12.633 -7.579 -1.404 168 HB THR 24 HB THR 24 14.948 -5.955 -0.364 169 HG1 THR 24 HG1 THR 24 15.552 -7.894 -1.478 170 HG21 THR 24 HG21 THR 24 14.486 -7.065 1.763 171 HG22 THR 24 HG22 THR 24 13.065 -7.896 1.022 172 HG23 THR 24 HG23 THR 24 13.099 -6.142 1.228 173 H PHE 25 H PHE 25 10.798 -6.554 -0.819 174 HA PHE 25 HA PHE 25 10.779 -3.579 -1.102 175 HB2 PHE 25 HB2 PHE 25 8.474 -5.598 -1.376 176 HB3 PHE 25 HB3 PHE 25 8.377 -3.847 -1.645 177 HD1 PHE 25 HD1 PHE 25 9.393 -7.077 -3.083 178 HD2 PHE 25 HD2 PHE 25 9.402 -2.809 -3.644 179 HE1 PHE 25 HE1 PHE 25 9.982 -7.388 -5.503 180 HE2 PHE 25 HE2 PHE 25 10.077 -3.119 -6.053 181 HZ PHE 25 HZ PHE 25 10.306 -5.377 -6.980 182 H SER 26 H SER 26 9.307 -2.394 0.300 183 HA SER 26 HA SER 26 9.659 -3.104 3.061 184 HB2 SER 26 HB2 SER 26 8.376 -1.028 3.450 185 HB3 SER 26 HB3 SER 26 9.616 -0.778 2.200 186 HG SER 26 HG SER 26 7.070 -0.289 1.935 187 H GLU 27 H GLU 27 7.155 -3.869 0.775 188 HA GLU 27 HA GLU 27 5.382 -4.898 2.955 189 HB2 GLU 27 HB2 GLU 27 4.608 -2.657 2.163 190 HB3 GLU 27 HB3 GLU 27 4.484 -3.316 0.506 191 HG2 GLU 27 HG2 GLU 27 2.799 -4.914 1.271 192 HG3 GLU 27 HG3 GLU 27 2.966 -4.300 2.917 193 H GLY 28 H GLY 28 4.364 -6.895 2.274 194 HA2 GLY 28 HA2 GLY 28 5.961 -8.284 0.365 195 HA3 GLY 28 HA3 GLY 28 4.514 -8.905 1.130 196 H VAL 29 H VAL 29 5.372 -9.295 -1.663 197 HA VAL 29 HA VAL 29 3.102 -7.878 -3.031 198 HB VAL 29 HB VAL 29 4.440 -7.924 -5.099 199 HG11 VAL 29 HG11 VAL 29 6.228 -6.150 -4.374 200 HG12 VAL 29 HG12 VAL 29 4.535 -5.827 -3.954 201 HG13 VAL 29 HG13 VAL 29 5.640 -6.437 -2.709 202 HG21 VAL 29 HG21 VAL 29 6.763 -8.867 -3.335 203 HG22 VAL 29 HG22 VAL 29 5.924 -9.851 -4.573 204 HG23 VAL 29 HG23 VAL 29 6.861 -8.471 -5.060 205 H GLU 30 H GLU 30 2.068 -9.130 -4.809 206 HA GLU 30 HA GLU 30 2.108 -11.988 -4.083 207 HB2 GLU 30 HB2 GLU 30 0.354 -10.484 -6.029 208 HB3 GLU 30 HB3 GLU 30 0.190 -12.200 -5.655 209 HG2 GLU 30 HG2 GLU 30 -0.133 -9.976 -3.581 210 HG3 GLU 30 HG3 GLU 30 -1.459 -10.631 -4.502 211 H ALA 31 H ALA 31 3.483 -13.351 -5.176 212 HA ALA 31 HA ALA 31 4.992 -12.490 -7.436 213 HB1 ALA 31 HB1 ALA 31 5.890 -14.715 -7.445 214 HB2 ALA 31 HB2 ALA 31 5.611 -14.303 -5.744 215 HB3 ALA 31 HB3 ALA 31 4.463 -15.342 -6.573 216 H THR 32 H THR 32 1.909 -14.084 -7.066 217 HA THR 32 HA THR 32 1.679 -15.346 -9.621 218 HB THR 32 HB THR 32 -0.506 -14.171 -7.852 219 HG1 THR 32 HG1 THR 32 0.642 -16.770 -7.815 220 HG21 THR 32 HG21 THR 32 -0.515 -16.390 -9.917 221 HG22 THR 32 HG22 THR 32 -1.431 -14.898 -9.930 222 HG23 THR 32 HG23 THR 32 -1.817 -16.135 -8.750 223 H PHE 33 H PHE 33 1.065 -11.987 -8.594 224 HA PHE 33 HA PHE 33 0.192 -11.376 -11.341 225 HB2 PHE 33 HB2 PHE 33 -0.337 -9.850 -8.818 226 HB3 PHE 33 HB3 PHE 33 -0.949 -9.443 -10.425 227 HD1 PHE 33 HD1 PHE 33 -1.485 -11.376 -7.386 228 HD2 PHE 33 HD2 PHE 33 -2.495 -11.068 -11.565 229 HE1 PHE 33 HE1 PHE 33 -3.429 -12.875 -7.038 230 HE2 PHE 33 HE2 PHE 33 -4.440 -12.576 -11.210 231 HZ PHE 33 HZ PHE 33 -4.931 -13.498 -8.922 232 H THR 34 H THR 34 2.960 -11.083 -9.511 233 HA THR 34 HA THR 34 3.698 -8.370 -10.345 234 HB THR 34 HB THR 34 5.503 -10.710 -9.532 235 HG1 THR 34 HG1 THR 34 4.025 -10.168 -7.856 236 HG21 THR 34 HG21 THR 34 6.800 -8.889 -10.568 237 HG22 THR 34 HG22 THR 34 7.084 -8.918 -8.821 238 HG23 THR 34 HG23 THR 34 6.011 -7.712 -9.518 239 H LYS 35 H LYS 35 4.681 -7.718 -12.299 240 HA LYS 35 HA LYS 35 5.370 -9.895 -14.222 241 HB2 LYS 35 HB2 LYS 35 4.295 -7.120 -14.727 242 HB3 LYS 35 HB3 LYS 35 4.904 -8.200 -15.980 243 HG2 LYS 35 HG2 LYS 35 2.458 -8.814 -14.292 244 HG3 LYS 35 HG3 LYS 35 2.453 -8.165 -15.938 245 HD2 LYS 35 HD2 LYS 35 3.748 -10.138 -16.737 246 HD3 LYS 35 HD3 LYS 35 3.552 -10.891 -15.135 247 HE2 LYS 35 HE2 LYS 35 1.091 -10.859 -15.442 248 HE3 LYS 35 HE3 LYS 35 1.342 -10.072 -17.046 249 HZ1 LYS 35 HZ1 LYS 35 2.359 -12.696 -16.230 250 HZ2 LYS 35 HZ2 LYS 35 2.636 -12.002 -17.680 251 HZ3 LYS 35 HZ3 LYS 35 1.121 -12.451 -17.248 252 H VAL 36 H VAL 36 7.380 -9.880 -15.083 253 HA VAL 36 HA VAL 36 9.092 -7.498 -14.469 254 HB VAL 36 HB VAL 36 9.864 -10.415 -14.071 255 HG11 VAL 36 HG11 VAL 36 11.984 -9.320 -13.176 256 HG12 VAL 36 HG12 VAL 36 11.817 -9.212 -14.912 257 HG13 VAL 36 HG13 VAL 36 11.451 -7.803 -13.892 258 HG21 VAL 36 HG21 VAL 36 10.159 -9.699 -11.669 259 HG22 VAL 36 HG22 VAL 36 9.422 -8.143 -12.068 260 HG23 VAL 36 HG23 VAL 36 8.486 -9.638 -12.188 261 H SER 37 H SER 37 10.285 -6.834 -16.184 262 HA SER 37 HA SER 37 10.593 -8.744 -18.435 263 HB2 SER 37 HB2 SER 37 9.865 -5.799 -18.571 264 HB3 SER 37 HB3 SER 37 10.337 -6.826 -19.944 265 HG SER 37 HG SER 37 8.531 -7.931 -19.785 266 H LEU 38 H LEU 38 12.575 -8.550 -19.456 267 HA LEU 38 HA LEU 38 14.597 -6.707 -18.260 268 HB2 LEU 38 HB2 LEU 38 14.736 -9.031 -17.207 269 HB3 LEU 38 HB3 LEU 38 14.866 -9.711 -18.822 270 HG LEU 38 HG LEU 38 17.030 -8.616 -19.176 271 HD11 LEU 38 HD11 LEU 38 18.287 -7.805 -17.213 272 HD12 LEU 38 HD12 LEU 38 16.819 -7.911 -16.227 273 HD13 LEU 38 HD13 LEU 38 16.905 -6.785 -17.595 274 HD21 LEU 38 HD21 LEU 38 16.709 -10.951 -18.226 275 HD22 LEU 38 HD22 LEU 38 16.943 -10.305 -16.615 276 HD23 LEU 38 HD23 LEU 38 18.265 -10.211 -17.807 277 H SER 39 H SER 39 15.961 -5.819 -19.835 278 HA SER 39 HA SER 39 15.940 -7.204 -22.476 279 HB2 SER 39 HB2 SER 39 15.769 -5.033 -23.644 280 HB3 SER 39 HB3 SER 39 14.346 -5.230 -22.588 281 HG SER 39 HG SER 39 14.954 -3.574 -21.442 282 H LYS 40 H LYS 40 17.768 -6.887 -23.734 283 HA LYS 40 HA LYS 40 20.129 -5.738 -22.224 284 HB2 LYS 40 HB2 LYS 40 20.019 -8.238 -22.204 285 HB3 LYS 40 HB3 LYS 40 19.980 -8.293 -23.963 286 HG2 LYS 40 HG2 LYS 40 22.345 -7.086 -22.413 287 HG3 LYS 40 HG3 LYS 40 22.231 -8.811 -22.829 288 HD2 LYS 40 HD2 LYS 40 22.143 -8.292 -25.245 289 HD3 LYS 40 HD3 LYS 40 22.358 -6.571 -24.882 290 HE2 LYS 40 HE2 LYS 40 24.536 -7.027 -23.795 291 HE3 LYS 40 HE3 LYS 40 24.339 -8.759 -24.143 292 HZ1 LYS 40 HZ1 LYS 40 24.170 -8.043 -26.565 293 HZ2 LYS 40 HZ2 LYS 40 25.672 -7.944 -25.877 294 HZ3 LYS 40 HZ3 LYS 40 24.771 -6.574 -26.119 295 H ASP 41 H ASP 41 20.994 -4.117 -23.438 296 HA ASP 41 HA ASP 41 21.426 -2.747 -25.200 297 HB2 ASP 41 HB2 ASP 41 22.539 -4.896 -25.966 298 HB3 ASP 41 HB3 ASP 41 21.169 -5.099 -27.083 299 H GLY 42 H GLY 42 18.568 -3.178 -24.434 300 HA2 GLY 42 HA2 GLY 42 16.596 -2.233 -25.224 301 HA3 GLY 42 HA3 GLY 42 17.373 -1.916 -26.809 302 H THR 43 H THR 43 17.628 -5.217 -25.792 303 HA THR 43 HA THR 43 15.169 -5.858 -27.365 304 HB THR 43 HB THR 43 17.732 -7.470 -27.384 305 HG1 THR 43 HG1 THR 43 17.859 -5.444 -28.410 306 HG21 THR 43 HG21 THR 43 16.727 -8.579 -29.260 307 HG22 THR 43 HG22 THR 43 15.224 -7.644 -29.005 308 HG23 THR 43 HG23 THR 43 15.774 -8.824 -27.795 309 H GLU 44 H GLU 44 13.650 -7.095 -26.195 310 HA GLU 44 HA GLU 44 14.145 -7.759 -23.469 311 HB2 GLU 44 HB2 GLU 44 11.994 -8.750 -25.318 312 HB3 GLU 44 HB3 GLU 44 12.075 -9.087 -23.607 313 HG2 GLU 44 HG2 GLU 44 11.906 -6.650 -23.174 314 HG3 GLU 44 HG3 GLU 44 11.680 -6.316 -24.860 315 H VAL 45 H VAL 45 14.576 -9.547 -22.326 316 HA VAL 45 HA VAL 45 15.545 -11.934 -23.844 317 HB VAL 45 HB VAL 45 16.714 -10.653 -21.282 318 HG11 VAL 45 HG11 VAL 45 18.515 -12.393 -21.538 319 HG12 VAL 45 HG12 VAL 45 16.925 -13.090 -21.130 320 HG13 VAL 45 HG13 VAL 45 17.573 -13.169 -22.822 321 HG21 VAL 45 HG21 VAL 45 18.759 -10.341 -22.665 322 HG22 VAL 45 HG22 VAL 45 17.831 -10.858 -24.090 323 HG23 VAL 45 HG23 VAL 45 17.390 -9.374 -23.207 324 H ALA 46 H ALA 46 14.803 -13.890 -23.064 325 HA ALA 46 HA ALA 46 12.394 -13.781 -21.540 326 HB1 ALA 46 HB1 ALA 46 12.440 -16.224 -21.791 327 HB2 ALA 46 HB2 ALA 46 12.929 -15.402 -23.294 328 HB3 ALA 46 HB3 ALA 46 14.165 -16.161 -22.253 329 H ILE 47 H ILE 47 11.728 -14.598 -19.626 330 HA ILE 47 HA ILE 47 13.809 -14.945 -17.495 331 HB ILE 47 HB ILE 47 10.959 -13.737 -17.345 332 HG12 ILE 47 HG12 ILE 47 12.571 -12.140 -18.348 333 HG13 ILE 47 HG13 ILE 47 12.095 -11.629 -16.735 334 HG21 ILE 47 HG21 ILE 47 12.954 -14.254 -15.151 335 HG22 ILE 47 HG22 ILE 47 11.537 -13.199 -14.974 336 HG23 ILE 47 HG23 ILE 47 11.332 -14.918 -15.345 337 HD11 ILE 47 HD11 ILE 47 14.339 -12.741 -15.947 338 HD12 ILE 47 HD12 ILE 47 14.775 -12.740 -17.686 339 HD13 ILE 47 HD13 ILE 47 14.404 -11.230 -16.794 340 H LYS 48 H LYS 48 13.677 -17.009 -16.522 341 HA LYS 48 HA LYS 48 11.913 -18.931 -17.756 342 HB2 LYS 48 HB2 LYS 48 14.133 -19.524 -16.690 343 HB3 LYS 48 HB3 LYS 48 13.415 -19.201 -15.113 344 HG2 LYS 48 HG2 LYS 48 11.734 -20.940 -15.500 345 HG3 LYS 48 HG3 LYS 48 12.525 -21.351 -17.037 346 HD2 LYS 48 HD2 LYS 48 13.823 -21.427 -14.273 347 HD3 LYS 48 HD3 LYS 48 13.078 -22.829 -15.099 348 HE2 LYS 48 HE2 LYS 48 14.689 -22.533 -16.988 349 HE3 LYS 48 HE3 LYS 48 15.483 -21.229 -16.088 350 HZ1 LYS 48 HZ1 LYS 48 15.134 -23.982 -15.043 351 HZ2 LYS 48 HZ2 LYS 48 16.043 -22.765 -14.398 352 HZ3 LYS 48 HZ3 LYS 48 16.503 -23.449 -15.816 353 H GLY 49 H GLY 49 11.826 -17.070 -14.662 354 HA2 GLY 49 HA2 GLY 49 9.015 -17.094 -14.455 355 HA3 GLY 49 HA3 GLY 49 9.603 -18.495 -13.562 356 H LEU 50 H LEU 50 8.426 -16.971 -11.924 357 HA LEU 50 HA LEU 50 10.562 -15.662 -10.423 358 HB2 LEU 50 HB2 LEU 50 9.491 -13.570 -10.100 359 HB3 LEU 50 HB3 LEU 50 9.597 -13.817 -11.856 360 HG LEU 50 HG LEU 50 7.099 -14.099 -10.140 361 HD11 LEU 50 HD11 LEU 50 7.882 -11.970 -12.090 362 HD12 LEU 50 HD12 LEU 50 8.055 -11.838 -10.317 363 HD13 LEU 50 HD13 LEU 50 6.429 -12.044 -11.064 364 HD21 LEU 50 HD21 LEU 50 7.435 -14.172 -13.172 365 HD22 LEU 50 HD22 LEU 50 5.885 -14.035 -12.296 366 HD23 LEU 50 HD23 LEU 50 6.829 -15.495 -12.122 367 H GLU 51 H GLU 51 10.040 -15.491 -8.121 368 HA GLU 51 HA GLU 51 7.394 -16.477 -7.219 369 HB2 GLU 51 HB2 GLU 51 8.305 -18.378 -6.028 370 HB3 GLU 51 HB3 GLU 51 8.713 -18.525 -7.728 371 HG2 GLU 51 HG2 GLU 51 11.009 -17.689 -7.216 372 HG3 GLU 51 HG3 GLU 51 10.554 -17.641 -5.505 373 H THR 52 H THR 52 7.364 -16.481 -4.753 374 HA THR 52 HA THR 52 9.473 -14.713 -3.624 375 HB THR 52 HB THR 52 7.766 -13.858 -2.018 376 HG1 THR 52 HG1 THR 52 6.341 -15.742 -2.668 377 HG21 THR 52 HG21 THR 52 8.222 -12.367 -3.809 378 HG22 THR 52 HG22 THR 52 6.432 -12.498 -3.724 379 HG23 THR 52 HG23 THR 52 7.305 -13.396 -4.977 380 HA PRO 53 HA PRO 53 9.564 -18.617 -1.397 381 HB2 PRO 53 HB2 PRO 53 11.915 -18.398 -0.081 382 HB3 PRO 53 HB3 PRO 53 11.886 -18.652 -1.827 383 HG2 PRO 53 HG2 PRO 53 12.206 -16.078 -0.294 384 HG3 PRO 53 HG3 PRO 53 13.222 -16.742 -1.655 385 HD2 PRO 53 HD2 PRO 53 11.241 -14.897 -2.083 386 HD3 PRO 53 HD3 PRO 53 11.590 -16.211 -3.242 387 H ASP 54 H ASP 54 9.785 -15.412 0.015 388 HA ASP 54 HA ASP 54 9.771 -16.202 2.791 389 HB2 ASP 54 HB2 ASP 54 8.791 -13.666 1.333 390 HB3 ASP 54 HB3 ASP 54 8.932 -13.805 3.094 391 H ALA 55 H ALA 55 8.067 -16.302 4.225 392 HA ALA 55 HA ALA 55 5.434 -17.069 3.156 393 HB1 ALA 55 HB1 ALA 55 6.390 -16.337 5.974 394 HB2 ALA 55 HB2 ALA 55 4.816 -17.068 5.560 395 HB3 ALA 55 HB3 ALA 55 6.336 -17.981 5.295 396 H ASP 56 H ASP 56 7.043 -14.190 4.573 397 HA ASP 56 HA ASP 56 4.771 -12.468 4.664 398 HB2 ASP 56 HB2 ASP 56 7.754 -11.882 4.511 399 HB3 ASP 56 HB3 ASP 56 6.483 -10.665 4.817 400 H LYS 57 H LYS 57 6.787 -13.548 2.189 401 HA LYS 57 HA LYS 57 7.139 -13.172 -0.006 402 HB2 LYS 57 HB2 LYS 57 4.525 -11.674 0.098 403 HB3 LYS 57 HB3 LYS 57 5.329 -12.232 -1.347 404 HG2 LYS 57 HG2 LYS 57 5.001 -14.576 -0.562 405 HG3 LYS 57 HG3 LYS 57 4.062 -13.912 0.795 406 HD2 LYS 57 HD2 LYS 57 2.543 -12.777 -0.832 407 HD3 LYS 57 HD3 LYS 57 3.479 -13.484 -2.174 408 HE2 LYS 57 HE2 LYS 57 1.511 -14.858 -1.839 409 HE3 LYS 57 HE3 LYS 57 2.954 -15.740 -1.344 410 HZ1 LYS 57 HZ1 LYS 57 1.246 -16.029 0.289 411 HZ2 LYS 57 HZ2 LYS 57 0.989 -14.393 0.424 412 HZ3 LYS 57 HZ3 LYS 57 2.405 -15.063 0.969 413 H LYS 58 H LYS 58 8.348 -11.179 1.763 414 HA LYS 58 HA LYS 58 8.116 -8.654 0.300 415 HB2 LYS 58 HB2 LYS 58 10.013 -9.404 2.513 416 HB3 LYS 58 HB3 LYS 58 9.872 -7.815 1.767 417 HG2 LYS 58 HG2 LYS 58 7.437 -7.718 2.457 418 HG3 LYS 58 HG3 LYS 58 7.678 -9.197 3.397 419 HD2 LYS 58 HD2 LYS 58 9.231 -6.620 3.732 420 HD3 LYS 58 HD3 LYS 58 7.842 -7.044 4.710 421 HE2 LYS 58 HE2 LYS 58 10.480 -8.538 4.632 422 HE3 LYS 58 HE3 LYS 58 9.931 -7.392 5.891 423 HZ1 LYS 58 HZ1 LYS 58 9.010 -10.114 5.420 424 HZ2 LYS 58 HZ2 LYS 58 7.921 -9.006 6.046 425 HZ3 LYS 58 HZ3 LYS 58 9.345 -9.331 6.833 426 H THR 59 H THR 59 10.124 -11.419 0.037 427 HA THR 59 HA THR 59 12.062 -9.882 -1.646 428 HB THR 59 HB THR 59 12.366 -12.691 -0.590 429 HG1 THR 59 HG1 THR 59 12.470 -11.278 1.116 430 HG21 THR 59 HG21 THR 59 14.761 -12.339 -1.201 431 HG22 THR 59 HG22 THR 59 14.269 -10.830 -2.011 432 HG23 THR 59 HG23 THR 59 13.655 -12.394 -2.553 433 H LEU 60 H LEU 60 11.845 -9.990 -3.818 434 HA LEU 60 HA LEU 60 10.138 -12.184 -4.950 435 HB2 LEU 60 HB2 LEU 60 9.368 -9.837 -5.177 436 HB3 LEU 60 HB3 LEU 60 10.829 -9.416 -6.046 437 HG LEU 60 HG LEU 60 8.889 -9.532 -7.462 438 HD11 LEU 60 HD11 LEU 60 11.210 -10.156 -8.252 439 HD12 LEU 60 HD12 LEU 60 9.842 -10.591 -9.304 440 HD13 LEU 60 HD13 LEU 60 10.638 -11.815 -8.291 441 HD21 LEU 60 HD21 LEU 60 7.667 -11.364 -6.252 442 HD22 LEU 60 HD22 LEU 60 8.791 -12.541 -6.919 443 HD23 LEU 60 HD23 LEU 60 7.767 -11.614 -7.998 444 H VAL 61 H VAL 61 11.163 -13.692 -6.256 445 HA VAL 61 HA VAL 61 14.066 -13.205 -6.907 446 HB VAL 61 HB VAL 61 12.386 -15.796 -6.891 447 HG11 VAL 61 HG11 VAL 61 14.225 -16.073 -8.434 448 HG12 VAL 61 HG12 VAL 61 15.376 -15.408 -7.308 449 HG13 VAL 61 HG13 VAL 61 14.572 -16.973 -7.002 450 HG21 VAL 61 HG21 VAL 61 12.756 -14.786 -4.599 451 HG22 VAL 61 HG22 VAL 61 13.501 -16.367 -4.810 452 HG23 VAL 61 HG23 VAL 61 14.508 -14.874 -4.890 453 H VAL 62 H VAL 62 14.737 -12.992 -9.005 454 HA VAL 62 HA VAL 62 12.766 -13.693 -11.158 455 HB VAL 62 HB VAL 62 14.947 -11.542 -11.177 456 HG11 VAL 62 HG11 VAL 62 13.941 -10.891 -13.348 457 HG12 VAL 62 HG12 VAL 62 14.536 -12.570 -13.417 458 HG13 VAL 62 HG13 VAL 62 12.829 -12.230 -13.277 459 HG21 VAL 62 HG21 VAL 62 11.914 -11.301 -11.031 460 HG22 VAL 62 HG22 VAL 62 13.039 -10.928 -9.754 461 HG23 VAL 62 HG23 VAL 62 13.023 -9.952 -11.231 462 H THR 63 H THR 63 13.487 -15.276 -12.603 463 HA THR 63 HA THR 63 16.381 -15.974 -12.385 464 HB THR 63 HB THR 63 14.074 -17.882 -12.989 465 HG1 THR 63 HG1 THR 63 15.698 -17.608 -10.657 466 HG21 THR 63 HG21 THR 63 15.848 -19.591 -12.439 467 HG22 THR 63 HG22 THR 63 17.058 -18.276 -12.525 468 HG23 THR 63 HG23 THR 63 16.095 -18.702 -13.998 469 HA PRO 64 HA PRO 64 16.264 -14.838 -16.725 470 HB2 PRO 64 HB2 PRO 64 18.876 -15.302 -17.377 471 HB3 PRO 64 HB3 PRO 64 18.384 -13.952 -16.303 472 HG2 PRO 64 HG2 PRO 64 19.398 -16.642 -15.505 473 HG3 PRO 64 HG3 PRO 64 19.962 -15.025 -15.010 474 HD2 PRO 64 HD2 PRO 64 18.234 -16.437 -13.465 475 HD3 PRO 64 HD3 PRO 64 18.106 -14.658 -13.642 476 H ALA 65 H ALA 65 16.336 -15.917 -18.769 477 HA ALA 65 HA ALA 65 16.352 -18.908 -18.627 478 HB1 ALA 65 HB1 ALA 65 14.787 -18.864 -20.468 479 HB2 ALA 65 HB2 ALA 65 14.170 -17.922 -19.105 480 HB3 ALA 65 HB3 ALA 65 14.864 -17.098 -20.494 481 H ALA 66 H ALA 66 18.397 -16.616 -19.409 482 HA ALA 66 HA ALA 66 19.665 -18.240 -21.511 483 HB1 ALA 66 HB1 ALA 66 19.466 -15.243 -22.021 484 HB2 ALA 66 HB2 ALA 66 19.788 -16.550 -23.219 485 HB3 ALA 66 HB3 ALA 66 18.140 -16.307 -22.559 486 HA PRO 67 HA PRO 67 22.998 -16.865 -19.004 487 HB2 PRO 67 HB2 PRO 67 25.224 -16.898 -20.605 488 HB3 PRO 67 HB3 PRO 67 24.416 -18.365 -20.057 489 HG2 PRO 67 HG2 PRO 67 24.034 -16.877 -22.635 490 HG3 PRO 67 HG3 PRO 67 24.419 -18.610 -22.393 491 HD2 PRO 67 HD2 PRO 67 21.902 -17.781 -22.862 492 HD3 PRO 67 HD3 PRO 67 22.247 -19.089 -21.659 493 H LEU 68 H LEU 68 24.067 -14.847 -18.453 494 HA LEU 68 HA LEU 68 23.128 -12.636 -20.136 495 HB2 LEU 68 HB2 LEU 68 24.340 -12.535 -17.359 496 HB3 LEU 68 HB3 LEU 68 23.624 -11.192 -18.237 497 HG LEU 68 HG LEU 68 22.128 -13.608 -17.202 498 HD11 LEU 68 HD11 LEU 68 22.014 -10.750 -16.198 499 HD12 LEU 68 HD12 LEU 68 22.989 -12.027 -15.420 500 HD13 LEU 68 HD13 LEU 68 21.217 -12.196 -15.534 501 HD21 LEU 68 HD21 LEU 68 20.082 -12.368 -17.697 502 HD22 LEU 68 HD22 LEU 68 21.029 -12.611 -19.190 503 HD23 LEU 68 HD23 LEU 68 21.027 -11.050 -18.426 504 H ALA 69 H ALA 69 24.465 -12.071 -21.737 505 HA ALA 69 HA ALA 69 27.357 -12.285 -21.535 506 HB1 ALA 69 HB1 ALA 69 27.309 -11.167 -23.759 507 HB2 ALA 69 HB2 ALA 69 26.110 -12.488 -23.725 508 HB3 ALA 69 HB3 ALA 69 25.587 -10.789 -23.559 509 H ALA 70 H ALA 70 28.839 -10.371 -21.660 510 HA ALA 70 HA ALA 70 28.205 -8.397 -19.684 511 HB1 ALA 70 HB1 ALA 70 30.316 -7.325 -20.472 512 HB2 ALA 70 HB2 ALA 70 30.535 -9.048 -20.302 513 HB3 ALA 70 HB3 ALA 70 30.326 -8.352 -21.920 514 H GLY 71 H GLY 71 27.504 -6.190 -19.940 515 HA2 GLY 71 HA2 GLY 71 27.313 -4.529 -21.989 516 HA3 GLY 71 HA3 GLY 71 26.073 -5.695 -22.469 517 H ASN 72 H ASN 72 24.837 -3.517 -22.324 518 HA ASN 72 HA ASN 72 24.087 -2.736 -19.565 519 HB2 ASN 72 HB2 ASN 72 24.483 -1.068 -21.403 520 HB3 ASN 72 HB3 ASN 72 23.085 -1.736 -22.229 521 HD21 ASN 72 HD21 ASN 72 21.526 -0.269 -22.107 522 HD22 ASN 72 HD22 ASN 72 20.988 0.505 -20.621 523 H TYR 73 H TYR 73 22.290 -3.224 -18.514 524 HA TYR 73 HA TYR 73 20.108 -4.573 -20.069 525 HB2 TYR 73 HB2 TYR 73 21.172 -5.167 -17.270 526 HB3 TYR 73 HB3 TYR 73 19.665 -5.811 -17.946 527 HD1 TYR 73 HD1 TYR 73 23.385 -5.882 -18.574 528 HD2 TYR 73 HD2 TYR 73 19.566 -7.718 -19.281 529 HE1 TYR 73 HE1 TYR 73 24.498 -7.841 -19.717 530 HE2 TYR 73 HE2 TYR 73 20.761 -9.719 -20.335 531 HH TYR 73 HH TYR 73 24.255 -9.795 -20.624 532 H LYS 74 H LYS 74 17.990 -4.274 -19.262 533 HA LYS 74 HA LYS 74 17.646 -2.026 -17.336 534 HB2 LYS 74 HB2 LYS 74 17.360 -1.248 -19.750 535 HB3 LYS 74 HB3 LYS 74 16.102 -2.501 -19.888 536 HG2 LYS 74 HG2 LYS 74 15.017 -0.439 -19.654 537 HG3 LYS 74 HG3 LYS 74 14.813 -1.286 -18.113 538 HD2 LYS 74 HD2 LYS 74 16.645 0.097 -17.159 539 HD3 LYS 74 HD3 LYS 74 16.831 0.923 -18.708 540 HE2 LYS 74 HE2 LYS 74 14.524 1.736 -18.511 541 HE3 LYS 74 HE3 LYS 74 14.392 0.929 -16.937 542 HZ1 LYS 74 HZ1 LYS 74 16.181 2.364 -16.154 543 HZ2 LYS 74 HZ2 LYS 74 14.909 3.284 -16.712 544 HZ3 LYS 74 HZ3 LYS 74 16.283 3.144 -17.602 545 H VAL 75 H VAL 75 16.056 -2.466 -15.835 546 HA VAL 75 HA VAL 75 14.488 -4.985 -16.166 547 HB VAL 75 HB VAL 75 15.522 -3.667 -13.594 548 HG11 VAL 75 HG11 VAL 75 13.319 -4.697 -13.201 549 HG12 VAL 75 HG12 VAL 75 13.855 -6.189 -13.950 550 HG13 VAL 75 HG13 VAL 75 14.532 -5.659 -12.423 551 HG21 VAL 75 HG21 VAL 75 16.934 -5.637 -13.301 552 HG22 VAL 75 HG22 VAL 75 16.291 -6.345 -14.791 553 HG23 VAL 75 HG23 VAL 75 17.274 -4.883 -14.851 554 H VAL 76 H VAL 76 12.354 -4.722 -16.226 555 HA VAL 76 HA VAL 76 11.218 -2.151 -15.102 556 HB VAL 76 HB VAL 76 10.268 -3.697 -17.542 557 HG11 VAL 76 HG11 VAL 76 8.347 -2.767 -16.394 558 HG12 VAL 76 HG12 VAL 76 9.165 -1.181 -16.233 559 HG13 VAL 76 HG13 VAL 76 8.666 -1.784 -17.836 560 HG21 VAL 76 HG21 VAL 76 12.304 -2.421 -18.016 561 HG22 VAL 76 HG22 VAL 76 10.911 -1.674 -18.843 562 HG23 VAL 76 HG23 VAL 76 11.574 -0.954 -17.331 563 H TRP 77 H TRP 77 9.516 -2.493 -13.570 564 HA TRP 77 HA TRP 77 8.422 -5.203 -13.525 565 HB2 TRP 77 HB2 TRP 77 8.801 -5.450 -11.065 566 HB3 TRP 77 HB3 TRP 77 10.287 -5.456 -11.975 567 HD1 TRP 77 HD1 TRP 77 11.925 -3.243 -11.672 568 HE1 TRP 77 HE1 TRP 77 12.142 -1.419 -9.931 569 HE3 TRP 77 HE3 TRP 77 7.486 -4.014 -9.325 570 HZ2 TRP 77 HZ2 TRP 77 10.519 -0.341 -7.869 571 HZ3 TRP 77 HZ3 TRP 77 6.865 -2.515 -7.366 572 HH2 TRP 77 HH2 TRP 77 8.334 -0.627 -6.743 573 H ASN 78 H ASN 78 6.435 -5.481 -12.728 574 HA ASN 78 HA ASN 78 4.945 -3.078 -11.726 575 HB2 ASN 78 HB2 ASN 78 4.010 -5.360 -13.503 576 HB3 ASN 78 HB3 ASN 78 2.913 -4.129 -12.854 577 HD21 ASN 78 HD21 ASN 78 4.214 -5.040 -15.622 578 HD22 ASN 78 HD22 ASN 78 4.469 -3.478 -16.398 579 H ALA 79 H ALA 79 4.210 -3.576 -9.582 580 HA ALA 79 HA ALA 79 3.943 -6.461 -8.905 581 HB1 ALA 79 HB1 ALA 79 5.370 -4.338 -7.258 582 HB2 ALA 79 HB2 ALA 79 4.961 -5.969 -6.689 583 HB3 ALA 79 HB3 ALA 79 6.120 -5.784 -8.024 584 H VAL 80 H VAL 80 2.330 -6.935 -7.356 585 HA VAL 80 HA VAL 80 0.646 -4.609 -6.541 586 HB VAL 80 HB VAL 80 -0.297 -7.488 -7.289 587 HG11 VAL 80 HG11 VAL 80 -2.561 -6.576 -6.979 588 HG12 VAL 80 HG12 VAL 80 -1.638 -6.482 -5.451 589 HG13 VAL 80 HG13 VAL 80 -1.897 -5.028 -6.417 590 HG21 VAL 80 HG21 VAL 80 -0.565 -4.778 -8.725 591 HG22 VAL 80 HG22 VAL 80 0.224 -6.261 -9.331 592 HG23 VAL 80 HG23 VAL 80 -1.564 -6.240 -9.114 593 H SER 81 H SER 81 0.419 -4.490 -4.350 594 HA SER 81 HA SER 81 2.078 -6.278 -2.828 595 HB2 SER 81 HB2 SER 81 1.547 -4.885 -0.957 596 HB3 SER 81 HB3 SER 81 1.966 -3.875 -2.321 597 HG SER 81 HG SER 81 0.173 -3.106 -1.228 598 H VAL 82 H VAL 82 1.276 -7.368 -0.763 599 HA VAL 82 HA VAL 82 -1.086 -8.979 -1.337 600 HB VAL 82 HB VAL 82 -0.798 -9.927 0.905 601 HG11 VAL 82 HG11 VAL 82 0.611 -10.821 -0.901 602 HG12 VAL 82 HG12 VAL 82 1.896 -9.639 -0.532 603 HG13 VAL 82 HG13 VAL 82 1.435 -10.891 0.640 604 HG21 VAL 82 HG21 VAL 82 -0.102 -7.855 2.065 605 HG22 VAL 82 HG22 VAL 82 1.093 -9.106 2.337 606 HG23 VAL 82 HG23 VAL 82 1.426 -7.830 1.167 607 H ASP 83 H ASP 83 -0.593 -5.883 -0.207 608 HA ASP 83 HA ASP 83 -3.143 -5.777 1.301 609 HB2 ASP 83 HB2 ASP 83 -0.916 -4.587 1.943 610 HB3 ASP 83 HB3 ASP 83 -1.226 -3.510 0.569 611 H THR 84 H THR 84 -2.586 -6.152 -1.777 612 HA THR 84 HA THR 84 -3.444 -5.700 -3.724 613 HB THR 84 HB THR 84 -5.739 -4.893 -4.030 614 HG1 THR 84 HG1 THR 84 -5.341 -3.907 -1.378 615 HG21 THR 84 HG21 THR 84 -5.597 -6.462 -1.374 616 HG22 THR 84 HG22 THR 84 -5.364 -7.186 -2.993 617 HG23 THR 84 HG23 THR 84 -6.929 -6.465 -2.545 618 H HIS 85 H HIS 85 -2.169 -3.069 -2.148 619 HA HIS 85 HA HIS 85 -2.833 -0.889 -3.975 620 HB2 HIS 85 HB2 HIS 85 -1.784 -0.564 -1.719 621 HB3 HIS 85 HB3 HIS 85 -0.299 -1.407 -2.321 622 HD1 HIS 85 HD1 HIS 85 -2.219 1.856 -2.774 623 HD2 HIS 85 HD2 HIS 85 1.466 0.106 -3.689 624 HE1 HIS 85 HE1 HIS 85 -0.710 3.673 -3.622 625 H LYS 86 H LYS 86 -1.704 -0.204 -5.865 626 HA LYS 86 HA LYS 86 0.033 -2.269 -7.117 627 HB2 LYS 86 HB2 LYS 86 -1.557 -0.071 -8.342 628 HB3 LYS 86 HB3 LYS 86 -0.572 -1.243 -9.222 629 HG2 LYS 86 HG2 LYS 86 -1.979 -3.081 -8.289 630 HG3 LYS 86 HG3 LYS 86 -3.052 -1.883 -7.578 631 HD2 LYS 86 HD2 LYS 86 -2.489 -2.150 -10.616 632 HD3 LYS 86 HD3 LYS 86 -3.838 -2.886 -9.744 633 HE2 LYS 86 HE2 LYS 86 -4.743 -0.999 -10.769 634 HE3 LYS 86 HE3 LYS 86 -4.670 -0.622 -9.067 635 HZ1 LYS 86 HZ1 LYS 86 -2.563 0.647 -9.559 636 HZ2 LYS 86 HZ2 LYS 86 -3.961 1.288 -10.177 637 HZ3 LYS 86 HZ3 LYS 86 -2.910 0.461 -11.172 638 H SER 87 H SER 87 2.059 -1.809 -7.995 639 HA SER 87 HA SER 87 3.004 0.978 -7.826 640 HB2 SER 87 HB2 SER 87 3.388 0.119 -5.537 641 HB3 SER 87 HB3 SER 87 4.219 -1.310 -6.197 642 HG SER 87 HG SER 87 5.675 0.426 -5.523 643 H ASN 88 H ASN 88 5.098 1.248 -8.999 644 HA ASN 88 HA ASN 88 6.072 -1.117 -10.390 645 HB2 ASN 88 HB2 ASN 88 5.765 -0.220 -12.659 646 HB3 ASN 88 HB3 ASN 88 4.206 -0.381 -11.858 647 HD21 ASN 88 HD21 ASN 88 5.580 1.418 -14.042 648 HD22 ASN 88 HD22 ASN 88 5.035 3.013 -13.585 649 H GLY 89 H GLY 89 7.995 -0.582 -11.782 650 HA2 GLY 89 HA2 GLY 89 9.180 2.009 -11.675 651 HA3 GLY 89 HA3 GLY 89 9.825 1.031 -10.366 652 H GLU 90 H GLU 90 11.644 1.852 -12.105 653 HA GLU 90 HA GLU 90 12.482 -0.607 -13.473 654 HB2 GLU 90 HB2 GLU 90 12.824 0.427 -15.596 655 HB3 GLU 90 HB3 GLU 90 11.146 0.593 -15.187 656 HG2 GLU 90 HG2 GLU 90 13.164 2.806 -14.915 657 HG3 GLU 90 HG3 GLU 90 12.115 2.572 -16.303 658 H TYR 91 H TYR 91 14.714 -0.654 -13.908 659 HA TYR 91 HA TYR 91 16.382 1.704 -13.369 660 HB2 TYR 91 HB2 TYR 91 17.726 0.638 -11.627 661 HB3 TYR 91 HB3 TYR 91 16.067 0.892 -11.085 662 HD1 TYR 91 HD1 TYR 91 18.659 -1.608 -11.988 663 HD2 TYR 91 HD2 TYR 91 14.564 -1.083 -10.652 664 HE1 TYR 91 HE1 TYR 91 18.598 -3.974 -11.329 665 HE2 TYR 91 HE2 TYR 91 14.513 -3.544 -10.019 666 HH TYR 91 HH TYR 91 15.709 -5.453 -9.798 667 H SER 92 H SER 92 18.765 1.137 -13.856 668 HA SER 92 HA SER 92 18.917 -1.263 -15.647 669 HB2 SER 92 HB2 SER 92 20.284 0.001 -17.187 670 HB3 SER 92 HB3 SER 92 18.793 0.925 -16.947 671 HG SER 92 HG SER 92 20.616 2.235 -16.867 672 H PHE 93 H PHE 93 21.093 -2.060 -15.974 673 HA PHE 93 HA PHE 93 23.168 -1.330 -14.055 674 HB2 PHE 93 HB2 PHE 93 23.337 -3.394 -12.839 675 HB3 PHE 93 HB3 PHE 93 21.653 -2.816 -12.663 676 HD1 PHE 93 HD1 PHE 93 19.817 -4.022 -13.846 677 HD2 PHE 93 HD2 PHE 93 23.876 -5.458 -14.003 678 HE1 PHE 93 HE1 PHE 93 19.032 -6.265 -14.766 679 HE2 PHE 93 HE2 PHE 93 23.074 -7.621 -14.926 680 HZ PHE 93 HZ PHE 93 20.712 -8.018 -15.298 681 H LYS 94 H LYS 94 25.164 -2.898 -14.361 682 HA LYS 94 HA LYS 94 25.176 -3.707 -17.224 683 HB2 LYS 94 HB2 LYS 94 26.227 -1.457 -16.707 684 HB3 LYS 94 HB3 LYS 94 27.376 -2.305 -15.646 685 HG2 LYS 94 HG2 LYS 94 28.303 -3.480 -17.619 686 HG3 LYS 94 HG3 LYS 94 27.140 -2.624 -18.675 687 HD2 LYS 94 HD2 LYS 94 28.017 -0.422 -17.856 688 HD3 LYS 94 HD3 LYS 94 29.271 -1.279 -16.919 689 HE2 LYS 94 HE2 LYS 94 30.141 -2.299 -19.104 690 HE3 LYS 94 HE3 LYS 94 28.862 -1.400 -19.965 691 HZ1 LYS 94 HZ1 LYS 94 30.830 -0.202 -20.183 692 HZ2 LYS 94 HZ2 LYS 94 31.149 -0.206 -18.546 693 HZ3 LYS 94 HZ3 LYS 94 29.851 0.677 -19.136 694 H VAL 95 H VAL 95 25.894 -5.705 -17.670 695 HA VAL 95 HA VAL 95 27.005 -7.316 -15.389 696 HB VAL 95 HB VAL 95 26.265 -8.098 -18.250 697 HG11 VAL 95 HG11 VAL 95 27.989 -9.649 -17.515 698 HG12 VAL 95 HG12 VAL 95 27.226 -9.813 -15.926 699 HG13 VAL 95 HG13 VAL 95 26.402 -10.440 -17.391 700 HG21 VAL 95 HG21 VAL 95 24.381 -9.287 -17.183 701 HG22 VAL 95 HG22 VAL 95 24.894 -8.727 -15.554 702 HG23 VAL 95 HG23 VAL 95 24.310 -7.561 -16.727 703 H GLY 96 H GLY 96 29.122 -7.792 -15.208 704 HA2 GLY 96 HA2 GLY 96 30.922 -7.352 -17.539 705 HA3 GLY 96 HA3 GLY 96 31.279 -6.641 -15.929 706 H GLN 97 H GLN 97 29.946 -9.818 -16.941 707 HA GLN 97 HA GLN 97 31.315 -11.221 -14.880 708 HB2 GLN 97 HB2 GLN 97 29.292 -12.071 -16.139 709 HB3 GLN 97 HB3 GLN 97 30.342 -12.365 -17.531 710 HG2 GLN 97 HG2 GLN 97 31.649 -13.974 -16.173 711 HG3 GLN 97 HG3 GLN 97 30.652 -13.608 -14.753 712 HE21 GLN 97 HE21 GLN 97 31.161 -15.775 -17.040 713 HE22 GLN 97 HE22 GLN 97 29.604 -16.514 -17.197 Start of MODEL 10 1 H1 HIS 1 H1 HIS 1 1.935 2.293 1.551 2 H2 HIS 1 H2 HIS 1 2.961 1.083 1.966 3 H3 HIS 1 H3 HIS 1 3.563 2.441 1.254 4 HA HIS 1 HA HIS 1 1.781 0.434 -0.001 5 HB2 HIS 1 HB2 HIS 1 3.082 2.900 -1.203 6 HB3 HIS 1 HB3 HIS 1 2.068 1.732 -2.065 7 HD1 HIS 1 HD1 HIS 1 1.847 4.563 0.502 8 HD2 HIS 1 HD2 HIS 1 -0.637 2.001 -1.705 9 HE1 HIS 1 HE1 HIS 1 -0.481 5.511 0.596 10 H ALA 2 H ALA 2 2.918 -0.712 -1.826 11 HA ALA 2 HA ALA 2 5.411 -1.747 -0.822 12 HB1 ALA 2 HB1 ALA 2 3.701 -3.110 -2.106 13 HB2 ALA 2 HB2 ALA 2 4.123 -2.231 -3.574 14 HB3 ALA 2 HB3 ALA 2 5.324 -3.229 -2.741 15 H HIS 3 H HIS 3 7.286 -0.720 -0.959 16 HA HIS 3 HA HIS 3 8.058 0.429 -3.616 17 HB2 HIS 3 HB2 HIS 3 8.766 1.589 -0.873 18 HB3 HIS 3 HB3 HIS 3 9.368 2.151 -2.488 19 HD1 HIS 3 HD1 HIS 3 7.358 3.015 -4.186 20 HD2 HIS 3 HD2 HIS 3 6.471 2.812 -0.103 21 HE1 HIS 3 HE1 HIS 3 5.299 4.429 -3.769 22 H LEU 4 H LEU 4 10.312 0.215 -4.102 23 HA LEU 4 HA LEU 4 11.521 -2.218 -3.159 24 HB2 LEU 4 HB2 LEU 4 11.801 -1.245 -5.469 25 HB3 LEU 4 HB3 LEU 4 12.666 0.051 -4.778 26 HG LEU 4 HG LEU 4 14.466 -1.539 -4.097 27 HD11 LEU 4 HD11 LEU 4 12.824 -3.536 -5.715 28 HD12 LEU 4 HD12 LEU 4 13.159 -3.599 -3.956 29 HD13 LEU 4 HD13 LEU 4 14.486 -3.795 -5.152 30 HD21 LEU 4 HD21 LEU 4 15.257 -1.924 -6.427 31 HD22 LEU 4 HD22 LEU 4 14.561 -0.283 -6.162 32 HD23 LEU 4 HD23 LEU 4 13.610 -1.509 -7.012 33 H LYS 5 H LYS 5 13.000 -2.495 -1.494 34 HA LYS 5 HA LYS 5 14.135 -0.012 -0.264 35 HB2 LYS 5 HB2 LYS 5 13.808 -2.778 0.933 36 HB3 LYS 5 HB3 LYS 5 14.603 -1.402 1.730 37 HG2 LYS 5 HG2 LYS 5 12.448 -0.166 1.747 38 HG3 LYS 5 HG3 LYS 5 11.692 -1.583 0.953 39 HD2 LYS 5 HD2 LYS 5 11.232 -1.775 3.286 40 HD3 LYS 5 HD3 LYS 5 12.380 -3.064 2.829 41 HE2 LYS 5 HE2 LYS 5 14.245 -1.672 3.768 42 HE3 LYS 5 HE3 LYS 5 13.030 -0.390 4.178 43 HZ1 LYS 5 HZ1 LYS 5 13.651 -1.756 6.067 44 HZ2 LYS 5 HZ2 LYS 5 13.088 -3.138 5.317 45 HZ3 LYS 5 HZ3 LYS 5 12.023 -1.884 5.726 46 H SER 6 H SER 6 14.975 -3.192 -1.637 47 HA SER 6 HA SER 6 17.821 -2.426 -1.714 48 HB2 SER 6 HB2 SER 6 17.645 -3.322 0.562 49 HB3 SER 6 HB3 SER 6 16.840 -4.782 -0.059 50 HG SER 6 HG SER 6 19.501 -3.973 -0.206 51 H ALA 7 H ALA 7 18.983 -3.949 -3.078 52 HA ALA 7 HA ALA 7 17.469 -5.981 -4.512 53 HB1 ALA 7 HB1 ALA 7 16.916 -3.673 -5.561 54 HB2 ALA 7 HB2 ALA 7 18.586 -3.751 -6.194 55 HB3 ALA 7 HB3 ALA 7 17.396 -4.996 -6.637 56 H THR 8 H THR 8 18.534 -7.037 -6.196 57 HA THR 8 HA THR 8 21.380 -7.724 -5.617 58 HB THR 8 HB THR 8 19.270 -8.835 -7.596 59 HG1 THR 8 HG1 THR 8 18.618 -9.006 -5.408 60 HG21 THR 8 HG21 THR 8 21.276 -9.726 -8.279 61 HG22 THR 8 HG22 THR 8 20.566 -10.961 -7.235 62 HG23 THR 8 HG23 THR 8 21.866 -9.937 -6.578 63 HA PRO 9 HA PRO 9 23.532 -5.287 -8.843 64 HB2 PRO 9 HB2 PRO 9 21.811 -6.388 -11.024 65 HB3 PRO 9 HB3 PRO 9 23.573 -6.083 -10.895 66 HG2 PRO 9 HG2 PRO 9 22.068 -8.587 -9.894 67 HG3 PRO 9 HG3 PRO 9 23.846 -8.459 -10.152 68 HD2 PRO 9 HD2 PRO 9 22.909 -8.455 -7.594 69 HD3 PRO 9 HD3 PRO 9 24.126 -7.243 -8.054 70 H ALA 10 H ALA 10 22.669 -3.731 -7.514 71 HA ALA 10 HA ALA 10 20.288 -2.298 -7.934 72 HB1 ALA 10 HB1 ALA 10 22.911 -1.474 -6.618 73 HB2 ALA 10 HB2 ALA 10 21.410 -0.561 -6.563 74 HB3 ALA 10 HB3 ALA 10 21.462 -2.132 -5.826 75 H ALA 11 H ALA 11 20.230 0.054 -8.524 76 HA ALA 11 HA ALA 11 20.916 0.283 -11.199 77 HB1 ALA 11 HB1 ALA 11 19.167 1.597 -9.874 78 HB2 ALA 11 HB2 ALA 11 20.518 2.609 -9.379 79 HB3 ALA 11 HB3 ALA 11 20.082 2.527 -11.105 80 H ASP 12 H ASP 12 22.416 1.184 -12.385 81 HA ASP 12 HA ASP 12 24.387 1.912 -13.145 82 HB2 ASP 12 HB2 ASP 12 24.635 3.368 -10.492 83 HB3 ASP 12 HB3 ASP 12 25.607 3.699 -11.911 84 H SER 13 H SER 13 24.274 -0.448 -10.999 85 HA SER 13 HA SER 13 27.080 -0.527 -10.133 86 HB2 SER 13 HB2 SER 13 24.948 -2.686 -10.107 87 HB3 SER 13 HB3 SER 13 26.525 -2.736 -9.293 88 HG SER 13 HG SER 13 24.271 -1.174 -8.724 89 H THR 14 H THR 14 28.686 -2.077 -10.764 90 HA THR 14 HA THR 14 28.113 -3.486 -13.358 91 HB THR 14 HB THR 14 30.816 -2.385 -12.574 92 HG1 THR 14 HG1 THR 14 30.435 -0.874 -14.210 93 HG21 THR 14 HG21 THR 14 30.943 -4.367 -13.978 94 HG22 THR 14 HG22 THR 14 31.347 -2.918 -14.928 95 HG23 THR 14 HG23 THR 14 29.736 -3.680 -15.105 96 H VAL 15 H VAL 15 27.870 -5.625 -12.833 97 HA VAL 15 HA VAL 15 29.836 -6.831 -10.942 98 HB VAL 15 HB VAL 15 27.974 -8.128 -9.906 99 HG11 VAL 15 HG11 VAL 15 27.573 -5.074 -9.715 100 HG12 VAL 15 HG12 VAL 15 27.036 -6.256 -8.511 101 HG13 VAL 15 HG13 VAL 15 28.763 -6.027 -8.814 102 HG21 VAL 15 HG21 VAL 15 26.140 -6.325 -11.534 103 HG22 VAL 15 HG22 VAL 15 26.326 -8.101 -11.679 104 HG23 VAL 15 HG23 VAL 15 25.665 -7.364 -10.204 105 H ALA 16 H ALA 16 29.713 -9.318 -11.054 106 HA ALA 16 HA ALA 16 29.752 -10.295 -13.790 107 HB1 ALA 16 HB1 ALA 16 29.666 -11.730 -11.120 108 HB2 ALA 16 HB2 ALA 16 30.056 -12.459 -12.694 109 HB3 ALA 16 HB3 ALA 16 31.145 -11.250 -11.945 110 H ALA 17 H ALA 17 28.246 -12.037 -14.631 111 HA ALA 17 HA ALA 17 25.565 -11.107 -14.291 112 HB1 ALA 17 HB1 ALA 17 24.914 -13.222 -15.496 113 HB2 ALA 17 HB2 ALA 17 26.089 -12.146 -16.339 114 HB3 ALA 17 HB3 ALA 17 26.660 -13.626 -15.542 115 HA PRO 18 HA PRO 18 24.685 -13.306 -10.549 116 HB2 PRO 18 HB2 PRO 18 22.106 -12.583 -10.186 117 HB3 PRO 18 HB3 PRO 18 23.427 -11.399 -9.989 118 HG2 PRO 18 HG2 PRO 18 21.692 -11.963 -12.405 119 HG3 PRO 18 HG3 PRO 18 21.976 -10.382 -11.601 120 HD2 PRO 18 HD2 PRO 18 23.353 -11.111 -13.763 121 HD3 PRO 18 HD3 PRO 18 24.165 -10.233 -12.419 122 H ALA 19 H ALA 19 23.449 -15.256 -9.839 123 HA ALA 19 HA ALA 19 22.704 -16.944 -12.072 124 HB1 ALA 19 HB1 ALA 19 23.671 -17.872 -9.899 125 HB2 ALA 19 HB2 ALA 19 22.204 -17.369 -9.051 126 HB3 ALA 19 HB3 ALA 19 22.120 -18.612 -10.301 127 H ASP 20 H ASP 20 21.001 -15.004 -9.625 128 HA ASP 20 HA ASP 20 18.565 -14.927 -11.274 129 HB2 ASP 20 HB2 ASP 20 17.095 -15.575 -9.360 130 HB3 ASP 20 HB3 ASP 20 18.211 -16.891 -9.751 131 H LEU 21 H LEU 21 17.176 -13.086 -10.455 132 HA LEU 21 HA LEU 21 18.923 -11.088 -9.007 133 HB2 LEU 21 HB2 LEU 21 16.618 -10.566 -10.923 134 HB3 LEU 21 HB3 LEU 21 17.585 -9.374 -10.039 135 HG LEU 21 HG LEU 21 19.563 -9.931 -11.382 136 HD11 LEU 21 HD11 LEU 21 19.150 -11.097 -13.600 137 HD12 LEU 21 HD12 LEU 21 17.601 -11.675 -12.990 138 HD13 LEU 21 HD13 LEU 21 19.136 -12.208 -12.258 139 HD21 LEU 21 HD21 LEU 21 17.062 -9.088 -12.856 140 HD22 LEU 21 HD22 LEU 21 18.723 -8.847 -13.481 141 HD23 LEU 21 HD23 LEU 21 18.199 -8.033 -11.960 142 H ARG 22 H ARG 22 18.105 -10.299 -7.067 143 HA ARG 22 HA ARG 22 15.261 -11.046 -6.441 144 HB2 ARG 22 HB2 ARG 22 17.671 -10.895 -4.569 145 HB3 ARG 22 HB3 ARG 22 16.016 -11.197 -4.068 146 HG2 ARG 22 HG2 ARG 22 15.961 -13.234 -5.394 147 HG3 ARG 22 HG3 ARG 22 17.567 -12.907 -6.023 148 HD2 ARG 22 HD2 ARG 22 16.917 -13.344 -3.103 149 HD3 ARG 22 HD3 ARG 22 17.523 -14.611 -4.215 150 HE ARG 22 HE ARG 22 19.287 -12.381 -4.340 151 HH11 ARG 22 HH11 ARG 22 18.372 -14.921 -2.079 152 HH12 ARG 22 HH12 ARG 22 19.906 -14.810 -1.242 153 HH21 ARG 22 HH21 ARG 22 21.177 -12.324 -3.204 154 HH22 ARG 22 HH22 ARG 22 21.503 -13.429 -1.889 155 H LEU 23 H LEU 23 13.990 -9.600 -5.562 156 HA LEU 23 HA LEU 23 15.066 -6.837 -5.078 157 HB2 LEU 23 HB2 LEU 23 12.400 -7.630 -6.270 158 HB3 LEU 23 HB3 LEU 23 12.848 -5.993 -5.804 159 HG LEU 23 HG LEU 23 14.522 -5.938 -7.638 160 HD11 LEU 23 HD11 LEU 23 14.195 -7.556 -9.521 161 HD12 LEU 23 HD12 LEU 23 13.333 -8.645 -8.363 162 HD13 LEU 23 HD13 LEU 23 15.104 -8.217 -8.155 163 HD21 LEU 23 HD21 LEU 23 11.636 -6.596 -8.353 164 HD22 LEU 23 HD22 LEU 23 12.811 -5.637 -9.351 165 HD23 LEU 23 HD23 LEU 23 12.281 -5.023 -7.778 166 H THR 24 H THR 24 14.424 -5.902 -3.126 167 HA THR 24 HA THR 24 12.639 -7.623 -1.426 168 HB THR 24 HB THR 24 14.915 -5.806 -0.493 169 HG1 THR 24 HG1 THR 24 16.008 -7.484 -1.195 170 HG21 THR 24 HG21 THR 24 14.558 -7.061 1.635 171 HG22 THR 24 HG22 THR 24 13.117 -7.802 0.937 172 HG23 THR 24 HG23 THR 24 13.182 -6.060 1.219 173 H PHE 25 H PHE 25 10.776 -6.635 -0.810 174 HA PHE 25 HA PHE 25 10.615 -3.662 -1.187 175 HB2 PHE 25 HB2 PHE 25 8.401 -5.789 -1.387 176 HB3 PHE 25 HB3 PHE 25 8.214 -4.055 -1.660 177 HD1 PHE 25 HD1 PHE 25 9.017 -2.976 -3.679 178 HD2 PHE 25 HD2 PHE 25 9.447 -7.219 -3.053 179 HE1 PHE 25 HE1 PHE 25 9.469 -3.250 -6.108 180 HE2 PHE 25 HE2 PHE 25 9.922 -7.522 -5.506 181 HZ PHE 25 HZ PHE 25 9.868 -5.507 -7.066 182 H SER 26 H SER 26 9.076 -2.490 0.167 183 HA SER 26 HA SER 26 9.377 -3.245 2.961 184 HB2 SER 26 HB2 SER 26 8.143 -1.133 3.365 185 HB3 SER 26 HB3 SER 26 9.406 -0.890 2.127 186 HG SER 26 HG SER 26 7.245 -0.057 1.616 187 H GLU 27 H GLU 27 7.002 -4.069 0.671 188 HA GLU 27 HA GLU 27 5.064 -4.800 2.816 189 HB2 GLU 27 HB2 GLU 27 4.394 -2.739 1.537 190 HB3 GLU 27 HB3 GLU 27 4.539 -3.684 0.049 191 HG2 GLU 27 HG2 GLU 27 2.277 -3.551 0.431 192 HG3 GLU 27 HG3 GLU 27 2.669 -5.170 1.007 193 H GLY 28 H GLY 28 4.032 -6.866 2.402 194 HA2 GLY 28 HA2 GLY 28 5.610 -8.657 0.833 195 HA3 GLY 28 HA3 GLY 28 4.035 -9.029 1.590 196 H VAL 29 H VAL 29 5.239 -9.550 -1.263 197 HA VAL 29 HA VAL 29 3.022 -8.202 -2.768 198 HB VAL 29 HB VAL 29 4.499 -8.190 -4.755 199 HG11 VAL 29 HG11 VAL 29 4.386 -6.151 -3.561 200 HG12 VAL 29 HG12 VAL 29 5.495 -6.693 -2.297 201 HG13 VAL 29 HG13 VAL 29 6.137 -6.360 -3.930 202 HG21 VAL 29 HG21 VAL 29 6.652 -9.182 -2.835 203 HG22 VAL 29 HG22 VAL 29 5.956 -10.082 -4.250 204 HG23 VAL 29 HG23 VAL 29 6.923 -8.616 -4.500 205 H GLU 30 H GLU 30 2.223 -9.403 -4.577 206 HA GLU 30 HA GLU 30 2.126 -12.273 -3.913 207 HB2 GLU 30 HB2 GLU 30 0.544 -10.511 -5.832 208 HB3 GLU 30 HB3 GLU 30 0.249 -12.243 -5.661 209 HG2 GLU 30 HG2 GLU 30 0.168 -10.476 -3.238 210 HG3 GLU 30 HG3 GLU 30 -1.222 -10.510 -4.388 211 H ALA 31 H ALA 31 3.190 -13.787 -5.182 212 HA ALA 31 HA ALA 31 4.964 -12.859 -7.226 213 HB1 ALA 31 HB1 ALA 31 5.354 -14.849 -5.710 214 HB2 ALA 31 HB2 ALA 31 4.191 -15.713 -6.715 215 HB3 ALA 31 HB3 ALA 31 5.687 -15.128 -7.409 216 H THR 32 H THR 32 1.736 -14.082 -7.164 217 HA THR 32 HA THR 32 1.632 -14.994 -9.858 218 HB THR 32 HB THR 32 -0.838 -15.026 -9.469 219 HG1 THR 32 HG1 THR 32 -1.394 -14.254 -7.211 220 HG21 THR 32 HG21 THR 32 0.692 -15.904 -7.011 221 HG22 THR 32 HG22 THR 32 0.494 -16.872 -8.485 222 HG23 THR 32 HG23 THR 32 -0.891 -16.449 -7.500 223 H PHE 33 H PHE 33 1.183 -11.792 -8.402 224 HA PHE 33 HA PHE 33 0.156 -10.811 -11.029 225 HB2 PHE 33 HB2 PHE 33 -0.071 -9.464 -8.339 226 HB3 PHE 33 HB3 PHE 33 -0.755 -8.862 -9.852 227 HD1 PHE 33 HD1 PHE 33 -2.493 -10.356 -11.033 228 HD2 PHE 33 HD2 PHE 33 -1.327 -10.861 -6.921 229 HE1 PHE 33 HE1 PHE 33 -4.592 -11.642 -10.621 230 HE2 PHE 33 HE2 PHE 33 -3.379 -12.198 -6.517 231 HZ PHE 33 HZ PHE 33 -5.023 -12.541 -8.356 232 H THR 34 H THR 34 3.031 -10.940 -9.335 233 HA THR 34 HA THR 34 3.991 -8.248 -9.982 234 HB THR 34 HB THR 34 5.543 -10.814 -9.323 235 HG1 THR 34 HG1 THR 34 4.357 -10.207 -7.500 236 HG21 THR 34 HG21 THR 34 6.440 -7.899 -9.330 237 HG22 THR 34 HG22 THR 34 7.012 -9.212 -10.389 238 HG23 THR 34 HG23 THR 34 7.350 -9.219 -8.634 239 H LYS 35 H LYS 35 4.990 -7.660 -11.953 240 HA LYS 35 HA LYS 35 5.373 -9.854 -13.875 241 HB2 LYS 35 HB2 LYS 35 3.318 -8.326 -14.213 242 HB3 LYS 35 HB3 LYS 35 4.478 -7.147 -14.789 243 HG2 LYS 35 HG2 LYS 35 3.615 -8.209 -16.687 244 HG3 LYS 35 HG3 LYS 35 5.157 -9.033 -16.436 245 HD2 LYS 35 HD2 LYS 35 3.925 -10.828 -15.198 246 HD3 LYS 35 HD3 LYS 35 2.409 -9.956 -15.515 247 HE2 LYS 35 HE2 LYS 35 2.568 -11.742 -17.086 248 HE3 LYS 35 HE3 LYS 35 2.818 -10.226 -17.983 249 HZ1 LYS 35 HZ1 LYS 35 4.369 -11.984 -18.593 250 HZ2 LYS 35 HZ2 LYS 35 4.995 -11.988 -17.075 251 HZ3 LYS 35 HZ3 LYS 35 5.142 -10.651 -18.013 252 H VAL 36 H VAL 36 7.430 -9.864 -14.903 253 HA VAL 36 HA VAL 36 9.113 -7.461 -14.527 254 HB VAL 36 HB VAL 36 9.938 -10.345 -14.000 255 HG11 VAL 36 HG11 VAL 36 11.815 -9.039 -15.004 256 HG12 VAL 36 HG12 VAL 36 11.499 -7.690 -13.859 257 HG13 VAL 36 HG13 VAL 36 12.092 -9.261 -13.263 258 HG21 VAL 36 HG21 VAL 36 10.229 -9.568 -11.641 259 HG22 VAL 36 HG22 VAL 36 9.537 -7.983 -12.075 260 HG23 VAL 36 HG23 VAL 36 8.548 -9.474 -12.150 261 H SER 37 H SER 37 10.438 -6.882 -16.149 262 HA SER 37 HA SER 37 10.783 -8.730 -18.389 263 HB2 SER 37 HB2 SER 37 8.947 -7.217 -19.052 264 HB3 SER 37 HB3 SER 37 9.980 -5.822 -18.710 265 HG SER 37 HG SER 37 9.841 -6.856 -21.011 266 H LEU 38 H LEU 38 12.707 -8.614 -19.335 267 HA LEU 38 HA LEU 38 14.680 -6.777 -18.133 268 HB2 LEU 38 HB2 LEU 38 14.862 -9.104 -17.211 269 HB3 LEU 38 HB3 LEU 38 14.976 -9.718 -18.862 270 HG LEU 38 HG LEU 38 17.208 -8.640 -19.113 271 HD11 LEU 38 HD11 LEU 38 18.388 -7.903 -17.090 272 HD12 LEU 38 HD12 LEU 38 16.894 -8.005 -16.148 273 HD13 LEU 38 HD13 LEU 38 17.055 -6.833 -17.458 274 HD21 LEU 38 HD21 LEU 38 18.348 -10.247 -17.690 275 HD22 LEU 38 HD22 LEU 38 16.926 -10.969 -18.430 276 HD23 LEU 38 HD23 LEU 38 16.858 -10.486 -16.742 277 H SER 39 H SER 39 16.220 -5.940 -19.684 278 HA SER 39 HA SER 39 15.933 -7.040 -22.444 279 HB2 SER 39 HB2 SER 39 14.354 -5.148 -22.257 280 HB3 SER 39 HB3 SER 39 15.658 -4.062 -21.734 281 HG SER 39 HG SER 39 14.880 -4.518 -24.169 282 H LYS 40 H LYS 40 17.653 -6.995 -23.642 283 HA LYS 40 HA LYS 40 20.277 -6.028 -22.462 284 HB2 LYS 40 HB2 LYS 40 19.985 -8.478 -22.856 285 HB3 LYS 40 HB3 LYS 40 19.704 -8.176 -24.564 286 HG2 LYS 40 HG2 LYS 40 21.963 -7.208 -24.810 287 HG3 LYS 40 HG3 LYS 40 22.274 -7.623 -23.100 288 HD2 LYS 40 HD2 LYS 40 21.776 -9.954 -23.587 289 HD3 LYS 40 HD3 LYS 40 21.503 -9.558 -25.297 290 HE2 LYS 40 HE2 LYS 40 23.819 -8.777 -25.459 291 HE3 LYS 40 HE3 LYS 40 24.080 -9.281 -23.737 292 HZ1 LYS 40 HZ1 LYS 40 23.221 -11.102 -25.924 293 HZ2 LYS 40 HZ2 LYS 40 23.593 -11.530 -24.375 294 HZ3 LYS 40 HZ3 LYS 40 24.756 -10.964 -25.396 295 H ASP 41 H ASP 41 20.649 -4.008 -23.363 296 HA ASP 41 HA ASP 41 21.063 -2.454 -24.973 297 HB2 ASP 41 HB2 ASP 41 22.618 -4.342 -25.743 298 HB3 ASP 41 HB3 ASP 41 21.379 -4.674 -26.983 299 H GLY 42 H GLY 42 18.256 -3.200 -24.572 300 HA2 GLY 42 HA2 GLY 42 16.281 -2.330 -25.552 301 HA3 GLY 42 HA3 GLY 42 17.183 -2.056 -27.050 302 H THR 43 H THR 43 17.512 -5.310 -25.829 303 HA THR 43 HA THR 43 15.281 -6.194 -27.651 304 HB THR 43 HB THR 43 17.975 -7.588 -27.158 305 HG1 THR 43 HG1 THR 43 17.058 -5.929 -29.240 306 HG21 THR 43 HG21 THR 43 17.328 -9.093 -29.006 307 HG22 THR 43 HG22 THR 43 15.785 -8.190 -29.151 308 HG23 THR 43 HG23 THR 43 16.101 -9.142 -27.704 309 H GLU 44 H GLU 44 13.755 -7.421 -26.545 310 HA GLU 44 HA GLU 44 13.930 -7.718 -23.763 311 HB2 GLU 44 HB2 GLU 44 11.793 -7.617 -25.136 312 HB3 GLU 44 HB3 GLU 44 12.162 -9.272 -25.691 313 HG2 GLU 44 HG2 GLU 44 12.065 -10.099 -23.396 314 HG3 GLU 44 HG3 GLU 44 11.627 -8.469 -22.819 315 H VAL 45 H VAL 45 14.409 -9.398 -22.353 316 HA VAL 45 HA VAL 45 15.573 -11.936 -23.562 317 HB VAL 45 HB VAL 45 16.308 -10.481 -20.901 318 HG11 VAL 45 HG11 VAL 45 16.448 -12.939 -20.690 319 HG12 VAL 45 HG12 VAL 45 17.476 -13.010 -22.141 320 HG13 VAL 45 HG13 VAL 45 18.069 -12.203 -20.699 321 HG21 VAL 45 HG21 VAL 45 18.484 -10.027 -21.885 322 HG22 VAL 45 HG22 VAL 45 18.042 -10.905 -23.385 323 HG23 VAL 45 HG23 VAL 45 17.252 -9.356 -22.951 324 H ALA 46 H ALA 46 14.635 -13.766 -22.904 325 HA ALA 46 HA ALA 46 12.103 -13.629 -21.627 326 HB1 ALA 46 HB1 ALA 46 12.562 -15.260 -23.319 327 HB2 ALA 46 HB2 ALA 46 13.874 -15.968 -22.388 328 HB3 ALA 46 HB3 ALA 46 12.207 -16.168 -21.843 329 H ILE 47 H ILE 47 11.292 -14.448 -19.753 330 HA ILE 47 HA ILE 47 13.234 -14.740 -17.527 331 HB ILE 47 HB ILE 47 10.265 -13.880 -17.430 332 HG12 ILE 47 HG12 ILE 47 11.671 -12.081 -18.389 333 HG13 ILE 47 HG13 ILE 47 11.070 -11.674 -16.805 334 HG21 ILE 47 HG21 ILE 47 12.329 -14.208 -15.218 335 HG22 ILE 47 HG22 ILE 47 10.811 -13.291 -15.051 336 HG23 ILE 47 HG23 ILE 47 10.710 -15.030 -15.393 337 HD11 ILE 47 HD11 ILE 47 13.324 -12.274 -15.840 338 HD12 ILE 47 HD12 ILE 47 13.918 -12.574 -17.496 339 HD13 ILE 47 HD13 ILE 47 13.373 -10.945 -16.985 340 H LYS 48 H LYS 48 13.342 -16.823 -16.606 341 HA LYS 48 HA LYS 48 11.648 -18.845 -17.861 342 HB2 LYS 48 HB2 LYS 48 14.041 -19.151 -17.182 343 HB3 LYS 48 HB3 LYS 48 13.577 -19.156 -15.497 344 HG2 LYS 48 HG2 LYS 48 12.251 -21.194 -15.881 345 HG3 LYS 48 HG3 LYS 48 12.604 -21.115 -17.590 346 HD2 LYS 48 HD2 LYS 48 14.045 -22.781 -16.710 347 HD3 LYS 48 HD3 LYS 48 15.038 -21.383 -17.090 348 HE2 LYS 48 HE2 LYS 48 15.092 -20.691 -14.747 349 HE3 LYS 48 HE3 LYS 48 14.108 -22.104 -14.321 350 HZ1 LYS 48 HZ1 LYS 48 15.914 -23.513 -15.346 351 HZ2 LYS 48 HZ2 LYS 48 16.448 -22.632 -14.021 352 HZ3 LYS 48 HZ3 LYS 48 16.840 -22.130 -15.552 353 H GLY 49 H GLY 49 11.701 -17.084 -14.731 354 HA2 GLY 49 HA2 GLY 49 8.947 -17.435 -14.255 355 HA3 GLY 49 HA3 GLY 49 9.771 -18.750 -13.396 356 H LEU 50 H LEU 50 8.526 -17.239 -11.729 357 HA LEU 50 HA LEU 50 10.620 -15.727 -10.357 358 HB2 LEU 50 HB2 LEU 50 9.367 -13.771 -9.909 359 HB3 LEU 50 HB3 LEU 50 9.495 -13.936 -11.651 360 HG LEU 50 HG LEU 50 6.989 -14.555 -10.040 361 HD11 LEU 50 HD11 LEU 50 7.799 -12.099 -11.618 362 HD12 LEU 50 HD12 LEU 50 7.484 -12.213 -9.862 363 HD13 LEU 50 HD13 LEU 50 6.161 -12.436 -11.037 364 HD21 LEU 50 HD21 LEU 50 5.821 -14.441 -12.187 365 HD22 LEU 50 HD22 LEU 50 6.977 -15.779 -12.178 366 HD23 LEU 50 HD23 LEU 50 7.364 -14.238 -13.047 367 H GLU 51 H GLU 51 10.211 -15.596 -8.060 368 HA GLU 51 HA GLU 51 7.792 -17.026 -7.062 369 HB2 GLU 51 HB2 GLU 51 9.021 -18.828 -6.054 370 HB3 GLU 51 HB3 GLU 51 9.360 -18.780 -7.779 371 HG2 GLU 51 HG2 GLU 51 11.554 -17.644 -7.328 372 HG3 GLU 51 HG3 GLU 51 11.240 -17.780 -5.606 373 H THR 52 H THR 52 7.749 -17.209 -4.691 374 HA THR 52 HA THR 52 9.601 -15.311 -3.247 375 HB THR 52 HB THR 52 7.528 -14.689 -1.834 376 HG1 THR 52 HG1 THR 52 6.335 -16.594 -2.453 377 HG21 THR 52 HG21 THR 52 8.120 -13.130 -3.547 378 HG22 THR 52 HG22 THR 52 6.337 -13.276 -3.462 379 HG23 THR 52 HG23 THR 52 7.199 -14.084 -4.760 380 HA PRO 53 HA PRO 53 9.281 -19.382 -1.248 381 HB2 PRO 53 HB2 PRO 53 11.788 -19.576 -0.147 382 HB3 PRO 53 HB3 PRO 53 11.440 -19.920 -1.868 383 HG2 PRO 53 HG2 PRO 53 12.479 -17.424 -0.481 384 HG3 PRO 53 HG3 PRO 53 13.173 -18.282 -1.896 385 HD2 PRO 53 HD2 PRO 53 11.596 -16.082 -2.188 386 HD3 PRO 53 HD3 PRO 53 11.490 -17.396 -3.395 387 H ASP 54 H ASP 54 10.266 -16.238 0.107 388 HA ASP 54 HA ASP 54 10.269 -17.025 2.857 389 HB2 ASP 54 HB2 ASP 54 11.304 -15.099 1.676 390 HB3 ASP 54 HB3 ASP 54 9.710 -14.267 1.694 391 H ALA 55 H ALA 55 8.647 -16.935 4.449 392 HA ALA 55 HA ALA 55 5.886 -17.134 3.644 393 HB1 ALA 55 HB1 ALA 55 6.781 -18.131 5.749 394 HB2 ALA 55 HB2 ALA 55 7.087 -16.512 6.391 395 HB3 ALA 55 HB3 ALA 55 5.405 -17.034 6.036 396 H ASP 56 H ASP 56 7.906 -14.390 4.775 397 HA ASP 56 HA ASP 56 5.849 -12.444 5.173 398 HB2 ASP 56 HB2 ASP 56 8.742 -12.127 4.366 399 HB3 ASP 56 HB3 ASP 56 7.722 -10.773 4.799 400 H LYS 57 H LYS 57 7.513 -13.681 2.363 401 HA LYS 57 HA LYS 57 7.410 -13.380 0.128 402 HB2 LYS 57 HB2 LYS 57 4.692 -12.128 0.692 403 HB3 LYS 57 HB3 LYS 57 5.244 -12.703 -0.891 404 HG2 LYS 57 HG2 LYS 57 5.430 -14.974 0.029 405 HG3 LYS 57 HG3 LYS 57 4.800 -14.354 1.553 406 HD2 LYS 57 HD2 LYS 57 2.731 -13.662 0.482 407 HD3 LYS 57 HD3 LYS 57 3.286 -14.339 -1.069 408 HE2 LYS 57 HE2 LYS 57 1.843 -15.956 0.078 409 HE3 LYS 57 HE3 LYS 57 3.507 -16.563 -0.020 410 HZ1 LYS 57 HZ1 LYS 57 2.613 -17.009 2.138 411 HZ2 LYS 57 HZ2 LYS 57 2.201 -15.419 2.396 412 HZ3 LYS 57 HZ3 LYS 57 3.801 -15.873 2.317 413 H LYS 58 H LYS 58 8.676 -11.301 1.729 414 HA LYS 58 HA LYS 58 8.058 -8.869 0.160 415 HB2 LYS 58 HB2 LYS 58 9.916 -9.201 2.504 416 HB3 LYS 58 HB3 LYS 58 9.690 -7.704 1.597 417 HG2 LYS 58 HG2 LYS 58 7.283 -7.782 2.154 418 HG3 LYS 58 HG3 LYS 58 7.583 -9.176 3.194 419 HD2 LYS 58 HD2 LYS 58 9.171 -7.772 4.515 420 HD3 LYS 58 HD3 LYS 58 8.801 -6.371 3.446 421 HE2 LYS 58 HE2 LYS 58 6.414 -6.591 4.119 422 HE3 LYS 58 HE3 LYS 58 6.794 -7.884 5.221 423 HZ1 LYS 58 HZ1 LYS 58 8.306 -6.269 6.336 424 HZ2 LYS 58 HZ2 LYS 58 6.702 -5.852 6.422 425 HZ3 LYS 58 HZ3 LYS 58 7.709 -5.088 5.361 426 H THR 59 H THR 59 10.349 -11.415 0.429 427 HA THR 59 HA THR 59 12.211 -10.086 -1.478 428 HB THR 59 HB THR 59 12.253 -12.936 -0.319 429 HG1 THR 59 HG1 THR 59 12.596 -10.856 1.015 430 HG21 THR 59 HG21 THR 59 13.545 -12.823 -2.362 431 HG22 THR 59 HG22 THR 59 14.678 -12.937 -0.988 432 HG23 THR 59 HG23 THR 59 14.435 -11.380 -1.782 433 H LEU 60 H LEU 60 12.020 -10.307 -3.636 434 HA LEU 60 HA LEU 60 10.237 -12.456 -4.679 435 HB2 LEU 60 HB2 LEU 60 9.286 -10.199 -4.880 436 HB3 LEU 60 HB3 LEU 60 10.729 -9.700 -5.806 437 HG LEU 60 HG LEU 60 8.719 -9.905 -7.105 438 HD11 LEU 60 HD11 LEU 60 10.954 -10.280 -8.096 439 HD12 LEU 60 HD12 LEU 60 9.573 -10.999 -9.015 440 HD13 LEU 60 HD13 LEU 60 10.636 -12.039 -7.995 441 HD21 LEU 60 HD21 LEU 60 7.735 -11.781 -5.809 442 HD22 LEU 60 HD22 LEU 60 8.828 -12.889 -6.606 443 HD23 LEU 60 HD23 LEU 60 7.656 -12.009 -7.560 444 H VAL 61 H VAL 61 11.244 -13.918 -5.935 445 HA VAL 61 HA VAL 61 14.073 -13.317 -6.738 446 HB VAL 61 HB VAL 61 12.529 -15.904 -6.602 447 HG11 VAL 61 HG11 VAL 61 14.373 -16.088 -8.227 448 HG12 VAL 61 HG12 VAL 61 15.483 -15.503 -7.030 449 HG13 VAL 61 HG13 VAL 61 14.684 -17.058 -6.789 450 HG21 VAL 61 HG21 VAL 61 12.809 -15.047 -4.362 451 HG22 VAL 61 HG22 VAL 61 13.914 -16.401 -4.561 452 HG23 VAL 61 HG23 VAL 61 14.540 -14.690 -4.654 453 H VAL 62 H VAL 62 14.631 -13.174 -8.956 454 HA VAL 62 HA VAL 62 12.527 -14.009 -10.938 455 HB VAL 62 HB VAL 62 14.504 -11.688 -11.145 456 HG11 VAL 62 HG11 VAL 62 14.051 -12.828 -13.318 457 HG12 VAL 62 HG12 VAL 62 12.298 -12.516 -13.056 458 HG13 VAL 62 HG13 VAL 62 13.446 -11.136 -13.255 459 HG21 VAL 62 HG21 VAL 62 12.459 -10.244 -11.127 460 HG22 VAL 62 HG22 VAL 62 11.466 -11.695 -10.839 461 HG23 VAL 62 HG23 VAL 62 12.626 -11.164 -9.622 462 H THR 63 H THR 63 13.244 -15.548 -12.438 463 HA THR 63 HA THR 63 16.211 -15.945 -12.478 464 HB THR 63 HB THR 63 14.095 -18.070 -12.946 465 HG1 THR 63 HG1 THR 63 14.848 -18.761 -10.839 466 HG21 THR 63 HG21 THR 63 16.186 -18.556 -14.047 467 HG22 THR 63 HG22 THR 63 16.048 -19.590 -12.602 468 HG23 THR 63 HG23 THR 63 17.100 -18.186 -12.590 469 HA PRO 64 HA PRO 64 15.596 -14.735 -16.754 470 HB2 PRO 64 HB2 PRO 64 18.163 -14.788 -17.619 471 HB3 PRO 64 HB3 PRO 64 17.592 -13.519 -16.507 472 HG2 PRO 64 HG2 PRO 64 19.029 -16.065 -15.819 473 HG3 PRO 64 HG3 PRO 64 19.461 -14.387 -15.361 474 HD2 PRO 64 HD2 PRO 64 18.022 -15.962 -13.650 475 HD3 PRO 64 HD3 PRO 64 17.631 -14.213 -13.839 476 H ALA 65 H ALA 65 15.546 -15.903 -18.770 477 HA ALA 65 HA ALA 65 15.604 -18.830 -18.473 478 HB1 ALA 65 HB1 ALA 65 14.578 -18.878 -20.671 479 HB2 ALA 65 HB2 ALA 65 13.728 -17.756 -19.586 480 HB3 ALA 65 HB3 ALA 65 14.823 -17.141 -20.839 481 H ALA 66 H ALA 66 17.919 -16.601 -19.272 482 HA ALA 66 HA ALA 66 19.597 -18.669 -20.536 483 HB1 ALA 66 HB1 ALA 66 20.289 -16.740 -22.307 484 HB2 ALA 66 HB2 ALA 66 18.884 -17.804 -22.618 485 HB3 ALA 66 HB3 ALA 66 18.602 -16.170 -21.990 486 HA PRO 67 HA PRO 67 22.330 -16.534 -17.888 487 HB2 PRO 67 HB2 PRO 67 24.816 -16.968 -18.974 488 HB3 PRO 67 HB3 PRO 67 23.868 -18.283 -18.251 489 HG2 PRO 67 HG2 PRO 67 24.142 -17.472 -21.134 490 HG3 PRO 67 HG3 PRO 67 24.340 -19.061 -20.431 491 HD2 PRO 67 HD2 PRO 67 22.014 -18.386 -21.587 492 HD3 PRO 67 HD3 PRO 67 22.023 -19.343 -20.052 493 H LEU 68 H LEU 68 23.527 -14.485 -17.729 494 HA LEU 68 HA LEU 68 23.002 -12.775 -20.108 495 HB2 LEU 68 HB2 LEU 68 23.863 -11.991 -17.279 496 HB3 LEU 68 HB3 LEU 68 23.390 -10.869 -18.539 497 HG LEU 68 HG LEU 68 21.535 -12.917 -17.203 498 HD11 LEU 68 HD11 LEU 68 20.477 -10.883 -16.247 499 HD12 LEU 68 HD12 LEU 68 21.779 -9.901 -16.888 500 HD13 LEU 68 HD13 LEU 68 22.141 -11.130 -15.670 501 HD21 LEU 68 HD21 LEU 68 19.737 -11.824 -18.321 502 HD22 LEU 68 HD22 LEU 68 20.890 -12.369 -19.564 503 HD23 LEU 68 HD23 LEU 68 20.822 -10.682 -19.094 504 H ALA 69 H ALA 69 24.477 -11.940 -21.347 505 HA ALA 69 HA ALA 69 27.322 -12.555 -20.868 506 HB1 ALA 69 HB1 ALA 69 25.980 -11.202 -23.241 507 HB2 ALA 69 HB2 ALA 69 27.651 -11.813 -23.188 508 HB3 ALA 69 HB3 ALA 69 26.270 -12.941 -23.121 509 H ALA 70 H ALA 70 28.898 -10.591 -21.374 510 HA ALA 70 HA ALA 70 28.307 -8.458 -19.581 511 HB1 ALA 70 HB1 ALA 70 30.377 -7.404 -20.594 512 HB2 ALA 70 HB2 ALA 70 30.620 -9.088 -20.195 513 HB3 ALA 70 HB3 ALA 70 30.364 -8.647 -21.880 514 H GLY 71 H GLY 71 27.585 -6.337 -19.904 515 HA2 GLY 71 HA2 GLY 71 27.294 -4.711 -21.963 516 HA3 GLY 71 HA3 GLY 71 26.010 -5.887 -22.390 517 H ASN 72 H ASN 72 24.925 -3.623 -22.207 518 HA ASN 72 HA ASN 72 24.225 -2.864 -19.399 519 HB2 ASN 72 HB2 ASN 72 24.777 -1.140 -21.201 520 HB3 ASN 72 HB3 ASN 72 23.321 -1.678 -22.033 521 HD21 ASN 72 HD21 ASN 72 24.554 0.241 -19.473 522 HD22 ASN 72 HD22 ASN 72 23.017 0.959 -19.020 523 H TYR 73 H TYR 73 22.378 -3.299 -18.396 524 HA TYR 73 HA TYR 73 20.160 -4.421 -20.075 525 HB2 TYR 73 HB2 TYR 73 21.131 -5.451 -17.353 526 HB3 TYR 73 HB3 TYR 73 19.661 -5.962 -18.180 527 HD1 TYR 73 HD1 TYR 73 19.641 -7.596 -19.902 528 HD2 TYR 73 HD2 TYR 73 23.341 -6.023 -18.475 529 HE1 TYR 73 HE1 TYR 73 20.848 -9.390 -21.132 530 HE2 TYR 73 HE2 TYR 73 24.573 -7.821 -19.716 531 HH TYR 73 HH TYR 73 24.421 -9.628 -20.983 532 H LYS 74 H LYS 74 18.110 -4.096 -19.385 533 HA LYS 74 HA LYS 74 17.698 -2.003 -17.246 534 HB2 LYS 74 HB2 LYS 74 17.324 -1.149 -19.586 535 HB3 LYS 74 HB3 LYS 74 16.114 -2.423 -19.787 536 HG2 LYS 74 HG2 LYS 74 14.854 -0.523 -19.362 537 HG3 LYS 74 HG3 LYS 74 14.835 -1.446 -17.866 538 HD2 LYS 74 HD2 LYS 74 15.090 0.763 -17.168 539 HD3 LYS 74 HD3 LYS 74 16.730 0.091 -17.061 540 HE2 LYS 74 HE2 LYS 74 16.780 2.360 -18.019 541 HE3 LYS 74 HE3 LYS 74 17.222 1.213 -19.278 542 HZ1 LYS 74 HZ1 LYS 74 14.459 2.168 -18.904 543 HZ2 LYS 74 HZ2 LYS 74 15.036 1.362 -20.218 544 HZ3 LYS 74 HZ3 LYS 74 15.508 2.921 -19.910 545 H VAL 75 H VAL 75 16.217 -2.540 -15.706 546 HA VAL 75 HA VAL 75 14.634 -5.028 -16.150 547 HB VAL 75 HB VAL 75 15.626 -3.833 -13.477 548 HG11 VAL 75 HG11 VAL 75 13.440 -4.966 -13.170 549 HG12 VAL 75 HG12 VAL 75 13.984 -6.382 -14.043 550 HG13 VAL 75 HG13 VAL 75 14.659 -6.005 -12.487 551 HG21 VAL 75 HG21 VAL 75 16.448 -6.492 -14.732 552 HG22 VAL 75 HG22 VAL 75 17.387 -4.962 -14.870 553 HG23 VAL 75 HG23 VAL 75 17.101 -5.712 -13.282 554 H VAL 76 H VAL 76 12.506 -4.729 -16.193 555 HA VAL 76 HA VAL 76 11.366 -2.159 -15.074 556 HB VAL 76 HB VAL 76 10.470 -3.700 -17.542 557 HG11 VAL 76 HG11 VAL 76 8.833 -1.851 -17.839 558 HG12 VAL 76 HG12 VAL 76 8.563 -2.803 -16.367 559 HG13 VAL 76 HG13 VAL 76 9.339 -1.191 -16.228 560 HG21 VAL 76 HG21 VAL 76 12.539 -2.355 -17.930 561 HG22 VAL 76 HG22 VAL 76 11.123 -1.746 -18.790 562 HG23 VAL 76 HG23 VAL 76 11.658 -0.900 -17.310 563 H TRP 77 H TRP 77 9.762 -2.489 -13.524 564 HA TRP 77 HA TRP 77 8.691 -5.225 -13.391 565 HB2 TRP 77 HB2 TRP 77 9.149 -5.406 -10.997 566 HB3 TRP 77 HB3 TRP 77 10.562 -5.391 -11.948 567 HD1 TRP 77 HD1 TRP 77 12.203 -3.229 -11.725 568 HE1 TRP 77 HE1 TRP 77 12.430 -1.282 -10.113 569 HE3 TRP 77 HE3 TRP 77 7.774 -3.830 -9.316 570 HZ2 TRP 77 HZ2 TRP 77 10.779 -0.037 -8.164 571 HZ3 TRP 77 HZ3 TRP 77 7.158 -2.215 -7.491 572 HH2 TRP 77 HH2 TRP 77 8.634 -0.273 -7.003 573 H ASN 78 H ASN 78 6.755 -5.505 -12.441 574 HA ASN 78 HA ASN 78 5.260 -3.083 -11.489 575 HB2 ASN 78 HB2 ASN 78 4.258 -5.481 -13.050 576 HB3 ASN 78 HB3 ASN 78 3.274 -4.112 -12.510 577 HD21 ASN 78 HD21 ASN 78 4.384 -1.903 -13.137 578 HD22 ASN 78 HD22 ASN 78 4.789 -1.758 -14.842 579 H ALA 79 H ALA 79 4.647 -3.455 -9.286 580 HA ALA 79 HA ALA 79 4.532 -6.327 -8.463 581 HB1 ALA 79 HB1 ALA 79 5.587 -3.954 -6.879 582 HB2 ALA 79 HB2 ALA 79 5.427 -5.590 -6.238 583 HB3 ALA 79 HB3 ALA 79 6.580 -5.264 -7.569 584 H VAL 80 H VAL 80 2.860 -6.876 -7.076 585 HA VAL 80 HA VAL 80 0.909 -4.737 -6.410 586 HB VAL 80 HB VAL 80 0.242 -7.586 -7.335 587 HG11 VAL 80 HG11 VAL 80 -1.584 -5.291 -6.503 588 HG12 VAL 80 HG12 VAL 80 -2.110 -6.780 -7.306 589 HG13 VAL 80 HG13 VAL 80 -1.352 -6.831 -5.663 590 HG21 VAL 80 HG21 VAL 80 -0.265 -4.867 -8.715 591 HG22 VAL 80 HG22 VAL 80 0.919 -6.108 -9.276 592 HG23 VAL 80 HG23 VAL 80 -0.841 -6.473 -9.296 593 H SER 81 H SER 81 0.497 -4.630 -4.360 594 HA SER 81 HA SER 81 1.833 -6.443 -2.566 595 HB2 SER 81 HB2 SER 81 1.014 -4.968 -0.846 596 HB3 SER 81 HB3 SER 81 1.671 -3.972 -2.145 597 HG SER 81 HG SER 81 -0.279 -3.135 -1.617 598 H VAL 82 H VAL 82 0.670 -7.387 -0.657 599 HA VAL 82 HA VAL 82 -1.662 -8.893 -1.623 600 HB VAL 82 HB VAL 82 -1.826 -9.778 0.685 601 HG11 VAL 82 HG11 VAL 82 -0.205 -10.895 -0.693 602 HG12 VAL 82 HG12 VAL 82 1.036 -9.658 -0.395 603 HG13 VAL 82 HG13 VAL 82 0.463 -10.737 0.890 604 HG21 VAL 82 HG21 VAL 82 -1.289 -7.700 1.909 605 HG22 VAL 82 HG22 VAL 82 -0.278 -9.027 2.409 606 HG23 VAL 82 HG23 VAL 82 0.400 -7.787 1.367 607 H ASP 83 H ASP 83 -1.283 -5.735 -0.530 608 HA ASP 83 HA ASP 83 -4.030 -5.472 0.527 609 HB2 ASP 83 HB2 ASP 83 -1.934 -4.271 1.437 610 HB3 ASP 83 HB3 ASP 83 -2.023 -3.259 -0.005 611 H THR 84 H THR 84 -3.357 -6.204 -2.306 612 HA THR 84 HA THR 84 -3.850 -5.859 -4.456 613 HB THR 84 HB THR 84 -6.154 -5.928 -3.509 614 HG1 THR 84 HG1 THR 84 -7.005 -5.535 -5.458 615 HG21 THR 84 HG21 THR 84 -6.455 -3.791 -2.435 616 HG22 THR 84 HG22 THR 84 -7.536 -3.848 -3.806 617 HG23 THR 84 HG23 THR 84 -6.036 -2.905 -3.966 618 H HIS 85 H HIS 85 -2.669 -3.132 -2.831 619 HA HIS 85 HA HIS 85 -2.981 -1.119 -4.892 620 HB2 HIS 85 HB2 HIS 85 -2.284 -0.750 -2.518 621 HB3 HIS 85 HB3 HIS 85 -0.667 -1.420 -2.880 622 HD1 HIS 85 HD1 HIS 85 -2.843 1.614 -3.488 623 HD2 HIS 85 HD2 HIS 85 1.056 0.312 -4.309 624 HE1 HIS 85 HE1 HIS 85 -1.555 3.596 -4.428 625 H LYS 86 H LYS 86 -1.634 -0.589 -6.641 626 HA LYS 86 HA LYS 86 0.471 -2.534 -7.397 627 HB2 LYS 86 HB2 LYS 86 -1.601 -2.484 -8.782 628 HB3 LYS 86 HB3 LYS 86 -1.238 -0.763 -9.124 629 HG2 LYS 86 HG2 LYS 86 0.832 -1.443 -10.288 630 HG3 LYS 86 HG3 LYS 86 0.538 -3.138 -9.919 631 HD2 LYS 86 HD2 LYS 86 -1.577 -3.025 -11.193 632 HD3 LYS 86 HD3 LYS 86 -1.262 -1.310 -11.555 633 HE2 LYS 86 HE2 LYS 86 0.881 -1.982 -12.660 634 HE3 LYS 86 HE3 LYS 86 0.564 -3.666 -12.266 635 HZ1 LYS 86 HZ1 LYS 86 -1.481 -3.461 -13.662 636 HZ2 LYS 86 HZ2 LYS 86 -0.103 -3.283 -14.510 637 HZ3 LYS 86 HZ3 LYS 86 -1.022 -1.941 -14.146 638 H SER 87 H SER 87 2.482 -1.899 -7.922 639 HA SER 87 HA SER 87 3.043 1.050 -8.235 640 HB2 SER 87 HB2 SER 87 4.507 -0.934 -6.486 641 HB3 SER 87 HB3 SER 87 5.051 0.730 -6.827 642 HG SER 87 HG SER 87 4.035 0.664 -4.863 643 H ASN 88 H ASN 88 5.106 1.422 -9.355 644 HA ASN 88 HA ASN 88 6.214 -0.944 -10.771 645 HB2 ASN 88 HB2 ASN 88 5.912 -0.025 -12.978 646 HB3 ASN 88 HB3 ASN 88 4.334 -0.165 -12.208 647 HD21 ASN 88 HD21 ASN 88 3.682 1.992 -10.986 648 HD22 ASN 88 HD22 ASN 88 4.027 3.457 -11.873 649 H GLY 89 H GLY 89 8.179 -0.336 -12.124 650 HA2 GLY 89 HA2 GLY 89 9.327 2.264 -11.980 651 HA3 GLY 89 HA3 GLY 89 9.990 1.280 -10.684 652 H GLU 90 H GLU 90 11.864 2.067 -12.395 653 HA GLU 90 HA GLU 90 12.582 -0.443 -13.720 654 HB2 GLU 90 HB2 GLU 90 13.065 0.579 -15.883 655 HB3 GLU 90 HB3 GLU 90 11.377 0.895 -15.481 656 HG2 GLU 90 HG2 GLU 90 11.963 3.245 -14.813 657 HG3 GLU 90 HG3 GLU 90 13.649 2.905 -15.275 658 H TYR 91 H TYR 91 14.897 -0.654 -14.047 659 HA TYR 91 HA TYR 91 16.555 1.650 -13.402 660 HB2 TYR 91 HB2 TYR 91 17.789 0.527 -11.576 661 HB3 TYR 91 HB3 TYR 91 16.094 0.730 -11.135 662 HD1 TYR 91 HD1 TYR 91 14.667 -1.209 -10.812 663 HD2 TYR 91 HD2 TYR 91 18.720 -1.729 -12.000 664 HE1 TYR 91 HE1 TYR 91 14.571 -3.672 -10.142 665 HE2 TYR 91 HE2 TYR 91 18.625 -4.142 -11.345 666 HH TYR 91 HH TYR 91 15.790 -5.640 -9.866 667 H SER 92 H SER 92 18.943 1.136 -13.795 668 HA SER 92 HA SER 92 19.197 -1.203 -15.653 669 HB2 SER 92 HB2 SER 92 20.583 0.211 -17.130 670 HB3 SER 92 HB3 SER 92 19.031 1.006 -16.879 671 HG SER 92 HG SER 92 21.056 2.293 -16.667 672 H PHE 93 H PHE 93 21.346 -2.030 -15.974 673 HA PHE 93 HA PHE 93 23.464 -1.158 -14.160 674 HB2 PHE 93 HB2 PHE 93 23.630 -3.196 -12.843 675 HB3 PHE 93 HB3 PHE 93 21.981 -2.615 -12.675 676 HD1 PHE 93 HD1 PHE 93 20.113 -3.859 -13.690 677 HD2 PHE 93 HD2 PHE 93 24.156 -5.285 -14.052 678 HE1 PHE 93 HE1 PHE 93 19.293 -6.134 -14.449 679 HE2 PHE 93 HE2 PHE 93 23.347 -7.497 -14.759 680 HZ PHE 93 HZ PHE 93 20.946 -7.934 -14.965 681 H LYS 94 H LYS 94 25.463 -2.591 -14.534 682 HA LYS 94 HA LYS 94 25.402 -3.628 -17.329 683 HB2 LYS 94 HB2 LYS 94 26.713 -1.514 -16.980 684 HB3 LYS 94 HB3 LYS 94 27.728 -2.373 -15.843 685 HG2 LYS 94 HG2 LYS 94 28.391 -3.969 -17.619 686 HG3 LYS 94 HG3 LYS 94 27.401 -3.048 -18.812 687 HD2 LYS 94 HD2 LYS 94 28.817 -1.038 -18.327 688 HD3 LYS 94 HD3 LYS 94 29.839 -2.032 -17.256 689 HE2 LYS 94 HE2 LYS 94 29.326 -2.516 -20.235 690 HE3 LYS 94 HE3 LYS 94 30.812 -1.860 -19.592 691 HZ1 LYS 94 HZ1 LYS 94 29.771 -4.489 -18.895 692 HZ2 LYS 94 HZ2 LYS 94 31.215 -3.910 -18.444 693 HZ3 LYS 94 HZ3 LYS 94 30.908 -4.218 -20.011 694 H VAL 95 H VAL 95 26.074 -5.665 -17.715 695 HA VAL 95 HA VAL 95 27.187 -7.174 -15.441 696 HB VAL 95 HB VAL 95 26.576 -8.137 -18.273 697 HG11 VAL 95 HG11 VAL 95 28.391 -9.405 -17.317 698 HG12 VAL 95 HG12 VAL 95 27.458 -9.687 -15.848 699 HG13 VAL 95 HG13 VAL 95 26.905 -10.380 -17.371 700 HG21 VAL 95 HG21 VAL 95 25.146 -8.664 -15.606 701 HG22 VAL 95 HG22 VAL 95 24.573 -7.475 -16.874 702 HG23 VAL 95 HG23 VAL 95 24.633 -9.229 -17.251 703 H GLY 96 H GLY 96 29.279 -7.389 -15.064 704 HA2 GLY 96 HA2 GLY 96 31.208 -7.958 -17.007 705 HA3 GLY 96 HA3 GLY 96 31.326 -6.168 -16.619 706 H GLN 97 H GLN 97 32.741 -9.040 -15.637 707 HA GLN 97 HA GLN 97 32.418 -8.750 -12.767 708 HB2 GLN 97 HB2 GLN 97 33.931 -10.557 -12.560 709 HB3 GLN 97 HB3 GLN 97 32.882 -10.917 -13.962 710 HG2 GLN 97 HG2 GLN 97 34.735 -10.059 -15.432 711 HG3 GLN 97 HG3 GLN 97 35.741 -9.922 -13.991 712 HE21 GLN 97 HE21 GLN 97 35.314 -11.705 -16.492 713 HE22 GLN 97 HE22 GLN 97 35.648 -13.273 -15.875 Start of MODEL 11 1 H1 HIS 1 H1 HIS 1 0.734 1.601 -1.427 2 H2 HIS 1 H2 HIS 1 1.465 0.347 -0.658 3 H3 HIS 1 H3 HIS 1 2.206 1.813 -0.684 4 HA HIS 1 HA HIS 1 1.721 0.103 -3.067 5 HB2 HIS 1 HB2 HIS 1 3.200 2.747 -2.684 6 HB3 HIS 1 HB3 HIS 1 3.297 1.775 -4.145 7 HD1 HIS 1 HD1 HIS 1 0.977 4.085 -2.208 8 HD2 HIS 1 HD2 HIS 1 1.027 1.864 -5.773 9 HE1 HIS 1 HE1 HIS 1 -0.936 4.924 -3.628 10 H ALA 2 H ALA 2 3.739 -0.737 -3.997 11 HA ALA 2 HA ALA 2 5.591 -1.581 -1.784 12 HB1 ALA 2 HB1 ALA 2 6.060 -3.506 -3.227 13 HB2 ALA 2 HB2 ALA 2 4.313 -3.319 -3.123 14 HB3 ALA 2 HB3 ALA 2 5.162 -2.786 -4.589 15 H HIS 3 H HIS 3 7.434 -0.481 -1.643 16 HA HIS 3 HA HIS 3 8.715 0.372 -4.211 17 HB2 HIS 3 HB2 HIS 3 8.879 1.715 -1.484 18 HB3 HIS 3 HB3 HIS 3 9.750 2.224 -2.945 19 HD1 HIS 3 HD1 HIS 3 8.092 2.981 -5.049 20 HD2 HIS 3 HD2 HIS 3 6.424 2.823 -1.208 21 HE1 HIS 3 HE1 HIS 3 5.950 4.343 -5.072 22 H LEU 4 H LEU 4 10.887 0.132 -4.476 23 HA LEU 4 HA LEU 4 12.038 -2.156 -3.190 24 HB2 LEU 4 HB2 LEU 4 12.416 -1.421 -5.560 25 HB3 LEU 4 HB3 LEU 4 13.254 -0.041 -4.956 26 HG LEU 4 HG LEU 4 15.017 -1.564 -4.050 27 HD11 LEU 4 HD11 LEU 4 15.031 -3.899 -4.882 28 HD12 LEU 4 HD12 LEU 4 13.408 -3.673 -5.536 29 HD13 LEU 4 HD13 LEU 4 13.674 -3.593 -3.783 30 HD21 LEU 4 HD21 LEU 4 15.981 -2.094 -6.220 31 HD22 LEU 4 HD22 LEU 4 15.175 -0.485 -6.264 32 HD23 LEU 4 HD23 LEU 4 14.383 -1.888 -7.003 33 H LYS 5 H LYS 5 13.441 -2.303 -1.470 34 HA LYS 5 HA LYS 5 14.413 0.244 -0.252 35 HB2 LYS 5 HB2 LYS 5 14.401 -2.562 0.847 36 HB3 LYS 5 HB3 LYS 5 15.018 -1.119 1.687 37 HG2 LYS 5 HG2 LYS 5 12.692 -0.199 1.639 38 HG3 LYS 5 HG3 LYS 5 12.153 -1.723 0.871 39 HD2 LYS 5 HD2 LYS 5 11.751 -1.957 3.236 40 HD3 LYS 5 HD3 LYS 5 13.089 -3.022 2.770 41 HE2 LYS 5 HE2 LYS 5 14.704 -1.322 3.673 42 HE3 LYS 5 HE3 LYS 5 13.314 -0.257 4.144 43 HZ1 LYS 5 HZ1 LYS 5 12.554 -1.910 5.620 44 HZ2 LYS 5 HZ2 LYS 5 14.132 -1.540 5.972 45 HZ3 LYS 5 HZ3 LYS 5 13.781 -2.968 5.195 46 H SER 6 H SER 6 15.546 -2.937 -1.448 47 HA SER 6 HA SER 6 18.321 -1.965 -1.775 48 HB2 SER 6 HB2 SER 6 18.319 -2.609 0.591 49 HB3 SER 6 HB3 SER 6 17.586 -4.180 0.187 50 HG SER 6 HG SER 6 19.826 -4.352 0.368 51 H ALA 7 H ALA 7 19.537 -3.718 -2.974 52 HA ALA 7 HA ALA 7 17.894 -5.884 -4.098 53 HB1 ALA 7 HB1 ALA 7 17.251 -3.899 -5.472 54 HB2 ALA 7 HB2 ALA 7 18.963 -3.547 -5.832 55 HB3 ALA 7 HB3 ALA 7 18.176 -5.033 -6.467 56 H THR 8 H THR 8 18.882 -7.188 -5.707 57 HA THR 8 HA THR 8 21.776 -7.751 -5.249 58 HB THR 8 HB THR 8 19.527 -9.101 -6.886 59 HG1 THR 8 HG1 THR 8 20.511 -9.796 -4.312 60 HG21 THR 8 HG21 THR 8 20.862 -11.174 -6.479 61 HG22 THR 8 HG22 THR 8 22.189 -10.109 -6.002 62 HG23 THR 8 HG23 THR 8 21.524 -10.056 -7.662 63 HA PRO 9 HA PRO 9 23.815 -5.644 -8.680 64 HB2 PRO 9 HB2 PRO 9 22.009 -6.998 -10.701 65 HB3 PRO 9 HB3 PRO 9 23.771 -6.629 -10.674 66 HG2 PRO 9 HG2 PRO 9 22.447 -9.080 -9.389 67 HG3 PRO 9 HG3 PRO 9 24.189 -8.859 -9.710 68 HD2 PRO 9 HD2 PRO 9 23.225 -8.692 -7.113 69 HD3 PRO 9 HD3 PRO 9 24.410 -7.494 -7.629 70 H ALA 10 H ALA 10 23.111 -4.056 -7.512 71 HA ALA 10 HA ALA 10 20.731 -2.577 -7.774 72 HB1 ALA 10 HB1 ALA 10 22.289 -2.600 -5.820 73 HB2 ALA 10 HB2 ALA 10 23.457 -1.635 -6.812 74 HB3 ALA 10 HB3 ALA 10 21.844 -1.015 -6.408 75 H ALA 11 H ALA 11 20.708 -0.257 -8.359 76 HA ALA 11 HA ALA 11 21.235 -0.047 -11.100 77 HB1 ALA 11 HB1 ALA 11 19.551 1.394 -10.153 78 HB2 ALA 11 HB2 ALA 11 20.683 2.056 -8.988 79 HB3 ALA 11 HB3 ALA 11 20.846 2.464 -10.701 80 H ASP 12 H ASP 12 22.767 0.713 -12.369 81 HA ASP 12 HA ASP 12 24.759 1.310 -13.137 82 HB2 ASP 12 HB2 ASP 12 24.172 3.429 -11.748 83 HB3 ASP 12 HB3 ASP 12 25.448 2.908 -10.664 84 H SER 13 H SER 13 24.638 -1.027 -10.997 85 HA SER 13 HA SER 13 27.404 -1.060 -10.071 86 HB2 SER 13 HB2 SER 13 26.821 -3.276 -9.181 87 HB3 SER 13 HB3 SER 13 25.542 -2.120 -8.820 88 HG SER 13 HG SER 13 24.212 -3.087 -10.196 89 H THR 14 H THR 14 28.908 -2.853 -10.660 90 HA THR 14 HA THR 14 28.427 -3.847 -13.443 91 HB THR 14 HB THR 14 31.109 -3.240 -12.143 92 HG1 THR 14 HG1 THR 14 29.929 -1.358 -12.698 93 HG21 THR 14 HG21 THR 14 31.926 -3.511 -14.494 94 HG22 THR 14 HG22 THR 14 30.300 -4.097 -14.946 95 HG23 THR 14 HG23 THR 14 31.298 -5.021 -13.783 96 H VAL 15 H VAL 15 27.922 -6.042 -13.190 97 HA VAL 15 HA VAL 15 29.413 -7.522 -11.059 98 HB VAL 15 HB VAL 15 27.313 -8.737 -10.614 99 HG11 VAL 15 HG11 VAL 15 26.180 -6.933 -9.344 100 HG12 VAL 15 HG12 VAL 15 27.898 -6.629 -9.321 101 HG13 VAL 15 HG13 VAL 15 26.883 -5.687 -10.384 102 HG21 VAL 15 HG21 VAL 15 25.206 -8.222 -11.647 103 HG22 VAL 15 HG22 VAL 15 25.788 -6.697 -12.357 104 HG23 VAL 15 HG23 VAL 15 26.307 -8.262 -13.009 105 H ALA 16 H ALA 16 29.318 -9.922 -11.282 106 HA ALA 16 HA ALA 16 29.606 -10.801 -14.094 107 HB1 ALA 16 HB1 ALA 16 29.684 -12.189 -11.383 108 HB2 ALA 16 HB2 ALA 16 29.807 -13.014 -12.935 109 HB3 ALA 16 HB3 ALA 16 31.059 -11.856 -12.444 110 H ALA 17 H ALA 17 27.857 -12.368 -14.943 111 HA ALA 17 HA ALA 17 25.296 -11.400 -14.154 112 HB1 ALA 17 HB1 ALA 17 24.364 -13.269 -15.522 113 HB2 ALA 17 HB2 ALA 17 25.601 -12.316 -16.376 114 HB3 ALA 17 HB3 ALA 17 26.032 -13.891 -15.729 115 HA PRO 18 HA PRO 18 24.848 -13.944 -10.527 116 HB2 PRO 18 HB2 PRO 18 22.394 -13.170 -9.691 117 HB3 PRO 18 HB3 PRO 18 23.765 -12.006 -9.673 118 HG2 PRO 18 HG2 PRO 18 21.630 -12.439 -11.774 119 HG3 PRO 18 HG3 PRO 18 22.102 -10.901 -10.977 120 HD2 PRO 18 HD2 PRO 18 23.055 -11.599 -13.385 121 HD3 PRO 18 HD3 PRO 18 24.082 -10.727 -12.187 122 H ALA 19 H ALA 19 23.483 -15.859 -9.710 123 HA ALA 19 HA ALA 19 22.442 -17.433 -11.878 124 HB1 ALA 19 HB1 ALA 19 22.167 -17.658 -8.832 125 HB2 ALA 19 HB2 ALA 19 21.404 -18.808 -9.928 126 HB3 ALA 19 HB3 ALA 19 23.177 -18.645 -9.908 127 H ASP 20 H ASP 20 20.996 -15.318 -9.364 128 HA ASP 20 HA ASP 20 18.608 -14.979 -11.069 129 HB2 ASP 20 HB2 ASP 20 17.040 -15.521 -9.273 130 HB3 ASP 20 HB3 ASP 20 18.089 -16.902 -9.578 131 H LEU 21 H LEU 21 17.286 -13.069 -10.215 132 HA LEU 21 HA LEU 21 19.130 -11.102 -8.827 133 HB2 LEU 21 HB2 LEU 21 16.799 -10.563 -10.706 134 HB3 LEU 21 HB3 LEU 21 17.767 -9.362 -9.850 135 HG LEU 21 HG LEU 21 19.756 -9.967 -11.179 136 HD11 LEU 21 HD11 LEU 21 17.796 -11.653 -12.774 137 HD12 LEU 21 HD12 LEU 21 19.325 -12.166 -12.047 138 HD13 LEU 21 HD13 LEU 21 19.337 -11.089 -13.422 139 HD21 LEU 21 HD21 LEU 21 18.232 -8.034 -11.680 140 HD22 LEU 21 HD22 LEU 21 17.335 -9.143 -12.822 141 HD23 LEU 21 HD23 LEU 21 19.039 -8.728 -13.125 142 H ARG 22 H ARG 22 18.369 -10.274 -6.860 143 HA ARG 22 HA ARG 22 15.580 -11.059 -6.125 144 HB2 ARG 22 HB2 ARG 22 17.953 -10.880 -4.291 145 HB3 ARG 22 HB3 ARG 22 16.317 -11.365 -3.843 146 HG2 ARG 22 HG2 ARG 22 16.522 -13.270 -5.504 147 HG3 ARG 22 HG3 ARG 22 18.203 -12.801 -5.734 148 HD2 ARG 22 HD2 ARG 22 18.639 -13.181 -3.345 149 HD3 ARG 22 HD3 ARG 22 16.925 -13.826 -3.211 150 HE ARG 22 HE ARG 22 18.197 -15.082 -5.408 151 HH11 ARG 22 HH11 ARG 22 18.350 -15.184 -1.851 152 HH12 ARG 22 HH12 ARG 22 19.056 -16.780 -1.896 153 HH21 ARG 22 HH21 ARG 22 18.918 -17.127 -5.274 154 HH22 ARG 22 HH22 ARG 22 19.417 -17.862 -3.766 155 H LEU 23 H LEU 23 14.229 -9.594 -5.199 156 HA LEU 23 HA LEU 23 15.285 -6.833 -4.767 157 HB2 LEU 23 HB2 LEU 23 12.615 -7.696 -5.979 158 HB3 LEU 23 HB3 LEU 23 13.078 -6.036 -5.659 159 HG LEU 23 HG LEU 23 14.494 -7.832 -7.645 160 HD11 LEU 23 HD11 LEU 23 12.448 -5.636 -7.983 161 HD12 LEU 23 HD12 LEU 23 12.369 -7.320 -8.564 162 HD13 LEU 23 HD13 LEU 23 13.480 -6.181 -9.314 163 HD21 LEU 23 HD21 LEU 23 15.916 -6.038 -6.613 164 HD22 LEU 23 HD22 LEU 23 14.739 -4.860 -7.198 165 HD23 LEU 23 HD23 LEU 23 15.684 -5.844 -8.306 166 H THR 24 H THR 24 14.593 -5.791 -2.838 167 HA THR 24 HA THR 24 12.669 -7.381 -1.179 168 HB THR 24 HB THR 24 14.938 -5.580 -0.184 169 HG1 THR 24 HG1 THR 24 15.918 -7.483 0.410 170 HG21 THR 24 HG21 THR 24 12.972 -7.449 1.220 171 HG22 THR 24 HG22 THR 24 13.009 -5.663 1.377 172 HG23 THR 24 HG23 THR 24 14.361 -6.626 1.985 173 H PHE 25 H PHE 25 10.815 -6.356 -0.721 174 HA PHE 25 HA PHE 25 10.746 -3.369 -1.144 175 HB2 PHE 25 HB2 PHE 25 8.495 -5.415 -1.458 176 HB3 PHE 25 HB3 PHE 25 8.377 -3.697 -1.751 177 HD1 PHE 25 HD1 PHE 25 9.447 -2.675 -3.700 178 HD2 PHE 25 HD2 PHE 25 9.515 -6.914 -2.994 179 HE1 PHE 25 HE1 PHE 25 10.128 -3.026 -6.056 180 HE2 PHE 25 HE2 PHE 25 10.200 -7.279 -5.381 181 HZ PHE 25 HZ PHE 25 10.476 -5.312 -6.940 182 H SER 26 H SER 26 9.321 -2.129 0.304 183 HA SER 26 HA SER 26 9.459 -3.088 3.028 184 HB2 SER 26 HB2 SER 26 7.828 -0.762 1.932 185 HB3 SER 26 HB3 SER 26 8.221 -1.083 3.639 186 HG SER 26 HG SER 26 9.659 0.411 2.475 187 H GLU 27 H GLU 27 7.017 -3.231 0.566 188 HA GLU 27 HA GLU 27 4.909 -4.231 2.411 189 HB2 GLU 27 HB2 GLU 27 4.433 -2.241 0.992 190 HB3 GLU 27 HB3 GLU 27 4.806 -3.222 -0.440 191 HG2 GLU 27 HG2 GLU 27 2.484 -3.100 -0.371 192 HG3 GLU 27 HG3 GLU 27 2.844 -4.711 0.287 193 H GLY 28 H GLY 28 4.053 -6.365 2.024 194 HA2 GLY 28 HA2 GLY 28 5.826 -8.067 0.524 195 HA3 GLY 28 HA3 GLY 28 4.288 -8.558 1.294 196 H VAL 29 H VAL 29 5.269 -9.333 -1.454 197 HA VAL 29 HA VAL 29 3.094 -7.989 -2.989 198 HB VAL 29 HB VAL 29 4.502 -8.275 -5.018 199 HG11 VAL 29 HG11 VAL 29 6.283 -6.499 -4.499 200 HG12 VAL 29 HG12 VAL 29 4.605 -6.123 -3.993 201 HG13 VAL 29 HG13 VAL 29 5.785 -6.648 -2.763 202 HG21 VAL 29 HG21 VAL 29 6.814 -9.074 -3.171 203 HG22 VAL 29 HG22 VAL 29 5.845 -10.254 -4.118 204 HG23 VAL 29 HG23 VAL 29 6.814 -9.041 -4.973 205 H GLU 30 H GLU 30 2.104 -9.112 -4.641 206 HA GLU 30 HA GLU 30 1.707 -12.007 -4.149 207 HB2 GLU 30 HB2 GLU 30 0.364 -9.972 -6.005 208 HB3 GLU 30 HB3 GLU 30 -0.101 -11.664 -5.855 209 HG2 GLU 30 HG2 GLU 30 -0.260 -9.655 -3.577 210 HG3 GLU 30 HG3 GLU 30 -1.611 -10.115 -4.598 211 H ALA 31 H ALA 31 3.501 -13.034 -5.067 212 HA ALA 31 HA ALA 31 4.853 -12.071 -7.387 213 HB1 ALA 31 HB1 ALA 31 4.906 -14.788 -6.010 214 HB2 ALA 31 HB2 ALA 31 5.973 -14.368 -7.371 215 HB3 ALA 31 HB3 ALA 31 6.054 -13.446 -5.859 216 H THR 32 H THR 32 2.100 -14.127 -7.029 217 HA THR 32 HA THR 32 2.063 -15.463 -9.536 218 HB THR 32 HB THR 32 -0.245 -14.405 -7.813 219 HG1 THR 32 HG1 THR 32 1.002 -16.957 -7.688 220 HG21 THR 32 HG21 THR 32 -1.168 -15.279 -9.917 221 HG22 THR 32 HG22 THR 32 -1.429 -16.482 -8.674 222 HG23 THR 32 HG23 THR 32 -0.154 -16.707 -9.829 223 H PHE 33 H PHE 33 1.046 -12.159 -8.567 224 HA PHE 33 HA PHE 33 0.061 -11.685 -11.335 225 HB2 PHE 33 HB2 PHE 33 -0.494 -10.105 -8.832 226 HB3 PHE 33 HB3 PHE 33 -1.223 -9.830 -10.434 227 HD1 PHE 33 HD1 PHE 33 -1.463 -11.529 -7.285 228 HD2 PHE 33 HD2 PHE 33 -2.655 -11.822 -11.393 229 HE1 PHE 33 HE1 PHE 33 -3.187 -13.197 -6.652 230 HE2 PHE 33 HE2 PHE 33 -4.339 -13.548 -10.783 231 HZ PHE 33 HZ PHE 33 -4.673 -14.207 -8.394 232 H THR 34 H THR 34 2.789 -11.216 -9.543 233 HA THR 34 HA THR 34 3.551 -8.517 -10.460 234 HB THR 34 HB THR 34 5.249 -10.825 -9.404 235 HG1 THR 34 HG1 THR 34 3.691 -10.049 -7.871 236 HG21 THR 34 HG21 THR 34 5.917 -7.870 -9.576 237 HG22 THR 34 HG22 THR 34 6.644 -9.187 -10.530 238 HG23 THR 34 HG23 THR 34 6.873 -9.082 -8.756 239 H LYS 35 H LYS 35 4.675 -8.055 -12.358 240 HA LYS 35 HA LYS 35 5.618 -10.373 -13.944 241 HB2 LYS 35 HB2 LYS 35 3.366 -9.713 -14.745 242 HB3 LYS 35 HB3 LYS 35 4.025 -8.130 -15.169 243 HG2 LYS 35 HG2 LYS 35 5.574 -9.211 -16.799 244 HG3 LYS 35 HG3 LYS 35 4.915 -10.814 -16.357 245 HD2 LYS 35 HD2 LYS 35 2.690 -9.999 -17.086 246 HD3 LYS 35 HD3 LYS 35 3.406 -8.494 -17.641 247 HE2 LYS 35 HE2 LYS 35 4.890 -9.845 -19.154 248 HE3 LYS 35 HE3 LYS 35 4.057 -11.322 -18.605 249 HZ1 LYS 35 HZ1 LYS 35 2.021 -10.461 -19.459 250 HZ2 LYS 35 HZ2 LYS 35 3.179 -10.515 -20.661 251 HZ3 LYS 35 HZ3 LYS 35 2.789 -9.068 -19.958 252 H VAL 36 H VAL 36 7.615 -10.132 -14.918 253 HA VAL 36 HA VAL 36 8.809 -7.427 -14.651 254 HB VAL 36 HB VAL 36 10.147 -10.169 -14.240 255 HG11 VAL 36 HG11 VAL 36 11.756 -8.491 -15.183 256 HG12 VAL 36 HG12 VAL 36 11.290 -7.340 -13.874 257 HG13 VAL 36 HG13 VAL 36 12.124 -8.852 -13.480 258 HG21 VAL 36 HG21 VAL 36 9.369 -7.984 -12.226 259 HG22 VAL 36 HG22 VAL 36 8.634 -9.572 -12.352 260 HG23 VAL 36 HG23 VAL 36 10.302 -9.400 -11.833 261 H SER 37 H SER 37 10.061 -6.635 -16.323 262 HA SER 37 HA SER 37 10.339 -8.381 -18.728 263 HB2 SER 37 HB2 SER 37 8.714 -6.589 -19.114 264 HB3 SER 37 HB3 SER 37 9.880 -5.343 -18.603 265 HG SER 37 HG SER 37 10.338 -5.375 -20.658 266 H LEU 38 H LEU 38 12.409 -8.357 -19.645 267 HA LEU 38 HA LEU 38 14.521 -6.689 -18.392 268 HB2 LEU 38 HB2 LEU 38 14.577 -9.000 -17.397 269 HB3 LEU 38 HB3 LEU 38 14.663 -9.650 -19.022 270 HG LEU 38 HG LEU 38 16.920 -8.683 -19.321 271 HD11 LEU 38 HD11 LEU 38 18.161 -7.834 -17.446 272 HD12 LEU 38 HD12 LEU 38 16.788 -8.008 -16.355 273 HD13 LEU 38 HD13 LEU 38 16.754 -6.831 -17.669 274 HD21 LEU 38 HD21 LEU 38 18.061 -10.286 -17.874 275 HD22 LEU 38 HD22 LEU 38 16.576 -11.009 -18.475 276 HD23 LEU 38 HD23 LEU 38 16.638 -10.420 -16.819 277 H SER 39 H SER 39 16.046 -5.901 -19.893 278 HA SER 39 HA SER 39 15.881 -7.111 -22.619 279 HB2 SER 39 HB2 SER 39 15.793 -4.871 -23.649 280 HB3 SER 39 HB3 SER 39 14.402 -5.099 -22.565 281 HG SER 39 HG SER 39 15.373 -3.080 -22.153 282 H LYS 40 H LYS 40 17.686 -6.844 -23.869 283 HA LYS 40 HA LYS 40 20.190 -5.952 -22.470 284 HB2 LYS 40 HB2 LYS 40 21.408 -7.624 -23.774 285 HB3 LYS 40 HB3 LYS 40 20.114 -8.380 -22.835 286 HG2 LYS 40 HG2 LYS 40 18.710 -8.577 -24.890 287 HG3 LYS 40 HG3 LYS 40 20.085 -7.947 -25.831 288 HD2 LYS 40 HD2 LYS 40 21.474 -9.830 -25.059 289 HD3 LYS 40 HD3 LYS 40 20.109 -10.449 -24.125 290 HE2 LYS 40 HE2 LYS 40 18.785 -10.696 -26.185 291 HE3 LYS 40 HE3 LYS 40 20.143 -10.054 -27.117 292 HZ1 LYS 40 HZ1 LYS 40 19.982 -12.541 -27.061 293 HZ2 LYS 40 HZ2 LYS 40 20.402 -12.495 -25.462 294 HZ3 LYS 40 HZ3 LYS 40 21.431 -11.928 -26.603 295 H ASP 41 H ASP 41 20.797 -4.027 -23.306 296 HA ASP 41 HA ASP 41 21.180 -2.353 -24.759 297 HB2 ASP 41 HB2 ASP 41 22.599 -4.244 -25.833 298 HB3 ASP 41 HB3 ASP 41 21.340 -4.292 -27.045 299 H GLY 42 H GLY 42 18.437 -3.176 -24.306 300 HA2 GLY 42 HA2 GLY 42 16.398 -2.226 -25.013 301 HA3 GLY 42 HA3 GLY 42 17.183 -1.693 -26.503 302 H THR 43 H THR 43 17.598 -5.098 -25.785 303 HA THR 43 HA THR 43 15.331 -5.748 -27.683 304 HB THR 43 HB THR 43 18.024 -7.256 -27.287 305 HG1 THR 43 HG1 THR 43 18.525 -6.387 -29.310 306 HG21 THR 43 HG21 THR 43 15.769 -7.612 -29.295 307 HG22 THR 43 HG22 THR 43 16.131 -8.697 -27.960 308 HG23 THR 43 HG23 THR 43 17.302 -8.510 -29.294 309 H GLU 44 H GLU 44 13.814 -7.137 -26.772 310 HA GLU 44 HA GLU 44 13.867 -7.670 -24.000 311 HB2 GLU 44 HB2 GLU 44 11.830 -7.540 -25.528 312 HB3 GLU 44 HB3 GLU 44 12.270 -9.162 -26.126 313 HG2 GLU 44 HG2 GLU 44 11.947 -10.080 -23.877 314 HG3 GLU 44 HG3 GLU 44 11.551 -8.438 -23.275 315 H VAL 45 H VAL 45 14.242 -9.323 -22.664 316 HA VAL 45 HA VAL 45 15.585 -11.774 -23.815 317 HB VAL 45 HB VAL 45 16.059 -10.329 -21.076 318 HG11 VAL 45 HG11 VAL 45 16.333 -12.764 -20.861 319 HG12 VAL 45 HG12 VAL 45 17.429 -12.817 -22.236 320 HG13 VAL 45 HG13 VAL 45 17.900 -11.945 -20.781 321 HG21 VAL 45 HG21 VAL 45 17.785 -10.555 -23.576 322 HG22 VAL 45 HG22 VAL 45 17.073 -9.097 -22.902 323 HG23 VAL 45 HG23 VAL 45 18.342 -9.977 -21.989 324 H ALA 46 H ALA 46 14.780 -13.687 -23.140 325 HA ALA 46 HA ALA 46 12.216 -13.791 -21.908 326 HB1 ALA 46 HB1 ALA 46 12.685 -16.306 -22.080 327 HB2 ALA 46 HB2 ALA 46 12.866 -15.409 -23.599 328 HB3 ALA 46 HB3 ALA 46 14.314 -15.895 -22.676 329 H ILE 47 H ILE 47 11.518 -14.657 -19.940 330 HA ILE 47 HA ILE 47 13.586 -14.977 -17.815 331 HB ILE 47 HB ILE 47 10.914 -13.569 -17.550 332 HG12 ILE 47 HG12 ILE 47 13.736 -12.473 -17.279 333 HG13 ILE 47 HG13 ILE 47 12.775 -12.308 -18.739 334 HG21 ILE 47 HG21 ILE 47 13.054 -14.064 -15.449 335 HG22 ILE 47 HG22 ILE 47 11.534 -13.149 -15.207 336 HG23 ILE 47 HG23 ILE 47 11.494 -14.893 -15.575 337 HD11 ILE 47 HD11 ILE 47 12.618 -10.296 -17.504 338 HD12 ILE 47 HD12 ILE 47 11.065 -11.084 -17.331 339 HD13 ILE 47 HD13 ILE 47 12.249 -11.106 -16.016 340 H LYS 48 H LYS 48 13.499 -16.932 -16.788 341 HA LYS 48 HA LYS 48 11.593 -18.846 -17.767 342 HB2 LYS 48 HB2 LYS 48 13.932 -19.311 -16.960 343 HB3 LYS 48 HB3 LYS 48 13.409 -19.028 -15.303 344 HG2 LYS 48 HG2 LYS 48 11.836 -20.920 -15.499 345 HG3 LYS 48 HG3 LYS 48 12.393 -21.224 -17.147 346 HD2 LYS 48 HD2 LYS 48 14.188 -21.271 -14.669 347 HD3 LYS 48 HD3 LYS 48 13.446 -22.683 -15.454 348 HE2 LYS 48 HE2 LYS 48 14.636 -22.153 -17.553 349 HE3 LYS 48 HE3 LYS 48 15.447 -20.796 -16.716 350 HZ1 LYS 48 HZ1 LYS 48 16.431 -22.434 -15.244 351 HZ2 LYS 48 HZ2 LYS 48 16.839 -22.734 -16.792 352 HZ3 LYS 48 HZ3 LYS 48 15.710 -23.681 -16.048 353 H GLY 49 H GLY 49 11.701 -16.900 -14.725 354 HA2 GLY 49 HA2 GLY 49 8.891 -16.925 -14.330 355 HA3 GLY 49 HA3 GLY 49 9.557 -18.324 -13.464 356 H LEU 50 H LEU 50 8.429 -16.844 -11.787 357 HA LEU 50 HA LEU 50 10.605 -15.510 -10.370 358 HB2 LEU 50 HB2 LEU 50 9.534 -13.493 -9.883 359 HB3 LEU 50 HB3 LEU 50 9.607 -13.662 -11.639 360 HG LEU 50 HG LEU 50 7.127 -14.064 -9.954 361 HD11 LEU 50 HD11 LEU 50 8.172 -11.709 -11.531 362 HD12 LEU 50 HD12 LEU 50 7.855 -11.802 -9.782 363 HD13 LEU 50 HD13 LEU 50 6.514 -11.843 -10.944 364 HD21 LEU 50 HD21 LEU 50 7.400 -13.829 -12.979 365 HD22 LEU 50 HD22 LEU 50 5.874 -13.752 -12.064 366 HD23 LEU 50 HD23 LEU 50 6.789 -15.255 -12.082 367 H GLU 51 H GLU 51 10.250 -15.380 -8.132 368 HA GLU 51 HA GLU 51 7.827 -16.693 -7.049 369 HB2 GLU 51 HB2 GLU 51 9.003 -18.632 -6.234 370 HB3 GLU 51 HB3 GLU 51 9.163 -18.541 -7.992 371 HG2 GLU 51 HG2 GLU 51 11.447 -17.581 -7.712 372 HG3 GLU 51 HG3 GLU 51 11.253 -17.791 -5.967 373 H THR 52 H THR 52 8.034 -17.062 -4.667 374 HA THR 52 HA THR 52 10.040 -15.272 -3.411 375 HB THR 52 HB THR 52 8.364 -14.878 -1.581 376 HG1 THR 52 HG1 THR 52 6.607 -16.210 -3.371 377 HG21 THR 52 HG21 THR 52 7.043 -14.326 -4.181 378 HG22 THR 52 HG22 THR 52 8.457 -13.424 -3.668 379 HG23 THR 52 HG23 THR 52 6.939 -13.377 -2.708 380 HA PRO 53 HA PRO 53 10.808 -19.488 -1.807 381 HB2 PRO 53 HB2 PRO 53 13.464 -19.375 -1.426 382 HB3 PRO 53 HB3 PRO 53 12.760 -19.525 -3.050 383 HG2 PRO 53 HG2 PRO 53 13.763 -17.121 -1.560 384 HG3 PRO 53 HG3 PRO 53 14.139 -17.680 -3.216 385 HD2 PRO 53 HD2 PRO 53 12.216 -15.775 -2.762 386 HD3 PRO 53 HD3 PRO 53 12.088 -16.936 -4.120 387 H ASP 54 H ASP 54 11.557 -16.375 -0.332 388 HA ASP 54 HA ASP 54 12.443 -17.411 2.227 389 HB2 ASP 54 HB2 ASP 54 11.377 -14.733 1.320 390 HB3 ASP 54 HB3 ASP 54 11.890 -15.094 2.984 391 H ALA 55 H ALA 55 11.300 -17.146 4.249 392 HA ALA 55 HA ALA 55 8.726 -18.400 4.129 393 HB1 ALA 55 HB1 ALA 55 8.641 -18.076 6.537 394 HB2 ALA 55 HB2 ALA 55 10.297 -18.556 6.086 395 HB3 ALA 55 HB3 ALA 55 9.966 -16.871 6.487 396 H ASP 56 H ASP 56 9.699 -15.009 4.199 397 HA ASP 56 HA ASP 56 6.861 -14.188 4.467 398 HB2 ASP 56 HB2 ASP 56 7.733 -11.945 4.760 399 HB3 ASP 56 HB3 ASP 56 8.545 -13.001 5.889 400 H LYS 57 H LYS 57 6.412 -12.025 2.976 401 HA LYS 57 HA LYS 57 6.931 -13.035 0.217 402 HB2 LYS 57 HB2 LYS 57 4.749 -11.213 1.322 403 HB3 LYS 57 HB3 LYS 57 4.843 -11.818 -0.351 404 HG2 LYS 57 HG2 LYS 57 4.408 -13.475 2.198 405 HG3 LYS 57 HG3 LYS 57 3.172 -13.019 1.020 406 HD2 LYS 57 HD2 LYS 57 4.439 -14.160 -0.796 407 HD3 LYS 57 HD3 LYS 57 5.644 -14.699 0.408 408 HE2 LYS 57 HE2 LYS 57 3.883 -15.891 1.627 409 HE3 LYS 57 HE3 LYS 57 2.709 -15.413 0.405 410 HZ1 LYS 57 HZ1 LYS 57 4.008 -16.596 -1.234 411 HZ2 LYS 57 HZ2 LYS 57 3.736 -17.641 0.006 412 HZ3 LYS 57 HZ3 LYS 57 5.215 -16.933 -0.182 413 H LYS 58 H LYS 58 8.240 -10.741 2.183 414 HA LYS 58 HA LYS 58 8.019 -8.411 0.432 415 HB2 LYS 58 HB2 LYS 58 9.925 -8.945 2.721 416 HB3 LYS 58 HB3 LYS 58 9.735 -7.417 1.906 417 HG2 LYS 58 HG2 LYS 58 7.345 -7.270 2.649 418 HG3 LYS 58 HG3 LYS 58 7.604 -8.781 3.582 419 HD2 LYS 58 HD2 LYS 58 9.162 -6.213 3.941 420 HD3 LYS 58 HD3 LYS 58 7.798 -6.696 4.953 421 HE2 LYS 58 HE2 LYS 58 9.045 -8.801 5.562 422 HE3 LYS 58 HE3 LYS 58 10.447 -8.163 4.658 423 HZ1 LYS 58 HZ1 LYS 58 10.387 -6.237 6.222 424 HZ2 LYS 58 HZ2 LYS 58 10.608 -7.677 7.024 425 HZ3 LYS 58 HZ3 LYS 58 9.127 -6.925 7.040 426 H THR 59 H THR 59 10.161 -11.119 0.672 427 HA THR 59 HA THR 59 12.122 -9.893 -1.154 428 HB THR 59 HB THR 59 11.968 -12.733 -0.108 429 HG1 THR 59 HG1 THR 59 13.572 -12.074 1.329 430 HG21 THR 59 HG21 THR 59 14.366 -12.849 -0.784 431 HG22 THR 59 HG22 THR 59 14.242 -11.223 -1.498 432 HG23 THR 59 HG23 THR 59 13.294 -12.594 -2.155 433 H LEU 60 H LEU 60 12.089 -10.170 -3.339 434 HA LEU 60 HA LEU 60 10.240 -12.163 -4.479 435 HB2 LEU 60 HB2 LEU 60 9.360 -9.833 -4.593 436 HB3 LEU 60 HB3 LEU 60 10.817 -9.334 -5.445 437 HG LEU 60 HG LEU 60 8.785 -9.463 -6.829 438 HD11 LEU 60 HD11 LEU 60 10.780 -11.517 -7.823 439 HD12 LEU 60 HD12 LEU 60 10.997 -9.732 -7.878 440 HD13 LEU 60 HD13 LEU 60 9.675 -10.517 -8.791 441 HD21 LEU 60 HD21 LEU 60 7.917 -11.741 -7.515 442 HD22 LEU 60 HD22 LEU 60 7.621 -11.323 -5.814 443 HD23 LEU 60 HD23 LEU 60 8.905 -12.458 -6.253 444 H VAL 61 H VAL 61 11.221 -13.492 -6.040 445 HA VAL 61 HA VAL 61 13.984 -12.631 -6.875 446 HB VAL 61 HB VAL 61 12.942 -15.461 -6.231 447 HG11 VAL 61 HG11 VAL 61 15.725 -14.579 -7.091 448 HG12 VAL 61 HG12 VAL 61 15.401 -16.154 -6.326 449 HG13 VAL 61 HG13 VAL 61 14.623 -15.719 -7.891 450 HG21 VAL 61 HG21 VAL 61 14.644 -13.533 -4.660 451 HG22 VAL 61 HG22 VAL 61 13.119 -14.362 -4.181 452 HG23 VAL 61 HG23 VAL 61 14.651 -15.260 -4.326 453 H VAL 62 H VAL 62 14.538 -12.683 -8.959 454 HA VAL 62 HA VAL 62 12.585 -13.829 -10.919 455 HB VAL 62 HB VAL 62 14.517 -11.480 -11.224 456 HG11 VAL 62 HG11 VAL 62 13.554 -11.129 -13.403 457 HG12 VAL 62 HG12 VAL 62 14.058 -12.817 -13.354 458 HG13 VAL 62 HG13 VAL 62 12.359 -12.396 -13.170 459 HG21 VAL 62 HG21 VAL 62 11.497 -11.612 -10.848 460 HG22 VAL 62 HG22 VAL 62 12.654 -10.887 -9.773 461 HG23 VAL 62 HG23 VAL 62 12.349 -10.159 -11.336 462 H THR 63 H THR 63 13.370 -15.349 -12.397 463 HA THR 63 HA THR 63 16.341 -15.767 -12.369 464 HB THR 63 HB THR 63 14.218 -17.915 -12.823 465 HG1 THR 63 HG1 THR 63 14.288 -17.187 -10.633 466 HG21 THR 63 HG21 THR 63 16.277 -18.443 -13.912 467 HG22 THR 63 HG22 THR 63 16.159 -19.440 -12.454 468 HG23 THR 63 HG23 THR 63 17.224 -18.040 -12.493 469 HA PRO 64 HA PRO 64 15.766 -14.694 -16.697 470 HB2 PRO 64 HB2 PRO 64 18.351 -14.826 -17.516 471 HB3 PRO 64 HB3 PRO 64 17.806 -13.522 -16.437 472 HG2 PRO 64 HG2 PRO 64 19.125 -16.101 -15.696 473 HG3 PRO 64 HG3 PRO 64 19.613 -14.441 -15.263 474 HD2 PRO 64 HD2 PRO 64 18.105 -15.924 -13.536 475 HD3 PRO 64 HD3 PRO 64 17.756 -14.173 -13.780 476 H ALA 65 H ALA 65 15.801 -15.795 -18.746 477 HA ALA 65 HA ALA 65 15.600 -18.685 -18.531 478 HB1 ALA 65 HB1 ALA 65 15.413 -16.869 -20.960 479 HB2 ALA 65 HB2 ALA 65 14.996 -18.580 -20.913 480 HB3 ALA 65 HB3 ALA 65 14.066 -17.428 -19.949 481 H ALA 66 H ALA 66 18.112 -16.529 -19.433 482 HA ALA 66 HA ALA 66 19.920 -18.758 -20.080 483 HB1 ALA 66 HB1 ALA 66 18.952 -18.094 -22.362 484 HB2 ALA 66 HB2 ALA 66 19.445 -16.441 -22.064 485 HB3 ALA 66 HB3 ALA 66 20.634 -17.693 -22.229 486 HA PRO 67 HA PRO 67 22.523 -16.141 -17.754 487 HB2 PRO 67 HB2 PRO 67 25.037 -16.627 -18.742 488 HB3 PRO 67 HB3 PRO 67 24.137 -17.826 -17.807 489 HG2 PRO 67 HG2 PRO 67 24.363 -17.515 -20.794 490 HG3 PRO 67 HG3 PRO 67 24.701 -18.951 -19.842 491 HD2 PRO 67 HD2 PRO 67 22.315 -18.668 -21.031 492 HD3 PRO 67 HD3 PRO 67 22.351 -19.264 -19.320 493 H LEU 68 H LEU 68 23.653 -14.082 -17.876 494 HA LEU 68 HA LEU 68 23.036 -12.690 -20.375 495 HB2 LEU 68 HB2 LEU 68 23.858 -11.577 -17.712 496 HB3 LEU 68 HB3 LEU 68 23.311 -10.623 -19.048 497 HG LEU 68 HG LEU 68 21.683 -12.652 -17.481 498 HD11 LEU 68 HD11 LEU 68 21.449 -9.619 -17.488 499 HD12 LEU 68 HD12 LEU 68 22.259 -10.562 -16.215 500 HD13 LEU 68 HD13 LEU 68 20.525 -10.778 -16.510 501 HD21 LEU 68 HD21 LEU 68 20.851 -12.479 -19.801 502 HD22 LEU 68 HD22 LEU 68 20.738 -10.740 -19.606 503 HD23 LEU 68 HD23 LEU 68 19.705 -11.810 -18.622 504 H ALA 69 H ALA 69 24.444 -11.693 -21.686 505 HA ALA 69 HA ALA 69 27.302 -12.306 -21.375 506 HB1 ALA 69 HB1 ALA 69 27.486 -11.419 -23.654 507 HB2 ALA 69 HB2 ALA 69 26.000 -12.383 -23.584 508 HB3 ALA 69 HB3 ALA 69 25.903 -10.630 -23.504 509 H ALA 70 H ALA 70 28.887 -10.354 -21.763 510 HA ALA 70 HA ALA 70 28.465 -8.333 -19.785 511 HB1 ALA 70 HB1 ALA 70 30.315 -8.348 -22.226 512 HB2 ALA 70 HB2 ALA 70 30.471 -7.246 -20.837 513 HB3 ALA 70 HB3 ALA 70 30.718 -8.989 -20.635 514 H GLY 71 H GLY 71 27.750 -6.169 -19.935 515 HA2 GLY 71 HA2 GLY 71 27.341 -4.439 -21.905 516 HA3 GLY 71 HA3 GLY 71 26.106 -5.636 -22.348 517 H ASN 72 H ASN 72 25.024 -3.370 -22.122 518 HA ASN 72 HA ASN 72 24.175 -2.708 -19.334 519 HB2 ASN 72 HB2 ASN 72 24.822 -1.009 -21.077 520 HB3 ASN 72 HB3 ASN 72 23.393 -1.494 -21.976 521 HD21 ASN 72 HD21 ASN 72 22.247 0.313 -21.851 522 HD22 ASN 72 HD22 ASN 72 21.627 0.993 -20.364 523 H TYR 73 H TYR 73 22.285 -3.174 -18.378 524 HA TYR 73 HA TYR 73 20.075 -4.245 -20.111 525 HB2 TYR 73 HB2 TYR 73 21.014 -5.269 -17.353 526 HB3 TYR 73 HB3 TYR 73 19.576 -5.796 -18.236 527 HD1 TYR 73 HD1 TYR 73 23.312 -5.739 -18.463 528 HD2 TYR 73 HD2 TYR 73 19.648 -7.471 -19.966 529 HE1 TYR 73 HE1 TYR 73 24.581 -7.440 -19.744 530 HE2 TYR 73 HE2 TYR 73 20.955 -9.193 -21.174 531 HH TYR 73 HH TYR 73 24.485 -9.308 -21.067 532 H LYS 74 H LYS 74 17.986 -3.988 -19.401 533 HA LYS 74 HA LYS 74 17.499 -1.960 -17.238 534 HB2 LYS 74 HB2 LYS 74 17.085 -1.033 -19.560 535 HB3 LYS 74 HB3 LYS 74 15.988 -2.411 -19.831 536 HG2 LYS 74 HG2 LYS 74 14.549 -0.588 -19.365 537 HG3 LYS 74 HG3 LYS 74 14.588 -1.621 -17.915 538 HD2 LYS 74 HD2 LYS 74 14.514 0.551 -17.069 539 HD3 LYS 74 HD3 LYS 74 16.208 0.069 -16.866 540 HE2 LYS 74 HE2 LYS 74 16.797 1.304 -18.928 541 HE3 LYS 74 HE3 LYS 74 15.083 1.752 -19.144 542 HZ1 LYS 74 HZ1 LYS 74 16.578 2.525 -16.740 543 HZ2 LYS 74 HZ2 LYS 74 15.097 3.047 -17.255 544 HZ3 LYS 74 HZ3 LYS 74 16.449 3.472 -18.097 545 H VAL 75 H VAL 75 16.050 -2.567 -15.676 546 HA VAL 75 HA VAL 75 14.445 -5.022 -16.206 547 HB VAL 75 HB VAL 75 15.525 -4.006 -13.533 548 HG11 VAL 75 HG11 VAL 75 14.531 -6.159 -12.640 549 HG12 VAL 75 HG12 VAL 75 13.319 -4.993 -13.216 550 HG13 VAL 75 HG13 VAL 75 13.749 -6.411 -14.252 551 HG21 VAL 75 HG21 VAL 75 17.210 -5.125 -15.035 552 HG22 VAL 75 HG22 VAL 75 16.920 -5.936 -13.528 553 HG23 VAL 75 HG23 VAL 75 16.178 -6.572 -14.995 554 H VAL 76 H VAL 76 12.340 -4.673 -16.241 555 HA VAL 76 HA VAL 76 11.189 -2.216 -14.955 556 HB VAL 76 HB VAL 76 10.340 -3.611 -17.486 557 HG11 VAL 76 HG11 VAL 76 8.418 -2.832 -16.293 558 HG12 VAL 76 HG12 VAL 76 9.185 -1.221 -16.046 559 HG13 VAL 76 HG13 VAL 76 8.706 -1.768 -17.677 560 HG21 VAL 76 HG21 VAL 76 12.337 -2.277 -17.869 561 HG22 VAL 76 HG22 VAL 76 10.945 -1.479 -18.595 562 HG23 VAL 76 HG23 VAL 76 11.585 -0.855 -17.037 563 H TRP 77 H TRP 77 9.547 -2.633 -13.465 564 HA TRP 77 HA TRP 77 8.385 -5.333 -13.659 565 HB2 TRP 77 HB2 TRP 77 8.717 -5.757 -11.235 566 HB3 TRP 77 HB3 TRP 77 10.201 -5.701 -12.137 567 HD1 TRP 77 HD1 TRP 77 11.913 -3.720 -11.634 568 HE1 TRP 77 HE1 TRP 77 12.175 -1.896 -9.870 569 HE3 TRP 77 HE3 TRP 77 7.374 -4.278 -9.488 570 HZ2 TRP 77 HZ2 TRP 77 10.503 -0.732 -7.884 571 HZ3 TRP 77 HZ3 TRP 77 6.761 -2.783 -7.539 572 HH2 TRP 77 HH2 TRP 77 8.288 -0.960 -6.844 573 H ASN 78 H ASN 78 6.381 -5.647 -12.876 574 HA ASN 78 HA ASN 78 4.937 -3.276 -11.727 575 HB2 ASN 78 HB2 ASN 78 3.843 -5.452 -13.557 576 HB3 ASN 78 HB3 ASN 78 2.858 -4.204 -12.797 577 HD21 ASN 78 HD21 ASN 78 3.804 -4.979 -15.657 578 HD22 ASN 78 HD22 ASN 78 4.109 -3.409 -16.354 579 H ALA 79 H ALA 79 4.305 -3.854 -9.609 580 HA ALA 79 HA ALA 79 4.093 -6.764 -8.969 581 HB1 ALA 79 HB1 ALA 79 5.056 -6.253 -6.775 582 HB2 ALA 79 HB2 ALA 79 6.151 -5.804 -8.059 583 HB3 ALA 79 HB3 ALA 79 5.233 -4.570 -7.215 584 H VAL 80 H VAL 80 2.386 -7.331 -7.559 585 HA VAL 80 HA VAL 80 0.513 -5.137 -6.925 586 HB VAL 80 HB VAL 80 -0.124 -8.090 -7.372 587 HG11 VAL 80 HG11 VAL 80 -1.640 -7.246 -5.701 588 HG12 VAL 80 HG12 VAL 80 -2.011 -5.804 -6.710 589 HG13 VAL 80 HG13 VAL 80 -2.527 -7.438 -7.202 590 HG21 VAL 80 HG21 VAL 80 -1.363 -7.333 -9.394 591 HG22 VAL 80 HG22 VAL 80 -0.848 -5.671 -9.072 592 HG23 VAL 80 HG23 VAL 80 0.325 -6.935 -9.520 593 H SER 81 H SER 81 0.185 -4.738 -4.847 594 HA SER 81 HA SER 81 1.873 -6.121 -2.960 595 HB2 SER 81 HB2 SER 81 1.073 -4.524 -1.371 596 HB3 SER 81 HB3 SER 81 1.450 -3.643 -2.848 597 HG SER 81 HG SER 81 -0.484 -2.988 -2.075 598 H VAL 82 H VAL 82 1.060 -6.956 -0.848 599 HA VAL 82 HA VAL 82 -1.117 -8.829 -1.349 600 HB VAL 82 HB VAL 82 -0.921 -9.473 1.062 601 HG11 VAL 82 HG11 VAL 82 1.727 -9.109 -0.419 602 HG12 VAL 82 HG12 VAL 82 1.564 -10.008 1.119 603 HG13 VAL 82 HG13 VAL 82 0.682 -10.542 -0.295 604 HG21 VAL 82 HG21 VAL 82 0.689 -8.337 2.554 605 HG22 VAL 82 HG22 VAL 82 1.082 -7.158 1.250 606 HG23 VAL 82 HG23 VAL 82 -0.546 -7.187 1.990 607 H ASP 83 H ASP 83 -1.021 -5.571 -0.637 608 HA ASP 83 HA ASP 83 -3.642 -5.519 0.689 609 HB2 ASP 83 HB2 ASP 83 -1.602 -4.137 1.362 610 HB3 ASP 83 HB3 ASP 83 -1.858 -3.190 -0.100 611 H THR 84 H THR 84 -3.053 -6.364 -2.112 612 HA THR 84 HA THR 84 -3.725 -6.309 -4.201 613 HB THR 84 HB THR 84 -5.972 -6.528 -3.084 614 HG1 THR 84 HG1 THR 84 -5.716 -5.311 -5.633 615 HG21 THR 84 HG21 THR 84 -6.571 -4.490 -2.138 616 HG22 THR 84 HG22 THR 84 -7.539 -4.507 -3.582 617 HG23 THR 84 HG23 THR 84 -6.055 -3.537 -3.570 618 H HIS 85 H HIS 85 -2.945 -3.247 -3.024 619 HA HIS 85 HA HIS 85 -3.586 -1.624 -5.365 620 HB2 HIS 85 HB2 HIS 85 -1.410 -1.425 -3.253 621 HB3 HIS 85 HB3 HIS 85 -1.649 -0.241 -4.559 622 HD1 HIS 85 HD1 HIS 85 -3.406 -1.573 -1.348 623 HD2 HIS 85 HD2 HIS 85 -3.768 1.513 -4.230 624 HE1 HIS 85 HE1 HIS 85 -5.101 0.041 -0.493 625 H LYS 86 H LYS 86 -2.100 -0.999 -7.095 626 HA LYS 86 HA LYS 86 -0.060 -3.044 -7.778 627 HB2 LYS 86 HB2 LYS 86 -2.032 -2.763 -9.332 628 HB3 LYS 86 HB3 LYS 86 -1.517 -1.088 -9.580 629 HG2 LYS 86 HG2 LYS 86 0.638 -1.952 -10.577 630 HG3 LYS 86 HG3 LYS 86 0.021 -3.615 -10.395 631 HD2 LYS 86 HD2 LYS 86 -1.946 -3.009 -11.767 632 HD3 LYS 86 HD3 LYS 86 -1.282 -1.377 -11.980 633 HE2 LYS 86 HE2 LYS 86 0.735 -2.398 -13.099 634 HE3 LYS 86 HE3 LYS 86 0.019 -4.003 -12.865 635 HZ1 LYS 86 HZ1 LYS 86 -0.424 -3.172 -15.081 636 HZ2 LYS 86 HZ2 LYS 86 -1.157 -1.791 -14.508 637 HZ3 LYS 86 HZ3 LYS 86 -1.819 -3.270 -14.255 638 H SER 87 H SER 87 2.052 -2.413 -8.249 639 HA SER 87 HA SER 87 2.622 0.525 -8.170 640 HB2 SER 87 HB2 SER 87 3.961 -1.645 -6.517 641 HB3 SER 87 HB3 SER 87 4.462 0.080 -6.584 642 HG SER 87 HG SER 87 1.850 -0.138 -6.077 643 H ASN 88 H ASN 88 4.839 0.951 -9.083 644 HA ASN 88 HA ASN 88 6.104 -1.320 -10.470 645 HB2 ASN 88 HB2 ASN 88 6.020 -0.365 -12.684 646 HB3 ASN 88 HB3 ASN 88 4.371 -0.556 -12.090 647 HD21 ASN 88 HD21 ASN 88 6.244 1.422 -13.820 648 HD22 ASN 88 HD22 ASN 88 5.480 2.925 -13.424 649 H GLY 89 H GLY 89 8.103 -0.616 -11.685 650 HA2 GLY 89 HA2 GLY 89 9.296 1.933 -11.288 651 HA3 GLY 89 HA3 GLY 89 9.848 0.842 -10.022 652 H GLU 90 H GLU 90 11.883 1.524 -11.453 653 HA GLU 90 HA GLU 90 12.502 -0.811 -13.138 654 HB2 GLU 90 HB2 GLU 90 13.136 0.508 -15.091 655 HB3 GLU 90 HB3 GLU 90 11.432 0.825 -14.705 656 HG2 GLU 90 HG2 GLU 90 12.078 2.995 -13.677 657 HG3 GLU 90 HG3 GLU 90 13.767 2.609 -14.093 658 H TYR 91 H TYR 91 14.878 -0.917 -13.617 659 HA TYR 91 HA TYR 91 16.565 1.211 -12.578 660 HB2 TYR 91 HB2 TYR 91 17.843 -0.192 -11.018 661 HB3 TYR 91 HB3 TYR 91 16.172 -0.034 -10.486 662 HD1 TYR 91 HD1 TYR 91 18.797 -2.348 -11.694 663 HD2 TYR 91 HD2 TYR 91 14.660 -2.016 -10.499 664 HE1 TYR 91 HE1 TYR 91 18.707 -4.831 -11.416 665 HE2 TYR 91 HE2 TYR 91 14.568 -4.518 -10.272 666 HH TYR 91 HH TYR 91 15.748 -6.503 -10.388 667 H SER 92 H SER 92 18.936 0.632 -13.179 668 HA SER 92 HA SER 92 19.059 -1.470 -15.284 669 HB2 SER 92 HB2 SER 92 20.210 0.084 -16.831 670 HB3 SER 92 HB3 SER 92 18.602 0.736 -16.415 671 HG SER 92 HG SER 92 19.587 2.108 -14.928 672 H PHE 93 H PHE 93 21.221 -2.157 -15.849 673 HA PHE 93 HA PHE 93 23.406 -1.343 -14.064 674 HB2 PHE 93 HB2 PHE 93 23.675 -3.466 -12.903 675 HB3 PHE 93 HB3 PHE 93 22.051 -2.869 -12.582 676 HD1 PHE 93 HD1 PHE 93 24.087 -5.485 -14.164 677 HD2 PHE 93 HD2 PHE 93 20.071 -4.034 -13.635 678 HE1 PHE 93 HE1 PHE 93 23.149 -7.677 -15.025 679 HE2 PHE 93 HE2 PHE 93 19.141 -6.163 -14.431 680 HZ PHE 93 HZ PHE 93 20.689 -7.981 -15.128 681 H LYS 94 H LYS 94 25.398 -2.849 -14.436 682 HA LYS 94 HA LYS 94 25.331 -3.718 -17.286 683 HB2 LYS 94 HB2 LYS 94 26.548 -1.538 -16.983 684 HB3 LYS 94 HB3 LYS 94 27.645 -2.337 -15.856 685 HG2 LYS 94 HG2 LYS 94 28.446 -3.772 -17.730 686 HG3 LYS 94 HG3 LYS 94 27.370 -2.933 -18.871 687 HD2 LYS 94 HD2 LYS 94 28.465 -0.737 -18.236 688 HD3 LYS 94 HD3 LYS 94 29.614 -1.646 -17.214 689 HE2 LYS 94 HE2 LYS 94 30.354 -2.932 -19.308 690 HE3 LYS 94 HE3 LYS 94 29.220 -1.932 -20.257 691 HZ1 LYS 94 HZ1 LYS 94 31.319 -0.923 -20.450 692 HZ2 LYS 94 HZ2 LYS 94 31.607 -0.987 -18.809 693 HZ3 LYS 94 HZ3 LYS 94 30.441 0.032 -19.394 694 H VAL 95 H VAL 95 26.164 -5.636 -17.777 695 HA VAL 95 HA VAL 95 27.329 -7.240 -15.521 696 HB VAL 95 HB VAL 95 26.572 -8.025 -18.391 697 HG11 VAL 95 HG11 VAL 95 26.806 -10.367 -17.535 698 HG12 VAL 95 HG12 VAL 95 28.369 -9.532 -17.629 699 HG13 VAL 95 HG13 VAL 95 27.534 -9.757 -16.054 700 HG21 VAL 95 HG21 VAL 95 24.635 -7.487 -16.850 701 HG22 VAL 95 HG22 VAL 95 24.743 -9.207 -17.241 702 HG23 VAL 95 HG23 VAL 95 25.270 -8.680 -15.682 703 H GLY 96 H GLY 96 29.487 -7.625 -15.280 704 HA2 GLY 96 HA2 GLY 96 31.367 -7.649 -17.407 705 HA3 GLY 96 HA3 GLY 96 31.348 -6.025 -16.697 706 H GLN 97 H GLN 97 30.855 -9.062 -14.925 707 HA GLN 97 HA GLN 97 31.988 -10.168 -13.289 708 HB2 GLN 97 HB2 GLN 97 34.020 -9.983 -14.715 709 HB3 GLN 97 HB3 GLN 97 34.416 -8.484 -13.875 710 HG2 GLN 97 HG2 GLN 97 34.564 -9.648 -11.729 711 HG3 GLN 97 HG3 GLN 97 34.171 -11.199 -12.459 712 HE21 GLN 97 HE21 GLN 97 35.867 -12.432 -12.689 713 HE22 GLN 97 HE22 GLN 97 37.460 -11.924 -13.163 Start of MODEL 12 1 H1 HIS 1 H1 HIS 1 3.720 1.202 1.648 2 H2 HIS 1 H2 HIS 1 2.062 1.006 1.811 3 H3 HIS 1 H3 HIS 1 3.051 -0.296 2.146 4 HA HIS 1 HA HIS 1 2.045 -0.656 0.018 5 HB2 HIS 1 HB2 HIS 1 3.219 2.050 -0.768 6 HB3 HIS 1 HB3 HIS 1 2.322 0.960 -1.823 7 HD1 HIS 1 HD1 HIS 1 1.875 3.639 0.796 8 HD2 HIS 1 HD2 HIS 1 -0.467 0.823 -1.238 9 HE1 HIS 1 HE1 HIS 1 -0.499 4.363 0.997 10 H ALA 2 H ALA 2 3.236 -1.739 -1.700 11 HA ALA 2 HA ALA 2 5.935 -2.289 -0.827 12 HB1 ALA 2 HB1 ALA 2 4.490 -3.226 -3.362 13 HB2 ALA 2 HB2 ALA 2 5.938 -3.936 -2.622 14 HB3 ALA 2 HB3 ALA 2 4.384 -4.024 -1.775 15 H HIS 3 H HIS 3 7.606 -1.010 -1.216 16 HA HIS 3 HA HIS 3 8.180 -0.106 -4.005 17 HB2 HIS 3 HB2 HIS 3 8.597 1.553 -1.509 18 HB3 HIS 3 HB3 HIS 3 9.172 1.947 -3.170 19 HD1 HIS 3 HD1 HIS 3 7.140 2.247 -5.029 20 HD2 HIS 3 HD2 HIS 3 6.048 2.393 -0.975 21 HE1 HIS 3 HE1 HIS 3 4.768 3.178 -4.879 22 H LEU 4 H LEU 4 10.456 -0.115 -4.457 23 HA LEU 4 HA LEU 4 11.803 -2.336 -3.248 24 HB2 LEU 4 HB2 LEU 4 11.958 -1.654 -5.676 25 HB3 LEU 4 HB3 LEU 4 12.762 -0.225 -5.189 26 HG LEU 4 HG LEU 4 14.669 -1.684 -4.398 27 HD11 LEU 4 HD11 LEU 4 14.703 -4.000 -5.242 28 HD12 LEU 4 HD12 LEU 4 13.033 -3.849 -5.756 29 HD13 LEU 4 HD13 LEU 4 13.457 -3.760 -4.025 30 HD21 LEU 4 HD21 LEU 4 13.784 -1.980 -7.295 31 HD22 LEU 4 HD22 LEU 4 15.476 -2.156 -6.645 32 HD23 LEU 4 HD23 LEU 4 14.649 -0.595 -6.584 33 H LYS 5 H LYS 5 13.311 -2.358 -1.600 34 HA LYS 5 HA LYS 5 14.518 0.253 -0.766 35 HB2 LYS 5 HB2 LYS 5 14.066 -2.212 0.882 36 HB3 LYS 5 HB3 LYS 5 14.956 -0.777 1.411 37 HG2 LYS 5 HG2 LYS 5 12.881 0.583 1.085 38 HG3 LYS 5 HG3 LYS 5 12.051 -0.878 0.598 39 HD2 LYS 5 HD2 LYS 5 11.453 -0.559 2.882 40 HD3 LYS 5 HD3 LYS 5 12.564 -1.932 2.813 41 HE2 LYS 5 HE2 LYS 5 13.134 -0.522 4.698 42 HE3 LYS 5 HE3 LYS 5 14.429 -0.407 3.505 43 HZ1 LYS 5 HZ1 LYS 5 13.422 1.657 2.741 44 HZ2 LYS 5 HZ2 LYS 5 13.706 1.769 4.337 45 HZ3 LYS 5 HZ3 LYS 5 12.182 1.494 3.792 46 H SER 6 H SER 6 15.276 -3.034 -1.727 47 HA SER 6 HA SER 6 18.115 -2.362 -1.915 48 HB2 SER 6 HB2 SER 6 17.947 -3.092 0.424 49 HB3 SER 6 HB3 SER 6 17.100 -4.581 -0.115 50 HG SER 6 HG SER 6 19.364 -4.851 0.243 51 H ALA 7 H ALA 7 19.189 -3.978 -3.288 52 HA ALA 7 HA ALA 7 17.519 -5.956 -4.553 53 HB1 ALA 7 HB1 ALA 7 17.739 -4.999 -6.840 54 HB2 ALA 7 HB2 ALA 7 16.814 -3.991 -5.726 55 HB3 ALA 7 HB3 ALA 7 18.473 -3.541 -6.120 56 H THR 8 H THR 8 18.471 -7.218 -6.203 57 HA THR 8 HA THR 8 21.352 -7.763 -5.872 58 HB THR 8 HB THR 8 19.171 -9.031 -7.622 59 HG1 THR 8 HG1 THR 8 18.623 -9.231 -5.462 60 HG21 THR 8 HG21 THR 8 21.870 -10.050 -6.824 61 HG22 THR 8 HG22 THR 8 21.152 -9.918 -8.486 62 HG23 THR 8 HG23 THR 8 20.550 -11.133 -7.322 63 HA PRO 9 HA PRO 9 23.325 -5.410 -9.247 64 HB2 PRO 9 HB2 PRO 9 21.469 -6.579 -11.309 65 HB3 PRO 9 HB3 PRO 9 23.229 -6.251 -11.310 66 HG2 PRO 9 HG2 PRO 9 21.784 -8.705 -10.189 67 HG3 PRO 9 HG3 PRO 9 23.546 -8.594 -10.565 68 HD2 PRO 9 HD2 PRO 9 22.776 -8.591 -7.912 69 HD3 PRO 9 HD3 PRO 9 23.944 -7.351 -8.454 70 H ALA 10 H ALA 10 22.400 -3.929 -7.827 71 HA ALA 10 HA ALA 10 19.990 -2.519 -8.270 72 HB1 ALA 10 HB1 ALA 10 21.081 -0.848 -6.806 73 HB2 ALA 10 HB2 ALA 10 20.925 -2.483 -6.152 74 HB3 ALA 10 HB3 ALA 10 22.541 -1.901 -6.730 75 H ALA 11 H ALA 11 20.011 -0.095 -8.724 76 HA ALA 11 HA ALA 11 20.917 0.251 -11.320 77 HB1 ALA 11 HB1 ALA 11 20.330 2.477 -9.364 78 HB2 ALA 11 HB2 ALA 11 20.265 2.556 -11.139 79 HB3 ALA 11 HB3 ALA 11 19.082 1.535 -10.241 80 H ASP 12 H ASP 12 22.554 1.105 -12.292 81 HA ASP 12 HA ASP 12 24.641 1.756 -12.759 82 HB2 ASP 12 HB2 ASP 12 23.738 3.758 -11.270 83 HB3 ASP 12 HB3 ASP 12 24.998 3.205 -10.139 84 H SER 13 H SER 13 24.242 -0.648 -10.728 85 HA SER 13 HA SER 13 26.951 -0.724 -9.582 86 HB2 SER 13 HB2 SER 13 26.340 -2.898 -8.729 87 HB3 SER 13 HB3 SER 13 25.034 -1.768 -8.391 88 HG SER 13 HG SER 13 23.846 -2.656 -10.027 89 H THR 14 H THR 14 28.586 -2.326 -10.162 90 HA THR 14 HA THR 14 28.016 -3.615 -12.801 91 HB THR 14 HB THR 14 30.691 -2.534 -11.876 92 HG1 THR 14 HG1 THR 14 28.590 -1.408 -13.315 93 HG21 THR 14 HG21 THR 14 31.239 -2.839 -14.284 94 HG22 THR 14 HG22 THR 14 29.722 -3.766 -14.482 95 HG23 THR 14 HG23 THR 14 31.002 -4.345 -13.393 96 H VAL 15 H VAL 15 27.764 -5.796 -12.403 97 HA VAL 15 HA VAL 15 29.630 -7.057 -10.447 98 HB VAL 15 HB VAL 15 27.761 -8.442 -9.591 99 HG11 VAL 15 HG11 VAL 15 26.786 -6.752 -8.145 100 HG12 VAL 15 HG12 VAL 15 28.465 -6.324 -8.468 101 HG13 VAL 15 HG13 VAL 15 27.186 -5.453 -9.279 102 HG21 VAL 15 HG21 VAL 15 25.998 -6.569 -11.233 103 HG22 VAL 15 HG22 VAL 15 26.206 -8.315 -11.497 104 HG23 VAL 15 HG23 VAL 15 25.448 -7.700 -9.998 105 H ALA 16 H ALA 16 29.646 -9.489 -10.643 106 HA ALA 16 HA ALA 16 29.742 -10.399 -13.428 107 HB1 ALA 16 HB1 ALA 16 31.173 -11.445 -11.698 108 HB2 ALA 16 HB2 ALA 16 29.751 -11.926 -10.791 109 HB3 ALA 16 HB3 ALA 16 30.085 -12.619 -12.420 110 H ALA 17 H ALA 17 28.182 -11.910 -14.382 111 HA ALA 17 HA ALA 17 25.515 -11.157 -13.786 112 HB1 ALA 17 HB1 ALA 17 24.893 -13.099 -15.252 113 HB2 ALA 17 HB2 ALA 17 26.068 -11.940 -15.962 114 HB3 ALA 17 HB3 ALA 17 26.629 -13.499 -15.348 115 HA PRO 18 HA PRO 18 24.877 -13.898 -10.393 116 HB2 PRO 18 HB2 PRO 18 22.342 -13.275 -9.686 117 HB3 PRO 18 HB3 PRO 18 23.661 -12.063 -9.538 118 HG2 PRO 18 HG2 PRO 18 21.708 -12.424 -11.824 119 HG3 PRO 18 HG3 PRO 18 22.036 -10.958 -10.898 120 HD2 PRO 18 HD2 PRO 18 23.245 -11.496 -13.250 121 HD3 PRO 18 HD3 PRO 18 24.127 -10.647 -11.943 122 H ALA 19 H ALA 19 23.446 -15.839 -9.699 123 HA ALA 19 HA ALA 19 22.578 -17.400 -11.981 124 HB1 ALA 19 HB1 ALA 19 21.853 -19.076 -10.344 125 HB2 ALA 19 HB2 ALA 19 23.404 -18.399 -9.758 126 HB3 ALA 19 HB3 ALA 19 21.861 -17.883 -9.019 127 H ASP 20 H ASP 20 20.987 -15.287 -9.549 128 HA ASP 20 HA ASP 20 18.607 -15.074 -11.287 129 HB2 ASP 20 HB2 ASP 20 17.038 -15.585 -9.441 130 HB3 ASP 20 HB3 ASP 20 18.097 -16.951 -9.765 131 H LEU 21 H LEU 21 17.160 -13.271 -10.449 132 HA LEU 21 HA LEU 21 18.877 -11.179 -9.116 133 HB2 LEU 21 HB2 LEU 21 16.532 -10.794 -11.007 134 HB3 LEU 21 HB3 LEU 21 17.447 -9.529 -10.174 135 HG LEU 21 HG LEU 21 19.421 -10.045 -11.535 136 HD11 LEU 21 HD11 LEU 21 19.063 -12.322 -12.276 137 HD12 LEU 21 HD12 LEU 21 19.075 -11.291 -13.709 138 HD13 LEU 21 HD13 LEU 21 17.530 -11.886 -13.062 139 HD21 LEU 21 HD21 LEU 21 18.593 -8.911 -13.561 140 HD22 LEU 21 HD22 LEU 21 17.819 -8.220 -12.147 141 HD23 LEU 21 HD23 LEU 21 16.938 -9.406 -13.145 142 H ARG 22 H ARG 22 18.116 -10.471 -7.162 143 HA ARG 22 HA ARG 22 15.331 -11.285 -6.438 144 HB2 ARG 22 HB2 ARG 22 17.787 -11.271 -4.612 145 HB3 ARG 22 HB3 ARG 22 16.130 -11.687 -4.172 146 HG2 ARG 22 HG2 ARG 22 16.074 -13.467 -5.832 147 HG3 ARG 22 HG3 ARG 22 17.744 -13.103 -6.268 148 HD2 ARG 22 HD2 ARG 22 16.902 -14.036 -3.524 149 HD3 ARG 22 HD3 ARG 22 17.569 -15.066 -4.801 150 HE ARG 22 HE ARG 22 19.348 -12.914 -4.414 151 HH11 ARG 22 HH11 ARG 22 18.321 -15.875 -2.758 152 HH12 ARG 22 HH12 ARG 22 19.899 -16.050 -2.014 153 HH21 ARG 22 HH21 ARG 22 21.241 -13.172 -3.331 154 HH22 ARG 22 HH22 ARG 22 21.513 -14.565 -2.295 155 H LEU 23 H LEU 23 14.044 -9.882 -5.355 156 HA LEU 23 HA LEU 23 15.167 -7.127 -4.945 157 HB2 LEU 23 HB2 LEU 23 12.433 -7.882 -6.036 158 HB3 LEU 23 HB3 LEU 23 12.951 -6.266 -5.649 159 HG LEU 23 HG LEU 23 14.554 -6.256 -7.514 160 HD11 LEU 23 HD11 LEU 23 15.097 -8.559 -7.976 161 HD12 LEU 23 HD12 LEU 23 14.212 -7.922 -9.365 162 HD13 LEU 23 HD13 LEU 23 13.368 -8.978 -8.221 163 HD21 LEU 23 HD21 LEU 23 11.639 -6.929 -8.190 164 HD22 LEU 23 HD22 LEU 23 12.815 -6.051 -9.276 165 HD23 LEU 23 HD23 LEU 23 12.339 -5.336 -7.731 166 H THR 24 H THR 24 14.600 -6.028 -3.047 167 HA THR 24 HA THR 24 12.843 -7.560 -1.169 168 HB THR 24 HB THR 24 15.115 -5.634 -0.504 169 HG1 THR 24 HG1 THR 24 16.174 -7.531 0.206 170 HG21 THR 24 HG21 THR 24 13.457 -7.491 1.240 171 HG22 THR 24 HG22 THR 24 13.380 -5.692 1.272 172 HG23 THR 24 HG23 THR 24 14.849 -6.537 1.786 173 H PHE 25 H PHE 25 10.980 -6.537 -0.615 174 HA PHE 25 HA PHE 25 10.777 -3.603 -1.266 175 HB2 PHE 25 HB2 PHE 25 8.560 -5.723 -1.203 176 HB3 PHE 25 HB3 PHE 25 8.351 -4.031 -1.602 177 HD1 PHE 25 HD1 PHE 25 9.511 -7.299 -2.820 178 HD2 PHE 25 HD2 PHE 25 9.135 -3.109 -3.715 179 HE1 PHE 25 HE1 PHE 25 9.937 -7.770 -5.229 180 HE2 PHE 25 HE2 PHE 25 9.673 -3.560 -6.124 181 HZ PHE 25 HZ PHE 25 10.033 -5.880 -6.896 182 H SER 26 H SER 26 9.441 -2.273 0.038 183 HA SER 26 HA SER 26 9.866 -2.590 2.871 184 HB2 SER 26 HB2 SER 26 9.609 -0.422 1.729 185 HB3 SER 26 HB3 SER 26 7.921 -0.776 1.339 186 HG SER 26 HG SER 26 8.933 -0.673 4.002 187 H GLU 27 H GLU 27 7.142 -3.449 0.778 188 HA GLU 27 HA GLU 27 5.751 -4.707 3.093 189 HB2 GLU 27 HB2 GLU 27 4.571 -2.558 2.425 190 HB3 GLU 27 HB3 GLU 27 4.368 -3.249 0.787 191 HG2 GLU 27 HG2 GLU 27 3.067 -5.143 1.812 192 HG3 GLU 27 HG3 GLU 27 3.239 -4.342 3.380 193 H GLY 28 H GLY 28 4.867 -6.847 2.375 194 HA2 GLY 28 HA2 GLY 28 6.481 -7.854 0.255 195 HA3 GLY 28 HA3 GLY 28 5.203 -8.732 1.125 196 H VAL 29 H VAL 29 5.806 -9.166 -1.597 197 HA VAL 29 HA VAL 29 3.397 -7.975 -2.947 198 HB VAL 29 HB VAL 29 4.713 -8.099 -5.058 199 HG11 VAL 29 HG11 VAL 29 6.210 -6.177 -4.689 200 HG12 VAL 29 HG12 VAL 29 4.645 -5.946 -3.848 201 HG13 VAL 29 HG13 VAL 29 6.110 -6.425 -2.926 202 HG21 VAL 29 HG21 VAL 29 6.285 -9.896 -4.264 203 HG22 VAL 29 HG22 VAL 29 7.030 -8.583 -5.205 204 HG23 VAL 29 HG23 VAL 29 7.194 -8.612 -3.391 205 H GLU 30 H GLU 30 2.364 -9.411 -4.531 206 HA GLU 30 HA GLU 30 2.886 -12.265 -3.756 207 HB2 GLU 30 HB2 GLU 30 0.615 -12.772 -4.363 208 HB3 GLU 30 HB3 GLU 30 0.630 -11.411 -3.214 209 HG2 GLU 30 HG2 GLU 30 0.276 -9.805 -5.028 210 HG3 GLU 30 HG3 GLU 30 0.190 -11.168 -6.197 211 H ALA 31 H ALA 31 3.480 -13.724 -5.250 212 HA ALA 31 HA ALA 31 4.719 -12.718 -7.572 213 HB1 ALA 31 HB1 ALA 31 5.581 -14.649 -6.390 214 HB2 ALA 31 HB2 ALA 31 4.122 -15.556 -6.756 215 HB3 ALA 31 HB3 ALA 31 5.239 -15.083 -8.056 216 H THR 32 H THR 32 1.525 -14.015 -7.154 217 HA THR 32 HA THR 32 1.047 -15.020 -9.747 218 HB THR 32 HB THR 32 -0.925 -13.638 -7.840 219 HG1 THR 32 HG1 THR 32 -1.048 -15.588 -6.828 220 HG21 THR 32 HG21 THR 32 -2.144 -14.162 -9.837 221 HG22 THR 32 HG22 THR 32 -2.468 -15.481 -8.749 222 HG23 THR 32 HG23 THR 32 -1.343 -15.706 -10.051 223 H PHE 33 H PHE 33 0.758 -11.640 -8.613 224 HA PHE 33 HA PHE 33 -0.091 -10.894 -11.368 225 HB2 PHE 33 HB2 PHE 33 -0.512 -9.326 -8.829 226 HB3 PHE 33 HB3 PHE 33 -1.011 -8.840 -10.458 227 HD1 PHE 33 HD1 PHE 33 -2.863 -9.871 -11.575 228 HD2 PHE 33 HD2 PHE 33 -1.693 -11.163 -7.638 229 HE1 PHE 33 HE1 PHE 33 -5.072 -11.017 -11.304 230 HE2 PHE 33 HE2 PHE 33 -3.876 -12.346 -7.384 231 HZ PHE 33 HZ PHE 33 -5.582 -12.193 -9.201 232 H THR 34 H THR 34 2.677 -10.919 -9.476 233 HA THR 34 HA THR 34 3.741 -8.304 -10.309 234 HB THR 34 HB THR 34 5.150 -10.808 -9.242 235 HG1 THR 34 HG1 THR 34 3.858 -10.011 -7.586 236 HG21 THR 34 HG21 THR 34 6.130 -7.927 -9.528 237 HG22 THR 34 HG22 THR 34 6.757 -9.383 -10.336 238 HG23 THR 34 HG23 THR 34 6.925 -9.164 -8.570 239 H LYS 35 H LYS 35 4.896 -7.928 -12.237 240 HA LYS 35 HA LYS 35 5.627 -10.301 -13.836 241 HB2 LYS 35 HB2 LYS 35 3.455 -9.391 -14.544 242 HB3 LYS 35 HB3 LYS 35 4.242 -7.891 -15.050 243 HG2 LYS 35 HG2 LYS 35 4.753 -10.679 -16.213 244 HG3 LYS 35 HG3 LYS 35 3.701 -9.419 -16.935 245 HD2 LYS 35 HD2 LYS 35 5.682 -7.930 -17.215 246 HD3 LYS 35 HD3 LYS 35 6.726 -9.272 -16.669 247 HE2 LYS 35 HE2 LYS 35 5.799 -10.697 -18.511 248 HE3 LYS 35 HE3 LYS 35 4.784 -9.366 -19.026 249 HZ1 LYS 35 HZ1 LYS 35 7.678 -9.099 -18.924 250 HZ2 LYS 35 HZ2 LYS 35 6.626 -8.134 -19.784 251 HZ3 LYS 35 HZ3 LYS 35 6.941 -9.704 -20.232 252 H VAL 36 H VAL 36 7.745 -10.092 -14.654 253 HA VAL 36 HA VAL 36 8.994 -7.408 -14.318 254 HB VAL 36 HB VAL 36 10.204 -10.147 -13.693 255 HG11 VAL 36 HG11 VAL 36 12.150 -8.667 -12.840 256 HG12 VAL 36 HG12 VAL 36 11.982 -8.752 -14.580 257 HG13 VAL 36 HG13 VAL 36 11.413 -7.324 -13.708 258 HG21 VAL 36 HG21 VAL 36 9.284 -7.874 -11.845 259 HG22 VAL 36 HG22 VAL 36 8.735 -9.564 -11.829 260 HG23 VAL 36 HG23 VAL 36 10.390 -9.142 -11.342 261 H SER 37 H SER 37 10.101 -6.661 -16.030 262 HA SER 37 HA SER 37 10.556 -8.544 -18.235 263 HB2 SER 37 HB2 SER 37 10.066 -5.549 -18.313 264 HB3 SER 37 HB3 SER 37 10.410 -6.564 -19.739 265 HG SER 37 HG SER 37 8.131 -6.025 -18.892 266 H LEU 38 H LEU 38 12.590 -8.576 -19.180 267 HA LEU 38 HA LEU 38 14.675 -6.788 -17.991 268 HB2 LEU 38 HB2 LEU 38 14.746 -9.005 -16.855 269 HB3 LEU 38 HB3 LEU 38 14.795 -9.765 -18.434 270 HG LEU 38 HG LEU 38 17.045 -8.885 -18.860 271 HD11 LEU 38 HD11 LEU 38 17.069 -8.033 -15.950 272 HD12 LEU 38 HD12 LEU 38 16.899 -6.916 -17.341 273 HD13 LEU 38 HD13 LEU 38 18.378 -7.893 -17.165 274 HD21 LEU 38 HD21 LEU 38 16.552 -11.085 -17.803 275 HD22 LEU 38 HD22 LEU 38 16.826 -10.369 -16.224 276 HD23 LEU 38 HD23 LEU 38 18.159 -10.439 -17.412 277 H SER 39 H SER 39 16.000 -5.942 -19.606 278 HA SER 39 HA SER 39 15.798 -7.238 -22.272 279 HB2 SER 39 HB2 SER 39 15.461 -4.236 -21.744 280 HB3 SER 39 HB3 SER 39 15.650 -5.024 -23.327 281 HG SER 39 HG SER 39 13.480 -4.735 -22.886 282 H LYS 40 H LYS 40 17.684 -6.910 -23.565 283 HA LYS 40 HA LYS 40 20.049 -5.614 -22.146 284 HB2 LYS 40 HB2 LYS 40 21.526 -7.303 -23.241 285 HB3 LYS 40 HB3 LYS 40 20.288 -8.024 -22.183 286 HG2 LYS 40 HG2 LYS 40 20.219 -9.535 -23.843 287 HG3 LYS 40 HG3 LYS 40 18.939 -8.435 -24.394 288 HD2 LYS 40 HD2 LYS 40 20.621 -7.351 -25.887 289 HD3 LYS 40 HD3 LYS 40 21.824 -8.537 -25.347 290 HE2 LYS 40 HE2 LYS 40 20.364 -10.345 -26.182 291 HE3 LYS 40 HE3 LYS 40 19.183 -9.129 -26.709 292 HZ1 LYS 40 HZ1 LYS 40 21.978 -9.384 -27.708 293 HZ2 LYS 40 HZ2 LYS 40 20.866 -8.286 -28.251 294 HZ3 LYS 40 HZ3 LYS 40 20.651 -9.893 -28.527 295 H ASP 41 H ASP 41 20.749 -3.888 -23.165 296 HA ASP 41 HA ASP 41 20.995 -2.266 -24.722 297 HB2 ASP 41 HB2 ASP 41 22.295 -4.170 -25.788 298 HB3 ASP 41 HB3 ASP 41 20.896 -4.359 -26.884 299 H GLY 42 H GLY 42 18.269 -3.133 -23.987 300 HA2 GLY 42 HA2 GLY 42 16.144 -2.285 -24.502 301 HA3 GLY 42 HA3 GLY 42 16.769 -1.715 -26.060 302 H THR 43 H THR 43 17.375 -5.110 -25.468 303 HA THR 43 HA THR 43 14.962 -5.798 -27.158 304 HB THR 43 HB THR 43 17.666 -7.235 -27.034 305 HG1 THR 43 HG1 THR 43 18.199 -6.050 -28.781 306 HG21 THR 43 HG21 THR 43 15.398 -7.590 -28.965 307 HG22 THR 43 HG22 THR 43 15.741 -8.650 -27.582 308 HG23 THR 43 HG23 THR 43 16.949 -8.479 -28.901 309 H GLU 44 H GLU 44 13.565 -7.256 -26.132 310 HA GLU 44 HA GLU 44 13.905 -7.823 -23.364 311 HB2 GLU 44 HB2 GLU 44 12.033 -9.135 -25.373 312 HB3 GLU 44 HB3 GLU 44 11.976 -9.273 -23.595 313 HG2 GLU 44 HG2 GLU 44 11.658 -6.806 -23.523 314 HG3 GLU 44 HG3 GLU 44 11.572 -6.722 -25.251 315 H VAL 45 H VAL 45 14.365 -9.516 -22.152 316 HA VAL 45 HA VAL 45 15.604 -11.904 -23.469 317 HB VAL 45 HB VAL 45 16.206 -10.560 -20.731 318 HG11 VAL 45 HG11 VAL 45 16.495 -13.013 -20.655 319 HG12 VAL 45 HG12 VAL 45 17.633 -12.937 -22.011 320 HG13 VAL 45 HG13 VAL 45 18.040 -12.174 -20.495 321 HG21 VAL 45 HG21 VAL 45 17.091 -9.300 -22.679 322 HG22 VAL 45 HG22 VAL 45 18.392 -9.995 -21.676 323 HG23 VAL 45 HG23 VAL 45 17.986 -10.762 -23.209 324 H ALA 46 H ALA 46 14.770 -13.849 -22.898 325 HA ALA 46 HA ALA 46 12.174 -13.913 -21.764 326 HB1 ALA 46 HB1 ALA 46 12.501 -16.413 -22.031 327 HB2 ALA 46 HB2 ALA 46 12.801 -15.451 -23.499 328 HB3 ALA 46 HB3 ALA 46 14.169 -16.066 -22.534 329 H ILE 47 H ILE 47 11.354 -14.886 -19.890 330 HA ILE 47 HA ILE 47 13.285 -15.051 -17.618 331 HB ILE 47 HB ILE 47 10.339 -14.171 -17.615 332 HG12 ILE 47 HG12 ILE 47 11.771 -12.439 -18.621 333 HG13 ILE 47 HG13 ILE 47 11.142 -11.924 -17.074 334 HG21 ILE 47 HG21 ILE 47 12.354 -14.351 -15.355 335 HG22 ILE 47 HG22 ILE 47 10.829 -13.459 -15.240 336 HG23 ILE 47 HG23 ILE 47 10.766 -15.213 -15.508 337 HD11 ILE 47 HD11 ILE 47 13.465 -11.229 -17.289 338 HD12 ILE 47 HD12 ILE 47 13.414 -12.524 -16.070 339 HD13 ILE 47 HD13 ILE 47 14.013 -12.821 -17.712 340 H LYS 48 H LYS 48 13.329 -17.021 -16.499 341 HA LYS 48 HA LYS 48 11.827 -19.203 -17.660 342 HB2 LYS 48 HB2 LYS 48 14.124 -19.331 -16.556 343 HB3 LYS 48 HB3 LYS 48 13.351 -19.111 -15.003 344 HG2 LYS 48 HG2 LYS 48 13.820 -21.411 -15.165 345 HG3 LYS 48 HG3 LYS 48 12.096 -21.250 -15.414 346 HD2 LYS 48 HD2 LYS 48 12.865 -22.893 -17.008 347 HD3 LYS 48 HD3 LYS 48 12.534 -21.397 -17.920 348 HE2 LYS 48 HE2 LYS 48 14.896 -20.794 -17.839 349 HE3 LYS 48 HE3 LYS 48 15.252 -22.300 -16.948 350 HZ1 LYS 48 HZ1 LYS 48 14.294 -22.052 -19.761 351 HZ2 LYS 48 HZ2 LYS 48 14.370 -23.515 -18.943 352 HZ3 LYS 48 HZ3 LYS 48 15.754 -22.647 -19.250 353 H GLY 49 H GLY 49 11.542 -17.173 -14.710 354 HA2 GLY 49 HA2 GLY 49 8.769 -17.406 -14.441 355 HA3 GLY 49 HA3 GLY 49 9.449 -18.702 -13.437 356 H LEU 50 H LEU 50 8.241 -17.108 -11.857 357 HA LEU 50 HA LEU 50 10.408 -15.772 -10.450 358 HB2 LEU 50 HB2 LEU 50 9.338 -13.706 -9.986 359 HB3 LEU 50 HB3 LEU 50 9.460 -13.872 -11.734 360 HG LEU 50 HG LEU 50 6.931 -14.275 -10.125 361 HD11 LEU 50 HD11 LEU 50 6.329 -12.059 -10.937 362 HD12 LEU 50 HD12 LEU 50 7.856 -11.937 -11.798 363 HD13 LEU 50 HD13 LEU 50 7.810 -11.983 -10.054 364 HD21 LEU 50 HD21 LEU 50 7.427 -14.181 -13.109 365 HD22 LEU 50 HD22 LEU 50 5.810 -13.918 -12.367 366 HD23 LEU 50 HD23 LEU 50 6.636 -15.465 -12.165 367 H GLU 51 H GLU 51 9.963 -15.611 -8.187 368 HA GLU 51 HA GLU 51 7.485 -16.859 -7.146 369 HB2 GLU 51 HB2 GLU 51 8.620 -18.765 -6.147 370 HB3 GLU 51 HB3 GLU 51 8.885 -18.782 -7.913 371 HG2 GLU 51 HG2 GLU 51 11.127 -17.837 -7.601 372 HG3 GLU 51 HG3 GLU 51 10.858 -17.801 -5.850 373 H THR 52 H THR 52 7.623 -17.173 -4.732 374 HA THR 52 HA THR 52 9.618 -15.220 -3.499 375 HB THR 52 HB THR 52 7.872 -14.810 -1.685 376 HG1 THR 52 HG1 THR 52 6.619 -16.738 -2.270 377 HG21 THR 52 HG21 THR 52 6.445 -13.313 -2.965 378 HG22 THR 52 HG22 THR 52 6.870 -14.114 -4.472 379 HG23 THR 52 HG23 THR 52 8.130 -13.200 -3.527 380 HA PRO 53 HA PRO 53 9.995 -19.487 -1.698 381 HB2 PRO 53 HB2 PRO 53 12.668 -19.537 -1.214 382 HB3 PRO 53 HB3 PRO 53 12.013 -19.696 -2.866 383 HG2 PRO 53 HG2 PRO 53 13.101 -17.267 -1.424 384 HG3 PRO 53 HG3 PRO 53 13.547 -17.945 -3.026 385 HD2 PRO 53 HD2 PRO 53 11.763 -15.908 -2.747 386 HD3 PRO 53 HD3 PRO 53 11.576 -17.096 -4.071 387 H ASP 54 H ASP 54 10.938 -16.383 -0.445 388 HA ASP 54 HA ASP 54 11.918 -17.072 2.144 389 HB2 ASP 54 HB2 ASP 54 12.254 -14.964 0.754 390 HB3 ASP 54 HB3 ASP 54 10.603 -14.492 1.239 391 H ALA 55 H ALA 55 10.891 -16.935 4.180 392 HA ALA 55 HA ALA 55 8.249 -17.973 4.432 393 HB1 ALA 55 HB1 ALA 55 8.523 -17.311 6.838 394 HB2 ALA 55 HB2 ALA 55 10.007 -18.082 6.225 395 HB3 ALA 55 HB3 ALA 55 9.940 -16.329 6.407 396 H ASP 56 H ASP 56 9.414 -14.580 4.267 397 HA ASP 56 HA ASP 56 6.618 -13.677 4.392 398 HB2 ASP 56 HB2 ASP 56 9.178 -12.102 4.722 399 HB3 ASP 56 HB3 ASP 56 7.552 -11.395 4.692 400 H LYS 57 H LYS 57 5.786 -12.384 2.688 401 HA LYS 57 HA LYS 57 6.867 -12.974 0.039 402 HB2 LYS 57 HB2 LYS 57 4.494 -11.605 1.276 403 HB3 LYS 57 HB3 LYS 57 5.000 -11.045 -0.320 404 HG2 LYS 57 HG2 LYS 57 3.303 -12.757 -0.619 405 HG3 LYS 57 HG3 LYS 57 4.842 -13.309 -1.269 406 HD2 LYS 57 HD2 LYS 57 3.804 -15.133 -0.225 407 HD3 LYS 57 HD3 LYS 57 5.156 -14.700 0.826 408 HE2 LYS 57 HE2 LYS 57 3.559 -13.500 2.314 409 HE3 LYS 57 HE3 LYS 57 2.237 -14.020 1.224 410 HZ1 LYS 57 HZ1 LYS 57 4.099 -15.946 2.587 411 HZ2 LYS 57 HZ2 LYS 57 2.715 -16.324 1.770 412 HZ3 LYS 57 HZ3 LYS 57 2.620 -15.532 3.219 413 H LYS 58 H LYS 58 8.081 -10.925 2.241 414 HA LYS 58 HA LYS 58 8.443 -8.421 0.901 415 HB2 LYS 58 HB2 LYS 58 10.179 -9.746 2.955 416 HB3 LYS 58 HB3 LYS 58 10.277 -8.047 2.421 417 HG2 LYS 58 HG2 LYS 58 7.927 -7.677 3.259 418 HG3 LYS 58 HG3 LYS 58 7.981 -9.332 3.943 419 HD2 LYS 58 HD2 LYS 58 9.918 -7.083 4.601 420 HD3 LYS 58 HD3 LYS 58 8.514 -7.528 5.582 421 HE2 LYS 58 HE2 LYS 58 9.454 -9.850 5.798 422 HE3 LYS 58 HE3 LYS 58 10.904 -9.289 4.926 423 HZ1 LYS 58 HZ1 LYS 58 11.197 -7.688 6.787 424 HZ2 LYS 58 HZ2 LYS 58 11.198 -9.263 7.323 425 HZ3 LYS 58 HZ3 LYS 58 9.866 -8.302 7.542 426 H THR 59 H THR 59 9.890 -11.443 0.296 427 HA THR 59 HA THR 59 11.956 -10.093 -1.379 428 HB THR 59 HB THR 59 12.148 -12.833 -0.135 429 HG1 THR 59 HG1 THR 59 13.004 -11.953 1.546 430 HG21 THR 59 HG21 THR 59 14.588 -12.627 -0.721 431 HG22 THR 59 HG22 THR 59 14.160 -11.195 -1.702 432 HG23 THR 59 HG23 THR 59 13.497 -12.795 -2.085 433 H LEU 60 H LEU 60 11.946 -10.467 -3.521 434 HA LEU 60 HA LEU 60 10.113 -12.582 -4.649 435 HB2 LEU 60 HB2 LEU 60 9.229 -10.308 -4.777 436 HB3 LEU 60 HB3 LEU 60 10.681 -9.778 -5.625 437 HG LEU 60 HG LEU 60 8.710 -9.904 -7.021 438 HD11 LEU 60 HD11 LEU 60 11.015 -10.375 -7.987 439 HD12 LEU 60 HD12 LEU 60 9.607 -10.895 -8.962 440 HD13 LEU 60 HD13 LEU 60 10.520 -12.098 -8.007 441 HD21 LEU 60 HD21 LEU 60 8.783 -12.908 -6.592 442 HD22 LEU 60 HD22 LEU 60 7.591 -11.974 -7.555 443 HD23 LEU 60 HD23 LEU 60 7.615 -11.780 -5.797 444 H VAL 61 H VAL 61 11.099 -13.882 -6.207 445 HA VAL 61 HA VAL 61 13.928 -13.190 -6.923 446 HB VAL 61 HB VAL 61 12.642 -15.920 -6.419 447 HG11 VAL 61 HG11 VAL 61 15.543 -15.327 -7.069 448 HG12 VAL 61 HG12 VAL 61 14.883 -16.923 -6.601 449 HG13 VAL 61 HG13 VAL 61 14.370 -16.131 -8.117 450 HG21 VAL 61 HG21 VAL 61 14.592 -14.275 -4.731 451 HG22 VAL 61 HG22 VAL 61 12.946 -14.824 -4.299 452 HG23 VAL 61 HG23 VAL 61 14.260 -15.992 -4.426 453 H VAL 62 H VAL 62 14.425 -13.116 -9.053 454 HA VAL 62 HA VAL 62 12.470 -14.262 -11.037 455 HB VAL 62 HB VAL 62 14.328 -11.818 -11.303 456 HG11 VAL 62 HG11 VAL 62 12.296 -13.036 -13.224 457 HG12 VAL 62 HG12 VAL 62 13.044 -11.450 -13.426 458 HG13 VAL 62 HG13 VAL 62 14.066 -12.916 -13.454 459 HG21 VAL 62 HG21 VAL 62 11.313 -12.002 -10.937 460 HG22 VAL 62 HG22 VAL 62 12.470 -11.265 -9.869 461 HG23 VAL 62 HG23 VAL 62 12.143 -10.547 -11.429 462 H THR 63 H THR 63 13.343 -15.781 -12.480 463 HA THR 63 HA THR 63 16.315 -15.997 -12.477 464 HB THR 63 HB THR 63 14.345 -18.284 -12.869 465 HG1 THR 63 HG1 THR 63 14.633 -18.752 -10.800 466 HG21 THR 63 HG21 THR 63 16.401 -19.676 -12.501 467 HG22 THR 63 HG22 THR 63 17.374 -18.188 -12.608 468 HG23 THR 63 HG23 THR 63 16.412 -18.726 -14.029 469 HA PRO 64 HA PRO 64 15.554 -14.898 -16.747 470 HB2 PRO 64 HB2 PRO 64 18.104 -14.862 -17.688 471 HB3 PRO 64 HB3 PRO 64 17.528 -13.618 -16.554 472 HG2 PRO 64 HG2 PRO 64 19.083 -16.101 -15.929 473 HG3 PRO 64 HG3 PRO 64 19.451 -14.418 -15.485 474 HD2 PRO 64 HD2 PRO 64 18.131 -16.058 -13.726 475 HD3 PRO 64 HD3 PRO 64 17.682 -14.319 -13.909 476 H ALA 65 H ALA 65 15.511 -16.026 -18.788 477 HA ALA 65 HA ALA 65 15.693 -18.950 -18.507 478 HB1 ALA 65 HB1 ALA 65 14.748 -17.403 -20.917 479 HB2 ALA 65 HB2 ALA 65 14.495 -19.115 -20.544 480 HB3 ALA 65 HB3 ALA 65 13.725 -17.869 -19.550 481 H ALA 66 H ALA 66 17.791 -16.600 -19.449 482 HA ALA 66 HA ALA 66 19.518 -18.506 -20.878 483 HB1 ALA 66 HB1 ALA 66 19.976 -16.961 -22.746 484 HB2 ALA 66 HB2 ALA 66 18.200 -17.230 -22.640 485 HB3 ALA 66 HB3 ALA 66 18.863 -15.699 -22.007 486 HA PRO 67 HA PRO 67 22.275 -16.536 -18.152 487 HB2 PRO 67 HB2 PRO 67 24.693 -16.753 -19.401 488 HB3 PRO 67 HB3 PRO 67 23.833 -18.176 -18.773 489 HG2 PRO 67 HG2 PRO 67 23.903 -17.044 -21.557 490 HG3 PRO 67 HG3 PRO 67 24.243 -18.699 -21.051 491 HD2 PRO 67 HD2 PRO 67 21.805 -18.081 -21.976 492 HD3 PRO 67 HD3 PRO 67 21.952 -19.136 -20.517 493 H LEU 68 H LEU 68 23.462 -14.592 -17.788 494 HA LEU 68 HA LEU 68 22.950 -12.476 -19.800 495 HB2 LEU 68 HB2 LEU 68 23.939 -12.240 -16.931 496 HB3 LEU 68 HB3 LEU 68 23.459 -10.904 -17.946 497 HG LEU 68 HG LEU 68 21.615 -13.102 -16.893 498 HD11 LEU 68 HD11 LEU 68 20.724 -11.422 -15.400 499 HD12 LEU 68 HD12 LEU 68 21.822 -10.208 -16.049 500 HD13 LEU 68 HD13 LEU 68 22.480 -11.572 -15.156 501 HD21 LEU 68 HD21 LEU 68 20.815 -10.551 -18.220 502 HD22 LEU 68 HD22 LEU 68 19.769 -11.866 -17.666 503 HD23 LEU 68 HD23 LEU 68 20.848 -12.112 -19.060 504 H ALA 69 H ALA 69 24.631 -11.205 -20.619 505 HA ALA 69 HA ALA 69 27.398 -12.291 -20.302 506 HB1 ALA 69 HB1 ALA 69 26.479 -13.029 -22.485 507 HB2 ALA 69 HB2 ALA 69 26.020 -11.379 -22.885 508 HB3 ALA 69 HB3 ALA 69 27.721 -11.817 -22.766 509 H ALA 70 H ALA 70 29.000 -10.442 -21.165 510 HA ALA 70 HA ALA 70 28.535 -8.113 -19.581 511 HB1 ALA 70 HB1 ALA 70 30.425 -8.449 -21.965 512 HB2 ALA 70 HB2 ALA 70 30.540 -7.205 -20.698 513 HB3 ALA 70 HB3 ALA 70 30.785 -8.907 -20.304 514 H GLY 71 H GLY 71 27.785 -6.069 -20.010 515 HA2 GLY 71 HA2 GLY 71 27.339 -4.561 -22.191 516 HA3 GLY 71 HA3 GLY 71 26.143 -5.843 -22.433 517 H ASN 72 H ASN 72 24.901 -3.552 -22.186 518 HA ASN 72 HA ASN 72 24.329 -3.168 -19.301 519 HB2 ASN 72 HB2 ASN 72 23.163 -1.142 -19.858 520 HB3 ASN 72 HB3 ASN 72 24.703 -1.114 -20.709 521 HD21 ASN 72 HD21 ASN 72 24.432 -2.147 -23.132 522 HD22 ASN 72 HD22 ASN 72 22.971 -1.613 -23.949 523 H TYR 73 H TYR 73 22.284 -3.262 -18.405 524 HA TYR 73 HA TYR 73 20.117 -4.506 -20.045 525 HB2 TYR 73 HB2 TYR 73 21.068 -5.230 -17.210 526 HB3 TYR 73 HB3 TYR 73 19.589 -5.808 -17.963 527 HD1 TYR 73 HD1 TYR 73 23.329 -6.041 -18.344 528 HD2 TYR 73 HD2 TYR 73 19.482 -7.608 -19.515 529 HE1 TYR 73 HE1 TYR 73 24.401 -7.959 -19.528 530 HE2 TYR 73 HE2 TYR 73 20.580 -9.578 -20.566 531 HH TYR 73 HH TYR 73 22.520 -10.542 -21.161 532 H LYS 74 H LYS 74 18.051 -4.097 -19.389 533 HA LYS 74 HA LYS 74 17.687 -1.845 -17.469 534 HB2 LYS 74 HB2 LYS 74 17.546 -1.092 -19.864 535 HB3 LYS 74 HB3 LYS 74 16.229 -2.257 -20.101 536 HG2 LYS 74 HG2 LYS 74 15.260 -0.069 -19.862 537 HG3 LYS 74 HG3 LYS 74 14.913 -0.971 -18.382 538 HD2 LYS 74 HD2 LYS 74 16.685 0.239 -17.210 539 HD3 LYS 74 HD3 LYS 74 17.136 1.087 -18.684 540 HE2 LYS 74 HE2 LYS 74 14.937 2.132 -18.749 541 HE3 LYS 74 HE3 LYS 74 14.469 1.265 -17.275 542 HZ1 LYS 74 HZ1 LYS 74 16.688 3.248 -17.486 543 HZ2 LYS 74 HZ2 LYS 74 16.116 2.541 -16.087 544 HZ3 LYS 74 HZ3 LYS 74 15.153 3.591 -16.924 545 H VAL 75 H VAL 75 16.068 -2.334 -15.977 546 HA VAL 75 HA VAL 75 14.424 -4.785 -16.459 547 HB VAL 75 HB VAL 75 15.411 -3.678 -13.818 548 HG11 VAL 75 HG11 VAL 75 14.402 -5.794 -12.878 549 HG12 VAL 75 HG12 VAL 75 13.222 -4.616 -13.523 550 HG13 VAL 75 HG13 VAL 75 13.651 -6.072 -14.495 551 HG21 VAL 75 HG21 VAL 75 16.143 -6.274 -15.261 552 HG22 VAL 75 HG22 VAL 75 17.194 -4.813 -15.114 553 HG23 VAL 75 HG23 VAL 75 16.735 -5.755 -13.669 554 H VAL 76 H VAL 76 12.282 -4.397 -16.538 555 HA VAL 76 HA VAL 76 11.262 -1.862 -15.281 556 HB VAL 76 HB VAL 76 10.233 -3.245 -17.794 557 HG11 VAL 76 HG11 VAL 76 9.229 -0.748 -16.305 558 HG12 VAL 76 HG12 VAL 76 8.636 -1.299 -17.873 559 HG13 VAL 76 HG13 VAL 76 8.413 -2.310 -16.425 560 HG21 VAL 76 HG21 VAL 76 10.945 -1.251 -18.992 561 HG22 VAL 76 HG22 VAL 76 11.479 -0.441 -17.484 562 HG23 VAL 76 HG23 VAL 76 12.343 -1.886 -18.112 563 H TRP 77 H TRP 77 9.606 -2.331 -13.709 564 HA TRP 77 HA TRP 77 8.510 -5.057 -13.852 565 HB2 TRP 77 HB2 TRP 77 8.945 -5.368 -11.414 566 HB3 TRP 77 HB3 TRP 77 10.403 -5.306 -12.383 567 HD1 TRP 77 HD1 TRP 77 12.077 -3.306 -11.948 568 HE1 TRP 77 HE1 TRP 77 12.344 -1.433 -10.244 569 HE3 TRP 77 HE3 TRP 77 7.566 -3.823 -9.724 570 HZ2 TRP 77 HZ2 TRP 77 10.649 -0.162 -8.330 571 HZ3 TRP 77 HZ3 TRP 77 6.936 -2.220 -7.858 572 HH2 TRP 77 HH2 TRP 77 8.421 -0.342 -7.297 573 H ASN 78 H ASN 78 6.600 -5.489 -12.913 574 HA ASN 78 HA ASN 78 5.032 -3.177 -11.873 575 HB2 ASN 78 HB2 ASN 78 4.068 -5.547 -13.523 576 HB3 ASN 78 HB3 ASN 78 3.039 -4.356 -12.702 577 HD21 ASN 78 HD21 ASN 78 2.173 -3.003 -14.026 578 HD22 ASN 78 HD22 ASN 78 2.942 -2.294 -15.429 579 H ALA 79 H ALA 79 4.514 -3.584 -9.701 580 HA ALA 79 HA ALA 79 4.507 -6.428 -8.832 581 HB1 ALA 79 HB1 ALA 79 6.559 -5.358 -8.107 582 HB2 ALA 79 HB2 ALA 79 5.579 -4.139 -7.244 583 HB3 ALA 79 HB3 ALA 79 5.507 -5.848 -6.782 584 H VAL 80 H VAL 80 2.874 -7.042 -7.355 585 HA VAL 80 HA VAL 80 0.988 -4.837 -6.647 586 HB VAL 80 HB VAL 80 0.260 -7.766 -7.217 587 HG11 VAL 80 HG11 VAL 80 -1.504 -5.391 -6.535 588 HG12 VAL 80 HG12 VAL 80 -2.033 -7.010 -7.020 589 HG13 VAL 80 HG13 VAL 80 -1.144 -6.777 -5.465 590 HG21 VAL 80 HG21 VAL 80 -0.097 -5.153 -8.807 591 HG22 VAL 80 HG22 VAL 80 0.727 -6.639 -9.345 592 HG23 VAL 80 HG23 VAL 80 -1.046 -6.642 -9.152 593 H SER 81 H SER 81 0.643 -4.566 -4.599 594 HA SER 81 HA SER 81 2.258 -5.919 -2.655 595 HB2 SER 81 HB2 SER 81 -0.014 -3.952 -2.299 596 HB3 SER 81 HB3 SER 81 1.186 -4.381 -1.063 597 HG SER 81 HG SER 81 1.592 -3.058 -3.515 598 H VAL 82 H VAL 82 1.407 -6.991 -0.667 599 HA VAL 82 HA VAL 82 -0.721 -8.868 -1.400 600 HB VAL 82 HB VAL 82 -0.545 -9.740 0.899 601 HG11 VAL 82 HG11 VAL 82 1.045 -10.622 -0.664 602 HG12 VAL 82 HG12 VAL 82 2.159 -9.262 -0.407 603 HG13 VAL 82 HG13 VAL 82 1.816 -10.419 0.871 604 HG21 VAL 82 HG21 VAL 82 -0.142 -7.626 2.092 605 HG22 VAL 82 HG22 VAL 82 1.156 -8.754 2.437 606 HG23 VAL 82 HG23 VAL 82 1.430 -7.436 1.307 607 H ASP 83 H ASP 83 -0.715 -5.646 -0.161 608 HA ASP 83 HA ASP 83 -3.490 -6.051 0.831 609 HB2 ASP 83 HB2 ASP 83 -1.765 -4.510 1.958 610 HB3 ASP 83 HB3 ASP 83 -2.015 -3.401 0.594 611 H THR 84 H THR 84 -2.571 -6.389 -2.013 612 HA THR 84 HA THR 84 -3.148 -6.095 -4.112 613 HB THR 84 HB THR 84 -5.432 -5.403 -4.744 614 HG1 THR 84 HG1 THR 84 -5.337 -4.260 -2.132 615 HG21 THR 84 HG21 THR 84 -5.464 -6.956 -2.106 616 HG22 THR 84 HG22 THR 84 -5.102 -7.652 -3.727 617 HG23 THR 84 HG23 THR 84 -6.706 -6.954 -3.371 618 H HIS 85 H HIS 85 -2.185 -3.291 -2.552 619 HA HIS 85 HA HIS 85 -2.839 -1.249 -4.523 620 HB2 HIS 85 HB2 HIS 85 -1.949 -0.749 -2.229 621 HB3 HIS 85 HB3 HIS 85 -0.360 -1.501 -2.704 622 HD1 HIS 85 HD1 HIS 85 -2.439 1.627 -3.450 623 HD2 HIS 85 HD2 HIS 85 1.365 0.043 -4.103 624 HE1 HIS 85 HE1 HIS 85 -0.997 3.485 -4.360 625 H LYS 86 H LYS 86 -1.813 -0.758 -6.444 626 HA LYS 86 HA LYS 86 0.178 -2.690 -7.440 627 HB2 LYS 86 HB2 LYS 86 -1.457 -0.588 -8.825 628 HB3 LYS 86 HB3 LYS 86 -0.362 -1.714 -9.609 629 HG2 LYS 86 HG2 LYS 86 -1.724 -3.602 -8.720 630 HG3 LYS 86 HG3 LYS 86 -2.852 -2.446 -8.018 631 HD2 LYS 86 HD2 LYS 86 -3.324 -1.510 -10.262 632 HD3 LYS 86 HD3 LYS 86 -2.238 -2.729 -10.975 633 HE2 LYS 86 HE2 LYS 86 -3.673 -4.554 -9.981 634 HE3 LYS 86 HE3 LYS 86 -4.776 -3.282 -9.353 635 HZ1 LYS 86 HZ1 LYS 86 -5.024 -2.534 -11.740 636 HZ2 LYS 86 HZ2 LYS 86 -5.710 -3.999 -11.365 637 HZ3 LYS 86 HZ3 LYS 86 -4.295 -3.957 -12.188 638 H SER 87 H SER 87 2.223 -2.093 -8.332 639 HA SER 87 HA SER 87 2.945 0.787 -8.096 640 HB2 SER 87 HB2 SER 87 3.441 -0.209 -5.867 641 HB3 SER 87 HB3 SER 87 4.356 -1.515 -6.632 642 HG SER 87 HG SER 87 5.728 0.172 -5.862 643 H ASN 88 H ASN 88 4.825 1.310 -9.398 644 HA ASN 88 HA ASN 88 5.916 -0.961 -10.976 645 HB2 ASN 88 HB2 ASN 88 5.736 0.147 -13.084 646 HB3 ASN 88 HB3 ASN 88 4.132 -0.019 -12.372 647 HD21 ASN 88 HD21 ASN 88 3.525 2.048 -10.982 648 HD22 ASN 88 HD22 ASN 88 3.919 3.578 -11.726 649 H GLY 89 H GLY 89 7.950 -0.426 -12.139 650 HA2 GLY 89 HA2 GLY 89 9.195 2.114 -11.827 651 HA3 GLY 89 HA3 GLY 89 9.749 1.055 -10.550 652 H GLU 90 H GLU 90 11.740 1.861 -12.100 653 HA GLU 90 HA GLU 90 12.429 -0.544 -13.650 654 HB2 GLU 90 HB2 GLU 90 12.941 0.630 -15.707 655 HB3 GLU 90 HB3 GLU 90 11.266 0.957 -15.286 656 HG2 GLU 90 HG2 GLU 90 11.892 3.223 -14.476 657 HG3 GLU 90 HG3 GLU 90 13.570 2.855 -14.979 658 H TYR 91 H TYR 91 14.756 -0.665 -14.098 659 HA TYR 91 HA TYR 91 16.449 1.506 -13.115 660 HB2 TYR 91 HB2 TYR 91 17.681 0.160 -11.499 661 HB3 TYR 91 HB3 TYR 91 16.023 0.348 -11.012 662 HD1 TYR 91 HD1 TYR 91 14.514 -1.592 -10.949 663 HD2 TYR 91 HD2 TYR 91 18.587 -2.024 -12.115 664 HE1 TYR 91 HE1 TYR 91 14.404 -4.090 -10.463 665 HE2 TYR 91 HE2 TYR 91 18.473 -4.481 -11.637 666 HH TYR 91 HH TYR 91 15.567 -6.065 -10.376 667 H SER 92 H SER 92 18.845 0.948 -13.549 668 HA SER 92 HA SER 92 19.123 -1.165 -15.622 669 HB2 SER 92 HB2 SER 92 20.356 0.392 -17.085 670 HB3 SER 92 HB3 SER 92 18.746 1.046 -16.770 671 HG SER 92 HG SER 92 20.243 2.658 -16.523 672 H PHE 93 H PHE 93 21.311 -1.880 -16.004 673 HA PHE 93 HA PHE 93 23.427 -1.025 -14.207 674 HB2 PHE 93 HB2 PHE 93 23.680 -3.111 -12.973 675 HB3 PHE 93 HB3 PHE 93 22.056 -2.510 -12.718 676 HD1 PHE 93 HD1 PHE 93 20.116 -3.701 -13.457 677 HD2 PHE 93 HD2 PHE 93 24.055 -5.146 -14.456 678 HE1 PHE 93 HE1 PHE 93 19.161 -5.925 -14.202 679 HE2 PHE 93 HE2 PHE 93 23.106 -7.290 -15.224 680 HZ PHE 93 HZ PHE 93 20.690 -7.686 -15.084 681 H LYS 94 H LYS 94 25.446 -2.474 -14.578 682 HA LYS 94 HA LYS 94 25.427 -3.508 -17.387 683 HB2 LYS 94 HB2 LYS 94 26.365 -1.212 -17.216 684 HB3 LYS 94 HB3 LYS 94 27.583 -1.846 -16.080 685 HG2 LYS 94 HG2 LYS 94 28.555 -3.218 -17.893 686 HG3 LYS 94 HG3 LYS 94 27.272 -2.653 -19.022 687 HD2 LYS 94 HD2 LYS 94 27.991 -0.285 -18.656 688 HD3 LYS 94 HD3 LYS 94 29.343 -0.881 -17.629 689 HE2 LYS 94 HE2 LYS 94 30.267 -2.162 -19.592 690 HE3 LYS 94 HE3 LYS 94 28.904 -1.601 -20.609 691 HZ1 LYS 94 HZ1 LYS 94 30.927 -0.291 -20.921 692 HZ2 LYS 94 HZ2 LYS 94 30.865 0.199 -19.336 693 HZ3 LYS 94 HZ3 LYS 94 29.642 0.640 -20.379 694 H VAL 95 H VAL 95 26.478 -5.479 -17.686 695 HA VAL 95 HA VAL 95 27.354 -6.785 -15.151 696 HB VAL 95 HB VAL 95 27.143 -7.950 -17.981 697 HG11 VAL 95 HG11 VAL 95 27.212 -10.158 -16.835 698 HG12 VAL 95 HG12 VAL 95 28.729 -9.262 -16.601 699 HG13 VAL 95 HG13 VAL 95 27.540 -9.332 -15.283 700 HG21 VAL 95 HG21 VAL 95 25.323 -8.108 -15.525 701 HG22 VAL 95 HG22 VAL 95 24.973 -7.185 -17.064 702 HG23 VAL 95 HG23 VAL 95 25.089 -8.983 -17.099 703 H GLY 96 H GLY 96 29.329 -7.211 -14.483 704 HA2 GLY 96 HA2 GLY 96 31.543 -7.841 -16.059 705 HA3 GLY 96 HA3 GLY 96 31.651 -6.072 -15.679 706 H GLN 97 H GLN 97 32.793 -8.941 -14.495 707 HA GLN 97 HA GLN 97 31.978 -8.889 -11.740 708 HB2 GLN 97 HB2 GLN 97 33.167 -10.835 -12.922 709 HB3 GLN 97 HB3 GLN 97 34.656 -9.867 -12.827 710 HG2 GLN 97 HG2 GLN 97 34.397 -9.907 -10.336 711 HG3 GLN 97 HG3 GLN 97 32.910 -10.854 -10.484 712 HE21 GLN 97 HE21 GLN 97 35.955 -11.060 -9.620 713 HE22 GLN 97 HE22 GLN 97 36.379 -12.633 -10.136 Start of MODEL 13 1 H1 HIS 1 H1 HIS 1 1.007 2.431 -1.242 2 H2 HIS 1 H2 HIS 1 1.840 1.425 -0.222 3 H3 HIS 1 H3 HIS 1 2.610 2.715 -0.905 4 HA HIS 1 HA HIS 1 1.614 0.328 -2.334 5 HB2 HIS 1 HB2 HIS 1 3.042 2.850 -3.297 6 HB3 HIS 1 HB3 HIS 1 2.835 1.404 -4.291 7 HD1 HIS 1 HD1 HIS 1 0.889 4.351 -2.757 8 HD2 HIS 1 HD2 HIS 1 0.311 1.147 -5.409 9 HE1 HIS 1 HE1 HIS 1 -1.298 4.701 -3.893 10 H ALA 2 H ALA 2 3.365 -1.045 -3.097 11 HA ALA 2 HA ALA 2 5.417 -1.261 -1.091 12 HB1 ALA 2 HB1 ALA 2 6.099 -3.261 -2.297 13 HB2 ALA 2 HB2 ALA 2 4.326 -3.183 -2.328 14 HB3 ALA 2 HB3 ALA 2 5.237 -2.724 -3.770 15 H HIS 3 H HIS 3 7.572 -0.733 -1.147 16 HA HIS 3 HA HIS 3 8.737 0.401 -3.648 17 HB2 HIS 3 HB2 HIS 3 8.985 1.575 -0.854 18 HB3 HIS 3 HB3 HIS 3 9.858 2.131 -2.323 19 HD1 HIS 3 HD1 HIS 3 8.022 2.765 -4.404 20 HD2 HIS 3 HD2 HIS 3 6.763 3.027 -0.432 21 HE1 HIS 3 HE1 HIS 3 5.929 4.183 -4.343 22 H LEU 4 H LEU 4 10.980 0.123 -3.882 23 HA LEU 4 HA LEU 4 12.013 -2.362 -2.890 24 HB2 LEU 4 HB2 LEU 4 12.474 -1.337 -5.132 25 HB3 LEU 4 HB3 LEU 4 13.332 -0.082 -4.339 26 HG LEU 4 HG LEU 4 15.034 -1.777 -3.645 27 HD11 LEU 4 HD11 LEU 4 13.525 -3.795 -3.794 28 HD12 LEU 4 HD12 LEU 4 15.010 -3.941 -4.723 29 HD13 LEU 4 HD13 LEU 4 13.518 -3.568 -5.578 30 HD21 LEU 4 HD21 LEU 4 15.255 -0.375 -5.668 31 HD22 LEU 4 HD22 LEU 4 14.452 -1.614 -6.610 32 HD23 LEU 4 HD23 LEU 4 16.018 -1.944 -5.852 33 H LYS 5 H LYS 5 13.387 -2.708 -1.094 34 HA LYS 5 HA LYS 5 14.544 -0.279 0.229 35 HB2 LYS 5 HB2 LYS 5 14.059 -2.993 1.430 36 HB3 LYS 5 HB3 LYS 5 14.817 -1.638 2.254 37 HG2 LYS 5 HG2 LYS 5 12.677 -0.342 1.975 38 HG3 LYS 5 HG3 LYS 5 12.002 -1.762 1.187 39 HD2 LYS 5 HD2 LYS 5 11.245 -1.889 3.474 40 HD3 LYS 5 HD3 LYS 5 12.448 -3.129 3.223 41 HE2 LYS 5 HE2 LYS 5 12.851 -2.075 5.341 42 HE3 LYS 5 HE3 LYS 5 14.155 -1.570 4.261 43 HZ1 LYS 5 HZ1 LYS 5 12.838 0.493 3.893 44 HZ2 LYS 5 HZ2 LYS 5 13.335 0.331 5.434 45 HZ3 LYS 5 HZ3 LYS 5 11.776 0.012 5.031 46 H SER 6 H SER 6 15.368 -3.387 -1.186 47 HA SER 6 HA SER 6 18.213 -2.768 -1.027 48 HB2 SER 6 HB2 SER 6 17.826 -3.836 1.151 49 HB3 SER 6 HB3 SER 6 17.033 -5.222 0.370 50 HG SER 6 HG SER 6 19.627 -4.799 0.828 51 H ALA 7 H ALA 7 19.397 -4.303 -2.514 52 HA ALA 7 HA ALA 7 17.741 -6.057 -4.108 53 HB1 ALA 7 HB1 ALA 7 18.062 -4.732 -6.259 54 HB2 ALA 7 HB2 ALA 7 17.195 -3.792 -5.040 55 HB3 ALA 7 HB3 ALA 7 18.904 -3.470 -5.315 56 H THR 8 H THR 8 18.692 -6.965 -5.892 57 HA THR 8 HA THR 8 21.488 -7.793 -5.659 58 HB THR 8 HB THR 8 19.247 -8.620 -7.558 59 HG1 THR 8 HG1 THR 8 18.871 -8.905 -5.258 60 HG21 THR 8 HG21 THR 8 21.784 -10.003 -6.769 61 HG22 THR 8 HG22 THR 8 21.280 -9.476 -8.418 62 HG23 THR 8 HG23 THR 8 20.419 -10.774 -7.578 63 HA PRO 9 HA PRO 9 23.574 -5.113 -8.669 64 HB2 PRO 9 HB2 PRO 9 22.002 -6.185 -10.970 65 HB3 PRO 9 HB3 PRO 9 23.735 -5.846 -10.702 66 HG2 PRO 9 HG2 PRO 9 22.225 -8.369 -9.912 67 HG3 PRO 9 HG3 PRO 9 23.972 -8.195 -10.101 68 HD2 PRO 9 HD2 PRO 9 22.943 -8.407 -7.638 69 HD3 PRO 9 HD3 PRO 9 24.168 -7.136 -7.910 70 H ALA 10 H ALA 10 22.771 -3.518 -7.533 71 HA ALA 10 HA ALA 10 20.436 -2.077 -8.034 72 HB1 ALA 10 HB1 ALA 10 23.083 -1.307 -6.727 73 HB2 ALA 10 HB2 ALA 10 21.604 -0.376 -6.683 74 HB3 ALA 10 HB3 ALA 10 21.638 -1.937 -5.912 75 H ALA 11 H ALA 11 20.521 0.245 -8.710 76 HA ALA 11 HA ALA 11 21.291 0.389 -11.383 77 HB1 ALA 11 HB1 ALA 11 19.569 1.796 -10.546 78 HB2 ALA 11 HB2 ALA 11 20.646 2.501 -9.351 79 HB3 ALA 11 HB3 ALA 11 20.865 2.863 -11.078 80 H ASP 12 H ASP 12 22.821 1.216 -12.549 81 HA ASP 12 HA ASP 12 24.878 1.798 -13.260 82 HB2 ASP 12 HB2 ASP 12 25.193 3.249 -10.597 83 HB3 ASP 12 HB3 ASP 12 26.240 3.447 -12.025 84 H SER 13 H SER 13 24.554 -0.538 -11.106 85 HA SER 13 HA SER 13 27.298 -0.707 -10.101 86 HB2 SER 13 HB2 SER 13 25.136 -2.837 -10.156 87 HB3 SER 13 HB3 SER 13 26.661 -2.935 -9.302 88 HG SER 13 HG SER 13 24.500 -1.188 -8.840 89 H THR 14 H THR 14 28.931 -2.229 -10.776 90 HA THR 14 HA THR 14 28.392 -3.499 -13.395 91 HB THR 14 HB THR 14 31.138 -2.759 -12.312 92 HG1 THR 14 HG1 THR 14 30.477 -0.895 -13.033 93 HG21 THR 14 HG21 THR 14 31.882 -3.333 -14.583 94 HG22 THR 14 HG22 THR 14 30.238 -3.878 -14.971 95 HG23 THR 14 HG23 THR 14 31.193 -4.745 -13.721 96 H VAL 15 H VAL 15 27.943 -5.608 -13.098 97 HA VAL 15 HA VAL 15 29.171 -6.950 -10.736 98 HB VAL 15 HB VAL 15 26.998 -8.089 -10.455 99 HG11 VAL 15 HG11 VAL 15 26.638 -5.032 -10.609 100 HG12 VAL 15 HG12 VAL 15 25.771 -6.164 -9.544 101 HG13 VAL 15 HG13 VAL 15 27.504 -5.897 -9.295 102 HG21 VAL 15 HG21 VAL 15 25.026 -7.394 -11.783 103 HG22 VAL 15 HG22 VAL 15 26.038 -6.310 -12.776 104 HG23 VAL 15 HG23 VAL 15 26.222 -8.082 -12.835 105 H ALA 16 H ALA 16 29.021 -9.298 -10.689 106 HA ALA 16 HA ALA 16 29.759 -10.570 -13.180 107 HB1 ALA 16 HB1 ALA 16 29.702 -12.589 -11.792 108 HB2 ALA 16 HB2 ALA 16 30.579 -11.332 -10.922 109 HB3 ALA 16 HB3 ALA 16 28.877 -11.704 -10.494 110 H ALA 17 H ALA 17 28.315 -12.120 -14.322 111 HA ALA 17 HA ALA 17 25.607 -11.198 -14.373 112 HB1 ALA 17 HB1 ALA 17 26.827 -13.783 -15.424 113 HB2 ALA 17 HB2 ALA 17 25.118 -13.315 -15.668 114 HB3 ALA 17 HB3 ALA 17 26.422 -12.311 -16.352 115 HA PRO 18 HA PRO 18 24.513 -13.332 -10.648 116 HB2 PRO 18 HB2 PRO 18 21.908 -12.643 -10.426 117 HB3 PRO 18 HB3 PRO 18 23.207 -11.448 -10.182 118 HG2 PRO 18 HG2 PRO 18 21.582 -12.027 -12.621 119 HG3 PRO 18 HG3 PRO 18 21.885 -10.439 -11.850 120 HD2 PRO 18 HD2 PRO 18 23.296 -11.280 -13.966 121 HD3 PRO 18 HD3 PRO 18 24.065 -10.332 -12.662 122 H ALA 19 H ALA 19 23.413 -15.310 -9.941 123 HA ALA 19 HA ALA 19 22.579 -17.029 -12.141 124 HB1 ALA 19 HB1 ALA 19 22.594 -17.319 -9.084 125 HB2 ALA 19 HB2 ALA 19 21.872 -18.544 -10.115 126 HB3 ALA 19 HB3 ALA 19 23.601 -18.164 -10.267 127 H ASP 20 H ASP 20 21.112 -15.007 -9.597 128 HA ASP 20 HA ASP 20 18.525 -14.977 -11.048 129 HB2 ASP 20 HB2 ASP 20 17.227 -15.642 -9.079 130 HB3 ASP 20 HB3 ASP 20 18.350 -16.921 -9.532 131 H LEU 21 H LEU 21 17.103 -13.209 -10.184 132 HA LEU 21 HA LEU 21 18.798 -11.095 -8.866 133 HB2 LEU 21 HB2 LEU 21 16.363 -10.727 -10.638 134 HB3 LEU 21 HB3 LEU 21 17.280 -9.445 -9.801 135 HG LEU 21 HG LEU 21 19.239 -9.860 -11.244 136 HD11 LEU 21 HD11 LEU 21 18.984 -12.153 -12.039 137 HD12 LEU 21 HD12 LEU 21 18.792 -11.088 -13.427 138 HD13 LEU 21 HD13 LEU 21 17.359 -11.822 -12.703 139 HD21 LEU 21 HD21 LEU 21 16.625 -9.268 -12.655 140 HD22 LEU 21 HD22 LEU 21 18.241 -8.880 -13.300 141 HD23 LEU 21 HD23 LEU 21 17.669 -8.097 -11.784 142 H ARG 22 H ARG 22 18.174 -10.408 -6.880 143 HA ARG 22 HA ARG 22 15.514 -11.366 -5.860 144 HB2 ARG 22 HB2 ARG 22 18.171 -11.040 -4.403 145 HB3 ARG 22 HB3 ARG 22 16.656 -11.526 -3.638 146 HG2 ARG 22 HG2 ARG 22 16.617 -13.572 -5.021 147 HG3 ARG 22 HG3 ARG 22 18.034 -13.067 -5.918 148 HD2 ARG 22 HD2 ARG 22 18.069 -13.588 -2.942 149 HD3 ARG 22 HD3 ARG 22 18.518 -14.788 -4.171 150 HE ARG 22 HE ARG 22 20.019 -12.435 -4.693 151 HH11 ARG 22 HH11 ARG 22 19.846 -14.986 -2.250 152 HH12 ARG 22 HH12 ARG 22 21.558 -14.868 -1.955 153 HH21 ARG 22 HH21 ARG 22 22.198 -12.423 -4.232 154 HH22 ARG 22 HH22 ARG 22 22.887 -13.547 -3.091 155 H LEU 23 H LEU 23 14.136 -9.675 -5.617 156 HA LEU 23 HA LEU 23 15.316 -7.022 -4.865 157 HB2 LEU 23 HB2 LEU 23 12.628 -7.665 -6.152 158 HB3 LEU 23 HB3 LEU 23 13.143 -6.066 -5.686 159 HG LEU 23 HG LEU 23 14.936 -6.143 -7.416 160 HD11 LEU 23 HD11 LEU 23 14.661 -7.790 -9.280 161 HD12 LEU 23 HD12 LEU 23 13.616 -8.782 -8.181 162 HD13 LEU 23 HD13 LEU 23 15.383 -8.484 -7.815 163 HD21 LEU 23 HD21 LEU 23 12.081 -6.646 -8.381 164 HD22 LEU 23 HD22 LEU 23 13.405 -5.780 -9.277 165 HD23 LEU 23 HD23 LEU 23 12.763 -5.101 -7.777 166 H THR 24 H THR 24 14.650 -6.034 -2.922 167 HA THR 24 HA THR 24 12.736 -7.639 -1.293 168 HB THR 24 HB THR 24 15.021 -5.979 -0.251 169 HG1 THR 24 HG1 THR 24 15.624 -8.357 0.324 170 HG21 THR 24 HG21 THR 24 14.578 -7.195 1.822 171 HG22 THR 24 HG22 THR 24 13.166 -7.926 1.071 172 HG23 THR 24 HG23 THR 24 13.232 -6.172 1.364 173 H PHE 25 H PHE 25 10.923 -6.619 -0.684 174 HA PHE 25 HA PHE 25 10.845 -3.637 -1.011 175 HB2 PHE 25 HB2 PHE 25 8.588 -5.697 -1.339 176 HB3 PHE 25 HB3 PHE 25 8.462 -3.958 -1.609 177 HD1 PHE 25 HD1 PHE 25 9.442 -2.889 -3.568 178 HD2 PHE 25 HD2 PHE 25 9.665 -7.141 -2.941 179 HE1 PHE 25 HE1 PHE 25 10.027 -3.175 -5.964 180 HE2 PHE 25 HE2 PHE 25 10.296 -7.451 -5.351 181 HZ PHE 25 HZ PHE 25 10.420 -5.444 -6.895 182 H SER 26 H SER 26 9.360 -2.408 0.237 183 HA SER 26 HA SER 26 9.452 -2.951 3.056 184 HB2 SER 26 HB2 SER 26 7.773 -0.947 1.511 185 HB3 SER 26 HB3 SER 26 8.170 -0.916 3.282 186 HG SER 26 HG SER 26 9.530 0.448 2.033 187 H GLU 27 H GLU 27 7.071 -3.858 0.700 188 HA GLU 27 HA GLU 27 5.218 -4.714 2.872 189 HB2 GLU 27 HB2 GLU 27 4.411 -2.568 1.783 190 HB3 GLU 27 HB3 GLU 27 4.451 -3.415 0.228 191 HG2 GLU 27 HG2 GLU 27 2.206 -3.405 0.903 192 HG3 GLU 27 HG3 GLU 27 2.768 -5.058 1.244 193 H GLY 28 H GLY 28 4.292 -6.782 2.357 194 HA2 GLY 28 HA2 GLY 28 5.847 -8.312 0.531 195 HA3 GLY 28 HA3 GLY 28 4.375 -8.858 1.370 196 H VAL 29 H VAL 29 5.164 -9.407 -1.455 197 HA VAL 29 HA VAL 29 2.940 -7.909 -2.791 198 HB VAL 29 HB VAL 29 4.227 -8.106 -4.900 199 HG11 VAL 29 HG11 VAL 29 4.361 -6.048 -3.660 200 HG12 VAL 29 HG12 VAL 29 5.678 -6.652 -2.633 201 HG13 VAL 29 HG13 VAL 29 5.994 -6.345 -4.362 202 HG21 VAL 29 HG21 VAL 29 6.455 -9.202 -3.145 203 HG22 VAL 29 HG22 VAL 29 5.567 -10.099 -4.452 204 HG23 VAL 29 HG23 VAL 29 6.623 -8.716 -4.853 205 H GLU 30 H GLU 30 1.884 -9.017 -4.512 206 HA GLU 30 HA GLU 30 1.426 -11.882 -3.915 207 HB2 GLU 30 HB2 GLU 30 0.088 -9.930 -5.869 208 HB3 GLU 30 HB3 GLU 30 -0.390 -11.619 -5.593 209 HG2 GLU 30 HG2 GLU 30 -0.424 -9.547 -3.360 210 HG3 GLU 30 HG3 GLU 30 -1.804 -9.828 -4.467 211 H ALA 31 H ALA 31 3.180 -12.989 -4.752 212 HA ALA 31 HA ALA 31 4.688 -12.320 -7.030 213 HB1 ALA 31 HB1 ALA 31 5.559 -14.527 -6.944 214 HB2 ALA 31 HB2 ALA 31 5.353 -13.881 -5.291 215 HB3 ALA 31 HB3 ALA 31 4.200 -15.075 -5.947 216 H THR 32 H THR 32 1.751 -14.128 -6.755 217 HA THR 32 HA THR 32 1.574 -15.364 -9.294 218 HB THR 32 HB THR 32 -0.644 -14.158 -7.593 219 HG1 THR 32 HG1 THR 32 0.980 -16.439 -7.386 220 HG21 THR 32 HG21 THR 32 -1.996 -16.047 -8.485 221 HG22 THR 32 HG22 THR 32 -0.653 -16.492 -9.537 222 HG23 THR 32 HG23 THR 32 -1.496 -14.956 -9.753 223 H PHE 33 H PHE 33 0.836 -11.963 -8.432 224 HA PHE 33 HA PHE 33 0.048 -11.529 -11.263 225 HB2 PHE 33 HB2 PHE 33 -0.458 -9.770 -8.869 226 HB3 PHE 33 HB3 PHE 33 -1.091 -9.518 -10.509 227 HD1 PHE 33 HD1 PHE 33 -1.703 -10.935 -7.272 228 HD2 PHE 33 HD2 PHE 33 -2.571 -11.487 -11.455 229 HE1 PHE 33 HE1 PHE 33 -3.633 -12.392 -6.697 230 HE2 PHE 33 HE2 PHE 33 -4.415 -13.014 -10.887 231 HZ PHE 33 HZ PHE 33 -4.994 -13.476 -8.501 232 H THR 34 H THR 34 2.751 -11.231 -9.412 233 HA THR 34 HA THR 34 3.633 -8.560 -10.191 234 HB THR 34 HB THR 34 5.260 -10.969 -9.191 235 HG1 THR 34 HG1 THR 34 3.542 -10.121 -7.744 236 HG21 THR 34 HG21 THR 34 6.732 -9.303 -10.125 237 HG22 THR 34 HG22 THR 34 6.866 -9.292 -8.377 238 HG23 THR 34 HG23 THR 34 5.940 -8.039 -9.193 239 H LYS 35 H LYS 35 4.998 -8.022 -11.983 240 HA LYS 35 HA LYS 35 5.901 -10.227 -13.763 241 HB2 LYS 35 HB2 LYS 35 3.763 -9.342 -14.650 242 HB3 LYS 35 HB3 LYS 35 4.509 -7.754 -14.747 243 HG2 LYS 35 HG2 LYS 35 6.145 -8.617 -16.352 244 HG3 LYS 35 HG3 LYS 35 5.365 -10.223 -16.295 245 HD2 LYS 35 HD2 LYS 35 3.248 -9.147 -17.125 246 HD3 LYS 35 HD3 LYS 35 4.088 -7.608 -17.197 247 HE2 LYS 35 HE2 LYS 35 4.131 -8.568 -19.430 248 HE3 LYS 35 HE3 LYS 35 5.762 -8.666 -18.813 249 HZ1 LYS 35 HZ1 LYS 35 5.301 -10.955 -18.136 250 HZ2 LYS 35 HZ2 LYS 35 5.166 -10.776 -19.751 251 HZ3 LYS 35 HZ3 LYS 35 3.805 -10.901 -18.812 252 H VAL 36 H VAL 36 8.015 -10.017 -14.469 253 HA VAL 36 HA VAL 36 9.254 -7.324 -14.241 254 HB VAL 36 HB VAL 36 10.524 -9.989 -13.467 255 HG11 VAL 36 HG11 VAL 36 12.211 -8.473 -14.535 256 HG12 VAL 36 HG12 VAL 36 11.694 -7.129 -13.481 257 HG13 VAL 36 HG13 VAL 36 12.509 -8.550 -12.790 258 HG21 VAL 36 HG21 VAL 36 8.948 -9.110 -11.707 259 HG22 VAL 36 HG22 VAL 36 10.641 -9.070 -11.166 260 HG23 VAL 36 HG23 VAL 36 9.833 -7.556 -11.702 261 H SER 37 H SER 37 10.336 -6.674 -16.020 262 HA SER 37 HA SER 37 10.904 -8.697 -18.106 263 HB2 SER 37 HB2 SER 37 10.037 -5.780 -18.411 264 HB3 SER 37 HB3 SER 37 10.607 -6.828 -19.746 265 HG SER 37 HG SER 37 8.307 -6.795 -19.467 266 H LEU 38 H LEU 38 12.845 -8.574 -19.105 267 HA LEU 38 HA LEU 38 14.874 -6.633 -18.108 268 HB2 LEU 38 HB2 LEU 38 15.007 -8.831 -16.911 269 HB3 LEU 38 HB3 LEU 38 15.110 -9.622 -18.469 270 HG LEU 38 HG LEU 38 17.344 -8.608 -18.862 271 HD11 LEU 38 HD11 LEU 38 18.542 -7.561 -17.082 272 HD12 LEU 38 HD12 LEU 38 17.180 -7.714 -15.969 273 HD13 LEU 38 HD13 LEU 38 17.099 -6.635 -17.370 274 HD21 LEU 38 HD21 LEU 38 18.536 -9.998 -17.206 275 HD22 LEU 38 HD22 LEU 38 17.154 -10.835 -17.876 276 HD23 LEU 38 HD23 LEU 38 17.027 -10.162 -16.260 277 H SER 39 H SER 39 16.140 -5.789 -19.820 278 HA SER 39 HA SER 39 15.794 -7.276 -22.376 279 HB2 SER 39 HB2 SER 39 15.466 -5.196 -23.609 280 HB3 SER 39 HB3 SER 39 14.252 -5.321 -22.337 281 HG SER 39 HG SER 39 15.235 -3.241 -22.382 282 H LYS 40 H LYS 40 17.394 -7.284 -23.817 283 HA LYS 40 HA LYS 40 20.069 -6.328 -22.854 284 HB2 LYS 40 HB2 LYS 40 20.975 -8.047 -24.487 285 HB3 LYS 40 HB3 LYS 40 20.005 -8.703 -23.164 286 HG2 LYS 40 HG2 LYS 40 18.087 -8.945 -24.802 287 HG3 LYS 40 HG3 LYS 40 19.135 -8.333 -26.069 288 HD2 LYS 40 HD2 LYS 40 20.593 -10.291 -25.800 289 HD3 LYS 40 HD3 LYS 40 19.506 -10.896 -24.532 290 HE2 LYS 40 HE2 LYS 40 17.618 -10.885 -26.061 291 HE3 LYS 40 HE3 LYS 40 18.661 -10.301 -27.377 292 HZ1 LYS 40 HZ1 LYS 40 19.875 -12.382 -27.254 293 HZ2 LYS 40 HZ2 LYS 40 18.254 -12.681 -27.459 294 HZ3 LYS 40 HZ3 LYS 40 18.982 -12.912 -25.979 295 H ASP 41 H ASP 41 20.427 -4.357 -23.687 296 HA ASP 41 HA ASP 41 20.725 -2.688 -25.175 297 HB2 ASP 41 HB2 ASP 41 22.104 -4.538 -26.271 298 HB3 ASP 41 HB3 ASP 41 20.718 -4.696 -27.398 299 H GLY 42 H GLY 42 17.968 -3.426 -24.529 300 HA2 GLY 42 HA2 GLY 42 15.967 -2.412 -25.191 301 HA3 GLY 42 HA3 GLY 42 16.645 -2.056 -26.768 302 H THR 43 H THR 43 17.012 -5.437 -25.933 303 HA THR 43 HA THR 43 14.414 -6.094 -27.334 304 HB THR 43 HB THR 43 17.105 -7.600 -27.520 305 HG1 THR 43 HG1 THR 43 17.278 -5.752 -28.732 306 HG21 THR 43 HG21 THR 43 14.564 -7.969 -29.062 307 HG22 THR 43 HG22 THR 43 15.119 -8.986 -27.731 308 HG23 THR 43 HG23 THR 43 16.084 -8.886 -29.227 309 H GLU 44 H GLU 44 13.105 -7.495 -25.985 310 HA GLU 44 HA GLU 44 13.959 -7.961 -23.313 311 HB2 GLU 44 HB2 GLU 44 11.597 -9.178 -24.773 312 HB3 GLU 44 HB3 GLU 44 11.955 -9.258 -23.042 313 HG2 GLU 44 HG2 GLU 44 11.907 -6.783 -22.961 314 HG3 GLU 44 HG3 GLU 44 11.419 -6.711 -24.627 315 H VAL 45 H VAL 45 14.663 -9.525 -22.146 316 HA VAL 45 HA VAL 45 15.880 -11.915 -23.472 317 HB VAL 45 HB VAL 45 16.066 -10.819 -20.574 318 HG11 VAL 45 HG11 VAL 45 17.667 -13.006 -21.959 319 HG12 VAL 45 HG12 VAL 45 18.059 -12.285 -20.358 320 HG13 VAL 45 HG13 VAL 45 16.515 -13.209 -20.576 321 HG21 VAL 45 HG21 VAL 45 18.228 -9.999 -21.160 322 HG22 VAL 45 HG22 VAL 45 18.106 -10.685 -22.793 323 HG23 VAL 45 HG23 VAL 45 17.064 -9.314 -22.286 324 H ALA 46 H ALA 46 15.044 -14.002 -23.045 325 HA ALA 46 HA ALA 46 12.417 -14.128 -21.976 326 HB1 ALA 46 HB1 ALA 46 12.799 -16.654 -22.192 327 HB2 ALA 46 HB2 ALA 46 13.121 -15.694 -23.687 328 HB3 ALA 46 HB3 ALA 46 14.475 -16.241 -22.684 329 H ILE 47 H ILE 47 11.602 -14.938 -20.054 330 HA ILE 47 HA ILE 47 13.547 -15.209 -17.813 331 HB ILE 47 HB ILE 47 10.731 -14.008 -17.771 332 HG12 ILE 47 HG12 ILE 47 12.382 -12.458 -18.826 333 HG13 ILE 47 HG13 ILE 47 11.849 -11.855 -17.265 334 HG21 ILE 47 HG21 ILE 47 12.771 -14.406 -15.538 335 HG22 ILE 47 HG22 ILE 47 11.369 -13.304 -15.408 336 HG23 ILE 47 HG23 ILE 47 11.101 -15.056 -15.633 337 HD11 ILE 47 HD11 ILE 47 14.293 -11.539 -17.650 338 HD12 ILE 47 HD12 ILE 47 13.993 -12.585 -16.246 339 HD13 ILE 47 HD13 ILE 47 14.545 -13.258 -17.801 340 H LYS 48 H LYS 48 13.411 -17.124 -16.650 341 HA LYS 48 HA LYS 48 11.754 -19.219 -17.719 342 HB2 LYS 48 HB2 LYS 48 13.960 -19.545 -16.537 343 HB3 LYS 48 HB3 LYS 48 13.194 -18.997 -15.035 344 HG2 LYS 48 HG2 LYS 48 11.696 -20.970 -15.111 345 HG3 LYS 48 HG3 LYS 48 12.551 -21.561 -16.548 346 HD2 LYS 48 HD2 LYS 48 13.904 -20.955 -13.864 347 HD3 LYS 48 HD3 LYS 48 13.310 -22.560 -14.325 348 HE2 LYS 48 HE2 LYS 48 15.447 -20.985 -15.821 349 HE3 LYS 48 HE3 LYS 48 15.738 -22.332 -14.663 350 HZ1 LYS 48 HZ1 LYS 48 14.801 -23.933 -16.095 351 HZ2 LYS 48 HZ2 LYS 48 15.643 -22.947 -17.150 352 HZ3 LYS 48 HZ3 LYS 48 13.999 -22.802 -17.048 353 H GLY 49 H GLY 49 11.535 -17.074 -14.864 354 HA2 GLY 49 HA2 GLY 49 8.736 -17.027 -14.649 355 HA3 GLY 49 HA3 GLY 49 9.278 -18.377 -13.641 356 H LEU 50 H LEU 50 8.189 -16.743 -12.076 357 HA LEU 50 HA LEU 50 10.431 -15.602 -10.623 358 HB2 LEU 50 HB2 LEU 50 9.552 -13.476 -10.118 359 HB3 LEU 50 HB3 LEU 50 9.663 -13.621 -11.875 360 HG LEU 50 HG LEU 50 7.117 -13.773 -10.260 361 HD11 LEU 50 HD11 LEU 50 6.814 -11.473 -11.149 362 HD12 LEU 50 HD12 LEU 50 8.392 -11.567 -11.933 363 HD13 LEU 50 HD13 LEU 50 8.249 -11.571 -10.182 364 HD21 LEU 50 HD21 LEU 50 6.675 -14.947 -12.283 365 HD22 LEU 50 HD22 LEU 50 7.698 -13.843 -13.238 366 HD23 LEU 50 HD23 LEU 50 6.132 -13.282 -12.588 367 H GLU 51 H GLU 51 10.045 -15.545 -8.373 368 HA GLU 51 HA GLU 51 7.482 -16.565 -7.332 369 HB2 GLU 51 HB2 GLU 51 8.414 -18.644 -6.477 370 HB3 GLU 51 HB3 GLU 51 8.656 -18.570 -8.234 371 HG2 GLU 51 HG2 GLU 51 11.015 -17.795 -7.870 372 HG3 GLU 51 HG3 GLU 51 10.735 -18.002 -6.100 373 H THR 52 H THR 52 7.634 -16.898 -4.924 374 HA THR 52 HA THR 52 9.798 -15.230 -3.675 375 HB THR 52 HB THR 52 8.131 -14.627 -1.894 376 HG1 THR 52 HG1 THR 52 6.703 -16.398 -2.380 377 HG21 THR 52 HG21 THR 52 7.341 -13.807 -4.693 378 HG22 THR 52 HG22 THR 52 8.502 -13.004 -3.587 379 HG23 THR 52 HG23 THR 52 6.774 -13.100 -3.204 380 HA PRO 53 HA PRO 53 9.906 -19.475 -1.882 381 HB2 PRO 53 HB2 PRO 53 12.584 -19.715 -1.506 382 HB3 PRO 53 HB3 PRO 53 11.835 -19.866 -3.128 383 HG2 PRO 53 HG2 PRO 53 13.169 -17.539 -1.770 384 HG3 PRO 53 HG3 PRO 53 13.486 -18.237 -3.404 385 HD2 PRO 53 HD2 PRO 53 11.867 -16.058 -3.026 386 HD3 PRO 53 HD3 PRO 53 11.549 -17.215 -4.367 387 H ASP 54 H ASP 54 11.018 -16.408 -0.717 388 HA ASP 54 HA ASP 54 12.035 -17.109 1.834 389 HB2 ASP 54 HB2 ASP 54 12.394 -15.062 0.419 390 HB3 ASP 54 HB3 ASP 54 10.801 -14.492 0.888 391 H ALA 55 H ALA 55 11.037 -16.973 3.872 392 HA ALA 55 HA ALA 55 8.372 -17.980 4.157 393 HB1 ALA 55 HB1 ALA 55 10.130 -16.474 6.135 394 HB2 ALA 55 HB2 ALA 55 8.672 -17.362 6.544 395 HB3 ALA 55 HB3 ALA 55 10.089 -18.218 5.913 396 H ASP 56 H ASP 56 9.613 -14.676 4.056 397 HA ASP 56 HA ASP 56 6.865 -13.622 4.382 398 HB2 ASP 56 HB2 ASP 56 9.559 -12.253 4.396 399 HB3 ASP 56 HB3 ASP 56 8.039 -11.397 4.566 400 H LYS 57 H LYS 57 5.989 -12.308 2.498 401 HA LYS 57 HA LYS 57 7.408 -13.079 -0.006 402 HB2 LYS 57 HB2 LYS 57 4.670 -11.777 0.463 403 HB3 LYS 57 HB3 LYS 57 5.349 -12.212 -1.117 404 HG2 LYS 57 HG2 LYS 57 5.435 -14.566 -0.463 405 HG3 LYS 57 HG3 LYS 57 4.683 -14.139 1.078 406 HD2 LYS 57 HD2 LYS 57 2.723 -13.252 -0.122 407 HD3 LYS 57 HD3 LYS 57 3.443 -13.697 -1.676 408 HE2 LYS 57 HE2 LYS 57 1.880 -15.401 -1.055 409 HE3 LYS 57 HE3 LYS 57 3.513 -16.062 -0.933 410 HZ1 LYS 57 HZ1 LYS 57 2.311 -16.775 0.912 411 HZ2 LYS 57 HZ2 LYS 57 1.720 -15.266 1.272 412 HZ3 LYS 57 HZ3 LYS 57 3.336 -15.607 1.498 413 H LYS 58 H LYS 58 8.610 -11.310 1.796 414 HA LYS 58 HA LYS 58 8.319 -8.630 0.611 415 HB2 LYS 58 HB2 LYS 58 10.297 -9.597 2.673 416 HB3 LYS 58 HB3 LYS 58 10.129 -7.928 2.100 417 HG2 LYS 58 HG2 LYS 58 7.829 -7.846 2.894 418 HG3 LYS 58 HG3 LYS 58 7.980 -9.517 3.533 419 HD2 LYS 58 HD2 LYS 58 9.870 -8.766 4.945 420 HD3 LYS 58 HD3 LYS 58 9.633 -7.109 4.323 421 HE2 LYS 58 HE2 LYS 58 7.318 -7.132 5.225 422 HE3 LYS 58 HE3 LYS 58 7.555 -8.762 5.863 423 HZ1 LYS 58 HZ1 LYS 58 9.311 -7.941 7.230 424 HZ2 LYS 58 HZ2 LYS 58 7.917 -7.102 7.529 425 HZ3 LYS 58 HZ3 LYS 58 9.127 -6.415 6.639 426 H THR 59 H THR 59 10.186 -11.473 0.189 427 HA THR 59 HA THR 59 12.098 -9.981 -1.505 428 HB THR 59 HB THR 59 12.427 -12.715 -0.310 429 HG1 THR 59 HG1 THR 59 13.143 -11.750 1.413 430 HG21 THR 59 HG21 THR 59 14.859 -12.369 -0.836 431 HG22 THR 59 HG22 THR 59 14.393 -10.912 -1.758 432 HG23 THR 59 HG23 THR 59 13.840 -12.518 -2.265 433 H LEU 60 H LEU 60 11.820 -10.115 -3.625 434 HA LEU 60 HA LEU 60 10.196 -12.336 -4.804 435 HB2 LEU 60 HB2 LEU 60 9.372 -10.008 -4.998 436 HB3 LEU 60 HB3 LEU 60 10.894 -9.568 -5.821 437 HG LEU 60 HG LEU 60 8.933 -9.618 -7.261 438 HD11 LEU 60 HD11 LEU 60 11.308 -10.206 -8.067 439 HD12 LEU 60 HD12 LEU 60 9.908 -10.537 -9.155 440 HD13 LEU 60 HD13 LEU 60 10.681 -11.878 -8.220 441 HD21 LEU 60 HD21 LEU 60 7.778 -11.476 -6.061 442 HD22 LEU 60 HD22 LEU 60 8.882 -12.618 -6.795 443 HD23 LEU 60 HD23 LEU 60 7.809 -11.684 -7.816 444 H VAL 61 H VAL 61 11.164 -13.739 -6.260 445 HA VAL 61 HA VAL 61 13.989 -13.053 -6.971 446 HB VAL 61 HB VAL 61 12.765 -15.801 -6.322 447 HG11 VAL 61 HG11 VAL 61 15.174 -16.543 -6.334 448 HG12 VAL 61 HG12 VAL 61 14.460 -16.198 -7.910 449 HG13 VAL 61 HG13 VAL 61 15.563 -15.044 -7.152 450 HG21 VAL 61 HG21 VAL 61 14.256 -15.706 -4.334 451 HG22 VAL 61 HG22 VAL 61 14.720 -14.093 -4.728 452 HG23 VAL 61 HG23 VAL 61 13.038 -14.405 -4.301 453 H VAL 62 H VAL 62 14.563 -13.066 -9.038 454 HA VAL 62 HA VAL 62 12.628 -14.241 -11.031 455 HB VAL 62 HB VAL 62 14.531 -11.900 -11.365 456 HG11 VAL 62 HG11 VAL 62 12.478 -13.134 -13.243 457 HG12 VAL 62 HG12 VAL 62 13.272 -11.573 -13.495 458 HG13 VAL 62 HG13 VAL 62 14.239 -13.060 -13.487 459 HG21 VAL 62 HG21 VAL 62 12.515 -10.492 -11.479 460 HG22 VAL 62 HG22 VAL 62 11.493 -11.923 -11.161 461 HG23 VAL 62 HG23 VAL 62 12.601 -11.339 -9.926 462 H THR 63 H THR 63 13.461 -15.737 -12.522 463 HA THR 63 HA THR 63 16.431 -16.093 -12.486 464 HB THR 63 HB THR 63 14.372 -18.289 -12.882 465 HG1 THR 63 HG1 THR 63 14.536 -17.577 -10.691 466 HG21 THR 63 HG21 THR 63 17.380 -18.265 -12.790 467 HG22 THR 63 HG22 THR 63 16.306 -18.848 -14.087 468 HG23 THR 63 HG23 THR 63 16.397 -19.737 -12.539 469 HA PRO 64 HA PRO 64 15.737 -15.078 -16.808 470 HB2 PRO 64 HB2 PRO 64 18.270 -15.122 -17.725 471 HB3 PRO 64 HB3 PRO 64 17.738 -13.830 -16.612 472 HG2 PRO 64 HG2 PRO 64 19.212 -16.354 -15.931 473 HG3 PRO 64 HG3 PRO 64 19.626 -14.668 -15.508 474 HD2 PRO 64 HD2 PRO 64 18.253 -16.225 -13.739 475 HD3 PRO 64 HD3 PRO 64 17.860 -14.475 -13.936 476 H ALA 65 H ALA 65 15.710 -16.247 -18.798 477 HA ALA 65 HA ALA 65 15.625 -19.137 -18.513 478 HB1 ALA 65 HB1 ALA 65 15.354 -17.434 -21.013 479 HB2 ALA 65 HB2 ALA 65 14.893 -19.138 -20.838 480 HB3 ALA 65 HB3 ALA 65 14.023 -17.883 -19.929 481 H ALA 66 H ALA 66 18.034 -16.926 -19.550 482 HA ALA 66 HA ALA 66 19.879 -19.120 -20.256 483 HB1 ALA 66 HB1 ALA 66 19.606 -16.699 -22.126 484 HB2 ALA 66 HB2 ALA 66 20.458 -18.292 -22.426 485 HB3 ALA 66 HB3 ALA 66 18.668 -18.203 -22.407 486 HA PRO 67 HA PRO 67 22.441 -16.560 -17.873 487 HB2 PRO 67 HB2 PRO 67 24.955 -16.983 -18.819 488 HB3 PRO 67 HB3 PRO 67 24.089 -18.215 -17.958 489 HG2 PRO 67 HG2 PRO 67 24.326 -17.777 -20.921 490 HG3 PRO 67 HG3 PRO 67 24.674 -19.275 -20.013 491 HD2 PRO 67 HD2 PRO 67 22.300 -18.943 -21.231 492 HD3 PRO 67 HD3 PRO 67 22.310 -19.631 -19.560 493 H LEU 68 H LEU 68 23.509 -14.474 -17.867 494 HA LEU 68 HA LEU 68 22.914 -12.935 -20.301 495 HB2 LEU 68 HB2 LEU 68 23.832 -12.007 -17.574 496 HB3 LEU 68 HB3 LEU 68 23.280 -10.956 -18.880 497 HG LEU 68 HG LEU 68 21.558 -12.950 -17.354 498 HD11 LEU 68 HD11 LEU 68 21.626 -9.892 -17.250 499 HD12 LEU 68 HD12 LEU 68 22.300 -10.988 -16.000 500 HD13 LEU 68 HD13 LEU 68 20.558 -10.980 -16.336 501 HD21 LEU 68 HD21 LEU 68 19.669 -11.739 -18.459 502 HD22 LEU 68 HD22 LEU 68 20.699 -12.650 -19.621 503 HD23 LEU 68 HD23 LEU 68 20.858 -10.913 -19.498 504 H ALA 69 H ALA 69 24.314 -11.997 -21.636 505 HA ALA 69 HA ALA 69 27.170 -12.495 -21.363 506 HB1 ALA 69 HB1 ALA 69 27.286 -11.476 -23.583 507 HB2 ALA 69 HB2 ALA 69 25.838 -12.495 -23.565 508 HB3 ALA 69 HB3 ALA 69 25.677 -10.748 -23.388 509 H ALA 70 H ALA 70 28.729 -10.589 -21.627 510 HA ALA 70 HA ALA 70 28.307 -8.572 -19.584 511 HB1 ALA 70 HB1 ALA 70 30.415 -7.619 -20.587 512 HB2 ALA 70 HB2 ALA 70 30.537 -9.359 -20.390 513 HB3 ALA 70 HB3 ALA 70 30.226 -8.679 -22.007 514 H GLY 71 H GLY 71 27.778 -6.330 -19.781 515 HA2 GLY 71 HA2 GLY 71 27.452 -4.578 -21.724 516 HA3 GLY 71 HA3 GLY 71 26.223 -5.714 -22.253 517 H ASN 72 H ASN 72 25.208 -3.374 -21.920 518 HA ASN 72 HA ASN 72 24.314 -2.875 -19.098 519 HB2 ASN 72 HB2 ASN 72 25.173 -1.071 -20.617 520 HB3 ASN 72 HB3 ASN 72 23.749 -1.285 -21.625 521 HD21 ASN 72 HD21 ASN 72 25.031 0.673 -19.403 522 HD22 ASN 72 HD22 ASN 72 23.587 1.265 -18.611 523 H TYR 73 H TYR 73 22.355 -3.395 -18.309 524 HA TYR 73 HA TYR 73 20.228 -4.307 -20.243 525 HB2 TYR 73 HB2 TYR 73 20.960 -5.413 -17.484 526 HB3 TYR 73 HB3 TYR 73 19.544 -5.865 -18.428 527 HD1 TYR 73 HD1 TYR 73 19.591 -7.435 -20.169 528 HD2 TYR 73 HD2 TYR 73 23.248 -6.023 -18.481 529 HE1 TYR 73 HE1 TYR 73 20.786 -9.240 -21.382 530 HE2 TYR 73 HE2 TYR 73 24.493 -7.836 -19.702 531 HH TYR 73 HH TYR 73 24.357 -9.599 -21.033 532 H LYS 74 H LYS 74 18.096 -3.967 -19.683 533 HA LYS 74 HA LYS 74 17.637 -1.797 -17.662 534 HB2 LYS 74 HB2 LYS 74 17.246 -1.299 -20.096 535 HB3 LYS 74 HB3 LYS 74 16.014 -2.593 -20.066 536 HG2 LYS 74 HG2 LYS 74 14.896 -0.530 -19.984 537 HG3 LYS 74 HG3 LYS 74 14.746 -1.291 -18.398 538 HD2 LYS 74 HD2 LYS 74 16.571 0.235 -17.541 539 HD3 LYS 74 HD3 LYS 74 16.653 0.978 -19.149 540 HE2 LYS 74 HE2 LYS 74 14.288 1.576 -18.953 541 HE3 LYS 74 HE3 LYS 74 14.215 0.880 -17.341 542 HZ1 LYS 74 HZ1 LYS 74 15.715 2.600 -16.619 543 HZ2 LYS 74 HZ2 LYS 74 14.382 3.253 -17.337 544 HZ3 LYS 74 HZ3 LYS 74 15.811 3.229 -18.151 545 H VAL 75 H VAL 75 16.157 -2.214 -15.963 546 HA VAL 75 HA VAL 75 14.586 -4.750 -16.209 547 HB VAL 75 HB VAL 75 15.670 -3.458 -13.635 548 HG11 VAL 75 HG11 VAL 75 14.758 -5.559 -12.561 549 HG12 VAL 75 HG12 VAL 75 13.497 -4.488 -13.225 550 HG13 VAL 75 HG13 VAL 75 13.972 -5.961 -14.145 551 HG21 VAL 75 HG21 VAL 75 17.362 -4.714 -15.066 552 HG22 VAL 75 HG22 VAL 75 17.140 -5.347 -13.459 553 HG23 VAL 75 HG23 VAL 75 16.373 -6.171 -14.838 554 H VAL 76 H VAL 76 12.450 -4.442 -16.160 555 HA VAL 76 HA VAL 76 11.326 -1.917 -15.017 556 HB VAL 76 HB VAL 76 10.362 -3.446 -17.499 557 HG11 VAL 76 HG11 VAL 76 9.267 -0.976 -16.069 558 HG12 VAL 76 HG12 VAL 76 8.780 -1.505 -17.672 559 HG13 VAL 76 HG13 VAL 76 8.479 -2.563 -16.271 560 HG21 VAL 76 HG21 VAL 76 11.568 -0.627 -17.231 561 HG22 VAL 76 HG22 VAL 76 12.405 -2.047 -17.892 562 HG23 VAL 76 HG23 VAL 76 11.025 -1.394 -18.710 563 H TRP 77 H TRP 77 9.665 -2.356 -13.440 564 HA TRP 77 HA TRP 77 8.694 -5.147 -13.480 565 HB2 TRP 77 HB2 TRP 77 9.134 -5.419 -11.068 566 HB3 TRP 77 HB3 TRP 77 10.575 -5.259 -12.004 567 HD1 TRP 77 HD1 TRP 77 12.130 -3.157 -11.556 568 HE1 TRP 77 HE1 TRP 77 12.290 -1.338 -9.783 569 HE3 TRP 77 HE3 TRP 77 7.635 -3.981 -9.386 570 HZ2 TRP 77 HZ2 TRP 77 10.583 -0.301 -7.760 571 HZ3 TRP 77 HZ3 TRP 77 6.938 -2.508 -7.430 572 HH2 TRP 77 HH2 TRP 77 8.371 -0.633 -6.729 573 H ASN 78 H ASN 78 6.763 -5.602 -12.601 574 HA ASN 78 HA ASN 78 5.136 -3.298 -11.579 575 HB2 ASN 78 HB2 ASN 78 4.262 -5.701 -13.213 576 HB3 ASN 78 HB3 ASN 78 3.177 -4.408 -12.643 577 HD21 ASN 78 HD21 ASN 78 4.546 -2.118 -13.197 578 HD22 ASN 78 HD22 ASN 78 4.751 -1.922 -14.931 579 H ALA 79 H ALA 79 4.508 -3.669 -9.464 580 HA ALA 79 HA ALA 79 4.371 -6.538 -8.566 581 HB1 ALA 79 HB1 ALA 79 5.208 -5.662 -6.384 582 HB2 ALA 79 HB2 ALA 79 6.393 -5.565 -7.655 583 HB3 ALA 79 HB3 ALA 79 5.512 -4.127 -7.130 584 H VAL 80 H VAL 80 2.631 -7.002 -7.163 585 HA VAL 80 HA VAL 80 0.738 -4.772 -6.740 586 HB VAL 80 HB VAL 80 0.023 -7.697 -7.362 587 HG11 VAL 80 HG11 VAL 80 -1.584 -6.726 -5.804 588 HG12 VAL 80 HG12 VAL 80 -1.808 -5.329 -6.901 589 HG13 VAL 80 HG13 VAL 80 -2.293 -6.975 -7.390 590 HG21 VAL 80 HG21 VAL 80 0.775 -6.472 -9.391 591 HG22 VAL 80 HG22 VAL 80 -0.960 -6.788 -9.452 592 HG23 VAL 80 HG23 VAL 80 -0.392 -5.191 -9.059 593 H SER 81 H SER 81 0.254 -4.447 -4.667 594 HA SER 81 HA SER 81 1.688 -5.948 -2.678 595 HB2 SER 81 HB2 SER 81 0.687 -4.342 -1.136 596 HB3 SER 81 HB3 SER 81 1.274 -3.457 -2.541 597 HG SER 81 HG SER 81 -0.741 -2.781 -2.061 598 H VAL 82 H VAL 82 0.527 -6.754 -0.669 599 HA VAL 82 HA VAL 82 -1.512 -8.650 -1.496 600 HB VAL 82 HB VAL 82 -1.644 -9.294 0.920 601 HG11 VAL 82 HG11 VAL 82 0.727 -9.915 1.273 602 HG12 VAL 82 HG12 VAL 82 0.138 -10.333 -0.333 603 HG13 VAL 82 HG13 VAL 82 1.215 -8.891 -0.129 604 HG21 VAL 82 HG21 VAL 82 -0.294 -8.156 2.579 605 HG22 VAL 82 HG22 VAL 82 0.364 -7.012 1.359 606 HG23 VAL 82 HG23 VAL 82 -1.368 -6.957 1.839 607 H ASP 83 H ASP 83 -1.637 -5.363 -0.715 608 HA ASP 83 HA ASP 83 -4.480 -5.539 0.106 609 HB2 ASP 83 HB2 ASP 83 -2.744 -3.901 1.120 610 HB3 ASP 83 HB3 ASP 83 -2.832 -3.028 -0.419 611 H THR 84 H THR 84 -3.322 -6.304 -2.570 612 HA THR 84 HA THR 84 -3.632 -6.202 -4.767 613 HB THR 84 HB THR 84 -6.006 -6.684 -4.076 614 HG1 THR 84 HG1 THR 84 -5.330 -5.361 -6.468 615 HG21 THR 84 HG21 THR 84 -6.271 -3.688 -4.511 616 HG22 THR 84 HG22 THR 84 -6.922 -4.741 -3.188 617 HG23 THR 84 HG23 THR 84 -7.626 -4.789 -4.821 618 H HIS 85 H HIS 85 -2.958 -3.226 -3.439 619 HA HIS 85 HA HIS 85 -3.615 -1.645 -5.801 620 HB2 HIS 85 HB2 HIS 85 -1.776 -1.075 -3.436 621 HB3 HIS 85 HB3 HIS 85 -2.182 0.086 -4.736 622 HD1 HIS 85 HD1 HIS 85 -4.860 0.649 -4.951 623 HD2 HIS 85 HD2 HIS 85 -3.523 -1.026 -1.383 624 HE1 HIS 85 HE1 HIS 85 -6.696 1.073 -3.237 625 H LYS 86 H LYS 86 -2.285 -1.032 -7.499 626 HA LYS 86 HA LYS 86 0.003 -2.686 -8.134 627 HB2 LYS 86 HB2 LYS 86 -1.856 -1.884 -9.690 628 HB3 LYS 86 HB3 LYS 86 -1.201 -0.261 -9.544 629 HG2 LYS 86 HG2 LYS 86 0.941 -1.073 -10.606 630 HG3 LYS 86 HG3 LYS 86 0.166 -2.647 -10.869 631 HD2 LYS 86 HD2 LYS 86 -0.081 -1.495 -12.909 632 HD3 LYS 86 HD3 LYS 86 -1.665 -1.473 -12.106 633 HE2 LYS 86 HE2 LYS 86 -1.203 0.848 -11.339 634 HE3 LYS 86 HE3 LYS 86 0.370 0.834 -12.153 635 HZ1 LYS 86 HZ1 LYS 86 -1.130 1.837 -13.592 636 HZ2 LYS 86 HZ2 LYS 86 -2.319 0.680 -13.348 637 HZ3 LYS 86 HZ3 LYS 86 -0.967 0.290 -14.180 638 H SER 87 H SER 87 2.157 -2.174 -8.368 639 HA SER 87 HA SER 87 2.909 0.671 -7.993 640 HB2 SER 87 HB2 SER 87 3.138 -0.340 -5.715 641 HB3 SER 87 HB3 SER 87 4.146 -1.634 -6.446 642 HG SER 87 HG SER 87 5.409 0.082 -5.503 643 H ASN 88 H ASN 88 4.951 1.166 -9.073 644 HA ASN 88 HA ASN 88 6.164 -1.044 -10.587 645 HB2 ASN 88 HB2 ASN 88 5.915 0.086 -12.732 646 HB3 ASN 88 HB3 ASN 88 4.307 -0.197 -12.035 647 HD21 ASN 88 HD21 ASN 88 6.010 1.945 -13.760 648 HD22 ASN 88 HD22 ASN 88 5.346 3.436 -13.171 649 H GLY 89 H GLY 89 8.115 -0.419 -11.761 650 HA2 GLY 89 HA2 GLY 89 9.267 2.171 -11.464 651 HA3 GLY 89 HA3 GLY 89 9.902 1.102 -10.215 652 H GLU 90 H GLU 90 11.761 2.030 -11.936 653 HA GLU 90 HA GLU 90 12.511 -0.409 -13.392 654 HB2 GLU 90 HB2 GLU 90 12.733 0.731 -15.587 655 HB3 GLU 90 HB3 GLU 90 11.067 0.805 -15.006 656 HG2 GLU 90 HG2 GLU 90 11.395 3.171 -14.290 657 HG3 GLU 90 HG3 GLU 90 13.029 3.099 -15.031 658 H TYR 91 H TYR 91 14.785 -0.491 -13.968 659 HA TYR 91 HA TYR 91 16.463 1.813 -13.363 660 HB2 TYR 91 HB2 TYR 91 17.794 0.679 -11.635 661 HB3 TYR 91 HB3 TYR 91 16.138 0.885 -11.101 662 HD1 TYR 91 HD1 TYR 91 18.751 -1.572 -12.008 663 HD2 TYR 91 HD2 TYR 91 14.629 -1.059 -10.830 664 HE1 TYR 91 HE1 TYR 91 18.664 -3.998 -11.364 665 HE2 TYR 91 HE2 TYR 91 14.538 -3.514 -10.219 666 HH TYR 91 HH TYR 91 15.714 -5.457 -9.977 667 H SER 92 H SER 92 18.838 1.259 -13.806 668 HA SER 92 HA SER 92 19.011 -1.009 -15.746 669 HB2 SER 92 HB2 SER 92 20.460 0.434 -17.157 670 HB3 SER 92 HB3 SER 92 18.868 1.194 -16.889 671 HG SER 92 HG SER 92 21.323 1.796 -15.559 672 H PHE 93 H PHE 93 21.186 -1.905 -16.055 673 HA PHE 93 HA PHE 93 23.222 -1.154 -14.098 674 HB2 PHE 93 HB2 PHE 93 23.322 -3.167 -12.829 675 HB3 PHE 93 HB3 PHE 93 21.653 -2.592 -12.741 676 HD1 PHE 93 HD1 PHE 93 19.863 -3.847 -13.931 677 HD2 PHE 93 HD2 PHE 93 23.929 -5.245 -13.990 678 HE1 PHE 93 HE1 PHE 93 19.130 -6.146 -14.768 679 HE2 PHE 93 HE2 PHE 93 23.194 -7.455 -14.767 680 HZ PHE 93 HZ PHE 93 20.830 -7.925 -15.149 681 H LYS 94 H LYS 94 25.220 -2.675 -14.351 682 HA LYS 94 HA LYS 94 25.198 -3.650 -17.168 683 HB2 LYS 94 HB2 LYS 94 26.159 -1.387 -16.887 684 HB3 LYS 94 HB3 LYS 94 27.384 -2.044 -15.784 685 HG2 LYS 94 HG2 LYS 94 28.368 -3.311 -17.693 686 HG3 LYS 94 HG3 LYS 94 27.108 -2.675 -18.785 687 HD2 LYS 94 HD2 LYS 94 27.721 -0.350 -18.186 688 HD3 LYS 94 HD3 LYS 94 29.049 -0.977 -17.184 689 HE2 LYS 94 HE2 LYS 94 30.119 -1.967 -19.215 690 HE3 LYS 94 HE3 LYS 94 28.772 -1.363 -20.224 691 HZ1 LYS 94 HZ1 LYS 94 30.573 0.285 -18.571 692 HZ2 LYS 94 HZ2 LYS 94 29.334 0.873 -19.481 693 HZ3 LYS 94 HZ3 LYS 94 30.622 0.179 -20.209 694 H VAL 95 H VAL 95 26.002 -5.614 -17.559 695 HA VAL 95 HA VAL 95 27.240 -7.088 -15.278 696 HB VAL 95 HB VAL 95 26.502 -7.964 -18.121 697 HG11 VAL 95 HG11 VAL 95 27.432 -9.685 -15.772 698 HG12 VAL 95 HG12 VAL 95 26.843 -10.286 -17.324 699 HG13 VAL 95 HG13 VAL 95 28.344 -9.350 -17.225 700 HG21 VAL 95 HG21 VAL 95 24.766 -9.268 -16.772 701 HG22 VAL 95 HG22 VAL 95 25.115 -8.182 -15.417 702 HG23 VAL 95 HG23 VAL 95 24.498 -7.540 -16.944 703 H GLY 96 H GLY 96 29.458 -7.336 -15.068 704 HA2 GLY 96 HA2 GLY 96 31.180 -7.534 -17.326 705 HA3 GLY 96 HA3 GLY 96 31.256 -5.867 -16.671 706 H GLN 97 H GLN 97 30.785 -8.778 -14.760 707 HA GLN 97 HA GLN 97 31.907 -9.593 -12.919 708 HB2 GLN 97 HB2 GLN 97 33.525 -10.189 -14.764 709 HB3 GLN 97 HB3 GLN 97 34.404 -8.722 -14.356 710 HG2 GLN 97 HG2 GLN 97 34.771 -9.593 -12.052 711 HG3 GLN 97 HG3 GLN 97 33.888 -11.089 -12.476 712 HE21 GLN 97 HE21 GLN 97 36.902 -9.739 -12.128 713 HE22 GLN 97 HE22 GLN 97 37.767 -10.892 -13.119 Start of MODEL 14 1 H1 HIS 1 H1 HIS 1 3.841 2.286 1.685 2 H2 HIS 1 H2 HIS 1 2.192 2.096 1.987 3 H3 HIS 1 H3 HIS 1 3.251 0.868 2.419 4 HA HIS 1 HA HIS 1 2.084 0.253 0.442 5 HB2 HIS 1 HB2 HIS 1 3.320 2.702 -0.834 6 HB3 HIS 1 HB3 HIS 1 2.232 1.544 -1.606 7 HD1 HIS 1 HD1 HIS 1 2.295 4.490 0.815 8 HD2 HIS 1 HD2 HIS 1 -0.461 1.921 -0.983 9 HE1 HIS 1 HE1 HIS 1 0.034 5.504 1.134 10 H ALA 2 H ALA 2 3.189 -0.891 -1.330 11 HA ALA 2 HA ALA 2 5.793 -1.780 -0.437 12 HB1 ALA 2 HB1 ALA 2 4.276 -2.370 -3.038 13 HB2 ALA 2 HB2 ALA 2 5.661 -3.288 -2.425 14 HB3 ALA 2 HB3 ALA 2 4.117 -3.306 -1.544 15 H HIS 3 H HIS 3 7.618 -0.657 -0.718 16 HA HIS 3 HA HIS 3 8.224 0.356 -3.463 17 HB2 HIS 3 HB2 HIS 3 8.996 1.756 -0.847 18 HB3 HIS 3 HB3 HIS 3 9.518 2.211 -2.500 19 HD1 HIS 3 HD1 HIS 3 7.366 2.835 -4.175 20 HD2 HIS 3 HD2 HIS 3 6.747 3.030 -0.041 21 HE1 HIS 3 HE1 HIS 3 5.238 4.180 -3.755 22 H LEU 4 H LEU 4 10.571 0.149 -3.931 23 HA LEU 4 HA LEU 4 11.656 -2.319 -2.920 24 HB2 LEU 4 HB2 LEU 4 11.985 -1.479 -5.276 25 HB3 LEU 4 HB3 LEU 4 12.939 -0.151 -4.621 26 HG LEU 4 HG LEU 4 14.628 -1.807 -3.840 27 HD11 LEU 4 HD11 LEU 4 13.106 -3.775 -3.642 28 HD12 LEU 4 HD12 LEU 4 14.489 -4.094 -4.709 29 HD13 LEU 4 HD13 LEU 4 12.912 -3.755 -5.435 30 HD21 LEU 4 HD21 LEU 4 14.688 -0.674 -6.100 31 HD22 LEU 4 HD22 LEU 4 13.881 -2.034 -6.815 32 HD23 LEU 4 HD23 LEU 4 15.512 -2.246 -6.124 33 H LYS 5 H LYS 5 12.915 -2.568 -1.060 34 HA LYS 5 HA LYS 5 14.245 -0.099 -0.024 35 HB2 LYS 5 HB2 LYS 5 13.388 -2.567 1.511 36 HB3 LYS 5 HB3 LYS 5 14.168 -1.138 2.175 37 HG2 LYS 5 HG2 LYS 5 11.414 -1.159 0.861 38 HG3 LYS 5 HG3 LYS 5 11.781 -1.131 2.600 39 HD2 LYS 5 HD2 LYS 5 12.980 1.062 2.264 40 HD3 LYS 5 HD3 LYS 5 12.579 0.993 0.544 41 HE2 LYS 5 HE2 LYS 5 10.097 1.028 1.151 42 HE3 LYS 5 HE3 LYS 5 10.615 1.167 2.847 43 HZ1 LYS 5 HZ1 LYS 5 11.681 3.246 2.261 44 HZ2 LYS 5 HZ2 LYS 5 10.086 3.325 1.845 45 HZ3 LYS 5 HZ3 LYS 5 11.245 3.098 0.700 46 H SER 6 H SER 6 14.907 -3.360 -1.068 47 HA SER 6 HA SER 6 17.756 -2.801 -0.805 48 HB2 SER 6 HB2 SER 6 17.264 -3.822 1.398 49 HB3 SER 6 HB3 SER 6 16.501 -5.215 0.573 50 HG SER 6 HG SER 6 19.152 -4.476 0.820 51 H ALA 7 H ALA 7 18.966 -4.310 -2.153 52 HA ALA 7 HA ALA 7 17.412 -6.016 -3.979 53 HB1 ALA 7 HB1 ALA 7 18.074 -4.684 -5.983 54 HB2 ALA 7 HB2 ALA 7 16.984 -3.766 -4.950 55 HB3 ALA 7 HB3 ALA 7 18.743 -3.412 -4.951 56 H THR 8 H THR 8 18.549 -6.990 -5.682 57 HA THR 8 HA THR 8 21.302 -7.870 -4.976 58 HB THR 8 HB THR 8 19.278 -8.721 -7.168 59 HG1 THR 8 HG1 THR 8 18.531 -9.211 -5.050 60 HG21 THR 8 HG21 THR 8 21.762 -10.115 -6.167 61 HG22 THR 8 HG22 THR 8 21.440 -9.528 -7.835 62 HG23 THR 8 HG23 THR 8 20.516 -10.901 -7.169 63 HA PRO 9 HA PRO 9 23.645 -5.051 -7.344 64 HB2 PRO 9 HB2 PRO 9 23.035 -6.103 -10.081 65 HB3 PRO 9 HB3 PRO 9 24.562 -5.744 -9.265 66 HG2 PRO 9 HG2 PRO 9 22.915 -8.278 -9.149 67 HG3 PRO 9 HG3 PRO 9 24.653 -8.129 -8.869 68 HD2 PRO 9 HD2 PRO 9 23.019 -8.536 -6.753 69 HD3 PRO 9 HD3 PRO 9 24.226 -7.219 -6.586 70 H ALA 10 H ALA 10 23.097 -3.330 -6.931 71 HA ALA 10 HA ALA 10 20.694 -2.010 -7.426 72 HB1 ALA 10 HB1 ALA 10 22.495 -1.667 -5.594 73 HB2 ALA 10 HB2 ALA 10 23.341 -0.620 -6.769 74 HB3 ALA 10 HB3 ALA 10 21.682 -0.265 -6.218 75 H ALA 11 H ALA 11 20.485 0.101 -8.486 76 HA ALA 11 HA ALA 11 21.117 -0.117 -11.158 77 HB1 ALA 11 HB1 ALA 11 19.286 1.252 -10.068 78 HB2 ALA 11 HB2 ALA 11 20.561 2.446 -9.726 79 HB3 ALA 11 HB3 ALA 11 20.131 2.075 -11.418 80 H ASP 12 H ASP 12 22.503 0.805 -12.573 81 HA ASP 12 HA ASP 12 24.462 1.566 -13.462 82 HB2 ASP 12 HB2 ASP 12 24.762 3.218 -10.906 83 HB3 ASP 12 HB3 ASP 12 25.738 3.427 -12.368 84 H SER 13 H SER 13 24.396 -0.655 -11.170 85 HA SER 13 HA SER 13 27.176 -0.639 -10.286 86 HB2 SER 13 HB2 SER 13 25.100 -2.840 -10.111 87 HB3 SER 13 HB3 SER 13 26.694 -2.852 -9.354 88 HG SER 13 HG SER 13 24.574 -1.085 -8.797 89 H THR 14 H THR 14 28.863 -2.188 -10.933 90 HA THR 14 HA THR 14 28.175 -3.604 -13.472 91 HB THR 14 HB THR 14 30.922 -2.666 -12.695 92 HG1 THR 14 HG1 THR 14 30.594 -1.038 -14.138 93 HG21 THR 14 HG21 THR 14 29.811 -3.959 -15.200 94 HG22 THR 14 HG22 THR 14 31.018 -4.628 -14.089 95 HG23 THR 14 HG23 THR 14 31.412 -3.212 -15.058 96 H VAL 15 H VAL 15 27.850 -5.756 -13.080 97 HA VAL 15 HA VAL 15 29.696 -7.062 -11.138 98 HB VAL 15 HB VAL 15 27.716 -8.338 -10.287 99 HG11 VAL 15 HG11 VAL 15 26.783 -6.584 -8.925 100 HG12 VAL 15 HG12 VAL 15 28.473 -6.149 -9.251 101 HG13 VAL 15 HG13 VAL 15 27.177 -5.343 -10.114 102 HG21 VAL 15 HG21 VAL 15 25.985 -6.431 -11.992 103 HG22 VAL 15 HG22 VAL 15 26.310 -8.109 -12.434 104 HG23 VAL 15 HG23 VAL 15 25.418 -7.702 -10.924 105 H ALA 16 H ALA 16 29.703 -9.434 -11.242 106 HA ALA 16 HA ALA 16 29.833 -10.503 -13.954 107 HB1 ALA 16 HB1 ALA 16 30.187 -12.606 -12.760 108 HB2 ALA 16 HB2 ALA 16 31.224 -11.347 -12.069 109 HB3 ALA 16 HB3 ALA 16 29.748 -11.839 -11.234 110 H ALA 17 H ALA 17 28.253 -12.136 -14.802 111 HA ALA 17 HA ALA 17 25.604 -11.243 -14.292 112 HB1 ALA 17 HB1 ALA 17 26.416 -13.855 -15.599 113 HB2 ALA 17 HB2 ALA 17 24.817 -13.051 -15.695 114 HB3 ALA 17 HB3 ALA 17 26.242 -12.267 -16.414 115 HA PRO 18 HA PRO 18 24.946 -13.658 -10.629 116 HB2 PRO 18 HB2 PRO 18 22.461 -12.921 -9.960 117 HB3 PRO 18 HB3 PRO 18 23.834 -11.784 -9.854 118 HG2 PRO 18 HG2 PRO 18 21.826 -12.190 -12.023 119 HG3 PRO 18 HG3 PRO 18 22.247 -10.652 -11.221 120 HD2 PRO 18 HD2 PRO 18 23.319 -11.360 -13.592 121 HD3 PRO 18 HD3 PRO 18 24.300 -10.492 -12.367 122 H ALA 19 H ALA 19 23.660 -15.549 -9.792 123 HA ALA 19 HA ALA 19 22.701 -17.182 -12.002 124 HB1 ALA 19 HB1 ALA 19 23.685 -18.223 -9.891 125 HB2 ALA 19 HB2 ALA 19 22.293 -17.597 -8.972 126 HB3 ALA 19 HB3 ALA 19 22.038 -18.808 -10.206 127 H ASP 20 H ASP 20 21.214 -15.131 -9.477 128 HA ASP 20 HA ASP 20 18.752 -14.851 -11.091 129 HB2 ASP 20 HB2 ASP 20 17.219 -15.499 -9.287 130 HB3 ASP 20 HB3 ASP 20 18.300 -16.837 -9.624 131 H LEU 21 H LEU 21 17.342 -13.007 -10.199 132 HA LEU 21 HA LEU 21 19.051 -11.071 -8.643 133 HB2 LEU 21 HB2 LEU 21 16.911 -10.424 -10.704 134 HB3 LEU 21 HB3 LEU 21 17.792 -9.286 -9.701 135 HG LEU 21 HG LEU 21 19.892 -9.857 -10.895 136 HD11 LEU 21 HD11 LEU 21 19.601 -10.929 -13.171 137 HD12 LEU 21 HD12 LEU 21 17.979 -11.436 -12.685 138 HD13 LEU 21 HD13 LEU 21 19.431 -12.059 -11.865 139 HD21 LEU 21 HD21 LEU 21 17.560 -8.842 -12.532 140 HD22 LEU 21 HD22 LEU 21 19.267 -8.627 -12.980 141 HD23 LEU 21 HD23 LEU 21 18.638 -7.889 -11.497 142 H ARG 22 H ARG 22 18.111 -10.348 -6.725 143 HA ARG 22 HA ARG 22 15.232 -11.082 -6.332 144 HB2 ARG 22 HB2 ARG 22 17.500 -11.156 -4.391 145 HB3 ARG 22 HB3 ARG 22 15.772 -11.303 -3.942 146 HG2 ARG 22 HG2 ARG 22 16.051 -13.526 -4.199 147 HG3 ARG 22 HG3 ARG 22 16.063 -13.157 -5.917 148 HD2 ARG 22 HD2 ARG 22 17.893 -14.523 -5.576 149 HD3 ARG 22 HD3 ARG 22 18.582 -12.896 -5.791 150 HE ARG 22 HE ARG 22 18.208 -13.248 -3.046 151 HH11 ARG 22 HH11 ARG 22 20.094 -14.911 -5.553 152 HH12 ARG 22 HH12 ARG 22 21.405 -15.230 -4.430 153 HH21 ARG 22 HH21 ARG 22 19.795 -13.975 -1.641 154 HH22 ARG 22 HH22 ARG 22 21.219 -14.797 -2.290 155 H LEU 23 H LEU 23 13.913 -9.617 -5.435 156 HA LEU 23 HA LEU 23 15.078 -6.915 -4.877 157 HB2 LEU 23 HB2 LEU 23 12.400 -7.638 -6.147 158 HB3 LEU 23 HB3 LEU 23 12.877 -6.017 -5.691 159 HG LEU 23 HG LEU 23 14.618 -6.014 -7.419 160 HD11 LEU 23 HD11 LEU 23 14.315 -7.672 -9.358 161 HD12 LEU 23 HD12 LEU 23 13.419 -8.721 -8.170 162 HD13 LEU 23 HD13 LEU 23 15.168 -8.263 -7.930 163 HD21 LEU 23 HD21 LEU 23 13.022 -5.677 -9.236 164 HD22 LEU 23 HD22 LEU 23 12.323 -5.062 -7.716 165 HD23 LEU 23 HD23 LEU 23 11.794 -6.616 -8.422 166 H THR 24 H THR 24 14.365 -6.036 -2.858 167 HA THR 24 HA THR 24 12.418 -7.723 -1.323 168 HB THR 24 HB THR 24 14.754 -6.147 -0.207 169 HG1 THR 24 HG1 THR 24 14.404 -8.941 -0.076 170 HG21 THR 24 HG21 THR 24 13.009 -6.207 1.424 171 HG22 THR 24 HG22 THR 24 14.150 -7.511 1.866 172 HG23 THR 24 HG23 THR 24 12.604 -7.910 1.075 173 H PHE 25 H PHE 25 10.593 -6.707 -0.776 174 HA PHE 25 HA PHE 25 10.531 -3.722 -1.055 175 HB2 PHE 25 HB2 PHE 25 8.245 -5.769 -1.344 176 HB3 PHE 25 HB3 PHE 25 8.144 -4.025 -1.608 177 HD1 PHE 25 HD1 PHE 25 9.107 -2.979 -3.616 178 HD2 PHE 25 HD2 PHE 25 9.265 -7.239 -3.007 179 HE1 PHE 25 HE1 PHE 25 9.738 -3.263 -6.010 180 HE2 PHE 25 HE2 PHE 25 9.907 -7.562 -5.398 181 HZ PHE 25 HZ PHE 25 10.079 -5.540 -6.936 182 H SER 26 H SER 26 9.012 -2.559 0.353 183 HA SER 26 HA SER 26 9.428 -3.304 3.103 184 HB2 SER 26 HB2 SER 26 8.114 -1.307 3.579 185 HB3 SER 26 HB3 SER 26 9.302 -0.989 2.278 186 HG SER 26 HG SER 26 7.157 -0.187 1.805 187 H GLU 27 H GLU 27 6.903 -4.093 0.886 188 HA GLU 27 HA GLU 27 5.156 -5.179 3.056 189 HB2 GLU 27 HB2 GLU 27 4.322 -2.982 2.203 190 HB3 GLU 27 HB3 GLU 27 4.296 -3.708 0.564 191 HG2 GLU 27 HG2 GLU 27 2.105 -3.745 1.270 192 HG3 GLU 27 HG3 GLU 27 2.616 -5.411 1.544 193 H GLY 28 H GLY 28 4.170 -7.238 2.361 194 HA2 GLY 28 HA2 GLY 28 5.809 -8.597 0.478 195 HA3 GLY 28 HA3 GLY 28 4.322 -9.224 1.204 196 H VAL 29 H VAL 29 5.266 -9.564 -1.566 197 HA VAL 29 HA VAL 29 3.064 -8.137 -3.002 198 HB VAL 29 HB VAL 29 4.503 -8.153 -5.005 199 HG11 VAL 29 HG11 VAL 29 6.266 -6.470 -4.174 200 HG12 VAL 29 HG12 VAL 29 4.572 -6.032 -3.833 201 HG13 VAL 29 HG13 VAL 29 5.620 -6.724 -2.546 202 HG21 VAL 29 HG21 VAL 29 5.893 -10.094 -4.535 203 HG22 VAL 29 HG22 VAL 29 6.925 -8.694 -4.888 204 HG23 VAL 29 HG23 VAL 29 6.686 -9.242 -3.155 205 H GLU 30 H GLU 30 2.134 -9.310 -4.842 206 HA GLU 30 HA GLU 30 1.973 -12.177 -4.194 207 HB2 GLU 30 HB2 GLU 30 0.485 -10.538 -6.264 208 HB3 GLU 30 HB3 GLU 30 0.175 -12.232 -5.907 209 HG2 GLU 30 HG2 GLU 30 -0.162 -9.984 -3.851 210 HG3 GLU 30 HG3 GLU 30 -1.459 -10.579 -4.860 211 H ALA 31 H ALA 31 3.258 -13.653 -5.282 212 HA ALA 31 HA ALA 31 4.986 -12.827 -7.383 213 HB1 ALA 31 HB1 ALA 31 4.157 -15.654 -6.499 214 HB2 ALA 31 HB2 ALA 31 5.592 -15.253 -7.519 215 HB3 ALA 31 HB3 ALA 31 5.491 -14.698 -5.836 216 H THR 32 H THR 32 1.786 -14.257 -7.398 217 HA THR 32 HA THR 32 1.762 -15.223 -10.128 218 HB THR 32 HB THR 32 -0.541 -14.305 -8.358 219 HG1 THR 32 HG1 THR 32 -0.596 -16.479 -7.725 220 HG21 THR 32 HG21 THR 32 -1.871 -15.991 -9.641 221 HG22 THR 32 HG22 THR 32 -0.462 -16.266 -10.698 222 HG23 THR 32 HG23 THR 32 -1.263 -14.698 -10.643 223 H PHE 33 H PHE 33 1.100 -12.035 -8.677 224 HA PHE 33 HA PHE 33 0.163 -11.126 -11.310 225 HB2 PHE 33 HB2 PHE 33 -0.319 -9.865 -8.614 226 HB3 PHE 33 HB3 PHE 33 -1.049 -9.366 -10.153 227 HD1 PHE 33 HD1 PHE 33 -2.205 -11.440 -11.438 228 HD2 PHE 33 HD2 PHE 33 -1.640 -11.093 -7.177 229 HE1 PHE 33 HE1 PHE 33 -3.977 -13.157 -11.039 230 HE2 PHE 33 HE2 PHE 33 -3.403 -12.791 -6.792 231 HZ PHE 33 HZ PHE 33 -4.593 -13.804 -8.732 232 H THR 34 H THR 34 2.942 -10.910 -9.500 233 HA THR 34 HA THR 34 3.672 -8.166 -10.192 234 HB THR 34 HB THR 34 5.395 -10.551 -9.429 235 HG1 THR 34 HG1 THR 34 4.082 -10.087 -7.690 236 HG21 THR 34 HG21 THR 34 6.833 -8.838 -10.382 237 HG22 THR 34 HG22 THR 34 7.003 -8.742 -8.622 238 HG23 THR 34 HG23 THR 34 6.010 -7.580 -9.476 239 H LYS 35 H LYS 35 4.567 -7.495 -12.109 240 HA LYS 35 HA LYS 35 5.138 -9.587 -14.147 241 HB2 LYS 35 HB2 LYS 35 4.185 -6.754 -14.566 242 HB3 LYS 35 HB3 LYS 35 4.591 -7.921 -15.824 243 HG2 LYS 35 HG2 LYS 35 2.768 -9.409 -15.025 244 HG3 LYS 35 HG3 LYS 35 2.349 -8.187 -13.800 245 HD2 LYS 35 HD2 LYS 35 1.935 -6.544 -15.604 246 HD3 LYS 35 HD3 LYS 35 2.294 -7.796 -16.799 247 HE2 LYS 35 HE2 LYS 35 0.103 -7.805 -14.683 248 HE3 LYS 35 HE3 LYS 35 -0.134 -7.481 -16.459 249 HZ1 LYS 35 HZ1 LYS 35 0.457 -9.702 -16.944 250 HZ2 LYS 35 HZ2 LYS 35 -0.600 -9.826 -15.702 251 HZ3 LYS 35 HZ3 LYS 35 0.996 -10.011 -15.416 252 H VAL 36 H VAL 36 7.181 -9.678 -15.055 253 HA VAL 36 HA VAL 36 8.956 -7.320 -14.512 254 HB VAL 36 HB VAL 36 9.686 -10.247 -14.120 255 HG11 VAL 36 HG11 VAL 36 11.596 -8.859 -15.037 256 HG12 VAL 36 HG12 VAL 36 11.344 -7.710 -13.702 257 HG13 VAL 36 HG13 VAL 36 11.853 -9.353 -13.345 258 HG21 VAL 36 HG21 VAL 36 9.980 -9.547 -11.710 259 HG22 VAL 36 HG22 VAL 36 9.353 -7.943 -12.117 260 HG23 VAL 36 HG23 VAL 36 8.310 -9.373 -12.226 261 H SER 37 H SER 37 10.159 -6.690 -16.219 262 HA SER 37 HA SER 37 10.410 -8.558 -18.504 263 HB2 SER 37 HB2 SER 37 9.792 -5.581 -18.585 264 HB3 SER 37 HB3 SER 37 10.232 -6.597 -19.988 265 HG SER 37 HG SER 37 8.117 -6.693 -19.971 266 H LEU 38 H LEU 38 12.400 -8.460 -19.472 267 HA LEU 38 HA LEU 38 14.509 -6.739 -18.268 268 HB2 LEU 38 HB2 LEU 38 14.602 -9.043 -17.216 269 HB3 LEU 38 HB3 LEU 38 14.630 -9.739 -18.828 270 HG LEU 38 HG LEU 38 16.819 -8.679 -19.313 271 HD11 LEU 38 HD11 LEU 38 18.196 -7.867 -17.527 272 HD12 LEU 38 HD12 LEU 38 16.903 -8.094 -16.354 273 HD13 LEU 38 HD13 LEU 38 16.754 -6.865 -17.633 274 HD21 LEU 38 HD21 LEU 38 18.103 -10.248 -17.813 275 HD22 LEU 38 HD22 LEU 38 16.679 -10.976 -18.549 276 HD23 LEU 38 HD23 LEU 38 16.612 -10.487 -16.858 277 H SER 39 H SER 39 15.855 -5.902 -19.853 278 HA SER 39 HA SER 39 15.820 -7.294 -22.475 279 HB2 SER 39 HB2 SER 39 15.502 -5.195 -23.687 280 HB3 SER 39 HB3 SER 39 14.135 -5.505 -22.602 281 HG SER 39 HG SER 39 14.980 -3.286 -22.546 282 H LYS 40 H LYS 40 17.544 -7.082 -23.745 283 HA LYS 40 HA LYS 40 20.036 -5.885 -22.482 284 HB2 LYS 40 HB2 LYS 40 19.868 -8.391 -22.757 285 HB3 LYS 40 HB3 LYS 40 19.682 -8.202 -24.503 286 HG2 LYS 40 HG2 LYS 40 22.205 -7.299 -22.937 287 HG3 LYS 40 HG3 LYS 40 21.962 -8.890 -23.687 288 HD2 LYS 40 HD2 LYS 40 21.611 -7.844 -25.924 289 HD3 LYS 40 HD3 LYS 40 22.024 -6.268 -25.197 290 HE2 LYS 40 HE2 LYS 40 24.200 -7.081 -24.511 291 HE3 LYS 40 HE3 LYS 40 23.858 -8.656 -25.262 292 HZ1 LYS 40 HZ1 LYS 40 25.140 -7.335 -26.756 293 HZ2 LYS 40 HZ2 LYS 40 24.095 -6.055 -26.690 294 HZ3 LYS 40 HZ3 LYS 40 23.640 -7.468 -27.400 295 H ASP 41 H ASP 41 20.425 -3.998 -23.454 296 HA ASP 41 HA ASP 41 20.674 -2.425 -25.035 297 HB2 ASP 41 HB2 ASP 41 22.168 -4.218 -25.960 298 HB3 ASP 41 HB3 ASP 41 20.931 -4.507 -27.188 299 H GLY 42 H GLY 42 17.948 -3.304 -24.446 300 HA2 GLY 42 HA2 GLY 42 15.852 -2.552 -25.216 301 HA3 GLY 42 HA3 GLY 42 16.599 -2.116 -26.756 302 H THR 43 H THR 43 17.303 -5.396 -25.841 303 HA THR 43 HA THR 43 15.000 -6.297 -27.546 304 HB THR 43 HB THR 43 17.709 -7.691 -27.270 305 HG1 THR 43 HG1 THR 43 17.909 -5.809 -28.489 306 HG21 THR 43 HG21 THR 43 15.874 -9.200 -27.717 307 HG22 THR 43 HG22 THR 43 16.964 -9.035 -29.113 308 HG23 THR 43 HG23 THR 43 15.375 -8.198 -29.094 309 H GLU 44 H GLU 44 13.527 -7.595 -26.383 310 HA GLU 44 HA GLU 44 13.933 -7.955 -23.600 311 HB2 GLU 44 HB2 GLU 44 11.950 -9.334 -25.472 312 HB3 GLU 44 HB3 GLU 44 11.915 -9.374 -23.700 313 HG2 GLU 44 HG2 GLU 44 11.676 -6.922 -23.710 314 HG3 GLU 44 HG3 GLU 44 11.563 -6.869 -25.454 315 H VAL 45 H VAL 45 14.397 -9.627 -22.286 316 HA VAL 45 HA VAL 45 15.586 -12.070 -23.536 317 HB VAL 45 HB VAL 45 16.492 -10.586 -20.997 318 HG11 VAL 45 HG11 VAL 45 17.672 -13.080 -22.301 319 HG12 VAL 45 HG12 VAL 45 18.303 -12.230 -20.857 320 HG13 VAL 45 HG13 VAL 45 16.709 -13.052 -20.768 321 HG21 VAL 45 HG21 VAL 45 18.590 -10.228 -22.180 322 HG22 VAL 45 HG22 VAL 45 17.905 -10.970 -23.630 323 HG23 VAL 45 HG23 VAL 45 17.241 -9.439 -23.021 324 H ALA 46 H ALA 46 14.792 -13.964 -22.763 325 HA ALA 46 HA ALA 46 12.350 -13.978 -21.396 326 HB1 ALA 46 HB1 ALA 46 12.537 -16.432 -21.548 327 HB2 ALA 46 HB2 ALA 46 12.963 -15.596 -23.074 328 HB3 ALA 46 HB3 ALA 46 14.248 -16.243 -22.037 329 H ILE 47 H ILE 47 11.588 -14.805 -19.525 330 HA ILE 47 HA ILE 47 13.598 -14.961 -17.303 331 HB ILE 47 HB ILE 47 10.691 -14.002 -17.223 332 HG12 ILE 47 HG12 ILE 47 12.148 -12.331 -18.297 333 HG13 ILE 47 HG13 ILE 47 11.650 -11.788 -16.703 334 HG21 ILE 47 HG21 ILE 47 11.125 -15.030 -15.121 335 HG22 ILE 47 HG22 ILE 47 12.739 -14.263 -14.997 336 HG23 ILE 47 HG23 ILE 47 11.239 -13.323 -14.869 337 HD11 ILE 47 HD11 ILE 47 13.962 -11.185 -16.916 338 HD12 ILE 47 HD12 ILE 47 13.965 -12.633 -15.895 339 HD13 ILE 47 HD13 ILE 47 14.415 -12.735 -17.592 340 H LYS 48 H LYS 48 13.605 -16.957 -16.232 341 HA LYS 48 HA LYS 48 12.084 -19.119 -17.373 342 HB2 LYS 48 HB2 LYS 48 14.328 -19.348 -16.221 343 HB3 LYS 48 HB3 LYS 48 13.530 -18.995 -14.687 344 HG2 LYS 48 HG2 LYS 48 12.141 -21.001 -14.966 345 HG3 LYS 48 HG3 LYS 48 13.064 -21.406 -16.431 346 HD2 LYS 48 HD2 LYS 48 14.250 -21.013 -13.636 347 HD3 LYS 48 HD3 LYS 48 13.811 -22.583 -14.366 348 HE2 LYS 48 HE2 LYS 48 15.425 -22.134 -16.233 349 HE3 LYS 48 HE3 LYS 48 15.907 -20.643 -15.394 350 HZ1 LYS 48 HZ1 LYS 48 16.556 -22.082 -13.512 351 HZ2 LYS 48 HZ2 LYS 48 17.421 -22.338 -14.869 352 HZ3 LYS 48 HZ3 LYS 48 16.286 -23.409 -14.439 353 H GLY 49 H GLY 49 11.704 -17.091 -14.444 354 HA2 GLY 49 HA2 GLY 49 8.924 -17.323 -14.254 355 HA3 GLY 49 HA3 GLY 49 9.597 -18.604 -13.204 356 H LEU 50 H LEU 50 8.367 -16.981 -11.682 357 HA LEU 50 HA LEU 50 10.500 -15.510 -10.350 358 HB2 LEU 50 HB2 LEU 50 9.340 -13.465 -10.016 359 HB3 LEU 50 HB3 LEU 50 9.470 -13.752 -11.760 360 HG LEU 50 HG LEU 50 6.931 -14.079 -10.104 361 HD11 LEU 50 HD11 LEU 50 7.792 -11.756 -10.129 362 HD12 LEU 50 HD12 LEU 50 6.282 -11.929 -11.111 363 HD13 LEU 50 HD13 LEU 50 7.858 -11.808 -11.932 364 HD21 LEU 50 HD21 LEU 50 5.789 -13.949 -12.276 365 HD22 LEU 50 HD22 LEU 50 6.798 -15.391 -12.103 366 HD23 LEU 50 HD23 LEU 50 7.357 -14.004 -13.092 367 H GLU 51 H GLU 51 10.073 -15.409 -8.029 368 HA GLU 51 HA GLU 51 7.600 -16.635 -7.049 369 HB2 GLU 51 HB2 GLU 51 8.702 -18.544 -6.045 370 HB3 GLU 51 HB3 GLU 51 8.998 -18.542 -7.791 371 HG2 GLU 51 HG2 GLU 51 11.232 -17.531 -7.375 372 HG3 GLU 51 HG3 GLU 51 10.939 -17.665 -5.645 373 H THR 52 H THR 52 7.640 -16.866 -4.656 374 HA THR 52 HA THR 52 9.553 -14.961 -3.342 375 HB THR 52 HB THR 52 7.712 -14.326 -1.783 376 HG1 THR 52 HG1 THR 52 6.402 -16.191 -2.318 377 HG21 THR 52 HG21 THR 52 6.365 -12.955 -3.421 378 HG22 THR 52 HG22 THR 52 7.241 -13.756 -4.734 379 HG23 THR 52 HG23 THR 52 8.127 -12.738 -3.526 380 HA PRO 53 HA PRO 53 9.688 -19.068 -1.331 381 HB2 PRO 53 HB2 PRO 53 12.271 -19.077 -0.443 382 HB3 PRO 53 HB3 PRO 53 11.869 -19.314 -2.185 383 HG2 PRO 53 HG2 PRO 53 12.736 -16.809 -0.764 384 HG3 PRO 53 HG3 PRO 53 13.400 -17.594 -2.233 385 HD2 PRO 53 HD2 PRO 53 11.549 -15.533 -2.362 386 HD3 PRO 53 HD3 PRO 53 11.537 -16.878 -3.545 387 H ASP 54 H ASP 54 10.450 -15.948 0.173 388 HA ASP 54 HA ASP 54 10.666 -16.952 2.885 389 HB2 ASP 54 HB2 ASP 54 10.074 -14.246 1.686 390 HB3 ASP 54 HB3 ASP 54 10.186 -14.517 3.441 391 H ALA 55 H ALA 55 9.220 -16.874 4.592 392 HA ALA 55 HA ALA 55 6.546 -17.671 3.859 393 HB1 ALA 55 HB1 ALA 55 6.088 -17.632 6.251 394 HB2 ALA 55 HB2 ALA 55 7.691 -18.338 5.991 395 HB3 ALA 55 HB3 ALA 55 7.554 -16.670 6.565 396 H ASP 56 H ASP 56 8.032 -14.556 4.877 397 HA ASP 56 HA ASP 56 5.445 -13.260 4.473 398 HB2 ASP 56 HB2 ASP 56 6.945 -12.607 6.430 399 HB3 ASP 56 HB3 ASP 56 8.100 -11.991 5.229 400 H LYS 57 H LYS 57 5.029 -12.314 2.460 401 HA LYS 57 HA LYS 57 6.791 -13.224 0.368 402 HB2 LYS 57 HB2 LYS 57 4.260 -11.565 0.243 403 HB3 LYS 57 HB3 LYS 57 4.975 -12.506 -1.071 404 HG2 LYS 57 HG2 LYS 57 3.799 -13.618 1.520 405 HG3 LYS 57 HG3 LYS 57 3.020 -13.635 -0.074 406 HD2 LYS 57 HD2 LYS 57 4.871 -15.094 -0.890 407 HD3 LYS 57 HD3 LYS 57 5.578 -15.076 0.761 408 HE2 LYS 57 HE2 LYS 57 4.368 -17.139 0.509 409 HE3 LYS 57 HE3 LYS 57 3.554 -16.092 1.697 410 HZ1 LYS 57 HZ1 LYS 57 2.062 -15.392 -0.212 411 HZ2 LYS 57 HZ2 LYS 57 1.851 -16.955 0.284 412 HZ3 LYS 57 HZ3 LYS 57 2.674 -16.614 -1.113 413 H LYS 58 H LYS 58 8.094 -11.189 1.893 414 HA LYS 58 HA LYS 58 8.009 -8.721 0.346 415 HB2 LYS 58 HB2 LYS 58 9.894 -9.675 2.479 416 HB3 LYS 58 HB3 LYS 58 9.944 -8.054 1.749 417 HG2 LYS 58 HG2 LYS 58 7.660 -7.612 2.522 418 HG3 LYS 58 HG3 LYS 58 7.614 -9.238 3.283 419 HD2 LYS 58 HD2 LYS 58 9.566 -8.621 4.686 420 HD3 LYS 58 HD3 LYS 58 9.579 -7.000 3.945 421 HE2 LYS 58 HE2 LYS 58 7.284 -6.616 4.764 422 HE3 LYS 58 HE3 LYS 58 7.258 -8.216 5.515 423 HZ1 LYS 58 HZ1 LYS 58 9.069 -7.580 6.916 424 HZ2 LYS 58 HZ2 LYS 58 7.863 -6.443 7.065 425 HZ3 LYS 58 HZ3 LYS 58 9.208 -6.110 6.178 426 H THR 59 H THR 59 10.034 -11.525 0.099 427 HA THR 59 HA THR 59 11.867 -9.985 -1.693 428 HB THR 59 HB THR 59 12.334 -12.658 -0.427 429 HG1 THR 59 HG1 THR 59 13.541 -11.564 1.046 430 HG21 THR 59 HG21 THR 59 14.750 -12.128 -1.063 431 HG22 THR 59 HG22 THR 59 14.083 -10.833 -2.090 432 HG23 THR 59 HG23 THR 59 13.641 -12.523 -2.362 433 H LEU 60 H LEU 60 11.627 -10.104 -3.744 434 HA LEU 60 HA LEU 60 10.097 -12.393 -4.884 435 HB2 LEU 60 HB2 LEU 60 9.142 -10.136 -5.104 436 HB3 LEU 60 HB3 LEU 60 10.586 -9.605 -5.977 437 HG LEU 60 HG LEU 60 8.607 -9.874 -7.404 438 HD11 LEU 60 HD11 LEU 60 10.949 -10.194 -8.192 439 HD12 LEU 60 HD12 LEU 60 9.664 -10.844 -9.239 440 HD13 LEU 60 HD13 LEU 60 10.627 -11.937 -8.226 441 HD21 LEU 60 HD21 LEU 60 7.758 -12.098 -7.922 442 HD22 LEU 60 HD22 LEU 60 7.555 -11.781 -6.189 443 HD23 LEU 60 HD23 LEU 60 8.864 -12.848 -6.788 444 H VAL 61 H VAL 61 11.166 -13.815 -6.216 445 HA VAL 61 HA VAL 61 14.023 -13.219 -6.877 446 HB VAL 61 HB VAL 61 12.425 -15.839 -6.975 447 HG11 VAL 61 HG11 VAL 61 14.320 -15.872 -8.553 448 HG12 VAL 61 HG12 VAL 61 15.415 -15.431 -7.269 449 HG13 VAL 61 HG13 VAL 61 14.556 -16.974 -7.230 450 HG21 VAL 61 HG21 VAL 61 13.729 -16.466 -4.939 451 HG22 VAL 61 HG22 VAL 61 14.464 -14.886 -4.869 452 HG23 VAL 61 HG23 VAL 61 12.732 -15.035 -4.635 453 H VAL 62 H VAL 62 14.674 -12.926 -8.989 454 HA VAL 62 HA VAL 62 12.717 -13.662 -11.171 455 HB VAL 62 HB VAL 62 14.739 -11.378 -11.166 456 HG11 VAL 62 HG11 VAL 62 14.420 -12.505 -13.388 457 HG12 VAL 62 HG12 VAL 62 12.666 -12.132 -13.265 458 HG13 VAL 62 HG13 VAL 62 13.855 -10.800 -13.354 459 HG21 VAL 62 HG21 VAL 62 11.700 -11.359 -11.052 460 HG22 VAL 62 HG22 VAL 62 12.791 -10.824 -9.786 461 HG23 VAL 62 HG23 VAL 62 12.694 -9.941 -11.308 462 H THR 63 H THR 63 13.518 -15.213 -12.538 463 HA THR 63 HA THR 63 16.462 -15.689 -12.374 464 HB THR 63 HB THR 63 14.272 -17.760 -12.869 465 HG1 THR 63 HG1 THR 63 15.908 -17.397 -10.569 466 HG21 THR 63 HG21 THR 63 16.141 -19.354 -12.336 467 HG22 THR 63 HG22 THR 63 17.271 -17.976 -12.471 468 HG23 THR 63 HG23 THR 63 16.294 -18.468 -13.909 469 HA PRO 64 HA PRO 64 16.049 -14.740 -16.730 470 HB2 PRO 64 HB2 PRO 64 18.663 -14.787 -17.475 471 HB3 PRO 64 HB3 PRO 64 17.995 -13.502 -16.429 472 HG2 PRO 64 HG2 PRO 64 19.484 -15.967 -15.572 473 HG3 PRO 64 HG3 PRO 64 19.808 -14.260 -15.148 474 HD2 PRO 64 HD2 PRO 64 18.360 -15.873 -13.491 475 HD3 PRO 64 HD3 PRO 64 17.961 -14.117 -13.701 476 H ALA 65 H ALA 65 16.088 -15.958 -18.651 477 HA ALA 65 HA ALA 65 16.121 -18.868 -18.307 478 HB1 ALA 65 HB1 ALA 65 15.323 -18.982 -20.567 479 HB2 ALA 65 HB2 ALA 65 14.422 -17.722 -19.683 480 HB3 ALA 65 HB3 ALA 65 15.717 -17.275 -20.810 481 H ALA 66 H ALA 66 18.473 -16.603 -19.202 482 HA ALA 66 HA ALA 66 20.273 -18.753 -20.181 483 HB1 ALA 66 HB1 ALA 66 21.001 -17.038 -22.085 484 HB2 ALA 66 HB2 ALA 66 19.553 -18.058 -22.351 485 HB3 ALA 66 HB3 ALA 66 19.348 -16.348 -21.847 486 HA PRO 67 HA PRO 67 23.066 -16.376 -17.782 487 HB2 PRO 67 HB2 PRO 67 25.478 -16.767 -18.956 488 HB3 PRO 67 HB3 PRO 67 24.663 -18.040 -18.055 489 HG2 PRO 67 HG2 PRO 67 24.649 -17.525 -21.032 490 HG3 PRO 67 HG3 PRO 67 25.048 -19.034 -20.184 491 HD2 PRO 67 HD2 PRO 67 22.587 -18.686 -21.192 492 HD3 PRO 67 HD3 PRO 67 22.798 -19.398 -19.541 493 H LEU 68 H LEU 68 24.066 -14.282 -17.799 494 HA LEU 68 HA LEU 68 23.289 -12.748 -20.167 495 HB2 LEU 68 HB2 LEU 68 24.282 -11.719 -17.532 496 HB3 LEU 68 HB3 LEU 68 23.576 -10.772 -18.800 497 HG LEU 68 HG LEU 68 22.124 -12.800 -17.101 498 HD11 LEU 68 HD11 LEU 68 21.893 -9.784 -17.143 499 HD12 LEU 68 HD12 LEU 68 22.754 -10.738 -15.891 500 HD13 LEU 68 HD13 LEU 68 20.993 -10.929 -16.112 501 HD21 LEU 68 HD21 LEU 68 21.047 -12.769 -19.242 502 HD22 LEU 68 HD22 LEU 68 21.111 -11.016 -19.322 503 HD23 LEU 68 HD23 LEU 68 20.039 -11.830 -18.138 504 H ALA 69 H ALA 69 24.613 -11.873 -21.630 505 HA ALA 69 HA ALA 69 27.503 -12.343 -21.394 506 HB1 ALA 69 HB1 ALA 69 26.281 -12.496 -23.573 507 HB2 ALA 69 HB2 ALA 69 25.860 -10.803 -23.477 508 HB3 ALA 69 HB3 ALA 69 27.560 -11.278 -23.641 509 H ALA 70 H ALA 70 29.020 -10.352 -21.698 510 HA ALA 70 HA ALA 70 28.420 -8.347 -19.752 511 HB1 ALA 70 HB1 ALA 70 30.407 -8.273 -22.049 512 HB2 ALA 70 HB2 ALA 70 30.437 -7.226 -20.609 513 HB3 ALA 70 HB3 ALA 70 30.734 -8.962 -20.454 514 H GLY 71 H GLY 71 27.632 -6.213 -20.021 515 HA2 GLY 71 HA2 GLY 71 27.254 -4.533 -22.025 516 HA3 GLY 71 HA3 GLY 71 26.031 -5.723 -22.470 517 H ASN 72 H ASN 72 24.906 -3.370 -22.071 518 HA ASN 72 HA ASN 72 24.170 -3.090 -19.163 519 HB2 ASN 72 HB2 ASN 72 25.013 -1.163 -20.428 520 HB3 ASN 72 HB3 ASN 72 23.570 -1.189 -21.436 521 HD21 ASN 72 HD21 ASN 72 24.982 0.266 -18.907 522 HD22 ASN 72 HD22 ASN 72 23.571 0.763 -17.998 523 H TYR 73 H TYR 73 22.249 -3.484 -18.355 524 HA TYR 73 HA TYR 73 20.107 -4.419 -20.246 525 HB2 TYR 73 HB2 TYR 73 20.851 -5.421 -17.433 526 HB3 TYR 73 HB3 TYR 73 19.447 -5.943 -18.353 527 HD1 TYR 73 HD1 TYR 73 23.189 -5.989 -18.431 528 HD2 TYR 73 HD2 TYR 73 19.558 -7.685 -19.993 529 HE1 TYR 73 HE1 TYR 73 24.516 -7.722 -19.667 530 HE2 TYR 73 HE2 TYR 73 20.935 -9.498 -21.119 531 HH TYR 73 HH TYR 73 24.445 -9.541 -20.906 532 H LYS 74 H LYS 74 17.963 -4.006 -19.659 533 HA LYS 74 HA LYS 74 17.542 -1.966 -17.494 534 HB2 LYS 74 HB2 LYS 74 17.193 -1.028 -19.814 535 HB3 LYS 74 HB3 LYS 74 16.102 -2.396 -20.124 536 HG2 LYS 74 HG2 LYS 74 14.723 -0.514 -19.753 537 HG3 LYS 74 HG3 LYS 74 14.593 -1.597 -18.350 538 HD2 LYS 74 HD2 LYS 74 14.552 0.575 -17.443 539 HD3 LYS 74 HD3 LYS 74 16.192 -0.007 -17.093 540 HE2 LYS 74 HE2 LYS 74 17.036 1.322 -19.023 541 HE3 LYS 74 HE3 LYS 74 15.380 1.860 -19.382 542 HZ1 LYS 74 HZ1 LYS 74 15.296 2.965 -17.321 543 HZ2 LYS 74 HZ2 LYS 74 16.561 3.508 -18.179 544 HZ3 LYS 74 HZ3 LYS 74 16.798 2.503 -16.930 545 H VAL 75 H VAL 75 16.076 -2.504 -15.954 546 HA VAL 75 HA VAL 75 14.418 -4.953 -16.418 547 HB VAL 75 HB VAL 75 15.519 -3.856 -13.789 548 HG11 VAL 75 HG11 VAL 75 14.483 -6.066 -12.881 549 HG12 VAL 75 HG12 VAL 75 13.348 -4.762 -13.311 550 HG13 VAL 75 HG13 VAL 75 13.582 -6.124 -14.441 551 HG21 VAL 75 HG21 VAL 75 16.792 -5.942 -13.669 552 HG22 VAL 75 HG22 VAL 75 16.149 -6.450 -15.238 553 HG23 VAL 75 HG23 VAL 75 17.218 -5.057 -15.130 554 H VAL 76 H VAL 76 12.270 -4.537 -16.448 555 HA VAL 76 HA VAL 76 11.318 -1.962 -15.173 556 HB VAL 76 HB VAL 76 10.180 -3.391 -17.658 557 HG11 VAL 76 HG11 VAL 76 8.615 -1.546 -17.798 558 HG12 VAL 76 HG12 VAL 76 8.499 -2.379 -16.224 559 HG13 VAL 76 HG13 VAL 76 9.304 -0.802 -16.331 560 HG21 VAL 76 HG21 VAL 76 10.913 -1.387 -18.908 561 HG22 VAL 76 HG22 VAL 76 11.579 -0.631 -17.452 562 HG23 VAL 76 HG23 VAL 76 12.335 -2.117 -18.112 563 H TRP 77 H TRP 77 9.639 -2.269 -13.642 564 HA TRP 77 HA TRP 77 8.397 -4.931 -13.588 565 HB2 TRP 77 HB2 TRP 77 8.935 -5.282 -11.181 566 HB3 TRP 77 HB3 TRP 77 10.366 -5.274 -12.181 567 HD1 TRP 77 HD1 TRP 77 12.090 -3.175 -11.844 568 HE1 TRP 77 HE1 TRP 77 12.416 -1.367 -10.102 569 HE3 TRP 77 HE3 TRP 77 7.782 -3.955 -9.285 570 HZ2 TRP 77 HZ2 TRP 77 10.859 -0.267 -7.991 571 HZ3 TRP 77 HZ3 TRP 77 7.271 -2.495 -7.317 572 HH2 TRP 77 HH2 TRP 77 8.741 -0.580 -6.772 573 H ASN 78 H ASN 78 6.614 -5.185 -12.349 574 HA ASN 78 HA ASN 78 5.314 -2.780 -11.254 575 HB2 ASN 78 HB2 ASN 78 4.613 -2.994 -13.641 576 HB3 ASN 78 HB3 ASN 78 3.919 -4.572 -13.259 577 HD21 ASN 78 HD21 ASN 78 2.881 -1.704 -13.937 578 HD22 ASN 78 HD22 ASN 78 1.603 -1.468 -12.767 579 H ALA 79 H ALA 79 4.620 -3.427 -9.239 580 HA ALA 79 HA ALA 79 4.268 -6.355 -8.827 581 HB1 ALA 79 HB1 ALA 79 6.377 -5.780 -7.870 582 HB2 ALA 79 HB2 ALA 79 5.660 -4.387 -7.030 583 HB3 ALA 79 HB3 ALA 79 5.232 -6.037 -6.549 584 H VAL 80 H VAL 80 2.648 -7.025 -7.461 585 HA VAL 80 HA VAL 80 0.718 -4.924 -6.692 586 HB VAL 80 HB VAL 80 0.245 -7.892 -7.273 587 HG11 VAL 80 HG11 VAL 80 -1.362 -7.142 -5.620 588 HG12 VAL 80 HG12 VAL 80 -1.766 -5.731 -6.660 589 HG13 VAL 80 HG13 VAL 80 -2.132 -7.409 -7.176 590 HG21 VAL 80 HG21 VAL 80 -0.596 -5.494 -8.913 591 HG22 VAL 80 HG22 VAL 80 0.764 -6.554 -9.338 592 HG23 VAL 80 HG23 VAL 80 -0.931 -7.190 -9.327 593 H SER 81 H SER 81 0.507 -4.659 -4.511 594 HA SER 81 HA SER 81 2.079 -6.354 -2.791 595 HB2 SER 81 HB2 SER 81 1.332 -4.935 -1.012 596 HB3 SER 81 HB3 SER 81 1.847 -3.928 -2.353 597 HG SER 81 HG SER 81 -0.085 -3.191 -1.609 598 H VAL 82 H VAL 82 1.072 -7.436 -0.797 599 HA VAL 82 HA VAL 82 -1.162 -9.066 -1.674 600 HB VAL 82 HB VAL 82 -1.183 -10.038 0.594 601 HG11 VAL 82 HG11 VAL 82 1.166 -10.860 0.688 602 HG12 VAL 82 HG12 VAL 82 0.429 -11.031 -0.911 603 HG13 VAL 82 HG13 VAL 82 1.613 -9.696 -0.619 604 HG21 VAL 82 HG21 VAL 82 0.301 -9.225 2.311 605 HG22 VAL 82 HG22 VAL 82 1.066 -8.018 1.203 606 HG23 VAL 82 HG23 VAL 82 -0.650 -7.837 1.758 607 H ASP 83 H ASP 83 -0.915 -5.949 -0.471 608 HA ASP 83 HA ASP 83 -3.618 -5.897 0.714 609 HB2 ASP 83 HB2 ASP 83 -1.488 -4.640 1.583 610 HB3 ASP 83 HB3 ASP 83 -1.739 -3.556 0.191 611 H THR 84 H THR 84 -2.709 -6.332 -2.243 612 HA THR 84 HA THR 84 -3.345 -5.945 -4.302 613 HB THR 84 HB THR 84 -5.576 -5.140 -4.875 614 HG1 THR 84 HG1 THR 84 -5.347 -3.998 -2.286 615 HG21 THR 84 HG21 THR 84 -5.815 -6.701 -2.266 616 HG22 THR 84 HG22 THR 84 -5.239 -7.440 -3.782 617 HG23 THR 84 HG23 THR 84 -6.884 -6.754 -3.684 618 H HIS 85 H HIS 85 -2.487 -3.210 -2.615 619 HA HIS 85 HA HIS 85 -2.887 -1.159 -4.626 620 HB2 HIS 85 HB2 HIS 85 -2.290 -0.827 -2.164 621 HB3 HIS 85 HB3 HIS 85 -0.644 -1.443 -2.515 622 HD1 HIS 85 HD1 HIS 85 -2.788 1.607 -2.910 623 HD2 HIS 85 HD2 HIS 85 1.039 0.296 -3.946 624 HE1 HIS 85 HE1 HIS 85 -1.484 3.637 -3.662 625 H LYS 86 H LYS 86 -1.531 -0.524 -6.390 626 HA LYS 86 HA LYS 86 0.719 -2.354 -7.006 627 HB2 LYS 86 HB2 LYS 86 -0.773 -0.452 -8.840 628 HB3 LYS 86 HB3 LYS 86 0.606 -1.483 -9.236 629 HG2 LYS 86 HG2 LYS 86 -0.655 -3.491 -8.785 630 HG3 LYS 86 HG3 LYS 86 -2.129 -2.541 -8.464 631 HD2 LYS 86 HD2 LYS 86 -1.872 -1.614 -10.795 632 HD3 LYS 86 HD3 LYS 86 -0.445 -2.665 -11.028 633 HE2 LYS 86 HE2 LYS 86 -1.866 -4.654 -10.675 634 HE3 LYS 86 HE3 LYS 86 -3.305 -3.586 -10.537 635 HZ1 LYS 86 HZ1 LYS 86 -2.980 -4.471 -12.783 636 HZ2 LYS 86 HZ2 LYS 86 -1.582 -3.674 -12.917 637 HZ3 LYS 86 HZ3 LYS 86 -2.987 -2.850 -12.758 638 H SER 87 H SER 87 2.719 -1.735 -7.682 639 HA SER 87 HA SER 87 3.394 1.203 -7.692 640 HB2 SER 87 HB2 SER 87 4.839 -0.964 -6.145 641 HB3 SER 87 HB3 SER 87 5.420 0.725 -6.370 642 HG SER 87 HG SER 87 4.374 0.277 -4.354 643 H ASN 88 H ASN 88 5.340 1.549 -9.013 644 HA ASN 88 HA ASN 88 6.322 -0.813 -10.489 645 HB2 ASN 88 HB2 ASN 88 5.992 0.155 -12.700 646 HB3 ASN 88 HB3 ASN 88 4.439 0.008 -11.881 647 HD21 ASN 88 HD21 ASN 88 3.813 2.092 -10.623 648 HD22 ASN 88 HD22 ASN 88 4.111 3.600 -11.434 649 H GLY 89 H GLY 89 8.297 -0.277 -11.793 650 HA2 GLY 89 HA2 GLY 89 9.546 2.291 -11.586 651 HA3 GLY 89 HA3 GLY 89 10.195 1.215 -10.358 652 H GLU 90 H GLU 90 12.071 1.958 -12.095 653 HA GLU 90 HA GLU 90 12.582 -0.520 -13.578 654 HB2 GLU 90 HB2 GLU 90 13.007 0.536 -15.683 655 HB3 GLU 90 HB3 GLU 90 11.371 0.932 -15.188 656 HG2 GLU 90 HG2 GLU 90 12.087 3.201 -14.541 657 HG3 GLU 90 HG3 GLU 90 13.721 2.786 -15.082 658 H TYR 91 H TYR 91 14.898 -0.790 -13.957 659 HA TYR 91 HA TYR 91 16.685 1.396 -13.150 660 HB2 TYR 91 HB2 TYR 91 17.934 0.008 -11.518 661 HB3 TYR 91 HB3 TYR 91 16.289 0.247 -10.964 662 HD1 TYR 91 HD1 TYR 91 14.738 -1.612 -10.811 663 HD2 TYR 91 HD2 TYR 91 18.755 -2.179 -12.154 664 HE1 TYR 91 HE1 TYR 91 14.559 -4.108 -10.374 665 HE2 TYR 91 HE2 TYR 91 18.562 -4.641 -11.710 666 HH TYR 91 HH TYR 91 15.643 -6.112 -10.286 667 H SER 92 H SER 92 18.961 0.865 -13.651 668 HA SER 92 HA SER 92 19.174 -1.236 -15.761 669 HB2 SER 92 HB2 SER 92 20.382 1.563 -15.751 670 HB3 SER 92 HB3 SER 92 20.681 0.320 -16.978 671 HG SER 92 HG SER 92 19.021 2.018 -17.324 672 H PHE 93 H PHE 93 21.291 -2.149 -16.034 673 HA PHE 93 HA PHE 93 23.356 -1.466 -14.080 674 HB2 PHE 93 HB2 PHE 93 23.466 -3.562 -12.914 675 HB3 PHE 93 HB3 PHE 93 21.808 -2.930 -12.738 676 HD1 PHE 93 HD1 PHE 93 23.942 -5.576 -14.154 677 HD2 PHE 93 HD2 PHE 93 19.911 -4.099 -13.942 678 HE1 PHE 93 HE1 PHE 93 23.086 -7.786 -14.986 679 HE2 PHE 93 HE2 PHE 93 19.057 -6.239 -14.844 680 HZ PHE 93 HZ PHE 93 20.659 -8.080 -15.374 681 H LYS 94 H LYS 94 25.372 -2.826 -14.488 682 HA LYS 94 HA LYS 94 25.273 -3.734 -17.317 683 HB2 LYS 94 HB2 LYS 94 26.290 -1.493 -16.961 684 HB3 LYS 94 HB3 LYS 94 27.540 -2.288 -15.944 685 HG2 LYS 94 HG2 LYS 94 28.263 -3.565 -17.912 686 HG3 LYS 94 HG3 LYS 94 26.986 -2.778 -18.907 687 HD2 LYS 94 HD2 LYS 94 27.934 -0.565 -18.311 688 HD3 LYS 94 HD3 LYS 94 29.264 -1.391 -17.433 689 HE2 LYS 94 HE2 LYS 94 29.908 -2.493 -19.652 690 HE3 LYS 94 HE3 LYS 94 28.630 -1.546 -20.465 691 HZ1 LYS 94 HZ1 LYS 94 29.731 0.437 -19.855 692 HZ2 LYS 94 HZ2 LYS 94 30.873 -0.563 -20.540 693 HZ3 LYS 94 HZ3 LYS 94 30.837 -0.388 -18.894 694 H VAL 95 H VAL 95 26.117 -5.711 -17.761 695 HA VAL 95 HA VAL 95 27.303 -7.270 -15.548 696 HB VAL 95 HB VAL 95 26.584 -8.086 -18.387 697 HG11 VAL 95 HG11 VAL 95 26.843 -10.390 -17.566 698 HG12 VAL 95 HG12 VAL 95 28.373 -9.498 -17.606 699 HG13 VAL 95 HG13 VAL 95 27.541 -9.746 -16.049 700 HG21 VAL 95 HG21 VAL 95 25.289 -8.647 -15.655 701 HG22 VAL 95 HG22 VAL 95 24.597 -7.517 -16.925 702 HG23 VAL 95 HG23 VAL 95 24.717 -9.271 -17.252 703 H GLY 96 H GLY 96 29.468 -7.665 -15.364 704 HA2 GLY 96 HA2 GLY 96 31.265 -7.783 -17.537 705 HA3 GLY 96 HA3 GLY 96 31.413 -6.190 -16.681 706 H GLN 97 H GLN 97 31.907 -9.653 -16.546 707 HA GLN 97 HA GLN 97 32.412 -10.014 -13.735 708 HB2 GLN 97 HB2 GLN 97 31.974 -11.782 -15.508 709 HB3 GLN 97 HB3 GLN 97 33.627 -11.493 -16.077 710 HG2 GLN 97 HG2 GLN 97 34.465 -12.228 -13.892 711 HG3 GLN 97 HG3 GLN 97 32.807 -12.502 -13.313 712 HE21 GLN 97 HE21 GLN 97 32.321 -14.623 -13.287 713 HE22 GLN 97 HE22 GLN 97 32.764 -15.745 -14.478 Start of MODEL 15 1 H1 HIS 1 H1 HIS 1 2.768 2.530 -1.018 2 H2 HIS 1 H2 HIS 1 1.151 2.314 -1.388 3 H3 HIS 1 H3 HIS 1 1.926 1.223 -0.373 4 HA HIS 1 HA HIS 1 1.675 0.241 -2.594 5 HB2 HIS 1 HB2 HIS 1 3.209 2.737 -3.405 6 HB3 HIS 1 HB3 HIS 1 3.020 1.353 -4.451 7 HD1 HIS 1 HD1 HIS 1 1.088 4.297 -2.952 8 HD2 HIS 1 HD2 HIS 1 0.513 1.114 -5.629 9 HE1 HIS 1 HE1 HIS 1 -1.014 4.738 -4.218 10 H ALA 2 H ALA 2 3.354 -1.108 -3.518 11 HA ALA 2 HA ALA 2 5.477 -1.706 -1.618 12 HB1 ALA 2 HB1 ALA 2 4.765 -2.826 -4.374 13 HB2 ALA 2 HB2 ALA 2 6.026 -3.478 -3.316 14 HB3 ALA 2 HB3 ALA 2 4.333 -3.504 -2.783 15 H HIS 3 H HIS 3 7.303 -0.615 -1.453 16 HA HIS 3 HA HIS 3 8.657 0.192 -3.979 17 HB2 HIS 3 HB2 HIS 3 8.745 1.685 -1.324 18 HB3 HIS 3 HB3 HIS 3 9.657 2.111 -2.770 19 HD1 HIS 3 HD1 HIS 3 7.913 2.528 -4.996 20 HD2 HIS 3 HD2 HIS 3 6.385 2.931 -1.122 21 HE1 HIS 3 HE1 HIS 3 5.835 3.994 -5.124 22 H LEU 4 H LEU 4 10.866 -0.061 -4.117 23 HA LEU 4 HA LEU 4 11.929 -2.357 -2.804 24 HB2 LEU 4 HB2 LEU 4 12.356 -1.543 -5.127 25 HB3 LEU 4 HB3 LEU 4 13.207 -0.209 -4.460 26 HG LEU 4 HG LEU 4 14.949 -1.835 -3.640 27 HD11 LEU 4 HD11 LEU 4 13.573 -3.818 -3.493 28 HD12 LEU 4 HD12 LEU 4 14.889 -4.103 -4.635 29 HD13 LEU 4 HD13 LEU 4 13.271 -3.754 -5.259 30 HD21 LEU 4 HD21 LEU 4 14.273 -1.908 -6.594 31 HD22 LEU 4 HD22 LEU 4 15.874 -2.224 -5.862 32 HD23 LEU 4 HD23 LEU 4 15.193 -0.607 -5.746 33 H LYS 5 H LYS 5 13.390 -2.544 -1.045 34 HA LYS 5 HA LYS 5 14.437 0.031 0.035 35 HB2 LYS 5 HB2 LYS 5 14.363 -2.713 1.382 36 HB3 LYS 5 HB3 LYS 5 15.071 -1.239 2.087 37 HG2 LYS 5 HG2 LYS 5 12.722 -0.232 1.943 38 HG3 LYS 5 HG3 LYS 5 12.114 -1.868 1.548 39 HD2 LYS 5 HD2 LYS 5 13.831 -1.247 3.989 40 HD3 LYS 5 HD3 LYS 5 12.056 -1.371 4.013 41 HE2 LYS 5 HE2 LYS 5 12.211 -3.741 3.260 42 HE3 LYS 5 HE3 LYS 5 13.980 -3.625 3.295 43 HZ1 LYS 5 HZ1 LYS 5 13.760 -2.961 5.657 44 HZ2 LYS 5 HZ2 LYS 5 13.335 -4.545 5.333 45 HZ3 LYS 5 HZ3 LYS 5 12.143 -3.382 5.593 46 H SER 6 H SER 6 15.412 -3.267 -0.948 47 HA SER 6 HA SER 6 18.222 -2.406 -1.167 48 HB2 SER 6 HB2 SER 6 17.278 -4.835 0.393 49 HB3 SER 6 HB3 SER 6 18.970 -4.450 0.024 50 HG SER 6 HG SER 6 18.730 -2.564 1.307 51 H ALA 7 H ALA 7 19.449 -4.015 -2.549 52 HA ALA 7 HA ALA 7 17.807 -5.917 -3.982 53 HB1 ALA 7 HB1 ALA 7 18.903 -3.505 -5.470 54 HB2 ALA 7 HB2 ALA 7 17.972 -4.823 -6.194 55 HB3 ALA 7 HB3 ALA 7 17.234 -3.760 -5.038 56 H THR 8 H THR 8 18.723 -7.006 -5.759 57 HA THR 8 HA THR 8 21.553 -7.783 -5.410 58 HB THR 8 HB THR 8 19.291 -8.859 -7.189 59 HG1 THR 8 HG1 THR 8 20.311 -9.799 -4.699 60 HG21 THR 8 HG21 THR 8 20.580 -10.938 -7.205 61 HG22 THR 8 HG22 THR 8 21.936 -10.077 -6.546 62 HG23 THR 8 HG23 THR 8 21.308 -9.660 -8.139 63 HA PRO 9 HA PRO 9 23.614 -5.269 -8.445 64 HB2 PRO 9 HB2 PRO 9 22.148 -6.540 -10.761 65 HB3 PRO 9 HB3 PRO 9 23.860 -6.105 -10.486 66 HG2 PRO 9 HG2 PRO 9 22.469 -8.670 -9.531 67 HG3 PRO 9 HG3 PRO 9 24.248 -8.437 -9.659 68 HD2 PRO 9 HD2 PRO 9 23.093 -8.499 -7.214 69 HD3 PRO 9 HD3 PRO 9 24.269 -7.193 -7.545 70 H ALA 10 H ALA 10 22.719 -3.721 -7.336 71 HA ALA 10 HA ALA 10 20.365 -2.304 -7.918 72 HB1 ALA 10 HB1 ALA 10 21.276 -0.606 -6.546 73 HB2 ALA 10 HB2 ALA 10 21.614 -2.209 -5.827 74 HB3 ALA 10 HB3 ALA 10 22.943 -1.272 -6.661 75 H ALA 11 H ALA 11 20.396 0.024 -8.583 76 HA ALA 11 HA ALA 11 21.252 0.190 -11.253 77 HB1 ALA 11 HB1 ALA 11 20.659 2.540 -9.431 78 HB2 ALA 11 HB2 ALA 11 20.502 2.487 -11.214 79 HB3 ALA 11 HB3 ALA 11 19.409 1.510 -10.166 80 H ASP 12 H ASP 12 22.746 1.254 -12.320 81 HA ASP 12 HA ASP 12 24.770 1.997 -12.940 82 HB2 ASP 12 HB2 ASP 12 24.032 3.877 -11.338 83 HB3 ASP 12 HB3 ASP 12 25.214 3.209 -10.205 84 H SER 13 H SER 13 24.574 -0.582 -11.138 85 HA SER 13 HA SER 13 27.336 -0.809 -10.147 86 HB2 SER 13 HB2 SER 13 25.080 -2.799 -10.370 87 HB3 SER 13 HB3 SER 13 26.629 -3.076 -9.530 88 HG SER 13 HG SER 13 24.489 -1.340 -8.931 89 H THR 14 H THR 14 28.855 -2.438 -10.901 90 HA THR 14 HA THR 14 28.224 -3.643 -13.565 91 HB THR 14 HB THR 14 31.020 -2.879 -12.627 92 HG1 THR 14 HG1 THR 14 29.129 -1.418 -13.810 93 HG21 THR 14 HG21 THR 14 31.598 -3.469 -15.021 94 HG22 THR 14 HG22 THR 14 29.986 -4.222 -15.132 95 HG23 THR 14 HG23 THR 14 31.176 -4.859 -13.963 96 H VAL 15 H VAL 15 27.824 -5.787 -13.250 97 HA VAL 15 HA VAL 15 29.322 -7.195 -11.084 98 HB VAL 15 HB VAL 15 27.163 -8.380 -10.569 99 HG11 VAL 15 HG11 VAL 15 27.816 -6.358 -9.324 100 HG12 VAL 15 HG12 VAL 15 26.896 -5.311 -10.444 101 HG13 VAL 15 HG13 VAL 15 26.067 -6.517 -9.398 102 HG21 VAL 15 HG21 VAL 15 25.721 -6.366 -12.357 103 HG22 VAL 15 HG22 VAL 15 26.169 -7.981 -12.982 104 HG23 VAL 15 HG23 VAL 15 25.089 -7.828 -11.607 105 H ALA 16 H ALA 16 29.244 -9.586 -11.183 106 HA ALA 16 HA ALA 16 29.662 -10.672 -13.886 107 HB1 ALA 16 HB1 ALA 16 29.864 -12.817 -12.657 108 HB2 ALA 16 HB2 ALA 16 30.846 -11.593 -11.835 109 HB3 ALA 16 HB3 ALA 16 29.226 -12.045 -11.187 110 H ALA 17 H ALA 17 27.998 -12.378 -14.747 111 HA ALA 17 HA ALA 17 25.363 -11.274 -14.433 112 HB1 ALA 17 HB1 ALA 17 24.545 -13.314 -15.601 113 HB2 ALA 17 HB2 ALA 17 25.880 -12.494 -16.461 114 HB3 ALA 17 HB3 ALA 17 26.214 -13.975 -15.549 115 HA PRO 18 HA PRO 18 24.545 -13.237 -10.542 116 HB2 PRO 18 HB2 PRO 18 21.969 -12.518 -10.118 117 HB3 PRO 18 HB3 PRO 18 23.284 -11.318 -10.058 118 HG2 PRO 18 HG2 PRO 18 21.493 -12.045 -12.348 119 HG3 PRO 18 HG3 PRO 18 21.801 -10.408 -11.674 120 HD2 PRO 18 HD2 PRO 18 23.097 -11.263 -13.826 121 HD3 PRO 18 HD3 PRO 18 23.966 -10.311 -12.574 122 H ALA 19 H ALA 19 23.538 -15.164 -9.641 123 HA ALA 19 HA ALA 19 22.642 -17.053 -11.645 124 HB1 ALA 19 HB1 ALA 19 22.278 -18.583 -9.775 125 HB2 ALA 19 HB2 ALA 19 23.787 -17.689 -9.435 126 HB3 ALA 19 HB3 ALA 19 22.267 -17.262 -8.609 127 H ASP 20 H ASP 20 21.093 -14.979 -9.193 128 HA ASP 20 HA ASP 20 18.607 -14.954 -10.766 129 HB2 ASP 20 HB2 ASP 20 17.172 -15.603 -8.901 130 HB3 ASP 20 HB3 ASP 20 18.289 -16.901 -9.273 131 H LEU 21 H LEU 21 17.217 -13.127 -9.997 132 HA LEU 21 HA LEU 21 18.912 -11.037 -8.637 133 HB2 LEU 21 HB2 LEU 21 16.571 -10.622 -10.539 134 HB3 LEU 21 HB3 LEU 21 17.513 -9.375 -9.708 135 HG LEU 21 HG LEU 21 19.493 -9.953 -11.098 136 HD11 LEU 21 HD11 LEU 21 17.481 -11.778 -12.522 137 HD12 LEU 21 HD12 LEU 21 19.084 -12.219 -11.875 138 HD13 LEU 21 HD13 LEU 21 18.965 -11.173 -13.270 139 HD21 LEU 21 HD21 LEU 21 16.966 -9.161 -12.563 140 HD22 LEU 21 HD22 LEU 21 18.632 -8.926 -13.180 141 HD23 LEU 21 HD23 LEU 21 18.092 -8.066 -11.688 142 H ARG 22 H ARG 22 18.106 -10.182 -6.732 143 HA ARG 22 HA ARG 22 15.371 -11.094 -5.966 144 HB2 ARG 22 HB2 ARG 22 17.773 -10.771 -4.207 145 HB3 ARG 22 HB3 ARG 22 16.153 -11.299 -3.679 146 HG2 ARG 22 HG2 ARG 22 16.333 -13.232 -5.237 147 HG3 ARG 22 HG3 ARG 22 18.007 -12.722 -5.589 148 HD2 ARG 22 HD2 ARG 22 18.538 -12.940 -3.205 149 HD3 ARG 22 HD3 ARG 22 16.862 -13.611 -2.926 150 HE ARG 22 HE ARG 22 18.118 -14.983 -5.085 151 HH11 ARG 22 HH11 ARG 22 18.215 -14.850 -1.538 152 HH12 ARG 22 HH12 ARG 22 18.958 -16.439 -1.440 153 HH21 ARG 22 HH21 ARG 22 19.047 -16.931 -4.837 154 HH22 ARG 22 HH22 ARG 22 19.432 -17.606 -3.270 155 H LEU 23 H LEU 23 13.978 -9.616 -5.150 156 HA LEU 23 HA LEU 23 15.098 -6.870 -4.664 157 HB2 LEU 23 HB2 LEU 23 12.388 -7.619 -5.908 158 HB3 LEU 23 HB3 LEU 23 12.884 -5.997 -5.450 159 HG LEU 23 HG LEU 23 14.651 -6.015 -7.207 160 HD11 LEU 23 HD11 LEU 23 13.498 -8.739 -7.851 161 HD12 LEU 23 HD12 LEU 23 15.187 -8.254 -7.723 162 HD13 LEU 23 HD13 LEU 23 14.158 -7.692 -9.113 163 HD21 LEU 23 HD21 LEU 23 12.361 -5.063 -7.439 164 HD22 LEU 23 HD22 LEU 23 11.792 -6.597 -8.126 165 HD23 LEU 23 HD23 LEU 23 13.056 -5.667 -8.981 166 H THR 24 H THR 24 14.422 -5.972 -2.700 167 HA THR 24 HA THR 24 12.513 -7.654 -1.098 168 HB THR 24 HB THR 24 14.879 -5.997 -0.022 169 HG1 THR 24 HG1 THR 24 15.951 -7.818 0.091 170 HG21 THR 24 HG21 THR 24 14.361 -7.152 2.076 171 HG22 THR 24 HG22 THR 24 12.979 -7.948 1.350 172 HG23 THR 24 HG23 THR 24 12.994 -6.187 1.582 173 H PHE 25 H PHE 25 10.689 -6.661 -0.497 174 HA PHE 25 HA PHE 25 10.586 -3.660 -0.749 175 HB2 PHE 25 HB2 PHE 25 8.328 -5.703 -1.095 176 HB3 PHE 25 HB3 PHE 25 8.193 -3.971 -1.293 177 HD1 PHE 25 HD1 PHE 25 9.141 -2.860 -3.267 178 HD2 PHE 25 HD2 PHE 25 9.345 -7.109 -2.701 179 HE1 PHE 25 HE1 PHE 25 9.678 -3.125 -5.691 180 HE2 PHE 25 HE2 PHE 25 9.924 -7.402 -5.133 181 HZ PHE 25 HZ PHE 25 10.020 -5.383 -6.660 182 H SER 26 H SER 26 9.250 -2.528 0.858 183 HA SER 26 HA SER 26 9.509 -3.656 3.504 184 HB2 SER 26 HB2 SER 26 7.848 -1.280 2.636 185 HB3 SER 26 HB3 SER 26 8.355 -1.697 4.278 186 HG SER 26 HG SER 26 9.670 -0.126 2.974 187 H GLU 27 H GLU 27 6.943 -3.540 1.174 188 HA GLU 27 HA GLU 27 4.971 -4.715 3.058 189 HB2 GLU 27 HB2 GLU 27 4.350 -2.577 1.931 190 HB3 GLU 27 HB3 GLU 27 4.630 -3.337 0.361 191 HG2 GLU 27 HG2 GLU 27 2.286 -3.304 0.698 192 HG3 GLU 27 HG3 GLU 27 2.778 -4.987 0.918 193 H GLY 28 H GLY 28 4.144 -6.818 2.453 194 HA2 GLY 28 HA2 GLY 28 5.812 -8.296 0.671 195 HA3 GLY 28 HA3 GLY 28 4.283 -8.862 1.398 196 H VAL 29 H VAL 29 5.294 -9.306 -1.362 197 HA VAL 29 HA VAL 29 3.096 -7.887 -2.837 198 HB VAL 29 HB VAL 29 4.557 -8.029 -4.853 199 HG11 VAL 29 HG11 VAL 29 5.895 -6.605 -2.508 200 HG12 VAL 29 HG12 VAL 29 6.190 -6.227 -4.258 201 HG13 VAL 29 HG13 VAL 29 4.589 -5.992 -3.510 202 HG21 VAL 29 HG21 VAL 29 6.970 -8.612 -4.680 203 HG22 VAL 29 HG22 VAL 29 6.765 -9.056 -2.968 204 HG23 VAL 29 HG23 VAL 29 5.941 -10.009 -4.224 205 H GLU 30 H GLU 30 2.153 -9.144 -4.613 206 HA GLU 30 HA GLU 30 2.266 -12.038 -4.063 207 HB2 GLU 30 HB2 GLU 30 0.214 -10.473 -5.654 208 HB3 GLU 30 HB3 GLU 30 0.178 -12.207 -5.326 209 HG2 GLU 30 HG2 GLU 30 0.095 -11.739 -2.891 210 HG3 GLU 30 HG3 GLU 30 0.012 -9.989 -3.281 211 H ALA 31 H ALA 31 3.301 -13.381 -5.387 212 HA ALA 31 HA ALA 31 4.721 -12.414 -7.667 213 HB1 ALA 31 HB1 ALA 31 5.365 -14.793 -7.973 214 HB2 ALA 31 HB2 ALA 31 5.513 -14.317 -6.271 215 HB3 ALA 31 HB3 ALA 31 4.121 -15.275 -6.813 216 H THR 32 H THR 32 1.586 -13.767 -7.228 217 HA THR 32 HA THR 32 1.168 -14.984 -9.757 218 HB THR 32 HB THR 32 -0.836 -13.494 -7.974 219 HG1 THR 32 HG1 THR 32 -1.015 -15.474 -6.904 220 HG21 THR 32 HG21 THR 32 -1.122 -15.680 -10.058 221 HG22 THR 32 HG22 THR 32 -2.036 -14.168 -9.915 222 HG23 THR 32 HG23 THR 32 -2.297 -15.491 -8.786 223 H PHE 33 H PHE 33 0.779 -11.529 -8.881 224 HA PHE 33 HA PHE 33 -0.121 -11.075 -11.686 225 HB2 PHE 33 HB2 PHE 33 -0.436 -9.262 -9.274 226 HB3 PHE 33 HB3 PHE 33 -1.060 -8.971 -10.905 227 HD1 PHE 33 HD1 PHE 33 -1.781 -10.383 -7.685 228 HD2 PHE 33 HD2 PHE 33 -2.744 -10.703 -11.873 229 HE1 PHE 33 HE1 PHE 33 -3.931 -11.519 -7.130 230 HE2 PHE 33 HE2 PHE 33 -4.822 -11.937 -11.323 231 HZ PHE 33 HZ PHE 33 -5.448 -12.356 -8.943 232 H THR 34 H THR 34 2.647 -10.931 -9.844 233 HA THR 34 HA THR 34 3.610 -8.326 -10.679 234 HB THR 34 HB THR 34 5.133 -10.748 -9.619 235 HG1 THR 34 HG1 THR 34 3.698 -9.890 -8.086 236 HG21 THR 34 HG21 THR 34 6.954 -9.241 -9.028 237 HG22 THR 34 HG22 THR 34 6.083 -7.860 -9.721 238 HG23 THR 34 HG23 THR 34 6.632 -9.181 -10.780 239 H LYS 35 H LYS 35 4.714 -7.814 -12.503 240 HA LYS 35 HA LYS 35 5.556 -9.984 -14.367 241 HB2 LYS 35 HB2 LYS 35 4.398 -7.304 -15.049 242 HB3 LYS 35 HB3 LYS 35 5.382 -8.222 -16.173 243 HG2 LYS 35 HG2 LYS 35 3.143 -8.513 -16.822 244 HG3 LYS 35 HG3 LYS 35 3.643 -10.061 -16.154 245 HD2 LYS 35 HD2 LYS 35 2.481 -9.463 -14.038 246 HD3 LYS 35 HD3 LYS 35 1.963 -7.933 -14.779 247 HE2 LYS 35 HE2 LYS 35 0.839 -9.257 -16.599 248 HE3 LYS 35 HE3 LYS 35 1.383 -10.743 -15.853 249 HZ1 LYS 35 HZ1 LYS 35 -0.229 -8.795 -14.418 250 HZ2 LYS 35 HZ2 LYS 35 0.069 -10.356 -14.035 251 HZ3 LYS 35 HZ3 LYS 35 -0.896 -10.012 -15.326 252 H VAL 36 H VAL 36 7.710 -9.949 -15.116 253 HA VAL 36 HA VAL 36 9.226 -7.481 -14.454 254 HB VAL 36 HB VAL 36 10.186 -10.354 -14.080 255 HG11 VAL 36 HG11 VAL 36 11.622 -7.624 -13.911 256 HG12 VAL 36 HG12 VAL 36 12.241 -9.069 -13.052 257 HG13 VAL 36 HG13 VAL 36 12.086 -9.069 -14.843 258 HG21 VAL 36 HG21 VAL 36 8.682 -9.647 -12.195 259 HG22 VAL 36 HG22 VAL 36 10.384 -9.740 -11.673 260 HG23 VAL 36 HG23 VAL 36 9.642 -8.149 -11.981 261 H SER 37 H SER 37 10.357 -6.755 -16.260 262 HA SER 37 HA SER 37 10.660 -8.644 -18.509 263 HB2 SER 37 HB2 SER 37 9.963 -5.698 -18.659 264 HB3 SER 37 HB3 SER 37 10.329 -6.745 -20.057 265 HG SER 37 HG SER 37 8.126 -6.660 -19.733 266 H LEU 38 H LEU 38 12.620 -8.541 -19.569 267 HA LEU 38 HA LEU 38 14.675 -6.706 -18.409 268 HB2 LEU 38 HB2 LEU 38 14.789 -8.999 -17.418 269 HB3 LEU 38 HB3 LEU 38 14.885 -9.648 -19.036 270 HG LEU 38 HG LEU 38 17.112 -8.625 -19.372 271 HD11 LEU 38 HD11 LEU 38 18.345 -7.717 -17.543 272 HD12 LEU 38 HD12 LEU 38 17.007 -7.916 -16.430 273 HD13 LEU 38 HD13 LEU 38 16.905 -6.745 -17.743 274 HD21 LEU 38 HD21 LEU 38 16.853 -10.363 -16.859 275 HD22 LEU 38 HD22 LEU 38 18.342 -10.115 -17.827 276 HD23 LEU 38 HD23 LEU 38 16.917 -10.914 -18.553 277 H SER 39 H SER 39 15.997 -5.765 -19.939 278 HA SER 39 HA SER 39 15.872 -7.003 -22.633 279 HB2 SER 39 HB2 SER 39 15.483 -4.841 -23.701 280 HB3 SER 39 HB3 SER 39 14.178 -5.178 -22.552 281 HG SER 39 HG SER 39 14.952 -3.037 -22.355 282 H LYS 40 H LYS 40 17.592 -6.485 -23.987 283 HA LYS 40 HA LYS 40 20.030 -5.301 -22.620 284 HB2 LYS 40 HB2 LYS 40 20.080 -7.810 -22.989 285 HB3 LYS 40 HB3 LYS 40 19.889 -7.542 -24.730 286 HG2 LYS 40 HG2 LYS 40 22.014 -6.366 -24.784 287 HG3 LYS 40 HG3 LYS 40 22.220 -6.699 -23.055 288 HD2 LYS 40 HD2 LYS 40 21.974 -9.128 -23.541 289 HD3 LYS 40 HD3 LYS 40 21.882 -8.773 -25.274 290 HE2 LYS 40 HE2 LYS 40 24.217 -8.180 -23.431 291 HE3 LYS 40 HE3 LYS 40 24.072 -9.518 -24.596 292 HZ1 LYS 40 HZ1 LYS 40 25.350 -7.933 -25.622 293 HZ2 LYS 40 HZ2 LYS 40 24.468 -6.639 -25.121 294 HZ3 LYS 40 HZ3 LYS 40 23.883 -7.661 -26.295 295 H ASP 41 H ASP 41 20.237 -3.333 -23.515 296 HA ASP 41 HA ASP 41 20.285 -1.678 -25.041 297 HB2 ASP 41 HB2 ASP 41 20.981 -3.867 -26.988 298 HB3 ASP 41 HB3 ASP 41 21.095 -2.167 -27.321 299 H GLY 42 H GLY 42 17.762 -3.040 -24.519 300 HA2 GLY 42 HA2 GLY 42 15.610 -2.423 -25.206 301 HA3 GLY 42 HA3 GLY 42 16.256 -1.880 -26.746 302 H THR 43 H THR 43 17.302 -5.118 -26.060 303 HA THR 43 HA THR 43 14.959 -6.138 -27.677 304 HB THR 43 HB THR 43 17.824 -7.314 -27.395 305 HG1 THR 43 HG1 THR 43 17.844 -5.440 -28.646 306 HG21 THR 43 HG21 THR 43 17.180 -8.831 -29.168 307 HG22 THR 43 HG22 THR 43 15.568 -8.040 -29.236 308 HG23 THR 43 HG23 THR 43 16.030 -8.977 -27.799 309 H GLU 44 H GLU 44 13.674 -7.549 -26.503 310 HA GLU 44 HA GLU 44 14.089 -7.919 -23.700 311 HB2 GLU 44 HB2 GLU 44 12.169 -9.408 -25.592 312 HB3 GLU 44 HB3 GLU 44 12.184 -9.415 -23.810 313 HG2 GLU 44 HG2 GLU 44 11.806 -6.959 -23.887 314 HG3 GLU 44 HG3 GLU 44 11.685 -7.012 -25.615 315 H VAL 45 H VAL 45 14.625 -9.583 -22.427 316 HA VAL 45 HA VAL 45 15.872 -12.009 -23.733 317 HB VAL 45 HB VAL 45 16.775 -10.513 -21.189 318 HG11 VAL 45 HG11 VAL 45 17.905 -12.998 -22.481 319 HG12 VAL 45 HG12 VAL 45 18.642 -12.094 -21.120 320 HG13 VAL 45 HG13 VAL 45 17.040 -12.892 -20.895 321 HG21 VAL 45 HG21 VAL 45 18.859 -10.063 -22.401 322 HG22 VAL 45 HG22 VAL 45 18.219 -10.863 -23.850 323 HG23 VAL 45 HG23 VAL 45 17.504 -9.315 -23.266 324 H ALA 46 H ALA 46 14.992 -13.900 -23.037 325 HA ALA 46 HA ALA 46 12.569 -13.803 -21.607 326 HB1 ALA 46 HB1 ALA 46 12.974 -15.464 -23.363 327 HB2 ALA 46 HB2 ALA 46 14.353 -16.130 -22.489 328 HB3 ALA 46 HB3 ALA 46 12.713 -16.365 -21.853 329 H ILE 47 H ILE 47 11.832 -14.620 -19.764 330 HA ILE 47 HA ILE 47 13.842 -15.145 -17.634 331 HB ILE 47 HB ILE 47 11.242 -13.561 -17.387 332 HG12 ILE 47 HG12 ILE 47 14.119 -12.661 -17.020 333 HG13 ILE 47 HG13 ILE 47 13.198 -12.417 -18.489 334 HG21 ILE 47 HG21 ILE 47 11.809 -13.249 -15.060 335 HG22 ILE 47 HG22 ILE 47 11.708 -14.983 -15.392 336 HG23 ILE 47 HG23 ILE 47 13.263 -14.202 -15.184 337 HD11 ILE 47 HD11 ILE 47 12.776 -11.211 -15.727 338 HD12 ILE 47 HD12 ILE 47 13.044 -10.378 -17.272 339 HD13 ILE 47 HD13 ILE 47 11.480 -11.169 -16.959 340 H LYS 48 H LYS 48 13.578 -17.111 -16.640 341 HA LYS 48 HA LYS 48 11.655 -18.994 -17.662 342 HB2 LYS 48 HB2 LYS 48 13.945 -19.455 -16.630 343 HB3 LYS 48 HB3 LYS 48 13.246 -19.063 -15.044 344 HG2 LYS 48 HG2 LYS 48 11.648 -20.910 -15.300 345 HG3 LYS 48 HG3 LYS 48 12.416 -21.371 -16.821 346 HD2 LYS 48 HD2 LYS 48 13.803 -21.252 -14.088 347 HD3 LYS 48 HD3 LYS 48 13.127 -22.713 -14.830 348 HE2 LYS 48 HE2 LYS 48 14.671 -22.415 -16.758 349 HE3 LYS 48 HE3 LYS 48 15.406 -21.029 -15.900 350 HZ1 LYS 48 HZ1 LYS 48 16.058 -22.571 -14.160 351 HZ2 LYS 48 HZ2 LYS 48 16.605 -23.129 -15.591 352 HZ3 LYS 48 HZ3 LYS 48 15.316 -23.841 -14.896 353 H GLY 49 H GLY 49 11.657 -16.955 -14.695 354 HA2 GLY 49 HA2 GLY 49 8.847 -16.879 -14.436 355 HA3 GLY 49 HA3 GLY 49 9.411 -18.284 -13.503 356 H LEU 50 H LEU 50 8.412 -16.804 -11.798 357 HA LEU 50 HA LEU 50 10.589 -15.434 -10.433 358 HB2 LEU 50 HB2 LEU 50 9.358 -13.485 -9.860 359 HB3 LEU 50 HB3 LEU 50 9.441 -13.582 -11.605 360 HG LEU 50 HG LEU 50 7.015 -14.326 -9.965 361 HD11 LEU 50 HD11 LEU 50 6.116 -12.164 -10.733 362 HD12 LEU 50 HD12 LEU 50 7.660 -11.800 -11.489 363 HD13 LEU 50 HD13 LEU 50 7.530 -11.957 -9.740 364 HD21 LEU 50 HD21 LEU 50 5.732 -14.057 -12.072 365 HD22 LEU 50 HD22 LEU 50 6.873 -15.419 -12.146 366 HD23 LEU 50 HD23 LEU 50 7.266 -13.864 -12.964 367 H GLU 51 H GLU 51 10.157 -15.423 -8.135 368 HA GLU 51 HA GLU 51 7.781 -16.901 -7.169 369 HB2 GLU 51 HB2 GLU 51 9.039 -18.838 -6.356 370 HB3 GLU 51 HB3 GLU 51 9.295 -18.677 -8.106 371 HG2 GLU 51 HG2 GLU 51 11.440 -17.609 -7.722 372 HG3 GLU 51 HG3 GLU 51 11.221 -17.829 -5.961 373 H THR 52 H THR 52 7.873 -17.272 -4.822 374 HA THR 52 HA THR 52 9.837 -15.547 -3.345 375 HB THR 52 HB THR 52 8.160 -15.167 -1.599 376 HG1 THR 52 HG1 THR 52 6.855 -16.998 -2.185 377 HG21 THR 52 HG21 THR 52 6.778 -13.572 -2.815 378 HG22 THR 52 HG22 THR 52 7.189 -14.322 -4.358 379 HG23 THR 52 HG23 THR 52 8.462 -13.500 -3.366 380 HA PRO 53 HA PRO 53 10.069 -19.908 -2.009 381 HB2 PRO 53 HB2 PRO 53 12.728 -20.101 -1.406 382 HB3 PRO 53 HB3 PRO 53 12.122 -20.132 -3.073 383 HG2 PRO 53 HG2 PRO 53 13.256 -17.819 -1.437 384 HG3 PRO 53 HG3 PRO 53 13.714 -18.420 -3.089 385 HD2 PRO 53 HD2 PRO 53 12.019 -16.327 -2.704 386 HD3 PRO 53 HD3 PRO 53 11.871 -17.425 -4.112 387 H ASP 54 H ASP 54 11.166 -16.936 -0.413 388 HA ASP 54 HA ASP 54 11.681 -17.963 2.206 389 HB2 ASP 54 HB2 ASP 54 12.362 -15.807 1.096 390 HB3 ASP 54 HB3 ASP 54 10.731 -15.187 1.309 391 H ALA 55 H ALA 55 10.200 -18.086 3.999 392 HA ALA 55 HA ALA 55 7.495 -18.803 3.349 393 HB1 ALA 55 HB1 ALA 55 8.757 -18.015 6.030 394 HB2 ALA 55 HB2 ALA 55 7.119 -18.633 5.834 395 HB3 ALA 55 HB3 ALA 55 8.508 -19.653 5.434 396 H ASP 56 H ASP 56 8.985 -15.813 4.411 397 HA ASP 56 HA ASP 56 6.462 -14.362 4.457 398 HB2 ASP 56 HB2 ASP 56 9.343 -13.417 4.564 399 HB3 ASP 56 HB3 ASP 56 7.977 -12.358 4.767 400 H LYS 57 H LYS 57 5.933 -12.568 2.843 401 HA LYS 57 HA LYS 57 7.119 -13.251 0.166 402 HB2 LYS 57 HB2 LYS 57 4.527 -11.817 0.864 403 HB3 LYS 57 HB3 LYS 57 5.064 -12.213 -0.752 404 HG2 LYS 57 HG2 LYS 57 4.911 -14.645 -0.212 405 HG3 LYS 57 HG3 LYS 57 4.292 -14.223 1.387 406 HD2 LYS 57 HD2 LYS 57 2.406 -13.046 0.322 407 HD3 LYS 57 HD3 LYS 57 3.005 -13.555 -1.258 408 HE2 LYS 57 HE2 LYS 57 2.787 -15.941 -0.561 409 HE3 LYS 57 HE3 LYS 57 2.104 -15.385 0.993 410 HZ1 LYS 57 HZ1 LYS 57 0.306 -15.914 -0.492 411 HZ2 LYS 57 HZ2 LYS 57 0.919 -14.998 -1.697 412 HZ3 LYS 57 HZ3 LYS 57 0.325 -14.262 -0.350 413 H LYS 58 H LYS 58 8.464 -11.623 2.086 414 HA LYS 58 HA LYS 58 8.207 -8.834 1.208 415 HB2 LYS 58 HB2 LYS 58 10.160 -10.176 3.085 416 HB3 LYS 58 HB3 LYS 58 10.062 -8.434 2.768 417 HG2 LYS 58 HG2 LYS 58 7.800 -8.327 3.621 418 HG3 LYS 58 HG3 LYS 58 7.800 -10.074 3.906 419 HD2 LYS 58 HD2 LYS 58 9.673 -9.815 5.478 420 HD3 LYS 58 HD3 LYS 58 9.669 -8.058 5.161 421 HE2 LYS 58 HE2 LYS 58 7.355 -7.932 6.028 422 HE3 LYS 58 HE3 LYS 58 7.338 -9.638 6.372 423 HZ1 LYS 58 HZ1 LYS 58 9.155 -9.306 7.893 424 HZ2 LYS 58 HZ2 LYS 58 7.829 -8.401 8.322 425 HZ3 LYS 58 HZ3 LYS 58 9.131 -7.678 7.597 426 H THR 59 H THR 59 9.966 -11.640 0.313 427 HA THR 59 HA THR 59 11.810 -9.985 -1.348 428 HB THR 59 HB THR 59 12.424 -12.686 -0.164 429 HG1 THR 59 HG1 THR 59 12.262 -10.878 1.331 430 HG21 THR 59 HG21 THR 59 14.203 -10.661 -1.591 431 HG22 THR 59 HG22 THR 59 13.699 -12.246 -2.203 432 HG23 THR 59 HG23 THR 59 14.790 -12.150 -0.821 433 H LEU 60 H LEU 60 11.663 -10.186 -3.414 434 HA LEU 60 HA LEU 60 10.149 -12.492 -4.523 435 HB2 LEU 60 HB2 LEU 60 9.186 -10.229 -4.762 436 HB3 LEU 60 HB3 LEU 60 10.634 -9.689 -5.619 437 HG LEU 60 HG LEU 60 8.691 -9.939 -7.041 438 HD11 LEU 60 HD11 LEU 60 10.553 -12.111 -7.906 439 HD12 LEU 60 HD12 LEU 60 11.005 -10.372 -7.927 440 HD13 LEU 60 HD13 LEU 60 9.630 -10.964 -8.901 441 HD21 LEU 60 HD21 LEU 60 8.829 -12.904 -6.385 442 HD22 LEU 60 HD22 LEU 60 7.663 -12.095 -7.500 443 HD23 LEU 60 HD23 LEU 60 7.606 -11.728 -5.778 444 H VAL 61 H VAL 61 11.206 -13.817 -6.037 445 HA VAL 61 HA VAL 61 14.045 -13.062 -6.667 446 HB VAL 61 HB VAL 61 12.829 -15.827 -6.115 447 HG11 VAL 61 HG11 VAL 61 15.253 -16.562 -6.099 448 HG12 VAL 61 HG12 VAL 61 14.569 -16.151 -7.687 449 HG13 VAL 61 HG13 VAL 61 15.636 -15.024 -6.873 450 HG21 VAL 61 HG21 VAL 61 14.288 -15.798 -4.094 451 HG22 VAL 61 HG22 VAL 61 14.731 -14.150 -4.414 452 HG23 VAL 61 HG23 VAL 61 13.050 -14.499 -4.040 453 H VAL 62 H VAL 62 14.712 -13.176 -8.753 454 HA VAL 62 HA VAL 62 12.705 -14.169 -10.756 455 HB VAL 62 HB VAL 62 14.629 -11.785 -10.972 456 HG11 VAL 62 HG11 VAL 62 14.295 -13.025 -13.133 457 HG12 VAL 62 HG12 VAL 62 12.525 -12.692 -12.954 458 HG13 VAL 62 HG13 VAL 62 13.686 -11.335 -13.153 459 HG21 VAL 62 HG21 VAL 62 11.621 -11.843 -10.681 460 HG22 VAL 62 HG22 VAL 62 12.780 -11.174 -9.564 461 HG23 VAL 62 HG23 VAL 62 12.505 -10.422 -11.124 462 H THR 63 H THR 63 13.469 -15.670 -12.240 463 HA THR 63 HA THR 63 16.412 -16.178 -12.165 464 HB THR 63 HB THR 63 14.186 -18.214 -12.690 465 HG1 THR 63 HG1 THR 63 14.220 -18.589 -10.596 466 HG21 THR 63 HG21 THR 63 16.269 -18.841 -13.729 467 HG22 THR 63 HG22 THR 63 16.075 -19.828 -12.268 468 HG23 THR 63 HG23 THR 63 17.184 -18.468 -12.281 469 HA PRO 64 HA PRO 64 15.942 -15.021 -16.468 470 HB2 PRO 64 HB2 PRO 64 18.522 -15.207 -17.249 471 HB3 PRO 64 HB3 PRO 64 18.002 -13.905 -16.164 472 HG2 PRO 64 HG2 PRO 64 19.277 -16.517 -15.437 473 HG3 PRO 64 HG3 PRO 64 19.771 -14.863 -14.966 474 HD2 PRO 64 HD2 PRO 64 18.210 -16.351 -13.307 475 HD3 PRO 64 HD3 PRO 64 17.921 -14.586 -13.506 476 H ALA 65 H ALA 65 15.946 -16.117 -18.525 477 HA ALA 65 HA ALA 65 15.849 -19.045 -18.326 478 HB1 ALA 65 HB1 ALA 65 14.138 -17.799 -19.633 479 HB2 ALA 65 HB2 ALA 65 15.433 -17.260 -20.751 480 HB3 ALA 65 HB3 ALA 65 15.015 -18.991 -20.623 481 H ALA 66 H ALA 66 18.092 -16.663 -19.402 482 HA ALA 66 HA ALA 66 19.971 -18.782 -20.254 483 HB1 ALA 66 HB1 ALA 66 20.574 -17.457 -22.325 484 HB2 ALA 66 HB2 ALA 66 18.867 -17.994 -22.372 485 HB3 ALA 66 HB3 ALA 66 19.226 -16.310 -21.961 486 HA PRO 67 HA PRO 67 22.630 -16.285 -17.867 487 HB2 PRO 67 HB2 PRO 67 25.092 -16.681 -19.053 488 HB3 PRO 67 HB3 PRO 67 24.279 -17.968 -18.158 489 HG2 PRO 67 HG2 PRO 67 24.276 -17.383 -21.103 490 HG3 PRO 67 HG3 PRO 67 24.689 -18.903 -20.295 491 HD2 PRO 67 HD2 PRO 67 22.224 -18.543 -21.301 492 HD3 PRO 67 HD3 PRO 67 22.397 -19.293 -19.668 493 H LEU 68 H LEU 68 23.723 -14.192 -17.932 494 HA LEU 68 HA LEU 68 22.940 -12.677 -20.352 495 HB2 LEU 68 HB2 LEU 68 23.947 -11.729 -17.643 496 HB3 LEU 68 HB3 LEU 68 23.340 -10.689 -18.884 497 HG LEU 68 HG LEU 68 21.703 -12.767 -17.391 498 HD11 LEU 68 HD11 LEU 68 21.736 -9.719 -17.168 499 HD12 LEU 68 HD12 LEU 68 22.325 -10.877 -15.945 500 HD13 LEU 68 HD13 LEU 68 20.610 -10.826 -16.350 501 HD21 LEU 68 HD21 LEU 68 19.744 -11.690 -18.396 502 HD22 LEU 68 HD22 LEU 68 20.809 -12.412 -19.646 503 HD23 LEU 68 HD23 LEU 68 20.822 -10.683 -19.397 504 H ALA 69 H ALA 69 24.335 -11.897 -21.790 505 HA ALA 69 HA ALA 69 27.178 -12.431 -21.550 506 HB1 ALA 69 HB1 ALA 69 27.291 -11.389 -23.786 507 HB2 ALA 69 HB2 ALA 69 25.933 -12.540 -23.732 508 HB3 ALA 69 HB3 ALA 69 25.643 -10.797 -23.600 509 H ALA 70 H ALA 70 28.777 -10.505 -21.806 510 HA ALA 70 HA ALA 70 28.246 -8.473 -19.852 511 HB1 ALA 70 HB1 ALA 70 30.306 -7.394 -20.840 512 HB2 ALA 70 HB2 ALA 70 30.524 -9.121 -20.555 513 HB3 ALA 70 HB3 ALA 70 30.223 -8.556 -22.206 514 H GLY 71 H GLY 71 27.543 -6.308 -20.053 515 HA2 GLY 71 HA2 GLY 71 27.237 -4.600 -22.070 516 HA3 GLY 71 HA3 GLY 71 25.944 -5.774 -22.528 517 H ASN 72 H ASN 72 24.845 -3.530 -22.234 518 HA ASN 72 HA ASN 72 24.228 -2.918 -19.363 519 HB2 ASN 72 HB2 ASN 72 24.971 -1.187 -20.998 520 HB3 ASN 72 HB3 ASN 72 23.445 -1.376 -21.860 521 HD21 ASN 72 HD21 ASN 72 25.041 0.499 -19.779 522 HD22 ASN 72 HD22 ASN 72 23.733 1.172 -18.827 523 H TYR 73 H TYR 73 22.270 -3.252 -18.432 524 HA TYR 73 HA TYR 73 20.060 -4.214 -20.204 525 HB2 TYR 73 HB2 TYR 73 20.869 -5.346 -17.477 526 HB3 TYR 73 HB3 TYR 73 19.447 -5.806 -18.389 527 HD1 TYR 73 HD1 TYR 73 19.489 -7.421 -20.112 528 HD2 TYR 73 HD2 TYR 73 23.148 -5.898 -18.525 529 HE1 TYR 73 HE1 TYR 73 20.700 -9.219 -21.295 530 HE2 TYR 73 HE2 TYR 73 24.405 -7.690 -19.741 531 HH TYR 73 HH TYR 73 24.258 -9.550 -20.998 532 H LYS 74 H LYS 74 17.970 -3.847 -19.563 533 HA LYS 74 HA LYS 74 17.541 -1.882 -17.307 534 HB2 LYS 74 HB2 LYS 74 17.260 -0.855 -19.607 535 HB3 LYS 74 HB3 LYS 74 16.068 -2.088 -19.939 536 HG2 LYS 74 HG2 LYS 74 14.838 -0.147 -19.448 537 HG3 LYS 74 HG3 LYS 74 14.672 -1.230 -18.037 538 HD2 LYS 74 HD2 LYS 74 14.899 0.938 -17.126 539 HD3 LYS 74 HD3 LYS 74 16.492 0.188 -16.888 540 HE2 LYS 74 HE2 LYS 74 17.337 1.413 -18.887 541 HE3 LYS 74 HE3 LYS 74 15.725 2.097 -19.134 542 HZ1 LYS 74 HZ1 LYS 74 15.924 3.283 -17.150 543 HZ2 LYS 74 HZ2 LYS 74 17.249 3.580 -18.023 544 HZ3 LYS 74 HZ3 LYS 74 17.327 2.589 -16.752 545 H VAL 75 H VAL 75 16.054 -2.434 -15.847 546 HA VAL 75 HA VAL 75 14.454 -4.909 -16.402 547 HB VAL 75 HB VAL 75 15.553 -3.901 -13.718 548 HG11 VAL 75 HG11 VAL 75 14.547 -6.070 -12.848 549 HG12 VAL 75 HG12 VAL 75 13.331 -4.912 -13.411 550 HG13 VAL 75 HG13 VAL 75 13.759 -6.319 -14.449 551 HG21 VAL 75 HG21 VAL 75 16.191 -6.519 -15.143 552 HG22 VAL 75 HG22 VAL 75 17.201 -5.041 -15.287 553 HG23 VAL 75 HG23 VAL 75 16.952 -5.810 -13.704 554 H VAL 76 H VAL 76 12.343 -4.588 -16.352 555 HA VAL 76 HA VAL 76 11.277 -2.061 -15.146 556 HB VAL 76 HB VAL 76 10.320 -3.469 -17.676 557 HG11 VAL 76 HG11 VAL 76 9.212 -1.074 -16.144 558 HG12 VAL 76 HG12 VAL 76 8.750 -1.502 -17.809 559 HG13 VAL 76 HG13 VAL 76 8.429 -2.637 -16.472 560 HG21 VAL 76 HG21 VAL 76 12.371 -2.134 -18.056 561 HG22 VAL 76 HG22 VAL 76 10.965 -1.373 -18.788 562 HG23 VAL 76 HG23 VAL 76 11.606 -0.721 -17.246 563 H TRP 77 H TRP 77 9.626 -2.496 -13.633 564 HA TRP 77 HA TRP 77 8.525 -5.207 -13.757 565 HB2 TRP 77 HB2 TRP 77 8.877 -5.590 -11.358 566 HB3 TRP 77 HB3 TRP 77 10.349 -5.527 -12.264 567 HD1 TRP 77 HD1 TRP 77 12.061 -3.577 -11.763 568 HE1 TRP 77 HE1 TRP 77 12.359 -1.809 -9.959 569 HE3 TRP 77 HE3 TRP 77 7.462 -4.012 -9.669 570 HZ2 TRP 77 HZ2 TRP 77 10.708 -0.637 -7.939 571 HZ3 TRP 77 HZ3 TRP 77 6.878 -2.537 -7.706 572 HH2 TRP 77 HH2 TRP 77 8.471 -0.816 -6.930 573 H ASN 78 H ASN 78 6.575 -5.554 -12.879 574 HA ASN 78 HA ASN 78 5.054 -3.224 -11.754 575 HB2 ASN 78 HB2 ASN 78 4.110 -5.471 -13.558 576 HB3 ASN 78 HB3 ASN 78 3.025 -4.258 -12.837 577 HD21 ASN 78 HD21 ASN 78 4.150 -1.918 -13.159 578 HD22 ASN 78 HD22 ASN 78 4.460 -1.552 -14.854 579 H ALA 79 H ALA 79 4.541 -3.736 -9.623 580 HA ALA 79 HA ALA 79 4.301 -6.633 -8.888 581 HB1 ALA 79 HB1 ALA 79 5.840 -4.464 -7.453 582 HB2 ALA 79 HB2 ALA 79 5.440 -6.024 -6.736 583 HB3 ALA 79 HB3 ALA 79 6.504 -5.955 -8.184 584 H VAL 80 H VAL 80 2.637 -7.028 -7.282 585 HA VAL 80 HA VAL 80 1.107 -4.567 -6.543 586 HB VAL 80 HB VAL 80 -0.068 -5.961 -8.332 587 HG11 VAL 80 HG11 VAL 80 0.730 -8.214 -7.640 588 HG12 VAL 80 HG12 VAL 80 -0.173 -8.055 -6.110 589 HG13 VAL 80 HG13 VAL 80 -1.080 -8.168 -7.646 590 HG21 VAL 80 HG21 VAL 80 -2.282 -6.081 -7.247 591 HG22 VAL 80 HG22 VAL 80 -1.512 -5.966 -5.654 592 HG23 VAL 80 HG23 VAL 80 -1.398 -4.596 -6.751 593 H SER 81 H SER 81 0.489 -4.354 -4.532 594 HA SER 81 HA SER 81 1.921 -5.934 -2.582 595 HB2 SER 81 HB2 SER 81 0.944 -4.359 -0.970 596 HB3 SER 81 HB3 SER 81 1.580 -3.468 -2.353 597 HG SER 81 HG SER 81 -0.429 -2.714 -1.874 598 H VAL 82 H VAL 82 0.785 -6.858 -0.665 599 HA VAL 82 HA VAL 82 -1.355 -8.593 -1.604 600 HB VAL 82 HB VAL 82 -1.525 -9.411 0.754 601 HG11 VAL 82 HG11 VAL 82 0.227 -10.438 -0.521 602 HG12 VAL 82 HG12 VAL 82 1.341 -9.092 -0.238 603 HG13 VAL 82 HG13 VAL 82 0.809 -10.157 1.068 604 HG21 VAL 82 HG21 VAL 82 -1.186 -7.218 1.850 605 HG22 VAL 82 HG22 VAL 82 -0.074 -8.405 2.464 606 HG23 VAL 82 HG23 VAL 82 0.509 -7.195 1.348 607 H ASP 83 H ASP 83 -1.242 -5.392 -0.610 608 HA ASP 83 HA ASP 83 -4.021 -5.435 0.435 609 HB2 ASP 83 HB2 ASP 83 -2.108 -4.012 1.373 610 HB3 ASP 83 HB3 ASP 83 -2.261 -3.027 -0.072 611 H THR 84 H THR 84 -3.089 -6.016 -2.427 612 HA THR 84 HA THR 84 -3.836 -5.901 -4.491 613 HB THR 84 HB THR 84 -6.124 -5.143 -5.061 614 HG1 THR 84 HG1 THR 84 -5.758 -3.676 -2.661 615 HG21 THR 84 HG21 THR 84 -5.889 -7.235 -3.724 616 HG22 THR 84 HG22 THR 84 -7.395 -6.392 -3.386 617 HG23 THR 84 HG23 THR 84 -6.071 -6.285 -2.214 618 H HIS 85 H HIS 85 -2.669 -2.974 -3.305 619 HA HIS 85 HA HIS 85 -3.371 -1.413 -5.689 620 HB2 HIS 85 HB2 HIS 85 -1.286 -0.940 -3.453 621 HB3 HIS 85 HB3 HIS 85 -1.614 0.191 -4.797 622 HD1 HIS 85 HD1 HIS 85 -3.460 -1.353 -1.726 623 HD2 HIS 85 HD2 HIS 85 -3.670 1.874 -4.432 624 HE1 HIS 85 HE1 HIS 85 -5.282 0.159 -0.942 625 H LYS 86 H LYS 86 -2.158 -1.217 -7.577 626 HA LYS 86 HA LYS 86 0.191 -2.938 -7.946 627 HB2 LYS 86 HB2 LYS 86 -1.279 -1.025 -9.783 628 HB3 LYS 86 HB3 LYS 86 0.198 -1.880 -10.230 629 HG2 LYS 86 HG2 LYS 86 -1.479 -3.146 -11.199 630 HG3 LYS 86 HG3 LYS 86 -0.930 -4.077 -9.833 631 HD2 LYS 86 HD2 LYS 86 -3.272 -4.312 -9.926 632 HD3 LYS 86 HD3 LYS 86 -2.976 -3.234 -8.567 633 HE2 LYS 86 HE2 LYS 86 -3.517 -1.322 -10.093 634 HE3 LYS 86 HE3 LYS 86 -3.788 -2.481 -11.413 635 HZ1 LYS 86 HZ1 LYS 86 -5.837 -1.744 -10.226 636 HZ2 LYS 86 HZ2 LYS 86 -5.311 -2.601 -8.896 637 HZ3 LYS 86 HZ3 LYS 86 -5.609 -3.373 -10.311 638 H SER 87 H SER 87 2.283 -2.245 -8.565 639 HA SER 87 HA SER 87 2.911 0.643 -8.216 640 HB2 SER 87 HB2 SER 87 3.170 -0.316 -5.919 641 HB3 SER 87 HB3 SER 87 4.186 -1.606 -6.607 642 HG SER 87 HG SER 87 5.584 -0.046 -5.849 643 H ASN 88 H ASN 88 4.955 1.166 -9.293 644 HA ASN 88 HA ASN 88 6.153 -1.057 -10.824 645 HB2 ASN 88 HB2 ASN 88 6.134 0.161 -12.876 646 HB3 ASN 88 HB3 ASN 88 4.482 -0.021 -12.290 647 HD21 ASN 88 HD21 ASN 88 6.476 2.059 -13.777 648 HD22 ASN 88 HD22 ASN 88 5.821 3.569 -13.208 649 H GLY 89 H GLY 89 8.215 -0.410 -11.927 650 HA2 GLY 89 HA2 GLY 89 9.476 2.075 -11.410 651 HA3 GLY 89 HA3 GLY 89 10.054 0.927 -10.208 652 H GLU 90 H GLU 90 11.992 1.772 -11.806 653 HA GLU 90 HA GLU 90 12.625 -0.571 -13.437 654 HB2 GLU 90 HB2 GLU 90 13.100 0.647 -15.515 655 HB3 GLU 90 HB3 GLU 90 11.421 0.894 -15.052 656 HG2 GLU 90 HG2 GLU 90 12.023 3.189 -14.202 657 HG3 GLU 90 HG3 GLU 90 13.689 2.889 -14.792 658 H TYR 91 H TYR 91 14.958 -0.739 -13.866 659 HA TYR 91 HA TYR 91 16.642 1.462 -12.961 660 HB2 TYR 91 HB2 TYR 91 17.911 0.092 -11.341 661 HB3 TYR 91 HB3 TYR 91 16.242 0.263 -10.812 662 HD1 TYR 91 HD1 TYR 91 18.904 -2.079 -11.848 663 HD2 TYR 91 HD2 TYR 91 14.702 -1.731 -10.934 664 HE1 TYR 91 HE1 TYR 91 18.806 -4.555 -11.480 665 HE2 TYR 91 HE2 TYR 91 14.603 -4.229 -10.560 666 HH TYR 91 HH TYR 91 15.845 -6.214 -10.477 667 H SER 92 H SER 92 19.020 0.860 -13.480 668 HA SER 92 HA SER 92 19.170 -1.284 -15.523 669 HB2 SER 92 HB2 SER 92 20.331 0.254 -17.103 670 HB3 SER 92 HB3 SER 92 18.701 0.815 -16.721 671 HG SER 92 HG SER 92 21.159 1.793 -15.641 672 H PHE 93 H PHE 93 21.299 -2.006 -16.002 673 HA PHE 93 HA PHE 93 23.472 -1.147 -14.210 674 HB2 PHE 93 HB2 PHE 93 23.659 -3.196 -12.949 675 HB3 PHE 93 HB3 PHE 93 22.027 -2.568 -12.719 676 HD1 PHE 93 HD1 PHE 93 24.094 -5.242 -14.157 677 HD2 PHE 93 HD2 PHE 93 20.060 -3.792 -13.674 678 HE1 PHE 93 HE1 PHE 93 23.172 -7.487 -14.831 679 HE2 PHE 93 HE2 PHE 93 19.171 -5.971 -14.314 680 HZ PHE 93 HZ PHE 93 20.715 -7.821 -14.885 681 H LYS 94 H LYS 94 25.454 -2.637 -14.599 682 HA LYS 94 HA LYS 94 25.331 -3.629 -17.405 683 HB2 LYS 94 HB2 LYS 94 26.725 -1.601 -17.078 684 HB3 LYS 94 HB3 LYS 94 27.716 -2.459 -15.900 685 HG2 LYS 94 HG2 LYS 94 28.391 -4.050 -17.698 686 HG3 LYS 94 HG3 LYS 94 27.478 -3.081 -18.898 687 HD2 LYS 94 HD2 LYS 94 28.842 -1.070 -18.305 688 HD3 LYS 94 HD3 LYS 94 29.775 -2.078 -17.168 689 HE2 LYS 94 HE2 LYS 94 30.436 -3.594 -19.110 690 HE3 LYS 94 HE3 LYS 94 29.600 -2.483 -20.218 691 HZ1 LYS 94 HZ1 LYS 94 31.964 -1.947 -18.554 692 HZ2 LYS 94 HZ2 LYS 94 31.077 -0.730 -19.189 693 HZ3 LYS 94 HZ3 LYS 94 31.826 -1.798 -20.171 694 H VAL 95 H VAL 95 25.897 -5.710 -17.798 695 HA VAL 95 HA VAL 95 27.096 -7.326 -15.589 696 HB VAL 95 HB VAL 95 26.239 -8.142 -18.422 697 HG11 VAL 95 HG11 VAL 95 26.446 -10.455 -17.660 698 HG12 VAL 95 HG12 VAL 95 28.013 -9.606 -17.613 699 HG13 VAL 95 HG13 VAL 95 27.109 -9.887 -16.101 700 HG21 VAL 95 HG21 VAL 95 24.922 -8.629 -15.690 701 HG22 VAL 95 HG22 VAL 95 24.344 -7.429 -16.954 702 HG23 VAL 95 HG23 VAL 95 24.319 -9.182 -17.304 703 H GLY 96 H GLY 96 29.207 -7.818 -15.524 704 HA2 GLY 96 HA2 GLY 96 30.899 -8.075 -17.741 705 HA3 GLY 96 HA3 GLY 96 31.205 -6.481 -16.955 706 H GLN 97 H GLN 97 32.142 -9.716 -16.941 707 HA GLN 97 HA GLN 97 32.237 -10.174 -14.099 708 HB2 GLN 97 HB2 GLN 97 32.173 -11.963 -15.893 709 HB3 GLN 97 HB3 GLN 97 33.850 -11.557 -16.280 710 HG2 GLN 97 HG2 GLN 97 34.527 -12.250 -14.021 711 HG3 GLN 97 HG3 GLN 97 32.843 -12.580 -13.590 712 HE21 GLN 97 HE21 GLN 97 32.778 -14.705 -13.306 713 HE22 GLN 97 HE22 GLN 97 33.308 -15.875 -14.486 Start of MODEL 16 1 H1 HIS 1 H1 HIS 1 1.179 -1.216 -3.328 2 H2 HIS 1 H2 HIS 1 0.428 -0.061 -4.212 3 H3 HIS 1 H3 HIS 1 1.915 -0.602 -4.642 4 HA HIS 1 HA HIS 1 2.070 1.536 -3.653 5 HB2 HIS 1 HB2 HIS 1 1.509 1.858 -1.285 6 HB3 HIS 1 HB3 HIS 1 0.108 1.381 -2.227 7 HD1 HIS 1 HD1 HIS 1 2.543 -0.013 0.387 8 HD2 HIS 1 HD2 HIS 1 -1.143 -0.919 -1.422 9 HE1 HIS 1 HE1 HIS 1 1.475 -1.907 1.723 10 H ALA 2 H ALA 2 3.163 -1.716 -3.121 11 HA ALA 2 HA ALA 2 5.163 -1.061 -1.156 12 HB1 ALA 2 HB1 ALA 2 6.052 -3.247 -1.583 13 HB2 ALA 2 HB2 ALA 2 4.296 -3.360 -1.611 14 HB3 ALA 2 HB3 ALA 2 5.187 -3.370 -3.142 15 H HIS 3 H HIS 3 7.367 -0.551 -1.426 16 HA HIS 3 HA HIS 3 8.346 -0.039 -4.211 17 HB2 HIS 3 HB2 HIS 3 8.742 1.723 -1.700 18 HB3 HIS 3 HB3 HIS 3 9.625 1.900 -3.231 19 HD1 HIS 3 HD1 HIS 3 8.656 4.386 -3.154 20 HD2 HIS 3 HD2 HIS 3 5.935 1.314 -3.907 21 HE1 HIS 3 HE1 HIS 3 6.544 5.427 -4.090 22 H LEU 4 H LEU 4 10.589 -0.169 -4.466 23 HA LEU 4 HA LEU 4 11.793 -2.389 -3.132 24 HB2 LEU 4 HB2 LEU 4 12.199 -1.621 -5.494 25 HB3 LEU 4 HB3 LEU 4 13.002 -0.240 -4.867 26 HG LEU 4 HG LEU 4 14.830 -1.694 -4.037 27 HD11 LEU 4 HD11 LEU 4 14.887 -4.009 -4.875 28 HD12 LEU 4 HD12 LEU 4 13.211 -3.849 -5.409 29 HD13 LEU 4 HD13 LEU 4 13.592 -3.761 -3.684 30 HD21 LEU 4 HD21 LEU 4 14.975 -0.680 -6.226 31 HD22 LEU 4 HD22 LEU 4 14.057 -1.968 -6.952 32 HD23 LEU 4 HD23 LEU 4 15.677 -2.278 -6.286 33 H LYS 5 H LYS 5 13.229 -2.475 -1.336 34 HA LYS 5 HA LYS 5 14.289 0.191 -0.381 35 HB2 LYS 5 HB2 LYS 5 13.917 -2.359 1.202 36 HB3 LYS 5 HB3 LYS 5 14.664 -0.896 1.798 37 HG2 LYS 5 HG2 LYS 5 12.478 0.322 1.462 38 HG3 LYS 5 HG3 LYS 5 11.749 -1.233 0.946 39 HD2 LYS 5 HD2 LYS 5 11.236 -0.976 3.273 40 HD3 LYS 5 HD3 LYS 5 12.424 -2.273 3.115 41 HE2 LYS 5 HE2 LYS 5 14.238 -0.657 3.786 42 HE3 LYS 5 HE3 LYS 5 12.989 0.637 3.950 43 HZ1 LYS 5 HZ1 LYS 5 11.925 -0.685 5.667 44 HZ2 LYS 5 HZ2 LYS 5 13.473 -0.247 6.075 45 HZ3 LYS 5 HZ3 LYS 5 13.147 -1.804 5.600 46 H SER 6 H SER 6 15.257 -3.051 -1.404 47 HA SER 6 HA SER 6 18.085 -2.247 -1.405 48 HB2 SER 6 HB2 SER 6 17.782 -3.012 0.935 49 HB3 SER 6 HB3 SER 6 17.106 -4.549 0.383 50 HG SER 6 HG SER 6 19.720 -3.506 -0.073 51 H ALA 7 H ALA 7 19.307 -3.897 -2.699 52 HA ALA 7 HA ALA 7 17.744 -5.925 -3.992 53 HB1 ALA 7 HB1 ALA 7 18.761 -3.591 -5.693 54 HB2 ALA 7 HB2 ALA 7 17.756 -4.933 -6.234 55 HB3 ALA 7 HB3 ALA 7 17.120 -3.751 -5.148 56 H THR 8 H THR 8 18.659 -6.998 -5.757 57 HA THR 8 HA THR 8 21.558 -7.696 -5.474 58 HB THR 8 HB THR 8 19.219 -8.822 -7.147 59 HG1 THR 8 HG1 THR 8 18.897 -8.965 -4.911 60 HG21 THR 8 HG21 THR 8 21.169 -9.625 -8.160 61 HG22 THR 8 HG22 THR 8 20.501 -10.958 -7.137 62 HG23 THR 8 HG23 THR 8 21.908 -9.997 -6.554 63 HA PRO 9 HA PRO 9 23.510 -5.235 -8.599 64 HB2 PRO 9 HB2 PRO 9 21.963 -6.445 -10.894 65 HB3 PRO 9 HB3 PRO 9 23.707 -6.080 -10.654 66 HG2 PRO 9 HG2 PRO 9 22.215 -8.630 -9.677 67 HG3 PRO 9 HG3 PRO 9 23.974 -8.470 -9.909 68 HD2 PRO 9 HD2 PRO 9 22.953 -8.475 -7.399 69 HD3 PRO 9 HD3 PRO 9 24.167 -7.231 -7.752 70 H ALA 10 H ALA 10 22.691 -3.703 -7.447 71 HA ALA 10 HA ALA 10 20.305 -2.242 -7.852 72 HB1 ALA 10 HB1 ALA 10 21.808 -2.241 -5.834 73 HB2 ALA 10 HB2 ALA 10 22.905 -1.128 -6.734 74 HB3 ALA 10 HB3 ALA 10 21.214 -0.702 -6.392 75 H ALA 11 H ALA 11 20.329 0.122 -8.536 76 HA ALA 11 HA ALA 11 20.980 0.198 -11.245 77 HB1 ALA 11 HB1 ALA 11 20.567 2.585 -9.409 78 HB2 ALA 11 HB2 ALA 11 20.392 2.580 -11.190 79 HB3 ALA 11 HB3 ALA 11 19.263 1.642 -10.172 80 H ASP 12 H ASP 12 22.498 0.897 -12.512 81 HA ASP 12 HA ASP 12 24.526 1.512 -13.313 82 HB2 ASP 12 HB2 ASP 12 23.813 3.691 -12.118 83 HB3 ASP 12 HB3 ASP 12 24.998 3.254 -10.896 84 H SER 13 H SER 13 24.357 -0.667 -11.021 85 HA SER 13 HA SER 13 27.102 -0.617 -9.973 86 HB2 SER 13 HB2 SER 13 24.966 -2.771 -9.935 87 HB3 SER 13 HB3 SER 13 26.482 -2.823 -9.048 88 HG SER 13 HG SER 13 24.232 -1.177 -8.721 89 H THR 14 H THR 14 28.684 -2.221 -10.539 90 HA THR 14 HA THR 14 28.256 -3.640 -13.109 91 HB THR 14 HB THR 14 30.783 -3.645 -13.292 92 HG1 THR 14 HG1 THR 14 31.817 -2.060 -11.903 93 HG21 THR 14 HG21 THR 14 29.511 -1.896 -14.468 94 HG22 THR 14 HG22 THR 14 31.048 -1.259 -13.852 95 HG23 THR 14 HG23 THR 14 29.536 -0.873 -13.016 96 H VAL 15 H VAL 15 28.167 -5.782 -12.932 97 HA VAL 15 HA VAL 15 29.357 -7.092 -10.534 98 HB VAL 15 HB VAL 15 27.204 -8.387 -10.267 99 HG11 VAL 15 HG11 VAL 15 26.679 -5.332 -10.248 100 HG12 VAL 15 HG12 VAL 15 25.862 -6.565 -9.259 101 HG13 VAL 15 HG13 VAL 15 27.588 -6.232 -8.982 102 HG21 VAL 15 HG21 VAL 15 26.075 -6.492 -12.414 103 HG22 VAL 15 HG22 VAL 15 26.439 -8.224 -12.673 104 HG23 VAL 15 HG23 VAL 15 25.189 -7.737 -11.540 105 H ALA 16 H ALA 16 29.325 -9.524 -10.707 106 HA ALA 16 HA ALA 16 30.040 -10.510 -13.382 107 HB1 ALA 16 HB1 ALA 16 30.221 -12.677 -12.215 108 HB2 ALA 16 HB2 ALA 16 31.123 -11.456 -11.298 109 HB3 ALA 16 HB3 ALA 16 29.502 -11.948 -10.760 110 H ALA 17 H ALA 17 28.562 -12.262 -14.384 111 HA ALA 17 HA ALA 17 25.864 -11.314 -14.337 112 HB1 ALA 17 HB1 ALA 17 25.298 -13.344 -15.608 113 HB2 ALA 17 HB2 ALA 17 26.713 -12.484 -16.273 114 HB3 ALA 17 HB3 ALA 17 26.956 -13.961 -15.330 115 HA PRO 18 HA PRO 18 24.686 -13.373 -10.584 116 HB2 PRO 18 HB2 PRO 18 22.089 -12.672 -10.430 117 HB3 PRO 18 HB3 PRO 18 23.359 -11.459 -10.198 118 HG2 PRO 18 HG2 PRO 18 21.811 -12.071 -12.681 119 HG3 PRO 18 HG3 PRO 18 22.072 -10.502 -11.882 120 HD2 PRO 18 HD2 PRO 18 23.588 -11.291 -13.946 121 HD3 PRO 18 HD3 PRO 18 24.297 -10.381 -12.586 122 H ALA 19 H ALA 19 23.489 -15.295 -9.897 123 HA ALA 19 HA ALA 19 22.708 -17.086 -12.053 124 HB1 ALA 19 HB1 ALA 19 23.763 -17.912 -9.885 125 HB2 ALA 19 HB2 ALA 19 22.333 -17.368 -9.007 126 HB3 ALA 19 HB3 ALA 19 22.192 -18.659 -10.191 127 H ASP 20 H ASP 20 21.150 -15.026 -9.592 128 HA ASP 20 HA ASP 20 18.694 -14.940 -11.211 129 HB2 ASP 20 HB2 ASP 20 17.234 -15.573 -9.324 130 HB3 ASP 20 HB3 ASP 20 18.360 -16.879 -9.700 131 H LEU 21 H LEU 21 17.268 -13.123 -10.276 132 HA LEU 21 HA LEU 21 19.013 -11.068 -8.935 133 HB2 LEU 21 HB2 LEU 21 16.697 -10.613 -10.853 134 HB3 LEU 21 HB3 LEU 21 17.634 -9.383 -10.008 135 HG LEU 21 HG LEU 21 19.632 -9.943 -11.351 136 HD11 LEU 21 HD11 LEU 21 19.211 -11.169 -13.541 137 HD12 LEU 21 HD12 LEU 21 17.700 -11.795 -12.891 138 HD13 LEU 21 HD13 LEU 21 19.267 -12.238 -12.157 139 HD21 LEU 21 HD21 LEU 21 17.114 -9.207 -12.889 140 HD22 LEU 21 HD22 LEU 21 18.790 -8.934 -13.473 141 HD23 LEU 21 HD23 LEU 21 18.186 -8.091 -11.980 142 H ARG 22 H ARG 22 18.220 -10.296 -6.973 143 HA ARG 22 HA ARG 22 15.427 -11.125 -6.264 144 HB2 ARG 22 HB2 ARG 22 17.874 -10.950 -4.483 145 HB3 ARG 22 HB3 ARG 22 16.252 -11.428 -3.957 146 HG2 ARG 22 HG2 ARG 22 16.355 -13.342 -5.585 147 HG3 ARG 22 HG3 ARG 22 18.025 -12.873 -5.961 148 HD2 ARG 22 HD2 ARG 22 18.639 -13.152 -3.597 149 HD3 ARG 22 HD3 ARG 22 16.934 -13.737 -3.286 150 HE ARG 22 HE ARG 22 18.089 -15.195 -5.467 151 HH11 ARG 22 HH11 ARG 22 18.335 -14.982 -1.938 152 HH12 ARG 22 HH12 ARG 22 19.014 -16.598 -1.830 153 HH21 ARG 22 HH21 ARG 22 18.817 -17.231 -5.183 154 HH22 ARG 22 HH22 ARG 22 19.221 -17.869 -3.621 155 H LEU 23 H LEU 23 14.143 -9.636 -5.282 156 HA LEU 23 HA LEU 23 15.258 -6.890 -4.899 157 HB2 LEU 23 HB2 LEU 23 12.547 -7.716 -6.012 158 HB3 LEU 23 HB3 LEU 23 13.008 -6.068 -5.664 159 HG LEU 23 HG LEU 23 14.321 -7.826 -7.733 160 HD11 LEU 23 HD11 LEU 23 12.070 -7.260 -8.378 161 HD12 LEU 23 HD12 LEU 23 13.218 -6.296 -9.379 162 HD13 LEU 23 HD13 LEU 23 12.357 -5.537 -7.997 163 HD21 LEU 23 HD21 LEU 23 15.878 -6.138 -6.892 164 HD22 LEU 23 HD22 LEU 23 14.666 -4.873 -7.123 165 HD23 LEU 23 HD23 LEU 23 15.374 -5.707 -8.478 166 H THR 24 H THR 24 14.650 -5.928 -2.912 167 HA THR 24 HA THR 24 12.906 -7.641 -1.130 168 HB THR 24 HB THR 24 15.111 -5.693 -0.313 169 HG1 THR 24 HG1 THR 24 15.234 -8.501 0.018 170 HG21 THR 24 HG21 THR 24 13.479 -5.927 1.477 171 HG22 THR 24 HG22 THR 24 14.830 -7.016 1.859 172 HG23 THR 24 HG23 THR 24 13.334 -7.670 1.177 173 H PHE 25 H PHE 25 11.001 -6.729 -0.512 174 HA PHE 25 HA PHE 25 10.708 -3.771 -0.928 175 HB2 PHE 25 HB2 PHE 25 8.562 -5.948 -1.090 176 HB3 PHE 25 HB3 PHE 25 8.330 -4.222 -1.347 177 HD1 PHE 25 HD1 PHE 25 9.560 -7.329 -2.824 178 HD2 PHE 25 HD2 PHE 25 9.128 -3.093 -3.344 179 HE1 PHE 25 HE1 PHE 25 10.098 -7.590 -5.242 180 HE2 PHE 25 HE2 PHE 25 9.757 -3.304 -5.736 181 HZ PHE 25 HZ PHE 25 10.234 -5.546 -6.730 182 H SER 26 H SER 26 9.157 -2.622 0.393 183 HA SER 26 HA SER 26 9.586 -3.104 3.224 184 HB2 SER 26 HB2 SER 26 8.231 -1.075 3.475 185 HB3 SER 26 HB3 SER 26 9.426 -0.871 2.160 186 HG SER 26 HG SER 26 7.569 -0.242 1.247 187 H GLU 27 H GLU 27 7.056 -3.969 1.034 188 HA GLU 27 HA GLU 27 5.462 -5.056 3.278 189 HB2 GLU 27 HB2 GLU 27 4.429 -2.935 2.506 190 HB3 GLU 27 HB3 GLU 27 4.443 -3.545 0.852 191 HG2 GLU 27 HG2 GLU 27 2.208 -3.788 1.587 192 HG3 GLU 27 HG3 GLU 27 2.850 -5.420 1.671 193 H GLY 28 H GLY 28 4.372 -7.102 2.545 194 HA2 GLY 28 HA2 GLY 28 6.025 -8.463 0.664 195 HA3 GLY 28 HA3 GLY 28 4.558 -9.087 1.422 196 H VAL 29 H VAL 29 5.448 -9.503 -1.332 197 HA VAL 29 HA VAL 29 3.271 -8.019 -2.775 198 HB VAL 29 HB VAL 29 4.696 -8.152 -4.818 199 HG11 VAL 29 HG11 VAL 29 6.092 -6.781 -2.456 200 HG12 VAL 29 HG12 VAL 29 6.420 -6.407 -4.202 201 HG13 VAL 29 HG13 VAL 29 4.820 -6.124 -3.477 202 HG21 VAL 29 HG21 VAL 29 6.857 -9.301 -2.974 203 HG22 VAL 29 HG22 VAL 29 6.000 -10.193 -4.304 204 HG23 VAL 29 HG23 VAL 29 7.092 -8.821 -4.702 205 H GLU 30 H GLU 30 2.342 -9.088 -4.530 206 HA GLU 30 HA GLU 30 1.917 -11.999 -4.038 207 HB2 GLU 30 HB2 GLU 30 0.426 -9.955 -5.755 208 HB3 GLU 30 HB3 GLU 30 -0.032 -11.660 -5.521 209 HG2 GLU 30 HG2 GLU 30 0.175 -9.701 -3.226 210 HG3 GLU 30 HG3 GLU 30 -1.299 -9.898 -4.184 211 H ALA 31 H ALA 31 3.558 -13.117 -5.108 212 HA ALA 31 HA ALA 31 4.813 -12.269 -7.464 213 HB1 ALA 31 HB1 ALA 31 5.661 -13.977 -5.901 214 HB2 ALA 31 HB2 ALA 31 4.478 -15.092 -6.638 215 HB3 ALA 31 HB3 ALA 31 5.770 -14.412 -7.610 216 H THR 32 H THR 32 1.824 -13.967 -7.166 217 HA THR 32 HA THR 32 1.643 -15.102 -9.766 218 HB THR 32 HB THR 32 -0.556 -14.043 -7.924 219 HG1 THR 32 HG1 THR 32 -0.460 -16.085 -6.980 220 HG21 THR 32 HG21 THR 32 -0.560 -16.111 -10.148 221 HG22 THR 32 HG22 THR 32 -1.608 -14.692 -10.009 222 HG23 THR 32 HG23 THR 32 -1.786 -16.066 -8.915 223 H PHE 33 H PHE 33 0.882 -11.882 -8.500 224 HA PHE 33 HA PHE 33 -0.112 -11.061 -11.197 225 HB2 PHE 33 HB2 PHE 33 -0.403 -9.657 -8.513 226 HB3 PHE 33 HB3 PHE 33 -1.117 -9.128 -10.056 227 HD1 PHE 33 HD1 PHE 33 -1.306 -11.515 -7.234 228 HD2 PHE 33 HD2 PHE 33 -3.052 -10.385 -11.002 229 HE1 PHE 33 HE1 PHE 33 -3.388 -12.798 -6.680 230 HE2 PHE 33 HE2 PHE 33 -5.074 -11.735 -10.510 231 HZ PHE 33 HZ PHE 33 -5.284 -12.895 -8.302 232 H THR 34 H THR 34 2.710 -11.081 -9.448 233 HA THR 34 HA THR 34 3.663 -8.396 -10.112 234 HB THR 34 HB THR 34 5.299 -10.887 -9.433 235 HG1 THR 34 HG1 THR 34 3.755 -9.993 -7.822 236 HG21 THR 34 HG21 THR 34 6.089 -7.950 -9.362 237 HG22 THR 34 HG22 THR 34 6.678 -9.197 -10.503 238 HG23 THR 34 HG23 THR 34 7.063 -9.284 -8.759 239 H LYS 35 H LYS 35 4.764 -7.779 -12.016 240 HA LYS 35 HA LYS 35 5.234 -9.901 -14.016 241 HB2 LYS 35 HB2 LYS 35 3.080 -8.717 -14.410 242 HB3 LYS 35 HB3 LYS 35 3.983 -7.207 -14.671 243 HG2 LYS 35 HG2 LYS 35 3.404 -8.063 -16.738 244 HG3 LYS 35 HG3 LYS 35 5.123 -8.425 -16.623 245 HD2 LYS 35 HD2 LYS 35 4.458 -10.738 -15.926 246 HD3 LYS 35 HD3 LYS 35 2.765 -10.249 -16.157 247 HE2 LYS 35 HE2 LYS 35 3.173 -9.794 -18.519 248 HE3 LYS 35 HE3 LYS 35 4.871 -10.312 -18.346 249 HZ1 LYS 35 HZ1 LYS 35 3.623 -12.119 -19.168 250 HZ2 LYS 35 HZ2 LYS 35 2.482 -12.012 -17.961 251 HZ3 LYS 35 HZ3 LYS 35 4.013 -12.454 -17.599 252 H VAL 36 H VAL 36 7.322 -9.859 -14.846 253 HA VAL 36 HA VAL 36 8.820 -7.324 -14.528 254 HB VAL 36 HB VAL 36 9.858 -10.160 -13.978 255 HG11 VAL 36 HG11 VAL 36 11.971 -8.892 -13.167 256 HG12 VAL 36 HG12 VAL 36 11.727 -8.787 -14.891 257 HG13 VAL 36 HG13 VAL 36 11.310 -7.410 -13.876 258 HG21 VAL 36 HG21 VAL 36 8.455 -9.403 -12.089 259 HG22 VAL 36 HG22 VAL 36 10.170 -9.307 -11.614 260 HG23 VAL 36 HG23 VAL 36 9.262 -7.808 -12.044 261 H SER 37 H SER 37 9.972 -6.657 -16.259 262 HA SER 37 HA SER 37 10.442 -8.558 -18.474 263 HB2 SER 37 HB2 SER 37 9.830 -5.555 -18.648 264 HB3 SER 37 HB3 SER 37 10.325 -6.570 -20.019 265 HG SER 37 HG SER 37 8.067 -6.309 -19.843 266 H LEU 38 H LEU 38 12.467 -8.512 -19.409 267 HA LEU 38 HA LEU 38 14.531 -6.688 -18.285 268 HB2 LEU 38 HB2 LEU 38 14.603 -8.943 -17.229 269 HB3 LEU 38 HB3 LEU 38 14.660 -9.651 -18.832 270 HG LEU 38 HG LEU 38 16.889 -8.674 -19.203 271 HD11 LEU 38 HD11 LEU 38 16.983 -8.042 -16.231 272 HD12 LEU 38 HD12 LEU 38 16.758 -6.824 -17.533 273 HD13 LEU 38 HD13 LEU 38 18.263 -7.781 -17.455 274 HD21 LEU 38 HD21 LEU 38 16.594 -10.981 -18.371 275 HD22 LEU 38 HD22 LEU 38 16.710 -10.408 -16.696 276 HD23 LEU 38 HD23 LEU 38 18.115 -10.272 -17.804 277 H SER 39 H SER 39 15.821 -5.776 -19.835 278 HA SER 39 HA SER 39 15.880 -7.134 -22.474 279 HB2 SER 39 HB2 SER 39 15.266 -5.085 -23.681 280 HB3 SER 39 HB3 SER 39 13.997 -5.534 -22.529 281 HG SER 39 HG SER 39 14.423 -3.362 -22.291 282 H LYS 40 H LYS 40 17.471 -6.309 -23.875 283 HA LYS 40 HA LYS 40 19.659 -4.712 -22.626 284 HB2 LYS 40 HB2 LYS 40 21.395 -6.436 -23.269 285 HB3 LYS 40 HB3 LYS 40 20.168 -7.113 -22.151 286 HG2 LYS 40 HG2 LYS 40 18.914 -8.079 -24.110 287 HG3 LYS 40 HG3 LYS 40 20.227 -7.569 -25.187 288 HD2 LYS 40 HD2 LYS 40 21.782 -9.063 -23.894 289 HD3 LYS 40 HD3 LYS 40 20.382 -9.598 -22.960 290 HE2 LYS 40 HE2 LYS 40 19.250 -10.273 -25.026 291 HE3 LYS 40 HE3 LYS 40 20.677 -9.785 -25.970 292 HZ1 LYS 40 HZ1 LYS 40 21.873 -11.613 -25.039 293 HZ2 LYS 40 HZ2 LYS 40 20.416 -12.226 -25.490 294 HZ3 LYS 40 HZ3 LYS 40 20.716 -11.937 -23.888 295 H ASP 41 H ASP 41 20.524 -3.327 -24.117 296 HA ASP 41 HA ASP 41 20.773 -2.203 -26.076 297 HB2 ASP 41 HB2 ASP 41 20.800 -4.976 -27.253 298 HB3 ASP 41 HB3 ASP 41 21.291 -3.550 -28.113 299 H GLY 42 H GLY 42 17.964 -2.865 -25.168 300 HA2 GLY 42 HA2 GLY 42 15.881 -2.243 -26.027 301 HA3 GLY 42 HA3 GLY 42 16.622 -2.008 -27.623 302 H THR 43 H THR 43 17.148 -5.148 -26.120 303 HA THR 43 HA THR 43 14.910 -6.335 -27.755 304 HB THR 43 HB THR 43 17.704 -7.523 -27.206 305 HG1 THR 43 HG1 THR 43 17.939 -5.961 -28.702 306 HG21 THR 43 HG21 THR 43 15.948 -9.207 -27.420 307 HG22 THR 43 HG22 THR 43 17.079 -9.264 -28.795 308 HG23 THR 43 HG23 THR 43 15.469 -8.504 -28.940 309 H GLU 44 H GLU 44 13.530 -7.552 -26.543 310 HA GLU 44 HA GLU 44 13.749 -7.816 -23.708 311 HB2 GLU 44 HB2 GLU 44 11.637 -7.738 -25.063 312 HB3 GLU 44 HB3 GLU 44 12.034 -9.382 -25.649 313 HG2 GLU 44 HG2 GLU 44 11.934 -10.234 -23.329 314 HG3 GLU 44 HG3 GLU 44 11.614 -8.611 -22.742 315 H VAL 45 H VAL 45 14.277 -9.453 -22.365 316 HA VAL 45 HA VAL 45 15.578 -11.894 -23.547 317 HB VAL 45 HB VAL 45 16.070 -10.519 -20.817 318 HG11 VAL 45 HG11 VAL 45 17.964 -12.178 -20.683 319 HG12 VAL 45 HG12 VAL 45 16.380 -12.916 -20.535 320 HG13 VAL 45 HG13 VAL 45 17.284 -13.025 -22.075 321 HG21 VAL 45 HG21 VAL 45 17.817 -10.742 -23.289 322 HG22 VAL 45 HG22 VAL 45 17.073 -9.256 -22.646 323 HG23 VAL 45 HG23 VAL 45 18.328 -10.110 -21.698 324 H ALA 46 H ALA 46 14.598 -13.872 -22.951 325 HA ALA 46 HA ALA 46 12.037 -13.778 -21.712 326 HB1 ALA 46 HB1 ALA 46 13.888 -16.084 -22.519 327 HB2 ALA 46 HB2 ALA 46 12.172 -16.297 -22.065 328 HB3 ALA 46 HB3 ALA 46 12.624 -15.348 -23.504 329 H ILE 47 H ILE 47 11.315 -14.708 -19.779 330 HA ILE 47 HA ILE 47 13.357 -14.949 -17.627 331 HB ILE 47 HB ILE 47 10.408 -14.081 -17.479 332 HG12 ILE 47 HG12 ILE 47 11.793 -12.345 -18.585 333 HG13 ILE 47 HG13 ILE 47 11.256 -11.839 -16.997 334 HG21 ILE 47 HG21 ILE 47 11.104 -13.297 -15.134 335 HG22 ILE 47 HG22 ILE 47 10.902 -15.042 -15.365 336 HG23 ILE 47 HG23 ILE 47 12.521 -14.321 -15.282 337 HD11 ILE 47 HD11 ILE 47 14.056 -12.798 -17.724 338 HD12 ILE 47 HD12 ILE 47 13.550 -11.141 -17.359 339 HD13 ILE 47 HD13 ILE 47 13.542 -12.355 -16.073 340 H LYS 48 H LYS 48 13.490 -16.821 -16.496 341 HA LYS 48 HA LYS 48 12.146 -19.180 -17.399 342 HB2 LYS 48 HB2 LYS 48 14.424 -18.845 -16.223 343 HB3 LYS 48 HB3 LYS 48 13.532 -18.711 -14.745 344 HG2 LYS 48 HG2 LYS 48 14.289 -20.996 -14.792 345 HG3 LYS 48 HG3 LYS 48 12.592 -21.087 -15.260 346 HD2 LYS 48 HD2 LYS 48 13.827 -22.517 -16.764 347 HD3 LYS 48 HD3 LYS 48 13.464 -21.046 -17.709 348 HE2 LYS 48 HE2 LYS 48 15.702 -20.172 -17.172 349 HE3 LYS 48 HE3 LYS 48 16.078 -21.678 -16.282 350 HZ1 LYS 48 HZ1 LYS 48 15.469 -21.461 -19.174 351 HZ2 LYS 48 HZ2 LYS 48 15.804 -22.877 -18.401 352 HZ3 LYS 48 HZ3 LYS 48 16.963 -21.707 -18.554 353 H GLY 49 H GLY 49 11.563 -16.827 -14.875 354 HA2 GLY 49 HA2 GLY 49 8.905 -16.944 -14.483 355 HA3 GLY 49 HA3 GLY 49 9.403 -18.419 -13.623 356 H LEU 50 H LEU 50 8.234 -16.749 -11.972 357 HA LEU 50 HA LEU 50 10.403 -15.585 -10.372 358 HB2 LEU 50 HB2 LEU 50 9.450 -13.391 -10.138 359 HB3 LEU 50 HB3 LEU 50 9.653 -13.691 -11.847 360 HG LEU 50 HG LEU 50 7.046 -13.861 -10.378 361 HD11 LEU 50 HD11 LEU 50 6.561 -11.692 -11.348 362 HD12 LEU 50 HD12 LEU 50 8.107 -11.708 -12.205 363 HD13 LEU 50 HD13 LEU 50 8.047 -11.607 -10.455 364 HD21 LEU 50 HD21 LEU 50 7.657 -13.979 -13.356 365 HD22 LEU 50 HD22 LEU 50 6.032 -13.681 -12.684 366 HD23 LEU 50 HD23 LEU 50 6.833 -15.207 -12.386 367 H GLU 51 H GLU 51 9.964 -15.389 -8.203 368 HA GLU 51 HA GLU 51 7.322 -16.206 -7.149 369 HB2 GLU 51 HB2 GLU 51 8.141 -18.245 -6.151 370 HB3 GLU 51 HB3 GLU 51 8.392 -18.280 -7.896 371 HG2 GLU 51 HG2 GLU 51 10.809 -17.614 -7.577 372 HG3 GLU 51 HG3 GLU 51 10.570 -17.764 -5.826 373 H THR 52 H THR 52 7.396 -16.320 -4.677 374 HA THR 52 HA THR 52 9.648 -14.719 -3.558 375 HB THR 52 HB THR 52 8.092 -13.995 -1.743 376 HG1 THR 52 HG1 THR 52 6.609 -15.799 -2.265 377 HG21 THR 52 HG21 THR 52 7.318 -13.187 -4.565 378 HG22 THR 52 HG22 THR 52 8.432 -12.382 -3.417 379 HG23 THR 52 HG23 THR 52 6.688 -12.440 -3.118 380 HA PRO 53 HA PRO 53 9.707 -18.813 -1.606 381 HB2 PRO 53 HB2 PRO 53 12.253 -18.890 -0.690 382 HB3 PRO 53 HB3 PRO 53 11.852 -19.129 -2.411 383 HG2 PRO 53 HG2 PRO 53 12.694 -16.640 -0.916 384 HG3 PRO 53 HG3 PRO 53 13.402 -17.361 -2.401 385 HD2 PRO 53 HD2 PRO 53 11.652 -15.306 -2.572 386 HD3 PRO 53 HD3 PRO 53 11.626 -16.680 -3.739 387 H ASP 54 H ASP 54 10.653 -15.757 -0.092 388 HA ASP 54 HA ASP 54 10.938 -16.794 2.613 389 HB2 ASP 54 HB2 ASP 54 10.333 -14.004 1.502 390 HB3 ASP 54 HB3 ASP 54 10.587 -14.378 3.258 391 H ALA 55 H ALA 55 9.618 -16.725 4.335 392 HA ALA 55 HA ALA 55 6.828 -17.329 3.836 393 HB1 ALA 55 HB1 ALA 55 8.324 -16.750 6.412 394 HB2 ALA 55 HB2 ALA 55 6.651 -17.352 6.300 395 HB3 ALA 55 HB3 ALA 55 8.002 -18.338 5.693 396 H ASP 56 H ASP 56 8.547 -14.404 4.724 397 HA ASP 56 HA ASP 56 6.056 -13.029 5.434 398 HB2 ASP 56 HB2 ASP 56 7.473 -11.073 5.830 399 HB3 ASP 56 HB3 ASP 56 8.208 -12.526 6.584 400 H LYS 57 H LYS 57 7.453 -13.874 2.599 401 HA LYS 57 HA LYS 57 7.186 -13.434 0.398 402 HB2 LYS 57 HB2 LYS 57 4.866 -11.767 1.365 403 HB3 LYS 57 HB3 LYS 57 5.071 -12.333 -0.298 404 HG2 LYS 57 HG2 LYS 57 4.837 -14.665 0.485 405 HG3 LYS 57 HG3 LYS 57 4.736 -14.113 2.169 406 HD2 LYS 57 HD2 LYS 57 2.445 -14.521 1.411 407 HD3 LYS 57 HD3 LYS 57 2.671 -12.794 1.668 408 HE2 LYS 57 HE2 LYS 57 1.442 -13.122 -0.410 409 HE3 LYS 57 HE3 LYS 57 3.075 -12.558 -0.848 410 HZ1 LYS 57 HZ1 LYS 57 3.583 -14.992 -1.112 411 HZ2 LYS 57 HZ2 LYS 57 2.596 -14.351 -2.243 412 HZ3 LYS 57 HZ3 LYS 57 1.972 -15.266 -1.048 413 H LYS 58 H LYS 58 8.914 -11.623 1.991 414 HA LYS 58 HA LYS 58 8.446 -8.994 0.687 415 HB2 LYS 58 HB2 LYS 58 10.403 -9.684 2.845 416 HB3 LYS 58 HB3 LYS 58 10.189 -8.083 2.128 417 HG2 LYS 58 HG2 LYS 58 7.827 -8.066 2.895 418 HG3 LYS 58 HG3 LYS 58 8.094 -9.626 3.688 419 HD2 LYS 58 HD2 LYS 58 9.861 -8.602 5.105 420 HD3 LYS 58 HD3 LYS 58 9.535 -7.046 4.336 421 HE2 LYS 58 HE2 LYS 58 7.157 -7.176 5.117 422 HE3 LYS 58 HE3 LYS 58 7.490 -8.701 5.901 423 HZ1 LYS 58 HZ1 LYS 58 7.546 -6.929 7.453 424 HZ2 LYS 58 HZ2 LYS 58 8.766 -6.166 6.625 425 HZ3 LYS 58 HZ3 LYS 58 9.052 -7.624 7.325 426 H THR 59 H THR 59 10.349 -11.713 0.120 427 HA THR 59 HA THR 59 12.189 -10.059 -1.516 428 HB THR 59 HB THR 59 12.615 -12.913 -0.566 429 HG1 THR 59 HG1 THR 59 13.366 -12.086 1.167 430 HG21 THR 59 HG21 THR 59 13.849 -12.471 -2.660 431 HG22 THR 59 HG22 THR 59 14.988 -12.618 -1.302 432 HG23 THR 59 HG23 THR 59 14.557 -11.013 -1.946 433 H LEU 60 H LEU 60 11.856 -10.142 -3.657 434 HA LEU 60 HA LEU 60 10.223 -12.348 -4.806 435 HB2 LEU 60 HB2 LEU 60 9.399 -10.014 -5.031 436 HB3 LEU 60 HB3 LEU 60 10.908 -9.572 -5.832 437 HG LEU 60 HG LEU 60 8.970 -9.635 -7.275 438 HD11 LEU 60 HD11 LEU 60 11.224 -10.098 -8.187 439 HD12 LEU 60 HD12 LEU 60 9.829 -10.653 -9.186 440 HD13 LEU 60 HD13 LEU 60 10.771 -11.840 -8.199 441 HD21 LEU 60 HD21 LEU 60 8.917 -12.625 -6.771 442 HD22 LEU 60 HD22 LEU 60 7.842 -11.702 -7.896 443 HD23 LEU 60 HD23 LEU 60 7.716 -11.409 -6.156 444 H VAL 61 H VAL 61 11.214 -13.712 -6.335 445 HA VAL 61 HA VAL 61 14.081 -13.043 -6.974 446 HB VAL 61 HB VAL 61 12.734 -15.768 -6.513 447 HG11 VAL 61 HG11 VAL 61 15.076 -16.726 -6.611 448 HG12 VAL 61 HG12 VAL 61 14.520 -16.015 -8.118 449 HG13 VAL 61 HG13 VAL 61 15.640 -15.145 -7.132 450 HG21 VAL 61 HG21 VAL 61 14.667 -14.126 -4.790 451 HG22 VAL 61 HG22 VAL 61 13.030 -14.636 -4.373 452 HG23 VAL 61 HG23 VAL 61 14.337 -15.815 -4.481 453 H VAL 62 H VAL 62 14.642 -12.987 -9.067 454 HA VAL 62 HA VAL 62 12.700 -14.063 -11.079 455 HB VAL 62 HB VAL 62 14.608 -11.702 -11.378 456 HG11 VAL 62 HG11 VAL 62 12.511 -12.876 -13.243 457 HG12 VAL 62 HG12 VAL 62 13.320 -11.341 -13.490 458 HG13 VAL 62 HG13 VAL 62 14.263 -12.831 -13.500 459 HG21 VAL 62 HG21 VAL 62 12.605 -10.271 -11.427 460 HG22 VAL 62 HG22 VAL 62 11.555 -11.678 -11.134 461 HG23 VAL 62 HG23 VAL 62 12.708 -11.154 -9.883 462 H THR 63 H THR 63 13.544 -15.533 -12.584 463 HA THR 63 HA THR 63 16.511 -15.885 -12.561 464 HB THR 63 HB THR 63 14.411 -18.030 -12.954 465 HG1 THR 63 HG1 THR 63 16.116 -17.444 -10.729 466 HG21 THR 63 HG21 THR 63 17.434 -18.092 -12.756 467 HG22 THR 63 HG22 THR 63 16.391 -18.657 -14.094 468 HG23 THR 63 HG23 THR 63 16.386 -19.525 -12.536 469 HA PRO 64 HA PRO 64 15.903 -14.866 -16.853 470 HB2 PRO 64 HB2 PRO 64 18.433 -15.048 -17.785 471 HB3 PRO 64 HB3 PRO 64 17.967 -13.743 -16.672 472 HG2 PRO 64 HG2 PRO 64 19.281 -16.355 -16.029 473 HG3 PRO 64 HG3 PRO 64 19.815 -14.699 -15.609 474 HD2 PRO 64 HD2 PRO 64 18.329 -16.207 -13.823 475 HD3 PRO 64 HD3 PRO 64 18.056 -14.437 -13.995 476 H ALA 65 H ALA 65 15.830 -15.954 -18.896 477 HA ALA 65 HA ALA 65 15.566 -18.811 -18.722 478 HB1 ALA 65 HB1 ALA 65 15.116 -18.697 -21.144 479 HB2 ALA 65 HB2 ALA 65 14.145 -17.526 -20.203 480 HB3 ALA 65 HB3 ALA 65 15.553 -16.983 -21.138 481 H ALA 66 H ALA 66 18.181 -16.727 -19.653 482 HA ALA 66 HA ALA 66 19.956 -19.029 -20.154 483 HB1 ALA 66 HB1 ALA 66 19.148 -18.462 -22.500 484 HB2 ALA 66 HB2 ALA 66 19.499 -16.793 -22.227 485 HB3 ALA 66 HB3 ALA 66 20.800 -17.936 -22.298 486 HA PRO 67 HA PRO 67 22.546 -16.483 -17.728 487 HB2 PRO 67 HB2 PRO 67 25.041 -16.988 -18.673 488 HB3 PRO 67 HB3 PRO 67 24.176 -18.191 -17.783 489 HG2 PRO 67 HG2 PRO 67 24.397 -17.797 -20.761 490 HG3 PRO 67 HG3 PRO 67 24.694 -19.296 -19.835 491 HD2 PRO 67 HD2 PRO 67 22.354 -18.976 -21.031 492 HD3 PRO 67 HD3 PRO 67 22.366 -19.578 -19.336 493 H LEU 68 H LEU 68 23.688 -14.483 -17.701 494 HA LEU 68 HA LEU 68 23.148 -12.927 -20.135 495 HB2 LEU 68 HB2 LEU 68 24.022 -12.031 -17.368 496 HB3 LEU 68 HB3 LEU 68 23.501 -10.968 -18.643 497 HG LEU 68 HG LEU 68 21.787 -12.968 -17.107 498 HD11 LEU 68 HD11 LEU 68 21.991 -9.936 -17.036 499 HD12 LEU 68 HD12 LEU 68 22.396 -11.082 -15.726 500 HD13 LEU 68 HD13 LEU 68 20.723 -10.873 -16.244 501 HD21 LEU 68 HD21 LEU 68 20.993 -11.013 -19.246 502 HD22 LEU 68 HD22 LEU 68 19.861 -11.884 -18.202 503 HD23 LEU 68 HD23 LEU 68 20.901 -12.776 -19.349 504 H ALA 69 H ALA 69 24.649 -11.931 -21.404 505 HA ALA 69 HA ALA 69 27.497 -12.540 -20.916 506 HB1 ALA 69 HB1 ALA 69 27.802 -11.522 -23.186 507 HB2 ALA 69 HB2 ALA 69 26.523 -12.757 -23.191 508 HB3 ALA 69 HB3 ALA 69 26.085 -11.046 -23.182 509 H ALA 70 H ALA 70 29.050 -10.570 -21.232 510 HA ALA 70 HA ALA 70 28.463 -8.473 -19.395 511 HB1 ALA 70 HB1 ALA 70 30.521 -8.674 -21.634 512 HB2 ALA 70 HB2 ALA 70 30.549 -7.414 -20.372 513 HB3 ALA 70 HB3 ALA 70 30.777 -9.122 -19.955 514 H GLY 71 H GLY 71 27.766 -6.336 -19.686 515 HA2 GLY 71 HA2 GLY 71 27.463 -4.688 -21.798 516 HA3 GLY 71 HA3 GLY 71 26.254 -5.926 -22.200 517 H ASN 72 H ASN 72 25.090 -3.628 -22.053 518 HA ASN 72 HA ASN 72 24.296 -2.904 -19.275 519 HB2 ASN 72 HB2 ASN 72 24.834 -1.207 -21.076 520 HB3 ASN 72 HB3 ASN 72 23.383 -1.738 -21.949 521 HD21 ASN 72 HD21 ASN 72 21.892 -0.250 -21.699 522 HD22 ASN 72 HD22 ASN 72 21.432 0.544 -20.217 523 H TYR 73 H TYR 73 22.352 -3.326 -18.327 524 HA TYR 73 HA TYR 73 20.177 -4.444 -20.027 525 HB2 TYR 73 HB2 TYR 73 21.017 -5.357 -17.244 526 HB3 TYR 73 HB3 TYR 73 19.578 -5.896 -18.111 527 HD1 TYR 73 HD1 TYR 73 19.631 -7.570 -19.774 528 HD2 TYR 73 HD2 TYR 73 23.289 -5.997 -18.224 529 HE1 TYR 73 HE1 TYR 73 20.837 -9.417 -20.914 530 HE2 TYR 73 HE2 TYR 73 24.544 -7.841 -19.383 531 HH TYR 73 HH TYR 73 24.410 -9.707 -20.665 532 H LYS 74 H LYS 74 18.093 -4.063 -19.429 533 HA LYS 74 HA LYS 74 17.573 -1.990 -17.309 534 HB2 LYS 74 HB2 LYS 74 17.461 -1.049 -19.651 535 HB3 LYS 74 HB3 LYS 74 16.275 -2.285 -20.036 536 HG2 LYS 74 HG2 LYS 74 15.039 -0.324 -19.725 537 HG3 LYS 74 HG3 LYS 74 14.715 -1.408 -18.323 538 HD2 LYS 74 HD2 LYS 74 14.798 0.779 -17.427 539 HD3 LYS 74 HD3 LYS 74 16.333 0.045 -16.986 540 HE2 LYS 74 HE2 LYS 74 17.466 1.294 -18.811 541 HE3 LYS 74 HE3 LYS 74 15.903 1.964 -19.308 542 HZ1 LYS 74 HZ1 LYS 74 15.723 3.027 -17.266 543 HZ2 LYS 74 HZ2 LYS 74 17.138 3.450 -17.933 544 HZ3 LYS 74 HZ3 LYS 74 17.095 2.404 -16.676 545 H VAL 75 H VAL 75 16.056 -2.532 -15.893 546 HA VAL 75 HA VAL 75 14.347 -4.921 -16.493 547 HB VAL 75 HB VAL 75 15.296 -3.945 -13.780 548 HG11 VAL 75 HG11 VAL 75 14.158 -5.983 -12.903 549 HG12 VAL 75 HG12 VAL 75 13.005 -4.868 -13.674 550 HG13 VAL 75 HG13 VAL 75 13.536 -6.338 -14.559 551 HG21 VAL 75 HG21 VAL 75 15.912 -6.583 -15.127 552 HG22 VAL 75 HG22 VAL 75 17.000 -5.158 -15.268 553 HG23 VAL 75 HG23 VAL 75 16.653 -5.869 -13.677 554 H VAL 76 H VAL 76 12.180 -4.482 -16.548 555 HA VAL 76 HA VAL 76 11.176 -1.957 -15.299 556 HB VAL 76 HB VAL 76 10.210 -3.279 -17.826 557 HG11 VAL 76 HG11 VAL 76 8.688 -1.360 -18.001 558 HG12 VAL 76 HG12 VAL 76 8.355 -2.378 -16.601 559 HG13 VAL 76 HG13 VAL 76 9.222 -0.824 -16.350 560 HG21 VAL 76 HG21 VAL 76 12.323 -2.044 -18.190 561 HG22 VAL 76 HG22 VAL 76 10.955 -1.167 -18.881 562 HG23 VAL 76 HG23 VAL 76 11.625 -0.609 -17.325 563 H TRP 77 H TRP 77 9.511 -2.333 -13.745 564 HA TRP 77 HA TRP 77 8.348 -5.047 -13.847 565 HB2 TRP 77 HB2 TRP 77 8.871 -5.464 -11.487 566 HB3 TRP 77 HB3 TRP 77 10.279 -5.380 -12.474 567 HD1 TRP 77 HD1 TRP 77 12.026 -3.452 -12.020 568 HE1 TRP 77 HE1 TRP 77 12.399 -1.646 -10.262 569 HE3 TRP 77 HE3 TRP 77 7.523 -3.838 -9.748 570 HZ2 TRP 77 HZ2 TRP 77 10.834 -0.413 -8.215 571 HZ3 TRP 77 HZ3 TRP 77 6.991 -2.285 -7.818 572 HH2 TRP 77 HH2 TRP 77 8.625 -0.545 -7.133 573 H ASN 78 H ASN 78 6.481 -5.441 -12.761 574 HA ASN 78 HA ASN 78 5.030 -3.094 -11.611 575 HB2 ASN 78 HB2 ASN 78 3.965 -5.409 -13.238 576 HB3 ASN 78 HB3 ASN 78 2.938 -4.180 -12.456 577 HD21 ASN 78 HD21 ASN 78 3.844 -5.021 -15.334 578 HD22 ASN 78 HD22 ASN 78 3.957 -3.462 -16.091 579 H ALA 79 H ALA 79 4.558 -3.535 -9.431 580 HA ALA 79 HA ALA 79 4.555 -6.397 -8.595 581 HB1 ALA 79 HB1 ALA 79 6.631 -5.073 -7.929 582 HB2 ALA 79 HB2 ALA 79 5.566 -4.026 -6.948 583 HB3 ALA 79 HB3 ALA 79 5.712 -5.759 -6.592 584 H VAL 80 H VAL 80 2.917 -6.933 -7.123 585 HA VAL 80 HA VAL 80 0.992 -4.754 -6.516 586 HB VAL 80 HB VAL 80 0.340 -7.677 -7.160 587 HG11 VAL 80 HG11 VAL 80 -1.243 -6.784 -5.526 588 HG12 VAL 80 HG12 VAL 80 -1.520 -5.351 -6.543 589 HG13 VAL 80 HG13 VAL 80 -2.033 -6.949 -7.096 590 HG21 VAL 80 HG21 VAL 80 0.935 -6.452 -9.197 591 HG22 VAL 80 HG22 VAL 80 -0.806 -6.765 -9.189 592 HG23 VAL 80 HG23 VAL 80 -0.211 -5.174 -8.817 593 H SER 81 H SER 81 0.536 -4.525 -4.423 594 HA SER 81 HA SER 81 2.029 -6.115 -2.516 595 HB2 SER 81 HB2 SER 81 1.086 -4.632 -0.889 596 HB3 SER 81 HB3 SER 81 1.604 -3.632 -2.255 597 HG SER 81 HG SER 81 -0.479 -3.210 -1.401 598 H VAL 82 H VAL 82 0.916 -7.020 -0.536 599 HA VAL 82 HA VAL 82 -1.144 -8.884 -1.408 600 HB VAL 82 HB VAL 82 -1.223 -9.655 0.977 601 HG11 VAL 82 HG11 VAL 82 1.081 -10.299 1.285 602 HG12 VAL 82 HG12 VAL 82 0.589 -10.505 -0.388 603 HG13 VAL 82 HG13 VAL 82 1.647 -9.117 0.071 604 HG21 VAL 82 HG21 VAL 82 0.730 -7.360 1.561 605 HG22 VAL 82 HG22 VAL 82 -1.007 -7.364 2.006 606 HG23 VAL 82 HG23 VAL 82 0.101 -8.565 2.682 607 H ASP 83 H ASP 83 -1.222 -5.663 -0.497 608 HA ASP 83 HA ASP 83 -4.004 -5.780 0.508 609 HB2 ASP 83 HB2 ASP 83 -2.091 -4.236 1.379 610 HB3 ASP 83 HB3 ASP 83 -2.355 -3.309 -0.127 611 H THR 84 H THR 84 -3.058 -6.554 -2.281 612 HA THR 84 HA THR 84 -3.652 -6.486 -4.410 613 HB THR 84 HB THR 84 -5.927 -5.843 -5.080 614 HG1 THR 84 HG1 THR 84 -5.758 -4.339 -2.697 615 HG21 THR 84 HG21 THR 84 -5.905 -6.996 -2.248 616 HG22 THR 84 HG22 THR 84 -5.631 -7.945 -3.749 617 HG23 THR 84 HG23 THR 84 -7.212 -7.143 -3.449 618 H HIS 85 H HIS 85 -2.651 -3.506 -3.246 619 HA HIS 85 HA HIS 85 -3.420 -1.964 -5.589 620 HB2 HIS 85 HB2 HIS 85 -1.495 -1.343 -3.323 621 HB3 HIS 85 HB3 HIS 85 -2.016 -0.216 -4.573 622 HD1 HIS 85 HD1 HIS 85 -4.721 0.289 -4.569 623 HD2 HIS 85 HD2 HIS 85 -3.079 -1.423 -1.160 624 HE1 HIS 85 HE1 HIS 85 -6.407 0.675 -2.701 625 H LYS 86 H LYS 86 -2.292 -1.874 -7.501 626 HA LYS 86 HA LYS 86 0.297 -3.084 -7.884 627 HB2 LYS 86 HB2 LYS 86 -1.607 -3.027 -9.489 628 HB3 LYS 86 HB3 LYS 86 -1.323 -1.304 -9.665 629 HG2 LYS 86 HG2 LYS 86 1.114 -2.902 -10.158 630 HG3 LYS 86 HG3 LYS 86 -0.221 -3.447 -11.154 631 HD2 LYS 86 HD2 LYS 86 0.775 -0.568 -11.088 632 HD3 LYS 86 HD3 LYS 86 1.211 -1.765 -12.274 633 HE2 LYS 86 HE2 LYS 86 -1.182 -2.031 -12.897 634 HE3 LYS 86 HE3 LYS 86 -1.570 -0.729 -11.746 635 HZ1 LYS 86 HZ1 LYS 86 -0.056 0.718 -12.952 636 HZ2 LYS 86 HZ2 LYS 86 -1.328 0.216 -13.896 637 HZ3 LYS 86 HZ3 LYS 86 0.184 -0.456 -14.094 638 H SER 87 H SER 87 2.334 -2.196 -8.301 639 HA SER 87 HA SER 87 2.603 0.795 -8.503 640 HB2 SER 87 HB2 SER 87 4.268 -1.057 -6.754 641 HB3 SER 87 HB3 SER 87 4.635 0.664 -7.064 642 HG SER 87 HG SER 87 2.895 1.284 -5.932 643 H ASN 88 H ASN 88 4.728 1.352 -9.563 644 HA ASN 88 HA ASN 88 5.910 -0.920 -11.048 645 HB2 ASN 88 HB2 ASN 88 5.934 0.307 -13.113 646 HB3 ASN 88 HB3 ASN 88 4.272 0.249 -12.511 647 HD21 ASN 88 HD21 ASN 88 6.297 2.195 -14.057 648 HD22 ASN 88 HD22 ASN 88 5.796 3.736 -13.409 649 H GLY 89 H GLY 89 7.991 -0.311 -12.227 650 HA2 GLY 89 HA2 GLY 89 9.342 2.105 -11.656 651 HA3 GLY 89 HA3 GLY 89 9.859 0.915 -10.464 652 H GLU 90 H GLU 90 11.864 1.787 -11.955 653 HA GLU 90 HA GLU 90 12.523 -0.567 -13.626 654 HB2 GLU 90 HB2 GLU 90 13.220 0.674 -15.592 655 HB3 GLU 90 HB3 GLU 90 11.525 1.064 -15.257 656 HG2 GLU 90 HG2 GLU 90 12.215 3.276 -14.329 657 HG3 GLU 90 HG3 GLU 90 13.916 2.828 -14.588 658 H TYR 91 H TYR 91 14.849 -0.822 -14.005 659 HA TYR 91 HA TYR 91 16.557 1.287 -12.963 660 HB2 TYR 91 HB2 TYR 91 17.777 -0.120 -11.354 661 HB3 TYR 91 HB3 TYR 91 16.095 0.070 -10.860 662 HD1 TYR 91 HD1 TYR 91 18.732 -2.297 -11.905 663 HD2 TYR 91 HD2 TYR 91 14.558 -1.873 -10.937 664 HE1 TYR 91 HE1 TYR 91 18.598 -4.775 -11.520 665 HE2 TYR 91 HE2 TYR 91 14.403 -4.366 -10.583 666 HH TYR 91 HH TYR 91 15.585 -6.388 -10.598 667 H SER 92 H SER 92 18.874 0.784 -13.510 668 HA SER 92 HA SER 92 19.132 -1.333 -15.603 669 HB2 SER 92 HB2 SER 92 20.543 0.233 -16.938 670 HB3 SER 92 HB3 SER 92 18.897 0.886 -16.680 671 HG SER 92 HG SER 92 21.137 1.533 -15.025 672 H PHE 93 H PHE 93 21.287 -2.158 -15.918 673 HA PHE 93 HA PHE 93 23.379 -1.369 -13.999 674 HB2 PHE 93 HB2 PHE 93 23.533 -3.454 -12.802 675 HB3 PHE 93 HB3 PHE 93 21.909 -2.804 -12.589 676 HD1 PHE 93 HD1 PHE 93 23.948 -5.467 -14.133 677 HD2 PHE 93 HD2 PHE 93 19.939 -3.992 -13.583 678 HE1 PHE 93 HE1 PHE 93 22.993 -7.643 -15.013 679 HE2 PHE 93 HE2 PHE 93 18.991 -6.132 -14.351 680 HZ PHE 93 HZ PHE 93 20.526 -7.958 -15.064 681 H LYS 94 H LYS 94 25.340 -2.882 -14.356 682 HA LYS 94 HA LYS 94 25.263 -3.826 -17.183 683 HB2 LYS 94 HB2 LYS 94 26.322 -1.581 -16.988 684 HB3 LYS 94 HB3 LYS 94 27.508 -2.229 -15.855 685 HG2 LYS 94 HG2 LYS 94 28.410 -3.641 -17.719 686 HG3 LYS 94 HG3 LYS 94 27.206 -2.962 -18.840 687 HD2 LYS 94 HD2 LYS 94 28.145 -0.640 -18.413 688 HD3 LYS 94 HD3 LYS 94 29.400 -1.378 -17.389 689 HE2 LYS 94 HE2 LYS 94 30.160 -2.734 -19.365 690 HE3 LYS 94 HE3 LYS 94 28.934 -1.967 -20.383 691 HZ1 LYS 94 HZ1 LYS 94 30.079 0.180 -19.733 692 HZ2 LYS 94 HZ2 LYS 94 30.873 -0.814 -20.800 693 HZ3 LYS 94 HZ3 LYS 94 31.333 -0.753 -19.212 694 H VAL 95 H VAL 95 26.197 -5.738 -17.612 695 HA VAL 95 HA VAL 95 27.437 -7.107 -15.219 696 HB VAL 95 HB VAL 95 26.853 -8.189 -18.026 697 HG11 VAL 95 HG11 VAL 95 27.305 -10.429 -17.037 698 HG12 VAL 95 HG12 VAL 95 28.777 -9.408 -17.079 699 HG13 VAL 95 HG13 VAL 95 27.876 -9.646 -15.547 700 HG21 VAL 95 HG21 VAL 95 25.463 -8.386 -15.314 701 HG22 VAL 95 HG22 VAL 95 24.784 -7.790 -16.898 702 HG23 VAL 95 HG23 VAL 95 25.142 -9.538 -16.665 703 H GLY 96 H GLY 96 29.615 -7.198 -14.891 704 HA2 GLY 96 HA2 GLY 96 31.567 -7.169 -16.979 705 HA3 GLY 96 HA3 GLY 96 31.371 -5.527 -16.350 706 H GLN 97 H GLN 97 31.052 -8.554 -14.513 707 HA GLN 97 HA GLN 97 32.002 -9.367 -12.611 708 HB2 GLN 97 HB2 GLN 97 34.016 -9.468 -14.110 709 HB3 GLN 97 HB3 GLN 97 34.560 -7.926 -13.420 710 HG2 GLN 97 HG2 GLN 97 34.591 -8.943 -11.169 711 HG3 GLN 97 HG3 GLN 97 34.017 -10.498 -11.811 712 HE21 GLN 97 HE21 GLN 97 35.502 -11.937 -12.083 713 HE22 GLN 97 HE22 GLN 97 37.175 -11.647 -12.380 Start of MODEL 17 1 H1 HIS 1 H1 HIS 1 2.876 2.865 -1.053 2 H2 HIS 1 H2 HIS 1 1.243 2.471 -1.218 3 H3 HIS 1 H3 HIS 1 2.173 1.679 -0.070 4 HA HIS 1 HA HIS 1 1.797 0.280 -2.025 5 HB2 HIS 1 HB2 HIS 1 3.294 2.540 -3.401 6 HB3 HIS 1 HB3 HIS 1 2.976 0.947 -4.141 7 HD1 HIS 1 HD1 HIS 1 1.270 4.227 -3.092 8 HD2 HIS 1 HD2 HIS 1 0.366 0.607 -5.006 9 HE1 HIS 1 HE1 HIS 1 -0.986 4.507 -4.169 10 H ALA 2 H ALA 2 3.565 -1.135 -2.836 11 HA ALA 2 HA ALA 2 5.713 -1.257 -0.912 12 HB1 ALA 2 HB1 ALA 2 5.316 -2.784 -3.536 13 HB2 ALA 2 HB2 ALA 2 6.415 -3.256 -2.214 14 HB3 ALA 2 HB3 ALA 2 4.650 -3.291 -1.981 15 H HIS 3 H HIS 3 7.850 -0.650 -1.137 16 HA HIS 3 HA HIS 3 8.760 0.369 -3.801 17 HB2 HIS 3 HB2 HIS 3 9.243 1.686 -1.098 18 HB3 HIS 3 HB3 HIS 3 9.993 2.145 -2.701 19 HD1 HIS 3 HD1 HIS 3 8.173 2.915 -4.618 20 HD2 HIS 3 HD2 HIS 3 6.860 2.930 -0.638 21 HE1 HIS 3 HE1 HIS 3 6.093 4.345 -4.487 22 H LEU 4 H LEU 4 10.969 0.055 -4.276 23 HA LEU 4 HA LEU 4 12.148 -2.319 -3.122 24 HB2 LEU 4 HB2 LEU 4 12.391 -1.507 -5.485 25 HB3 LEU 4 HB3 LEU 4 13.291 -0.177 -4.916 26 HG LEU 4 HG LEU 4 15.057 -1.801 -4.129 27 HD11 LEU 4 HD11 LEU 4 14.897 -4.104 -5.065 28 HD12 LEU 4 HD12 LEU 4 13.228 -3.795 -5.537 29 HD13 LEU 4 HD13 LEU 4 13.678 -3.780 -3.825 30 HD21 LEU 4 HD21 LEU 4 15.819 -2.360 -6.390 31 HD22 LEU 4 HD22 LEU 4 15.180 -0.685 -6.294 32 HD23 LEU 4 HD23 LEU 4 14.199 -1.953 -7.042 33 H LYS 5 H LYS 5 13.659 -2.453 -1.415 34 HA LYS 5 HA LYS 5 14.825 0.141 -0.467 35 HB2 LYS 5 HB2 LYS 5 14.359 -2.399 1.127 36 HB3 LYS 5 HB3 LYS 5 15.163 -0.918 1.713 37 HG2 LYS 5 HG2 LYS 5 12.958 0.295 1.153 38 HG3 LYS 5 HG3 LYS 5 12.224 -1.305 0.886 39 HD2 LYS 5 HD2 LYS 5 13.584 -0.457 3.488 40 HD3 LYS 5 HD3 LYS 5 11.840 -0.442 3.195 41 HE2 LYS 5 HE2 LYS 5 11.965 -2.912 2.780 42 HE3 LYS 5 HE3 LYS 5 13.676 -2.884 3.215 43 HZ1 LYS 5 HZ1 LYS 5 11.466 -2.134 5.007 44 HZ2 LYS 5 HZ2 LYS 5 13.069 -2.004 5.376 45 HZ3 LYS 5 HZ3 LYS 5 12.405 -3.498 5.129 46 H SER 6 H SER 6 15.557 -3.098 -1.578 47 HA SER 6 HA SER 6 18.420 -2.515 -1.678 48 HB2 SER 6 HB2 SER 6 18.262 -3.334 0.646 49 HB3 SER 6 HB3 SER 6 17.392 -4.792 0.088 50 HG SER 6 HG SER 6 19.593 -5.195 0.373 51 H ALA 7 H ALA 7 19.455 -4.067 -3.094 52 HA ALA 7 HA ALA 7 17.839 -6.140 -4.332 53 HB1 ALA 7 HB1 ALA 7 17.166 -3.888 -5.431 54 HB2 ALA 7 HB2 ALA 7 18.815 -3.838 -6.128 55 HB3 ALA 7 HB3 ALA 7 17.692 -5.160 -6.543 56 H THR 8 H THR 8 18.804 -7.250 -6.028 57 HA THR 8 HA THR 8 21.710 -7.803 -5.817 58 HB THR 8 HB THR 8 19.395 -9.074 -7.404 59 HG1 THR 8 HG1 THR 8 19.070 -9.084 -5.123 60 HG21 THR 8 HG21 THR 8 21.309 -9.995 -8.315 61 HG22 THR 8 HG22 THR 8 20.789 -11.166 -7.088 62 HG23 THR 8 HG23 THR 8 22.141 -10.074 -6.726 63 HA PRO 9 HA PRO 9 23.458 -5.527 -9.365 64 HB2 PRO 9 HB2 PRO 9 21.404 -6.612 -11.238 65 HB3 PRO 9 HB3 PRO 9 23.183 -6.407 -11.410 66 HG2 PRO 9 HG2 PRO 9 21.769 -8.811 -10.030 67 HG3 PRO 9 HG3 PRO 9 23.472 -8.736 -10.645 68 HD2 PRO 9 HD2 PRO 9 22.993 -8.604 -7.910 69 HD3 PRO 9 HD3 PRO 9 24.094 -7.398 -8.639 70 H ALA 10 H ALA 10 22.650 -4.080 -7.850 71 HA ALA 10 HA ALA 10 20.336 -2.492 -8.130 72 HB1 ALA 10 HB1 ALA 10 21.339 -1.091 -6.494 73 HB2 ALA 10 HB2 ALA 10 21.752 -2.783 -6.098 74 HB3 ALA 10 HB3 ALA 10 23.010 -1.722 -6.827 75 H ALA 11 H ALA 11 20.448 -0.081 -8.567 76 HA ALA 11 HA ALA 11 21.297 0.294 -11.222 77 HB1 ALA 11 HB1 ALA 11 19.537 1.691 -10.332 78 HB2 ALA 11 HB2 ALA 11 20.588 2.294 -9.047 79 HB3 ALA 11 HB3 ALA 11 20.895 2.753 -10.724 80 H ASP 12 H ASP 12 22.882 1.303 -12.232 81 HA ASP 12 HA ASP 12 24.946 2.000 -12.791 82 HB2 ASP 12 HB2 ASP 12 25.045 3.077 -9.948 83 HB3 ASP 12 HB3 ASP 12 26.168 3.570 -11.234 84 H SER 13 H SER 13 24.552 -0.617 -10.958 85 HA SER 13 HA SER 13 27.348 -0.880 -10.063 86 HB2 SER 13 HB2 SER 13 26.692 -3.115 -9.270 87 HB3 SER 13 HB3 SER 13 25.476 -1.954 -8.760 88 HG SER 13 HG SER 13 24.123 -2.719 -10.336 89 H THR 14 H THR 14 28.881 -2.496 -10.824 90 HA THR 14 HA THR 14 28.216 -3.689 -13.470 91 HB THR 14 HB THR 14 30.948 -2.833 -12.550 92 HG1 THR 14 HG1 THR 14 30.662 -1.250 -14.227 93 HG21 THR 14 HG21 THR 14 30.829 -4.804 -14.116 94 HG22 THR 14 HG22 THR 14 31.687 -3.381 -14.748 95 HG23 THR 14 HG23 THR 14 30.018 -3.740 -15.290 96 H VAL 15 H VAL 15 27.793 -5.846 -13.039 97 HA VAL 15 HA VAL 15 29.481 -7.242 -11.015 98 HB VAL 15 HB VAL 15 27.419 -8.426 -10.281 99 HG11 VAL 15 HG11 VAL 15 26.450 -6.571 -8.995 100 HG12 VAL 15 HG12 VAL 15 28.186 -6.387 -9.112 101 HG13 VAL 15 HG13 VAL 15 27.153 -5.380 -10.094 102 HG21 VAL 15 HG21 VAL 15 25.907 -6.439 -12.066 103 HG22 VAL 15 HG22 VAL 15 26.085 -8.182 -12.404 104 HG23 VAL 15 HG23 VAL 15 25.200 -7.622 -10.964 105 H ALA 16 H ALA 16 29.355 -9.654 -11.103 106 HA ALA 16 HA ALA 16 29.643 -10.696 -13.809 107 HB1 ALA 16 HB1 ALA 16 29.904 -12.840 -12.684 108 HB2 ALA 16 HB2 ALA 16 30.821 -11.630 -11.759 109 HB3 ALA 16 HB3 ALA 16 29.235 -12.140 -11.167 110 H ALA 17 H ALA 17 28.068 -12.405 -14.671 111 HA ALA 17 HA ALA 17 25.377 -11.422 -14.421 112 HB1 ALA 17 HB1 ALA 17 24.732 -13.561 -15.563 113 HB2 ALA 17 HB2 ALA 17 25.960 -12.588 -16.407 114 HB3 ALA 17 HB3 ALA 17 26.464 -14.005 -15.503 115 HA PRO 18 HA PRO 18 24.553 -13.432 -10.591 116 HB2 PRO 18 HB2 PRO 18 21.930 -12.803 -10.230 117 HB3 PRO 18 HB3 PRO 18 23.195 -11.541 -10.153 118 HG2 PRO 18 HG2 PRO 18 21.463 -12.375 -12.457 119 HG3 PRO 18 HG3 PRO 18 21.690 -10.727 -11.801 120 HD2 PRO 18 HD2 PRO 18 23.053 -11.632 -13.923 121 HD3 PRO 18 HD3 PRO 18 23.843 -10.544 -12.742 122 H ALA 19 H ALA 19 23.338 -15.299 -9.659 123 HA ALA 19 HA ALA 19 22.669 -17.225 -11.745 124 HB1 ALA 19 HB1 ALA 19 23.664 -18.014 -9.573 125 HB2 ALA 19 HB2 ALA 19 22.286 -17.364 -8.686 126 HB3 ALA 19 HB3 ALA 19 22.057 -18.725 -9.775 127 H ASP 20 H ASP 20 20.987 -15.159 -9.399 128 HA ASP 20 HA ASP 20 18.530 -15.110 -11.041 129 HB2 ASP 20 HB2 ASP 20 17.064 -15.760 -9.206 130 HB3 ASP 20 HB3 ASP 20 18.171 -17.057 -9.579 131 H LEU 21 H LEU 21 17.088 -13.269 -10.043 132 HA LEU 21 HA LEU 21 18.936 -11.299 -8.716 133 HB2 LEU 21 HB2 LEU 21 16.436 -10.722 -10.389 134 HB3 LEU 21 HB3 LEU 21 17.453 -9.539 -9.543 135 HG LEU 21 HG LEU 21 19.331 -10.029 -11.065 136 HD11 LEU 21 HD11 LEU 21 17.288 -11.766 -12.569 137 HD12 LEU 21 HD12 LEU 21 18.872 -12.276 -11.944 138 HD13 LEU 21 HD13 LEU 21 18.790 -11.149 -13.276 139 HD21 LEU 21 HD21 LEU 21 16.760 -9.211 -12.419 140 HD22 LEU 21 HD22 LEU 21 18.409 -8.894 -13.035 141 HD23 LEU 21 HD23 LEU 21 17.862 -8.134 -11.494 142 H ARG 22 H ARG 22 18.358 -10.589 -6.702 143 HA ARG 22 HA ARG 22 15.678 -11.409 -5.645 144 HB2 ARG 22 HB2 ARG 22 17.645 -12.501 -4.576 145 HB3 ARG 22 HB3 ARG 22 18.303 -10.951 -4.167 146 HG2 ARG 22 HG2 ARG 22 16.407 -10.474 -2.724 147 HG3 ARG 22 HG3 ARG 22 15.729 -12.087 -3.079 148 HD2 ARG 22 HD2 ARG 22 17.900 -13.066 -2.210 149 HD3 ARG 22 HD3 ARG 22 18.458 -11.410 -1.929 150 HE ARG 22 HE ARG 22 16.087 -11.727 -0.458 151 HH11 ARG 22 HH11 ARG 22 19.421 -12.885 -0.380 152 HH12 ARG 22 HH12 ARG 22 19.437 -13.012 1.363 153 HH21 ARG 22 HH21 ARG 22 16.130 -12.017 1.700 154 HH22 ARG 22 HH22 ARG 22 17.570 -12.565 2.546 155 H LEU 23 H LEU 23 14.347 -9.814 -5.332 156 HA LEU 23 HA LEU 23 15.404 -7.047 -4.926 157 HB2 LEU 23 HB2 LEU 23 12.728 -7.956 -6.023 158 HB3 LEU 23 HB3 LEU 23 13.221 -6.281 -5.736 159 HG LEU 23 HG LEU 23 14.934 -6.475 -7.491 160 HD11 LEU 23 HD11 LEU 23 14.551 -8.347 -9.198 161 HD12 LEU 23 HD12 LEU 23 13.694 -9.236 -7.880 162 HD13 LEU 23 HD13 LEU 23 15.471 -8.784 -7.751 163 HD21 LEU 23 HD21 LEU 23 12.060 -7.092 -8.267 164 HD22 LEU 23 HD22 LEU 23 13.329 -6.376 -9.344 165 HD23 LEU 23 HD23 LEU 23 12.784 -5.483 -7.921 166 H THR 24 H THR 24 14.719 -5.972 -2.986 167 HA THR 24 HA THR 24 12.896 -7.604 -1.211 168 HB THR 24 HB THR 24 15.157 -5.773 -0.324 169 HG1 THR 24 HG1 THR 24 15.983 -7.706 -1.210 170 HG21 THR 24 HG21 THR 24 13.479 -5.844 1.392 171 HG22 THR 24 HG22 THR 24 14.708 -7.056 1.851 172 HG23 THR 24 HG23 THR 24 13.176 -7.571 1.123 173 H PHE 25 H PHE 25 11.028 -6.551 -0.720 174 HA PHE 25 HA PHE 25 10.998 -3.588 -1.212 175 HB2 PHE 25 HB2 PHE 25 8.690 -5.607 -1.438 176 HB3 PHE 25 HB3 PHE 25 8.594 -3.876 -1.724 177 HD1 PHE 25 HD1 PHE 25 9.370 -2.839 -3.755 178 HD2 PHE 25 HD2 PHE 25 9.828 -7.062 -3.065 179 HE1 PHE 25 HE1 PHE 25 9.908 -3.132 -6.173 180 HE2 PHE 25 HE2 PHE 25 10.426 -7.384 -5.485 181 HZ PHE 25 HZ PHE 25 10.405 -5.399 -7.081 182 H SER 26 H SER 26 9.444 -2.332 -0.049 183 HA SER 26 HA SER 26 9.654 -2.786 2.796 184 HB2 SER 26 HB2 SER 26 8.544 -0.549 2.893 185 HB3 SER 26 HB3 SER 26 9.857 -0.560 1.721 186 HG SER 26 HG SER 26 7.504 0.172 1.173 187 H GLU 27 H GLU 27 7.315 -3.848 0.575 188 HA GLU 27 HA GLU 27 5.472 -4.549 2.787 189 HB2 GLU 27 HB2 GLU 27 4.565 -2.445 1.759 190 HB3 GLU 27 HB3 GLU 27 4.644 -3.234 0.180 191 HG2 GLU 27 HG2 GLU 27 2.376 -3.301 0.778 192 HG3 GLU 27 HG3 GLU 27 2.937 -4.948 1.065 193 H GLY 28 H GLY 28 4.407 -6.610 2.245 194 HA2 GLY 28 HA2 GLY 28 5.959 -8.196 0.438 195 HA3 GLY 28 HA3 GLY 28 4.476 -8.703 1.292 196 H VAL 29 H VAL 29 5.301 -9.253 -1.546 197 HA VAL 29 HA VAL 29 2.976 -7.895 -2.845 198 HB VAL 29 HB VAL 29 4.280 -8.010 -4.967 199 HG11 VAL 29 HG11 VAL 29 5.734 -6.534 -2.696 200 HG12 VAL 29 HG12 VAL 29 5.978 -6.179 -4.450 201 HG13 VAL 29 HG13 VAL 29 4.404 -5.922 -3.665 202 HG21 VAL 29 HG21 VAL 29 6.656 -8.625 -5.047 203 HG22 VAL 29 HG22 VAL 29 6.705 -8.922 -3.303 204 HG23 VAL 29 HG23 VAL 29 5.740 -9.995 -4.340 205 H GLU 30 H GLU 30 1.912 -9.179 -4.575 206 HA GLU 30 HA GLU 30 2.097 -12.058 -3.938 207 HB2 GLU 30 HB2 GLU 30 -0.050 -10.626 -5.553 208 HB3 GLU 30 HB3 GLU 30 0.039 -12.366 -5.225 209 HG2 GLU 30 HG2 GLU 30 -0.024 -11.898 -2.792 210 HG3 GLU 30 HG3 GLU 30 -0.307 -10.161 -3.175 211 H ALA 31 H ALA 31 3.045 -13.457 -5.224 212 HA ALA 31 HA ALA 31 4.573 -12.518 -7.394 213 HB1 ALA 31 HB1 ALA 31 5.347 -14.393 -6.080 214 HB2 ALA 31 HB2 ALA 31 3.950 -15.333 -6.586 215 HB3 ALA 31 HB3 ALA 31 5.188 -14.887 -7.767 216 H THR 32 H THR 32 1.409 -13.977 -7.416 217 HA THR 32 HA THR 32 1.397 -14.991 -10.059 218 HB THR 32 HB THR 32 -0.916 -13.880 -8.384 219 HG1 THR 32 HG1 THR 32 -0.965 -16.100 -7.632 220 HG21 THR 32 HG21 THR 32 -1.748 -14.491 -10.627 221 HG22 THR 32 HG22 THR 32 -2.161 -15.795 -9.537 222 HG23 THR 32 HG23 THR 32 -0.819 -15.971 -10.613 223 H PHE 33 H PHE 33 0.690 -11.650 -8.939 224 HA PHE 33 HA PHE 33 0.044 -11.001 -11.775 225 HB2 PHE 33 HB2 PHE 33 -0.619 -9.388 -9.282 226 HB3 PHE 33 HB3 PHE 33 -1.030 -8.967 -10.961 227 HD1 PHE 33 HD1 PHE 33 -2.675 -10.273 -12.239 228 HD2 PHE 33 HD2 PHE 33 -1.931 -10.981 -8.052 229 HE1 PHE 33 HE1 PHE 33 -4.794 -11.578 -12.098 230 HE2 PHE 33 HE2 PHE 33 -3.979 -12.362 -7.934 231 HZ PHE 33 HZ PHE 33 -5.425 -12.622 -9.952 232 H THR 34 H THR 34 2.571 -10.923 -9.591 233 HA THR 34 HA THR 34 3.713 -8.353 -10.348 234 HB THR 34 HB THR 34 5.090 -10.813 -9.241 235 HG1 THR 34 HG1 THR 34 3.819 -10.077 -7.579 236 HG21 THR 34 HG21 THR 34 6.655 -9.191 -10.306 237 HG22 THR 34 HG22 THR 34 6.929 -9.395 -8.588 238 HG23 THR 34 HG23 THR 34 6.086 -7.961 -9.185 239 H LYS 35 H LYS 35 4.977 -7.932 -12.181 240 HA LYS 35 HA LYS 35 5.719 -10.262 -13.859 241 HB2 LYS 35 HB2 LYS 35 3.587 -9.328 -14.670 242 HB3 LYS 35 HB3 LYS 35 4.358 -7.762 -14.904 243 HG2 LYS 35 HG2 LYS 35 4.215 -8.792 -17.038 244 HG3 LYS 35 HG3 LYS 35 5.905 -8.829 -16.572 245 HD2 LYS 35 HD2 LYS 35 5.673 -11.181 -15.856 246 HD3 LYS 35 HD3 LYS 35 3.960 -11.124 -16.356 247 HE2 LYS 35 HE2 LYS 35 4.630 -10.595 -18.649 248 HE3 LYS 35 HE3 LYS 35 6.343 -10.651 -18.196 249 HZ1 LYS 35 HZ1 LYS 35 5.549 -12.698 -19.215 250 HZ2 LYS 35 HZ2 LYS 35 4.506 -12.945 -17.942 251 HZ3 LYS 35 HZ3 LYS 35 6.126 -12.917 -17.695 252 H VAL 36 H VAL 36 7.814 -10.164 -14.628 253 HA VAL 36 HA VAL 36 9.186 -7.545 -14.399 254 HB VAL 36 HB VAL 36 10.301 -10.265 -13.670 255 HG11 VAL 36 HG11 VAL 36 12.076 -8.859 -14.745 256 HG12 VAL 36 HG12 VAL 36 11.596 -7.464 -13.725 257 HG13 VAL 36 HG13 VAL 36 12.336 -8.889 -12.987 258 HG21 VAL 36 HG21 VAL 36 9.640 -7.827 -11.929 259 HG22 VAL 36 HG22 VAL 36 8.823 -9.380 -11.875 260 HG23 VAL 36 HG23 VAL 36 10.506 -9.245 -11.369 261 H SER 37 H SER 37 10.247 -6.946 -16.179 262 HA SER 37 HA SER 37 10.818 -8.950 -18.232 263 HB2 SER 37 HB2 SER 37 9.837 -6.096 -18.617 264 HB3 SER 37 HB3 SER 37 10.373 -7.171 -19.920 265 HG SER 37 HG SER 37 8.159 -7.335 -19.713 266 H LEU 38 H LEU 38 12.795 -8.706 -19.242 267 HA LEU 38 HA LEU 38 14.707 -6.744 -18.037 268 HB2 LEU 38 HB2 LEU 38 14.978 -9.031 -17.071 269 HB3 LEU 38 HB3 LEU 38 15.082 -9.692 -18.704 270 HG LEU 38 HG LEU 38 17.240 -8.519 -19.064 271 HD11 LEU 38 HD11 LEU 38 17.015 -6.670 -17.486 272 HD12 LEU 38 HD12 LEU 38 18.470 -7.629 -17.179 273 HD13 LEU 38 HD13 LEU 38 17.066 -7.847 -16.129 274 HD21 LEU 38 HD21 LEU 38 18.578 -9.976 -17.637 275 HD22 LEU 38 HD22 LEU 38 17.164 -10.839 -18.220 276 HD23 LEU 38 HD23 LEU 38 17.182 -10.244 -16.561 277 H SER 39 H SER 39 16.023 -5.743 -19.615 278 HA SER 39 HA SER 39 15.881 -7.005 -22.310 279 HB2 SER 39 HB2 SER 39 15.555 -4.804 -23.362 280 HB3 SER 39 HB3 SER 39 14.244 -5.089 -22.184 281 HG SER 39 HG SER 39 15.094 -2.999 -21.925 282 H LYS 40 H LYS 40 17.567 -6.579 -23.664 283 HA LYS 40 HA LYS 40 20.040 -5.439 -22.372 284 HB2 LYS 40 HB2 LYS 40 21.407 -7.120 -23.553 285 HB3 LYS 40 HB3 LYS 40 20.262 -7.885 -22.460 286 HG2 LYS 40 HG2 LYS 40 19.589 -9.241 -24.148 287 HG3 LYS 40 HG3 LYS 40 18.904 -7.831 -24.964 288 HD2 LYS 40 HD2 LYS 40 20.362 -8.826 -26.547 289 HD3 LYS 40 HD3 LYS 40 21.275 -7.461 -25.901 290 HE2 LYS 40 HE2 LYS 40 22.768 -9.395 -26.036 291 HE3 LYS 40 HE3 LYS 40 22.426 -9.078 -24.329 292 HZ1 LYS 40 HZ1 LYS 40 22.257 -11.437 -25.089 293 HZ2 LYS 40 HZ2 LYS 40 20.910 -11.016 -25.917 294 HZ3 LYS 40 HZ3 LYS 40 20.897 -10.892 -24.259 295 H ASP 41 H ASP 41 20.934 -3.801 -23.578 296 HA ASP 41 HA ASP 41 21.219 -2.375 -25.334 297 HB2 ASP 41 HB2 ASP 41 20.800 -4.847 -27.029 298 HB3 ASP 41 HB3 ASP 41 21.431 -3.336 -27.617 299 H GLY 42 H GLY 42 18.417 -2.941 -24.293 300 HA2 GLY 42 HA2 GLY 42 16.380 -1.917 -24.717 301 HA3 GLY 42 HA3 GLY 42 16.953 -1.444 -26.333 302 H THR 43 H THR 43 17.321 -4.812 -25.687 303 HA THR 43 HA THR 43 14.744 -5.411 -27.115 304 HB THR 43 HB THR 43 17.385 -6.951 -27.203 305 HG1 THR 43 HG1 THR 43 17.319 -4.805 -28.288 306 HG21 THR 43 HG21 THR 43 14.899 -7.209 -28.841 307 HG22 THR 43 HG22 THR 43 15.443 -8.329 -27.582 308 HG23 THR 43 HG23 THR 43 16.415 -8.114 -29.075 309 H GLU 44 H GLU 44 13.361 -6.739 -25.983 310 HA GLU 44 HA GLU 44 13.859 -7.475 -23.274 311 HB2 GLU 44 HB2 GLU 44 11.751 -8.457 -25.199 312 HB3 GLU 44 HB3 GLU 44 11.781 -8.719 -23.444 313 HG2 GLU 44 HG2 GLU 44 11.726 -6.265 -23.152 314 HG3 GLU 44 HG3 GLU 44 11.497 -6.016 -24.892 315 H VAL 45 H VAL 45 14.221 -9.328 -22.233 316 HA VAL 45 HA VAL 45 15.428 -11.630 -23.765 317 HB VAL 45 HB VAL 45 16.100 -10.404 -20.980 318 HG11 VAL 45 HG11 VAL 45 16.465 -12.845 -20.953 319 HG12 VAL 45 HG12 VAL 45 17.482 -12.742 -22.393 320 HG13 VAL 45 HG13 VAL 45 18.002 -11.969 -20.904 321 HG21 VAL 45 HG21 VAL 45 17.647 -10.394 -23.609 322 HG22 VAL 45 HG22 VAL 45 16.967 -9.004 -22.747 323 HG23 VAL 45 HG23 VAL 45 18.330 -9.935 -22.035 324 H ALA 46 H ALA 46 14.742 -13.693 -23.114 325 HA ALA 46 HA ALA 46 12.215 -13.856 -21.816 326 HB1 ALA 46 HB1 ALA 46 12.847 -15.478 -23.540 327 HB2 ALA 46 HB2 ALA 46 14.276 -15.962 -22.603 328 HB3 ALA 46 HB3 ALA 46 12.675 -16.380 -22.015 329 H ILE 47 H ILE 47 11.530 -14.780 -19.907 330 HA ILE 47 HA ILE 47 13.549 -14.940 -17.722 331 HB ILE 47 HB ILE 47 10.675 -13.918 -17.604 332 HG12 ILE 47 HG12 ILE 47 12.252 -12.285 -18.652 333 HG13 ILE 47 HG13 ILE 47 11.673 -11.731 -17.080 334 HG21 ILE 47 HG21 ILE 47 11.049 -14.924 -15.469 335 HG22 ILE 47 HG22 ILE 47 12.725 -14.294 -15.393 336 HG23 ILE 47 HG23 ILE 47 11.322 -13.229 -15.243 337 HD11 ILE 47 HD11 ILE 47 14.087 -11.268 -17.404 338 HD12 ILE 47 HD12 ILE 47 13.833 -12.417 -16.066 339 HD13 ILE 47 HD13 ILE 47 14.432 -12.960 -17.641 340 H LYS 48 H LYS 48 13.574 -16.920 -16.568 341 HA LYS 48 HA LYS 48 11.988 -19.116 -17.557 342 HB2 LYS 48 HB2 LYS 48 14.216 -19.355 -16.441 343 HB3 LYS 48 HB3 LYS 48 13.466 -18.896 -14.912 344 HG2 LYS 48 HG2 LYS 48 12.012 -20.869 -15.025 345 HG3 LYS 48 HG3 LYS 48 12.834 -21.376 -16.515 346 HD2 LYS 48 HD2 LYS 48 14.181 -20.920 -13.799 347 HD3 LYS 48 HD3 LYS 48 13.650 -22.488 -14.445 348 HE2 LYS 48 HE2 LYS 48 15.193 -22.191 -16.394 349 HE3 LYS 48 HE3 LYS 48 15.801 -20.698 -15.642 350 HZ1 LYS 48 HZ1 LYS 48 16.469 -22.138 -13.727 351 HZ2 LYS 48 HZ2 LYS 48 17.235 -22.519 -15.113 352 HZ3 LYS 48 HZ3 LYS 48 16.021 -23.480 -14.577 353 H GLY 49 H GLY 49 11.744 -16.986 -14.671 354 HA2 GLY 49 HA2 GLY 49 8.951 -17.016 -14.535 355 HA3 GLY 49 HA3 GLY 49 9.483 -18.328 -13.502 356 H LEU 50 H LEU 50 8.330 -16.703 -11.899 357 HA LEU 50 HA LEU 50 10.544 -15.347 -10.551 358 HB2 LEU 50 HB2 LEU 50 9.487 -13.304 -10.119 359 HB3 LEU 50 HB3 LEU 50 9.566 -13.507 -11.874 360 HG LEU 50 HG LEU 50 7.064 -13.860 -10.187 361 HD11 LEU 50 HD11 LEU 50 8.048 -11.614 -10.109 362 HD12 LEU 50 HD12 LEU 50 6.477 -11.641 -10.999 363 HD13 LEU 50 HD13 LEU 50 7.997 -11.542 -11.904 364 HD21 LEU 50 HD21 LEU 50 5.871 -13.565 -12.366 365 HD22 LEU 50 HD22 LEU 50 6.814 -15.066 -12.259 366 HD23 LEU 50 HD23 LEU 50 7.438 -13.657 -13.189 367 H GLU 51 H GLU 51 10.243 -15.460 -8.286 368 HA GLU 51 HA GLU 51 7.696 -16.547 -7.266 369 HB2 GLU 51 HB2 GLU 51 8.691 -18.622 -6.522 370 HB3 GLU 51 HB3 GLU 51 8.911 -18.464 -8.264 371 HG2 GLU 51 HG2 GLU 51 11.265 -17.762 -7.878 372 HG3 GLU 51 HG3 GLU 51 11.029 -18.073 -6.157 373 H THR 52 H THR 52 7.856 -16.942 -4.825 374 HA THR 52 HA THR 52 9.862 -15.128 -3.572 375 HB THR 52 HB THR 52 8.159 -14.800 -1.753 376 HG1 THR 52 HG1 THR 52 7.021 -16.770 -2.307 377 HG21 THR 52 HG21 THR 52 6.949 -14.123 -4.450 378 HG22 THR 52 HG22 THR 52 8.289 -13.213 -3.696 379 HG23 THR 52 HG23 THR 52 6.686 -13.310 -2.935 380 HA PRO 53 HA PRO 53 10.489 -19.392 -2.031 381 HB2 PRO 53 HB2 PRO 53 13.152 -19.365 -1.567 382 HB3 PRO 53 HB3 PRO 53 12.505 -19.524 -3.196 383 HG2 PRO 53 HG2 PRO 53 13.539 -17.100 -1.738 384 HG3 PRO 53 HG3 PRO 53 13.918 -17.705 -3.381 385 HD2 PRO 53 HD2 PRO 53 12.047 -15.738 -2.989 386 HD3 PRO 53 HD3 PRO 53 11.892 -16.910 -4.327 387 H ASP 54 H ASP 54 11.446 -16.333 -0.506 388 HA ASP 54 HA ASP 54 11.983 -17.495 2.135 389 HB2 ASP 54 HB2 ASP 54 11.379 -14.662 1.144 390 HB3 ASP 54 HB3 ASP 54 11.637 -15.108 2.858 391 H ALA 55 H ALA 55 10.678 -17.239 3.961 392 HA ALA 55 HA ALA 55 7.964 -18.039 3.512 393 HB1 ALA 55 HB1 ALA 55 9.191 -18.595 5.595 394 HB2 ALA 55 HB2 ALA 55 9.270 -16.881 6.018 395 HB3 ALA 55 HB3 ALA 55 7.698 -17.702 5.940 396 H ASP 56 H ASP 56 9.483 -14.870 4.100 397 HA ASP 56 HA ASP 56 6.968 -13.493 4.236 398 HB2 ASP 56 HB2 ASP 56 9.780 -12.490 4.219 399 HB3 ASP 56 HB3 ASP 56 8.364 -11.444 4.373 400 H LYS 57 H LYS 57 5.970 -12.385 2.524 401 HA LYS 57 HA LYS 57 6.927 -12.924 -0.203 402 HB2 LYS 57 HB2 LYS 57 4.526 -11.736 1.187 403 HB3 LYS 57 HB3 LYS 57 4.913 -11.065 -0.416 404 HG2 LYS 57 HG2 LYS 57 3.326 -12.851 -0.692 405 HG3 LYS 57 HG3 LYS 57 4.897 -13.315 -1.410 406 HD2 LYS 57 HD2 LYS 57 5.344 -14.701 0.584 407 HD3 LYS 57 HD3 LYS 57 3.735 -14.278 1.210 408 HE2 LYS 57 HE2 LYS 57 2.740 -15.225 -0.933 409 HE3 LYS 57 HE3 LYS 57 4.364 -15.618 -1.456 410 HZ1 LYS 57 HZ1 LYS 57 4.571 -17.091 0.550 411 HZ2 LYS 57 HZ2 LYS 57 3.389 -17.582 -0.494 412 HZ3 LYS 57 HZ3 LYS 57 2.976 -16.796 0.895 413 H LYS 58 H LYS 58 8.107 -10.744 1.998 414 HA LYS 58 HA LYS 58 8.238 -8.349 0.324 415 HB2 LYS 58 HB2 LYS 58 9.959 -9.167 2.688 416 HB3 LYS 58 HB3 LYS 58 10.046 -7.597 1.856 417 HG2 LYS 58 HG2 LYS 58 7.698 -7.154 2.422 418 HG3 LYS 58 HG3 LYS 58 7.631 -8.669 3.355 419 HD2 LYS 58 HD2 LYS 58 9.523 -7.821 4.770 420 HD3 LYS 58 HD3 LYS 58 9.512 -6.295 3.843 421 HE2 LYS 58 HE2 LYS 58 7.112 -5.977 4.540 422 HE3 LYS 58 HE3 LYS 58 7.211 -7.445 5.477 423 HZ1 LYS 58 HZ1 LYS 58 8.871 -6.482 6.848 424 HZ2 LYS 58 HZ2 LYS 58 7.536 -5.506 6.834 425 HZ3 LYS 58 HZ3 LYS 58 8.879 -5.089 5.967 426 H THR 59 H THR 59 10.028 -11.300 0.579 427 HA THR 59 HA THR 59 12.190 -10.244 -1.150 428 HB THR 59 HB THR 59 11.607 -13.071 -0.205 429 HG1 THR 59 HG1 THR 59 13.252 -12.644 1.328 430 HG21 THR 59 HG21 THR 59 14.096 -11.849 -1.509 431 HG22 THR 59 HG22 THR 59 13.079 -13.179 -2.097 432 HG23 THR 59 HG23 THR 59 14.085 -13.409 -0.683 433 H LEU 60 H LEU 60 12.198 -10.454 -3.373 434 HA LEU 60 HA LEU 60 10.247 -12.329 -4.601 435 HB2 LEU 60 HB2 LEU 60 9.401 -10.016 -4.675 436 HB3 LEU 60 HB3 LEU 60 10.873 -9.519 -5.520 437 HG LEU 60 HG LEU 60 8.882 -9.544 -6.935 438 HD11 LEU 60 HD11 LEU 60 10.707 -11.740 -7.898 439 HD12 LEU 60 HD12 LEU 60 11.165 -10.010 -7.873 440 HD13 LEU 60 HD13 LEU 60 9.789 -10.566 -8.875 441 HD21 LEU 60 HD21 LEU 60 8.898 -12.561 -6.532 442 HD22 LEU 60 HD22 LEU 60 7.790 -11.625 -7.597 443 HD23 LEU 60 HD23 LEU 60 7.706 -11.406 -5.854 444 H VAL 61 H VAL 61 11.325 -13.727 -6.052 445 HA VAL 61 HA VAL 61 14.044 -12.874 -6.909 446 HB VAL 61 HB VAL 61 13.069 -15.618 -6.189 447 HG11 VAL 61 HG11 VAL 61 14.771 -15.751 -7.944 448 HG12 VAL 61 HG12 VAL 61 15.900 -14.816 -7.001 449 HG13 VAL 61 HG13 VAL 61 15.401 -16.435 -6.459 450 HG21 VAL 61 HG21 VAL 61 15.011 -13.769 -4.748 451 HG22 VAL 61 HG22 VAL 61 13.364 -14.282 -4.207 452 HG23 VAL 61 HG23 VAL 61 14.708 -15.451 -4.308 453 H VAL 62 H VAL 62 14.601 -12.859 -8.976 454 HA VAL 62 HA VAL 62 12.619 -14.000 -10.954 455 HB VAL 62 HB VAL 62 14.509 -11.626 -11.245 456 HG11 VAL 62 HG11 VAL 62 12.457 -12.797 -13.150 457 HG12 VAL 62 HG12 VAL 62 13.259 -11.248 -13.394 458 HG13 VAL 62 HG13 VAL 62 14.221 -12.748 -13.386 459 HG21 VAL 62 HG21 VAL 62 12.769 -10.937 -9.794 460 HG22 VAL 62 HG22 VAL 62 12.324 -10.311 -11.409 461 HG23 VAL 62 HG23 VAL 62 11.519 -11.794 -10.773 462 H THR 63 H THR 63 13.417 -15.512 -12.450 463 HA THR 63 HA THR 63 16.381 -15.913 -12.397 464 HB THR 63 HB THR 63 14.274 -18.056 -12.813 465 HG1 THR 63 HG1 THR 63 15.001 -18.683 -10.687 466 HG21 THR 63 HG21 THR 63 16.228 -19.565 -12.330 467 HG22 THR 63 HG22 THR 63 17.282 -18.130 -12.451 468 HG23 THR 63 HG23 THR 63 16.339 -18.661 -13.882 469 HA PRO 64 HA PRO 64 15.892 -14.834 -16.732 470 HB2 PRO 64 HB2 PRO 64 18.487 -14.987 -17.533 471 HB3 PRO 64 HB3 PRO 64 17.949 -13.690 -16.436 472 HG2 PRO 64 HG2 PRO 64 19.253 -16.285 -15.708 473 HG3 PRO 64 HG3 PRO 64 19.747 -14.629 -15.261 474 HD2 PRO 64 HD2 PRO 64 18.203 -16.122 -13.553 475 HD3 PRO 64 HD3 PRO 64 17.891 -14.361 -13.785 476 H ALA 65 H ALA 65 15.964 -15.908 -18.786 477 HA ALA 65 HA ALA 65 15.724 -18.791 -18.638 478 HB1 ALA 65 HB1 ALA 65 15.081 -18.701 -20.933 479 HB2 ALA 65 HB2 ALA 65 14.338 -17.303 -20.105 480 HB3 ALA 65 HB3 ALA 65 15.773 -17.077 -21.125 481 H ALA 66 H ALA 66 18.348 -16.681 -19.413 482 HA ALA 66 HA ALA 66 20.099 -18.973 -20.094 483 HB1 ALA 66 HB1 ALA 66 20.971 -17.793 -22.174 484 HB2 ALA 66 HB2 ALA 66 19.262 -18.284 -22.319 485 HB3 ALA 66 HB3 ALA 66 19.634 -16.597 -22.016 486 HA PRO 67 HA PRO 67 22.750 -16.448 -17.679 487 HB2 PRO 67 HB2 PRO 67 25.248 -16.848 -18.682 488 HB3 PRO 67 HB3 PRO 67 24.386 -18.121 -17.800 489 HG2 PRO 67 HG2 PRO 67 24.591 -17.643 -20.764 490 HG3 PRO 67 HG3 PRO 67 24.958 -19.118 -19.880 491 HD2 PRO 67 HD2 PRO 67 22.572 -18.830 -21.051 492 HD3 PRO 67 HD3 PRO 67 22.610 -19.495 -19.376 493 H LEU 68 H LEU 68 23.747 -14.348 -17.669 494 HA LEU 68 HA LEU 68 23.109 -12.886 -20.132 495 HB2 LEU 68 HB2 LEU 68 23.966 -11.783 -17.446 496 HB3 LEU 68 HB3 LEU 68 23.394 -10.855 -18.790 497 HG LEU 68 HG LEU 68 21.717 -12.823 -17.141 498 HD11 LEU 68 HD11 LEU 68 20.524 -10.720 -16.510 499 HD12 LEU 68 HD12 LEU 68 21.759 -9.798 -17.338 500 HD13 LEU 68 HD13 LEU 68 22.191 -10.781 -15.938 501 HD21 LEU 68 HD21 LEU 68 20.918 -11.110 -19.485 502 HD22 LEU 68 HD22 LEU 68 19.797 -11.876 -18.375 503 HD23 LEU 68 HD23 LEU 68 20.854 -12.877 -19.407 504 H ALA 69 H ALA 69 24.427 -11.919 -21.475 505 HA ALA 69 HA ALA 69 27.291 -12.477 -21.302 506 HB1 ALA 69 HB1 ALA 69 25.644 -10.880 -23.312 507 HB2 ALA 69 HB2 ALA 69 27.334 -11.424 -23.514 508 HB3 ALA 69 HB3 ALA 69 26.014 -12.614 -23.442 509 H ALA 70 H ALA 70 28.829 -10.554 -21.544 510 HA ALA 70 HA ALA 70 28.302 -8.487 -19.616 511 HB1 ALA 70 HB1 ALA 70 30.325 -8.570 -21.881 512 HB2 ALA 70 HB2 ALA 70 30.397 -7.521 -20.440 513 HB3 ALA 70 HB3 ALA 70 30.542 -9.275 -20.275 514 H GLY 71 H GLY 71 27.665 -6.300 -19.937 515 HA2 GLY 71 HA2 GLY 71 27.432 -4.658 -22.039 516 HA3 GLY 71 HA3 GLY 71 26.146 -5.820 -22.454 517 H ASN 72 H ASN 72 25.001 -3.504 -22.154 518 HA ASN 72 HA ASN 72 24.305 -3.079 -19.307 519 HB2 ASN 72 HB2 ASN 72 23.272 -0.993 -20.014 520 HB3 ASN 72 HB3 ASN 72 24.923 -1.094 -20.608 521 HD21 ASN 72 HD21 ASN 72 22.096 0.116 -21.414 522 HD22 ASN 72 HD22 ASN 72 22.136 -0.165 -23.137 523 H TYR 73 H TYR 73 22.371 -3.253 -18.460 524 HA TYR 73 HA TYR 73 20.184 -4.412 -20.066 525 HB2 TYR 73 HB2 TYR 73 21.201 -5.306 -17.369 526 HB3 TYR 73 HB3 TYR 73 19.727 -5.878 -18.142 527 HD1 TYR 73 HD1 TYR 73 23.456 -5.957 -18.552 528 HD2 TYR 73 HD2 TYR 73 19.668 -7.646 -19.754 529 HE1 TYR 73 HE1 TYR 73 24.602 -7.762 -19.818 530 HE2 TYR 73 HE2 TYR 73 20.862 -9.458 -20.979 531 HH TYR 73 HH TYR 73 24.407 -9.564 -21.111 532 H LYS 74 H LYS 74 18.066 -4.083 -19.276 533 HA LYS 74 HA LYS 74 17.860 -2.213 -16.979 534 HB2 LYS 74 HB2 LYS 74 17.971 -0.951 -19.118 535 HB3 LYS 74 HB3 LYS 74 16.474 -1.667 -19.619 536 HG2 LYS 74 HG2 LYS 74 16.670 -0.093 -17.070 537 HG3 LYS 74 HG3 LYS 74 16.529 0.735 -18.607 538 HD2 LYS 74 HD2 LYS 74 14.558 -1.350 -17.637 539 HD3 LYS 74 HD3 LYS 74 14.396 0.347 -17.241 540 HE2 LYS 74 HE2 LYS 74 14.521 -0.657 -20.125 541 HE3 LYS 74 HE3 LYS 74 13.021 -0.292 -19.243 542 HZ1 LYS 74 HZ1 LYS 74 15.203 1.696 -19.714 543 HZ2 LYS 74 HZ2 LYS 74 13.808 1.964 -18.877 544 HZ3 LYS 74 HZ3 LYS 74 13.728 1.646 -20.514 545 H VAL 75 H VAL 75 16.090 -2.517 -15.696 546 HA VAL 75 HA VAL 75 14.452 -4.904 -16.416 547 HB VAL 75 HB VAL 75 15.353 -3.956 -13.601 548 HG11 VAL 75 HG11 VAL 75 13.174 -4.953 -13.409 549 HG12 VAL 75 HG12 VAL 75 13.566 -6.255 -14.501 550 HG13 VAL 75 HG13 VAL 75 14.298 -6.195 -12.909 551 HG21 VAL 75 HG21 VAL 75 16.019 -6.570 -15.030 552 HG22 VAL 75 HG22 VAL 75 17.096 -5.132 -15.061 553 HG23 VAL 75 HG23 VAL 75 16.697 -5.943 -13.524 554 H VAL 76 H VAL 76 12.284 -4.677 -16.332 555 HA VAL 76 HA VAL 76 11.148 -2.167 -15.140 556 HB VAL 76 HB VAL 76 10.209 -3.731 -17.617 557 HG11 VAL 76 HG11 VAL 76 9.029 -1.260 -16.211 558 HG12 VAL 76 HG12 VAL 76 8.558 -1.826 -17.802 559 HG13 VAL 76 HG13 VAL 76 8.287 -2.876 -16.400 560 HG21 VAL 76 HG21 VAL 76 11.363 -0.908 -17.389 561 HG22 VAL 76 HG22 VAL 76 12.182 -2.327 -18.084 562 HG23 VAL 76 HG23 VAL 76 10.766 -1.666 -18.852 563 H TRP 77 H TRP 77 9.528 -2.555 -13.612 564 HA TRP 77 HA TRP 77 8.529 -5.302 -13.535 565 HB2 TRP 77 HB2 TRP 77 8.963 -5.477 -11.114 566 HB3 TRP 77 HB3 TRP 77 10.415 -5.424 -12.051 567 HD1 TRP 77 HD1 TRP 77 12.065 -3.352 -11.641 568 HE1 TRP 77 HE1 TRP 77 12.245 -1.455 -9.965 569 HE3 TRP 77 HE3 TRP 77 7.460 -3.851 -9.580 570 HZ2 TRP 77 HZ2 TRP 77 10.511 -0.217 -8.059 571 HZ3 TRP 77 HZ3 TRP 77 6.763 -2.263 -7.759 572 HH2 TRP 77 HH2 TRP 77 8.250 -0.405 -7.096 573 H ASN 78 H ASN 78 6.652 -5.701 -12.608 574 HA ASN 78 HA ASN 78 4.958 -3.385 -11.763 575 HB2 ASN 78 HB2 ASN 78 4.237 -5.889 -13.287 576 HB3 ASN 78 HB3 ASN 78 3.084 -4.644 -12.779 577 HD21 ASN 78 HD21 ASN 78 3.915 -2.329 -13.406 578 HD22 ASN 78 HD22 ASN 78 4.359 -2.143 -15.099 579 H ALA 79 H ALA 79 4.313 -3.706 -9.613 580 HA ALA 79 HA ALA 79 4.289 -6.533 -8.646 581 HB1 ALA 79 HB1 ALA 79 5.504 -4.212 -7.137 582 HB2 ALA 79 HB2 ALA 79 5.290 -5.863 -6.532 583 HB3 ALA 79 HB3 ALA 79 6.393 -5.567 -7.905 584 H VAL 80 H VAL 80 2.605 -7.002 -7.129 585 HA VAL 80 HA VAL 80 0.797 -4.700 -6.537 586 HB VAL 80 HB VAL 80 -0.253 -6.269 -8.324 587 HG11 VAL 80 HG11 VAL 80 -0.085 -8.330 -6.101 588 HG12 VAL 80 HG12 VAL 80 -0.963 -8.517 -7.640 589 HG13 VAL 80 HG13 VAL 80 0.787 -8.401 -7.609 590 HG21 VAL 80 HG21 VAL 80 -1.769 -5.037 -6.797 591 HG22 VAL 80 HG22 VAL 80 -2.430 -6.677 -7.159 592 HG23 VAL 80 HG23 VAL 80 -1.618 -6.346 -5.599 593 H SER 81 H SER 81 0.215 -4.514 -4.503 594 HA SER 81 HA SER 81 1.809 -6.023 -2.589 595 HB2 SER 81 HB2 SER 81 0.877 -4.468 -0.958 596 HB3 SER 81 HB3 SER 81 1.422 -3.570 -2.370 597 HG SER 81 HG SER 81 -0.572 -2.881 -1.867 598 H VAL 82 H VAL 82 0.771 -6.953 -0.591 599 HA VAL 82 HA VAL 82 -1.338 -8.804 -1.425 600 HB VAL 82 HB VAL 82 -1.284 -9.538 0.987 601 HG11 VAL 82 HG11 VAL 82 0.365 -10.492 -0.517 602 HG12 VAL 82 HG12 VAL 82 1.486 -9.157 -0.194 603 HG13 VAL 82 HG13 VAL 82 1.023 -10.299 1.071 604 HG21 VAL 82 HG21 VAL 82 0.199 -8.454 2.609 605 HG22 VAL 82 HG22 VAL 82 0.772 -7.286 1.343 606 HG23 VAL 82 HG23 VAL 82 -0.926 -7.243 1.947 607 H ASP 83 H ASP 83 -1.288 -5.550 -0.516 608 HA ASP 83 HA ASP 83 -4.017 -5.512 0.646 609 HB2 ASP 83 HB2 ASP 83 -2.068 -3.934 1.278 610 HB3 ASP 83 HB3 ASP 83 -2.299 -3.142 -0.297 611 H THR 84 H THR 84 -3.032 -6.301 -2.304 612 HA THR 84 HA THR 84 -3.743 -6.273 -4.376 613 HB THR 84 HB THR 84 -6.105 -5.899 -4.934 614 HG1 THR 84 HG1 THR 84 -5.966 -4.413 -2.556 615 HG21 THR 84 HG21 THR 84 -5.812 -7.152 -2.176 616 HG22 THR 84 HG22 THR 84 -5.417 -7.964 -3.725 617 HG23 THR 84 HG23 THR 84 -7.096 -7.457 -3.360 618 H HIS 85 H HIS 85 -2.982 -3.289 -3.172 619 HA HIS 85 HA HIS 85 -3.776 -1.696 -5.537 620 HB2 HIS 85 HB2 HIS 85 -1.849 -1.178 -3.219 621 HB3 HIS 85 HB3 HIS 85 -2.210 -0.033 -4.551 622 HD1 HIS 85 HD1 HIS 85 -3.970 -1.714 -1.504 623 HD2 HIS 85 HD2 HIS 85 -4.503 1.392 -4.303 624 HE1 HIS 85 HE1 HIS 85 -6.017 -0.427 -0.815 625 H LYS 86 H LYS 86 -2.177 -1.035 -7.195 626 HA LYS 86 HA LYS 86 0.241 -2.799 -7.287 627 HB2 LYS 86 HB2 LYS 86 -1.645 -3.695 -8.520 628 HB3 LYS 86 HB3 LYS 86 -1.644 -2.205 -9.555 629 HG2 LYS 86 HG2 LYS 86 0.516 -2.815 -10.486 630 HG3 LYS 86 HG3 LYS 86 0.642 -4.212 -9.366 631 HD2 LYS 86 HD2 LYS 86 -0.038 -5.087 -11.444 632 HD3 LYS 86 HD3 LYS 86 -1.394 -5.141 -10.303 633 HE2 LYS 86 HE2 LYS 86 -2.342 -3.106 -11.399 634 HE3 LYS 86 HE3 LYS 86 -1.014 -3.128 -12.591 635 HZ1 LYS 86 HZ1 LYS 86 -1.751 -5.425 -13.099 636 HZ2 LYS 86 HZ2 LYS 86 -2.910 -4.324 -13.440 637 HZ3 LYS 86 HZ3 LYS 86 -3.008 -5.269 -12.112 638 H SER 87 H SER 87 2.067 -2.126 -8.235 639 HA SER 87 HA SER 87 2.177 0.702 -9.196 640 HB2 SER 87 HB2 SER 87 3.890 -0.598 -7.034 641 HB3 SER 87 HB3 SER 87 4.169 1.011 -7.719 642 HG SER 87 HG SER 87 2.482 1.804 -6.699 643 H ASN 88 H ASN 88 4.276 1.216 -10.193 644 HA ASN 88 HA ASN 88 5.666 -1.156 -11.296 645 HB2 ASN 88 HB2 ASN 88 5.696 -0.151 -13.532 646 HB3 ASN 88 HB3 ASN 88 4.032 -0.282 -12.990 647 HD21 ASN 88 HD21 ASN 88 6.062 1.716 -14.574 648 HD22 ASN 88 HD22 ASN 88 5.350 3.239 -14.124 649 H GLY 89 H GLY 89 7.816 -0.593 -12.242 650 HA2 GLY 89 HA2 GLY 89 8.965 1.991 -11.848 651 HA3 GLY 89 HA3 GLY 89 9.400 0.941 -10.496 652 H GLU 90 H GLU 90 11.533 1.675 -11.968 653 HA GLU 90 HA GLU 90 12.315 -0.787 -13.349 654 HB2 GLU 90 HB2 GLU 90 12.884 0.353 -15.463 655 HB3 GLU 90 HB3 GLU 90 11.166 0.577 -15.107 656 HG2 GLU 90 HG2 GLU 90 11.635 2.868 -14.267 657 HG3 GLU 90 HG3 GLU 90 13.339 2.635 -14.765 658 H TYR 91 H TYR 91 14.665 -0.864 -13.773 659 HA TYR 91 HA TYR 91 16.290 1.391 -12.873 660 HB2 TYR 91 HB2 TYR 91 17.591 0.075 -11.224 661 HB3 TYR 91 HB3 TYR 91 15.906 0.214 -10.739 662 HD1 TYR 91 HD1 TYR 91 18.554 -2.135 -11.824 663 HD2 TYR 91 HD2 TYR 91 14.407 -1.746 -10.704 664 HE1 TYR 91 HE1 TYR 91 18.464 -4.598 -11.407 665 HE2 TYR 91 HE2 TYR 91 14.312 -4.225 -10.311 666 HH TYR 91 HH TYR 91 15.530 -6.201 -10.213 667 H SER 92 H SER 92 18.663 0.944 -13.380 668 HA SER 92 HA SER 92 18.900 -1.118 -15.554 669 HB2 SER 92 HB2 SER 92 20.268 0.513 -16.812 670 HB3 SER 92 HB3 SER 92 18.653 1.198 -16.466 671 HG SER 92 HG SER 92 19.558 2.338 -14.717 672 H PHE 93 H PHE 93 21.085 -1.944 -15.902 673 HA PHE 93 HA PHE 93 23.169 -1.197 -13.981 674 HB2 PHE 93 HB2 PHE 93 23.354 -3.312 -12.827 675 HB3 PHE 93 HB3 PHE 93 21.696 -2.734 -12.643 676 HD1 PHE 93 HD1 PHE 93 19.850 -3.901 -13.679 677 HD2 PHE 93 HD2 PHE 93 23.873 -5.333 -14.229 678 HE1 PHE 93 HE1 PHE 93 18.996 -6.112 -14.542 679 HE2 PHE 93 HE2 PHE 93 23.017 -7.498 -15.048 680 HZ PHE 93 HZ PHE 93 20.608 -7.889 -15.218 681 H LYS 94 H LYS 94 25.188 -2.749 -14.366 682 HA LYS 94 HA LYS 94 25.156 -3.607 -17.227 683 HB2 LYS 94 HB2 LYS 94 26.184 -1.427 -16.855 684 HB3 LYS 94 HB3 LYS 94 27.350 -2.176 -15.727 685 HG2 LYS 94 HG2 LYS 94 28.193 -3.569 -17.590 686 HG3 LYS 94 HG3 LYS 94 27.030 -2.728 -18.698 687 HD2 LYS 94 HD2 LYS 94 28.057 -0.531 -18.047 688 HD3 LYS 94 HD3 LYS 94 29.235 -1.418 -17.071 689 HE2 LYS 94 HE2 LYS 94 30.296 -0.882 -19.205 690 HE3 LYS 94 HE3 LYS 94 30.002 -2.607 -19.251 691 HZ1 LYS 94 HZ1 LYS 94 27.991 -2.155 -20.455 692 HZ2 LYS 94 HZ2 LYS 94 29.285 -1.547 -21.252 693 HZ3 LYS 94 HZ3 LYS 94 28.250 -0.521 -20.407 694 H VAL 95 H VAL 95 25.890 -5.648 -17.662 695 HA VAL 95 HA VAL 95 27.067 -7.208 -15.404 696 HB VAL 95 HB VAL 95 26.419 -8.103 -18.286 697 HG11 VAL 95 HG11 VAL 95 26.644 -10.362 -17.409 698 HG12 VAL 95 HG12 VAL 95 28.197 -9.508 -17.353 699 HG13 VAL 95 HG13 VAL 95 27.235 -9.740 -15.862 700 HG21 VAL 95 HG21 VAL 95 24.410 -7.491 -16.897 701 HG22 VAL 95 HG22 VAL 95 24.511 -9.191 -17.320 702 HG23 VAL 95 HG23 VAL 95 24.917 -8.692 -15.691 703 H GLY 96 H GLY 96 29.225 -7.639 -15.215 704 HA2 GLY 96 HA2 GLY 96 31.104 -7.691 -17.299 705 HA3 GLY 96 HA3 GLY 96 31.196 -6.094 -16.452 706 H GLN 97 H GLN 97 31.947 -9.482 -16.363 707 HA GLN 97 HA GLN 97 32.106 -9.821 -13.496 708 HB2 GLN 97 HB2 GLN 97 31.717 -11.644 -15.231 709 HB3 GLN 97 HB3 GLN 97 33.371 -11.387 -15.789 710 HG2 GLN 97 HG2 GLN 97 34.225 -12.114 -13.608 711 HG3 GLN 97 HG3 GLN 97 32.557 -12.297 -12.989 712 HE21 GLN 97 HE21 GLN 97 35.138 -13.868 -14.318 713 HE22 GLN 97 HE22 GLN 97 34.338 -15.312 -14.845 Start of MODEL 18 1 H1 HIS 1 H1 HIS 1 3.805 1.484 2.389 2 H2 HIS 1 H2 HIS 1 2.171 1.210 2.683 3 H3 HIS 1 H3 HIS 1 3.263 -0.051 2.831 4 HA HIS 1 HA HIS 1 2.008 -0.220 0.716 5 HB2 HIS 1 HB2 HIS 1 3.337 2.451 0.144 6 HB3 HIS 1 HB3 HIS 1 2.439 1.462 -1.010 7 HD1 HIS 1 HD1 HIS 1 1.990 3.712 2.061 8 HD2 HIS 1 HD2 HIS 1 -0.300 1.608 -0.762 9 HE1 HIS 1 HE1 HIS 1 -0.365 4.495 2.258 10 H ALA 2 H ALA 2 3.101 -1.022 -1.274 11 HA ALA 2 HA ALA 2 5.674 -2.145 -0.499 12 HB1 ALA 2 HB1 ALA 2 4.083 -3.516 -1.801 13 HB2 ALA 2 HB2 ALA 2 4.089 -2.362 -3.149 14 HB3 ALA 2 HB3 ALA 2 5.533 -3.289 -2.729 15 H HIS 3 H HIS 3 7.464 -1.000 -0.552 16 HA HIS 3 HA HIS 3 8.206 0.417 -3.092 17 HB2 HIS 3 HB2 HIS 3 8.832 1.341 -0.230 18 HB3 HIS 3 HB3 HIS 3 9.441 2.074 -1.774 19 HD1 HIS 3 HD1 HIS 3 7.438 3.121 -3.365 20 HD2 HIS 3 HD2 HIS 3 6.494 2.329 0.625 21 HE1 HIS 3 HE1 HIS 3 5.275 4.325 -2.840 22 H LEU 4 H LEU 4 10.467 0.181 -3.617 23 HA LEU 4 HA LEU 4 11.658 -2.328 -2.693 24 HB2 LEU 4 HB2 LEU 4 11.545 -1.546 -5.002 25 HB3 LEU 4 HB3 LEU 4 12.531 -0.179 -4.631 26 HG LEU 4 HG LEU 4 13.540 -3.013 -4.602 27 HD11 LEU 4 HD11 LEU 4 12.855 -2.369 -6.834 28 HD12 LEU 4 HD12 LEU 4 14.620 -2.357 -6.712 29 HD13 LEU 4 HD13 LEU 4 13.703 -0.810 -6.657 30 HD21 LEU 4 HD21 LEU 4 14.987 -1.536 -3.222 31 HD22 LEU 4 HD22 LEU 4 15.043 -0.366 -4.559 32 HD23 LEU 4 HD23 LEU 4 15.747 -1.967 -4.710 33 H LYS 5 H LYS 5 13.115 -2.472 -1.039 34 HA LYS 5 HA LYS 5 14.431 0.027 -0.090 35 HB2 LYS 5 HB2 LYS 5 14.053 -2.549 1.392 36 HB3 LYS 5 HB3 LYS 5 14.913 -1.126 1.985 37 HG2 LYS 5 HG2 LYS 5 12.775 0.177 1.867 38 HG3 LYS 5 HG3 LYS 5 11.942 -1.307 1.348 39 HD2 LYS 5 HD2 LYS 5 11.546 -1.133 3.688 40 HD3 LYS 5 HD3 LYS 5 12.696 -2.480 3.440 41 HE2 LYS 5 HE2 LYS 5 14.584 -0.974 4.012 42 HE3 LYS 5 HE3 LYS 5 13.404 0.372 4.291 43 HZ1 LYS 5 HZ1 LYS 5 13.620 -2.165 5.814 44 HZ2 LYS 5 HZ2 LYS 5 12.405 -1.006 6.034 45 HZ3 LYS 5 HZ3 LYS 5 13.994 -0.634 6.346 46 H SER 6 H SER 6 15.072 -3.211 -1.282 47 HA SER 6 HA SER 6 17.931 -2.487 -1.572 48 HB2 SER 6 HB2 SER 6 17.810 -3.447 0.675 49 HB3 SER 6 HB3 SER 6 17.038 -4.885 0.021 50 HG SER 6 HG SER 6 19.174 -5.352 0.120 51 H ALA 7 H ALA 7 18.981 -3.995 -3.039 52 HA ALA 7 HA ALA 7 17.307 -5.882 -4.541 53 HB1 ALA 7 HB1 ALA 7 17.618 -4.667 -6.715 54 HB2 ALA 7 HB2 ALA 7 16.643 -3.750 -5.566 55 HB3 ALA 7 HB3 ALA 7 18.331 -3.299 -5.826 56 H THR 8 H THR 8 18.375 -6.837 -6.325 57 HA THR 8 HA THR 8 21.225 -7.547 -5.891 58 HB THR 8 HB THR 8 19.062 -8.658 -7.821 59 HG1 THR 8 HG1 THR 8 18.466 -8.912 -5.623 60 HG21 THR 8 HG21 THR 8 21.048 -9.540 -8.631 61 HG22 THR 8 HG22 THR 8 20.399 -10.782 -7.546 62 HG23 THR 8 HG23 THR 8 21.727 -9.750 -6.965 63 HA PRO 9 HA PRO 9 23.389 -5.076 -8.997 64 HB2 PRO 9 HB2 PRO 9 21.614 -6.023 -11.235 65 HB3 PRO 9 HB3 PRO 9 23.379 -5.821 -11.150 66 HG2 PRO 9 HG2 PRO 9 21.764 -8.272 -10.195 67 HG3 PRO 9 HG3 PRO 9 23.530 -8.217 -10.524 68 HD2 PRO 9 HD2 PRO 9 22.709 -8.315 -7.940 69 HD3 PRO 9 HD3 PRO 9 23.960 -7.110 -8.330 70 H ALA 10 H ALA 10 22.869 -3.430 -7.815 71 HA ALA 10 HA ALA 10 20.540 -1.825 -8.035 72 HB1 ALA 10 HB1 ALA 10 22.100 -1.828 -6.109 73 HB2 ALA 10 HB2 ALA 10 23.391 -1.101 -7.120 74 HB3 ALA 10 HB3 ALA 10 21.895 -0.220 -6.758 75 H ALA 11 H ALA 11 20.538 0.442 -8.735 76 HA ALA 11 HA ALA 11 21.065 0.569 -11.464 77 HB1 ALA 11 HB1 ALA 11 19.367 1.988 -10.524 78 HB2 ALA 11 HB2 ALA 11 20.567 2.768 -9.495 79 HB3 ALA 11 HB3 ALA 11 20.614 3.030 -11.241 80 H ASP 12 H ASP 12 22.481 1.465 -12.784 81 HA ASP 12 HA ASP 12 24.449 2.051 -13.648 82 HB2 ASP 12 HB2 ASP 12 23.765 4.190 -12.348 83 HB3 ASP 12 HB3 ASP 12 25.008 3.721 -11.162 84 H SER 13 H SER 13 24.454 -0.136 -11.330 85 HA SER 13 HA SER 13 27.268 -0.099 -10.546 86 HB2 SER 13 HB2 SER 13 25.114 -2.156 -10.206 87 HB3 SER 13 HB3 SER 13 26.702 -2.191 -9.427 88 HG SER 13 HG SER 13 24.697 -0.207 -9.152 89 H THR 14 H THR 14 28.834 -1.825 -11.114 90 HA THR 14 HA THR 14 27.977 -3.382 -13.545 91 HB THR 14 HB THR 14 30.797 -2.381 -12.941 92 HG1 THR 14 HG1 THR 14 30.366 -1.137 -14.851 93 HG21 THR 14 HG21 THR 14 31.198 -3.184 -15.286 94 HG22 THR 14 HG22 THR 14 29.587 -3.941 -15.253 95 HG23 THR 14 HG23 THR 14 30.862 -4.485 -14.133 96 H VAL 15 H VAL 15 27.648 -5.453 -12.844 97 HA VAL 15 HA VAL 15 29.539 -6.545 -10.828 98 HB VAL 15 HB VAL 15 27.616 -7.662 -9.701 99 HG11 VAL 15 HG11 VAL 15 26.811 -5.670 -8.525 100 HG12 VAL 15 HG12 VAL 15 28.460 -5.320 -9.045 101 HG13 VAL 15 HG13 VAL 15 27.109 -4.637 -9.921 102 HG21 VAL 15 HG21 VAL 15 25.883 -6.016 -11.584 103 HG22 VAL 15 HG22 VAL 15 26.048 -7.794 -11.602 104 HG23 VAL 15 HG23 VAL 15 25.329 -6.940 -10.190 105 H ALA 16 H ALA 16 29.436 -8.976 -10.609 106 HA ALA 16 HA ALA 16 29.556 -10.252 -13.203 107 HB1 ALA 16 HB1 ALA 16 29.970 -12.276 -11.892 108 HB2 ALA 16 HB2 ALA 16 30.975 -10.959 -11.253 109 HB3 ALA 16 HB3 ALA 16 29.477 -11.409 -10.412 110 H ALA 17 H ALA 17 28.106 -11.938 -13.908 111 HA ALA 17 HA ALA 17 25.405 -11.152 -13.574 112 HB1 ALA 17 HB1 ALA 17 26.550 -13.752 -14.669 113 HB2 ALA 17 HB2 ALA 17 24.844 -13.242 -14.800 114 HB3 ALA 17 HB3 ALA 17 26.121 -12.269 -15.595 115 HA PRO 18 HA PRO 18 24.614 -13.391 -9.771 116 HB2 PRO 18 HB2 PRO 18 21.996 -12.816 -9.421 117 HB3 PRO 18 HB3 PRO 18 23.247 -11.538 -9.250 118 HG2 PRO 18 HG2 PRO 18 21.559 -12.261 -11.638 119 HG3 PRO 18 HG3 PRO 18 21.750 -10.643 -10.883 120 HD2 PRO 18 HD2 PRO 18 23.178 -11.365 -13.042 121 HD3 PRO 18 HD3 PRO 18 23.923 -10.386 -11.739 122 H ALA 19 H ALA 19 23.407 -15.404 -9.039 123 HA ALA 19 HA ALA 19 22.838 -17.166 -11.264 124 HB1 ALA 19 HB1 ALA 19 22.171 -17.417 -8.276 125 HB2 ALA 19 HB2 ALA 19 21.867 -18.693 -9.439 126 HB3 ALA 19 HB3 ALA 19 23.545 -18.172 -9.122 127 H ASP 20 H ASP 20 20.829 -15.190 -9.051 128 HA ASP 20 HA ASP 20 18.727 -15.063 -11.098 129 HB2 ASP 20 HB2 ASP 20 16.939 -15.821 -9.603 130 HB3 ASP 20 HB3 ASP 20 18.133 -17.095 -9.825 131 H LEU 21 H LEU 21 17.215 -13.200 -10.514 132 HA LEU 21 HA LEU 21 18.796 -11.160 -8.977 133 HB2 LEU 21 HB2 LEU 21 16.434 -10.773 -10.859 134 HB3 LEU 21 HB3 LEU 21 17.308 -9.522 -9.981 135 HG LEU 21 HG LEU 21 19.322 -9.920 -11.354 136 HD11 LEU 21 HD11 LEU 21 17.492 -11.838 -12.882 137 HD12 LEU 21 HD12 LEU 21 19.081 -12.206 -12.167 138 HD13 LEU 21 HD13 LEU 21 18.977 -11.143 -13.549 139 HD21 LEU 21 HD21 LEU 21 16.780 -9.298 -12.847 140 HD22 LEU 21 HD22 LEU 21 18.422 -8.927 -13.434 141 HD23 LEU 21 HD23 LEU 21 17.802 -8.139 -11.950 142 H ARG 22 H ARG 22 17.997 -10.343 -7.060 143 HA ARG 22 HA ARG 22 15.228 -11.139 -6.307 144 HB2 ARG 22 HB2 ARG 22 17.645 -11.025 -4.457 145 HB3 ARG 22 HB3 ARG 22 15.956 -11.408 -4.035 146 HG2 ARG 22 HG2 ARG 22 15.999 -13.272 -5.697 147 HG3 ARG 22 HG3 ARG 22 17.730 -13.000 -5.862 148 HD2 ARG 22 HD2 ARG 22 18.011 -13.443 -3.451 149 HD3 ARG 22 HD3 ARG 22 16.225 -13.813 -3.357 150 HE ARG 22 HE ARG 22 17.443 -15.283 -5.474 151 HH11 ARG 22 HH11 ARG 22 17.110 -15.371 -1.935 152 HH12 ARG 22 HH12 ARG 22 17.411 -17.087 -1.906 153 HH21 ARG 22 HH21 ARG 22 17.656 -17.436 -5.309 154 HH22 ARG 22 HH22 ARG 22 17.702 -18.271 -3.753 155 H LEU 23 H LEU 23 13.951 -9.655 -5.361 156 HA LEU 23 HA LEU 23 15.103 -6.949 -4.853 157 HB2 LEU 23 HB2 LEU 23 12.394 -7.591 -6.003 158 HB3 LEU 23 HB3 LEU 23 12.937 -5.995 -5.544 159 HG LEU 23 HG LEU 23 14.613 -6.030 -7.356 160 HD11 LEU 23 HD11 LEU 23 15.065 -8.263 -7.941 161 HD12 LEU 23 HD12 LEU 23 14.072 -7.710 -9.303 162 HD13 LEU 23 HD13 LEU 23 13.351 -8.730 -8.036 163 HD21 LEU 23 HD21 LEU 23 12.939 -5.571 -9.086 164 HD22 LEU 23 HD22 LEU 23 12.349 -5.051 -7.506 165 HD23 LEU 23 HD23 LEU 23 11.702 -6.534 -8.219 166 H THR 24 H THR 24 14.530 -5.978 -2.846 167 HA THR 24 HA THR 24 12.752 -7.671 -1.109 168 HB THR 24 HB THR 24 15.006 -5.803 -0.245 169 HG1 THR 24 HG1 THR 24 16.063 -7.752 0.287 170 HG21 THR 24 HG21 THR 24 14.653 -6.830 1.976 171 HG22 THR 24 HG22 THR 24 13.289 -7.752 1.328 172 HG23 THR 24 HG23 THR 24 13.209 -5.986 1.449 173 H PHE 25 H PHE 25 10.883 -6.696 -0.545 174 HA PHE 25 HA PHE 25 10.655 -3.741 -0.912 175 HB2 PHE 25 HB2 PHE 25 8.465 -5.865 -1.142 176 HB3 PHE 25 HB3 PHE 25 8.262 -4.152 -1.395 177 HD1 PHE 25 HD1 PHE 25 9.396 -7.299 -2.829 178 HD2 PHE 25 HD2 PHE 25 9.200 -3.042 -3.410 179 HE1 PHE 25 HE1 PHE 25 9.870 -7.620 -5.254 180 HE2 PHE 25 HE2 PHE 25 9.789 -3.338 -5.835 181 HZ PHE 25 HZ PHE 25 10.071 -5.614 -6.776 182 H SER 26 H SER 26 9.339 -2.565 0.492 183 HA SER 26 HA SER 26 9.511 -3.219 3.283 184 HB2 SER 26 HB2 SER 26 9.435 -0.934 2.394 185 HB3 SER 26 HB3 SER 26 7.750 -1.178 1.896 186 HG SER 26 HG SER 26 7.779 -0.161 3.893 187 H GLU 27 H GLU 27 6.933 -3.811 0.942 188 HA GLU 27 HA GLU 27 5.279 -5.177 3.043 189 HB2 GLU 27 HB2 GLU 27 4.329 -2.948 2.337 190 HB3 GLU 27 HB3 GLU 27 4.385 -3.545 0.679 191 HG2 GLU 27 HG2 GLU 27 2.173 -3.728 1.328 192 HG3 GLU 27 HG3 GLU 27 2.796 -5.369 1.270 193 H GLY 28 H GLY 28 4.362 -7.157 2.387 194 HA2 GLY 28 HA2 GLY 28 5.880 -8.514 0.417 195 HA3 GLY 28 HA3 GLY 28 4.453 -9.138 1.233 196 H VAL 29 H VAL 29 5.367 -9.473 -1.584 197 HA VAL 29 HA VAL 29 3.042 -8.150 -2.922 198 HB VAL 29 HB VAL 29 4.398 -8.065 -4.982 199 HG11 VAL 29 HG11 VAL 29 5.765 -6.624 -2.642 200 HG12 VAL 29 HG12 VAL 29 5.850 -6.164 -4.342 201 HG13 VAL 29 HG13 VAL 29 4.297 -6.046 -3.472 202 HG21 VAL 29 HG21 VAL 29 5.947 -9.956 -4.430 203 HG22 VAL 29 HG22 VAL 29 6.771 -8.487 -5.033 204 HG23 VAL 29 HG23 VAL 29 6.785 -8.860 -3.266 205 H GLU 30 H GLU 30 2.104 -9.359 -4.707 206 HA GLU 30 HA GLU 30 2.172 -12.245 -4.080 207 HB2 GLU 30 HB2 GLU 30 0.354 -10.547 -5.862 208 HB3 GLU 30 HB3 GLU 30 0.168 -12.300 -5.728 209 HG2 GLU 30 HG2 GLU 30 0.137 -10.660 -3.217 210 HG3 GLU 30 HG3 GLU 30 -1.334 -10.711 -4.259 211 H ALA 31 H ALA 31 3.504 -13.577 -5.310 212 HA ALA 31 HA ALA 31 5.016 -12.533 -7.477 213 HB1 ALA 31 HB1 ALA 31 5.874 -14.783 -7.750 214 HB2 ALA 31 HB2 ALA 31 5.810 -14.376 -6.015 215 HB3 ALA 31 HB3 ALA 31 4.564 -15.418 -6.739 216 H THR 32 H THR 32 1.998 -14.235 -7.302 217 HA THR 32 HA THR 32 1.909 -15.196 -9.992 218 HB THR 32 HB THR 32 -0.368 -14.305 -8.090 219 HG1 THR 32 HG1 THR 32 -0.258 -16.344 -7.282 220 HG21 THR 32 HG21 THR 32 -0.327 -16.155 -10.487 221 HG22 THR 32 HG22 THR 32 -1.360 -14.763 -10.260 222 HG23 THR 32 HG23 THR 32 -1.608 -16.225 -9.306 223 H PHE 33 H PHE 33 1.162 -12.027 -8.507 224 HA PHE 33 HA PHE 33 0.153 -11.118 -11.132 225 HB2 PHE 33 HB2 PHE 33 -0.212 -9.788 -8.422 226 HB3 PHE 33 HB3 PHE 33 -1.002 -9.319 -9.963 227 HD1 PHE 33 HD1 PHE 33 -2.175 -11.572 -11.108 228 HD2 PHE 33 HD2 PHE 33 -1.577 -10.819 -6.907 229 HE1 PHE 33 HE1 PHE 33 -3.906 -13.296 -10.559 230 HE2 PHE 33 HE2 PHE 33 -3.290 -12.531 -6.363 231 HZ PHE 33 HZ PHE 33 -4.450 -13.755 -8.188 232 H THR 34 H THR 34 3.001 -10.916 -9.385 233 HA THR 34 HA THR 34 3.729 -8.174 -10.083 234 HB THR 34 HB THR 34 5.442 -10.592 -9.302 235 HG1 THR 34 HG1 THR 34 4.071 -10.051 -7.581 236 HG21 THR 34 HG21 THR 34 6.132 -7.642 -9.242 237 HG22 THR 34 HG22 THR 34 6.808 -8.867 -10.344 238 HG23 THR 34 HG23 THR 34 7.116 -8.919 -8.578 239 H LYS 35 H LYS 35 4.714 -7.545 -12.014 240 HA LYS 35 HA LYS 35 5.486 -9.723 -13.901 241 HB2 LYS 35 HB2 LYS 35 3.417 -8.631 -14.661 242 HB3 LYS 35 HB3 LYS 35 4.274 -7.105 -14.657 243 HG2 LYS 35 HG2 LYS 35 5.831 -7.980 -16.377 244 HG3 LYS 35 HG3 LYS 35 4.890 -9.498 -16.459 245 HD2 LYS 35 HD2 LYS 35 2.904 -8.164 -17.210 246 HD3 LYS 35 HD3 LYS 35 3.875 -6.707 -17.118 247 HE2 LYS 35 HE2 LYS 35 3.850 -7.486 -19.441 248 HE3 LYS 35 HE3 LYS 35 5.460 -7.726 -18.826 249 HZ1 LYS 35 HZ1 LYS 35 4.869 -10.049 -18.377 250 HZ2 LYS 35 HZ2 LYS 35 4.769 -9.694 -19.965 251 HZ3 LYS 35 HZ3 LYS 35 3.393 -9.833 -19.059 252 H VAL 36 H VAL 36 7.551 -9.708 -14.642 253 HA VAL 36 HA VAL 36 9.121 -7.196 -14.285 254 HB VAL 36 HB VAL 36 10.006 -10.082 -13.717 255 HG11 VAL 36 HG11 VAL 36 11.853 -8.774 -14.717 256 HG12 VAL 36 HG12 VAL 36 11.538 -7.423 -13.578 257 HG13 VAL 36 HG13 VAL 36 12.146 -8.979 -12.977 258 HG21 VAL 36 HG21 VAL 36 9.676 -7.735 -11.770 259 HG22 VAL 36 HG22 VAL 36 8.571 -9.119 -11.891 260 HG23 VAL 36 HG23 VAL 36 10.236 -9.349 -11.371 261 H SER 37 H SER 37 10.432 -6.659 -16.011 262 HA SER 37 HA SER 37 10.800 -8.704 -18.108 263 HB2 SER 37 HB2 SER 37 8.977 -7.276 -18.869 264 HB3 SER 37 HB3 SER 37 9.999 -5.825 -18.632 265 HG SER 37 HG SER 37 10.117 -6.577 -20.793 266 H LEU 38 H LEU 38 12.756 -8.616 -19.055 267 HA LEU 38 HA LEU 38 14.780 -6.678 -18.060 268 HB2 LEU 38 HB2 LEU 38 14.966 -8.929 -16.908 269 HB3 LEU 38 HB3 LEU 38 15.006 -9.688 -18.500 270 HG LEU 38 HG LEU 38 17.186 -8.650 -18.994 271 HD11 LEU 38 HD11 LEU 38 17.131 -6.720 -17.532 272 HD12 LEU 38 HD12 LEU 38 18.568 -7.719 -17.200 273 HD13 LEU 38 HD13 LEU 38 17.167 -7.766 -16.092 274 HD21 LEU 38 HD21 LEU 38 16.945 -10.917 -17.952 275 HD22 LEU 38 HD22 LEU 38 17.184 -10.184 -16.369 276 HD23 LEU 38 HD23 LEU 38 18.482 -10.106 -17.586 277 H SER 39 H SER 39 15.995 -5.800 -19.701 278 HA SER 39 HA SER 39 15.868 -7.264 -22.292 279 HB2 SER 39 HB2 SER 39 15.606 -5.114 -23.493 280 HB3 SER 39 HB3 SER 39 14.272 -5.325 -22.343 281 HG SER 39 HG SER 39 15.278 -3.181 -22.231 282 H LYS 40 H LYS 40 17.527 -6.950 -23.662 283 HA LYS 40 HA LYS 40 20.054 -5.919 -22.422 284 HB2 LYS 40 HB2 LYS 40 21.277 -7.545 -23.829 285 HB3 LYS 40 HB3 LYS 40 20.166 -8.337 -22.759 286 HG2 LYS 40 HG2 LYS 40 18.539 -8.674 -24.657 287 HG3 LYS 40 HG3 LYS 40 19.748 -7.963 -25.736 288 HD2 LYS 40 HD2 LYS 40 21.331 -9.784 -25.098 289 HD3 LYS 40 HD3 LYS 40 20.067 -10.483 -24.077 290 HE2 LYS 40 HE2 LYS 40 18.565 -10.782 -25.975 291 HE3 LYS 40 HE3 LYS 40 19.768 -10.044 -27.057 292 HZ1 LYS 40 HZ1 LYS 40 21.292 -11.831 -26.494 293 HZ2 LYS 40 HZ2 LYS 40 19.909 -12.428 -27.158 294 HZ3 LYS 40 HZ3 LYS 40 20.173 -12.550 -25.521 295 H ASP 41 H ASP 41 20.300 -3.841 -23.282 296 HA ASP 41 HA ASP 41 20.450 -2.165 -24.818 297 HB2 ASP 41 HB2 ASP 41 21.140 -4.398 -26.674 298 HB3 ASP 41 HB3 ASP 41 21.314 -2.703 -27.054 299 H GLY 42 H GLY 42 17.793 -3.203 -24.342 300 HA2 GLY 42 HA2 GLY 42 15.735 -2.477 -25.156 301 HA3 GLY 42 HA3 GLY 42 16.447 -2.090 -26.702 302 H THR 43 H THR 43 17.262 -5.320 -25.886 303 HA THR 43 HA THR 43 14.832 -6.301 -27.400 304 HB THR 43 HB THR 43 17.664 -7.498 -27.281 305 HG1 THR 43 HG1 THR 43 17.186 -5.566 -28.604 306 HG21 THR 43 HG21 THR 43 15.894 -9.206 -27.479 307 HG22 THR 43 HG22 THR 43 16.896 -9.106 -28.944 308 HG23 THR 43 HG23 THR 43 15.277 -8.373 -28.904 309 H GLU 44 H GLU 44 13.517 -7.559 -26.245 310 HA GLU 44 HA GLU 44 13.886 -7.945 -23.454 311 HB2 GLU 44 HB2 GLU 44 11.701 -7.810 -24.580 312 HB3 GLU 44 HB3 GLU 44 12.010 -9.369 -25.362 313 HG2 GLU 44 HG2 GLU 44 12.033 -10.447 -23.135 314 HG3 GLU 44 HG3 GLU 44 11.645 -8.894 -22.402 315 H VAL 45 H VAL 45 14.516 -9.593 -22.140 316 HA VAL 45 HA VAL 45 16.036 -11.845 -23.448 317 HB VAL 45 HB VAL 45 16.187 -10.739 -20.562 318 HG11 VAL 45 HG11 VAL 45 17.856 -12.877 -21.902 319 HG12 VAL 45 HG12 VAL 45 18.148 -12.124 -20.290 320 HG13 VAL 45 HG13 VAL 45 16.666 -13.126 -20.572 321 HG21 VAL 45 HG21 VAL 45 18.301 -9.845 -21.144 322 HG22 VAL 45 HG22 VAL 45 18.205 -10.545 -22.784 323 HG23 VAL 45 HG23 VAL 45 17.122 -9.212 -22.306 324 H ALA 46 H ALA 46 15.288 -13.953 -23.042 325 HA ALA 46 HA ALA 46 12.627 -14.254 -22.046 326 HB1 ALA 46 HB1 ALA 46 13.049 -16.711 -22.299 327 HB2 ALA 46 HB2 ALA 46 13.549 -15.797 -23.743 328 HB3 ALA 46 HB3 ALA 46 14.773 -16.368 -22.576 329 H ILE 47 H ILE 47 11.824 -15.154 -20.162 330 HA ILE 47 HA ILE 47 13.702 -15.295 -17.828 331 HB ILE 47 HB ILE 47 10.917 -14.083 -17.885 332 HG12 ILE 47 HG12 ILE 47 13.574 -12.704 -17.404 333 HG13 ILE 47 HG13 ILE 47 12.769 -12.745 -18.968 334 HG21 ILE 47 HG21 ILE 47 11.393 -15.204 -15.752 335 HG22 ILE 47 HG22 ILE 47 12.916 -14.286 -15.624 336 HG23 ILE 47 HG23 ILE 47 11.348 -13.467 -15.563 337 HD11 ILE 47 HD11 ILE 47 11.794 -11.362 -16.437 338 HD12 ILE 47 HD12 ILE 47 12.259 -10.665 -18.001 339 HD13 ILE 47 HD13 ILE 47 10.746 -11.601 -17.889 340 H LYS 48 H LYS 48 13.548 -17.105 -16.579 341 HA LYS 48 HA LYS 48 12.019 -19.298 -17.505 342 HB2 LYS 48 HB2 LYS 48 14.137 -19.333 -16.088 343 HB3 LYS 48 HB3 LYS 48 13.163 -18.858 -14.707 344 HG2 LYS 48 HG2 LYS 48 13.534 -21.173 -14.485 345 HG3 LYS 48 HG3 LYS 48 11.848 -20.977 -14.988 346 HD2 LYS 48 HD2 LYS 48 12.769 -22.866 -16.205 347 HD3 LYS 48 HD3 LYS 48 12.523 -21.553 -17.379 348 HE2 LYS 48 HE2 LYS 48 14.657 -22.613 -17.820 349 HE3 LYS 48 HE3 LYS 48 14.922 -20.979 -17.173 350 HZ1 LYS 48 HZ1 LYS 48 15.237 -23.574 -15.748 351 HZ2 LYS 48 HZ2 LYS 48 15.290 -22.093 -14.967 352 HZ3 LYS 48 HZ3 LYS 48 16.422 -22.468 -16.113 353 H GLY 49 H GLY 49 11.396 -16.833 -15.084 354 HA2 GLY 49 HA2 GLY 49 8.750 -16.612 -14.912 355 HA3 GLY 49 HA3 GLY 49 8.957 -18.193 -14.080 356 H LEU 50 H LEU 50 8.069 -16.805 -12.231 357 HA LEU 50 HA LEU 50 10.360 -15.773 -10.668 358 HB2 LEU 50 HB2 LEU 50 9.302 -13.777 -9.959 359 HB3 LEU 50 HB3 LEU 50 9.399 -13.764 -11.726 360 HG LEU 50 HG LEU 50 6.887 -14.317 -10.125 361 HD11 LEU 50 HD11 LEU 50 7.745 -12.066 -9.751 362 HD12 LEU 50 HD12 LEU 50 6.277 -12.025 -10.784 363 HD13 LEU 50 HD13 LEU 50 7.887 -11.801 -11.525 364 HD21 LEU 50 HD21 LEU 50 6.681 -15.260 -12.346 365 HD22 LEU 50 HD22 LEU 50 7.250 -13.744 -13.063 366 HD23 LEU 50 HD23 LEU 50 5.693 -13.788 -12.217 367 H GLU 51 H GLU 51 9.971 -15.702 -8.414 368 HA GLU 51 HA GLU 51 7.578 -17.098 -7.344 369 HB2 GLU 51 HB2 GLU 51 8.792 -19.002 -6.535 370 HB3 GLU 51 HB3 GLU 51 9.014 -18.891 -8.297 371 HG2 GLU 51 HG2 GLU 51 11.260 -17.867 -7.921 372 HG3 GLU 51 HG3 GLU 51 11.019 -18.093 -6.175 373 H THR 52 H THR 52 7.794 -17.506 -5.005 374 HA THR 52 HA THR 52 9.661 -15.596 -3.585 375 HB THR 52 HB THR 52 7.820 -15.314 -1.899 376 HG1 THR 52 HG1 THR 52 6.295 -16.550 -3.947 377 HG21 THR 52 HG21 THR 52 8.074 -13.468 -3.304 378 HG22 THR 52 HG22 THR 52 6.348 -13.875 -3.432 379 HG23 THR 52 HG23 THR 52 7.429 -14.362 -4.720 380 HA PRO 53 HA PRO 53 10.069 -19.971 -2.126 381 HB2 PRO 53 HB2 PRO 53 12.662 -19.977 -1.413 382 HB3 PRO 53 HB3 PRO 53 12.181 -20.019 -3.132 383 HG2 PRO 53 HG2 PRO 53 13.043 -17.680 -1.395 384 HG3 PRO 53 HG3 PRO 53 13.675 -18.227 -3.014 385 HD2 PRO 53 HD2 PRO 53 11.775 -16.278 -2.840 386 HD3 PRO 53 HD3 PRO 53 11.756 -17.457 -4.184 387 H ASP 54 H ASP 54 10.730 -16.951 -0.457 388 HA ASP 54 HA ASP 54 11.116 -18.175 2.167 389 HB2 ASP 54 HB2 ASP 54 11.972 -15.975 1.337 390 HB3 ASP 54 HB3 ASP 54 10.359 -15.321 1.419 391 H ALA 55 H ALA 55 9.569 -18.048 3.943 392 HA ALA 55 HA ALA 55 6.852 -18.647 3.189 393 HB1 ALA 55 HB1 ALA 55 6.363 -18.574 5.612 394 HB2 ALA 55 HB2 ALA 55 7.882 -19.446 5.328 395 HB3 ALA 55 HB3 ALA 55 7.929 -17.794 5.945 396 H ASP 56 H ASP 56 8.468 -15.693 4.305 397 HA ASP 56 HA ASP 56 6.022 -14.106 4.179 398 HB2 ASP 56 HB2 ASP 56 8.012 -13.756 5.790 399 HB3 ASP 56 HB3 ASP 56 8.898 -13.099 4.390 400 H LYS 57 H LYS 57 5.760 -12.412 2.367 401 HA LYS 57 HA LYS 57 7.326 -13.250 -0.029 402 HB2 LYS 57 HB2 LYS 57 4.563 -11.968 0.155 403 HB3 LYS 57 HB3 LYS 57 5.408 -12.362 -1.333 404 HG2 LYS 57 HG2 LYS 57 5.367 -14.744 -0.730 405 HG3 LYS 57 HG3 LYS 57 4.459 -14.356 0.724 406 HD2 LYS 57 HD2 LYS 57 2.711 -13.293 -0.707 407 HD3 LYS 57 HD3 LYS 57 3.629 -13.845 -2.146 408 HE2 LYS 57 HE2 LYS 57 2.425 -15.618 0.003 409 HE3 LYS 57 HE3 LYS 57 1.781 -15.320 -1.644 410 HZ1 LYS 57 HZ1 LYS 57 3.778 -16.281 -2.564 411 HZ2 LYS 57 HZ2 LYS 57 3.071 -17.367 -1.554 412 HZ3 LYS 57 HZ3 LYS 57 4.412 -16.526 -1.070 413 H LYS 58 H LYS 58 8.297 -11.347 1.877 414 HA LYS 58 HA LYS 58 8.101 -8.713 0.605 415 HB2 LYS 58 HB2 LYS 58 9.878 -9.695 2.838 416 HB3 LYS 58 HB3 LYS 58 9.854 -8.042 2.207 417 HG2 LYS 58 HG2 LYS 58 7.461 -7.843 2.740 418 HG3 LYS 58 HG3 LYS 58 7.467 -9.455 3.480 419 HD2 LYS 58 HD2 LYS 58 9.140 -8.629 5.166 420 HD3 LYS 58 HD3 LYS 58 9.143 -7.046 4.349 421 HE2 LYS 58 HE2 LYS 58 7.689 -6.906 6.274 422 HE3 LYS 58 HE3 LYS 58 6.687 -6.805 4.822 423 HZ1 LYS 58 HZ1 LYS 58 5.953 -8.937 5.125 424 HZ2 LYS 58 HZ2 LYS 58 5.884 -8.241 6.627 425 HZ3 LYS 58 HZ3 LYS 58 7.098 -9.313 6.246 426 H THR 59 H THR 59 9.876 -11.532 0.173 427 HA THR 59 HA THR 59 11.892 -10.078 -1.450 428 HB THR 59 HB THR 59 12.183 -12.834 -0.241 429 HG1 THR 59 HG1 THR 59 12.235 -11.350 1.393 430 HG21 THR 59 HG21 THR 59 13.549 -12.657 -2.174 431 HG22 THR 59 HG22 THR 59 14.611 -12.454 -0.768 432 HG23 THR 59 HG23 THR 59 14.113 -11.028 -1.727 433 H LEU 60 H LEU 60 11.826 -10.369 -3.601 434 HA LEU 60 HA LEU 60 10.044 -12.507 -4.734 435 HB2 LEU 60 HB2 LEU 60 9.132 -10.256 -4.824 436 HB3 LEU 60 HB3 LEU 60 10.568 -9.685 -5.690 437 HG LEU 60 HG LEU 60 8.577 -9.844 -7.061 438 HD11 LEU 60 HD11 LEU 60 10.482 -11.962 -8.061 439 HD12 LEU 60 HD12 LEU 60 10.870 -10.223 -8.042 440 HD13 LEU 60 HD13 LEU 60 9.480 -10.836 -9.012 441 HD21 LEU 60 HD21 LEU 60 7.600 -11.794 -5.815 442 HD22 LEU 60 HD22 LEU 60 8.690 -12.868 -6.670 443 HD23 LEU 60 HD23 LEU 60 7.507 -11.952 -7.571 444 H VAL 61 H VAL 61 11.018 -13.827 -6.319 445 HA VAL 61 HA VAL 61 13.855 -13.102 -6.993 446 HB VAL 61 HB VAL 61 12.597 -15.875 -6.558 447 HG11 VAL 61 HG11 VAL 61 14.431 -15.979 -8.164 448 HG12 VAL 61 HG12 VAL 61 15.513 -15.208 -7.054 449 HG13 VAL 61 HG13 VAL 61 14.869 -16.823 -6.689 450 HG21 VAL 61 HG21 VAL 61 14.378 -14.172 -4.771 451 HG22 VAL 61 HG22 VAL 61 12.753 -14.852 -4.416 452 HG23 VAL 61 HG23 VAL 61 14.161 -15.920 -4.528 453 H VAL 62 H VAL 62 14.357 -12.977 -9.130 454 HA VAL 62 HA VAL 62 12.469 -14.170 -11.146 455 HB VAL 62 HB VAL 62 14.285 -11.726 -11.376 456 HG11 VAL 62 HG11 VAL 62 13.266 -11.367 -13.549 457 HG12 VAL 62 HG12 VAL 62 13.899 -13.015 -13.544 458 HG13 VAL 62 HG13 VAL 62 12.169 -12.720 -13.339 459 HG21 VAL 62 HG21 VAL 62 12.460 -11.170 -9.914 460 HG22 VAL 62 HG22 VAL 62 12.059 -10.514 -11.534 461 HG23 VAL 62 HG23 VAL 62 11.288 -12.044 -10.982 462 H THR 63 H THR 63 13.349 -15.624 -12.614 463 HA THR 63 HA THR 63 16.298 -15.964 -12.471 464 HB THR 63 HB THR 63 14.253 -18.143 -12.988 465 HG1 THR 63 HG1 THR 63 14.119 -18.243 -10.903 466 HG21 THR 63 HG21 THR 63 16.195 -19.639 -12.486 467 HG22 THR 63 HG22 THR 63 17.247 -18.199 -12.534 468 HG23 THR 63 HG23 THR 63 16.347 -18.697 -14.013 469 HA PRO 64 HA PRO 64 15.877 -14.916 -16.839 470 HB2 PRO 64 HB2 PRO 64 18.489 -15.064 -17.591 471 HB3 PRO 64 HB3 PRO 64 17.897 -13.744 -16.557 472 HG2 PRO 64 HG2 PRO 64 19.252 -16.280 -15.703 473 HG3 PRO 64 HG3 PRO 64 19.686 -14.579 -15.304 474 HD2 PRO 64 HD2 PRO 64 18.156 -16.066 -13.590 475 HD3 PRO 64 HD3 PRO 64 17.794 -14.320 -13.882 476 H ALA 65 H ALA 65 15.817 -16.138 -18.810 477 HA ALA 65 HA ALA 65 15.972 -19.058 -18.423 478 HB1 ALA 65 HB1 ALA 65 14.642 -19.244 -20.379 479 HB2 ALA 65 HB2 ALA 65 13.908 -18.051 -19.309 480 HB3 ALA 65 HB3 ALA 65 14.815 -17.536 -20.731 481 H ALA 66 H ALA 66 18.059 -16.773 -19.425 482 HA ALA 66 HA ALA 66 19.603 -18.678 -21.060 483 HB1 ALA 66 HB1 ALA 66 18.334 -17.252 -22.769 484 HB2 ALA 66 HB2 ALA 66 18.993 -15.801 -22.030 485 HB3 ALA 66 HB3 ALA 66 20.078 -16.973 -22.835 486 HA PRO 67 HA PRO 67 22.536 -16.985 -18.348 487 HB2 PRO 67 HB2 PRO 67 24.918 -17.274 -19.673 488 HB3 PRO 67 HB3 PRO 67 24.019 -18.659 -19.053 489 HG2 PRO 67 HG2 PRO 67 24.067 -17.472 -21.834 490 HG3 PRO 67 HG3 PRO 67 24.329 -19.144 -21.362 491 HD2 PRO 67 HD2 PRO 67 21.908 -18.360 -22.225 492 HD3 PRO 67 HD3 PRO 67 22.034 -19.483 -20.818 493 H LEU 68 H LEU 68 23.724 -15.068 -17.920 494 HA LEU 68 HA LEU 68 23.261 -12.848 -19.847 495 HB2 LEU 68 HB2 LEU 68 24.318 -12.841 -16.993 496 HB3 LEU 68 HB3 LEU 68 23.991 -11.403 -17.946 497 HG LEU 68 HG LEU 68 21.858 -13.411 -17.025 498 HD11 LEU 68 HD11 LEU 68 21.199 -11.536 -15.512 499 HD12 LEU 68 HD12 LEU 68 22.646 -10.674 -15.957 500 HD13 LEU 68 HD13 LEU 68 22.794 -12.221 -15.116 501 HD21 LEU 68 HD21 LEU 68 20.325 -11.573 -17.673 502 HD22 LEU 68 HD22 LEU 68 21.204 -12.251 -19.071 503 HD23 LEU 68 HD23 LEU 68 21.699 -10.713 -18.375 504 H ALA 69 H ALA 69 24.918 -11.558 -20.568 505 HA ALA 69 HA ALA 69 27.715 -12.547 -20.257 506 HB1 ALA 69 HB1 ALA 69 26.318 -11.679 -22.837 507 HB2 ALA 69 HB2 ALA 69 28.060 -12.014 -22.705 508 HB3 ALA 69 HB3 ALA 69 26.871 -13.312 -22.466 509 H ALA 70 H ALA 70 29.206 -10.628 -20.931 510 HA ALA 70 HA ALA 70 28.454 -8.361 -19.396 511 HB1 ALA 70 HB1 ALA 70 30.605 -8.546 -21.598 512 HB2 ALA 70 HB2 ALA 70 30.561 -7.364 -20.248 513 HB3 ALA 70 HB3 ALA 70 30.829 -9.077 -19.931 514 H GLY 71 H GLY 71 27.706 -6.364 -19.898 515 HA2 GLY 71 HA2 GLY 71 27.431 -4.853 -22.086 516 HA3 GLY 71 HA3 GLY 71 26.255 -6.150 -22.453 517 H ASN 72 H ASN 72 25.082 -3.821 -22.402 518 HA ASN 72 HA ASN 72 24.383 -3.025 -19.616 519 HB2 ASN 72 HB2 ASN 72 24.936 -1.354 -21.423 520 HB3 ASN 72 HB3 ASN 72 23.464 -1.853 -22.271 521 HD21 ASN 72 HD21 ASN 72 22.009 -0.291 -22.023 522 HD22 ASN 72 HD22 ASN 72 21.614 0.515 -20.518 523 H TYR 73 H TYR 73 22.490 -3.396 -18.608 524 HA TYR 73 HA TYR 73 20.227 -4.535 -20.230 525 HB2 TYR 73 HB2 TYR 73 21.267 -5.456 -17.485 526 HB3 TYR 73 HB3 TYR 73 19.779 -6.000 -18.296 527 HD1 TYR 73 HD1 TYR 73 23.503 -6.037 -18.647 528 HD2 TYR 73 HD2 TYR 73 19.773 -7.790 -19.925 529 HE1 TYR 73 HE1 TYR 73 24.719 -7.829 -19.830 530 HE2 TYR 73 HE2 TYR 73 21.042 -9.651 -21.052 531 HH TYR 73 HH TYR 73 24.679 -9.645 -20.896 532 H LYS 74 H LYS 74 18.137 -4.148 -19.385 533 HA LYS 74 HA LYS 74 17.943 -2.149 -17.177 534 HB2 LYS 74 HB2 LYS 74 18.067 -0.965 -19.338 535 HB3 LYS 74 HB3 LYS 74 16.651 -1.803 -19.906 536 HG2 LYS 74 HG2 LYS 74 16.475 -0.226 -17.345 537 HG3 LYS 74 HG3 LYS 74 16.550 0.679 -18.844 538 HD2 LYS 74 HD2 LYS 74 14.394 -1.460 -18.273 539 HD3 LYS 74 HD3 LYS 74 14.214 0.279 -17.985 540 HE2 LYS 74 HE2 LYS 74 14.767 0.811 -20.307 541 HE3 LYS 74 HE3 LYS 74 14.898 -0.922 -20.678 542 HZ1 LYS 74 HZ1 LYS 74 12.767 0.055 -21.304 543 HZ2 LYS 74 HZ2 LYS 74 12.442 0.392 -19.736 544 HZ3 LYS 74 HZ3 LYS 74 12.620 -1.189 -20.232 545 H VAL 75 H VAL 75 16.221 -2.441 -15.890 546 HA VAL 75 HA VAL 75 14.429 -4.727 -16.513 547 HB VAL 75 HB VAL 75 15.428 -3.730 -13.837 548 HG11 VAL 75 HG11 VAL 75 13.533 -6.044 -14.498 549 HG12 VAL 75 HG12 VAL 75 14.283 -5.801 -12.920 550 HG13 VAL 75 HG13 VAL 75 13.150 -4.607 -13.567 551 HG21 VAL 75 HG21 VAL 75 17.083 -5.037 -15.248 552 HG22 VAL 75 HG22 VAL 75 16.666 -5.800 -13.732 553 HG23 VAL 75 HG23 VAL 75 15.909 -6.390 -15.238 554 H VAL 76 H VAL 76 12.283 -4.421 -16.420 555 HA VAL 76 HA VAL 76 11.217 -1.920 -15.102 556 HB VAL 76 HB VAL 76 10.068 -3.400 -17.507 557 HG11 VAL 76 HG11 VAL 76 9.122 -0.884 -16.022 558 HG12 VAL 76 HG12 VAL 76 8.423 -1.468 -17.532 559 HG13 VAL 76 HG13 VAL 76 8.304 -2.460 -16.058 560 HG21 VAL 76 HG21 VAL 76 11.947 -2.128 -18.268 561 HG22 VAL 76 HG22 VAL 76 10.496 -1.214 -18.711 562 HG23 VAL 76 HG23 VAL 76 11.458 -0.700 -17.278 563 H TRP 77 H TRP 77 9.670 -2.297 -13.478 564 HA TRP 77 HA TRP 77 8.565 -5.042 -13.413 565 HB2 TRP 77 HB2 TRP 77 9.063 -5.255 -10.989 566 HB3 TRP 77 HB3 TRP 77 10.479 -5.229 -11.984 567 HD1 TRP 77 HD1 TRP 77 12.171 -3.144 -11.689 568 HE1 TRP 77 HE1 TRP 77 12.489 -1.279 -9.984 569 HE3 TRP 77 HE3 TRP 77 7.691 -3.622 -9.365 570 HZ2 TRP 77 HZ2 TRP 77 10.880 -0.052 -7.965 571 HZ3 TRP 77 HZ3 TRP 77 7.139 -2.073 -7.451 572 HH2 TRP 77 HH2 TRP 77 8.683 -0.237 -6.854 573 H ASN 78 H ASN 78 6.595 -5.307 -12.526 574 HA ASN 78 HA ASN 78 5.153 -2.870 -11.527 575 HB2 ASN 78 HB2 ASN 78 4.134 -5.192 -13.185 576 HB3 ASN 78 HB3 ASN 78 3.118 -3.844 -12.595 577 HD21 ASN 78 HD21 ASN 78 4.211 -4.929 -15.306 578 HD22 ASN 78 HD22 ASN 78 4.576 -3.446 -16.157 579 H ALA 79 H ALA 79 4.577 -3.268 -9.319 580 HA ALA 79 HA ALA 79 4.357 -6.172 -8.533 581 HB1 ALA 79 HB1 ALA 79 5.383 -5.540 -6.428 582 HB2 ALA 79 HB2 ALA 79 6.458 -5.171 -7.753 583 HB3 ALA 79 HB3 ALA 79 5.553 -3.899 -6.953 584 H VAL 80 H VAL 80 2.700 -6.679 -7.127 585 HA VAL 80 HA VAL 80 0.905 -4.484 -6.256 586 HB VAL 80 HB VAL 80 0.078 -7.292 -7.210 587 HG11 VAL 80 HG11 VAL 80 -1.666 -4.997 -6.230 588 HG12 VAL 80 HG12 VAL 80 -2.212 -6.521 -6.918 589 HG13 VAL 80 HG13 VAL 80 -1.297 -6.488 -5.368 590 HG21 VAL 80 HG21 VAL 80 0.640 -5.762 -9.111 591 HG22 VAL 80 HG22 VAL 80 -1.093 -6.050 -9.021 592 HG23 VAL 80 HG23 VAL 80 -0.446 -4.545 -8.466 593 H SER 81 H SER 81 0.631 -4.431 -4.151 594 HA SER 81 HA SER 81 2.049 -6.338 -2.537 595 HB2 SER 81 HB2 SER 81 1.378 -4.968 -0.669 596 HB3 SER 81 HB3 SER 81 1.910 -3.902 -1.953 597 HG SER 81 HG SER 81 -0.013 -3.219 -1.004 598 H VAL 82 H VAL 82 0.982 -7.420 -0.623 599 HA VAL 82 HA VAL 82 -1.352 -8.890 -1.571 600 HB VAL 82 HB VAL 82 -1.428 -9.965 0.675 601 HG11 VAL 82 HG11 VAL 82 1.386 -9.766 -0.483 602 HG12 VAL 82 HG12 VAL 82 0.812 -10.951 0.725 603 HG13 VAL 82 HG13 VAL 82 0.099 -10.943 -0.873 604 HG21 VAL 82 HG21 VAL 82 0.214 -9.329 2.423 605 HG22 VAL 82 HG22 VAL 82 0.897 -8.038 1.357 606 HG23 VAL 82 HG23 VAL 82 -0.772 -7.919 1.995 607 H ASP 83 H ASP 83 -0.896 -5.864 -0.111 608 HA ASP 83 HA ASP 83 -3.629 -5.839 1.039 609 HB2 ASP 83 HB2 ASP 83 -1.575 -4.750 2.141 610 HB3 ASP 83 HB3 ASP 83 -1.705 -3.543 0.866 611 H THR 84 H THR 84 -2.975 -6.096 -1.860 612 HA THR 84 HA THR 84 -3.689 -5.590 -3.863 613 HB THR 84 HB THR 84 -5.869 -4.446 -4.221 614 HG1 THR 84 HG1 THR 84 -5.341 -3.514 -1.590 615 HG21 THR 84 HG21 THR 84 -7.297 -5.799 -2.697 616 HG22 THR 84 HG22 THR 84 -5.909 -6.126 -1.647 617 HG23 THR 84 HG23 THR 84 -5.961 -6.757 -3.316 618 H HIS 85 H HIS 85 -2.288 -2.995 -2.186 619 HA HIS 85 HA HIS 85 -2.775 -0.829 -4.038 620 HB2 HIS 85 HB2 HIS 85 -1.774 -0.597 -1.751 621 HB3 HIS 85 HB3 HIS 85 -0.275 -1.420 -2.333 622 HD1 HIS 85 HD1 HIS 85 -2.152 1.882 -2.695 623 HD2 HIS 85 HD2 HIS 85 1.486 0.133 -3.763 624 HE1 HIS 85 HE1 HIS 85 -0.648 3.727 -3.573 625 H LYS 86 H LYS 86 -1.628 -0.243 -5.946 626 HA LYS 86 HA LYS 86 0.193 -2.326 -7.056 627 HB2 LYS 86 HB2 LYS 86 -2.026 -2.077 -8.126 628 HB3 LYS 86 HB3 LYS 86 -1.653 -0.356 -8.456 629 HG2 LYS 86 HG2 LYS 86 0.242 -1.152 -9.951 630 HG3 LYS 86 HG3 LYS 86 -0.329 -2.806 -9.676 631 HD2 LYS 86 HD2 LYS 86 -1.998 -0.589 -10.933 632 HD3 LYS 86 HD3 LYS 86 -1.152 -1.883 -11.816 633 HE2 LYS 86 HE2 LYS 86 -2.522 -3.625 -10.549 634 HE3 LYS 86 HE3 LYS 86 -3.405 -2.286 -9.806 635 HZ1 LYS 86 HZ1 LYS 86 -4.602 -3.163 -11.650 636 HZ2 LYS 86 HZ2 LYS 86 -3.393 -2.815 -12.688 637 HZ3 LYS 86 HZ3 LYS 86 -4.220 -1.588 -11.929 638 H SER 87 H SER 87 2.212 -1.724 -7.906 639 HA SER 87 HA SER 87 2.810 1.210 -8.198 640 HB2 SER 87 HB2 SER 87 4.359 -0.761 -6.496 641 HB3 SER 87 HB3 SER 87 4.836 0.931 -6.867 642 HG SER 87 HG SER 87 2.473 1.187 -6.007 643 H ASN 88 H ASN 88 4.919 1.550 -9.356 644 HA ASN 88 HA ASN 88 5.920 -0.838 -10.791 645 HB2 ASN 88 HB2 ASN 88 5.938 0.237 -12.961 646 HB3 ASN 88 HB3 ASN 88 4.292 0.198 -12.324 647 HD21 ASN 88 HD21 ASN 88 6.429 2.046 -13.948 648 HD22 ASN 88 HD22 ASN 88 5.830 3.602 -13.491 649 H GLY 89 H GLY 89 8.019 -0.300 -12.012 650 HA2 GLY 89 HA2 GLY 89 9.371 2.165 -11.495 651 HA3 GLY 89 HA3 GLY 89 9.895 0.940 -10.346 652 H GLU 90 H GLU 90 11.838 1.862 -11.900 653 HA GLU 90 HA GLU 90 12.500 -0.440 -13.618 654 HB2 GLU 90 HB2 GLU 90 12.964 0.885 -15.586 655 HB3 GLU 90 HB3 GLU 90 11.269 1.048 -15.154 656 HG2 GLU 90 HG2 GLU 90 13.310 3.186 -14.515 657 HG3 GLU 90 HG3 GLU 90 12.315 3.141 -15.980 658 H TYR 91 H TYR 91 14.811 -0.624 -13.999 659 HA TYR 91 HA TYR 91 16.534 1.570 -13.153 660 HB2 TYR 91 HB2 TYR 91 17.785 0.262 -11.473 661 HB3 TYR 91 HB3 TYR 91 16.117 0.475 -10.978 662 HD1 TYR 91 HD1 TYR 91 18.736 -1.942 -11.929 663 HD2 TYR 91 HD2 TYR 91 14.555 -1.511 -10.955 664 HE1 TYR 91 HE1 TYR 91 18.612 -4.405 -11.485 665 HE2 TYR 91 HE2 TYR 91 14.434 -4.007 -10.526 666 HH TYR 91 HH TYR 91 15.615 -6.005 -10.448 667 H SER 92 H SER 92 18.894 1.051 -13.703 668 HA SER 92 HA SER 92 19.073 -1.197 -15.653 669 HB2 SER 92 HB2 SER 92 20.199 0.291 -17.287 670 HB3 SER 92 HB3 SER 92 18.576 0.877 -16.900 671 HG SER 92 HG SER 92 21.093 1.926 -16.143 672 H PHE 93 H PHE 93 21.223 -1.921 -16.108 673 HA PHE 93 HA PHE 93 23.431 -0.958 -14.432 674 HB2 PHE 93 HB2 PHE 93 23.669 -2.978 -13.089 675 HB3 PHE 93 HB3 PHE 93 22.076 -2.312 -12.816 676 HD1 PHE 93 HD1 PHE 93 23.964 -5.077 -14.379 677 HD2 PHE 93 HD2 PHE 93 20.051 -3.531 -13.438 678 HE1 PHE 93 HE1 PHE 93 22.904 -7.297 -14.994 679 HE2 PHE 93 HE2 PHE 93 19.013 -5.676 -14.034 680 HZ PHE 93 HZ PHE 93 20.444 -7.547 -14.815 681 H LYS 94 H LYS 94 25.441 -2.404 -14.801 682 HA LYS 94 HA LYS 94 25.262 -3.617 -17.530 683 HB2 LYS 94 HB2 LYS 94 26.551 -1.498 -17.436 684 HB3 LYS 94 HB3 LYS 94 27.654 -2.221 -16.255 685 HG2 LYS 94 HG2 LYS 94 28.330 -3.882 -17.948 686 HG3 LYS 94 HG3 LYS 94 27.191 -3.169 -19.150 687 HD2 LYS 94 HD2 LYS 94 28.443 -0.995 -18.962 688 HD3 LYS 94 HD3 LYS 94 29.608 -1.824 -17.882 689 HE2 LYS 94 HE2 LYS 94 30.045 -3.522 -19.734 690 HE3 LYS 94 HE3 LYS 94 28.906 -2.634 -20.779 691 HZ1 LYS 94 HZ1 LYS 94 30.366 -0.688 -20.504 692 HZ2 LYS 94 HZ2 LYS 94 31.043 -1.970 -21.340 693 HZ3 LYS 94 HZ3 LYS 94 31.489 -1.682 -19.787 694 H VAL 95 H VAL 95 26.036 -5.699 -17.764 695 HA VAL 95 HA VAL 95 26.927 -7.068 -15.289 696 HB VAL 95 HB VAL 95 26.510 -8.195 -18.078 697 HG11 VAL 95 HG11 VAL 95 26.618 -10.412 -16.998 698 HG12 VAL 95 HG12 VAL 95 28.155 -9.554 -16.807 699 HG13 VAL 95 HG13 VAL 95 27.004 -9.654 -15.437 700 HG21 VAL 95 HG21 VAL 95 24.829 -8.478 -15.553 701 HG22 VAL 95 HG22 VAL 95 24.429 -7.358 -16.949 702 HG23 VAL 95 HG23 VAL 95 24.455 -9.137 -17.198 703 H GLY 96 H GLY 96 29.021 -7.602 -14.817 704 HA2 GLY 96 HA2 GLY 96 30.999 -8.425 -16.454 705 HA3 GLY 96 HA3 GLY 96 31.207 -6.666 -16.517 706 H GLN 97 H GLN 97 33.059 -8.554 -15.263 707 HA GLN 97 HA GLN 97 32.463 -8.545 -12.389 708 HB2 GLN 97 HB2 GLN 97 35.012 -9.258 -13.944 709 HB3 GLN 97 HB3 GLN 97 34.731 -9.573 -12.197 710 HG2 GLN 97 HG2 GLN 97 32.840 -11.064 -12.760 711 HG3 GLN 97 HG3 GLN 97 33.120 -10.776 -14.471 712 HE21 GLN 97 HE21 GLN 97 35.533 -11.202 -15.086 713 HE22 GLN 97 HE22 GLN 97 36.166 -12.688 -14.477 Start of MODEL 19 1 H1 HIS 1 H1 HIS 1 1.763 1.674 -0.521 2 H2 HIS 1 H2 HIS 1 0.380 1.275 -1.358 3 H3 HIS 1 H3 HIS 1 1.182 0.100 -0.489 4 HA HIS 1 HA HIS 1 1.630 -0.070 -2.929 5 HB2 HIS 1 HB2 HIS 1 2.813 2.685 -2.353 6 HB3 HIS 1 HB3 HIS 1 3.164 1.781 -3.814 7 HD1 HIS 1 HD1 HIS 1 0.409 3.772 -2.039 8 HD2 HIS 1 HD2 HIS 1 1.052 1.755 -5.677 9 HE1 HIS 1 HE1 HIS 1 -1.462 4.409 -3.593 10 H ALA 2 H ALA 2 3.695 -0.849 -3.654 11 HA ALA 2 HA ALA 2 5.458 -1.483 -1.298 12 HB1 ALA 2 HB1 ALA 2 5.066 -2.845 -4.022 13 HB2 ALA 2 HB2 ALA 2 6.213 -3.354 -2.778 14 HB3 ALA 2 HB3 ALA 2 4.476 -3.428 -2.438 15 H HIS 3 H HIS 3 7.253 -0.223 -1.134 16 HA HIS 3 HA HIS 3 8.564 0.724 -3.640 17 HB2 HIS 3 HB2 HIS 3 8.917 1.650 -0.758 18 HB3 HIS 3 HB3 HIS 3 9.706 2.353 -2.213 19 HD1 HIS 3 HD1 HIS 3 7.843 3.421 -4.049 20 HD2 HIS 3 HD2 HIS 3 6.533 2.754 -0.124 21 HE1 HIS 3 HE1 HIS 3 5.737 4.793 -3.673 22 H LEU 4 H LEU 4 10.777 0.328 -4.017 23 HA LEU 4 HA LEU 4 11.786 -2.210 -2.935 24 HB2 LEU 4 HB2 LEU 4 11.885 -1.469 -5.245 25 HB3 LEU 4 HB3 LEU 4 12.883 -0.121 -4.853 26 HG LEU 4 HG LEU 4 13.748 -2.995 -4.617 27 HD11 LEU 4 HD11 LEU 4 13.168 -2.456 -6.909 28 HD12 LEU 4 HD12 LEU 4 14.928 -2.594 -6.724 29 HD13 LEU 4 HD13 LEU 4 14.148 -0.978 -6.816 30 HD21 LEU 4 HD21 LEU 4 16.036 -1.954 -4.778 31 HD22 LEU 4 HD22 LEU 4 15.196 -1.539 -3.267 32 HD23 LEU 4 HD23 LEU 4 15.304 -0.354 -4.594 33 H LYS 5 H LYS 5 13.211 -2.446 -1.231 34 HA LYS 5 HA LYS 5 14.579 0.018 -0.216 35 HB2 LYS 5 HB2 LYS 5 13.900 -2.539 1.257 36 HB3 LYS 5 HB3 LYS 5 14.837 -1.209 1.943 37 HG2 LYS 5 HG2 LYS 5 12.844 0.306 1.641 38 HG3 LYS 5 HG3 LYS 5 11.967 -1.084 0.993 39 HD2 LYS 5 HD2 LYS 5 11.347 -0.822 3.338 40 HD3 LYS 5 HD3 LYS 5 12.278 -2.304 3.153 41 HE2 LYS 5 HE2 LYS 5 13.017 -1.133 5.155 42 HE3 LYS 5 HE3 LYS 5 14.317 -1.058 3.988 43 HZ1 LYS 5 HZ1 LYS 5 13.853 1.169 3.563 44 HZ2 LYS 5 HZ2 LYS 5 13.635 1.083 5.171 45 HZ3 LYS 5 HZ3 LYS 5 12.347 1.121 4.185 46 H SER 6 H SER 6 15.123 -3.192 -1.517 47 HA SER 6 HA SER 6 17.985 -2.690 -1.503 48 HB2 SER 6 HB2 SER 6 17.676 -3.738 0.689 49 HB3 SER 6 HB3 SER 6 16.775 -5.097 -0.060 50 HG SER 6 HG SER 6 19.101 -5.365 0.461 51 H ALA 7 H ALA 7 19.104 -4.150 -2.986 52 HA ALA 7 HA ALA 7 17.511 -6.096 -4.434 53 HB1 ALA 7 HB1 ALA 7 16.782 -3.978 -5.529 54 HB2 ALA 7 HB2 ALA 7 18.489 -3.515 -5.816 55 HB3 ALA 7 HB3 ALA 7 17.763 -4.918 -6.675 56 H THR 8 H THR 8 18.525 -7.092 -6.147 57 HA THR 8 HA THR 8 21.380 -7.667 -5.816 58 HB THR 8 HB THR 8 19.209 -8.874 -7.639 59 HG1 THR 8 HG1 THR 8 18.685 -9.067 -5.412 60 HG21 THR 8 HG21 THR 8 21.877 -9.998 -6.762 61 HG22 THR 8 HG22 THR 8 21.271 -9.739 -8.448 62 HG23 THR 8 HG23 THR 8 20.546 -10.980 -7.394 63 HA PRO 9 HA PRO 9 23.448 -5.224 -9.061 64 HB2 PRO 9 HB2 PRO 9 21.678 -6.460 -11.140 65 HB3 PRO 9 HB3 PRO 9 23.429 -6.066 -11.078 66 HG2 PRO 9 HG2 PRO 9 22.124 -8.620 -9.974 67 HG3 PRO 9 HG3 PRO 9 23.872 -8.371 -10.229 68 HD2 PRO 9 HD2 PRO 9 22.897 -8.403 -7.700 69 HD3 PRO 9 HD3 PRO 9 24.094 -7.140 -8.164 70 H ALA 10 H ALA 10 22.592 -3.718 -7.715 71 HA ALA 10 HA ALA 10 20.250 -2.244 -8.179 72 HB1 ALA 10 HB1 ALA 10 21.767 -2.348 -6.093 73 HB2 ALA 10 HB2 ALA 10 22.774 -1.105 -6.897 74 HB3 ALA 10 HB3 ALA 10 21.045 -0.809 -6.512 75 H ALA 11 H ALA 11 20.331 0.134 -8.691 76 HA ALA 11 HA ALA 11 21.178 0.505 -11.325 77 HB1 ALA 11 HB1 ALA 11 19.468 1.886 -10.408 78 HB2 ALA 11 HB2 ALA 11 20.576 2.497 -9.187 79 HB3 ALA 11 HB3 ALA 11 20.802 2.928 -10.893 80 H ASP 12 H ASP 12 22.773 1.360 -12.396 81 HA ASP 12 HA ASP 12 24.879 1.925 -13.000 82 HB2 ASP 12 HB2 ASP 12 24.199 3.967 -11.523 83 HB3 ASP 12 HB3 ASP 12 25.245 3.257 -10.294 84 H SER 13 H SER 13 24.480 -0.550 -11.089 85 HA SER 13 HA SER 13 27.196 -0.788 -10.008 86 HB2 SER 13 HB2 SER 13 26.532 -2.966 -9.233 87 HB3 SER 13 HB3 SER 13 25.290 -1.807 -8.817 88 HG SER 13 HG SER 13 23.960 -2.638 -10.350 89 H THR 14 H THR 14 28.739 -2.363 -10.671 90 HA THR 14 HA THR 14 28.274 -3.395 -13.432 91 HB THR 14 HB THR 14 30.952 -2.769 -12.129 92 HG1 THR 14 HG1 THR 14 30.993 -1.044 -13.544 93 HG21 THR 14 HG21 THR 14 30.306 -3.633 -14.928 94 HG22 THR 14 HG22 THR 14 31.131 -4.606 -13.687 95 HG23 THR 14 HG23 THR 14 31.880 -3.125 -14.307 96 H VAL 15 H VAL 15 27.894 -5.594 -13.316 97 HA VAL 15 HA VAL 15 29.146 -7.037 -11.026 98 HB VAL 15 HB VAL 15 27.007 -8.307 -10.799 99 HG11 VAL 15 HG11 VAL 15 25.727 -6.537 -9.680 100 HG12 VAL 15 HG12 VAL 15 27.416 -6.152 -9.505 101 HG13 VAL 15 HG13 VAL 15 26.456 -5.273 -10.671 102 HG21 VAL 15 HG21 VAL 15 25.847 -6.382 -12.899 103 HG22 VAL 15 HG22 VAL 15 26.207 -8.100 -13.201 104 HG23 VAL 15 HG23 VAL 15 24.965 -7.632 -12.017 105 H ALA 16 H ALA 16 29.137 -9.356 -11.125 106 HA ALA 16 HA ALA 16 29.910 -10.511 -13.736 107 HB1 ALA 16 HB1 ALA 16 30.173 -12.566 -12.354 108 HB2 ALA 16 HB2 ALA 16 31.067 -11.222 -11.648 109 HB3 ALA 16 HB3 ALA 16 29.506 -11.697 -10.952 110 H ALA 17 H ALA 17 28.464 -12.370 -14.644 111 HA ALA 17 HA ALA 17 25.731 -11.558 -14.430 112 HB1 ALA 17 HB1 ALA 17 25.207 -13.633 -15.714 113 HB2 ALA 17 HB2 ALA 17 26.503 -12.668 -16.459 114 HB3 ALA 17 HB3 ALA 17 26.900 -14.144 -15.540 115 HA PRO 18 HA PRO 18 24.864 -13.850 -10.668 116 HB2 PRO 18 HB2 PRO 18 22.376 -12.980 -10.167 117 HB3 PRO 18 HB3 PRO 18 23.777 -11.903 -10.015 118 HG2 PRO 18 HG2 PRO 18 21.867 -12.269 -12.297 119 HG3 PRO 18 HG3 PRO 18 22.346 -10.723 -11.503 120 HD2 PRO 18 HD2 PRO 18 23.498 -11.588 -13.791 121 HD3 PRO 18 HD3 PRO 18 24.415 -10.696 -12.543 122 H ALA 19 H ALA 19 23.428 -15.649 -9.909 123 HA ALA 19 HA ALA 19 22.480 -17.278 -12.140 124 HB1 ALA 19 HB1 ALA 19 22.433 -17.593 -9.072 125 HB2 ALA 19 HB2 ALA 19 21.642 -18.762 -10.132 126 HB3 ALA 19 HB3 ALA 19 23.394 -18.507 -10.244 127 H ASP 20 H ASP 20 21.061 -15.166 -9.626 128 HA ASP 20 HA ASP 20 18.508 -15.034 -11.141 129 HB2 ASP 20 HB2 ASP 20 17.125 -15.554 -9.183 130 HB3 ASP 20 HB3 ASP 20 18.212 -16.901 -9.499 131 H LEU 21 H LEU 21 17.166 -13.185 -10.279 132 HA LEU 21 HA LEU 21 18.923 -11.092 -8.996 133 HB2 LEU 21 HB2 LEU 21 16.571 -10.737 -10.895 134 HB3 LEU 21 HB3 LEU 21 17.472 -9.457 -10.086 135 HG LEU 21 HG LEU 21 19.495 -9.981 -11.415 136 HD11 LEU 21 HD11 LEU 21 19.230 -12.221 -12.172 137 HD12 LEU 21 HD12 LEU 21 19.130 -11.196 -13.600 138 HD13 LEU 21 HD13 LEU 21 17.655 -11.863 -12.910 139 HD21 LEU 21 HD21 LEU 21 17.885 -8.163 -12.027 140 HD22 LEU 21 HD22 LEU 21 17.010 -9.379 -13.063 141 HD23 LEU 21 HD23 LEU 21 18.672 -8.913 -13.454 142 H ARG 22 H ARG 22 18.116 -10.324 -7.040 143 HA ARG 22 HA ARG 22 15.370 -11.182 -6.264 144 HB2 ARG 22 HB2 ARG 22 17.797 -10.834 -4.525 145 HB3 ARG 22 HB3 ARG 22 16.201 -11.354 -3.984 146 HG2 ARG 22 HG2 ARG 22 16.394 -13.381 -5.406 147 HG3 ARG 22 HG3 ARG 22 18.022 -12.843 -5.939 148 HD2 ARG 22 HD2 ARG 22 18.782 -12.879 -3.624 149 HD3 ARG 22 HD3 ARG 22 17.205 -13.609 -3.113 150 HE ARG 22 HE ARG 22 18.267 -15.161 -5.255 151 HH11 ARG 22 HH11 ARG 22 19.011 -14.550 -1.818 152 HH12 ARG 22 HH12 ARG 22 19.961 -16.021 -1.719 153 HH21 ARG 22 HH21 ARG 22 19.397 -17.032 -4.905 154 HH22 ARG 22 HH22 ARG 22 20.093 -17.426 -3.367 155 H LEU 23 H LEU 23 14.018 -9.637 -5.411 156 HA LEU 23 HA LEU 23 15.186 -6.917 -4.991 157 HB2 LEU 23 HB2 LEU 23 12.466 -7.538 -6.159 158 HB3 LEU 23 HB3 LEU 23 13.019 -5.944 -5.695 159 HG LEU 23 HG LEU 23 14.666 -5.990 -7.517 160 HD11 LEU 23 HD11 LEU 23 15.087 -8.286 -8.036 161 HD12 LEU 23 HD12 LEU 23 14.196 -7.616 -9.409 162 HD13 LEU 23 HD13 LEU 23 13.337 -8.632 -8.262 163 HD21 LEU 23 HD21 LEU 23 12.401 -5.000 -7.668 164 HD22 LEU 23 HD22 LEU 23 11.776 -6.505 -8.382 165 HD23 LEU 23 HD23 LEU 23 13.015 -5.544 -9.274 166 H THR 24 H THR 24 14.530 -5.930 -2.978 167 HA THR 24 HA THR 24 12.612 -7.569 -1.358 168 HB THR 24 HB THR 24 14.815 -5.750 -0.308 169 HG1 THR 24 HG1 THR 24 15.587 -7.953 0.370 170 HG21 THR 24 HG21 THR 24 14.331 -6.901 1.835 171 HG22 THR 24 HG22 THR 24 12.986 -7.748 1.061 172 HG23 THR 24 HG23 THR 24 12.950 -5.990 1.274 173 H PHE 25 H PHE 25 10.748 -6.618 -0.832 174 HA PHE 25 HA PHE 25 10.593 -3.621 -0.973 175 HB2 PHE 25 HB2 PHE 25 8.369 -5.699 -1.407 176 HB3 PHE 25 HB3 PHE 25 8.194 -3.963 -1.533 177 HD1 PHE 25 HD1 PHE 25 9.071 -2.737 -3.499 178 HD2 PHE 25 HD2 PHE 25 9.469 -7.008 -3.098 179 HE1 PHE 25 HE1 PHE 25 9.691 -2.882 -5.920 180 HE2 PHE 25 HE2 PHE 25 10.140 -7.168 -5.510 181 HZ PHE 25 HZ PHE 25 10.216 -5.078 -6.941 182 H SER 26 H SER 26 9.232 -2.573 0.710 183 HA SER 26 HA SER 26 9.465 -3.868 3.313 184 HB2 SER 26 HB2 SER 26 9.476 -1.426 2.973 185 HB3 SER 26 HB3 SER 26 7.775 -1.455 2.517 186 HG SER 26 HG SER 26 7.914 -0.962 4.689 187 H GLU 27 H GLU 27 6.695 -3.170 1.199 188 HA GLU 27 HA GLU 27 4.751 -4.554 2.862 189 HB2 GLU 27 HB2 GLU 27 4.294 -2.548 1.456 190 HB3 GLU 27 HB3 GLU 27 4.667 -3.499 0.013 191 HG2 GLU 27 HG2 GLU 27 2.334 -3.411 0.169 192 HG3 GLU 27 HG3 GLU 27 2.777 -5.041 0.695 193 H GLY 28 H GLY 28 3.988 -6.744 2.427 194 HA2 GLY 28 HA2 GLY 28 5.717 -8.400 0.874 195 HA3 GLY 28 HA3 GLY 28 4.142 -8.880 1.565 196 H VAL 29 H VAL 29 5.247 -9.550 -1.123 197 HA VAL 29 HA VAL 29 3.189 -8.108 -2.745 198 HB VAL 29 HB VAL 29 4.696 -8.345 -4.694 199 HG11 VAL 29 HG11 VAL 29 4.748 -6.248 -3.412 200 HG12 VAL 29 HG12 VAL 29 6.029 -6.932 -2.355 201 HG13 VAL 29 HG13 VAL 29 6.387 -6.665 -4.056 202 HG21 VAL 29 HG21 VAL 29 5.934 -10.386 -3.950 203 HG22 VAL 29 HG22 VAL 29 7.001 -9.081 -4.506 204 HG23 VAL 29 HG23 VAL 29 6.823 -9.369 -2.741 205 H GLU 30 H GLU 30 2.345 -9.221 -4.579 206 HA GLU 30 HA GLU 30 1.912 -12.132 -4.084 207 HB2 GLU 30 HB2 GLU 30 0.489 -10.062 -5.830 208 HB3 GLU 30 HB3 GLU 30 0.070 -11.797 -5.781 209 HG2 GLU 30 HG2 GLU 30 0.022 -10.142 -3.246 210 HG3 GLU 30 HG3 GLU 30 -1.350 -10.161 -4.421 211 H ALA 31 H ALA 31 3.612 -13.240 -5.192 212 HA ALA 31 HA ALA 31 4.904 -12.306 -7.513 213 HB1 ALA 31 HB1 ALA 31 4.589 -15.138 -6.447 214 HB2 ALA 31 HB2 ALA 31 5.678 -14.705 -7.787 215 HB3 ALA 31 HB3 ALA 31 5.941 -14.003 -6.177 216 H THR 32 H THR 32 1.874 -14.055 -7.248 217 HA THR 32 HA THR 32 1.688 -15.059 -9.887 218 HB THR 32 HB THR 32 -0.519 -14.124 -7.963 219 HG1 THR 32 HG1 THR 32 -0.361 -16.660 -7.750 220 HG21 THR 32 HG21 THR 32 -1.884 -15.969 -9.059 221 HG22 THR 32 HG22 THR 32 -0.590 -16.138 -10.255 222 HG23 THR 32 HG23 THR 32 -1.520 -14.640 -10.134 223 H PHE 33 H PHE 33 0.928 -11.827 -8.523 224 HA PHE 33 HA PHE 33 -0.118 -10.995 -11.170 225 HB2 PHE 33 HB2 PHE 33 -0.378 -9.589 -8.514 226 HB3 PHE 33 HB3 PHE 33 -1.136 -9.075 -10.049 227 HD1 PHE 33 HD1 PHE 33 -2.869 -10.592 -11.120 228 HD2 PHE 33 HD2 PHE 33 -1.403 -11.178 -7.121 229 HE1 PHE 33 HE1 PHE 33 -4.910 -11.937 -10.587 230 HE2 PHE 33 HE2 PHE 33 -3.358 -12.598 -6.617 231 HZ PHE 33 HZ PHE 33 -5.136 -12.914 -8.316 232 H THR 34 H THR 34 2.721 -10.955 -9.509 233 HA THR 34 HA THR 34 3.674 -8.285 -10.215 234 HB THR 34 HB THR 34 5.197 -10.800 -9.453 235 HG1 THR 34 HG1 THR 34 3.798 -10.052 -7.757 236 HG21 THR 34 HG21 THR 34 6.710 -9.130 -10.487 237 HG22 THR 34 HG22 THR 34 7.036 -9.279 -8.778 238 HG23 THR 34 HG23 THR 34 6.129 -7.902 -9.354 239 H LYS 35 H LYS 35 4.854 -7.721 -12.027 240 HA LYS 35 HA LYS 35 5.434 -9.872 -13.988 241 HB2 LYS 35 HB2 LYS 35 3.358 -8.696 -14.631 242 HB3 LYS 35 HB3 LYS 35 4.265 -7.179 -14.677 243 HG2 LYS 35 HG2 LYS 35 5.688 -8.119 -16.485 244 HG3 LYS 35 HG3 LYS 35 4.718 -9.615 -16.458 245 HD2 LYS 35 HD2 LYS 35 2.729 -8.301 -16.962 246 HD3 LYS 35 HD3 LYS 35 3.710 -6.829 -17.095 247 HE2 LYS 35 HE2 LYS 35 5.043 -7.900 -18.875 248 HE3 LYS 35 HE3 LYS 35 4.003 -9.347 -18.791 249 HZ1 LYS 35 HZ1 LYS 35 2.982 -6.692 -19.356 250 HZ2 LYS 35 HZ2 LYS 35 2.205 -8.154 -19.563 251 HZ3 LYS 35 HZ3 LYS 35 3.477 -7.735 -20.531 252 H VAL 36 H VAL 36 7.591 -9.836 -14.701 253 HA VAL 36 HA VAL 36 9.037 -7.248 -14.403 254 HB VAL 36 HB VAL 36 10.132 -9.963 -13.560 255 HG11 VAL 36 HG11 VAL 36 12.094 -8.454 -12.749 256 HG12 VAL 36 HG12 VAL 36 12.006 -8.728 -14.483 257 HG13 VAL 36 HG13 VAL 36 11.441 -7.195 -13.795 258 HG21 VAL 36 HG21 VAL 36 9.223 -7.523 -11.934 259 HG22 VAL 36 HG22 VAL 36 8.672 -9.194 -11.763 260 HG23 VAL 36 HG23 VAL 36 10.317 -8.744 -11.287 261 H SER 37 H SER 37 10.263 -6.737 -16.152 262 HA SER 37 HA SER 37 10.939 -8.859 -18.044 263 HB2 SER 37 HB2 SER 37 10.055 -6.038 -18.758 264 HB3 SER 37 HB3 SER 37 10.703 -7.224 -19.920 265 HG SER 37 HG SER 37 8.217 -7.072 -18.835 266 H LEU 38 H LEU 38 12.878 -8.778 -19.003 267 HA LEU 38 HA LEU 38 14.889 -6.819 -17.929 268 HB2 LEU 38 HB2 LEU 38 14.993 -9.047 -16.785 269 HB3 LEU 38 HB3 LEU 38 15.117 -9.797 -18.361 270 HG LEU 38 HG LEU 38 17.352 -8.782 -18.725 271 HD11 LEU 38 HD11 LEU 38 18.588 -7.813 -16.970 272 HD12 LEU 38 HD12 LEU 38 17.288 -8.011 -15.799 273 HD13 LEU 38 HD13 LEU 38 17.126 -6.856 -17.119 274 HD21 LEU 38 HD21 LEU 38 17.006 -10.426 -16.175 275 HD22 LEU 38 HD22 LEU 38 18.523 -10.254 -17.147 276 HD23 LEU 38 HD23 LEU 38 17.061 -11.001 -17.852 277 H SER 39 H SER 39 16.173 -5.948 -19.555 278 HA SER 39 HA SER 39 16.014 -7.355 -22.185 279 HB2 SER 39 HB2 SER 39 15.755 -4.315 -21.756 280 HB3 SER 39 HB3 SER 39 15.834 -5.137 -23.317 281 HG SER 39 HG SER 39 13.698 -4.938 -22.928 282 H LYS 40 H LYS 40 17.730 -7.277 -23.501 283 HA LYS 40 HA LYS 40 20.302 -6.310 -22.307 284 HB2 LYS 40 HB2 LYS 40 21.382 -7.968 -23.756 285 HB3 LYS 40 HB3 LYS 40 20.215 -8.679 -22.702 286 HG2 LYS 40 HG2 LYS 40 18.558 -8.864 -24.564 287 HG3 LYS 40 HG3 LYS 40 19.731 -8.202 -25.682 288 HD2 LYS 40 HD2 LYS 40 21.262 -10.014 -25.337 289 HD3 LYS 40 HD3 LYS 40 20.168 -10.759 -24.150 290 HE2 LYS 40 HE2 LYS 40 18.400 -10.947 -25.794 291 HE3 LYS 40 HE3 LYS 40 19.445 -10.234 -27.048 292 HZ1 LYS 40 HZ1 LYS 40 20.112 -12.744 -25.625 293 HZ2 LYS 40 HZ2 LYS 40 20.887 -12.128 -26.964 294 HZ3 LYS 40 HZ3 LYS 40 19.336 -12.720 -27.066 295 H ASP 41 H ASP 41 20.670 -4.253 -23.022 296 HA ASP 41 HA ASP 41 20.986 -2.507 -24.475 297 HB2 ASP 41 HB2 ASP 41 21.572 -4.733 -26.431 298 HB3 ASP 41 HB3 ASP 41 21.903 -3.049 -26.720 299 H GLY 42 H GLY 42 18.285 -3.364 -24.103 300 HA2 GLY 42 HA2 GLY 42 16.322 -2.460 -24.970 301 HA3 GLY 42 HA3 GLY 42 17.098 -2.173 -26.513 302 H THR 43 H THR 43 17.493 -5.501 -25.563 303 HA THR 43 HA THR 43 14.997 -6.258 -27.114 304 HB THR 43 HB THR 43 17.691 -7.782 -26.966 305 HG1 THR 43 HG1 THR 43 18.015 -6.053 -28.316 306 HG21 THR 43 HG21 THR 43 15.805 -9.267 -27.214 307 HG22 THR 43 HG22 THR 43 16.728 -9.182 -28.728 308 HG23 THR 43 HG23 THR 43 15.194 -8.292 -28.553 309 H GLU 44 H GLU 44 13.542 -7.533 -25.869 310 HA GLU 44 HA GLU 44 14.150 -8.016 -23.095 311 HB2 GLU 44 HB2 GLU 44 11.891 -9.151 -24.825 312 HB3 GLU 44 HB3 GLU 44 12.120 -9.435 -23.114 313 HG2 GLU 44 HG2 GLU 44 11.994 -7.004 -22.674 314 HG3 GLU 44 HG3 GLU 44 11.591 -6.667 -24.342 315 H VAL 45 H VAL 45 14.620 -9.746 -21.892 316 HA VAL 45 HA VAL 45 15.765 -12.117 -23.319 317 HB VAL 45 HB VAL 45 16.304 -10.979 -20.486 318 HG11 VAL 45 HG11 VAL 45 18.224 -12.610 -20.518 319 HG12 VAL 45 HG12 VAL 45 16.625 -13.358 -20.419 320 HG13 VAL 45 HG13 VAL 45 17.532 -13.350 -21.974 321 HG21 VAL 45 HG21 VAL 45 18.036 -10.936 -23.016 322 HG22 VAL 45 HG22 VAL 45 17.285 -9.548 -22.201 323 HG23 VAL 45 HG23 VAL 45 18.571 -10.474 -21.389 324 H ALA 46 H ALA 46 14.816 -14.078 -22.835 325 HA ALA 46 HA ALA 46 12.255 -14.110 -21.693 326 HB1 ALA 46 HB1 ALA 46 12.807 -15.703 -23.355 327 HB2 ALA 46 HB2 ALA 46 14.218 -16.291 -22.468 328 HB3 ALA 46 HB3 ALA 46 12.585 -16.644 -21.862 329 H ILE 47 H ILE 47 11.463 -15.029 -19.790 330 HA ILE 47 HA ILE 47 13.410 -15.193 -17.547 331 HB ILE 47 HB ILE 47 10.540 -14.160 -17.549 332 HG12 ILE 47 HG12 ILE 47 12.075 -12.568 -18.649 333 HG13 ILE 47 HG13 ILE 47 11.511 -11.941 -17.110 334 HG21 ILE 47 HG21 ILE 47 12.554 -14.370 -15.278 335 HG22 ILE 47 HG22 ILE 47 11.079 -13.360 -15.218 336 HG23 ILE 47 HG23 ILE 47 10.920 -15.114 -15.405 337 HD11 ILE 47 HD11 ILE 47 13.901 -11.449 -17.460 338 HD12 ILE 47 HD12 ILE 47 13.724 -12.580 -16.096 339 HD13 ILE 47 HD13 ILE 47 14.289 -13.133 -17.687 340 H LYS 48 H LYS 48 13.372 -17.066 -16.325 341 HA LYS 48 HA LYS 48 11.866 -19.329 -17.326 342 HB2 LYS 48 HB2 LYS 48 14.102 -19.354 -16.050 343 HB3 LYS 48 HB3 LYS 48 13.221 -18.918 -14.590 344 HG2 LYS 48 HG2 LYS 48 13.653 -21.229 -14.364 345 HG3 LYS 48 HG3 LYS 48 11.953 -21.089 -14.786 346 HD2 LYS 48 HD2 LYS 48 12.792 -22.963 -15.981 347 HD3 LYS 48 HD3 LYS 48 12.608 -21.656 -17.180 348 HE2 LYS 48 HE2 LYS 48 14.984 -21.115 -16.961 349 HE3 LYS 48 HE3 LYS 48 15.185 -22.449 -15.781 350 HZ1 LYS 48 HZ1 LYS 48 15.787 -23.050 -18.117 351 HZ2 LYS 48 HZ2 LYS 48 14.258 -22.758 -18.609 352 HZ3 LYS 48 HZ3 LYS 48 14.560 -23.996 -17.548 353 H GLY 49 H GLY 49 11.402 -17.037 -14.634 354 HA2 GLY 49 HA2 GLY 49 8.634 -17.118 -14.535 355 HA3 GLY 49 HA3 GLY 49 9.139 -18.409 -13.430 356 H LEU 50 H LEU 50 7.983 -16.631 -11.992 357 HA LEU 50 HA LEU 50 10.238 -15.396 -10.602 358 HB2 LEU 50 HB2 LEU 50 9.336 -13.236 -10.258 359 HB3 LEU 50 HB3 LEU 50 9.402 -13.533 -12.004 360 HG LEU 50 HG LEU 50 6.921 -13.654 -10.305 361 HD11 LEU 50 HD11 LEU 50 6.506 -11.474 -11.388 362 HD12 LEU 50 HD12 LEU 50 8.044 -11.582 -12.213 363 HD13 LEU 50 HD13 LEU 50 7.959 -11.448 -10.454 364 HD21 LEU 50 HD21 LEU 50 5.719 -13.471 -12.472 365 HD22 LEU 50 HD22 LEU 50 6.546 -15.025 -12.251 366 HD23 LEU 50 HD23 LEU 50 7.259 -13.766 -13.313 367 H GLU 51 H GLU 51 9.926 -15.313 -8.332 368 HA GLU 51 HA GLU 51 7.371 -16.399 -7.238 369 HB2 GLU 51 HB2 GLU 51 8.472 -18.376 -6.341 370 HB3 GLU 51 HB3 GLU 51 8.657 -18.357 -8.094 371 HG2 GLU 51 HG2 GLU 51 10.941 -17.471 -7.906 372 HG3 GLU 51 HG3 GLU 51 10.848 -17.532 -6.146 373 H THR 52 H THR 52 7.569 -16.797 -4.873 374 HA THR 52 HA THR 52 9.697 -15.164 -3.487 375 HB THR 52 HB THR 52 8.087 -14.754 -1.675 376 HG1 THR 52 HG1 THR 52 6.729 -16.578 -2.286 377 HG21 THR 52 HG21 THR 52 6.828 -13.022 -2.629 378 HG22 THR 52 HG22 THR 52 6.786 -13.804 -4.221 379 HG23 THR 52 HG23 THR 52 8.338 -13.128 -3.579 380 HA PRO 53 HA PRO 53 9.963 -19.530 -2.342 381 HB2 PRO 53 HB2 PRO 53 12.615 -19.813 -1.851 382 HB3 PRO 53 HB3 PRO 53 11.959 -19.704 -3.514 383 HG2 PRO 53 HG2 PRO 53 13.173 -17.558 -1.745 384 HG3 PRO 53 HG3 PRO 53 13.610 -18.004 -3.429 385 HD2 PRO 53 HD2 PRO 53 11.901 -15.936 -2.884 386 HD3 PRO 53 HD3 PRO 53 11.652 -16.942 -4.344 387 H ASP 54 H ASP 54 11.089 -16.702 -0.544 388 HA ASP 54 HA ASP 54 11.700 -18.062 1.933 389 HB2 ASP 54 HB2 ASP 54 12.496 -15.851 1.049 390 HB3 ASP 54 HB3 ASP 54 10.951 -15.132 1.487 391 H ALA 55 H ALA 55 10.298 -18.123 3.850 392 HA ALA 55 HA ALA 55 7.520 -18.661 3.298 393 HB1 ALA 55 HB1 ALA 55 7.281 -18.700 5.773 394 HB2 ALA 55 HB2 ALA 55 8.719 -19.616 5.293 395 HB3 ALA 55 HB3 ALA 55 8.903 -17.995 5.974 396 H ASP 56 H ASP 56 9.295 -15.845 4.461 397 HA ASP 56 HA ASP 56 6.903 -14.170 4.705 398 HB2 ASP 56 HB2 ASP 56 9.900 -13.542 4.778 399 HB3 ASP 56 HB3 ASP 56 8.588 -12.299 4.959 400 H LYS 57 H LYS 57 6.385 -12.436 3.204 401 HA LYS 57 HA LYS 57 7.279 -13.240 0.492 402 HB2 LYS 57 HB2 LYS 57 4.745 -11.895 1.441 403 HB3 LYS 57 HB3 LYS 57 5.018 -12.399 -0.190 404 HG2 LYS 57 HG2 LYS 57 5.166 -14.751 0.545 405 HG3 LYS 57 HG3 LYS 57 4.902 -14.228 2.199 406 HD2 LYS 57 HD2 LYS 57 2.747 -13.347 1.612 407 HD3 LYS 57 HD3 LYS 57 2.918 -13.971 -0.028 408 HE2 LYS 57 HE2 LYS 57 3.274 -16.261 0.872 409 HE3 LYS 57 HE3 LYS 57 3.111 -15.606 2.520 410 HZ1 LYS 57 HZ1 LYS 57 0.835 -14.981 2.023 411 HZ2 LYS 57 HZ2 LYS 57 1.058 -16.621 1.817 412 HZ3 LYS 57 HZ3 LYS 57 0.947 -15.619 0.504 413 H LYS 58 H LYS 58 8.804 -11.376 2.036 414 HA LYS 58 HA LYS 58 8.308 -8.707 0.856 415 HB2 LYS 58 HB2 LYS 58 10.557 -9.692 2.634 416 HB3 LYS 58 HB3 LYS 58 10.340 -8.027 2.052 417 HG2 LYS 58 HG2 LYS 58 8.136 -7.911 3.313 418 HG3 LYS 58 HG3 LYS 58 8.442 -9.567 3.889 419 HD2 LYS 58 HD2 LYS 58 9.146 -8.089 5.646 420 HD3 LYS 58 HD3 LYS 58 10.582 -8.783 4.874 421 HE2 LYS 58 HE2 LYS 58 10.869 -6.708 3.567 422 HE3 LYS 58 HE3 LYS 58 9.484 -6.003 4.352 423 HZ1 LYS 58 HZ1 LYS 58 11.360 -5.304 5.579 424 HZ2 LYS 58 HZ2 LYS 58 12.035 -6.819 5.623 425 HZ3 LYS 58 HZ3 LYS 58 10.675 -6.488 6.513 426 H THR 59 H THR 59 10.262 -11.494 0.220 427 HA THR 59 HA THR 59 11.952 -9.901 -1.609 428 HB THR 59 HB THR 59 12.470 -12.692 -0.592 429 HG1 THR 59 HG1 THR 59 12.602 -11.057 1.038 430 HG21 THR 59 HG21 THR 59 13.592 -12.160 -2.772 431 HG22 THR 59 HG22 THR 59 14.748 -12.424 -1.456 432 HG23 THR 59 HG23 THR 59 14.384 -10.765 -1.993 433 H LEU 60 H LEU 60 11.582 -9.961 -3.667 434 HA LEU 60 HA LEU 60 9.975 -12.168 -4.827 435 HB2 LEU 60 HB2 LEU 60 9.162 -9.879 -5.003 436 HB3 LEU 60 HB3 LEU 60 10.641 -9.388 -5.829 437 HG LEU 60 HG LEU 60 8.694 -9.533 -7.271 438 HD11 LEU 60 HD11 LEU 60 11.059 -10.021 -8.080 439 HD12 LEU 60 HD12 LEU 60 9.679 -10.411 -9.160 440 HD13 LEU 60 HD13 LEU 60 10.494 -11.714 -8.218 441 HD21 LEU 60 HD21 LEU 60 8.781 -12.551 -6.881 442 HD22 LEU 60 HD22 LEU 60 7.559 -11.587 -7.769 443 HD23 LEU 60 HD23 LEU 60 7.634 -11.461 -6.008 444 H VAL 61 H VAL 61 10.990 -13.604 -6.316 445 HA VAL 61 HA VAL 61 13.818 -12.847 -7.025 446 HB VAL 61 HB VAL 61 12.699 -15.610 -6.370 447 HG11 VAL 61 HG11 VAL 61 15.526 -14.724 -6.996 448 HG12 VAL 61 HG12 VAL 61 15.035 -16.333 -6.423 449 HG13 VAL 61 HG13 VAL 61 14.446 -15.729 -8.020 450 HG21 VAL 61 HG21 VAL 61 12.863 -14.305 -4.286 451 HG22 VAL 61 HG22 VAL 61 14.233 -15.437 -4.308 452 HG23 VAL 61 HG23 VAL 61 14.476 -13.713 -4.726 453 H VAL 62 H VAL 62 14.443 -12.953 -9.056 454 HA VAL 62 HA VAL 62 12.537 -14.137 -11.086 455 HB VAL 62 HB VAL 62 14.344 -11.695 -11.335 456 HG11 VAL 62 HG11 VAL 62 13.363 -11.374 -13.518 457 HG12 VAL 62 HG12 VAL 62 14.059 -13.001 -13.458 458 HG13 VAL 62 HG13 VAL 62 12.330 -12.769 -13.316 459 HG21 VAL 62 HG21 VAL 62 12.163 -10.442 -11.579 460 HG22 VAL 62 HG22 VAL 62 11.317 -11.916 -11.068 461 HG23 VAL 62 HG23 VAL 62 12.424 -11.095 -9.962 462 H THR 63 H THR 63 13.437 -15.660 -12.453 463 HA THR 63 HA THR 63 16.404 -15.863 -12.438 464 HB THR 63 HB THR 63 14.426 -18.135 -12.823 465 HG1 THR 63 HG1 THR 63 14.281 -17.957 -10.737 466 HG21 THR 63 HG21 THR 63 16.414 -19.532 -12.385 467 HG22 THR 63 HG22 THR 63 17.415 -18.062 -12.448 468 HG23 THR 63 HG23 THR 63 16.514 -18.585 -13.908 469 HA PRO 64 HA PRO 64 15.713 -14.893 -16.748 470 HB2 PRO 64 HB2 PRO 64 18.280 -14.872 -17.636 471 HB3 PRO 64 HB3 PRO 64 17.677 -13.585 -16.564 472 HG2 PRO 64 HG2 PRO 64 19.237 -16.052 -15.789 473 HG3 PRO 64 HG3 PRO 64 19.587 -14.332 -15.395 474 HD2 PRO 64 HD2 PRO 64 18.226 -15.895 -13.614 475 HD3 PRO 64 HD3 PRO 64 17.765 -14.169 -13.888 476 H ALA 65 H ALA 65 15.659 -16.131 -18.693 477 HA ALA 65 HA ALA 65 15.756 -19.012 -18.342 478 HB1 ALA 65 HB1 ALA 65 15.275 -17.408 -20.851 479 HB2 ALA 65 HB2 ALA 65 14.977 -19.135 -20.637 480 HB3 ALA 65 HB3 ALA 65 14.035 -17.953 -19.711 481 H ALA 66 H ALA 66 18.000 -16.715 -19.514 482 HA ALA 66 HA ALA 66 19.859 -18.872 -20.373 483 HB1 ALA 66 HB1 ALA 66 18.754 -17.960 -22.499 484 HB2 ALA 66 HB2 ALA 66 19.282 -16.338 -22.052 485 HB3 ALA 66 HB3 ALA 66 20.460 -17.589 -22.423 486 HA PRO 67 HA PRO 67 22.512 -16.492 -17.823 487 HB2 PRO 67 HB2 PRO 67 24.974 -16.964 -18.870 488 HB3 PRO 67 HB3 PRO 67 24.031 -18.237 -18.081 489 HG2 PRO 67 HG2 PRO 67 24.313 -17.541 -21.007 490 HG3 PRO 67 HG3 PRO 67 24.567 -19.099 -20.213 491 HD2 PRO 67 HD2 PRO 67 22.220 -18.563 -21.410 492 HD3 PRO 67 HD3 PRO 67 22.243 -19.412 -19.823 493 H LEU 68 H LEU 68 23.664 -14.497 -17.702 494 HA LEU 68 HA LEU 68 23.168 -12.713 -19.980 495 HB2 LEU 68 HB2 LEU 68 24.264 -11.980 -17.253 496 HB3 LEU 68 HB3 LEU 68 23.735 -10.873 -18.489 497 HG LEU 68 HG LEU 68 21.975 -12.812 -16.934 498 HD11 LEU 68 HD11 LEU 68 22.137 -9.791 -16.898 499 HD12 LEU 68 HD12 LEU 68 22.852 -10.868 -15.673 500 HD13 LEU 68 HD13 LEU 68 21.087 -10.827 -15.909 501 HD21 LEU 68 HD21 LEU 68 21.216 -10.788 -19.058 502 HD22 LEU 68 HD22 LEU 68 20.067 -11.572 -17.954 503 HD23 LEU 68 HD23 LEU 68 20.996 -12.530 -19.155 504 H ALA 69 H ALA 69 24.727 -11.204 -20.755 505 HA ALA 69 HA ALA 69 27.547 -12.178 -20.710 506 HB1 ALA 69 HB1 ALA 69 27.707 -11.855 -23.135 507 HB2 ALA 69 HB2 ALA 69 26.303 -12.887 -22.830 508 HB3 ALA 69 HB3 ALA 69 26.072 -11.173 -23.181 509 H ALA 70 H ALA 70 28.948 -10.250 -21.680 510 HA ALA 70 HA ALA 70 28.512 -8.042 -19.957 511 HB1 ALA 70 HB1 ALA 70 30.405 -6.996 -21.166 512 HB2 ALA 70 HB2 ALA 70 30.762 -8.689 -20.941 513 HB3 ALA 70 HB3 ALA 70 30.207 -8.131 -22.526 514 H GLY 71 H GLY 71 27.651 -5.976 -20.228 515 HA2 GLY 71 HA2 GLY 71 27.056 -4.399 -22.303 516 HA3 GLY 71 HA3 GLY 71 25.853 -5.692 -22.547 517 H ASN 72 H ASN 72 24.721 -3.360 -22.325 518 HA ASN 72 HA ASN 72 24.183 -2.713 -19.461 519 HB2 ASN 72 HB2 ASN 72 24.603 -0.942 -21.162 520 HB3 ASN 72 HB3 ASN 72 23.128 -1.418 -21.980 521 HD21 ASN 72 HD21 ASN 72 21.605 0.016 -21.562 522 HD22 ASN 72 HD22 ASN 72 21.282 0.752 -20.018 523 H TYR 73 H TYR 73 22.425 -3.385 -18.371 524 HA TYR 73 HA TYR 73 20.187 -4.533 -19.976 525 HB2 TYR 73 HB2 TYR 73 21.247 -5.356 -17.222 526 HB3 TYR 73 HB3 TYR 73 19.752 -5.923 -17.958 527 HD1 TYR 73 HD1 TYR 73 19.687 -7.568 -19.701 528 HD2 TYR 73 HD2 TYR 73 23.430 -6.022 -18.318 529 HE1 TYR 73 HE1 TYR 73 20.867 -9.364 -20.934 530 HE2 TYR 73 HE2 TYR 73 24.616 -7.806 -19.621 531 HH TYR 73 HH TYR 73 22.902 -10.122 -21.683 532 H LYS 74 H LYS 74 18.112 -4.191 -19.348 533 HA LYS 74 HA LYS 74 17.598 -1.998 -17.319 534 HB2 LYS 74 HB2 LYS 74 17.255 -1.213 -19.691 535 HB3 LYS 74 HB3 LYS 74 16.188 -2.589 -19.933 536 HG2 LYS 74 HG2 LYS 74 14.780 -0.727 -19.656 537 HG3 LYS 74 HG3 LYS 74 14.673 -1.707 -18.183 538 HD2 LYS 74 HD2 LYS 74 14.606 0.520 -17.466 539 HD3 LYS 74 HD3 LYS 74 16.228 -0.048 -17.077 540 HE2 LYS 74 HE2 LYS 74 17.126 1.095 -19.067 541 HE3 LYS 74 HE3 LYS 74 15.488 1.614 -19.512 542 HZ1 LYS 74 HZ1 LYS 74 15.345 2.948 -17.716 543 HZ2 LYS 74 HZ2 LYS 74 16.813 3.264 -18.314 544 HZ3 LYS 74 HZ3 LYS 74 16.647 2.359 -16.973 545 H VAL 75 H VAL 75 16.167 -2.492 -15.774 546 HA VAL 75 HA VAL 75 14.548 -4.982 -16.147 547 HB VAL 75 HB VAL 75 15.574 -3.752 -13.510 548 HG11 VAL 75 HG11 VAL 75 14.545 -5.793 -12.450 549 HG12 VAL 75 HG12 VAL 75 13.341 -4.745 -13.225 550 HG13 VAL 75 HG13 VAL 75 13.851 -6.253 -14.054 551 HG21 VAL 75 HG21 VAL 75 17.312 -4.944 -14.817 552 HG22 VAL 75 HG22 VAL 75 16.949 -5.692 -13.288 553 HG23 VAL 75 HG23 VAL 75 16.300 -6.402 -14.777 554 H VAL 76 H VAL 76 12.457 -4.587 -16.235 555 HA VAL 76 HA VAL 76 11.356 -2.006 -15.134 556 HB VAL 76 HB VAL 76 10.447 -3.496 -17.605 557 HG11 VAL 76 HG11 VAL 76 9.332 -1.047 -16.188 558 HG12 VAL 76 HG12 VAL 76 8.908 -1.516 -17.831 559 HG13 VAL 76 HG13 VAL 76 8.551 -2.613 -16.480 560 HG21 VAL 76 HG21 VAL 76 12.498 -2.218 -18.036 561 HG22 VAL 76 HG22 VAL 76 11.107 -1.452 -18.805 562 HG23 VAL 76 HG23 VAL 76 11.752 -0.751 -17.291 563 H TRP 77 H TRP 77 9.773 -2.356 -13.561 564 HA TRP 77 HA TRP 77 8.651 -5.074 -13.549 565 HB2 TRP 77 HB2 TRP 77 9.124 -5.295 -11.108 566 HB3 TRP 77 HB3 TRP 77 10.553 -5.251 -12.075 567 HD1 TRP 77 HD1 TRP 77 12.171 -3.156 -11.795 568 HE1 TRP 77 HE1 TRP 77 12.444 -1.272 -10.110 569 HE3 TRP 77 HE3 TRP 77 7.750 -3.765 -9.428 570 HZ2 TRP 77 HZ2 TRP 77 10.829 -0.076 -8.093 571 HZ3 TRP 77 HZ3 TRP 77 7.165 -2.210 -7.510 572 HH2 TRP 77 HH2 TRP 77 8.649 -0.309 -6.956 573 H ASN 78 H ASN 78 6.743 -5.414 -12.549 574 HA ASN 78 HA ASN 78 5.245 -3.039 -11.520 575 HB2 ASN 78 HB2 ASN 78 4.265 -5.348 -13.252 576 HB3 ASN 78 HB3 ASN 78 3.225 -4.061 -12.596 577 HD21 ASN 78 HD21 ASN 78 4.405 -4.998 -15.375 578 HD22 ASN 78 HD22 ASN 78 4.697 -3.459 -16.162 579 H ALA 79 H ALA 79 4.638 -3.477 -9.360 580 HA ALA 79 HA ALA 79 4.696 -6.405 -8.546 581 HB1 ALA 79 HB1 ALA 79 5.503 -5.524 -6.309 582 HB2 ALA 79 HB2 ALA 79 6.676 -5.326 -7.615 583 HB3 ALA 79 HB3 ALA 79 5.727 -3.947 -7.057 584 H VAL 80 H VAL 80 3.026 -6.983 -7.157 585 HA VAL 80 HA VAL 80 0.962 -4.927 -6.643 586 HB VAL 80 HB VAL 80 0.505 -7.852 -7.423 587 HG11 VAL 80 HG11 VAL 80 -1.176 -7.070 -5.843 588 HG12 VAL 80 HG12 VAL 80 -1.485 -5.659 -6.881 589 HG13 VAL 80 HG13 VAL 80 -1.861 -7.322 -7.439 590 HG21 VAL 80 HG21 VAL 80 1.175 -6.544 -9.363 591 HG22 VAL 80 HG22 VAL 80 -0.567 -6.850 -9.456 592 HG23 VAL 80 HG23 VAL 80 0.005 -5.281 -8.961 593 H SER 81 H SER 81 0.384 -4.774 -4.576 594 HA SER 81 HA SER 81 1.889 -6.278 -2.631 595 HB2 SER 81 HB2 SER 81 0.791 -4.817 -1.052 596 HB3 SER 81 HB3 SER 81 1.413 -3.860 -2.397 597 HG SER 81 HG SER 81 -0.670 -3.297 -1.805 598 H VAL 82 H VAL 82 0.673 -7.166 -0.639 599 HA VAL 82 HA VAL 82 -1.171 -9.196 -1.610 600 HB VAL 82 HB VAL 82 -1.385 -9.911 0.762 601 HG11 VAL 82 HG11 VAL 82 1.518 -9.227 -0.013 602 HG12 VAL 82 HG12 VAL 82 0.995 -10.347 1.247 603 HG13 VAL 82 HG13 VAL 82 0.601 -10.716 -0.427 604 HG21 VAL 82 HG21 VAL 82 0.413 -7.491 1.415 605 HG22 VAL 82 HG22 VAL 82 -1.328 -7.556 1.690 606 HG23 VAL 82 HG23 VAL 82 -0.255 -8.678 2.537 607 H ASP 83 H ASP 83 -1.592 -5.978 -0.691 608 HA ASP 83 HA ASP 83 -4.428 -6.316 -0.140 609 HB2 ASP 83 HB2 ASP 83 -2.773 -4.748 1.147 610 HB3 ASP 83 HB3 ASP 83 -2.941 -3.719 -0.262 611 H THR 84 H THR 84 -3.062 -6.775 -2.767 612 HA THR 84 HA THR 84 -3.288 -6.531 -4.971 613 HB THR 84 HB THR 84 -5.639 -7.203 -4.340 614 HG1 THR 84 HG1 THR 84 -6.227 -7.101 -6.400 615 HG21 THR 84 HG21 THR 84 -6.150 -4.270 -4.818 616 HG22 THR 84 HG22 THR 84 -6.642 -5.300 -3.420 617 HG23 THR 84 HG23 THR 84 -7.401 -5.504 -5.022 618 H HIS 85 H HIS 85 -2.970 -3.642 -3.335 619 HA HIS 85 HA HIS 85 -3.371 -1.764 -5.508 620 HB2 HIS 85 HB2 HIS 85 -1.537 -1.788 -3.088 621 HB3 HIS 85 HB3 HIS 85 -1.715 -0.400 -4.212 622 HD1 HIS 85 HD1 HIS 85 -4.193 0.706 -4.302 623 HD2 HIS 85 HD2 HIS 85 -3.470 -1.934 -1.165 624 HE1 HIS 85 HE1 HIS 85 -6.052 1.089 -2.615 625 H LYS 86 H LYS 86 -1.757 -0.963 -7.004 626 HA LYS 86 HA LYS 86 0.451 -2.880 -7.567 627 HB2 LYS 86 HB2 LYS 86 -1.495 -2.804 -9.116 628 HB3 LYS 86 HB3 LYS 86 -1.090 -1.080 -9.459 629 HG2 LYS 86 HG2 LYS 86 1.140 -1.929 -10.370 630 HG3 LYS 86 HG3 LYS 86 0.502 -3.588 -10.233 631 HD2 LYS 86 HD2 LYS 86 -0.785 -1.361 -11.853 632 HD3 LYS 86 HD3 LYS 86 0.192 -2.697 -12.508 633 HE2 LYS 86 HE2 LYS 86 -1.525 -4.354 -11.572 634 HE3 LYS 86 HE3 LYS 86 -2.482 -2.950 -11.040 635 HZ1 LYS 86 HZ1 LYS 86 -2.747 -2.216 -13.283 636 HZ2 LYS 86 HZ2 LYS 86 -3.245 -3.802 -13.162 637 HZ3 LYS 86 HZ3 LYS 86 -1.793 -3.465 -13.845 638 H SER 87 H SER 87 2.507 -2.114 -8.118 639 HA SER 87 HA SER 87 2.962 0.855 -8.084 640 HB2 SER 87 HB2 SER 87 4.392 -1.242 -6.430 641 HB3 SER 87 HB3 SER 87 4.822 0.501 -6.540 642 HG SER 87 HG SER 87 2.237 0.255 -6.002 643 H ASN 88 H ASN 88 5.114 1.336 -9.160 644 HA ASN 88 HA ASN 88 6.278 -0.970 -10.618 645 HB2 ASN 88 HB2 ASN 88 6.012 -0.011 -12.813 646 HB3 ASN 88 HB3 ASN 88 4.432 -0.219 -12.070 647 HD21 ASN 88 HD21 ASN 88 3.644 1.831 -10.838 648 HD22 ASN 88 HD22 ASN 88 3.938 3.348 -11.681 649 H GLY 89 H GLY 89 8.187 -0.275 -11.986 650 HA2 GLY 89 HA2 GLY 89 9.338 2.285 -11.750 651 HA3 GLY 89 HA3 GLY 89 10.013 1.283 -10.476 652 H GLU 90 H GLU 90 11.921 2.027 -12.142 653 HA GLU 90 HA GLU 90 12.549 -0.463 -13.571 654 HB2 GLU 90 HB2 GLU 90 13.070 0.617 -15.699 655 HB3 GLU 90 HB3 GLU 90 11.388 0.973 -15.316 656 HG2 GLU 90 HG2 GLU 90 12.041 3.256 -14.590 657 HG3 GLU 90 HG3 GLU 90 13.739 2.856 -15.016 658 H TYR 91 H TYR 91 14.873 -0.660 -13.944 659 HA TYR 91 HA TYR 91 16.553 1.591 -13.162 660 HB2 TYR 91 HB2 TYR 91 17.794 0.365 -11.435 661 HB3 TYR 91 HB3 TYR 91 16.120 0.582 -10.949 662 HD1 TYR 91 HD1 TYR 91 14.639 -1.357 -10.742 663 HD2 TYR 91 HD2 TYR 91 18.690 -1.860 -11.963 664 HE1 TYR 91 HE1 TYR 91 14.513 -3.832 -10.149 665 HE2 TYR 91 HE2 TYR 91 18.565 -4.296 -11.372 666 HH TYR 91 HH TYR 91 17.388 -5.915 -10.394 667 H SER 92 H SER 92 18.931 0.972 -13.615 668 HA SER 92 HA SER 92 19.080 -1.376 -15.429 669 HB2 SER 92 HB2 SER 92 20.270 -0.070 -17.140 670 HB3 SER 92 HB3 SER 92 18.681 0.657 -16.847 671 HG SER 92 HG SER 92 20.587 2.083 -16.973 672 H PHE 93 H PHE 93 21.281 -2.046 -15.930 673 HA PHE 93 HA PHE 93 23.393 -1.126 -14.110 674 HB2 PHE 93 HB2 PHE 93 23.671 -3.171 -12.875 675 HB3 PHE 93 HB3 PHE 93 22.030 -2.575 -12.609 676 HD1 PHE 93 HD1 PHE 93 24.099 -5.169 -14.291 677 HD2 PHE 93 HD2 PHE 93 20.087 -3.890 -13.361 678 HE1 PHE 93 HE1 PHE 93 23.182 -7.424 -15.016 679 HE2 PHE 93 HE2 PHE 93 19.190 -6.091 -14.033 680 HZ PHE 93 HZ PHE 93 20.744 -7.844 -14.857 681 H LYS 94 H LYS 94 25.443 -2.602 -14.522 682 HA LYS 94 HA LYS 94 25.246 -3.543 -17.348 683 HB2 LYS 94 HB2 LYS 94 26.256 -1.298 -17.091 684 HB3 LYS 94 HB3 LYS 94 27.534 -2.029 -16.060 685 HG2 LYS 94 HG2 LYS 94 28.340 -3.308 -17.995 686 HG3 LYS 94 HG3 LYS 94 27.069 -2.554 -19.047 687 HD2 LYS 94 HD2 LYS 94 27.887 -0.296 -18.353 688 HD3 LYS 94 HD3 LYS 94 29.219 -1.095 -17.453 689 HE2 LYS 94 HE2 LYS 94 30.098 -2.040 -19.597 690 HE3 LYS 94 HE3 LYS 94 28.800 -1.206 -20.511 691 HZ1 LYS 94 HZ1 LYS 94 30.814 0.115 -20.459 692 HZ2 LYS 94 HZ2 LYS 94 30.845 0.051 -18.793 693 HZ3 LYS 94 HZ3 LYS 94 29.626 0.900 -19.557 694 H VAL 95 H VAL 95 26.124 -5.508 -17.877 695 HA VAL 95 HA VAL 95 27.396 -6.943 -15.605 696 HB VAL 95 HB VAL 95 26.724 -7.898 -18.407 697 HG11 VAL 95 HG11 VAL 95 28.564 -9.225 -17.684 698 HG12 VAL 95 HG12 VAL 95 27.892 -9.407 -16.054 699 HG13 VAL 95 HG13 VAL 95 27.091 -10.190 -17.431 700 HG21 VAL 95 HG21 VAL 95 25.451 -8.529 -15.685 701 HG22 VAL 95 HG22 VAL 95 24.749 -7.358 -16.891 702 HG23 VAL 95 HG23 VAL 95 24.874 -9.092 -17.316 703 H GLY 96 H GLY 96 29.533 -7.150 -15.323 704 HA2 GLY 96 HA2 GLY 96 31.390 -6.705 -17.644 705 HA3 GLY 96 HA3 GLY 96 31.557 -5.728 -16.155 706 H GLN 97 H GLN 97 30.863 -9.244 -16.732 707 HA GLN 97 HA GLN 97 32.418 -10.040 -14.493 708 HB2 GLN 97 HB2 GLN 97 30.509 -11.333 -15.599 709 HB3 GLN 97 HB3 GLN 97 31.640 -11.751 -16.892 710 HG2 GLN 97 HG2 GLN 97 33.069 -12.929 -15.200 711 HG3 GLN 97 HG3 GLN 97 31.942 -12.413 -13.934 712 HE21 GLN 97 HE21 GLN 97 32.837 -14.985 -15.410 713 HE22 GLN 97 HE22 GLN 97 31.378 -15.907 -15.592 Start of MODEL 20 1 H1 HIS 1 H1 HIS 1 3.609 1.735 1.369 2 H2 HIS 1 H2 HIS 1 2.036 1.402 1.794 3 H3 HIS 1 H3 HIS 1 3.223 0.262 2.074 4 HA HIS 1 HA HIS 1 1.941 -0.388 0.169 5 HB2 HIS 1 HB2 HIS 1 2.835 2.281 -0.987 6 HB3 HIS 1 HB3 HIS 1 1.948 1.042 -1.869 7 HD1 HIS 1 HD1 HIS 1 1.490 3.633 0.885 8 HD2 HIS 1 HD2 HIS 1 -0.723 1.022 -1.452 9 HE1 HIS 1 HE1 HIS 1 -0.929 4.224 1.228 10 H ALA 2 H ALA 2 2.962 -1.278 -1.836 11 HA ALA 2 HA ALA 2 5.592 -2.170 -1.074 12 HB1 ALA 2 HB1 ALA 2 3.929 -3.628 -2.284 13 HB2 ALA 2 HB2 ALA 2 4.128 -2.637 -3.744 14 HB3 ALA 2 HB3 ALA 2 5.504 -3.562 -3.078 15 H HIS 3 H HIS 3 7.359 -0.931 -1.256 16 HA HIS 3 HA HIS 3 7.981 0.369 -3.873 17 HB2 HIS 3 HB2 HIS 3 8.448 1.513 -1.073 18 HB3 HIS 3 HB3 HIS 3 9.084 2.213 -2.609 19 HD1 HIS 3 HD1 HIS 3 7.088 2.976 -4.398 20 HD2 HIS 3 HD2 HIS 3 5.969 2.447 -0.374 21 HE1 HIS 3 HE1 HIS 3 4.804 4.095 -4.046 22 H LEU 4 H LEU 4 10.351 0.294 -4.229 23 HA LEU 4 HA LEU 4 11.550 -2.153 -3.279 24 HB2 LEU 4 HB2 LEU 4 12.066 -1.126 -5.532 25 HB3 LEU 4 HB3 LEU 4 12.841 0.177 -4.695 26 HG LEU 4 HG LEU 4 14.521 -1.525 -3.829 27 HD11 LEU 4 HD11 LEU 4 13.099 -3.408 -5.765 28 HD12 LEU 4 HD12 LEU 4 13.081 -3.555 -3.993 29 HD13 LEU 4 HD13 LEU 4 14.618 -3.734 -4.909 30 HD21 LEU 4 HD21 LEU 4 14.090 -1.343 -6.874 31 HD22 LEU 4 HD22 LEU 4 15.660 -1.810 -6.062 32 HD23 LEU 4 HD23 LEU 4 14.955 -0.184 -5.867 33 H LYS 5 H LYS 5 12.830 -2.512 -1.449 34 HA LYS 5 HA LYS 5 13.676 -0.024 0.008 35 HB2 LYS 5 HB2 LYS 5 11.950 -1.542 1.000 36 HB3 LYS 5 HB3 LYS 5 13.128 -2.823 1.136 37 HG2 LYS 5 HG2 LYS 5 14.490 -1.258 2.544 38 HG3 LYS 5 HG3 LYS 5 13.137 -0.092 2.422 39 HD2 LYS 5 HD2 LYS 5 11.689 -1.816 3.386 40 HD3 LYS 5 HD3 LYS 5 13.069 -2.881 3.591 41 HE2 LYS 5 HE2 LYS 5 12.624 -1.780 5.716 42 HE3 LYS 5 HE3 LYS 5 14.140 -1.147 5.051 43 HZ1 LYS 5 HZ1 LYS 5 13.008 0.843 4.367 44 HZ2 LYS 5 HZ2 LYS 5 12.510 0.557 5.891 45 HZ3 LYS 5 HZ3 LYS 5 11.513 0.206 4.606 46 H SER 6 H SER 6 14.741 -3.187 -1.247 47 HA SER 6 HA SER 6 17.566 -2.483 -0.837 48 HB2 SER 6 HB2 SER 6 17.053 -3.417 1.361 49 HB3 SER 6 HB3 SER 6 16.374 -4.882 0.598 50 HG SER 6 HG SER 6 19.020 -4.003 0.191 51 H ALA 7 H ALA 7 18.903 -4.047 -2.086 52 HA ALA 7 HA ALA 7 17.444 -5.798 -3.911 53 HB1 ALA 7 HB1 ALA 7 17.101 -3.436 -4.805 54 HB2 ALA 7 HB2 ALA 7 18.885 -3.306 -5.036 55 HB3 ALA 7 HB3 ALA 7 17.926 -4.532 -5.902 56 H THR 8 H THR 8 18.643 -6.706 -5.610 57 HA THR 8 HA THR 8 21.370 -7.703 -4.814 58 HB THR 8 HB THR 8 19.363 -8.274 -7.166 59 HG1 THR 8 HG1 THR 8 18.665 -8.889 -5.048 60 HG21 THR 8 HG21 THR 8 21.831 -9.809 -6.292 61 HG22 THR 8 HG22 THR 8 21.524 -9.116 -7.905 62 HG23 THR 8 HG23 THR 8 20.564 -10.506 -7.351 63 HA PRO 9 HA PRO 9 23.819 -4.775 -6.997 64 HB2 PRO 9 HB2 PRO 9 23.463 -5.813 -9.729 65 HB3 PRO 9 HB3 PRO 9 24.904 -5.438 -8.752 66 HG2 PRO 9 HG2 PRO 9 23.247 -7.967 -8.844 67 HG3 PRO 9 HG3 PRO 9 24.950 -7.831 -8.382 68 HD2 PRO 9 HD2 PRO 9 23.096 -8.250 -6.505 69 HD3 PRO 9 HD3 PRO 9 24.317 -6.977 -6.173 70 H ALA 10 H ALA 10 23.194 -2.986 -6.666 71 HA ALA 10 HA ALA 10 20.803 -1.725 -7.475 72 HB1 ALA 10 HB1 ALA 10 21.790 0.228 -6.500 73 HB2 ALA 10 HB2 ALA 10 22.150 -1.163 -5.433 74 HB3 ALA 10 HB3 ALA 10 23.458 -0.478 -6.524 75 H ALA 11 H ALA 11 20.751 0.417 -8.607 76 HA ALA 11 HA ALA 11 21.443 0.023 -11.241 77 HB1 ALA 11 HB1 ALA 11 19.655 1.538 -10.322 78 HB2 ALA 11 HB2 ALA 11 20.974 2.667 -9.899 79 HB3 ALA 11 HB3 ALA 11 20.634 2.276 -11.609 80 H ASP 12 H ASP 12 22.803 0.861 -12.688 81 HA ASP 12 HA ASP 12 24.756 1.570 -13.623 82 HB2 ASP 12 HB2 ASP 12 25.109 3.224 -11.094 83 HB3 ASP 12 HB3 ASP 12 26.019 3.420 -12.617 84 H SER 13 H SER 13 24.690 -0.612 -11.353 85 HA SER 13 HA SER 13 27.496 -0.720 -10.526 86 HB2 SER 13 HB2 SER 13 25.318 -2.777 -10.343 87 HB3 SER 13 HB3 SER 13 26.911 -2.896 -9.579 88 HG SER 13 HG SER 13 24.701 -1.403 -8.846 89 H THR 14 H THR 14 29.108 -2.321 -11.146 90 HA THR 14 HA THR 14 28.393 -3.735 -13.660 91 HB THR 14 HB THR 14 31.183 -2.966 -12.794 92 HG1 THR 14 HG1 THR 14 31.013 -1.448 -14.498 93 HG21 THR 14 HG21 THR 14 31.699 -3.574 -15.151 94 HG22 THR 14 HG22 THR 14 30.051 -4.185 -15.330 95 HG23 THR 14 HG23 THR 14 31.173 -4.961 -14.201 96 H VAL 15 H VAL 15 27.966 -5.904 -13.118 97 HA VAL 15 HA VAL 15 29.734 -7.160 -11.053 98 HB VAL 15 HB VAL 15 27.720 -8.303 -10.076 99 HG11 VAL 15 HG11 VAL 15 28.604 -6.112 -9.220 100 HG12 VAL 15 HG12 VAL 15 27.283 -5.299 -10.136 101 HG13 VAL 15 HG13 VAL 15 26.883 -6.463 -8.802 102 HG21 VAL 15 HG21 VAL 15 26.247 -8.181 -12.172 103 HG22 VAL 15 HG22 VAL 15 25.419 -7.654 -10.698 104 HG23 VAL 15 HG23 VAL 15 26.017 -6.457 -11.856 105 H ALA 16 H ALA 16 29.604 -9.575 -11.004 106 HA ALA 16 HA ALA 16 29.751 -10.770 -13.694 107 HB1 ALA 16 HB1 ALA 16 29.493 -12.049 -10.910 108 HB2 ALA 16 HB2 ALA 16 29.983 -12.846 -12.432 109 HB3 ALA 16 HB3 ALA 16 31.033 -11.600 -11.672 110 H ALA 17 H ALA 17 28.075 -12.307 -14.496 111 HA ALA 17 HA ALA 17 25.480 -11.284 -14.073 112 HB1 ALA 17 HB1 ALA 17 26.040 -12.439 -16.157 113 HB2 ALA 17 HB2 ALA 17 26.305 -13.946 -15.249 114 HB3 ALA 17 HB3 ALA 17 24.669 -13.264 -15.369 115 HA PRO 18 HA PRO 18 24.617 -13.416 -10.274 116 HB2 PRO 18 HB2 PRO 18 22.099 -12.611 -9.801 117 HB3 PRO 18 HB3 PRO 18 23.459 -11.495 -9.665 118 HG2 PRO 18 HG2 PRO 18 21.590 -11.992 -11.925 119 HG3 PRO 18 HG3 PRO 18 22.001 -10.433 -11.173 120 HD2 PRO 18 HD2 PRO 18 23.178 -11.285 -13.463 121 HD3 PRO 18 HD3 PRO 18 24.081 -10.367 -12.232 122 H ALA 19 H ALA 19 23.486 -15.355 -9.475 123 HA ALA 19 HA ALA 19 22.649 -17.075 -11.690 124 HB1 ALA 19 HB1 ALA 19 22.363 -17.347 -8.645 125 HB2 ALA 19 HB2 ALA 19 21.830 -18.587 -9.772 126 HB3 ALA 19 HB3 ALA 19 23.564 -18.158 -9.696 127 H ASP 20 H ASP 20 20.967 -15.180 -9.197 128 HA ASP 20 HA ASP 20 18.571 -14.998 -10.856 129 HB2 ASP 20 HB2 ASP 20 17.048 -15.769 -9.102 130 HB3 ASP 20 HB3 ASP 20 18.182 -17.050 -9.519 131 H LEU 21 H LEU 21 17.172 -13.104 -9.867 132 HA LEU 21 HA LEU 21 18.978 -11.330 -8.249 133 HB2 LEU 21 HB2 LEU 21 16.761 -10.492 -10.156 134 HB3 LEU 21 HB3 LEU 21 17.721 -9.435 -9.137 135 HG LEU 21 HG LEU 21 19.732 -9.938 -10.516 136 HD11 LEU 21 HD11 LEU 21 17.709 -11.272 -12.333 137 HD12 LEU 21 HD12 LEU 21 19.140 -12.042 -11.604 138 HD13 LEU 21 HD13 LEU 21 19.337 -10.798 -12.810 139 HD21 LEU 21 HD21 LEU 21 18.397 -7.896 -10.796 140 HD22 LEU 21 HD22 LEU 21 17.340 -8.767 -11.971 141 HD23 LEU 21 HD23 LEU 21 19.059 -8.461 -12.347 142 H ARG 22 H ARG 22 18.225 -10.716 -6.282 143 HA ARG 22 HA ARG 22 15.398 -11.388 -5.546 144 HB2 ARG 22 HB2 ARG 22 17.926 -11.139 -3.918 145 HB3 ARG 22 HB3 ARG 22 16.304 -11.405 -3.219 146 HG2 ARG 22 HG2 ARG 22 16.123 -13.543 -4.397 147 HG3 ARG 22 HG3 ARG 22 17.718 -13.312 -5.173 148 HD2 ARG 22 HD2 ARG 22 18.824 -13.323 -2.970 149 HD3 ARG 22 HD3 ARG 22 17.239 -13.504 -2.165 150 HE ARG 22 HE ARG 22 18.759 -15.578 -3.557 151 HH11 ARG 22 HH11 ARG 22 15.662 -14.650 -2.192 152 HH12 ARG 22 HH12 ARG 22 15.185 -16.329 -1.869 153 HH21 ARG 22 HH21 ARG 22 18.013 -17.661 -3.303 154 HH22 ARG 22 HH22 ARG 22 16.414 -17.986 -2.602 155 H LEU 23 H LEU 23 14.137 -9.652 -5.686 156 HA LEU 23 HA LEU 23 15.276 -6.990 -4.915 157 HB2 LEU 23 HB2 LEU 23 12.621 -7.739 -6.233 158 HB3 LEU 23 HB3 LEU 23 13.120 -6.106 -5.830 159 HG LEU 23 HG LEU 23 14.914 -6.173 -7.470 160 HD11 LEU 23 HD11 LEU 23 14.836 -7.844 -9.342 161 HD12 LEU 23 HD12 LEU 23 13.744 -8.864 -8.322 162 HD13 LEU 23 HD13 LEU 23 15.450 -8.483 -7.829 163 HD21 LEU 23 HD21 LEU 23 13.431 -5.973 -9.412 164 HD22 LEU 23 HD22 LEU 23 12.663 -5.206 -7.994 165 HD23 LEU 23 HD23 LEU 23 12.155 -6.822 -8.607 166 H THR 24 H THR 24 14.501 -6.005 -3.009 167 HA THR 24 HA THR 24 12.548 -7.604 -1.430 168 HB THR 24 HB THR 24 14.814 -5.896 -0.366 169 HG1 THR 24 HG1 THR 24 14.859 -8.618 0.057 170 HG21 THR 24 HG21 THR 24 12.892 -6.118 1.176 171 HG22 THR 24 HG22 THR 24 14.347 -6.977 1.761 172 HG23 THR 24 HG23 THR 24 12.991 -7.893 1.051 173 H PHE 25 H PHE 25 10.678 -6.570 -0.932 174 HA PHE 25 HA PHE 25 10.595 -3.602 -1.364 175 HB2 PHE 25 HB2 PHE 25 8.366 -5.670 -1.610 176 HB3 PHE 25 HB3 PHE 25 8.214 -3.953 -1.908 177 HD1 PHE 25 HD1 PHE 25 9.162 -2.892 -3.879 178 HD2 PHE 25 HD2 PHE 25 9.502 -7.135 -3.267 179 HE1 PHE 25 HE1 PHE 25 9.849 -3.131 -6.244 180 HE2 PHE 25 HE2 PHE 25 10.206 -7.425 -5.629 181 HZ PHE 25 HZ PHE 25 10.318 -5.400 -7.155 182 H SER 26 H SER 26 9.076 -2.348 -0.055 183 HA SER 26 HA SER 26 9.533 -2.909 2.752 184 HB2 SER 26 HB2 SER 26 8.318 -0.819 3.087 185 HB3 SER 26 HB3 SER 26 9.481 -0.600 1.795 186 HG SER 26 HG SER 26 7.369 0.213 1.293 187 H GLU 27 H GLU 27 7.064 -3.914 0.590 188 HA GLU 27 HA GLU 27 5.335 -4.784 2.845 189 HB2 GLU 27 HB2 GLU 27 4.408 -2.739 1.793 190 HB3 GLU 27 HB3 GLU 27 4.376 -3.575 0.218 191 HG2 GLU 27 HG2 GLU 27 2.187 -3.714 1.087 192 HG3 GLU 27 HG3 GLU 27 2.885 -5.308 1.348 193 H GLY 28 H GLY 28 4.349 -6.928 2.366 194 HA2 GLY 28 HA2 GLY 28 5.990 -8.469 0.632 195 HA3 GLY 28 HA3 GLY 28 4.517 -9.052 1.416 196 H VAL 29 H VAL 29 5.407 -9.550 -1.427 197 HA VAL 29 HA VAL 29 3.115 -8.181 -2.770 198 HB VAL 29 HB VAL 29 4.431 -8.313 -4.909 199 HG11 VAL 29 HG11 VAL 29 5.862 -6.815 -2.647 200 HG12 VAL 29 HG12 VAL 29 6.113 -6.527 -4.379 201 HG13 VAL 29 HG13 VAL 29 4.521 -6.234 -3.620 202 HG21 VAL 29 HG21 VAL 29 6.822 -8.895 -4.869 203 HG22 VAL 29 HG22 VAL 29 6.831 -9.175 -3.127 204 HG23 VAL 29 HG23 VAL 29 5.894 -10.276 -4.202 205 H GLU 30 H GLU 30 2.118 -9.425 -4.578 206 HA GLU 30 HA GLU 30 2.121 -12.305 -3.892 207 HB2 GLU 30 HB2 GLU 30 0.310 -10.628 -5.646 208 HB3 GLU 30 HB3 GLU 30 0.093 -12.374 -5.421 209 HG2 GLU 30 HG2 GLU 30 0.116 -10.495 -3.046 210 HG3 GLU 30 HG3 GLU 30 -1.382 -10.740 -4.029 211 H ALA 31 H ALA 31 3.188 -13.764 -5.170 212 HA ALA 31 HA ALA 31 4.835 -12.836 -7.315 213 HB1 ALA 31 HB1 ALA 31 5.342 -14.831 -5.884 214 HB2 ALA 31 HB2 ALA 31 4.052 -15.702 -6.637 215 HB3 ALA 31 HB3 ALA 31 5.456 -15.182 -7.595 216 H THR 32 H THR 32 1.593 -14.157 -7.241 217 HA THR 32 HA THR 32 1.351 -15.076 -9.925 218 HB THR 32 HB THR 32 -0.814 -14.068 -8.007 219 HG1 THR 32 HG1 THR 32 -0.877 -16.340 -7.518 220 HG21 THR 32 HG21 THR 32 -1.841 -14.500 -10.127 221 HG22 THR 32 HG22 THR 32 -2.115 -15.947 -9.127 222 HG23 THR 32 HG23 THR 32 -0.884 -15.955 -10.378 223 H PHE 33 H PHE 33 0.859 -11.836 -8.495 224 HA PHE 33 HA PHE 33 -0.133 -10.922 -11.135 225 HB2 PHE 33 HB2 PHE 33 -0.411 -9.596 -8.453 226 HB3 PHE 33 HB3 PHE 33 -1.160 -9.033 -9.951 227 HD1 PHE 33 HD1 PHE 33 -2.873 -10.608 -11.043 228 HD2 PHE 33 HD2 PHE 33 -1.456 -11.064 -7.002 229 HE1 PHE 33 HE1 PHE 33 -4.876 -12.040 -10.490 230 HE2 PHE 33 HE2 PHE 33 -3.435 -12.474 -6.449 231 HZ PHE 33 HZ PHE 33 -5.155 -12.934 -8.180 232 H THR 34 H THR 34 2.705 -10.938 -9.419 233 HA THR 34 HA THR 34 3.620 -8.268 -10.225 234 HB THR 34 HB THR 34 5.141 -10.770 -9.309 235 HG1 THR 34 HG1 THR 34 3.937 -10.090 -7.580 236 HG21 THR 34 HG21 THR 34 6.930 -9.192 -8.668 237 HG22 THR 34 HG22 THR 34 5.993 -7.833 -9.376 238 HG23 THR 34 HG23 THR 34 6.654 -9.123 -10.428 239 H LYS 35 H LYS 35 4.669 -7.778 -12.213 240 HA LYS 35 HA LYS 35 5.289 -10.100 -14.011 241 HB2 LYS 35 HB2 LYS 35 3.901 -7.543 -14.860 242 HB3 LYS 35 HB3 LYS 35 4.621 -8.768 -15.932 243 HG2 LYS 35 HG2 LYS 35 3.128 -10.457 -15.089 244 HG3 LYS 35 HG3 LYS 35 2.290 -9.257 -14.046 245 HD2 LYS 35 HD2 LYS 35 1.752 -8.001 -16.119 246 HD3 LYS 35 HD3 LYS 35 2.529 -9.266 -17.092 247 HE2 LYS 35 HE2 LYS 35 0.927 -10.925 -16.132 248 HE3 LYS 35 HE3 LYS 35 0.125 -9.595 -15.238 249 HZ1 LYS 35 HZ1 LYS 35 -0.421 -8.525 -17.253 250 HZ2 LYS 35 HZ2 LYS 35 -0.974 -10.071 -17.327 251 HZ3 LYS 35 HZ3 LYS 35 0.374 -9.658 -18.158 252 H VAL 36 H VAL 36 7.212 -9.886 -15.119 253 HA VAL 36 HA VAL 36 8.759 -7.373 -14.545 254 HB VAL 36 HB VAL 36 9.815 -10.264 -14.472 255 HG11 VAL 36 HG11 VAL 36 11.247 -7.602 -14.127 256 HG12 VAL 36 HG12 VAL 36 11.906 -9.170 -13.534 257 HG13 VAL 36 HG13 VAL 36 11.569 -8.915 -15.303 258 HG21 VAL 36 HG21 VAL 36 8.421 -9.652 -12.436 259 HG22 VAL 36 HG22 VAL 36 10.138 -9.892 -12.061 260 HG23 VAL 36 HG23 VAL 36 9.488 -8.246 -12.167 261 H SER 37 H SER 37 10.005 -6.592 -16.204 262 HA SER 37 HA SER 37 10.110 -8.221 -18.662 263 HB2 SER 37 HB2 SER 37 9.755 -5.195 -18.382 264 HB3 SER 37 HB3 SER 37 10.112 -6.067 -19.902 265 HG SER 37 HG SER 37 8.215 -7.004 -19.893 266 H LEU 38 H LEU 38 12.131 -8.176 -19.661 267 HA LEU 38 HA LEU 38 14.328 -6.697 -18.292 268 HB2 LEU 38 HB2 LEU 38 14.208 -9.072 -17.410 269 HB3 LEU 38 HB3 LEU 38 14.280 -9.669 -19.084 270 HG LEU 38 HG LEU 38 16.596 -8.819 -19.332 271 HD11 LEU 38 HD11 LEU 38 16.453 -8.271 -16.345 272 HD12 LEU 38 HD12 LEU 38 16.497 -7.026 -17.636 273 HD13 LEU 38 HD13 LEU 38 17.876 -8.137 -17.419 274 HD21 LEU 38 HD21 LEU 38 16.084 -11.135 -18.542 275 HD22 LEU 38 HD22 LEU 38 16.169 -10.589 -16.880 276 HD23 LEU 38 HD23 LEU 38 17.615 -10.516 -17.906 277 H SER 39 H SER 39 15.851 -5.900 -19.768 278 HA SER 39 HA SER 39 15.678 -6.991 -22.517 279 HB2 SER 39 HB2 SER 39 15.532 -4.794 -23.560 280 HB3 SER 39 HB3 SER 39 14.137 -5.045 -22.488 281 HG SER 39 HG SER 39 15.235 -2.957 -22.288 282 H LYS 40 H LYS 40 17.422 -6.645 -23.833 283 HA LYS 40 HA LYS 40 20.017 -5.770 -22.524 284 HB2 LYS 40 HB2 LYS 40 19.735 -8.266 -22.758 285 HB3 LYS 40 HB3 LYS 40 19.425 -8.043 -24.510 286 HG2 LYS 40 HG2 LYS 40 21.602 -7.170 -24.846 287 HG3 LYS 40 HG3 LYS 40 22.049 -7.395 -23.162 288 HD2 LYS 40 HD2 LYS 40 21.596 -9.845 -23.425 289 HD3 LYS 40 HD3 LYS 40 21.114 -9.554 -25.109 290 HE2 LYS 40 HE2 LYS 40 23.902 -8.989 -24.008 291 HE3 LYS 40 HE3 LYS 40 23.393 -10.403 -24.955 292 HZ1 LYS 40 HZ1 LYS 40 22.795 -8.945 -26.784 293 HZ2 LYS 40 HZ2 LYS 40 24.415 -8.786 -26.395 294 HZ3 LYS 40 HZ3 LYS 40 23.316 -7.626 -25.945 295 H ASP 41 H ASP 41 20.630 -3.971 -23.618 296 HA ASP 41 HA ASP 41 21.075 -2.513 -25.300 297 HB2 ASP 41 HB2 ASP 41 22.316 -4.562 -26.128 298 HB3 ASP 41 HB3 ASP 41 21.030 -4.739 -27.333 299 H GLY 42 H GLY 42 18.302 -3.012 -24.634 300 HA2 GLY 42 HA2 GLY 42 16.270 -2.171 -25.363 301 HA3 GLY 42 HA3 GLY 42 17.039 -1.772 -26.938 302 H THR 43 H THR 43 17.309 -5.092 -25.885 303 HA THR 43 HA THR 43 15.041 -5.848 -27.688 304 HB THR 43 HB THR 43 17.647 -7.359 -27.248 305 HG1 THR 43 HG1 THR 43 17.890 -5.427 -28.471 306 HG21 THR 43 HG21 THR 43 15.469 -7.756 -29.291 307 HG22 THR 43 HG22 THR 43 15.699 -8.752 -27.846 308 HG23 THR 43 HG23 THR 43 16.987 -8.714 -29.077 309 H GLU 44 H GLU 44 13.480 -7.052 -26.608 310 HA GLU 44 HA GLU 44 13.733 -7.560 -23.818 311 HB2 GLU 44 HB2 GLU 44 11.566 -7.227 -25.051 312 HB3 GLU 44 HB3 GLU 44 11.798 -8.865 -25.721 313 HG2 GLU 44 HG2 GLU 44 11.694 -9.812 -23.484 314 HG3 GLU 44 HG3 GLU 44 11.459 -8.225 -22.778 315 H VAL 45 H VAL 45 14.146 -9.362 -22.539 316 HA VAL 45 HA VAL 45 15.365 -11.685 -23.983 317 HB VAL 45 HB VAL 45 16.166 -10.428 -21.308 318 HG11 VAL 45 HG11 VAL 45 17.472 -12.782 -22.771 319 HG12 VAL 45 HG12 VAL 45 18.086 -12.024 -21.272 320 HG13 VAL 45 HG13 VAL 45 16.513 -12.856 -21.213 321 HG21 VAL 45 HG21 VAL 45 16.981 -9.112 -23.225 322 HG22 VAL 45 HG22 VAL 45 18.314 -9.874 -22.371 323 HG23 VAL 45 HG23 VAL 45 17.769 -10.596 -23.895 324 H ALA 46 H ALA 46 14.733 -13.709 -23.320 325 HA ALA 46 HA ALA 46 12.261 -14.038 -21.926 326 HB1 ALA 46 HB1 ALA 46 13.129 -15.589 -23.688 327 HB2 ALA 46 HB2 ALA 46 14.372 -16.161 -22.529 328 HB3 ALA 46 HB3 ALA 46 12.640 -16.437 -22.183 329 H ILE 47 H ILE 47 11.733 -14.976 -19.962 330 HA ILE 47 HA ILE 47 13.862 -14.862 -17.828 331 HB ILE 47 HB ILE 47 10.906 -13.935 -17.654 332 HG12 ILE 47 HG12 ILE 47 13.449 -12.309 -17.461 333 HG13 ILE 47 HG13 ILE 47 12.465 -12.409 -18.926 334 HG21 ILE 47 HG21 ILE 47 11.413 -13.235 -15.412 335 HG22 ILE 47 HG22 ILE 47 11.733 -14.965 -15.550 336 HG23 ILE 47 HG23 ILE 47 13.074 -13.809 -15.529 337 HD11 ILE 47 HD11 ILE 47 11.720 -11.112 -16.301 338 HD12 ILE 47 HD12 ILE 47 11.806 -10.393 -17.917 339 HD13 ILE 47 HD13 ILE 47 10.493 -11.517 -17.524 340 H LYS 48 H LYS 48 13.861 -16.752 -16.525 341 HA LYS 48 HA LYS 48 12.400 -19.066 -17.368 342 HB2 LYS 48 HB2 LYS 48 14.620 -19.054 -16.146 343 HB3 LYS 48 HB3 LYS 48 13.764 -18.554 -14.702 344 HG2 LYS 48 HG2 LYS 48 14.126 -20.865 -14.407 345 HG3 LYS 48 HG3 LYS 48 12.437 -20.682 -14.785 346 HD2 LYS 48 HD2 LYS 48 13.231 -22.604 -15.939 347 HD3 LYS 48 HD3 LYS 48 13.034 -21.328 -17.171 348 HE2 LYS 48 HE2 LYS 48 15.451 -20.845 -17.030 349 HE3 LYS 48 HE3 LYS 48 15.639 -22.111 -15.787 350 HZ1 LYS 48 HZ1 LYS 48 16.187 -22.823 -18.081 351 HZ2 LYS 48 HZ2 LYS 48 14.634 -22.585 -18.550 352 HZ3 LYS 48 HZ3 LYS 48 15.005 -23.735 -17.409 353 H GLY 49 H GLY 49 11.794 -16.610 -14.882 354 HA2 GLY 49 HA2 GLY 49 9.149 -16.600 -14.669 355 HA3 GLY 49 HA3 GLY 49 9.469 -18.123 -13.822 356 H LEU 50 H LEU 50 8.398 -16.774 -12.050 357 HA LEU 50 HA LEU 50 10.470 -15.502 -10.458 358 HB2 LEU 50 HB2 LEU 50 9.335 -13.458 -9.988 359 HB3 LEU 50 HB3 LEU 50 9.450 -13.587 -11.754 360 HG LEU 50 HG LEU 50 6.943 -14.032 -10.085 361 HD11 LEU 50 HD11 LEU 50 6.283 -11.910 -10.865 362 HD12 LEU 50 HD12 LEU 50 7.732 -11.746 -11.839 363 HD13 LEU 50 HD13 LEU 50 7.827 -11.725 -10.085 364 HD21 LEU 50 HD21 LEU 50 6.813 -15.271 -12.202 365 HD22 LEU 50 HD22 LEU 50 7.290 -13.823 -13.098 366 HD23 LEU 50 HD23 LEU 50 5.732 -13.840 -12.231 367 H GLU 51 H GLU 51 9.946 -15.380 -8.147 368 HA GLU 51 HA GLU 51 7.443 -16.613 -7.224 369 HB2 GLU 51 HB2 GLU 51 8.561 -18.595 -6.245 370 HB3 GLU 51 HB3 GLU 51 8.824 -18.515 -7.984 371 HG2 GLU 51 HG2 GLU 51 11.094 -17.591 -7.604 372 HG3 GLU 51 HG3 GLU 51 10.870 -17.779 -5.892 373 H THR 52 H THR 52 7.517 -16.700 -4.701 374 HA THR 52 HA THR 52 9.532 -14.806 -3.551 375 HB THR 52 HB THR 52 7.763 -14.139 -1.895 376 HG1 THR 52 HG1 THR 52 6.419 -16.055 -2.296 377 HG21 THR 52 HG21 THR 52 8.119 -12.740 -3.923 378 HG22 THR 52 HG22 THR 52 6.422 -12.685 -3.341 379 HG23 THR 52 HG23 THR 52 6.827 -13.694 -4.743 380 HA PRO 53 HA PRO 53 9.681 -18.902 -1.495 381 HB2 PRO 53 HB2 PRO 53 12.259 -19.017 -0.755 382 HB3 PRO 53 HB3 PRO 53 11.792 -19.219 -2.451 383 HG2 PRO 53 HG2 PRO 53 12.760 -16.735 -1.078 384 HG3 PRO 53 HG3 PRO 53 13.370 -17.474 -2.621 385 HD2 PRO 53 HD2 PRO 53 11.598 -15.440 -2.639 386 HD3 PRO 53 HD3 PRO 53 11.487 -16.767 -3.835 387 H ASP 54 H ASP 54 10.615 -15.781 -0.143 388 HA ASP 54 HA ASP 54 10.918 -16.749 2.575 389 HB2 ASP 54 HB2 ASP 54 10.655 -13.987 1.392 390 HB3 ASP 54 HB3 ASP 54 10.785 -14.279 3.131 391 H ALA 55 H ALA 55 9.657 -16.420 4.312 392 HA ALA 55 HA ALA 55 6.868 -16.969 3.882 393 HB1 ALA 55 HB1 ALA 55 8.370 -16.059 6.397 394 HB2 ALA 55 HB2 ALA 55 6.781 -16.842 6.348 395 HB3 ALA 55 HB3 ALA 55 8.234 -17.751 5.846 396 H ASP 56 H ASP 56 8.610 -13.858 4.562 397 HA ASP 56 HA ASP 56 6.077 -12.581 5.158 398 HB2 ASP 56 HB2 ASP 56 8.407 -12.049 6.185 399 HB3 ASP 56 HB3 ASP 56 8.653 -11.092 4.710 400 H LYS 57 H LYS 57 7.312 -13.541 2.388 401 HA LYS 57 HA LYS 57 7.022 -13.047 0.150 402 HB2 LYS 57 HB2 LYS 57 4.696 -11.390 1.156 403 HB3 LYS 57 HB3 LYS 57 4.953 -11.908 -0.490 404 HG2 LYS 57 HG2 LYS 57 4.775 -14.279 0.210 405 HG3 LYS 57 HG3 LYS 57 4.380 -13.734 1.858 406 HD2 LYS 57 HD2 LYS 57 2.540 -12.437 1.028 407 HD3 LYS 57 HD3 LYS 57 2.816 -13.006 -0.629 408 HE2 LYS 57 HE2 LYS 57 2.471 -15.351 0.153 409 HE3 LYS 57 HE3 LYS 57 2.029 -14.698 1.767 410 HZ1 LYS 57 HZ1 LYS 57 0.652 -13.850 -0.707 411 HZ2 LYS 57 HZ2 LYS 57 0.151 -13.618 0.841 412 HZ3 LYS 57 HZ3 LYS 57 0.134 -15.141 0.166 413 H LYS 58 H LYS 58 8.305 -10.750 1.991 414 HA LYS 58 HA LYS 58 8.114 -8.492 0.212 415 HB2 LYS 58 HB2 LYS 58 10.033 -9.066 2.484 416 HB3 LYS 58 HB3 LYS 58 9.977 -7.556 1.564 417 HG2 LYS 58 HG2 LYS 58 7.616 -7.205 2.299 418 HG3 LYS 58 HG3 LYS 58 7.737 -8.690 3.293 419 HD2 LYS 58 HD2 LYS 58 9.658 -7.588 4.568 420 HD3 LYS 58 HD3 LYS 58 9.452 -6.127 3.543 421 HE2 LYS 58 HE2 LYS 58 7.129 -5.909 4.279 422 HE3 LYS 58 HE3 LYS 58 7.327 -7.278 5.387 423 HZ1 LYS 58 HZ1 LYS 58 7.621 -5.286 6.618 424 HZ2 LYS 58 HZ2 LYS 58 8.722 -4.668 5.553 425 HZ3 LYS 58 HZ3 LYS 58 9.112 -5.962 6.474 426 H THR 59 H THR 59 10.237 -11.215 0.396 427 HA THR 59 HA THR 59 12.146 -10.000 -1.490 428 HB THR 59 HB THR 59 12.049 -12.821 -0.474 429 HG1 THR 59 HG1 THR 59 13.291 -12.116 1.161 430 HG21 THR 59 HG21 THR 59 13.421 -12.696 -2.387 431 HG22 THR 59 HG22 THR 59 14.494 -12.680 -0.975 432 HG23 THR 59 HG23 THR 59 14.167 -11.159 -1.846 433 H LEU 60 H LEU 60 12.083 -10.270 -3.744 434 HA LEU 60 HA LEU 60 10.163 -12.288 -4.881 435 HB2 LEU 60 HB2 LEU 60 9.356 -9.943 -4.971 436 HB3 LEU 60 HB3 LEU 60 10.778 -9.463 -5.864 437 HG LEU 60 HG LEU 60 8.820 -9.503 -7.235 438 HD11 LEU 60 HD11 LEU 60 9.694 -10.586 -9.137 439 HD12 LEU 60 HD12 LEU 60 10.577 -11.775 -8.148 440 HD13 LEU 60 HD13 LEU 60 11.073 -10.087 -8.166 441 HD21 LEU 60 HD21 LEU 60 7.625 -11.550 -7.841 442 HD22 LEU 60 HD22 LEU 60 7.555 -11.335 -6.091 443 HD23 LEU 60 HD23 LEU 60 8.677 -12.526 -6.785 444 H VAL 61 H VAL 61 11.188 -13.703 -6.158 445 HA VAL 61 HA VAL 61 13.985 -13.113 -6.934 446 HB VAL 61 HB VAL 61 12.395 -15.791 -6.903 447 HG11 VAL 61 HG11 VAL 61 14.608 -16.920 -7.152 448 HG12 VAL 61 HG12 VAL 61 14.096 -15.948 -8.578 449 HG13 VAL 61 HG13 VAL 61 15.353 -15.316 -7.456 450 HG21 VAL 61 HG21 VAL 61 14.557 -14.730 -5.014 451 HG22 VAL 61 HG22 VAL 61 12.778 -14.904 -4.631 452 HG23 VAL 61 HG23 VAL 61 13.804 -16.326 -4.937 453 H VAL 62 H VAL 62 14.659 -12.902 -9.013 454 HA VAL 62 HA VAL 62 12.695 -13.640 -11.202 455 HB VAL 62 HB VAL 62 14.690 -11.311 -11.158 456 HG11 VAL 62 HG11 VAL 62 13.594 -10.706 -13.333 457 HG12 VAL 62 HG12 VAL 62 14.479 -12.264 -13.417 458 HG13 VAL 62 HG13 VAL 62 12.705 -12.220 -13.301 459 HG21 VAL 62 HG21 VAL 62 12.757 -10.782 -9.770 460 HG22 VAL 62 HG22 VAL 62 12.632 -9.842 -11.300 461 HG23 VAL 62 HG23 VAL 62 11.631 -11.319 -11.057 462 H THR 63 H THR 63 13.553 -15.181 -12.596 463 HA THR 63 HA THR 63 16.485 -15.649 -12.331 464 HB THR 63 HB THR 63 14.347 -17.761 -12.865 465 HG1 THR 63 HG1 THR 63 14.752 -18.337 -10.733 466 HG21 THR 63 HG21 THR 63 17.339 -17.878 -12.376 467 HG22 THR 63 HG22 THR 63 16.439 -18.463 -13.794 468 HG23 THR 63 HG23 THR 63 16.248 -19.273 -12.235 469 HA PRO 64 HA PRO 64 16.335 -14.638 -16.659 470 HB2 PRO 64 HB2 PRO 64 18.945 -14.957 -17.342 471 HB3 PRO 64 HB3 PRO 64 18.401 -13.635 -16.273 472 HG2 PRO 64 HG2 PRO 64 19.588 -16.279 -15.428 473 HG3 PRO 64 HG3 PRO 64 20.078 -14.637 -14.966 474 HD2 PRO 64 HD2 PRO 64 18.428 -16.088 -13.397 475 HD3 PRO 64 HD3 PRO 64 18.207 -14.308 -13.578 476 H ALA 65 H ALA 65 16.350 -15.810 -18.665 477 HA ALA 65 HA ALA 65 15.955 -18.665 -18.398 478 HB1 ALA 65 HB1 ALA 65 15.403 -18.640 -20.719 479 HB2 ALA 65 HB2 ALA 65 14.756 -17.141 -19.985 480 HB3 ALA 65 HB3 ALA 65 16.262 -17.084 -20.944 481 H ALA 66 H ALA 66 18.663 -16.747 -19.351 482 HA ALA 66 HA ALA 66 20.395 -19.141 -19.702 483 HB1 ALA 66 HB1 ALA 66 21.105 -18.496 -21.949 484 HB2 ALA 66 HB2 ALA 66 19.293 -18.504 -22.005 485 HB3 ALA 66 HB3 ALA 66 20.204 -16.942 -21.826 486 HA PRO 67 HA PRO 67 22.895 -16.254 -17.591 487 HB2 PRO 67 HB2 PRO 67 25.463 -16.566 -18.503 488 HB3 PRO 67 HB3 PRO 67 24.660 -17.830 -17.511 489 HG2 PRO 67 HG2 PRO 67 24.866 -17.631 -20.559 490 HG3 PRO 67 HG3 PRO 67 25.306 -19.017 -19.500 491 HD2 PRO 67 HD2 PRO 67 22.930 -18.998 -20.676 492 HD3 PRO 67 HD3 PRO 67 23.019 -19.493 -18.944 493 H LEU 68 H LEU 68 23.643 -14.142 -17.680 494 HA LEU 68 HA LEU 68 22.934 -12.798 -20.120 495 HB2 LEU 68 HB2 LEU 68 24.037 -11.640 -17.585 496 HB3 LEU 68 HB3 LEU 68 23.309 -10.750 -18.910 497 HG LEU 68 HG LEU 68 21.848 -12.694 -17.104 498 HD11 LEU 68 HD11 LEU 68 22.553 -10.490 -16.034 499 HD12 LEU 68 HD12 LEU 68 20.842 -10.800 -16.101 500 HD13 LEU 68 HD13 LEU 68 21.526 -9.677 -17.257 501 HD21 LEU 68 HD21 LEU 68 20.695 -12.760 -19.177 502 HD22 LEU 68 HD22 LEU 68 20.873 -11.027 -19.429 503 HD23 LEU 68 HD23 LEU 68 19.773 -11.660 -18.178 504 H ALA 69 H ALA 69 24.219 -11.866 -21.679 505 HA ALA 69 HA ALA 69 27.084 -12.403 -21.602 506 HB1 ALA 69 HB1 ALA 69 25.451 -10.725 -23.518 507 HB2 ALA 69 HB2 ALA 69 27.078 -11.354 -23.813 508 HB3 ALA 69 HB3 ALA 69 25.691 -12.473 -23.712 509 H ALA 70 H ALA 70 28.658 -10.494 -21.920 510 HA ALA 70 HA ALA 70 28.285 -8.524 -19.923 511 HB1 ALA 70 HB1 ALA 70 30.151 -8.477 -22.337 512 HB2 ALA 70 HB2 ALA 70 30.288 -7.470 -20.875 513 HB3 ALA 70 HB3 ALA 70 30.504 -9.218 -20.745 514 H GLY 71 H GLY 71 27.589 -6.307 -20.085 515 HA2 GLY 71 HA2 GLY 71 27.280 -4.585 -22.068 516 HA3 GLY 71 HA3 GLY 71 26.007 -5.748 -22.478 517 H ASN 72 H ASN 72 24.861 -3.427 -22.138 518 HA ASN 72 HA ASN 72 24.201 -3.047 -19.257 519 HB2 ASN 72 HB2 ASN 72 24.804 -1.145 -20.752 520 HB3 ASN 72 HB3 ASN 72 23.314 -1.412 -21.647 521 HD21 ASN 72 HD21 ASN 72 24.757 0.052 -18.940 522 HD22 ASN 72 HD22 ASN 72 23.281 0.680 -18.233 523 H TYR 73 H TYR 73 22.261 -3.473 -18.307 524 HA TYR 73 HA TYR 73 20.044 -4.473 -20.094 525 HB2 TYR 73 HB2 TYR 73 20.991 -5.460 -17.365 526 HB3 TYR 73 HB3 TYR 73 19.515 -5.990 -18.197 527 HD1 TYR 73 HD1 TYR 73 19.495 -7.697 -19.861 528 HD2 TYR 73 HD2 TYR 73 23.243 -6.050 -18.555 529 HE1 TYR 73 HE1 TYR 73 20.759 -9.437 -21.155 530 HE2 TYR 73 HE2 TYR 73 24.469 -7.768 -19.902 531 HH TYR 73 HH TYR 73 24.310 -9.563 -21.120 532 H LYS 74 H LYS 74 17.917 -4.173 -19.305 533 HA LYS 74 HA LYS 74 17.640 -2.033 -17.244 534 HB2 LYS 74 HB2 LYS 74 17.201 -1.194 -19.617 535 HB3 LYS 74 HB3 LYS 74 16.023 -2.484 -19.787 536 HG2 LYS 74 HG2 LYS 74 14.763 -0.529 -19.386 537 HG3 LYS 74 HG3 LYS 74 14.720 -1.443 -17.873 538 HD2 LYS 74 HD2 LYS 74 14.996 0.867 -17.275 539 HD3 LYS 74 HD3 LYS 74 16.545 0.050 -16.980 540 HE2 LYS 74 HE2 LYS 74 17.367 0.913 -19.230 541 HE3 LYS 74 HE3 LYS 74 15.795 1.728 -19.443 542 HZ1 LYS 74 HZ1 LYS 74 17.870 2.431 -17.494 543 HZ2 LYS 74 HZ2 LYS 74 16.326 3.023 -17.461 544 HZ3 LYS 74 HZ3 LYS 74 17.300 3.314 -18.765 545 H VAL 75 H VAL 75 16.143 -2.587 -15.658 546 HA VAL 75 HA VAL 75 14.527 -5.070 -16.105 547 HB VAL 75 HB VAL 75 15.632 -3.927 -13.435 548 HG11 VAL 75 HG11 VAL 75 14.667 -6.136 -12.464 549 HG12 VAL 75 HG12 VAL 75 13.466 -4.969 -13.035 550 HG13 VAL 75 HG13 VAL 75 13.861 -6.369 -14.044 551 HG21 VAL 75 HG21 VAL 75 16.396 -6.448 -14.978 552 HG22 VAL 75 HG22 VAL 75 17.426 -5.002 -14.651 553 HG23 VAL 75 HG23 VAL 75 16.917 -6.076 -13.303 554 H VAL 76 H VAL 76 12.413 -4.650 -16.210 555 HA VAL 76 HA VAL 76 11.401 -2.097 -14.940 556 HB VAL 76 HB VAL 76 10.409 -3.473 -17.489 557 HG11 VAL 76 HG11 VAL 76 8.551 -2.555 -16.320 558 HG12 VAL 76 HG12 VAL 76 9.406 -1.028 -15.998 559 HG13 VAL 76 HG13 VAL 76 8.903 -1.464 -17.667 560 HG21 VAL 76 HG21 VAL 76 11.182 -1.462 -18.694 561 HG22 VAL 76 HG22 VAL 76 11.773 -0.731 -17.186 562 HG23 VAL 76 HG23 VAL 76 12.558 -2.209 -17.798 563 H TRP 77 H TRP 77 9.681 -2.440 -13.453 564 HA TRP 77 HA TRP 77 8.509 -5.136 -13.501 565 HB2 TRP 77 HB2 TRP 77 8.876 -5.421 -11.053 566 HB3 TRP 77 HB3 TRP 77 10.363 -5.438 -11.958 567 HD1 TRP 77 HD1 TRP 77 12.027 -3.256 -11.632 568 HE1 TRP 77 HE1 TRP 77 12.221 -1.378 -9.986 569 HE3 TRP 77 HE3 TRP 77 7.580 -3.969 -9.280 570 HZ2 TRP 77 HZ2 TRP 77 10.566 -0.199 -8.004 571 HZ3 TRP 77 HZ3 TRP 77 6.936 -2.379 -7.398 572 HH2 TRP 77 HH2 TRP 77 8.377 -0.456 -6.865 573 H ASN 78 H ASN 78 6.584 -5.458 -12.673 574 HA ASN 78 HA ASN 78 5.101 -3.097 -11.561 575 HB2 ASN 78 HB2 ASN 78 4.116 -5.269 -13.440 576 HB3 ASN 78 HB3 ASN 78 3.091 -4.065 -12.675 577 HD21 ASN 78 HD21 ASN 78 4.229 -4.756 -15.566 578 HD22 ASN 78 HD22 ASN 78 4.548 -3.135 -16.182 579 H ALA 79 H ALA 79 4.611 -3.602 -9.416 580 HA ALA 79 HA ALA 79 4.460 -6.510 -8.736 581 HB1 ALA 79 HB1 ALA 79 6.538 -5.598 -7.834 582 HB2 ALA 79 HB2 ALA 79 5.620 -4.280 -7.056 583 HB3 ALA 79 HB3 ALA 79 5.393 -5.978 -6.534 584 H VAL 80 H VAL 80 2.859 -7.109 -7.220 585 HA VAL 80 HA VAL 80 0.938 -4.948 -6.506 586 HB VAL 80 HB VAL 80 0.303 -7.849 -7.364 587 HG11 VAL 80 HG11 VAL 80 -1.269 -7.077 -5.670 588 HG12 VAL 80 HG12 VAL 80 -1.568 -5.577 -6.627 589 HG13 VAL 80 HG13 VAL 80 -2.047 -7.212 -7.240 590 HG21 VAL 80 HG21 VAL 80 -0.934 -6.569 -9.269 591 HG22 VAL 80 HG22 VAL 80 0.049 -5.148 -8.781 592 HG23 VAL 80 HG23 VAL 80 0.792 -6.654 -9.368 593 H SER 81 H SER 81 0.611 -4.783 -4.424 594 HA SER 81 HA SER 81 2.065 -6.465 -2.609 595 HB2 SER 81 HB2 SER 81 1.200 -5.026 -0.903 596 HB3 SER 81 HB3 SER 81 1.782 -4.039 -2.216 597 HG SER 81 HG SER 81 -0.281 -3.386 -1.422 598 H VAL 82 H VAL 82 0.889 -7.419 -0.565 599 HA VAL 82 HA VAL 82 -1.162 -9.210 -1.478 600 HB VAL 82 HB VAL 82 -1.329 -10.013 0.805 601 HG11 VAL 82 HG11 VAL 82 1.071 -10.685 1.103 602 HG12 VAL 82 HG12 VAL 82 0.479 -10.967 -0.540 603 HG13 VAL 82 HG13 VAL 82 1.523 -9.550 -0.195 604 HG21 VAL 82 HG21 VAL 82 -0.104 -9.010 2.633 605 HG22 VAL 82 HG22 VAL 82 0.702 -7.848 1.520 606 HG23 VAL 82 HG23 VAL 82 -1.035 -7.741 1.835 607 H ASP 83 H ASP 83 -1.303 -6.009 -0.460 608 HA ASP 83 HA ASP 83 -4.125 -6.209 0.396 609 HB2 ASP 83 HB2 ASP 83 -2.330 -4.680 1.467 610 HB3 ASP 83 HB3 ASP 83 -2.487 -3.671 0.015 611 H THR 84 H THR 84 -2.819 -6.658 -2.349 612 HA THR 84 HA THR 84 -3.159 -6.399 -4.545 613 HB THR 84 HB THR 84 -5.477 -6.065 -5.378 614 HG1 THR 84 HG1 THR 84 -5.844 -4.938 -2.837 615 HG21 THR 84 HG21 THR 84 -6.579 -7.899 -4.193 616 HG22 THR 84 HG22 THR 84 -5.492 -7.730 -2.809 617 HG23 THR 84 HG23 THR 84 -4.872 -8.249 -4.375 618 H HIS 85 H HIS 85 -2.175 -3.945 -3.103 619 HA HIS 85 HA HIS 85 -3.097 -1.757 -4.838 620 HB2 HIS 85 HB2 HIS 85 -2.430 -1.418 -2.438 621 HB3 HIS 85 HB3 HIS 85 -0.767 -1.859 -2.871 622 HD1 HIS 85 HD1 HIS 85 -3.285 0.917 -3.113 623 HD2 HIS 85 HD2 HIS 85 0.632 0.088 -4.304 624 HE1 HIS 85 HE1 HIS 85 -2.280 3.086 -3.866 625 H LYS 86 H LYS 86 -2.124 -1.213 -6.763 626 HA LYS 86 HA LYS 86 0.101 -2.818 -7.748 627 HB2 LYS 86 HB2 LYS 86 -1.599 -0.630 -8.957 628 HB3 LYS 86 HB3 LYS 86 -0.234 -1.380 -9.778 629 HG2 LYS 86 HG2 LYS 86 -2.182 -2.405 -10.676 630 HG3 LYS 86 HG3 LYS 86 -1.239 -3.602 -9.745 631 HD2 LYS 86 HD2 LYS 86 -3.586 -4.031 -9.370 632 HD3 LYS 86 HD3 LYS 86 -2.919 -3.314 -7.852 633 HE2 LYS 86 HE2 LYS 86 -5.099 -2.359 -8.375 634 HE3 LYS 86 HE3 LYS 86 -3.844 -1.129 -8.511 635 HZ1 LYS 86 HZ1 LYS 86 -3.884 -1.423 -10.915 636 HZ2 LYS 86 HZ2 LYS 86 -5.374 -1.037 -10.379 637 HZ3 LYS 86 HZ3 LYS 86 -5.042 -2.579 -10.809 638 H SER 87 H SER 87 2.215 -2.107 -8.377 639 HA SER 87 HA SER 87 2.955 0.718 -7.887 640 HB2 SER 87 HB2 SER 87 3.284 -0.385 -5.674 641 HB3 SER 87 HB3 SER 87 4.263 -1.640 -6.465 642 HG SER 87 HG SER 87 5.485 0.073 -5.489 643 H ASN 88 H ASN 88 4.957 1.276 -9.086 644 HA ASN 88 HA ASN 88 6.064 -0.966 -10.694 645 HB2 ASN 88 HB2 ASN 88 5.848 0.225 -12.787 646 HB3 ASN 88 HB3 ASN 88 4.275 0.121 -12.012 647 HD21 ASN 88 HD21 ASN 88 6.070 2.050 -13.865 648 HD22 ASN 88 HD22 ASN 88 5.637 3.618 -13.243 649 H GLY 89 H GLY 89 8.111 -0.430 -11.874 650 HA2 GLY 89 HA2 GLY 89 9.434 2.061 -11.521 651 HA3 GLY 89 HA3 GLY 89 9.991 0.977 -10.276 652 H GLU 90 H GLU 90 11.940 1.791 -11.863 653 HA GLU 90 HA GLU 90 12.632 -0.625 -13.390 654 HB2 GLU 90 HB2 GLU 90 13.097 0.478 -15.495 655 HB3 GLU 90 HB3 GLU 90 11.436 0.861 -15.064 656 HG2 GLU 90 HG2 GLU 90 12.171 3.122 -14.354 657 HG3 GLU 90 HG3 GLU 90 13.802 2.715 -14.905 658 H TYR 91 H TYR 91 14.948 -0.753 -13.833 659 HA TYR 91 HA TYR 91 16.663 1.517 -13.154 660 HB2 TYR 91 HB2 TYR 91 17.982 0.349 -11.455 661 HB3 TYR 91 HB3 TYR 91 16.335 0.607 -10.906 662 HD1 TYR 91 HD1 TYR 91 18.950 -1.820 -11.770 663 HD2 TYR 91 HD2 TYR 91 14.746 -1.422 -10.714 664 HE1 TYR 91 HE1 TYR 91 18.898 -4.189 -11.173 665 HE2 TYR 91 HE2 TYR 91 14.720 -3.904 -10.153 666 HH TYR 91 HH TYR 91 17.641 -5.915 -10.372 667 H SER 92 H SER 92 19.017 0.941 -13.648 668 HA SER 92 HA SER 92 19.180 -1.309 -15.605 669 HB2 SER 92 HB2 SER 92 20.549 0.137 -17.053 670 HB3 SER 92 HB3 SER 92 18.992 0.906 -16.762 671 HG SER 92 HG SER 92 21.527 1.674 -16.103 672 H PHE 93 H PHE 93 21.320 -2.117 -15.990 673 HA PHE 93 HA PHE 93 23.470 -1.409 -14.156 674 HB2 PHE 93 HB2 PHE 93 23.605 -3.480 -12.947 675 HB3 PHE 93 HB3 PHE 93 21.948 -2.855 -12.747 676 HD1 PHE 93 HD1 PHE 93 20.038 -4.028 -13.873 677 HD2 PHE 93 HD2 PHE 93 24.058 -5.541 -14.119 678 HE1 PHE 93 HE1 PHE 93 19.180 -6.252 -14.748 679 HE2 PHE 93 HE2 PHE 93 23.191 -7.695 -15.038 680 HZ PHE 93 HZ PHE 93 20.791 -8.043 -15.330 681 H LYS 94 H LYS 94 25.442 -2.927 -14.505 682 HA LYS 94 HA LYS 94 25.339 -3.847 -17.343 683 HB2 LYS 94 HB2 LYS 94 26.503 -1.636 -16.976 684 HB3 LYS 94 HB3 LYS 94 27.646 -2.500 -15.928 685 HG2 LYS 94 HG2 LYS 94 28.349 -3.882 -17.860 686 HG3 LYS 94 HG3 LYS 94 27.220 -2.955 -18.883 687 HD2 LYS 94 HD2 LYS 94 28.356 -0.837 -18.175 688 HD3 LYS 94 HD3 LYS 94 29.543 -1.832 -17.291 689 HE2 LYS 94 HE2 LYS 94 30.160 -2.981 -19.447 690 HE3 LYS 94 HE3 LYS 94 29.063 -1.876 -20.345 691 HZ1 LYS 94 HZ1 LYS 94 31.305 -1.104 -20.397 692 HZ2 LYS 94 HZ2 LYS 94 31.421 -1.128 -18.746 693 HZ3 LYS 94 HZ3 LYS 94 30.401 -0.024 -19.476 694 H VAL 95 H VAL 95 26.116 -5.804 -17.785 695 HA VAL 95 HA VAL 95 27.156 -7.431 -15.536 696 HB VAL 95 HB VAL 95 26.540 -8.242 -18.409 697 HG11 VAL 95 HG11 VAL 95 28.235 -9.742 -17.558 698 HG12 VAL 95 HG12 VAL 95 27.323 -9.921 -16.039 699 HG13 VAL 95 HG13 VAL 95 26.637 -10.548 -17.565 700 HG21 VAL 95 HG21 VAL 95 24.617 -9.413 -17.322 701 HG22 VAL 95 HG22 VAL 95 25.031 -8.620 -15.781 702 HG23 VAL 95 HG23 VAL 95 24.520 -7.621 -17.150 703 H GLY 96 H GLY 96 29.281 -7.944 -15.281 704 HA2 GLY 96 HA2 GLY 96 31.166 -8.044 -17.441 705 HA3 GLY 96 HA3 GLY 96 31.336 -6.518 -16.520 706 H GLN 97 H GLN 97 31.635 -10.014 -16.527 707 HA GLN 97 HA GLN 97 32.205 -10.348 -13.697 708 HB2 GLN 97 HB2 GLN 97 31.390 -12.114 -15.297 709 HB3 GLN 97 HB3 GLN 97 32.999 -12.121 -16.032 710 HG2 GLN 97 HG2 GLN 97 33.935 -12.818 -13.884 711 HG3 GLN 97 HG3 GLN 97 32.337 -12.778 -13.163 712 HE21 GLN 97 HE21 GLN 97 34.582 -14.710 -14.412 713 HE22 GLN 97 HE22 GLN 97 33.593 -16.025 -14.928
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