NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
531542 | 2l96 | 17438 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 H1 LYS 1 -5.826 29.068 -8.793 2 H2 LYS 1 H2 LYS 1 -5.950 29.465 -7.147 3 H3 LYS 1 H3 LYS 1 -7.004 28.330 -7.830 4 HA LYS 1 HA LYS 1 -5.233 26.798 -8.212 5 HB2 LYS 1 HB2 LYS 1 -3.475 28.876 -6.893 6 HB3 LYS 1 HB3 LYS 1 -2.968 27.275 -7.416 7 HG2 LYS 1 HG2 LYS 1 -3.520 27.920 -9.744 8 HG3 LYS 1 HG3 LYS 1 -3.875 29.551 -9.167 9 HD2 LYS 1 HD2 LYS 1 -1.536 29.621 -8.244 10 HD3 LYS 1 HD3 LYS 1 -1.231 28.102 -9.093 11 HE2 LYS 1 HE2 LYS 1 -0.445 29.945 -10.436 12 HE3 LYS 1 HE3 LYS 1 -1.848 29.213 -11.215 13 HZ1 LYS 1 HZ1 LYS 1 -2.011 31.604 -11.278 14 HZ2 LYS 1 HZ2 LYS 1 -1.849 31.704 -9.594 15 HZ3 LYS 1 HZ3 LYS 1 -3.225 30.984 -10.268 16 H LYS 2 H LYS 2 -6.046 25.371 -6.843 17 HA LYS 2 HA LYS 2 -5.269 25.557 -4.056 18 HB2 LYS 2 HB2 LYS 2 -7.469 26.617 -4.040 19 HB3 LYS 2 HB3 LYS 2 -8.162 25.237 -4.889 20 HG2 LYS 2 HG2 LYS 2 -7.826 23.821 -3.003 21 HG3 LYS 2 HG3 LYS 2 -6.870 25.052 -2.177 22 HD2 LYS 2 HD2 LYS 2 -9.170 24.862 -1.298 23 HD3 LYS 2 HD3 LYS 2 -8.811 26.463 -1.942 24 HE2 LYS 2 HE2 LYS 2 -11.053 25.665 -2.579 25 HE3 LYS 2 HE3 LYS 2 -10.018 25.963 -3.973 26 HZ1 LYS 2 HZ1 LYS 2 -9.812 23.267 -3.069 27 HZ2 LYS 2 HZ2 LYS 2 -10.208 23.863 -4.605 28 HZ3 LYS 2 HZ3 LYS 2 -11.419 23.670 -3.432 29 H LEU 3 H LEU 3 -4.068 23.795 -4.031 30 HA LEU 3 HA LEU 3 -4.720 21.486 -5.617 31 HB2 LEU 3 HB2 LEU 3 -2.446 22.023 -3.707 32 HB3 LEU 3 HB3 LEU 3 -2.597 20.578 -4.686 33 HG LEU 3 HG LEU 3 -2.276 23.388 -5.739 34 HD11 LEU 3 HD11 LEU 3 -0.064 22.591 -6.456 35 HD12 LEU 3 HD12 LEU 3 -0.354 21.070 -5.610 36 HD13 LEU 3 HD13 LEU 3 -0.249 22.578 -4.702 37 HD21 LEU 3 HD21 LEU 3 -3.609 21.990 -7.229 38 HD22 LEU 3 HD22 LEU 3 -2.358 20.747 -7.194 39 HD23 LEU 3 HD23 LEU 3 -2.018 22.320 -7.917 40 H LYS 4 H LYS 4 -5.877 19.872 -4.980 41 HA LYS 4 HA LYS 4 -6.320 19.409 -2.113 42 HB2 LYS 4 HB2 LYS 4 -8.247 18.068 -2.811 43 HB3 LYS 4 HB3 LYS 4 -8.332 19.684 -3.503 44 HG2 LYS 4 HG2 LYS 4 -7.522 18.825 -5.634 45 HG3 LYS 4 HG3 LYS 4 -7.390 17.209 -4.939 46 HD2 LYS 4 HD2 LYS 4 -9.825 17.247 -4.497 47 HD3 LYS 4 HD3 LYS 4 -9.919 18.810 -5.314 48 HE2 LYS 4 HE2 LYS 4 -9.062 17.785 -7.361 49 HE3 LYS 4 HE3 LYS 4 -8.962 16.228 -6.542 50 HZ1 LYS 4 HZ1 LYS 4 -10.958 16.302 -7.828 51 HZ2 LYS 4 HZ2 LYS 4 -11.428 17.773 -7.140 52 HZ3 LYS 4 HZ3 LYS 4 -11.397 16.365 -6.189 53 H LEU 5 H LEU 5 -3.979 18.631 -3.885 54 HA LEU 5 HA LEU 5 -4.075 15.816 -4.263 55 HB2 LEU 5 HB2 LEU 5 -1.730 17.715 -4.204 56 HB3 LEU 5 HB3 LEU 5 -1.648 16.037 -4.710 57 HG LEU 5 HG LEU 5 -3.271 18.188 -6.077 58 HD11 LEU 5 HD11 LEU 5 -0.891 18.560 -6.368 59 HD12 LEU 5 HD12 LEU 5 -1.607 17.973 -7.871 60 HD13 LEU 5 HD13 LEU 5 -0.670 16.878 -6.851 61 HD21 LEU 5 HD21 LEU 5 -3.569 16.508 -7.835 62 HD22 LEU 5 HD22 LEU 5 -4.263 15.973 -6.303 63 HD23 LEU 5 HD23 LEU 5 -2.715 15.325 -6.844 64 H ALA 6 H ALA 6 -4.292 14.544 -2.575 65 HA ALA 6 HA ALA 6 -2.384 14.839 -0.349 66 HB1 ALA 6 HB1 ALA 6 -4.037 13.686 1.072 67 HB2 ALA 6 HB2 ALA 6 -5.168 13.669 -0.283 68 HB3 ALA 6 HB3 ALA 6 -4.657 15.205 0.421 69 HA PRO 7 HA PRO 7 -1.328 11.025 -2.758 70 HB2 PRO 7 HB2 PRO 7 1.338 11.137 -2.140 71 HB3 PRO 7 HB3 PRO 7 0.609 11.958 -3.525 72 HG2 PRO 7 HG2 PRO 7 1.322 13.058 -0.831 73 HG3 PRO 7 HG3 PRO 7 1.557 13.783 -2.433 74 HD2 PRO 7 HD2 PRO 7 -0.465 14.524 -0.827 75 HD3 PRO 7 HD3 PRO 7 -0.653 14.455 -2.591 76 H ALA 8 H ALA 8 -0.543 11.979 0.538 77 HA ALA 8 HA ALA 8 0.390 9.405 1.359 78 HB1 ALA 8 HB1 ALA 8 -0.648 11.643 3.093 79 HB2 ALA 8 HB2 ALA 8 1.004 11.527 2.490 80 HB3 ALA 8 HB3 ALA 8 0.380 10.301 3.594 81 H LYS 9 H LYS 9 -2.692 10.627 0.709 82 HA LYS 9 HA LYS 9 -4.013 8.804 2.578 83 HB2 LYS 9 HB2 LYS 9 -5.095 10.966 0.766 84 HB3 LYS 9 HB3 LYS 9 -6.104 9.932 1.767 85 HG2 LYS 9 HG2 LYS 9 -3.950 11.740 2.836 86 HG3 LYS 9 HG3 LYS 9 -5.658 12.165 2.744 87 HD2 LYS 9 HD2 LYS 9 -6.212 10.281 4.199 88 HD3 LYS 9 HD3 LYS 9 -4.506 9.842 4.284 89 HE2 LYS 9 HE2 LYS 9 -5.653 12.477 5.203 90 HE3 LYS 9 HE3 LYS 9 -5.314 11.109 6.261 91 HZ1 LYS 9 HZ1 LYS 9 -3.331 12.638 4.660 92 HZ2 LYS 9 HZ2 LYS 9 -2.973 11.246 5.556 93 HZ3 LYS 9 HZ3 LYS 9 -3.499 12.652 6.349 94 H LEU 10 H LEU 10 -2.856 8.714 -0.559 95 HA LEU 10 HA LEU 10 -4.844 6.682 -1.312 96 HB2 LEU 10 HB2 LEU 10 -3.822 8.890 -3.097 97 HB3 LEU 10 HB3 LEU 10 -4.800 7.540 -3.638 98 HG LEU 10 HG LEU 10 -5.688 9.636 -1.654 99 HD11 LEU 10 HD11 LEU 10 -5.434 10.590 -3.857 100 HD12 LEU 10 HD12 LEU 10 -7.146 10.399 -3.484 101 HD13 LEU 10 HD13 LEU 10 -6.348 9.263 -4.571 102 HD21 LEU 10 HD21 LEU 10 -7.909 8.640 -1.982 103 HD22 LEU 10 HD22 LEU 10 -6.771 7.499 -1.268 104 HD23 LEU 10 HD23 LEU 10 -7.189 7.376 -2.978 105 H ALA 11 H ALA 11 -1.585 7.980 -1.821 106 HA ALA 11 HA ALA 11 -0.979 5.734 -3.597 107 HB1 ALA 11 HB1 ALA 11 0.607 8.238 -3.074 108 HB2 ALA 11 HB2 ALA 11 -0.524 7.994 -4.407 109 HB3 ALA 11 HB3 ALA 11 0.942 7.019 -4.306 110 H LEU 12 H LEU 12 -0.811 6.103 -0.386 111 HA LEU 12 HA LEU 12 1.891 5.160 0.017 112 HB2 LEU 12 HB2 LEU 12 -0.431 5.501 1.904 113 HB3 LEU 12 HB3 LEU 12 1.081 4.761 2.398 114 HG LEU 12 HG LEU 12 0.647 7.601 1.484 115 HD11 LEU 12 HD11 LEU 12 1.517 8.136 3.706 116 HD12 LEU 12 HD12 LEU 12 1.639 6.413 4.069 117 HD13 LEU 12 HD13 LEU 12 0.058 7.148 3.799 118 HD21 LEU 12 HD21 LEU 12 3.053 7.924 1.782 119 HD22 LEU 12 HD22 LEU 12 2.722 6.751 0.507 120 HD23 LEU 12 HD23 LEU 12 3.248 6.202 2.097 121 H LEU 13 H LEU 13 1.511 3.444 -1.589 122 HA LEU 13 HA LEU 13 0.014 1.139 -0.626 123 HB2 LEU 13 HB2 LEU 13 1.606 1.520 -3.168 124 HB3 LEU 13 HB3 LEU 13 0.582 0.145 -2.798 125 HG LEU 13 HG LEU 13 -0.386 2.987 -3.138 126 HD11 LEU 13 HD11 LEU 13 0.403 2.025 -5.236 127 HD12 LEU 13 HD12 LEU 13 -1.354 2.180 -5.231 128 HD13 LEU 13 HD13 LEU 13 -0.607 0.603 -4.972 129 HD21 LEU 13 HD21 LEU 13 -1.747 1.660 -1.589 130 HD22 LEU 13 HD22 LEU 13 -1.921 0.411 -2.822 131 HD23 LEU 13 HD23 LEU 13 -2.610 2.012 -3.086 132 H TRP 14 H TRP 14 2.994 2.404 -0.149 133 HA TRP 14 HA TRP 14 4.838 1.686 0.939 134 HB2 TRP 14 HB2 TRP 14 3.342 -0.929 1.128 135 HB3 TRP 14 HB3 TRP 14 4.893 -0.615 1.905 136 HD1 TRP 14 HD1 TRP 14 4.822 1.634 3.649 137 HE1 TRP 14 HE1 TRP 14 2.986 2.228 5.358 138 HE3 TRP 14 HE3 TRP 14 0.978 -1.116 1.688 139 HZ2 TRP 14 HZ2 TRP 14 0.272 1.610 5.803 140 HZ3 TRP 14 HZ3 TRP 14 -1.205 -1.059 2.823 141 HH2 TRP 14 HH2 TRP 14 -1.548 0.273 4.835 142 H LYS 15 H LYS 15 3.732 -0.077 -1.831 143 HA LYS 15 HA LYS 15 6.073 -1.440 -2.515 144 HB2 LYS 15 HB2 LYS 15 3.949 -0.143 -4.226 145 HB3 LYS 15 HB3 LYS 15 5.250 -1.128 -4.890 146 HG2 LYS 15 HG2 LYS 15 4.476 -3.052 -3.654 147 HG3 LYS 15 HG3 LYS 15 3.244 -2.077 -2.851 148 HD2 LYS 15 HD2 LYS 15 2.096 -1.724 -4.938 149 HD3 LYS 15 HD3 LYS 15 3.391 -2.523 -5.832 150 HE2 LYS 15 HE2 LYS 15 1.398 -3.958 -5.488 151 HE3 LYS 15 HE3 LYS 15 2.874 -4.631 -4.796 152 HZ1 LYS 15 HZ1 LYS 15 0.826 -3.130 -3.252 153 HZ2 LYS 15 HZ2 LYS 15 2.185 -3.935 -2.626 154 HZ3 LYS 15 HZ3 LYS 15 0.925 -4.818 -3.325 155 H ALA 16 H ALA 16 7.867 -0.874 -3.712 156 HA ALA 16 HA ALA 16 9.624 0.401 -4.362 157 HB1 ALA 16 HB1 ALA 16 9.304 2.663 -5.190 158 HB2 ALA 16 HB2 ALA 16 7.668 2.689 -4.529 159 HB3 ALA 16 HB3 ALA 16 8.072 1.581 -5.842 160 H LEU 17 H LEU 17 7.522 2.175 -2.125 161 HA LEU 17 HA LEU 17 9.475 3.701 -0.847 162 HB2 LEU 17 HB2 LEU 17 7.098 4.122 -0.587 163 HB3 LEU 17 HB3 LEU 17 6.887 2.590 0.236 164 HG LEU 17 HG LEU 17 8.335 3.426 2.081 165 HD11 LEU 17 HD11 LEU 17 9.609 5.081 0.856 166 HD12 LEU 17 HD12 LEU 17 8.769 5.838 2.207 167 HD13 LEU 17 HD13 LEU 17 8.150 6.027 0.567 168 HD21 LEU 17 HD21 LEU 17 6.646 4.902 3.037 169 HD22 LEU 17 HD22 LEU 17 5.897 3.532 2.215 170 HD23 LEU 17 HD23 LEU 17 5.921 5.119 1.447 171 H ALA 18 H ALA 18 7.969 0.715 0.419 172 HA ALA 18 HA ALA 18 9.785 0.473 2.579 173 HB1 ALA 18 HB1 ALA 18 7.564 -0.536 2.633 174 HB2 ALA 18 HB2 ALA 18 8.809 -1.752 2.905 175 HB3 ALA 18 HB3 ALA 18 8.019 -1.634 1.333 176 H LEU 19 H LEU 19 9.980 -0.421 -0.731 177 HA LEU 19 HA LEU 19 12.009 -2.407 -0.435 178 HB2 LEU 19 HB2 LEU 19 10.995 -0.824 -2.779 179 HB3 LEU 19 HB3 LEU 19 12.394 -1.866 -2.926 180 HG LEU 19 HG LEU 19 10.512 -3.063 -3.737 181 HD11 LEU 19 HD11 LEU 19 12.091 -4.374 -2.439 182 HD12 LEU 19 HD12 LEU 19 10.453 -5.000 -2.248 183 HD13 LEU 19 HD13 LEU 19 11.184 -4.036 -0.963 184 HD21 LEU 19 HD21 LEU 19 8.732 -1.771 -2.692 185 HD22 LEU 19 HD22 LEU 19 9.134 -2.463 -1.121 186 HD23 LEU 19 HD23 LEU 19 8.509 -3.496 -2.407 187 H LYS 20 H LYS 20 12.046 1.014 -1.455 188 HA LYS 20 HA LYS 20 14.891 1.120 -1.534 189 HB2 LYS 20 HB2 LYS 20 12.744 3.210 -1.648 190 HB3 LYS 20 HB3 LYS 20 14.444 3.652 -1.575 191 HG2 LYS 20 HG2 LYS 20 13.156 1.934 -3.684 192 HG3 LYS 20 HG3 LYS 20 13.644 3.621 -3.869 193 HD2 LYS 20 HD2 LYS 20 15.969 3.006 -3.477 194 HD3 LYS 20 HD3 LYS 20 15.500 1.324 -3.233 195 HE2 LYS 20 HE2 LYS 20 15.131 2.900 -5.777 196 HE3 LYS 20 HE3 LYS 20 16.406 1.721 -5.481 197 HZ1 LYS 20 HZ1 LYS 20 13.490 1.158 -5.522 198 HZ2 LYS 20 HZ2 LYS 20 14.705 0.017 -5.196 199 HZ3 LYS 20 HZ3 LYS 20 14.605 0.743 -6.731 200 H LEU 21 H LEU 21 12.564 1.504 0.992 201 HA LEU 21 HA LEU 21 14.287 2.844 2.821 202 HB2 LEU 21 HB2 LEU 21 11.894 1.062 3.277 203 HB3 LEU 21 HB3 LEU 21 12.723 1.928 4.558 204 HG LEU 21 HG LEU 21 11.316 3.193 2.207 205 HD11 LEU 21 HD11 LEU 21 9.689 3.955 3.846 206 HD12 LEU 21 HD12 LEU 21 10.546 3.079 5.115 207 HD13 LEU 21 HD13 LEU 21 9.769 2.194 3.803 208 HD21 LEU 21 HD21 LEU 21 11.704 5.301 3.412 209 HD22 LEU 21 HD22 LEU 21 13.209 4.526 2.918 210 HD23 LEU 21 HD23 LEU 21 12.678 4.430 4.597 211 H LYS 22 H LYS 22 14.054 -0.377 1.650 212 HA LYS 22 HA LYS 22 16.002 -1.317 3.639 213 HB2 LYS 22 HB2 LYS 22 14.510 -2.845 1.490 214 HB3 LYS 22 HB3 LYS 22 15.642 -3.554 2.633 215 HG2 LYS 22 HG2 LYS 22 14.180 -2.944 4.479 216 HG3 LYS 22 HG3 LYS 22 13.051 -2.197 3.344 217 HD2 LYS 22 HD2 LYS 22 12.737 -4.374 2.247 218 HD3 LYS 22 HD3 LYS 22 13.841 -5.113 3.407 219 HE2 LYS 22 HE2 LYS 22 11.559 -5.542 4.072 220 HE3 LYS 22 HE3 LYS 22 12.323 -4.454 5.229 221 HZ1 LYS 22 HZ1 LYS 22 10.455 -3.664 3.057 222 HZ2 LYS 22 HZ2 LYS 22 11.223 -2.589 4.126 223 HZ3 LYS 22 HZ3 LYS 22 10.100 -3.716 4.713 224 H LYS 23 H LYS 23 16.032 0.415 1.002 225 HA LYS 23 HA LYS 23 17.430 0.934 -0.679 226 HB2 LYS 23 HB2 LYS 23 19.063 0.897 1.229 227 HB3 LYS 23 HB3 LYS 23 19.482 -0.745 0.765 228 HG2 LYS 23 HG2 LYS 23 20.275 0.019 -1.384 229 HG3 LYS 23 HG3 LYS 23 19.757 1.663 -1.019 230 HD2 LYS 23 HD2 LYS 23 22.182 1.342 -0.722 231 HD3 LYS 23 HD3 LYS 23 21.368 1.826 0.766 232 HE2 LYS 23 HE2 LYS 23 21.454 -0.397 1.623 233 HE3 LYS 23 HE3 LYS 23 22.012 -1.036 0.077 234 HZ1 LYS 23 HZ1 LYS 23 23.794 -0.777 1.759 235 HZ2 LYS 23 HZ2 LYS 23 23.550 0.902 1.731 236 HZ3 LYS 23 HZ3 LYS 23 24.083 0.095 0.338 237 H ALA 24 H ALA 24 15.717 -1.133 -1.205 238 HA ALA 24 HA ALA 24 17.258 -3.062 -2.766 239 HB1 ALA 24 HB1 ALA 24 15.381 -3.911 -1.436 240 HB2 ALA 24 HB2 ALA 24 15.121 -4.173 -3.161 241 HB3 ALA 24 HB3 ALA 24 14.278 -2.867 -2.331 Start of MODEL 2 1 H1 LYS 1 H1 LYS 1 -15.921 -6.132 8.723 2 H2 LYS 1 H2 LYS 1 -14.442 -6.954 8.596 3 H3 LYS 1 H3 LYS 1 -14.503 -5.277 8.352 4 HA LYS 1 HA LYS 1 -15.166 -4.957 10.654 5 HB2 LYS 1 HB2 LYS 1 -14.644 -7.934 10.829 6 HB3 LYS 1 HB3 LYS 1 -14.903 -6.873 12.208 7 HG2 LYS 1 HG2 LYS 1 -17.161 -6.382 11.410 8 HG3 LYS 1 HG3 LYS 1 -16.901 -7.441 10.022 9 HD2 LYS 1 HD2 LYS 1 -18.162 -8.591 11.760 10 HD3 LYS 1 HD3 LYS 1 -16.577 -9.337 11.547 11 HE2 LYS 1 HE2 LYS 1 -15.745 -8.085 13.488 12 HE3 LYS 1 HE3 LYS 1 -17.346 -7.381 13.708 13 HZ1 LYS 1 HZ1 LYS 1 -16.705 -10.276 13.842 14 HZ2 LYS 1 HZ2 LYS 1 -18.236 -9.587 14.091 15 HZ3 LYS 1 HZ3 LYS 1 -16.972 -9.267 15.178 16 H LYS 2 H LYS 2 -13.403 -3.660 10.541 17 HA LYS 2 HA LYS 2 -11.272 -2.930 10.785 18 HB2 LYS 2 HB2 LYS 2 -10.987 -5.535 12.299 19 HB3 LYS 2 HB3 LYS 2 -9.793 -4.242 12.295 20 HG2 LYS 2 HG2 LYS 2 -11.361 -2.733 13.331 21 HG3 LYS 2 HG3 LYS 2 -12.636 -3.950 13.247 22 HD2 LYS 2 HD2 LYS 2 -11.363 -5.392 14.750 23 HD3 LYS 2 HD3 LYS 2 -10.066 -4.197 14.809 24 HE2 LYS 2 HE2 LYS 2 -11.559 -2.588 15.840 25 HE3 LYS 2 HE3 LYS 2 -12.903 -3.723 15.715 26 HZ1 LYS 2 HZ1 LYS 2 -10.429 -4.214 17.283 27 HZ2 LYS 2 HZ2 LYS 2 -11.822 -5.189 17.245 28 HZ3 LYS 2 HZ3 LYS 2 -11.885 -3.642 17.936 29 H LEU 3 H LEU 3 -11.688 -3.846 8.347 30 HA LEU 3 HA LEU 3 -9.806 -5.876 7.570 31 HB2 LEU 3 HB2 LEU 3 -11.483 -3.972 5.938 32 HB3 LEU 3 HB3 LEU 3 -10.481 -5.240 5.255 33 HG LEU 3 HG LEU 3 -12.822 -5.690 7.115 34 HD11 LEU 3 HD11 LEU 3 -12.570 -6.126 4.140 35 HD12 LEU 3 HD12 LEU 3 -13.524 -4.867 4.925 36 HD13 LEU 3 HD13 LEU 3 -13.956 -6.563 5.138 37 HD21 LEU 3 HD21 LEU 3 -12.532 -8.050 6.504 38 HD22 LEU 3 HD22 LEU 3 -11.116 -7.410 7.340 39 HD23 LEU 3 HD23 LEU 3 -11.085 -7.631 5.589 40 H LYS 4 H LYS 4 -8.225 -4.310 8.859 41 HA LYS 4 HA LYS 4 -6.903 -2.473 7.014 42 HB2 LYS 4 HB2 LYS 4 -7.121 -1.899 9.424 43 HB3 LYS 4 HB3 LYS 4 -6.153 -3.308 9.828 44 HG2 LYS 4 HG2 LYS 4 -4.275 -2.319 8.524 45 HG3 LYS 4 HG3 LYS 4 -5.252 -0.864 8.314 46 HD2 LYS 4 HD2 LYS 4 -5.342 -0.571 10.736 47 HD3 LYS 4 HD3 LYS 4 -4.405 -2.048 10.956 48 HE2 LYS 4 HE2 LYS 4 -2.555 -1.012 9.684 49 HE3 LYS 4 HE3 LYS 4 -3.486 0.482 9.603 50 HZ1 LYS 4 HZ1 LYS 4 -1.889 0.560 11.399 51 HZ2 LYS 4 HZ2 LYS 4 -2.538 -0.854 12.082 52 HZ3 LYS 4 HZ3 LYS 4 -3.467 0.564 12.028 53 H LEU 5 H LEU 5 -6.865 -5.717 7.944 54 HA LEU 5 HA LEU 5 -4.066 -6.169 7.319 55 HB2 LEU 5 HB2 LEU 5 -6.244 -8.106 8.110 56 HB3 LEU 5 HB3 LEU 5 -4.537 -8.486 7.973 57 HG LEU 5 HG LEU 5 -5.725 -6.534 9.948 58 HD11 LEU 5 HD11 LEU 5 -5.196 -8.217 11.626 59 HD12 LEU 5 HD12 LEU 5 -4.657 -9.321 10.361 60 HD13 LEU 5 HD13 LEU 5 -6.350 -8.836 10.445 61 HD21 LEU 5 HD21 LEU 5 -3.444 -5.951 9.303 62 HD22 LEU 5 HD22 LEU 5 -2.914 -7.594 9.662 63 HD23 LEU 5 HD23 LEU 5 -3.499 -6.553 10.960 64 H ALA 6 H ALA 6 -5.301 -5.173 5.144 65 HA ALA 6 HA ALA 6 -5.343 -7.496 3.343 66 HB1 ALA 6 HB1 ALA 6 -7.167 -5.095 3.129 67 HB2 ALA 6 HB2 ALA 6 -7.652 -6.709 3.646 68 HB3 ALA 6 HB3 ALA 6 -7.088 -6.443 1.995 69 HA PRO 7 HA PRO 7 -2.056 -4.339 2.404 70 HB2 PRO 7 HB2 PRO 7 -0.682 -6.755 1.399 71 HB3 PRO 7 HB3 PRO 7 -0.107 -5.512 2.514 72 HG2 PRO 7 HG2 PRO 7 -0.750 -7.955 3.378 73 HG3 PRO 7 HG3 PRO 7 -1.102 -6.512 4.347 74 HD2 PRO 7 HD2 PRO 7 -2.945 -8.148 2.647 75 HD3 PRO 7 HD3 PRO 7 -3.232 -7.428 4.244 76 H ALA 8 H ALA 8 -3.409 -6.900 0.446 77 HA ALA 8 HA ALA 8 -2.326 -6.247 -2.043 78 HB1 ALA 8 HB1 ALA 8 -4.135 -7.572 -2.997 79 HB2 ALA 8 HB2 ALA 8 -4.999 -7.518 -1.462 80 HB3 ALA 8 HB3 ALA 8 -3.457 -8.366 -1.575 81 H LYS 9 H LYS 9 -4.968 -4.787 -0.285 82 HA LYS 9 HA LYS 9 -5.257 -2.870 -2.474 83 HB2 LYS 9 HB2 LYS 9 -7.749 -2.845 -2.063 84 HB3 LYS 9 HB3 LYS 9 -7.119 -4.271 -2.870 85 HG2 LYS 9 HG2 LYS 9 -7.220 -5.512 -0.771 86 HG3 LYS 9 HG3 LYS 9 -7.854 -4.076 0.041 87 HD2 LYS 9 HD2 LYS 9 -9.835 -4.109 -1.292 88 HD3 LYS 9 HD3 LYS 9 -9.175 -5.363 -2.341 89 HE2 LYS 9 HE2 LYS 9 -9.174 -6.923 -0.452 90 HE3 LYS 9 HE3 LYS 9 -9.864 -5.668 0.575 91 HZ1 LYS 9 HZ1 LYS 9 -11.493 -7.296 -0.368 92 HZ2 LYS 9 HZ2 LYS 9 -11.185 -6.629 -1.896 93 HZ3 LYS 9 HZ3 LYS 9 -11.853 -5.666 -0.674 94 H LEU 10 H LEU 10 -3.818 -2.648 -0.047 95 HA LEU 10 HA LEU 10 -5.054 -0.188 0.891 96 HB2 LEU 10 HB2 LEU 10 -5.796 -1.912 2.499 97 HB3 LEU 10 HB3 LEU 10 -4.121 -2.326 2.814 98 HG LEU 10 HG LEU 10 -3.747 -0.045 3.702 99 HD11 LEU 10 HD11 LEU 10 -5.656 1.393 4.166 100 HD12 LEU 10 HD12 LEU 10 -6.726 0.250 3.354 101 HD13 LEU 10 HD13 LEU 10 -5.489 1.106 2.434 102 HD21 LEU 10 HD21 LEU 10 -4.280 -1.865 5.222 103 HD22 LEU 10 HD22 LEU 10 -6.004 -1.579 4.986 104 HD23 LEU 10 HD23 LEU 10 -5.009 -0.360 5.783 105 H ALA 11 H ALA 11 -2.336 -2.318 1.754 106 HA ALA 11 HA ALA 11 -0.495 -0.064 1.582 107 HB1 ALA 11 HB1 ALA 11 -0.290 -1.617 3.473 108 HB2 ALA 11 HB2 ALA 11 1.169 -1.599 2.482 109 HB3 ALA 11 HB3 ALA 11 0.030 -2.939 2.349 110 H LEU 12 H LEU 12 -1.624 -0.575 -0.819 111 HA LEU 12 HA LEU 12 -0.330 -2.585 -2.355 112 HB2 LEU 12 HB2 LEU 12 -2.579 -1.754 -2.859 113 HB3 LEU 12 HB3 LEU 12 -1.918 -0.173 -3.232 114 HG LEU 12 HG LEU 12 -0.681 -1.157 -5.133 115 HD11 LEU 12 HD11 LEU 12 -0.440 -3.422 -4.279 116 HD12 LEU 12 HD12 LEU 12 -1.212 -3.428 -5.865 117 HD13 LEU 12 HD13 LEU 12 -2.182 -3.670 -4.412 118 HD21 LEU 12 HD21 LEU 12 -2.906 -0.165 -5.453 119 HD22 LEU 12 HD22 LEU 12 -3.639 -1.746 -5.175 120 HD23 LEU 12 HD23 LEU 12 -2.602 -1.487 -6.579 121 H LEU 13 H LEU 13 -0.069 0.970 -2.392 122 HA LEU 13 HA LEU 13 2.169 0.797 -4.235 123 HB2 LEU 13 HB2 LEU 13 0.326 2.468 -4.484 124 HB3 LEU 13 HB3 LEU 13 0.884 3.241 -3.014 125 HG LEU 13 HG LEU 13 3.049 3.725 -4.118 126 HD11 LEU 13 HD11 LEU 13 3.233 3.455 -6.548 127 HD12 LEU 13 HD12 LEU 13 1.687 2.607 -6.566 128 HD13 LEU 13 HD13 LEU 13 3.068 1.899 -5.731 129 HD21 LEU 13 HD21 LEU 13 2.198 5.475 -5.607 130 HD22 LEU 13 HD22 LEU 13 1.278 5.393 -4.103 131 HD23 LEU 13 HD23 LEU 13 0.607 4.712 -5.585 132 H TRP 14 H TRP 14 1.829 0.579 -0.984 133 HA TRP 14 HA TRP 14 3.835 2.306 0.008 134 HB2 TRP 14 HB2 TRP 14 2.017 1.308 1.383 135 HB3 TRP 14 HB3 TRP 14 2.790 -0.264 1.222 136 HD1 TRP 14 HD1 TRP 14 3.789 3.258 2.544 137 HE1 TRP 14 HE1 TRP 14 5.241 2.926 4.649 138 HE3 TRP 14 HE3 TRP 14 3.948 -1.854 2.619 139 HZ2 TRP 14 HZ2 TRP 14 6.307 0.779 6.132 140 HZ3 TRP 14 HZ3 TRP 14 5.206 -2.968 4.415 141 HH2 TRP 14 HH2 TRP 14 6.361 -1.679 6.137 142 H LYS 15 H LYS 15 4.019 -0.572 -1.771 143 HA LYS 15 HA LYS 15 6.310 -1.826 -0.827 144 HB2 LYS 15 HB2 LYS 15 5.510 -1.473 -3.721 145 HB3 LYS 15 HB3 LYS 15 6.618 -2.684 -3.096 146 HG2 LYS 15 HG2 LYS 15 4.728 -3.610 -1.760 147 HG3 LYS 15 HG3 LYS 15 3.657 -2.492 -2.611 148 HD2 LYS 15 HD2 LYS 15 4.425 -3.475 -4.754 149 HD3 LYS 15 HD3 LYS 15 5.362 -4.657 -3.842 150 HE2 LYS 15 HE2 LYS 15 3.326 -5.709 -4.470 151 HE3 LYS 15 HE3 LYS 15 3.220 -5.361 -2.746 152 HZ1 LYS 15 HZ1 LYS 15 1.172 -4.807 -3.916 153 HZ2 LYS 15 HZ2 LYS 15 2.015 -3.721 -4.910 154 HZ3 LYS 15 HZ3 LYS 15 1.885 -3.419 -3.249 155 H ALA 16 H ALA 16 5.974 0.924 -3.025 156 HA ALA 16 HA ALA 16 8.657 1.179 -3.779 157 HB1 ALA 16 HB1 ALA 16 6.583 3.357 -3.523 158 HB2 ALA 16 HB2 ALA 16 6.805 2.307 -4.921 159 HB3 ALA 16 HB3 ALA 16 8.075 3.441 -4.463 160 H LEU 17 H LEU 17 6.912 2.400 -0.991 161 HA LEU 17 HA LEU 17 9.000 4.134 -0.102 162 HB2 LEU 17 HB2 LEU 17 6.568 3.035 1.310 163 HB3 LEU 17 HB3 LEU 17 7.684 4.163 2.047 164 HG LEU 17 HG LEU 17 7.125 5.751 0.130 165 HD11 LEU 17 HD11 LEU 17 6.112 4.120 -1.372 166 HD12 LEU 17 HD12 LEU 17 4.986 5.417 -0.973 167 HD13 LEU 17 HD13 LEU 17 4.821 3.839 -0.203 168 HD21 LEU 17 HD21 LEU 17 5.099 6.526 1.235 169 HD22 LEU 17 HD22 LEU 17 6.322 6.041 2.411 170 HD23 LEU 17 HD23 LEU 17 4.954 4.980 2.069 171 H ALA 18 H ALA 18 7.793 0.972 1.000 172 HA ALA 18 HA ALA 18 9.703 0.689 3.070 173 HB1 ALA 18 HB1 ALA 18 7.587 -0.502 3.094 174 HB2 ALA 18 HB2 ALA 18 8.940 -1.630 3.192 175 HB3 ALA 18 HB3 ALA 18 8.074 -1.420 1.670 176 H LEU 19 H LEU 19 9.763 -0.103 -0.320 177 HA LEU 19 HA LEU 19 11.877 -1.978 -0.237 178 HB2 LEU 19 HB2 LEU 19 10.417 -1.832 -2.156 179 HB3 LEU 19 HB3 LEU 19 10.915 -0.178 -2.459 180 HG LEU 19 HG LEU 19 13.214 -1.003 -2.937 181 HD11 LEU 19 HD11 LEU 19 11.920 -3.717 -2.733 182 HD12 LEU 19 HD12 LEU 19 13.147 -3.063 -1.647 183 HD13 LEU 19 HD13 LEU 19 13.547 -3.391 -3.333 184 HD21 LEU 19 HD21 LEU 19 11.024 -2.230 -4.606 185 HD22 LEU 19 HD22 LEU 19 12.682 -1.928 -5.126 186 HD23 LEU 19 HD23 LEU 19 11.620 -0.574 -4.733 187 H LYS 20 H LYS 20 11.829 1.545 -0.627 188 HA LYS 20 HA LYS 20 14.565 1.645 -1.443 189 HB2 LYS 20 HB2 LYS 20 12.654 3.830 -0.631 190 HB3 LYS 20 HB3 LYS 20 14.280 4.119 -1.242 191 HG2 LYS 20 HG2 LYS 20 13.627 2.837 -3.300 192 HG3 LYS 20 HG3 LYS 20 11.970 2.847 -2.694 193 HD2 LYS 20 HD2 LYS 20 12.301 4.651 -4.284 194 HD3 LYS 20 HD3 LYS 20 12.006 5.300 -2.671 195 HE2 LYS 20 HE2 LYS 20 14.367 5.709 -2.358 196 HE3 LYS 20 HE3 LYS 20 14.735 4.942 -3.901 197 HZ1 LYS 20 HZ1 LYS 20 13.016 7.345 -3.665 198 HZ2 LYS 20 HZ2 LYS 20 13.706 6.694 -5.071 199 HZ3 LYS 20 HZ3 LYS 20 14.694 7.428 -3.901 200 H LEU 21 H LEU 21 13.144 1.339 1.604 201 HA LEU 21 HA LEU 21 15.388 2.529 3.008 202 HB2 LEU 21 HB2 LEU 21 12.913 1.086 3.867 203 HB3 LEU 21 HB3 LEU 21 14.263 1.212 4.978 204 HG LEU 21 HG LEU 21 14.152 3.717 4.682 205 HD11 LEU 21 HD11 LEU 21 11.521 3.060 3.371 206 HD12 LEU 21 HD12 LEU 21 12.928 3.764 2.577 207 HD13 LEU 21 HD13 LEU 21 12.079 4.669 3.830 208 HD21 LEU 21 HD21 LEU 21 11.734 2.334 5.824 209 HD22 LEU 21 HD22 LEU 21 12.252 3.978 6.192 210 HD23 LEU 21 HD23 LEU 21 13.267 2.610 6.652 211 H LYS 22 H LYS 22 14.487 -0.503 1.671 212 HA LYS 22 HA LYS 22 16.623 -1.929 3.062 213 HB2 LYS 22 HB2 LYS 22 14.737 -2.911 0.908 214 HB3 LYS 22 HB3 LYS 22 15.815 -3.904 1.875 215 HG2 LYS 22 HG2 LYS 22 14.533 -3.383 3.873 216 HG3 LYS 22 HG3 LYS 22 13.476 -2.326 2.933 217 HD2 LYS 22 HD2 LYS 22 12.832 -4.263 1.542 218 HD3 LYS 22 HD3 LYS 22 13.826 -5.301 2.563 219 HE2 LYS 22 HE2 LYS 22 11.504 -5.472 3.219 220 HE3 LYS 22 HE3 LYS 22 12.437 -4.693 4.497 221 HZ1 LYS 22 HZ1 LYS 22 11.419 -2.697 4.154 222 HZ2 LYS 22 HZ2 LYS 22 10.150 -3.731 3.699 223 HZ3 LYS 22 HZ3 LYS 22 11.111 -2.996 2.517 224 H LYS 23 H LYS 23 15.748 -0.601 -0.020 225 HA LYS 23 HA LYS 23 16.936 0.081 -1.808 226 HB2 LYS 23 HB2 LYS 23 19.340 -0.803 -0.215 227 HB3 LYS 23 HB3 LYS 23 19.430 0.001 -1.777 228 HG2 LYS 23 HG2 LYS 23 18.228 1.936 -0.803 229 HG3 LYS 23 HG3 LYS 23 18.281 1.134 0.768 230 HD2 LYS 23 HD2 LYS 23 20.707 1.851 -0.878 231 HD3 LYS 23 HD3 LYS 23 20.076 2.820 0.455 232 HE2 LYS 23 HE2 LYS 23 20.505 1.062 2.018 233 HE3 LYS 23 HE3 LYS 23 20.938 -0.055 0.724 234 HZ1 LYS 23 HZ1 LYS 23 22.877 0.879 1.877 235 HZ2 LYS 23 HZ2 LYS 23 22.421 2.435 1.381 236 HZ3 LYS 23 HZ3 LYS 23 22.859 1.270 0.228 237 H ALA 24 H ALA 24 16.982 -3.100 -0.670 238 HA ALA 24 HA ALA 24 17.209 -4.105 -3.378 239 HB1 ALA 24 HB1 ALA 24 19.529 -4.152 -2.572 240 HB2 ALA 24 HB2 ALA 24 18.890 -5.779 -2.811 241 HB3 ALA 24 HB3 ALA 24 19.019 -5.117 -1.182 Start of MODEL 3 1 H1 LYS 1 H1 LYS 1 -23.912 -1.056 2.287 2 H2 LYS 1 H2 LYS 1 -24.251 0.034 3.539 3 H3 LYS 1 H3 LYS 1 -23.379 -1.384 3.867 4 HA LYS 1 HA LYS 1 -22.489 0.901 2.204 5 HB2 LYS 1 HB2 LYS 1 -22.443 1.263 4.667 6 HB3 LYS 1 HB3 LYS 1 -21.433 -0.166 4.837 7 HG2 LYS 1 HG2 LYS 1 -20.002 1.713 4.943 8 HG3 LYS 1 HG3 LYS 1 -19.746 0.965 3.367 9 HD2 LYS 1 HD2 LYS 1 -19.852 3.374 3.126 10 HD3 LYS 1 HD3 LYS 1 -21.257 2.634 2.359 11 HE2 LYS 1 HE2 LYS 1 -22.639 3.189 4.271 12 HE3 LYS 1 HE3 LYS 1 -21.240 3.835 5.128 13 HZ1 LYS 1 HZ1 LYS 1 -22.672 5.545 4.073 14 HZ2 LYS 1 HZ2 LYS 1 -22.245 4.925 2.553 15 HZ3 LYS 1 HZ3 LYS 1 -21.058 5.599 3.557 16 H LYS 2 H LYS 2 -21.723 -0.118 0.423 17 HA LYS 2 HA LYS 2 -20.123 -2.539 0.726 18 HB2 LYS 2 HB2 LYS 2 -20.173 -2.607 -1.749 19 HB3 LYS 2 HB3 LYS 2 -21.779 -2.557 -1.037 20 HG2 LYS 2 HG2 LYS 2 -21.882 -0.141 -1.499 21 HG3 LYS 2 HG3 LYS 2 -20.303 -0.249 -2.278 22 HD2 LYS 2 HD2 LYS 2 -21.176 -1.744 -3.954 23 HD3 LYS 2 HD3 LYS 2 -22.738 -1.807 -3.134 24 HE2 LYS 2 HE2 LYS 2 -22.856 -0.307 -5.028 25 HE3 LYS 2 HE3 LYS 2 -23.019 0.601 -3.525 26 HZ1 LYS 2 HZ1 LYS 2 -21.558 1.755 -5.013 27 HZ2 LYS 2 HZ2 LYS 2 -20.579 0.381 -5.202 28 HZ3 LYS 2 HZ3 LYS 2 -20.642 1.171 -3.709 29 H LEU 3 H LEU 3 -19.623 0.745 0.671 30 HA LEU 3 HA LEU 3 -17.095 0.704 -0.727 31 HB2 LEU 3 HB2 LEU 3 -18.616 2.662 -0.818 32 HB3 LEU 3 HB3 LEU 3 -18.354 2.917 0.896 33 HG LEU 3 HG LEU 3 -15.954 3.313 0.453 34 HD11 LEU 3 HD11 LEU 3 -15.195 3.656 -1.838 35 HD12 LEU 3 HD12 LEU 3 -16.765 3.129 -2.442 36 HD13 LEU 3 HD13 LEU 3 -15.726 1.994 -1.580 37 HD21 LEU 3 HD21 LEU 3 -16.221 5.508 -0.557 38 HD22 LEU 3 HD22 LEU 3 -17.533 5.178 0.575 39 HD23 LEU 3 HD23 LEU 3 -17.813 5.048 -1.161 40 H LYS 4 H LYS 4 -16.370 -1.061 0.808 41 HA LYS 4 HA LYS 4 -14.862 0.229 2.974 42 HB2 LYS 4 HB2 LYS 4 -15.306 -1.469 4.545 43 HB3 LYS 4 HB3 LYS 4 -16.868 -1.097 3.840 44 HG2 LYS 4 HG2 LYS 4 -15.160 -3.415 2.972 45 HG3 LYS 4 HG3 LYS 4 -16.398 -3.523 4.220 46 HD2 LYS 4 HD2 LYS 4 -18.100 -2.861 2.598 47 HD3 LYS 4 HD3 LYS 4 -16.861 -2.714 1.348 48 HE2 LYS 4 HE2 LYS 4 -16.343 -5.098 1.592 49 HE3 LYS 4 HE3 LYS 4 -17.595 -5.243 2.825 50 HZ1 LYS 4 HZ1 LYS 4 -19.257 -4.660 1.185 51 HZ2 LYS 4 HZ2 LYS 4 -18.351 -5.987 0.634 52 HZ3 LYS 4 HZ3 LYS 4 -18.059 -4.444 -0.001 53 H LEU 5 H LEU 5 -14.518 -0.975 0.122 54 HA LEU 5 HA LEU 5 -12.134 -2.566 0.773 55 HB2 LEU 5 HB2 LEU 5 -13.932 -4.059 0.018 56 HB3 LEU 5 HB3 LEU 5 -14.121 -3.107 -1.441 57 HG LEU 5 HG LEU 5 -11.844 -3.750 -2.145 58 HD11 LEU 5 HD11 LEU 5 -10.686 -5.554 -0.948 59 HD12 LEU 5 HD12 LEU 5 -11.904 -5.478 0.326 60 HD13 LEU 5 HD13 LEU 5 -10.843 -4.100 0.037 61 HD21 LEU 5 HD21 LEU 5 -12.372 -6.062 -2.692 62 HD22 LEU 5 HD22 LEU 5 -13.792 -5.032 -2.877 63 HD23 LEU 5 HD23 LEU 5 -13.637 -6.075 -1.463 64 H ALA 6 H ALA 6 -10.669 -0.954 0.382 65 HA ALA 6 HA ALA 6 -10.285 -0.259 -2.423 66 HB1 ALA 6 HB1 ALA 6 -11.588 1.607 -1.556 67 HB2 ALA 6 HB2 ALA 6 -9.939 2.120 -1.921 68 HB3 ALA 6 HB3 ALA 6 -10.426 1.831 -0.250 69 HA PRO 7 HA PRO 7 -6.479 -1.511 0.000 70 HB2 PRO 7 HB2 PRO 7 -5.935 -3.088 -2.430 71 HB3 PRO 7 HB3 PRO 7 -5.959 -3.597 -0.739 72 HG2 PRO 7 HG2 PRO 7 -7.884 -4.327 -2.458 73 HG3 PRO 7 HG3 PRO 7 -8.230 -3.986 -0.753 74 HD2 PRO 7 HD2 PRO 7 -8.670 -2.256 -3.159 75 HD3 PRO 7 HD3 PRO 7 -9.728 -2.523 -1.758 76 H ALA 8 H ALA 8 -7.013 -0.415 -3.270 77 HA ALA 8 HA ALA 8 -4.296 0.177 -3.889 78 HB1 ALA 8 HB1 ALA 8 -6.822 1.268 -5.130 79 HB2 ALA 8 HB2 ALA 8 -5.972 -0.193 -5.633 80 HB3 ALA 8 HB3 ALA 8 -5.199 1.382 -5.809 81 H LYS 9 H LYS 9 -6.612 1.693 -1.924 82 HA LYS 9 HA LYS 9 -5.299 4.300 -2.132 83 HB2 LYS 9 HB2 LYS 9 -7.740 3.509 -0.533 84 HB3 LYS 9 HB3 LYS 9 -7.143 5.144 -0.782 85 HG2 LYS 9 HG2 LYS 9 -7.581 4.901 -3.201 86 HG3 LYS 9 HG3 LYS 9 -8.257 3.302 -2.888 87 HD2 LYS 9 HD2 LYS 9 -10.082 4.833 -3.035 88 HD3 LYS 9 HD3 LYS 9 -9.894 4.396 -1.336 89 HE2 LYS 9 HE2 LYS 9 -8.644 6.477 -0.956 90 HE3 LYS 9 HE3 LYS 9 -8.876 6.915 -2.647 91 HZ1 LYS 9 HZ1 LYS 9 -10.939 6.665 -0.535 92 HZ2 LYS 9 HZ2 LYS 9 -11.325 6.771 -2.184 93 HZ3 LYS 9 HZ3 LYS 9 -10.517 8.049 -1.423 94 H LEU 10 H LEU 10 -4.723 1.525 -0.569 95 HA LEU 10 HA LEU 10 -3.782 2.892 1.860 96 HB2 LEU 10 HB2 LEU 10 -5.038 0.151 1.707 97 HB3 LEU 10 HB3 LEU 10 -4.314 0.845 3.143 98 HG LEU 10 HG LEU 10 -6.742 1.933 1.717 99 HD11 LEU 10 HD11 LEU 10 -7.203 -0.182 2.820 100 HD12 LEU 10 HD12 LEU 10 -7.968 1.152 3.683 101 HD13 LEU 10 HD13 LEU 10 -6.489 0.426 4.313 102 HD21 LEU 10 HD21 LEU 10 -6.950 3.383 3.679 103 HD22 LEU 10 HD22 LEU 10 -5.453 3.687 2.796 104 HD23 LEU 10 HD23 LEU 10 -5.420 2.760 4.297 105 H ALA 11 H ALA 11 -3.517 -0.410 0.533 106 HA ALA 11 HA ALA 11 -0.796 -0.522 1.515 107 HB1 ALA 11 HB1 ALA 11 -2.294 -2.389 1.911 108 HB2 ALA 11 HB2 ALA 11 -0.906 -2.892 0.946 109 HB3 ALA 11 HB3 ALA 11 -2.472 -2.634 0.175 110 H LEU 12 H LEU 12 -1.980 0.710 -1.230 111 HA LEU 12 HA LEU 12 -0.238 -0.501 -3.159 112 HB2 LEU 12 HB2 LEU 12 -2.375 0.612 -3.760 113 HB3 LEU 12 HB3 LEU 12 -1.676 2.150 -3.291 114 HG LEU 12 HG LEU 12 0.041 1.873 -5.072 115 HD11 LEU 12 HD11 LEU 12 0.000 -0.563 -5.219 116 HD12 LEU 12 HD12 LEU 12 -0.294 0.184 -6.790 117 HD13 LEU 12 HD13 LEU 12 -1.637 -0.500 -5.872 118 HD21 LEU 12 HD21 LEU 12 -2.825 1.747 -6.007 119 HD22 LEU 12 HD22 LEU 12 -1.459 2.362 -6.939 120 HD23 LEU 12 HD23 LEU 12 -1.976 3.193 -5.471 121 H LEU 13 H LEU 13 -0.114 2.274 -1.032 122 HA LEU 13 HA LEU 13 2.411 3.179 -2.154 123 HB2 LEU 13 HB2 LEU 13 0.668 4.810 -1.474 124 HB3 LEU 13 HB3 LEU 13 0.810 4.246 0.178 125 HG LEU 13 HG LEU 13 3.161 5.027 0.218 126 HD11 LEU 13 HD11 LEU 13 2.496 6.199 -2.476 127 HD12 LEU 13 HD12 LEU 13 3.643 4.897 -2.164 128 HD13 LEU 13 HD13 LEU 13 3.957 6.516 -1.540 129 HD21 LEU 13 HD21 LEU 13 2.643 7.400 0.362 130 HD22 LEU 13 HD22 LEU 13 1.351 6.433 1.074 131 HD23 LEU 13 HD23 LEU 13 1.144 7.139 -0.529 132 H TRP 14 H TRP 14 3.063 0.852 -1.454 133 HA TRP 14 HA TRP 14 4.508 1.132 1.077 134 HB2 TRP 14 HB2 TRP 14 2.359 -0.152 1.450 135 HB3 TRP 14 HB3 TRP 14 2.997 -1.394 0.380 136 HD1 TRP 14 HD1 TRP 14 3.365 0.030 3.881 137 HE1 TRP 14 HE1 TRP 14 4.806 -1.564 5.300 138 HE3 TRP 14 HE3 TRP 14 4.926 -3.136 0.186 139 HZ2 TRP 14 HZ2 TRP 14 6.404 -3.855 4.895 140 HZ3 TRP 14 HZ3 TRP 14 6.414 -5.002 0.788 141 HH2 TRP 14 HH2 TRP 14 7.135 -5.350 3.094 142 H LYS 15 H LYS 15 4.015 -0.625 -1.933 143 HA LYS 15 HA LYS 15 6.196 -2.340 -1.825 144 HB2 LYS 15 HB2 LYS 15 4.761 -1.112 -4.173 145 HB3 LYS 15 HB3 LYS 15 6.024 -2.323 -4.353 146 HG2 LYS 15 HG2 LYS 15 4.712 -3.905 -3.051 147 HG3 LYS 15 HG3 LYS 15 3.452 -2.689 -2.832 148 HD2 LYS 15 HD2 LYS 15 2.898 -2.711 -5.132 149 HD3 LYS 15 HD3 LYS 15 4.361 -3.606 -5.551 150 HE2 LYS 15 HE2 LYS 15 2.119 -4.687 -3.848 151 HE3 LYS 15 HE3 LYS 15 2.296 -4.987 -5.578 152 HZ1 LYS 15 HZ1 LYS 15 4.290 -5.729 -3.498 153 HZ2 LYS 15 HZ2 LYS 15 4.403 -6.059 -5.159 154 HZ3 LYS 15 HZ3 LYS 15 3.193 -6.800 -4.228 155 H ALA 16 H ALA 16 6.015 0.754 -3.599 156 HA ALA 16 HA ALA 16 8.797 0.747 -4.218 157 HB1 ALA 16 HB1 ALA 16 6.838 3.038 -4.298 158 HB2 ALA 16 HB2 ALA 16 7.151 1.906 -5.615 159 HB3 ALA 16 HB3 ALA 16 8.422 2.999 -5.066 160 H LEU 17 H LEU 17 6.985 1.710 -1.487 161 HA LEU 17 HA LEU 17 8.796 3.661 -0.469 162 HB2 LEU 17 HB2 LEU 17 6.436 3.577 0.206 163 HB3 LEU 17 HB3 LEU 17 6.698 2.012 0.951 164 HG LEU 17 HG LEU 17 8.242 3.055 2.570 165 HD11 LEU 17 HD11 LEU 17 9.019 4.923 1.230 166 HD12 LEU 17 HD12 LEU 17 8.323 5.500 2.744 167 HD13 LEU 17 HD13 LEU 17 7.402 5.630 1.246 168 HD21 LEU 17 HD21 LEU 17 5.895 2.767 3.144 169 HD22 LEU 17 HD22 LEU 17 5.515 4.331 2.423 170 HD23 LEU 17 HD23 LEU 17 6.535 4.245 3.860 171 H ALA 18 H ALA 18 8.079 0.312 0.550 172 HA ALA 18 HA ALA 18 10.263 0.163 2.353 173 HB1 ALA 18 HB1 ALA 18 9.744 -2.202 2.505 174 HB2 ALA 18 HB2 ALA 18 8.741 -2.096 1.057 175 HB3 ALA 18 HB3 ALA 18 8.259 -1.248 2.525 176 H LEU 19 H LEU 19 9.946 -0.401 -1.049 177 HA LEU 19 HA LEU 19 12.063 -2.123 -1.564 178 HB2 LEU 19 HB2 LEU 19 10.363 -1.373 -3.210 179 HB3 LEU 19 HB3 LEU 19 11.154 0.189 -3.275 180 HG LEU 19 HG LEU 19 13.204 -0.923 -4.137 181 HD11 LEU 19 HD11 LEU 19 13.054 -3.227 -4.919 182 HD12 LEU 19 HD12 LEU 19 11.426 -3.355 -4.252 183 HD13 LEU 19 HD13 LEU 19 12.805 -3.133 -3.176 184 HD21 LEU 19 HD21 LEU 19 12.326 -1.349 -6.378 185 HD22 LEU 19 HD22 LEU 19 11.595 0.090 -5.664 186 HD23 LEU 19 HD23 LEU 19 10.689 -1.422 -5.724 187 H LYS 20 H LYS 20 12.082 1.424 -1.398 188 HA LYS 20 HA LYS 20 14.996 1.404 -1.568 189 HB2 LYS 20 HB2 LYS 20 14.736 3.908 -1.631 190 HB3 LYS 20 HB3 LYS 20 14.024 3.041 -2.982 191 HG2 LYS 20 HG2 LYS 20 11.818 3.292 -2.028 192 HG3 LYS 20 HG3 LYS 20 12.503 4.065 -0.595 193 HD2 LYS 20 HD2 LYS 20 13.253 5.936 -1.885 194 HD3 LYS 20 HD3 LYS 20 12.814 5.138 -3.395 195 HE2 LYS 20 HE2 LYS 20 10.832 5.850 -1.244 196 HE3 LYS 20 HE3 LYS 20 11.212 6.900 -2.607 197 HZ1 LYS 20 HZ1 LYS 20 10.434 5.227 -4.120 198 HZ2 LYS 20 HZ2 LYS 20 9.223 5.530 -2.972 199 HZ3 LYS 20 HZ3 LYS 20 10.170 4.132 -2.852 200 H LEU 21 H LEU 21 12.645 1.284 0.783 201 HA LEU 21 HA LEU 21 13.971 2.862 2.780 202 HB2 LEU 21 HB2 LEU 21 11.515 2.403 2.773 203 HB3 LEU 21 HB3 LEU 21 11.867 0.727 3.147 204 HG LEU 21 HG LEU 21 12.885 1.425 5.283 205 HD11 LEU 21 HD11 LEU 21 11.933 4.177 4.501 206 HD12 LEU 21 HD12 LEU 21 13.614 3.660 4.629 207 HD13 LEU 21 HD13 LEU 21 12.597 3.719 6.069 208 HD21 LEU 21 HD21 LEU 21 10.080 2.423 4.807 209 HD22 LEU 21 HD22 LEU 21 10.794 2.102 6.387 210 HD23 LEU 21 HD23 LEU 21 10.552 0.780 5.245 211 H LYS 22 H LYS 22 13.876 -0.532 1.839 212 HA LYS 22 HA LYS 22 15.818 -1.217 3.900 213 HB2 LYS 22 HB2 LYS 22 15.633 -3.503 3.084 214 HB3 LYS 22 HB3 LYS 22 14.030 -2.830 3.344 215 HG2 LYS 22 HG2 LYS 22 13.870 -2.389 0.915 216 HG3 LYS 22 HG3 LYS 22 15.432 -3.178 0.702 217 HD2 LYS 22 HD2 LYS 22 13.023 -4.518 1.930 218 HD3 LYS 22 HD3 LYS 22 13.440 -4.632 0.222 219 HE2 LYS 22 HE2 LYS 22 14.343 -6.580 1.138 220 HE3 LYS 22 HE3 LYS 22 15.721 -5.489 1.044 221 HZ1 LYS 22 HZ1 LYS 22 14.118 -6.091 3.474 222 HZ2 LYS 22 HZ2 LYS 22 15.380 -4.968 3.405 223 HZ3 LYS 22 HZ3 LYS 22 15.705 -6.608 3.159 224 H LYS 23 H LYS 23 15.645 -0.301 0.625 225 HA LYS 23 HA LYS 23 17.141 0.175 -0.991 226 HB2 LYS 23 HB2 LYS 23 17.940 1.608 0.932 227 HB3 LYS 23 HB3 LYS 23 19.159 0.381 1.245 228 HG2 LYS 23 HG2 LYS 23 20.032 2.279 -0.047 229 HG3 LYS 23 HG3 LYS 23 20.151 0.756 -0.929 230 HD2 LYS 23 HD2 LYS 23 19.383 2.410 -2.461 231 HD3 LYS 23 HD3 LYS 23 18.015 1.362 -2.088 232 HE2 LYS 23 HE2 LYS 23 17.183 3.569 -2.045 233 HE3 LYS 23 HE3 LYS 23 17.333 3.071 -0.361 234 HZ1 LYS 23 HZ1 LYS 23 19.387 4.318 -0.194 235 HZ2 LYS 23 HZ2 LYS 23 18.141 5.329 -0.750 236 HZ3 LYS 23 HZ3 LYS 23 19.301 4.740 -1.836 237 H ALA 24 H ALA 24 16.728 -2.547 -0.652 238 HA ALA 24 HA ALA 24 19.396 -3.651 -1.208 239 HB1 ALA 24 HB1 ALA 24 18.361 -4.608 0.805 240 HB2 ALA 24 HB2 ALA 24 18.579 -5.813 -0.465 241 HB3 ALA 24 HB3 ALA 24 16.982 -5.127 -0.163 Start of MODEL 4 1 H1 LYS 1 H1 LYS 1 -23.891 -1.618 -5.699 2 H2 LYS 1 H2 LYS 1 -23.919 -1.390 -7.381 3 H3 LYS 1 H3 LYS 1 -24.445 -0.151 -6.349 4 HA LYS 1 HA LYS 1 -21.690 -1.211 -6.419 5 HB2 LYS 1 HB2 LYS 1 -21.155 1.022 -7.474 6 HB3 LYS 1 HB3 LYS 1 -22.012 -0.112 -8.506 7 HG2 LYS 1 HG2 LYS 1 -24.081 1.077 -8.171 8 HG3 LYS 1 HG3 LYS 1 -23.315 2.144 -6.992 9 HD2 LYS 1 HD2 LYS 1 -22.486 1.920 -9.883 10 HD3 LYS 1 HD3 LYS 1 -23.574 3.159 -9.252 11 HE2 LYS 1 HE2 LYS 1 -20.755 2.703 -8.286 12 HE3 LYS 1 HE3 LYS 1 -21.213 3.910 -9.484 13 HZ1 LYS 1 HZ1 LYS 1 -22.297 3.816 -6.720 14 HZ2 LYS 1 HZ2 LYS 1 -22.545 5.037 -7.869 15 HZ3 LYS 1 HZ3 LYS 1 -21.005 4.798 -7.204 16 H LYS 2 H LYS 2 -22.221 -1.282 -4.048 17 HA LYS 2 HA LYS 2 -21.584 1.344 -2.884 18 HB2 LYS 2 HB2 LYS 2 -24.009 0.633 -2.564 19 HB3 LYS 2 HB3 LYS 2 -23.400 -0.672 -1.558 20 HG2 LYS 2 HG2 LYS 2 -22.426 0.952 -0.024 21 HG3 LYS 2 HG3 LYS 2 -23.010 2.272 -1.044 22 HD2 LYS 2 HD2 LYS 2 -25.316 1.509 -0.687 23 HD3 LYS 2 HD3 LYS 2 -24.717 0.220 0.360 24 HE2 LYS 2 HE2 LYS 2 -23.808 1.874 1.896 25 HE3 LYS 2 HE3 LYS 2 -24.351 3.175 0.837 26 HZ1 LYS 2 HZ1 LYS 2 -25.875 2.829 2.681 27 HZ2 LYS 2 HZ2 LYS 2 -26.117 1.219 2.205 28 HZ3 LYS 2 HZ3 LYS 2 -26.631 2.485 1.201 29 H LEU 3 H LEU 3 -19.573 -0.253 -3.531 30 HA LEU 3 HA LEU 3 -18.875 -1.824 -1.154 31 HB2 LEU 3 HB2 LEU 3 -17.677 -1.692 -3.920 32 HB3 LEU 3 HB3 LEU 3 -16.904 -2.533 -2.592 33 HG LEU 3 HG LEU 3 -19.023 -3.941 -2.431 34 HD11 LEU 3 HD11 LEU 3 -19.506 -2.721 -5.142 35 HD12 LEU 3 HD12 LEU 3 -20.508 -2.497 -3.708 36 HD13 LEU 3 HD13 LEU 3 -20.382 -4.089 -4.457 37 HD21 LEU 3 HD21 LEU 3 -17.350 -4.083 -4.934 38 HD22 LEU 3 HD22 LEU 3 -18.321 -5.398 -4.269 39 HD23 LEU 3 HD23 LEU 3 -16.939 -4.777 -3.366 40 H LYS 4 H LYS 4 -17.772 -0.821 0.360 41 HA LYS 4 HA LYS 4 -16.135 1.503 -0.282 42 HB2 LYS 4 HB2 LYS 4 -16.919 0.211 2.327 43 HB3 LYS 4 HB3 LYS 4 -15.733 1.501 2.240 44 HG2 LYS 4 HG2 LYS 4 -17.778 2.501 2.848 45 HG3 LYS 4 HG3 LYS 4 -17.502 2.919 1.158 46 HD2 LYS 4 HD2 LYS 4 -19.092 1.277 0.428 47 HD3 LYS 4 HD3 LYS 4 -19.253 0.636 2.065 48 HE2 LYS 4 HE2 LYS 4 -20.013 3.431 1.214 49 HE3 LYS 4 HE3 LYS 4 -21.142 2.089 1.400 50 HZ1 LYS 4 HZ1 LYS 4 -21.112 3.503 3.362 51 HZ2 LYS 4 HZ2 LYS 4 -19.449 3.235 3.560 52 HZ3 LYS 4 HZ3 LYS 4 -20.543 1.948 3.737 53 H LEU 5 H LEU 5 -15.876 -1.814 0.688 54 HA LEU 5 HA LEU 5 -12.989 -1.646 1.037 55 HB2 LEU 5 HB2 LEU 5 -14.851 -4.014 1.265 56 HB3 LEU 5 HB3 LEU 5 -13.149 -4.010 1.685 57 HG LEU 5 HG LEU 5 -15.291 -2.385 3.064 58 HD11 LEU 5 HD11 LEU 5 -14.926 -3.912 4.932 59 HD12 LEU 5 HD12 LEU 5 -13.777 -4.833 3.961 60 HD13 LEU 5 HD13 LEU 5 -15.478 -4.781 3.499 61 HD21 LEU 5 HD21 LEU 5 -13.544 -1.850 4.676 62 HD22 LEU 5 HD22 LEU 5 -13.103 -1.283 3.065 63 HD23 LEU 5 HD23 LEU 5 -12.368 -2.747 3.716 64 H ALA 6 H ALA 6 -12.852 -0.973 -1.278 65 HA ALA 6 HA ALA 6 -12.418 -3.377 -2.907 66 HB1 ALA 6 HB1 ALA 6 -13.562 -0.782 -3.938 67 HB2 ALA 6 HB2 ALA 6 -14.465 -2.277 -3.692 68 HB3 ALA 6 HB3 ALA 6 -13.183 -2.210 -4.902 69 HA PRO 7 HA PRO 7 -8.622 -0.747 -2.662 70 HB2 PRO 7 HB2 PRO 7 -7.178 -3.141 -1.945 71 HB3 PRO 7 HB3 PRO 7 -7.463 -1.699 -0.972 72 HG2 PRO 7 HG2 PRO 7 -8.549 -4.146 -0.418 73 HG3 PRO 7 HG3 PRO 7 -9.283 -2.606 0.070 74 HD2 PRO 7 HD2 PRO 7 -9.950 -4.374 -2.258 75 HD3 PRO 7 HD3 PRO 7 -11.040 -3.501 -1.159 76 H ALA 8 H ALA 8 -9.490 -1.237 -5.042 77 HA ALA 8 HA ALA 8 -8.243 -3.285 -6.541 78 HB1 ALA 8 HB1 ALA 8 -10.283 -2.189 -7.287 79 HB2 ALA 8 HB2 ALA 8 -9.017 -2.043 -8.508 80 HB3 ALA 8 HB3 ALA 8 -9.412 -0.667 -7.477 81 H LYS 9 H LYS 9 -7.094 -0.258 -5.403 82 HA LYS 9 HA LYS 9 -4.586 -0.700 -6.840 83 HB2 LYS 9 HB2 LYS 9 -5.807 0.986 -8.147 84 HB3 LYS 9 HB3 LYS 9 -5.992 1.975 -6.705 85 HG2 LYS 9 HG2 LYS 9 -3.548 2.197 -6.566 86 HG3 LYS 9 HG3 LYS 9 -3.397 1.260 -8.052 87 HD2 LYS 9 HD2 LYS 9 -4.676 2.959 -9.255 88 HD3 LYS 9 HD3 LYS 9 -4.839 3.894 -7.767 89 HE2 LYS 9 HE2 LYS 9 -3.061 4.832 -9.088 90 HE3 LYS 9 HE3 LYS 9 -2.374 4.068 -7.655 91 HZ1 LYS 9 HZ1 LYS 9 -1.901 2.095 -9.082 92 HZ2 LYS 9 HZ2 LYS 9 -1.039 3.486 -9.513 93 HZ3 LYS 9 HZ3 LYS 9 -2.383 3.008 -10.430 94 H LEU 10 H LEU 10 -6.323 0.844 -4.204 95 HA LEU 10 HA LEU 10 -3.850 1.722 -2.960 96 HB2 LEU 10 HB2 LEU 10 -6.737 2.072 -2.167 97 HB3 LEU 10 HB3 LEU 10 -5.394 2.647 -1.203 98 HG LEU 10 HG LEU 10 -4.717 4.048 -3.222 99 HD11 LEU 10 HD11 LEU 10 -7.506 3.326 -4.100 100 HD12 LEU 10 HD12 LEU 10 -6.006 2.903 -4.925 101 HD13 LEU 10 HD13 LEU 10 -6.500 4.591 -4.806 102 HD21 LEU 10 HD21 LEU 10 -5.763 4.978 -1.226 103 HD22 LEU 10 HD22 LEU 10 -7.358 4.619 -1.886 104 HD23 LEU 10 HD23 LEU 10 -6.321 5.803 -2.682 105 H ALA 11 H ALA 11 -4.521 -1.158 -3.209 106 HA ALA 11 HA ALA 11 -5.104 -2.140 -0.590 107 HB1 ALA 11 HB1 ALA 11 -4.414 -4.315 -1.465 108 HB2 ALA 11 HB2 ALA 11 -3.772 -3.537 -2.913 109 HB3 ALA 11 HB3 ALA 11 -5.505 -3.499 -2.587 110 H LEU 12 H LEU 12 -2.096 -2.128 -2.511 111 HA LEU 12 HA LEU 12 -0.610 -1.818 0.007 112 HB2 LEU 12 HB2 LEU 12 -0.437 -4.153 -0.739 113 HB3 LEU 12 HB3 LEU 12 0.165 -3.610 -2.294 114 HG LEU 12 HG LEU 12 2.160 -2.670 -1.185 115 HD11 LEU 12 HD11 LEU 12 2.623 -3.203 1.147 116 HD12 LEU 12 HD12 LEU 12 1.041 -3.965 1.299 117 HD13 LEU 12 HD13 LEU 12 1.158 -2.230 1.008 118 HD21 LEU 12 HD21 LEU 12 2.211 -4.931 -2.108 119 HD22 LEU 12 HD22 LEU 12 1.643 -5.575 -0.568 120 HD23 LEU 12 HD23 LEU 12 3.225 -4.803 -0.670 121 H LEU 13 H LEU 13 -0.388 0.370 -0.363 122 HA LEU 13 HA LEU 13 0.971 1.262 -2.783 123 HB2 LEU 13 HB2 LEU 13 0.024 2.830 -0.381 124 HB3 LEU 13 HB3 LEU 13 0.639 3.515 -1.872 125 HG LEU 13 HG LEU 13 -1.897 1.890 -1.633 126 HD11 LEU 13 HD11 LEU 13 -2.081 4.062 -0.540 127 HD12 LEU 13 HD12 LEU 13 -3.033 4.012 -2.024 128 HD13 LEU 13 HD13 LEU 13 -1.482 4.851 -1.997 129 HD21 LEU 13 HD21 LEU 13 -0.844 1.658 -3.816 130 HD22 LEU 13 HD22 LEU 13 -0.711 3.410 -3.952 131 HD23 LEU 13 HD23 LEU 13 -2.301 2.647 -3.930 132 H TRP 14 H TRP 14 1.765 0.102 0.236 133 HA TRP 14 HA TRP 14 4.059 1.819 0.687 134 HB2 TRP 14 HB2 TRP 14 3.049 -0.541 2.291 135 HB3 TRP 14 HB3 TRP 14 4.288 0.607 2.797 136 HD1 TRP 14 HD1 TRP 14 3.462 3.077 3.493 137 HE1 TRP 14 HE1 TRP 14 1.162 3.961 4.248 138 HE3 TRP 14 HE3 TRP 14 0.546 -0.835 1.952 139 HZ2 TRP 14 HZ2 TRP 14 -1.527 3.110 4.187 140 HZ3 TRP 14 HZ3 TRP 14 -1.882 -0.713 2.335 141 HH2 TRP 14 HH2 TRP 14 -2.895 1.217 3.430 142 H LYS 15 H LYS 15 4.196 0.307 -1.654 143 HA LYS 15 HA LYS 15 6.371 -1.576 -1.023 144 HB2 LYS 15 HB2 LYS 15 4.542 -2.617 -2.257 145 HB3 LYS 15 HB3 LYS 15 4.622 -1.365 -3.487 146 HG2 LYS 15 HG2 LYS 15 5.650 -3.374 -4.306 147 HG3 LYS 15 HG3 LYS 15 6.884 -2.135 -4.085 148 HD2 LYS 15 HD2 LYS 15 7.490 -3.152 -1.926 149 HD3 LYS 15 HD3 LYS 15 6.291 -4.416 -2.206 150 HE2 LYS 15 HE2 LYS 15 8.692 -3.836 -3.937 151 HE3 LYS 15 HE3 LYS 15 8.541 -5.170 -2.794 152 HZ1 LYS 15 HZ1 LYS 15 6.803 -4.758 -5.173 153 HZ2 LYS 15 HZ2 LYS 15 6.743 -6.073 -4.101 154 HZ3 LYS 15 HZ3 LYS 15 8.101 -5.846 -5.091 155 H ALA 16 H ALA 16 5.414 1.254 -2.810 156 HA ALA 16 HA ALA 16 7.621 1.461 -4.534 157 HB1 ALA 16 HB1 ALA 16 5.838 3.640 -3.466 158 HB2 ALA 16 HB2 ALA 16 5.538 2.663 -4.902 159 HB3 ALA 16 HB3 ALA 16 6.910 3.771 -4.860 160 H LEU 17 H LEU 17 7.023 2.871 -1.332 161 HA LEU 17 HA LEU 17 9.616 4.166 -1.317 162 HB2 LEU 17 HB2 LEU 17 8.967 5.227 0.658 163 HB3 LEU 17 HB3 LEU 17 7.478 5.099 -0.256 164 HG LEU 17 HG LEU 17 8.265 3.230 1.988 165 HD11 LEU 17 HD11 LEU 17 6.342 5.545 1.987 166 HD12 LEU 17 HD12 LEU 17 7.895 5.481 2.823 167 HD13 LEU 17 HD13 LEU 17 6.586 4.402 3.308 168 HD21 LEU 17 HD21 LEU 17 6.737 2.215 0.374 169 HD22 LEU 17 HD22 LEU 17 5.644 3.590 0.541 170 HD23 LEU 17 HD23 LEU 17 5.932 2.521 1.913 171 H ALA 18 H ALA 18 8.575 1.073 -0.702 172 HA ALA 18 HA ALA 18 10.080 0.617 1.718 173 HB1 ALA 18 HB1 ALA 18 9.281 -1.669 1.567 174 HB2 ALA 18 HB2 ALA 18 8.662 -1.363 -0.055 175 HB3 ALA 18 HB3 ALA 18 7.951 -0.535 1.330 176 H LEU 19 H LEU 19 10.513 0.182 -1.704 177 HA LEU 19 HA LEU 19 12.421 -1.838 -1.734 178 HB2 LEU 19 HB2 LEU 19 11.279 -0.987 -3.737 179 HB3 LEU 19 HB3 LEU 19 12.190 0.507 -3.619 180 HG LEU 19 HG LEU 19 14.281 -0.749 -4.002 181 HD11 LEU 19 HD11 LEU 19 13.581 -2.899 -3.079 182 HD12 LEU 19 HD12 LEU 19 14.181 -3.076 -4.727 183 HD13 LEU 19 HD13 LEU 19 12.446 -3.108 -4.413 184 HD21 LEU 19 HD21 LEU 19 13.898 -1.230 -6.359 185 HD22 LEU 19 HD22 LEU 19 13.088 0.261 -5.877 186 HD23 LEU 19 HD23 LEU 19 12.155 -1.221 -6.085 187 H LYS 20 H LYS 20 13.133 1.660 -2.080 188 HA LYS 20 HA LYS 20 15.890 1.097 -1.346 189 HB2 LYS 20 HB2 LYS 20 15.110 2.697 -3.231 190 HB3 LYS 20 HB3 LYS 20 14.795 3.836 -1.927 191 HG2 LYS 20 HG2 LYS 20 17.130 3.681 -1.225 192 HG3 LYS 20 HG3 LYS 20 17.446 2.538 -2.528 193 HD2 LYS 20 HD2 LYS 20 16.730 4.304 -4.144 194 HD3 LYS 20 HD3 LYS 20 16.640 5.430 -2.788 195 HE2 LYS 20 HE2 LYS 20 18.763 5.693 -3.897 196 HE3 LYS 20 HE3 LYS 20 19.022 4.980 -2.306 197 HZ1 LYS 20 HZ1 LYS 20 20.365 3.838 -3.902 198 HZ2 LYS 20 HZ2 LYS 20 19.033 3.558 -4.913 199 HZ3 LYS 20 HZ3 LYS 20 19.130 2.784 -3.413 200 H LEU 21 H LEU 21 13.748 0.810 0.591 201 HA LEU 21 HA LEU 21 14.739 2.711 2.607 202 HB2 LEU 21 HB2 LEU 21 12.293 2.727 2.308 203 HB3 LEU 21 HB3 LEU 21 12.239 1.008 2.646 204 HG LEU 21 HG LEU 21 13.003 1.420 4.937 205 HD11 LEU 21 HD11 LEU 21 14.338 3.424 4.518 206 HD12 LEU 21 HD12 LEU 21 13.158 3.694 5.801 207 HD13 LEU 21 HD13 LEU 21 12.868 4.338 4.184 208 HD21 LEU 21 HD21 LEU 21 10.609 1.381 4.468 209 HD22 LEU 21 HD22 LEU 21 10.639 3.113 4.136 210 HD23 LEU 21 HD23 LEU 21 10.983 2.522 5.761 211 H LYS 22 H LYS 22 13.776 -0.672 2.121 212 HA LYS 22 HA LYS 22 15.422 -1.561 4.331 213 HB2 LYS 22 HB2 LYS 22 14.700 -3.823 3.656 214 HB3 LYS 22 HB3 LYS 22 13.335 -2.736 3.873 215 HG2 LYS 22 HG2 LYS 22 13.266 -2.416 1.414 216 HG3 LYS 22 HG3 LYS 22 14.542 -3.625 1.261 217 HD2 LYS 22 HD2 LYS 22 12.339 -4.607 0.872 218 HD3 LYS 22 HD3 LYS 22 13.098 -5.291 2.311 219 HE2 LYS 22 HE2 LYS 22 11.762 -3.849 3.734 220 HE3 LYS 22 HE3 LYS 22 11.044 -3.083 2.317 221 HZ1 LYS 22 HZ1 LYS 22 10.802 -5.988 2.848 222 HZ2 LYS 22 HZ2 LYS 22 9.894 -5.042 1.770 223 HZ3 LYS 22 HZ3 LYS 22 9.689 -4.856 3.442 224 H LYS 23 H LYS 23 15.576 -1.367 0.846 225 HA LYS 23 HA LYS 23 18.237 -2.598 0.882 226 HB2 LYS 23 HB2 LYS 23 16.544 -3.586 -0.651 227 HB3 LYS 23 HB3 LYS 23 16.412 -2.034 -1.463 228 HG2 LYS 23 HG2 LYS 23 18.772 -2.184 -2.114 229 HG3 LYS 23 HG3 LYS 23 18.870 -3.769 -1.340 230 HD2 LYS 23 HD2 LYS 23 17.183 -4.635 -2.860 231 HD3 LYS 23 HD3 LYS 23 17.006 -3.042 -3.596 232 HE2 LYS 23 HE2 LYS 23 19.334 -3.125 -4.339 233 HE3 LYS 23 HE3 LYS 23 19.513 -4.719 -3.608 234 HZ1 LYS 23 HZ1 LYS 23 17.829 -5.564 -5.119 235 HZ2 LYS 23 HZ2 LYS 23 19.113 -4.868 -5.979 236 HZ3 LYS 23 HZ3 LYS 23 17.651 -4.027 -5.818 237 H ALA 24 H ALA 24 18.796 -0.479 1.929 238 HA ALA 24 HA ALA 24 19.813 1.321 -0.119 239 HB1 ALA 24 HB1 ALA 24 17.694 2.341 0.548 240 HB2 ALA 24 HB2 ALA 24 19.063 3.314 1.081 241 HB3 ALA 24 HB3 ALA 24 18.202 2.302 2.239 Start of MODEL 5 1 H1 LYS 1 H1 LYS 1 -4.201 13.285 13.016 2 H2 LYS 1 H2 LYS 1 -5.409 13.607 14.166 3 H3 LYS 1 H3 LYS 1 -3.774 13.606 14.625 4 HA LYS 1 HA LYS 1 -4.790 15.838 14.371 5 HB2 LYS 1 HB2 LYS 1 -2.422 15.060 12.654 6 HB3 LYS 1 HB3 LYS 1 -2.864 16.727 13.006 7 HG2 LYS 1 HG2 LYS 1 -2.591 16.278 15.403 8 HG3 LYS 1 HG3 LYS 1 -2.100 14.629 15.024 9 HD2 LYS 1 HD2 LYS 1 -0.676 17.096 14.038 10 HD3 LYS 1 HD3 LYS 1 -0.205 16.185 15.472 11 HE2 LYS 1 HE2 LYS 1 0.057 14.176 14.030 12 HE3 LYS 1 HE3 LYS 1 -0.263 15.196 12.629 13 HZ1 LYS 1 HZ1 LYS 1 1.992 15.506 14.537 14 HZ2 LYS 1 HZ2 LYS 1 1.671 16.540 13.232 15 HZ3 LYS 1 HZ3 LYS 1 2.100 14.922 12.945 16 H LYS 2 H LYS 2 -4.136 17.243 11.893 17 HA LYS 2 HA LYS 2 -6.649 16.978 10.655 18 HB2 LYS 2 HB2 LYS 2 -5.781 18.664 9.054 19 HB3 LYS 2 HB3 LYS 2 -5.638 19.137 10.735 20 HG2 LYS 2 HG2 LYS 2 -3.280 18.676 10.725 21 HG3 LYS 2 HG3 LYS 2 -3.383 18.010 9.093 22 HD2 LYS 2 HD2 LYS 2 -2.521 20.346 9.169 23 HD3 LYS 2 HD3 LYS 2 -3.974 20.152 8.185 24 HE2 LYS 2 HE2 LYS 2 -5.311 20.915 10.159 25 HE3 LYS 2 HE3 LYS 2 -3.793 21.271 10.981 26 HZ1 LYS 2 HZ1 LYS 2 -3.265 22.903 9.347 27 HZ2 LYS 2 HZ2 LYS 2 -4.843 23.212 9.876 28 HZ3 LYS 2 HZ3 LYS 2 -4.584 22.462 8.377 29 H LEU 3 H LEU 3 -6.408 17.204 8.093 30 HA LEU 3 HA LEU 3 -5.885 14.428 7.395 31 HB2 LEU 3 HB2 LEU 3 -7.386 16.577 5.905 32 HB3 LEU 3 HB3 LEU 3 -7.305 14.887 5.444 33 HG LEU 3 HG LEU 3 -8.539 15.924 7.996 34 HD11 LEU 3 HD11 LEU 3 -9.824 14.951 5.450 35 HD12 LEU 3 HD12 LEU 3 -9.840 16.602 6.071 36 HD13 LEU 3 HD13 LEU 3 -10.673 15.321 6.951 37 HD21 LEU 3 HD21 LEU 3 -9.429 13.641 8.189 38 HD22 LEU 3 HD22 LEU 3 -7.668 13.680 8.252 39 HD23 LEU 3 HD23 LEU 3 -8.484 13.166 6.776 40 H LYS 4 H LYS 4 -3.774 14.206 6.857 41 HA LYS 4 HA LYS 4 -3.018 15.256 4.272 42 HB2 LYS 4 HB2 LYS 4 -2.242 16.974 5.969 43 HB3 LYS 4 HB3 LYS 4 -1.169 15.742 6.618 44 HG2 LYS 4 HG2 LYS 4 -0.061 15.579 4.431 45 HG3 LYS 4 HG3 LYS 4 -1.111 16.856 3.821 46 HD2 LYS 4 HD2 LYS 4 -0.190 18.411 5.453 47 HD3 LYS 4 HD3 LYS 4 0.824 17.130 6.121 48 HE2 LYS 4 HE2 LYS 4 2.142 18.505 4.636 49 HE3 LYS 4 HE3 LYS 4 1.934 16.905 3.929 50 HZ1 LYS 4 HZ1 LYS 4 0.583 19.426 3.151 51 HZ2 LYS 4 HZ2 LYS 4 0.032 17.908 2.639 52 HZ3 LYS 4 HZ3 LYS 4 1.583 18.438 2.200 53 H LEU 5 H LEU 5 -3.598 12.680 5.683 54 HA LEU 5 HA LEU 5 -1.327 11.225 4.636 55 HB2 LEU 5 HB2 LEU 5 -0.635 11.699 6.944 56 HB3 LEU 5 HB3 LEU 5 -2.109 10.963 7.541 57 HG LEU 5 HG LEU 5 -1.382 8.792 6.617 58 HD11 LEU 5 HD11 LEU 5 0.004 9.605 4.788 59 HD12 LEU 5 HD12 LEU 5 0.927 8.536 5.846 60 HD13 LEU 5 HD13 LEU 5 1.151 10.282 5.944 61 HD21 LEU 5 HD21 LEU 5 0.611 10.133 8.435 62 HD22 LEU 5 HD22 LEU 5 0.415 8.393 8.233 63 HD23 LEU 5 HD23 LEU 5 -0.890 9.352 8.933 64 H ALA 6 H ALA 6 -2.352 9.907 3.310 65 HA ALA 6 HA ALA 6 -4.425 8.156 4.438 66 HB1 ALA 6 HB1 ALA 6 -5.476 9.812 2.939 67 HB2 ALA 6 HB2 ALA 6 -5.625 8.165 2.330 68 HB3 ALA 6 HB3 ALA 6 -4.433 9.259 1.628 69 HA PRO 7 HA PRO 7 -0.783 5.728 3.060 70 HB2 PRO 7 HB2 PRO 7 -1.415 3.551 4.618 71 HB3 PRO 7 HB3 PRO 7 -0.456 4.930 5.171 72 HG2 PRO 7 HG2 PRO 7 -3.362 4.350 5.580 73 HG3 PRO 7 HG3 PRO 7 -2.179 5.005 6.727 74 HD2 PRO 7 HD2 PRO 7 -3.961 6.578 5.480 75 HD3 PRO 7 HD3 PRO 7 -2.316 7.137 5.838 76 H ALA 8 H ALA 8 -4.152 4.702 3.247 77 HA ALA 8 HA ALA 8 -3.725 2.392 1.580 78 HB1 ALA 8 HB1 ALA 8 -5.388 2.364 3.368 79 HB2 ALA 8 HB2 ALA 8 -6.127 2.047 1.798 80 HB3 ALA 8 HB3 ALA 8 -6.296 3.634 2.549 81 H LYS 9 H LYS 9 -3.225 5.199 0.548 82 HA LYS 9 HA LYS 9 -4.395 4.699 -2.044 83 HB2 LYS 9 HB2 LYS 9 -6.106 6.107 -0.920 84 HB3 LYS 9 HB3 LYS 9 -4.889 7.354 -0.681 85 HG2 LYS 9 HG2 LYS 9 -4.642 7.601 -3.083 86 HG3 LYS 9 HG3 LYS 9 -5.820 6.316 -3.351 87 HD2 LYS 9 HD2 LYS 9 -7.527 7.669 -2.221 88 HD3 LYS 9 HD3 LYS 9 -6.341 8.955 -1.985 89 HE2 LYS 9 HE2 LYS 9 -6.094 9.175 -4.404 90 HE3 LYS 9 HE3 LYS 9 -7.263 7.878 -4.650 91 HZ1 LYS 9 HZ1 LYS 9 -7.833 10.463 -3.307 92 HZ2 LYS 9 HZ2 LYS 9 -8.956 9.231 -3.620 93 HZ3 LYS 9 HZ3 LYS 9 -8.250 10.085 -4.907 94 H LEU 10 H LEU 10 -2.480 6.924 -0.046 95 HA LEU 10 HA LEU 10 -0.983 7.992 -2.206 96 HB2 LEU 10 HB2 LEU 10 -0.330 7.836 0.739 97 HB3 LEU 10 HB3 LEU 10 0.572 8.779 -0.433 98 HG LEU 10 HG LEU 10 -2.330 9.214 0.293 99 HD11 LEU 10 HD11 LEU 10 -0.830 9.808 2.116 100 HD12 LEU 10 HD12 LEU 10 -1.531 11.249 1.382 101 HD13 LEU 10 HD13 LEU 10 0.134 10.796 1.018 102 HD21 LEU 10 HD21 LEU 10 -2.114 11.273 -1.014 103 HD22 LEU 10 HD22 LEU 10 -1.844 9.845 -2.013 104 HD23 LEU 10 HD23 LEU 10 -0.473 10.813 -1.470 105 H ALA 11 H ALA 11 -0.191 5.506 0.221 106 HA ALA 11 HA ALA 11 1.814 4.472 -1.665 107 HB1 ALA 11 HB1 ALA 11 2.966 5.686 0.108 108 HB2 ALA 11 HB2 ALA 11 3.294 3.955 0.210 109 HB3 ALA 11 HB3 ALA 11 2.149 4.705 1.323 110 H LEU 12 H LEU 12 0.087 3.070 -2.281 111 HA LEU 12 HA LEU 12 -1.703 1.705 -0.778 112 HB2 LEU 12 HB2 LEU 12 -0.330 0.692 -3.265 113 HB3 LEU 12 HB3 LEU 12 -1.837 0.072 -2.621 114 HG LEU 12 HG LEU 12 -1.445 2.912 -3.568 115 HD11 LEU 12 HD11 LEU 12 -1.216 1.344 -5.422 116 HD12 LEU 12 HD12 LEU 12 -2.728 2.244 -5.536 117 HD13 LEU 12 HD13 LEU 12 -2.736 0.574 -4.970 118 HD21 LEU 12 HD21 LEU 12 -3.940 1.359 -2.884 119 HD22 LEU 12 HD22 LEU 12 -3.874 3.018 -3.476 120 HD23 LEU 12 HD23 LEU 12 -3.209 2.622 -1.892 121 H LEU 13 H LEU 13 1.403 0.303 -1.828 122 HA LEU 13 HA LEU 13 1.290 -1.452 0.534 123 HB2 LEU 13 HB2 LEU 13 2.249 -2.169 -2.244 124 HB3 LEU 13 HB3 LEU 13 2.475 -3.177 -0.828 125 HG LEU 13 HG LEU 13 -0.194 -2.404 -2.018 126 HD11 LEU 13 HD11 LEU 13 1.036 -3.943 -3.438 127 HD12 LEU 13 HD12 LEU 13 -0.326 -4.757 -2.669 128 HD13 LEU 13 HD13 LEU 13 1.311 -5.015 -2.064 129 HD21 LEU 13 HD21 LEU 13 -1.121 -4.024 -0.444 130 HD22 LEU 13 HD22 LEU 13 -0.306 -2.709 0.402 131 HD23 LEU 13 HD23 LEU 13 0.480 -4.282 0.248 132 H TRP 14 H TRP 14 2.561 1.169 -0.250 133 HA TRP 14 HA TRP 14 4.528 2.305 -0.080 134 HB2 TRP 14 HB2 TRP 14 5.204 0.032 1.801 135 HB3 TRP 14 HB3 TRP 14 6.022 1.588 1.739 136 HD1 TRP 14 HD1 TRP 14 4.587 3.745 2.622 137 HE1 TRP 14 HE1 TRP 14 2.666 3.881 4.341 138 HE3 TRP 14 HE3 TRP 14 3.245 -1.190 2.731 139 HZ2 TRP 14 HZ2 TRP 14 0.836 2.118 5.576 140 HZ3 TRP 14 HZ3 TRP 14 1.404 -1.881 4.206 141 HH2 TRP 14 HH2 TRP 14 0.225 -0.259 5.599 142 H LYS 15 H LYS 15 4.413 0.469 -2.290 143 HA LYS 15 HA LYS 15 6.705 -1.188 -2.392 144 HB2 LYS 15 HB2 LYS 15 4.875 -0.106 -4.518 145 HB3 LYS 15 HB3 LYS 15 6.245 -1.136 -4.910 146 HG2 LYS 15 HG2 LYS 15 3.988 -1.880 -3.061 147 HG3 LYS 15 HG3 LYS 15 4.138 -2.381 -4.749 148 HD2 LYS 15 HD2 LYS 15 6.281 -3.477 -4.193 149 HD3 LYS 15 HD3 LYS 15 6.045 -3.038 -2.499 150 HE2 LYS 15 HE2 LYS 15 4.032 -4.377 -2.400 151 HE3 LYS 15 HE3 LYS 15 4.157 -4.737 -4.121 152 HZ1 LYS 15 HZ1 LYS 15 4.993 -6.587 -2.916 153 HZ2 LYS 15 HZ2 LYS 15 6.012 -5.611 -1.976 154 HZ3 LYS 15 HZ3 LYS 15 6.317 -5.813 -3.635 155 H ALA 16 H ALA 16 6.228 2.177 -3.167 156 HA ALA 16 HA ALA 16 8.867 2.335 -4.397 157 HB1 ALA 16 HB1 ALA 16 6.802 4.497 -3.992 158 HB2 ALA 16 HB2 ALA 16 7.024 3.550 -5.463 159 HB3 ALA 16 HB3 ALA 16 8.293 4.648 -4.922 160 H LEU 17 H LEU 17 7.674 2.345 -1.347 161 HA LEU 17 HA LEU 17 9.630 4.323 -0.378 162 HB2 LEU 17 HB2 LEU 17 7.060 3.351 0.879 163 HB3 LEU 17 HB3 LEU 17 8.247 4.312 1.735 164 HG LEU 17 HG LEU 17 6.557 5.810 1.075 165 HD11 LEU 17 HD11 LEU 17 7.671 7.317 -0.491 166 HD12 LEU 17 HD12 LEU 17 8.805 6.033 -0.911 167 HD13 LEU 17 HD13 LEU 17 8.778 6.685 0.728 168 HD21 LEU 17 HD21 LEU 17 5.430 4.407 -0.561 169 HD22 LEU 17 HD22 LEU 17 6.742 4.673 -1.710 170 HD23 LEU 17 HD23 LEU 17 5.722 6.022 -1.209 171 H ALA 18 H ALA 18 8.059 1.281 0.606 172 HA ALA 18 HA ALA 18 10.144 0.782 2.545 173 HB1 ALA 18 HB1 ALA 18 8.805 -1.170 3.158 174 HB2 ALA 18 HB2 ALA 18 7.745 -0.874 1.779 175 HB3 ALA 18 HB3 ALA 18 7.826 0.296 3.096 176 H LEU 19 H LEU 19 10.369 0.550 -0.583 177 HA LEU 19 HA LEU 19 11.778 -2.032 -0.513 178 HB2 LEU 19 HB2 LEU 19 10.034 -1.789 -2.258 179 HB3 LEU 19 HB3 LEU 19 10.907 -0.415 -2.912 180 HG LEU 19 HG LEU 19 12.816 -1.881 -3.437 181 HD11 LEU 19 HD11 LEU 19 11.015 -4.102 -2.479 182 HD12 LEU 19 HD12 LEU 19 12.489 -3.550 -1.686 183 HD13 LEU 19 HD13 LEU 19 12.574 -4.304 -3.278 184 HD21 LEU 19 HD21 LEU 19 10.180 -2.841 -4.537 185 HD22 LEU 19 HD22 LEU 19 11.763 -3.095 -5.271 186 HD23 LEU 19 HD23 LEU 19 11.113 -1.463 -5.121 187 H LYS 20 H LYS 20 12.054 1.222 -1.935 188 HA LYS 20 HA LYS 20 14.851 1.026 -2.363 189 HB2 LYS 20 HB2 LYS 20 13.101 3.489 -2.200 190 HB3 LYS 20 HB3 LYS 20 14.733 3.433 -2.850 191 HG2 LYS 20 HG2 LYS 20 13.982 1.924 -4.616 192 HG3 LYS 20 HG3 LYS 20 12.342 1.982 -3.966 193 HD2 LYS 20 HD2 LYS 20 12.541 3.498 -5.843 194 HD3 LYS 20 HD3 LYS 20 12.300 4.414 -4.355 195 HE2 LYS 20 HE2 LYS 20 13.997 5.474 -5.714 196 HE3 LYS 20 HE3 LYS 20 14.729 4.828 -4.247 197 HZ1 LYS 20 HZ1 LYS 20 16.103 4.334 -6.150 198 HZ2 LYS 20 HZ2 LYS 20 14.810 3.587 -6.950 199 HZ3 LYS 20 HZ3 LYS 20 15.456 2.887 -5.546 200 H LEU 21 H LEU 21 12.871 2.179 0.292 201 HA LEU 21 HA LEU 21 15.222 3.205 1.687 202 HB2 LEU 21 HB2 LEU 21 12.346 3.199 2.595 203 HB3 LEU 21 HB3 LEU 21 13.669 4.094 3.313 204 HG LEU 21 HG LEU 21 12.510 4.581 0.567 205 HD11 LEU 21 HD11 LEU 21 11.681 6.664 1.531 206 HD12 LEU 21 HD12 LEU 21 12.312 6.191 3.108 207 HD13 LEU 21 HD13 LEU 21 11.010 5.263 2.365 208 HD21 LEU 21 HD21 LEU 21 14.891 5.090 0.641 209 HD22 LEU 21 HD22 LEU 21 14.648 6.068 2.088 210 HD23 LEU 21 HD23 LEU 21 13.939 6.572 0.555 211 H LYS 22 H LYS 22 14.470 0.281 1.162 212 HA LYS 22 HA LYS 22 14.965 -0.602 3.925 213 HB2 LYS 22 HB2 LYS 22 12.624 -1.118 3.308 214 HB3 LYS 22 HB3 LYS 22 13.204 -2.042 1.928 215 HG2 LYS 22 HG2 LYS 22 14.409 -3.534 3.523 216 HG3 LYS 22 HG3 LYS 22 13.630 -2.667 4.846 217 HD2 LYS 22 HD2 LYS 22 12.187 -4.134 2.638 218 HD3 LYS 22 HD3 LYS 22 12.465 -4.763 4.262 219 HE2 LYS 22 HE2 LYS 22 11.140 -2.964 5.212 220 HE3 LYS 22 HE3 LYS 22 10.918 -2.254 3.613 221 HZ1 LYS 22 HZ1 LYS 22 9.893 -4.886 4.535 222 HZ2 LYS 22 HZ2 LYS 22 9.769 -4.311 2.945 223 HZ3 LYS 22 HZ3 LYS 22 8.970 -3.501 4.204 224 H LYS 23 H LYS 23 15.394 -1.067 0.504 225 HA LYS 23 HA LYS 23 17.106 -1.885 -0.714 226 HB2 LYS 23 HB2 LYS 23 18.432 -2.444 1.945 227 HB3 LYS 23 HB3 LYS 23 19.200 -2.663 0.378 228 HG2 LYS 23 HG2 LYS 23 18.946 -0.273 -0.079 229 HG3 LYS 23 HG3 LYS 23 18.180 -0.057 1.495 230 HD2 LYS 23 HD2 LYS 23 20.234 -0.832 2.596 231 HD3 LYS 23 HD3 LYS 23 20.995 -1.038 1.019 232 HE2 LYS 23 HE2 LYS 23 19.968 1.566 2.137 233 HE3 LYS 23 HE3 LYS 23 21.658 1.064 2.110 234 HZ1 LYS 23 HZ1 LYS 23 21.540 0.994 -0.315 235 HZ2 LYS 23 HZ2 LYS 23 21.184 2.538 0.283 236 HZ3 LYS 23 HZ3 LYS 23 19.931 1.535 -0.264 237 H ALA 24 H ALA 24 16.703 -3.988 2.127 238 HA ALA 24 HA ALA 24 16.114 -6.153 2.367 239 HB1 ALA 24 HB1 ALA 24 14.134 -5.499 1.085 240 HB2 ALA 24 HB2 ALA 24 14.607 -7.165 0.752 241 HB3 ALA 24 HB3 ALA 24 14.973 -5.894 -0.415 Start of MODEL 6 1 H1 LYS 1 H1 LYS 1 -20.628 9.213 8.664 2 H2 LYS 1 H2 LYS 1 -19.141 8.455 8.976 3 H3 LYS 1 H3 LYS 1 -19.280 9.555 7.690 4 HA LYS 1 HA LYS 1 -19.743 11.339 9.258 5 HB2 LYS 1 HB2 LYS 1 -19.142 9.168 11.283 6 HB3 LYS 1 HB3 LYS 1 -19.232 10.881 11.666 7 HG2 LYS 1 HG2 LYS 1 -21.503 9.265 10.527 8 HG3 LYS 1 HG3 LYS 1 -21.279 9.620 12.240 9 HD2 LYS 1 HD2 LYS 1 -21.404 11.816 10.200 10 HD3 LYS 1 HD3 LYS 1 -22.874 11.106 10.862 11 HE2 LYS 1 HE2 LYS 1 -22.360 13.061 12.133 12 HE3 LYS 1 HE3 LYS 1 -22.045 11.657 13.143 13 HZ1 LYS 1 HZ1 LYS 1 -19.711 11.905 12.807 14 HZ2 LYS 1 HZ2 LYS 1 -20.327 13.415 13.274 15 HZ3 LYS 1 HZ3 LYS 1 -19.938 13.126 11.649 16 H LYS 2 H LYS 2 -17.985 11.734 7.774 17 HA LYS 2 HA LYS 2 -15.838 12.175 7.186 18 HB2 LYS 2 HB2 LYS 2 -15.429 12.166 10.184 19 HB3 LYS 2 HB3 LYS 2 -14.285 12.805 9.011 20 HG2 LYS 2 HG2 LYS 2 -15.911 14.473 8.306 21 HG3 LYS 2 HG3 LYS 2 -17.086 13.822 9.449 22 HD2 LYS 2 HD2 LYS 2 -15.604 14.388 11.302 23 HD3 LYS 2 HD3 LYS 2 -14.417 15.024 10.161 24 HE2 LYS 2 HE2 LYS 2 -17.213 16.075 10.584 25 HE3 LYS 2 HE3 LYS 2 -15.726 16.833 11.148 26 HZ1 LYS 2 HZ1 LYS 2 -16.580 16.450 8.326 27 HZ2 LYS 2 HZ2 LYS 2 -15.037 16.993 8.780 28 HZ3 LYS 2 HZ3 LYS 2 -16.405 17.922 9.155 29 H LEU 3 H LEU 3 -16.537 9.563 6.993 30 HA LEU 3 HA LEU 3 -14.477 7.915 8.198 31 HB2 LEU 3 HB2 LEU 3 -16.828 7.141 8.043 32 HB3 LEU 3 HB3 LEU 3 -16.706 7.188 6.295 33 HG LEU 3 HG LEU 3 -14.923 5.457 6.411 34 HD11 LEU 3 HD11 LEU 3 -14.643 4.202 8.502 35 HD12 LEU 3 HD12 LEU 3 -15.663 5.379 9.333 36 HD13 LEU 3 HD13 LEU 3 -14.110 5.877 8.655 37 HD21 LEU 3 HD21 LEU 3 -17.537 4.700 7.708 38 HD22 LEU 3 HD22 LEU 3 -16.418 3.598 6.903 39 HD23 LEU 3 HD23 LEU 3 -17.246 4.848 5.976 40 H LYS 4 H LYS 4 -12.562 7.873 7.273 41 HA LYS 4 HA LYS 4 -12.352 8.183 4.355 42 HB2 LYS 4 HB2 LYS 4 -10.165 8.356 6.440 43 HB3 LYS 4 HB3 LYS 4 -10.036 8.798 4.742 44 HG2 LYS 4 HG2 LYS 4 -11.575 10.627 5.053 45 HG3 LYS 4 HG3 LYS 4 -11.850 10.148 6.730 46 HD2 LYS 4 HD2 LYS 4 -9.413 10.523 7.144 47 HD3 LYS 4 HD3 LYS 4 -9.294 11.188 5.513 48 HE2 LYS 4 HE2 LYS 4 -11.054 12.234 7.730 49 HE3 LYS 4 HE3 LYS 4 -9.534 12.949 7.202 50 HZ1 LYS 4 HZ1 LYS 4 -11.994 12.671 5.555 51 HZ2 LYS 4 HZ2 LYS 4 -10.522 13.315 5.017 52 HZ3 LYS 4 HZ3 LYS 4 -11.401 14.109 6.235 53 H LEU 5 H LEU 5 -13.289 5.760 5.311 54 HA LEU 5 HA LEU 5 -11.043 3.927 5.488 55 HB2 LEU 5 HB2 LEU 5 -13.318 3.901 6.828 56 HB3 LEU 5 HB3 LEU 5 -13.893 3.033 5.421 57 HG LEU 5 HG LEU 5 -11.531 2.144 7.084 58 HD11 LEU 5 HD11 LEU 5 -13.560 2.143 8.435 59 HD12 LEU 5 HD12 LEU 5 -13.048 0.499 8.058 60 HD13 LEU 5 HD13 LEU 5 -14.399 1.223 7.185 61 HD21 LEU 5 HD21 LEU 5 -13.192 0.695 5.023 62 HD22 LEU 5 HD22 LEU 5 -11.870 0.000 5.964 63 HD23 LEU 5 HD23 LEU 5 -11.543 1.281 4.794 64 H ALA 6 H ALA 6 -10.371 4.461 3.299 65 HA ALA 6 HA ALA 6 -11.391 2.419 1.503 66 HB1 ALA 6 HB1 ALA 6 -11.572 3.937 -0.409 67 HB2 ALA 6 HB2 ALA 6 -11.206 5.309 0.640 68 HB3 ALA 6 HB3 ALA 6 -12.696 4.394 0.872 69 HA PRO 7 HA PRO 7 -6.771 3.254 1.962 70 HB2 PRO 7 HB2 PRO 7 -6.058 0.664 2.451 71 HB3 PRO 7 HB3 PRO 7 -6.515 1.810 3.715 72 HG2 PRO 7 HG2 PRO 7 -8.164 -0.310 2.396 73 HG3 PRO 7 HG3 PRO 7 -8.077 0.130 4.113 74 HD2 PRO 7 HD2 PRO 7 -10.101 0.943 2.541 75 HD3 PRO 7 HD3 PRO 7 -9.456 1.964 3.842 76 H ALA 8 H ALA 8 -8.594 0.886 0.171 77 HA ALA 8 HA ALA 8 -6.581 -0.169 -1.462 78 HB1 ALA 8 HB1 ALA 8 -9.501 0.167 -2.128 79 HB2 ALA 8 HB2 ALA 8 -8.805 -1.166 -1.207 80 HB3 ALA 8 HB3 ALA 8 -8.369 -0.944 -2.900 81 H LYS 9 H LYS 9 -8.190 2.885 -1.582 82 HA LYS 9 HA LYS 9 -6.653 3.505 -4.004 83 HB2 LYS 9 HB2 LYS 9 -8.477 4.892 -4.850 84 HB3 LYS 9 HB3 LYS 9 -8.992 3.221 -4.670 85 HG2 LYS 9 HG2 LYS 9 -10.209 3.754 -2.667 86 HG3 LYS 9 HG3 LYS 9 -9.575 5.400 -2.676 87 HD2 LYS 9 HD2 LYS 9 -11.420 4.165 -4.720 88 HD3 LYS 9 HD3 LYS 9 -11.832 5.408 -3.537 89 HE2 LYS 9 HE2 LYS 9 -9.883 5.681 -5.826 90 HE3 LYS 9 HE3 LYS 9 -11.487 6.407 -5.726 91 HZ1 LYS 9 HZ1 LYS 9 -9.249 6.993 -3.862 92 HZ2 LYS 9 HZ2 LYS 9 -10.764 7.752 -3.888 93 HZ3 LYS 9 HZ3 LYS 9 -9.682 7.965 -5.179 94 H LEU 10 H LEU 10 -6.043 3.914 -1.233 95 HA LEU 10 HA LEU 10 -5.837 6.843 -1.225 96 HB2 LEU 10 HB2 LEU 10 -7.637 6.169 0.326 97 HB3 LEU 10 HB3 LEU 10 -6.504 5.141 1.181 98 HG LEU 10 HG LEU 10 -5.187 7.159 1.787 99 HD11 LEU 10 HD11 LEU 10 -7.512 8.611 0.532 100 HD12 LEU 10 HD12 LEU 10 -5.841 8.621 -0.033 101 HD13 LEU 10 HD13 LEU 10 -6.255 9.358 1.515 102 HD21 LEU 10 HD21 LEU 10 -8.092 7.178 2.590 103 HD22 LEU 10 HD22 LEU 10 -6.781 7.981 3.455 104 HD23 LEU 10 HD23 LEU 10 -6.810 6.222 3.334 105 H ALA 11 H ALA 11 -4.708 3.810 0.230 106 HA ALA 11 HA ALA 11 -1.962 4.728 -0.032 107 HB1 ALA 11 HB1 ALA 11 -1.404 4.143 2.276 108 HB2 ALA 11 HB2 ALA 11 -3.103 3.792 2.599 109 HB3 ALA 11 HB3 ALA 11 -2.599 5.439 2.215 110 H LEU 12 H LEU 12 -2.429 3.045 -1.741 111 HA LEU 12 HA LEU 12 -2.185 0.319 -0.650 112 HB2 LEU 12 HB2 LEU 12 -4.149 0.802 -2.123 113 HB3 LEU 12 HB3 LEU 12 -3.036 1.166 -3.426 114 HG LEU 12 HG LEU 12 -2.177 -1.184 -3.258 115 HD11 LEU 12 HD11 LEU 12 -4.561 -1.532 -1.449 116 HD12 LEU 12 HD12 LEU 12 -2.867 -1.639 -0.968 117 HD13 LEU 12 HD13 LEU 12 -3.544 -2.825 -2.085 118 HD21 LEU 12 HD21 LEU 12 -5.111 -0.830 -3.862 119 HD22 LEU 12 HD22 LEU 12 -4.111 -2.184 -4.390 120 HD23 LEU 12 HD23 LEU 12 -3.772 -0.556 -4.977 121 H LEU 13 H LEU 13 -0.242 2.681 -1.590 122 HA LEU 13 HA LEU 13 1.509 0.929 -3.172 123 HB2 LEU 13 HB2 LEU 13 0.675 2.901 -4.410 124 HB3 LEU 13 HB3 LEU 13 1.408 3.947 -3.208 125 HG LEU 13 HG LEU 13 3.636 3.153 -3.843 126 HD11 LEU 13 HD11 LEU 13 3.924 1.730 -5.813 127 HD12 LEU 13 HD12 LEU 13 2.177 1.506 -5.900 128 HD13 LEU 13 HD13 LEU 13 3.076 0.890 -4.513 129 HD21 LEU 13 HD21 LEU 13 2.752 5.096 -4.987 130 HD22 LEU 13 HD22 LEU 13 1.958 4.064 -6.176 131 HD23 LEU 13 HD23 LEU 13 3.718 4.127 -6.099 132 H TRP 14 H TRP 14 2.063 0.199 -0.906 133 HA TRP 14 HA TRP 14 4.128 1.938 0.253 134 HB2 TRP 14 HB2 TRP 14 2.822 -0.580 1.300 135 HB3 TRP 14 HB3 TRP 14 4.154 0.244 2.104 136 HD1 TRP 14 HD1 TRP 14 0.445 0.235 1.896 137 HE1 TRP 14 HE1 TRP 14 -0.532 2.223 3.214 138 HE3 TRP 14 HE3 TRP 14 4.742 2.897 2.631 139 HZ2 TRP 14 HZ2 TRP 14 0.403 4.617 4.391 140 HZ3 TRP 14 HZ3 TRP 14 4.615 5.027 3.860 141 HH2 TRP 14 HH2 TRP 14 2.492 5.865 4.719 142 H LYS 15 H LYS 15 3.632 -0.687 -1.788 143 HA LYS 15 HA LYS 15 6.136 -2.017 -1.429 144 HB2 LYS 15 HB2 LYS 15 5.507 -3.122 -3.616 145 HB3 LYS 15 HB3 LYS 15 4.365 -3.322 -2.297 146 HG2 LYS 15 HG2 LYS 15 3.200 -1.245 -3.371 147 HG3 LYS 15 HG3 LYS 15 4.102 -1.737 -4.807 148 HD2 LYS 15 HD2 LYS 15 3.119 -3.966 -4.675 149 HD3 LYS 15 HD3 LYS 15 2.246 -3.502 -3.213 150 HE2 LYS 15 HE2 LYS 15 0.670 -3.323 -4.943 151 HE3 LYS 15 HE3 LYS 15 1.183 -1.668 -4.623 152 HZ1 LYS 15 HZ1 LYS 15 2.169 -3.399 -6.826 153 HZ2 LYS 15 HZ2 LYS 15 2.688 -1.811 -6.523 154 HZ3 LYS 15 HZ3 LYS 15 1.083 -2.107 -6.986 155 H ALA 16 H ALA 16 6.729 0.564 -1.562 156 HA ALA 16 HA ALA 16 8.553 0.670 -3.799 157 HB1 ALA 16 HB1 ALA 16 6.579 1.738 -4.776 158 HB2 ALA 16 HB2 ALA 16 7.866 2.914 -4.531 159 HB3 ALA 16 HB3 ALA 16 6.500 2.860 -3.419 160 H LEU 17 H LEU 17 7.099 2.527 -1.144 161 HA LEU 17 HA LEU 17 9.416 3.975 -0.454 162 HB2 LEU 17 HB2 LEU 17 6.967 3.236 1.149 163 HB3 LEU 17 HB3 LEU 17 8.243 4.259 1.775 164 HG LEU 17 HG LEU 17 6.494 5.695 1.068 165 HD11 LEU 17 HD11 LEU 17 7.554 6.998 -0.737 166 HD12 LEU 17 HD12 LEU 17 8.675 5.663 -1.008 167 HD13 LEU 17 HD13 LEU 17 8.684 6.523 0.532 168 HD21 LEU 17 HD21 LEU 17 5.280 4.143 -0.362 169 HD22 LEU 17 HD22 LEU 17 6.538 4.278 -1.592 170 HD23 LEU 17 HD23 LEU 17 5.550 5.680 -1.181 171 H ALA 18 H ALA 18 8.095 0.891 0.643 172 HA ALA 18 HA ALA 18 10.004 0.505 2.718 173 HB1 ALA 18 HB1 ALA 18 7.819 -0.584 2.735 174 HB2 ALA 18 HB2 ALA 18 9.125 -1.764 2.845 175 HB3 ALA 18 HB3 ALA 18 8.273 -1.529 1.318 176 H LEU 19 H LEU 19 10.154 0.127 -0.671 177 HA LEU 19 HA LEU 19 12.193 -1.895 -0.715 178 HB2 LEU 19 HB2 LEU 19 10.698 -1.568 -2.620 179 HB3 LEU 19 HB3 LEU 19 11.293 0.068 -2.823 180 HG LEU 19 HG LEU 19 13.560 -0.883 -3.299 181 HD11 LEU 19 HD11 LEU 19 12.039 -3.485 -3.376 182 HD12 LEU 19 HD12 LEU 19 13.291 -3.041 -2.216 183 HD13 LEU 19 HD13 LEU 19 13.700 -3.244 -3.919 184 HD21 LEU 19 HD21 LEU 19 12.076 -0.156 -5.091 185 HD22 LEU 19 HD22 LEU 19 11.326 -1.752 -5.127 186 HD23 LEU 19 HD23 LEU 19 13.021 -1.563 -5.577 187 H LYS 20 H LYS 20 12.109 1.619 -1.178 188 HA LYS 20 HA LYS 20 14.901 1.927 -1.537 189 HB2 LYS 20 HB2 LYS 20 12.866 3.964 -0.606 190 HB3 LYS 20 HB3 LYS 20 14.477 4.324 -1.207 191 HG2 LYS 20 HG2 LYS 20 13.866 3.420 -3.395 192 HG3 LYS 20 HG3 LYS 20 12.249 3.061 -2.788 193 HD2 LYS 20 HD2 LYS 20 11.863 5.427 -2.362 194 HD3 LYS 20 HD3 LYS 20 13.495 5.803 -2.915 195 HE2 LYS 20 HE2 LYS 20 11.284 4.603 -4.579 196 HE3 LYS 20 HE3 LYS 20 11.843 6.273 -4.648 197 HZ1 LYS 20 HZ1 LYS 20 14.100 5.250 -5.197 198 HZ2 LYS 20 HZ2 LYS 20 12.915 5.230 -6.409 199 HZ3 LYS 20 HZ3 LYS 20 13.247 3.822 -5.523 200 H LEU 21 H LEU 21 12.951 1.468 1.228 201 HA LEU 21 HA LEU 21 14.778 2.701 3.086 202 HB2 LEU 21 HB2 LEU 21 12.319 2.636 3.442 203 HB3 LEU 21 HB3 LEU 21 12.416 0.894 3.607 204 HG LEU 21 HG LEU 21 13.872 1.204 5.601 205 HD11 LEU 21 HD11 LEU 21 13.169 4.113 5.239 206 HD12 LEU 21 HD12 LEU 21 14.772 3.400 5.066 207 HD13 LEU 21 HD13 LEU 21 13.979 3.415 6.642 208 HD21 LEU 21 HD21 LEU 21 11.183 2.567 5.719 209 HD22 LEU 21 HD22 LEU 21 12.078 1.928 7.097 210 HD23 LEU 21 HD23 LEU 21 11.477 0.833 5.852 211 H LYS 22 H LYS 22 14.773 -0.173 1.399 212 HA LYS 22 HA LYS 22 16.371 -1.492 3.488 213 HB2 LYS 22 HB2 LYS 22 14.222 -2.634 3.198 214 HB3 LYS 22 HB3 LYS 22 14.551 -2.834 1.481 215 HG2 LYS 22 HG2 LYS 22 16.318 -4.349 1.904 216 HG3 LYS 22 HG3 LYS 22 16.328 -3.964 3.625 217 HD2 LYS 22 HD2 LYS 22 14.037 -5.274 2.167 218 HD3 LYS 22 HD3 LYS 22 15.252 -6.138 3.111 219 HE2 LYS 22 HE2 LYS 22 14.589 -4.862 5.104 220 HE3 LYS 22 HE3 LYS 22 13.357 -4.034 4.156 221 HZ1 LYS 22 HZ1 LYS 22 12.302 -6.188 3.747 222 HZ2 LYS 22 HZ2 LYS 22 12.379 -5.827 5.398 223 HZ3 LYS 22 HZ3 LYS 22 13.462 -6.950 4.726 224 H LYS 23 H LYS 23 15.864 -1.237 -0.044 225 HA LYS 23 HA LYS 23 18.585 -2.276 -0.386 226 HB2 LYS 23 HB2 LYS 23 16.744 -3.409 -1.637 227 HB3 LYS 23 HB3 LYS 23 16.474 -1.908 -2.517 228 HG2 LYS 23 HG2 LYS 23 18.816 -2.019 -3.323 229 HG3 LYS 23 HG3 LYS 23 18.973 -3.587 -2.532 230 HD2 LYS 23 HD2 LYS 23 18.514 -3.965 -4.845 231 HD3 LYS 23 HD3 LYS 23 17.073 -4.400 -3.926 232 HE2 LYS 23 HE2 LYS 23 15.958 -2.404 -4.566 233 HE3 LYS 23 HE3 LYS 23 17.442 -1.705 -5.217 234 HZ1 LYS 23 HZ1 LYS 23 15.926 -2.556 -6.944 235 HZ2 LYS 23 HZ2 LYS 23 16.104 -4.121 -6.315 236 HZ3 LYS 23 HZ3 LYS 23 17.442 -3.313 -6.972 237 H ALA 24 H ALA 24 20.187 -1.027 -1.063 238 HA ALA 24 HA ALA 24 19.531 1.591 -2.234 239 HB1 ALA 24 HB1 ALA 24 21.517 2.513 -1.166 240 HB2 ALA 24 HB2 ALA 24 21.873 0.946 -0.440 241 HB3 ALA 24 HB3 ALA 24 20.425 1.831 0.040 Start of MODEL 7 1 H1 LYS 1 H1 LYS 1 -21.499 15.672 -4.452 2 H2 LYS 1 H2 LYS 1 -21.482 14.668 -3.091 3 H3 LYS 1 H3 LYS 1 -22.947 15.334 -3.633 4 HA LYS 1 HA LYS 1 -22.791 13.014 -4.251 5 HB2 LYS 1 HB2 LYS 1 -22.491 14.925 -6.581 6 HB3 LYS 1 HB3 LYS 1 -23.080 13.274 -6.710 7 HG2 LYS 1 HG2 LYS 1 -24.396 15.449 -5.102 8 HG3 LYS 1 HG3 LYS 1 -24.874 14.948 -6.725 9 HD2 LYS 1 HD2 LYS 1 -25.314 12.683 -5.873 10 HD3 LYS 1 HD3 LYS 1 -24.885 13.222 -4.247 11 HE2 LYS 1 HE2 LYS 1 -27.128 14.327 -5.935 12 HE3 LYS 1 HE3 LYS 1 -27.316 13.178 -4.613 13 HZ1 LYS 1 HZ1 LYS 1 -27.805 15.401 -3.873 14 HZ2 LYS 1 HZ2 LYS 1 -26.291 15.957 -4.389 15 HZ3 LYS 1 HZ3 LYS 1 -26.396 14.852 -3.101 16 H LYS 2 H LYS 2 -21.823 11.540 -5.947 17 HA LYS 2 HA LYS 2 -20.103 10.448 -6.931 18 HB2 LYS 2 HB2 LYS 2 -19.898 12.705 -8.088 19 HB3 LYS 2 HB3 LYS 2 -18.597 13.062 -6.964 20 HG2 LYS 2 HG2 LYS 2 -17.291 11.230 -7.820 21 HG3 LYS 2 HG3 LYS 2 -18.617 10.732 -8.871 22 HD2 LYS 2 HD2 LYS 2 -18.477 12.924 -10.018 23 HD3 LYS 2 HD3 LYS 2 -17.080 13.323 -9.020 24 HE2 LYS 2 HE2 LYS 2 -16.418 12.526 -11.241 25 HE3 LYS 2 HE3 LYS 2 -15.844 11.458 -9.962 26 HZ1 LYS 2 HZ1 LYS 2 -18.387 10.906 -11.361 27 HZ2 LYS 2 HZ2 LYS 2 -17.373 9.834 -10.518 28 HZ3 LYS 2 HZ3 LYS 2 -16.904 10.430 -12.036 29 H LEU 3 H LEU 3 -20.256 10.392 -4.134 30 HA LEU 3 HA LEU 3 -17.592 10.637 -3.058 31 HB2 LEU 3 HB2 LEU 3 -20.099 9.351 -1.976 32 HB3 LEU 3 HB3 LEU 3 -18.582 9.410 -1.096 33 HG LEU 3 HG LEU 3 -20.181 11.814 -1.985 34 HD11 LEU 3 HD11 LEU 3 -21.286 10.579 -0.202 35 HD12 LEU 3 HD12 LEU 3 -20.649 12.114 0.390 36 HD13 LEU 3 HD13 LEU 3 -19.803 10.609 0.749 37 HD21 LEU 3 HD21 LEU 3 -17.712 11.623 -0.264 38 HD22 LEU 3 HD22 LEU 3 -18.618 13.092 -0.625 39 HD23 LEU 3 HD23 LEU 3 -17.771 12.240 -1.917 40 H LYS 4 H LYS 4 -16.660 9.393 -4.828 41 HA LYS 4 HA LYS 4 -16.683 6.503 -4.262 42 HB2 LYS 4 HB2 LYS 4 -17.846 7.004 -6.374 43 HB3 LYS 4 HB3 LYS 4 -16.439 7.876 -6.948 44 HG2 LYS 4 HG2 LYS 4 -16.609 5.677 -7.967 45 HG3 LYS 4 HG3 LYS 4 -15.148 5.826 -6.989 46 HD2 LYS 4 HD2 LYS 4 -16.150 4.555 -5.208 47 HD3 LYS 4 HD3 LYS 4 -17.703 4.523 -6.048 48 HE2 LYS 4 HE2 LYS 4 -16.482 2.409 -6.286 49 HE3 LYS 4 HE3 LYS 4 -16.734 3.204 -7.840 50 HZ1 LYS 4 HZ1 LYS 4 -14.517 2.433 -7.805 51 HZ2 LYS 4 HZ2 LYS 4 -14.225 3.061 -6.258 52 HZ3 LYS 4 HZ3 LYS 4 -14.420 4.109 -7.575 53 H LEU 5 H LEU 5 -14.986 9.211 -3.925 54 HA LEU 5 HA LEU 5 -12.421 8.217 -4.929 55 HB2 LEU 5 HB2 LEU 5 -13.071 10.901 -3.722 56 HB3 LEU 5 HB3 LEU 5 -11.605 10.464 -4.574 57 HG LEU 5 HG LEU 5 -14.358 10.673 -5.798 58 HD11 LEU 5 HD11 LEU 5 -13.421 12.847 -5.254 59 HD12 LEU 5 HD12 LEU 5 -13.411 12.590 -6.998 60 HD13 LEU 5 HD13 LEU 5 -11.917 12.424 -6.075 61 HD21 LEU 5 HD21 LEU 5 -13.039 8.943 -6.876 62 HD22 LEU 5 HD22 LEU 5 -11.687 10.060 -7.058 63 HD23 LEU 5 HD23 LEU 5 -13.192 10.350 -7.932 64 H ALA 6 H ALA 6 -12.719 6.564 -3.116 65 HA ALA 6 HA ALA 6 -12.101 7.530 -0.453 66 HB1 ALA 6 HB1 ALA 6 -13.660 5.684 -0.691 67 HB2 ALA 6 HB2 ALA 6 -12.225 5.169 0.196 68 HB3 ALA 6 HB3 ALA 6 -12.423 4.721 -1.497 69 HA PRO 7 HA PRO 7 -7.750 7.367 -1.635 70 HB2 PRO 7 HB2 PRO 7 -7.361 8.454 1.075 71 HB3 PRO 7 HB3 PRO 7 -6.900 9.136 -0.486 72 HG2 PRO 7 HG2 PRO 7 -8.902 10.182 0.956 73 HG3 PRO 7 HG3 PRO 7 -8.959 10.131 -0.818 74 HD2 PRO 7 HD2 PRO 7 -10.292 8.327 1.176 75 HD3 PRO 7 HD3 PRO 7 -10.951 9.032 -0.319 76 H ALA 8 H ALA 8 -9.264 6.047 1.199 77 HA ALA 8 HA ALA 8 -7.031 4.806 2.373 78 HB1 ALA 8 HB1 ALA 8 -8.637 3.483 3.628 79 HB2 ALA 8 HB2 ALA 8 -9.922 3.959 2.518 80 HB3 ALA 8 HB3 ALA 8 -9.153 5.168 3.548 81 H LYS 9 H LYS 9 -9.096 3.834 -0.283 82 HA LYS 9 HA LYS 9 -8.063 1.126 -0.273 83 HB2 LYS 9 HB2 LYS 9 -10.019 2.597 -2.024 84 HB3 LYS 9 HB3 LYS 9 -9.434 0.991 -2.438 85 HG2 LYS 9 HG2 LYS 9 -10.802 1.678 0.153 86 HG3 LYS 9 HG3 LYS 9 -11.620 1.004 -1.261 87 HD2 LYS 9 HD2 LYS 9 -10.164 -0.967 -1.155 88 HD3 LYS 9 HD3 LYS 9 -9.348 -0.290 0.254 89 HE2 LYS 9 HE2 LYS 9 -12.300 -0.885 0.156 90 HE3 LYS 9 HE3 LYS 9 -11.093 -2.022 0.756 91 HZ1 LYS 9 HZ1 LYS 9 -12.176 -0.711 2.521 92 HZ2 LYS 9 HZ2 LYS 9 -11.512 0.706 1.862 93 HZ3 LYS 9 HZ3 LYS 9 -10.495 -0.502 2.480 94 H LEU 10 H LEU 10 -7.140 4.124 -1.557 95 HA LEU 10 HA LEU 10 -5.621 2.873 -3.728 96 HB2 LEU 10 HB2 LEU 10 -6.142 5.787 -3.128 97 HB3 LEU 10 HB3 LEU 10 -5.230 5.187 -4.501 98 HG LEU 10 HG LEU 10 -8.166 4.659 -3.991 99 HD11 LEU 10 HD11 LEU 10 -8.515 6.113 -5.937 100 HD12 LEU 10 HD12 LEU 10 -6.784 6.454 -5.983 101 HD13 LEU 10 HD13 LEU 10 -7.748 6.974 -4.602 102 HD21 LEU 10 HD21 LEU 10 -7.053 2.819 -5.167 103 HD22 LEU 10 HD22 LEU 10 -6.427 3.961 -6.358 104 HD23 LEU 10 HD23 LEU 10 -8.164 3.690 -6.224 105 H ALA 11 H ALA 11 -5.275 4.157 -0.590 106 HA ALA 11 HA ALA 11 -2.490 4.812 -0.773 107 HB1 ALA 11 HB1 ALA 11 -3.978 5.863 0.871 108 HB2 ALA 11 HB2 ALA 11 -2.592 5.080 1.628 109 HB3 ALA 11 HB3 ALA 11 -4.175 4.303 1.670 110 H LEU 12 H LEU 12 -2.207 2.601 -1.887 111 HA LEU 12 HA LEU 12 -1.287 0.694 0.160 112 HB2 LEU 12 HB2 LEU 12 -2.480 0.086 -2.547 113 HB3 LEU 12 HB3 LEU 12 -1.673 -1.103 -1.542 114 HG LEU 12 HG LEU 12 -4.190 0.393 -0.792 115 HD11 LEU 12 HD11 LEU 12 -3.789 -2.482 -1.616 116 HD12 LEU 12 HD12 LEU 12 -4.548 -1.225 -2.593 117 HD13 LEU 12 HD13 LEU 12 -5.306 -1.752 -1.090 118 HD21 LEU 12 HD21 LEU 12 -2.720 -1.843 0.610 119 HD22 LEU 12 HD22 LEU 12 -4.277 -1.172 1.095 120 HD23 LEU 12 HD23 LEU 12 -2.830 -0.168 1.153 121 H LEU 13 H LEU 13 0.133 2.884 -1.044 122 HA LEU 13 HA LEU 13 1.884 1.748 -3.048 123 HB2 LEU 13 HB2 LEU 13 1.110 4.126 -3.096 124 HB3 LEU 13 HB3 LEU 13 2.056 4.420 -1.651 125 HG LEU 13 HG LEU 13 4.112 3.836 -2.918 126 HD11 LEU 13 HD11 LEU 13 3.979 3.707 -5.366 127 HD12 LEU 13 HD12 LEU 13 2.217 3.722 -5.263 128 HD13 LEU 13 HD13 LEU 13 3.131 2.372 -4.587 129 HD21 LEU 13 HD21 LEU 13 2.435 6.019 -4.151 130 HD22 LEU 13 HD22 LEU 13 4.193 5.895 -4.218 131 HD23 LEU 13 HD23 LEU 13 3.386 6.162 -2.674 132 H TRP 14 H TRP 14 2.229 0.081 -1.164 133 HA TRP 14 HA TRP 14 4.265 0.961 0.721 134 HB2 TRP 14 HB2 TRP 14 2.946 -1.744 0.431 135 HB3 TRP 14 HB3 TRP 14 3.991 -1.238 1.756 136 HD1 TRP 14 HD1 TRP 14 0.450 -1.543 0.931 137 HE1 TRP 14 HE1 TRP 14 -1.014 -0.171 2.544 138 HE3 TRP 14 HE3 TRP 14 4.090 1.347 3.066 139 HZ2 TRP 14 HZ2 TRP 14 -0.670 1.874 4.454 140 HZ3 TRP 14 HZ3 TRP 14 3.436 2.992 4.776 141 HH2 TRP 14 HH2 TRP 14 1.108 3.248 5.454 142 H LYS 15 H LYS 15 3.924 -0.997 -2.165 143 HA LYS 15 HA LYS 15 6.564 -2.144 -1.943 144 HB2 LYS 15 HB2 LYS 15 4.523 -2.170 -4.161 145 HB3 LYS 15 HB3 LYS 15 6.099 -2.938 -4.297 146 HG2 LYS 15 HG2 LYS 15 5.522 -4.307 -2.297 147 HG3 LYS 15 HG3 LYS 15 3.896 -3.623 -2.367 148 HD2 LYS 15 HD2 LYS 15 3.549 -4.552 -4.566 149 HD3 LYS 15 HD3 LYS 15 5.219 -5.118 -4.629 150 HE2 LYS 15 HE2 LYS 15 3.081 -6.054 -2.720 151 HE3 LYS 15 HE3 LYS 15 3.709 -6.947 -4.104 152 HZ1 LYS 15 HZ1 LYS 15 5.937 -6.812 -2.993 153 HZ2 LYS 15 HZ2 LYS 15 4.794 -7.774 -2.194 154 HZ3 LYS 15 HZ3 LYS 15 5.147 -6.222 -1.610 155 H ALA 16 H ALA 16 6.946 0.409 -1.660 156 HA ALA 16 HA ALA 16 8.650 1.048 -3.899 157 HB1 ALA 16 HB1 ALA 16 6.560 2.136 -4.560 158 HB2 ALA 16 HB2 ALA 16 7.795 3.331 -4.166 159 HB3 ALA 16 HB3 ALA 16 6.503 2.984 -3.016 160 H LEU 17 H LEU 17 7.210 2.620 -1.058 161 HA LEU 17 HA LEU 17 9.483 3.951 -0.163 162 HB2 LEU 17 HB2 LEU 17 7.168 4.362 0.604 163 HB3 LEU 17 HB3 LEU 17 7.206 2.847 1.485 164 HG LEU 17 HG LEU 17 9.051 3.749 2.883 165 HD11 LEU 17 HD11 LEU 17 8.470 6.297 1.379 166 HD12 LEU 17 HD12 LEU 17 9.969 5.370 1.340 167 HD13 LEU 17 HD13 LEU 17 9.467 6.174 2.827 168 HD21 LEU 17 HD21 LEU 17 6.528 5.401 2.830 169 HD22 LEU 17 HD22 LEU 17 7.644 5.267 4.189 170 HD23 LEU 17 HD23 LEU 17 6.738 3.853 3.648 171 H ALA 18 H ALA 18 8.268 0.727 0.693 172 HA ALA 18 HA ALA 18 10.193 0.110 2.638 173 HB1 ALA 18 HB1 ALA 18 9.535 -2.211 2.310 174 HB2 ALA 18 HB2 ALA 18 8.720 -1.783 0.806 175 HB3 ALA 18 HB3 ALA 18 8.117 -1.161 2.343 176 H LEU 19 H LEU 19 10.164 -0.335 -0.855 177 HA LEU 19 HA LEU 19 12.584 -1.850 -0.929 178 HB2 LEU 19 HB2 LEU 19 11.136 -0.399 -3.144 179 HB3 LEU 19 HB3 LEU 19 12.422 -1.569 -3.363 180 HG LEU 19 HG LEU 19 9.698 -2.146 -2.193 181 HD11 LEU 19 HD11 LEU 19 9.342 -3.436 -4.233 182 HD12 LEU 19 HD12 LEU 19 10.914 -2.919 -4.843 183 HD13 LEU 19 HD13 LEU 19 9.631 -1.735 -4.595 184 HD21 LEU 19 HD21 LEU 19 12.032 -3.969 -2.759 185 HD22 LEU 19 HD22 LEU 19 10.411 -4.503 -2.314 186 HD23 LEU 19 HD23 LEU 19 11.371 -3.559 -1.175 187 H LYS 20 H LYS 20 11.891 1.460 -0.628 188 HA LYS 20 HA LYS 20 14.424 2.336 -1.745 189 HB2 LYS 20 HB2 LYS 20 12.263 3.850 -0.265 190 HB3 LYS 20 HB3 LYS 20 13.708 4.585 -0.946 191 HG2 LYS 20 HG2 LYS 20 11.600 3.130 -2.527 192 HG3 LYS 20 HG3 LYS 20 11.719 4.882 -2.357 193 HD2 LYS 20 HD2 LYS 20 13.819 3.082 -3.561 194 HD3 LYS 20 HD3 LYS 20 12.692 4.096 -4.467 195 HE2 LYS 20 HE2 LYS 20 13.642 6.084 -3.363 196 HE3 LYS 20 HE3 LYS 20 14.794 5.047 -2.522 197 HZ1 LYS 20 HZ1 LYS 20 15.706 4.384 -4.655 198 HZ2 LYS 20 HZ2 LYS 20 15.777 6.067 -4.470 199 HZ3 LYS 20 HZ3 LYS 20 14.591 5.373 -5.469 200 H LEU 21 H LEU 21 12.834 2.183 1.414 201 HA LEU 21 HA LEU 21 15.041 3.234 2.847 202 HB2 LEU 21 HB2 LEU 21 12.466 1.946 3.571 203 HB3 LEU 21 HB3 LEU 21 13.720 1.981 4.793 204 HG LEU 21 HG LEU 21 12.201 3.866 5.063 205 HD11 LEU 21 HD11 LEU 21 14.906 4.732 4.056 206 HD12 LEU 21 HD12 LEU 21 14.553 4.127 5.675 207 HD13 LEU 21 HD13 LEU 21 13.847 5.649 5.129 208 HD21 LEU 21 HD21 LEU 21 11.469 4.117 2.755 209 HD22 LEU 21 HD22 LEU 21 13.078 4.676 2.292 210 HD23 LEU 21 HD23 LEU 21 12.088 5.642 3.388 211 H LYS 22 H LYS 22 13.962 -0.081 2.202 212 HA LYS 22 HA LYS 22 16.223 -1.115 3.726 213 HB2 LYS 22 HB2 LYS 22 13.950 -2.190 3.809 214 HB3 LYS 22 HB3 LYS 22 14.180 -2.672 2.133 215 HG2 LYS 22 HG2 LYS 22 16.231 -3.896 2.849 216 HG3 LYS 22 HG3 LYS 22 15.801 -3.524 4.520 217 HD2 LYS 22 HD2 LYS 22 14.151 -5.104 2.553 218 HD3 LYS 22 HD3 LYS 22 15.058 -5.756 3.917 219 HE2 LYS 22 HE2 LYS 22 13.643 -4.559 5.471 220 HE3 LYS 22 HE3 LYS 22 12.780 -3.794 4.133 221 HZ1 LYS 22 HZ1 LYS 22 11.550 -5.664 5.038 222 HZ2 LYS 22 HZ2 LYS 22 12.849 -6.704 4.723 223 HZ3 LYS 22 HZ3 LYS 22 12.015 -5.978 3.437 224 H LYS 23 H LYS 23 15.312 -0.401 0.502 225 HA LYS 23 HA LYS 23 16.394 -0.443 -1.481 226 HB2 LYS 23 HB2 LYS 23 18.436 0.160 -0.208 227 HB3 LYS 23 HB3 LYS 23 18.769 -1.548 0.029 228 HG2 LYS 23 HG2 LYS 23 20.134 -0.709 -1.752 229 HG3 LYS 23 HG3 LYS 23 18.940 -1.825 -2.416 230 HD2 LYS 23 HD2 LYS 23 17.565 0.040 -3.144 231 HD3 LYS 23 HD3 LYS 23 18.697 1.181 -2.415 232 HE2 LYS 23 HE2 LYS 23 19.234 -0.682 -4.723 233 HE3 LYS 23 HE3 LYS 23 19.093 1.074 -4.789 234 HZ1 LYS 23 HZ1 LYS 23 21.031 1.034 -3.129 235 HZ2 LYS 23 HZ2 LYS 23 21.362 0.728 -4.757 236 HZ3 LYS 23 HZ3 LYS 23 21.274 -0.561 -3.658 237 H ALA 24 H ALA 24 17.203 -3.344 0.416 238 HA ALA 24 HA ALA 24 17.103 -5.027 -1.929 239 HB1 ALA 24 HB1 ALA 24 17.619 -6.844 -0.391 240 HB2 ALA 24 HB2 ALA 24 17.367 -5.767 0.982 241 HB3 ALA 24 HB3 ALA 24 18.705 -5.479 -0.132 Start of MODEL 8 1 H1 LYS 1 H1 LYS 1 5.885 -18.204 5.383 2 H2 LYS 1 H2 LYS 1 7.165 -17.358 4.669 3 H3 LYS 1 H3 LYS 1 7.367 -18.073 6.195 4 HA LYS 1 HA LYS 1 8.467 -19.450 4.664 5 HB2 LYS 1 HB2 LYS 1 5.742 -20.599 5.301 6 HB3 LYS 1 HB3 LYS 1 7.140 -21.540 4.799 7 HG2 LYS 1 HG2 LYS 1 7.031 -19.850 7.290 8 HG3 LYS 1 HG3 LYS 1 6.714 -21.585 7.237 9 HD2 LYS 1 HD2 LYS 1 9.293 -20.299 6.339 10 HD3 LYS 1 HD3 LYS 1 9.035 -20.997 7.941 11 HE2 LYS 1 HE2 LYS 1 8.857 -22.458 5.307 12 HE3 LYS 1 HE3 LYS 1 10.177 -22.571 6.469 13 HZ1 LYS 1 HZ1 LYS 1 8.544 -23.434 8.095 14 HZ2 LYS 1 HZ2 LYS 1 8.743 -24.439 6.743 15 HZ3 LYS 1 HZ3 LYS 1 7.373 -23.453 6.869 16 H LYS 2 H LYS 2 5.038 -19.514 3.626 17 HA LYS 2 HA LYS 2 6.010 -19.210 0.867 18 HB2 LYS 2 HB2 LYS 2 3.931 -21.138 1.881 19 HB3 LYS 2 HB3 LYS 2 4.058 -20.693 0.186 20 HG2 LYS 2 HG2 LYS 2 6.435 -21.488 0.255 21 HG3 LYS 2 HG3 LYS 2 6.095 -22.124 1.867 22 HD2 LYS 2 HD2 LYS 2 4.382 -23.573 0.984 23 HD3 LYS 2 HD3 LYS 2 4.556 -22.861 -0.622 24 HE2 LYS 2 HE2 LYS 2 6.869 -23.689 -0.711 25 HE3 LYS 2 HE3 LYS 2 6.650 -24.432 0.874 26 HZ1 LYS 2 HZ1 LYS 2 6.360 -26.023 -0.939 27 HZ2 LYS 2 HZ2 LYS 2 5.082 -25.101 -1.562 28 HZ3 LYS 2 HZ3 LYS 2 4.932 -25.840 -0.042 29 H LEU 3 H LEU 3 5.440 -17.251 0.337 30 HA LEU 3 HA LEU 3 4.141 -15.565 -0.412 31 HB2 LEU 3 HB2 LEU 3 1.938 -17.609 -0.146 32 HB3 LEU 3 HB3 LEU 3 1.783 -16.068 -0.969 33 HG LEU 3 HG LEU 3 3.667 -18.285 -1.782 34 HD11 LEU 3 HD11 LEU 3 2.171 -18.582 -3.681 35 HD12 LEU 3 HD12 LEU 3 1.088 -17.349 -3.033 36 HD13 LEU 3 HD13 LEU 3 1.323 -18.864 -2.160 37 HD21 LEU 3 HD21 LEU 3 2.993 -15.653 -3.094 38 HD22 LEU 3 HD22 LEU 3 3.983 -16.926 -3.806 39 HD23 LEU 3 HD23 LEU 3 4.535 -16.090 -2.356 40 H LYS 4 H LYS 4 4.771 -15.165 2.121 41 HA LYS 4 HA LYS 4 2.263 -14.126 3.265 42 HB2 LYS 4 HB2 LYS 4 3.475 -15.859 4.669 43 HB3 LYS 4 HB3 LYS 4 4.773 -14.684 4.850 44 HG2 LYS 4 HG2 LYS 4 3.314 -13.152 5.975 45 HG3 LYS 4 HG3 LYS 4 1.915 -14.177 5.654 46 HD2 LYS 4 HD2 LYS 4 3.030 -15.963 7.016 47 HD3 LYS 4 HD3 LYS 4 4.255 -14.768 7.459 48 HE2 LYS 4 HE2 LYS 4 2.543 -13.348 8.439 49 HE3 LYS 4 HE3 LYS 4 1.289 -14.484 7.947 50 HZ1 LYS 4 HZ1 LYS 4 2.417 -16.159 9.372 51 HZ2 LYS 4 HZ2 LYS 4 1.759 -14.851 10.222 52 HZ3 LYS 4 HZ3 LYS 4 3.431 -14.925 9.948 53 H LEU 5 H LEU 5 5.269 -13.407 1.895 54 HA LEU 5 HA LEU 5 5.256 -10.661 2.910 55 HB2 LEU 5 HB2 LEU 5 7.215 -12.254 1.277 56 HB3 LEU 5 HB3 LEU 5 7.313 -10.507 1.344 57 HG LEU 5 HG LEU 5 7.513 -10.705 3.849 58 HD11 LEU 5 HD11 LEU 5 8.216 -12.854 4.766 59 HD12 LEU 5 HD12 LEU 5 7.928 -13.621 3.204 60 HD13 LEU 5 HD13 LEU 5 6.580 -12.940 4.114 61 HD21 LEU 5 HD21 LEU 5 9.877 -11.335 3.777 62 HD22 LEU 5 HD22 LEU 5 9.439 -10.288 2.427 63 HD23 LEU 5 HD23 LEU 5 9.641 -12.020 2.168 64 H ALA 6 H ALA 6 3.102 -11.592 1.327 65 HA ALA 6 HA ALA 6 3.431 -9.943 -1.089 66 HB1 ALA 6 HB1 ALA 6 1.690 -11.329 -2.130 67 HB2 ALA 6 HB2 ALA 6 1.608 -12.313 -0.670 68 HB3 ALA 6 HB3 ALA 6 3.081 -12.298 -1.639 69 HA PRO 7 HA PRO 7 0.169 -8.009 1.490 70 HB2 PRO 7 HB2 PRO 7 1.476 -5.668 1.981 71 HB3 PRO 7 HB3 PRO 7 1.679 -7.121 2.958 72 HG2 PRO 7 HG2 PRO 7 3.590 -5.851 1.189 73 HG3 PRO 7 HG3 PRO 7 3.841 -7.193 2.317 74 HD2 PRO 7 HD2 PRO 7 3.379 -7.257 -0.584 75 HD3 PRO 7 HD3 PRO 7 4.034 -8.517 0.483 76 H ALA 8 H ALA 8 -0.168 -8.146 -1.193 77 HA ALA 8 HA ALA 8 0.021 -5.706 -2.597 78 HB1 ALA 8 HB1 ALA 8 -1.870 -8.012 -3.066 79 HB2 ALA 8 HB2 ALA 8 -0.239 -7.863 -3.722 80 HB3 ALA 8 HB3 ALA 8 -1.495 -6.727 -4.214 81 H LYS 9 H LYS 9 -2.440 -7.061 -0.494 82 HA LYS 9 HA LYS 9 -4.238 -4.821 -1.018 83 HB2 LYS 9 HB2 LYS 9 -4.514 -7.224 0.797 84 HB3 LYS 9 HB3 LYS 9 -5.755 -6.002 0.559 85 HG2 LYS 9 HG2 LYS 9 -5.885 -6.599 -1.805 86 HG3 LYS 9 HG3 LYS 9 -4.651 -7.837 -1.559 87 HD2 LYS 9 HD2 LYS 9 -6.083 -9.030 -0.034 88 HD3 LYS 9 HD3 LYS 9 -7.294 -7.747 -0.110 89 HE2 LYS 9 HE2 LYS 9 -6.425 -9.548 -2.365 90 HE3 LYS 9 HE3 LYS 9 -7.962 -9.612 -1.502 91 HZ1 LYS 9 HZ1 LYS 9 -8.455 -8.450 -3.422 92 HZ2 LYS 9 HZ2 LYS 9 -6.996 -7.587 -3.415 93 HZ3 LYS 9 HZ3 LYS 9 -8.212 -7.200 -2.296 94 H LEU 10 H LEU 10 -1.545 -5.071 0.729 95 HA LEU 10 HA LEU 10 -2.647 -3.629 3.057 96 HB2 LEU 10 HB2 LEU 10 -0.232 -5.443 2.989 97 HB3 LEU 10 HB3 LEU 10 -0.805 -4.558 4.389 98 HG LEU 10 HG LEU 10 -2.326 -6.756 2.981 99 HD11 LEU 10 HD11 LEU 10 -0.369 -7.605 4.138 100 HD12 LEU 10 HD12 LEU 10 -1.847 -8.072 4.980 101 HD13 LEU 10 HD13 LEU 10 -0.852 -6.757 5.607 102 HD21 LEU 10 HD21 LEU 10 -3.796 -5.103 4.008 103 HD22 LEU 10 HD22 LEU 10 -2.929 -5.269 5.535 104 HD23 LEU 10 HD23 LEU 10 -3.842 -6.631 4.885 105 H ALA 11 H ALA 11 0.443 -4.149 1.368 106 HA ALA 11 HA ALA 11 1.068 -1.305 1.816 107 HB1 ALA 11 HB1 ALA 11 2.418 -2.761 3.248 108 HB2 ALA 11 HB2 ALA 11 3.409 -1.924 2.054 109 HB3 ALA 11 HB3 ALA 11 3.001 -3.624 1.824 110 H LEU 12 H LEU 12 -0.243 -1.703 -0.391 111 HA LEU 12 HA LEU 12 1.396 -2.465 -2.622 112 HB2 LEU 12 HB2 LEU 12 -1.090 -2.697 -2.573 113 HB3 LEU 12 HB3 LEU 12 -1.220 -0.949 -2.596 114 HG LEU 12 HG LEU 12 -0.123 -0.909 -4.807 115 HD11 LEU 12 HD11 LEU 12 0.178 -3.003 -6.038 116 HD12 LEU 12 HD12 LEU 12 -0.276 -3.915 -4.599 117 HD13 LEU 12 HD13 LEU 12 1.199 -2.947 -4.602 118 HD21 LEU 12 HD21 LEU 12 -2.531 -2.717 -4.630 119 HD22 LEU 12 HD22 LEU 12 -1.997 -1.849 -6.069 120 HD23 LEU 12 HD23 LEU 12 -2.555 -0.955 -4.656 121 H LEU 13 H LEU 13 0.474 0.490 -0.988 122 HA LEU 13 HA LEU 13 1.846 2.163 -2.928 123 HB2 LEU 13 HB2 LEU 13 -0.180 3.011 -1.876 124 HB3 LEU 13 HB3 LEU 13 0.529 2.808 -0.286 125 HG LEU 13 HG LEU 13 2.203 4.538 -0.823 126 HD11 LEU 13 HD11 LEU 13 1.946 5.907 -2.815 127 HD12 LEU 13 HD12 LEU 13 0.619 4.884 -3.363 128 HD13 LEU 13 HD13 LEU 13 2.250 4.225 -3.250 129 HD21 LEU 13 HD21 LEU 13 -0.666 5.385 -1.221 130 HD22 LEU 13 HD22 LEU 13 0.663 6.446 -0.752 131 HD23 LEU 13 HD23 LEU 13 0.144 5.152 0.329 132 H TRP 14 H TRP 14 2.366 0.717 0.190 133 HA TRP 14 HA TRP 14 4.731 2.224 0.798 134 HB2 TRP 14 HB2 TRP 14 3.777 -0.362 2.041 135 HB3 TRP 14 HB3 TRP 14 4.957 0.756 2.717 136 HD1 TRP 14 HD1 TRP 14 1.543 -0.160 3.262 137 HE1 TRP 14 HE1 TRP 14 0.166 1.746 4.307 138 HE3 TRP 14 HE3 TRP 14 4.718 3.749 2.343 139 HZ2 TRP 14 HZ2 TRP 14 0.395 4.526 4.702 140 HZ3 TRP 14 HZ3 TRP 14 4.062 6.000 3.098 141 HH2 TRP 14 HH2 TRP 14 1.944 6.376 4.251 142 H LYS 15 H LYS 15 4.092 -0.131 -1.384 143 HA LYS 15 HA LYS 15 6.293 -1.841 -1.326 144 HB2 LYS 15 HB2 LYS 15 4.412 -2.280 -2.757 145 HB3 LYS 15 HB3 LYS 15 4.651 -0.770 -3.621 146 HG2 LYS 15 HG2 LYS 15 6.786 -1.642 -4.490 147 HG3 LYS 15 HG3 LYS 15 6.461 -3.174 -3.674 148 HD2 LYS 15 HD2 LYS 15 4.523 -3.562 -5.011 149 HD3 LYS 15 HD3 LYS 15 4.591 -1.935 -5.688 150 HE2 LYS 15 HE2 LYS 15 6.734 -2.499 -6.763 151 HE3 LYS 15 HE3 LYS 15 6.606 -4.137 -6.120 152 HZ1 LYS 15 HZ1 LYS 15 4.671 -4.532 -7.414 153 HZ2 LYS 15 HZ2 LYS 15 5.839 -3.883 -8.460 154 HZ3 LYS 15 HZ3 LYS 15 4.567 -2.909 -7.894 155 H ALA 16 H ALA 16 5.905 1.384 -2.696 156 HA ALA 16 HA ALA 16 8.387 1.538 -4.016 157 HB1 ALA 16 HB1 ALA 16 8.015 3.944 -4.051 158 HB2 ALA 16 HB2 ALA 16 6.740 3.777 -2.844 159 HB3 ALA 16 HB3 ALA 16 6.530 3.081 -4.451 160 H LEU 17 H LEU 17 7.414 2.136 -0.706 161 HA LEU 17 HA LEU 17 9.904 3.327 0.072 162 HB2 LEU 17 HB2 LEU 17 7.565 2.267 1.650 163 HB3 LEU 17 HB3 LEU 17 9.004 2.904 2.420 164 HG LEU 17 HG LEU 17 8.551 5.067 1.146 165 HD11 LEU 17 HD11 LEU 17 6.976 4.153 -0.491 166 HD12 LEU 17 HD12 LEU 17 6.263 5.473 0.436 167 HD13 LEU 17 HD13 LEU 17 5.835 3.803 0.807 168 HD21 LEU 17 HD21 LEU 17 8.175 4.799 3.544 169 HD22 LEU 17 HD22 LEU 17 6.562 4.161 3.225 170 HD23 LEU 17 HD23 LEU 17 6.947 5.833 2.815 171 H ALA 18 H ALA 18 8.434 0.140 0.244 172 HA ALA 18 HA ALA 18 10.361 -1.112 1.854 173 HB1 ALA 18 HB1 ALA 18 9.488 -3.213 0.972 174 HB2 ALA 18 HB2 ALA 18 8.650 -2.339 -0.310 175 HB3 ALA 18 HB3 ALA 18 8.176 -2.106 1.372 176 H LEU 19 H LEU 19 10.260 -0.487 -1.604 177 HA LEU 19 HA LEU 19 12.671 -2.073 -2.025 178 HB2 LEU 19 HB2 LEU 19 10.947 -0.572 -3.993 179 HB3 LEU 19 HB3 LEU 19 12.286 -1.624 -4.408 180 HG LEU 19 HG LEU 19 9.748 -2.517 -3.032 181 HD11 LEU 19 HD11 LEU 19 9.330 -1.841 -5.329 182 HD12 LEU 19 HD12 LEU 19 9.240 -3.598 -5.173 183 HD13 LEU 19 HD13 LEU 19 10.670 -2.845 -5.880 184 HD21 LEU 19 HD21 LEU 19 10.582 -4.771 -3.469 185 HD22 LEU 19 HD22 LEU 19 11.701 -3.873 -2.444 186 HD23 LEU 19 HD23 LEU 19 12.060 -4.098 -4.155 187 H LYS 20 H LYS 20 12.393 0.765 -0.726 188 HA LYS 20 HA LYS 20 14.721 1.836 -2.147 189 HB2 LYS 20 HB2 LYS 20 12.769 3.063 -2.956 190 HB3 LYS 20 HB3 LYS 20 12.322 3.468 -1.303 191 HG2 LYS 20 HG2 LYS 20 14.308 4.808 -1.046 192 HG3 LYS 20 HG3 LYS 20 14.881 4.323 -2.643 193 HD2 LYS 20 HD2 LYS 20 12.964 5.419 -3.678 194 HD3 LYS 20 HD3 LYS 20 12.354 5.881 -2.088 195 HE2 LYS 20 HE2 LYS 20 13.518 7.736 -3.192 196 HE3 LYS 20 HE3 LYS 20 14.331 7.246 -1.704 197 HZ1 LYS 20 HZ1 LYS 20 15.142 6.591 -4.488 198 HZ2 LYS 20 HZ2 LYS 20 15.863 5.913 -3.110 199 HZ3 LYS 20 HZ3 LYS 20 15.970 7.580 -3.384 200 H LEU 21 H LEU 21 12.717 2.153 0.774 201 HA LEU 21 HA LEU 21 14.953 3.285 2.221 202 HB2 LEU 21 HB2 LEU 21 12.135 2.586 3.017 203 HB3 LEU 21 HB3 LEU 21 13.326 3.147 4.171 204 HG LEU 21 HG LEU 21 11.994 5.016 3.601 205 HD11 LEU 21 HD11 LEU 21 14.571 5.165 2.051 206 HD12 LEU 21 HD12 LEU 21 14.363 5.497 3.769 207 HD13 LEU 21 HD13 LEU 21 13.605 6.547 2.571 208 HD21 LEU 21 HD21 LEU 21 10.997 4.146 1.544 209 HD22 LEU 21 HD22 LEU 21 12.522 4.408 0.696 210 HD23 LEU 21 HD23 LEU 21 11.614 5.784 1.325 211 H LYS 22 H LYS 22 13.312 0.199 1.906 212 HA LYS 22 HA LYS 22 14.912 -0.965 4.050 213 HB2 LYS 22 HB2 LYS 22 12.931 -2.281 2.185 214 HB3 LYS 22 HB3 LYS 22 13.675 -3.029 3.591 215 HG2 LYS 22 HG2 LYS 22 12.558 -1.394 5.037 216 HG3 LYS 22 HG3 LYS 22 11.796 -0.677 3.614 217 HD2 LYS 22 HD2 LYS 22 10.686 -2.806 3.130 218 HD3 LYS 22 HD3 LYS 22 11.449 -3.525 4.549 219 HE2 LYS 22 HE2 LYS 22 9.509 -1.216 4.549 220 HE3 LYS 22 HE3 LYS 22 9.138 -2.879 5.005 221 HZ1 LYS 22 HZ1 LYS 22 10.977 -2.579 6.723 222 HZ2 LYS 22 HZ2 LYS 22 9.503 -1.797 7.007 223 HZ3 LYS 22 HZ3 LYS 22 10.828 -0.912 6.426 224 H LYS 23 H LYS 23 15.124 -0.371 0.755 225 HA LYS 23 HA LYS 23 17.065 -2.512 0.306 226 HB2 LYS 23 HB2 LYS 23 15.471 -2.316 -1.464 227 HB3 LYS 23 HB3 LYS 23 15.664 -0.573 -1.539 228 HG2 LYS 23 HG2 LYS 23 16.717 -1.707 -3.435 229 HG3 LYS 23 HG3 LYS 23 17.893 -0.827 -2.460 230 HD2 LYS 23 HD2 LYS 23 18.624 -2.879 -1.416 231 HD3 LYS 23 HD3 LYS 23 17.359 -3.790 -2.243 232 HE2 LYS 23 HE2 LYS 23 19.596 -4.036 -3.288 233 HE3 LYS 23 HE3 LYS 23 18.381 -3.373 -4.378 234 HZ1 LYS 23 HZ1 LYS 23 20.632 -2.275 -4.404 235 HZ2 LYS 23 HZ2 LYS 23 20.269 -1.643 -2.872 236 HZ3 LYS 23 HZ3 LYS 23 19.305 -1.237 -4.211 237 H ALA 24 H ALA 24 19.168 -2.105 0.471 238 HA ALA 24 HA ALA 24 20.146 0.545 0.947 239 HB1 ALA 24 HB1 ALA 24 22.343 -0.518 1.085 240 HB2 ALA 24 HB2 ALA 24 21.658 -2.024 0.475 241 HB3 ALA 24 HB3 ALA 24 21.152 -1.400 2.044 Start of MODEL 9 1 H1 LYS 1 H1 LYS 1 -17.087 -2.678 -16.322 2 H2 LYS 1 H2 LYS 1 -17.740 -2.381 -14.789 3 H3 LYS 1 H3 LYS 1 -16.222 -1.740 -15.202 4 HA LYS 1 HA LYS 1 -17.228 -0.345 -16.882 5 HB2 LYS 1 HB2 LYS 1 -19.809 -1.502 -15.805 6 HB3 LYS 1 HB3 LYS 1 -19.703 -0.164 -16.938 7 HG2 LYS 1 HG2 LYS 1 -18.665 -1.628 -18.585 8 HG3 LYS 1 HG3 LYS 1 -18.745 -2.971 -17.442 9 HD2 LYS 1 HD2 LYS 1 -21.146 -1.447 -18.451 10 HD3 LYS 1 HD3 LYS 1 -20.570 -2.969 -19.137 11 HE2 LYS 1 HE2 LYS 1 -20.911 -4.068 -16.980 12 HE3 LYS 1 HE3 LYS 1 -21.472 -2.546 -16.285 13 HZ1 LYS 1 HZ1 LYS 1 -22.775 -3.885 -18.592 14 HZ2 LYS 1 HZ2 LYS 1 -23.363 -2.570 -17.700 15 HZ3 LYS 1 HZ3 LYS 1 -23.266 -4.099 -16.983 16 H LYS 2 H LYS 2 -17.335 -0.996 -13.585 17 HA LYS 2 HA LYS 2 -18.455 1.636 -12.924 18 HB2 LYS 2 HB2 LYS 2 -17.990 -0.789 -11.180 19 HB3 LYS 2 HB3 LYS 2 -18.677 0.735 -10.634 20 HG2 LYS 2 HG2 LYS 2 -20.572 0.419 -12.158 21 HG3 LYS 2 HG3 LYS 2 -19.884 -1.123 -12.676 22 HD2 LYS 2 HD2 LYS 2 -21.647 -1.401 -10.968 23 HD3 LYS 2 HD3 LYS 2 -20.080 -2.003 -10.423 24 HE2 LYS 2 HE2 LYS 2 -21.157 -0.755 -8.648 25 HE3 LYS 2 HE3 LYS 2 -19.715 0.094 -9.201 26 HZ1 LYS 2 HZ1 LYS 2 -21.448 1.293 -10.727 27 HZ2 LYS 2 HZ2 LYS 2 -21.204 1.795 -9.127 28 HZ3 LYS 2 HZ3 LYS 2 -22.540 0.822 -9.516 29 H LEU 3 H LEU 3 -15.520 0.405 -13.562 30 HA LEU 3 HA LEU 3 -14.246 2.039 -11.472 31 HB2 LEU 3 HB2 LEU 3 -13.857 -0.357 -11.108 32 HB3 LEU 3 HB3 LEU 3 -13.190 -0.494 -12.723 33 HG LEU 3 HG LEU 3 -11.333 0.994 -12.086 34 HD11 LEU 3 HD11 LEU 3 -12.590 0.895 -9.349 35 HD12 LEU 3 HD12 LEU 3 -12.465 2.315 -10.390 36 HD13 LEU 3 HD13 LEU 3 -11.008 1.571 -9.724 37 HD21 LEU 3 HD21 LEU 3 -10.190 -0.569 -10.590 38 HD22 LEU 3 HD22 LEU 3 -11.065 -1.416 -11.864 39 HD23 LEU 3 HD23 LEU 3 -11.732 -1.352 -10.233 40 H LYS 4 H LYS 4 -13.623 3.852 -12.438 41 HA LYS 4 HA LYS 4 -11.906 3.554 -14.812 42 HB2 LYS 4 HB2 LYS 4 -12.613 5.809 -15.533 43 HB3 LYS 4 HB3 LYS 4 -13.939 4.658 -15.520 44 HG2 LYS 4 HG2 LYS 4 -14.713 5.594 -13.385 45 HG3 LYS 4 HG3 LYS 4 -13.396 6.772 -13.440 46 HD2 LYS 4 HD2 LYS 4 -14.277 7.638 -15.564 47 HD3 LYS 4 HD3 LYS 4 -15.606 6.481 -15.477 48 HE2 LYS 4 HE2 LYS 4 -15.029 8.673 -13.488 49 HE3 LYS 4 HE3 LYS 4 -16.287 8.707 -14.722 50 HZ1 LYS 4 HZ1 LYS 4 -16.111 6.853 -12.407 51 HZ2 LYS 4 HZ2 LYS 4 -17.271 6.730 -13.641 52 HZ3 LYS 4 HZ3 LYS 4 -17.244 8.095 -12.633 53 H LEU 5 H LEU 5 -11.537 3.658 -11.833 54 HA LEU 5 HA LEU 5 -9.650 5.907 -11.693 55 HB2 LEU 5 HB2 LEU 5 -10.993 4.373 -9.461 56 HB3 LEU 5 HB3 LEU 5 -9.803 5.640 -9.234 57 HG LEU 5 HG LEU 5 -12.499 6.045 -10.531 58 HD11 LEU 5 HD11 LEU 5 -11.573 6.725 -7.748 59 HD12 LEU 5 HD12 LEU 5 -12.713 5.447 -8.169 60 HD13 LEU 5 HD13 LEU 5 -13.134 7.137 -8.454 61 HD21 LEU 5 HD21 LEU 5 -11.977 8.434 -10.156 62 HD22 LEU 5 HD22 LEU 5 -10.878 7.656 -11.297 63 HD23 LEU 5 HD23 LEU 5 -10.358 7.967 -9.641 64 H ALA 6 H ALA 6 -7.579 5.380 -11.720 65 HA ALA 6 HA ALA 6 -6.849 2.583 -11.151 66 HB1 ALA 6 HB1 ALA 6 -5.392 4.580 -12.872 67 HB2 ALA 6 HB2 ALA 6 -6.441 3.291 -13.465 68 HB3 ALA 6 HB3 ALA 6 -4.944 2.896 -12.619 69 HA PRO 7 HA PRO 7 -4.622 4.792 -7.877 70 HB2 PRO 7 HB2 PRO 7 -5.409 3.295 -5.828 71 HB3 PRO 7 HB3 PRO 7 -6.516 4.450 -6.579 72 HG2 PRO 7 HG2 PRO 7 -6.450 1.491 -6.782 73 HG3 PRO 7 HG3 PRO 7 -7.828 2.597 -6.884 74 HD2 PRO 7 HD2 PRO 7 -6.382 1.418 -9.044 75 HD3 PRO 7 HD3 PRO 7 -7.693 2.611 -9.139 76 H ALA 8 H ALA 8 -3.608 2.616 -9.679 77 HA ALA 8 HA ALA 8 -2.475 0.490 -8.273 78 HB1 ALA 8 HB1 ALA 8 -2.656 0.539 -10.706 79 HB2 ALA 8 HB2 ALA 8 -1.000 0.208 -10.200 80 HB3 ALA 8 HB3 ALA 8 -1.442 1.814 -10.778 81 H LYS 9 H LYS 9 -1.002 3.599 -9.196 82 HA LYS 9 HA LYS 9 1.384 2.996 -7.653 83 HB2 LYS 9 HB2 LYS 9 0.573 5.449 -9.225 84 HB3 LYS 9 HB3 LYS 9 2.133 5.240 -8.443 85 HG2 LYS 9 HG2 LYS 9 1.048 3.453 -10.609 86 HG3 LYS 9 HG3 LYS 9 2.179 4.783 -10.867 87 HD2 LYS 9 HD2 LYS 9 2.684 2.370 -9.125 88 HD3 LYS 9 HD3 LYS 9 3.310 2.602 -10.758 89 HE2 LYS 9 HE2 LYS 9 4.518 4.594 -10.012 90 HE3 LYS 9 HE3 LYS 9 3.893 4.365 -8.380 91 HZ1 LYS 9 HZ1 LYS 9 6.094 3.493 -8.491 92 HZ2 LYS 9 HZ2 LYS 9 5.724 2.556 -9.855 93 HZ3 LYS 9 HZ3 LYS 9 5.025 2.182 -8.358 94 H LEU 10 H LEU 10 -1.542 3.797 -6.653 95 HA LEU 10 HA LEU 10 -0.639 5.847 -4.740 96 HB2 LEU 10 HB2 LEU 10 -2.515 6.529 -6.165 97 HB3 LEU 10 HB3 LEU 10 -3.443 5.146 -5.617 98 HG LEU 10 HG LEU 10 -3.421 6.078 -3.320 99 HD11 LEU 10 HD11 LEU 10 -2.082 8.421 -4.658 100 HD12 LEU 10 HD12 LEU 10 -1.393 7.377 -3.415 101 HD13 LEU 10 HD13 LEU 10 -2.750 8.435 -3.027 102 HD21 LEU 10 HD21 LEU 10 -4.504 7.929 -5.442 103 HD22 LEU 10 HD22 LEU 10 -5.033 7.859 -3.761 104 HD23 LEU 10 HD23 LEU 10 -5.300 6.480 -4.829 105 H ALA 11 H ALA 11 -2.525 2.854 -5.019 106 HA ALA 11 HA ALA 11 -2.871 2.639 -2.165 107 HB1 ALA 11 HB1 ALA 11 -3.479 0.638 -4.342 108 HB2 ALA 11 HB2 ALA 11 -4.600 1.846 -3.712 109 HB3 ALA 11 HB3 ALA 11 -4.018 0.551 -2.666 110 H LEU 12 H LEU 12 -0.759 1.264 -4.605 111 HA LEU 12 HA LEU 12 0.336 -0.665 -2.729 112 HB2 LEU 12 HB2 LEU 12 -0.119 -1.130 -5.179 113 HB3 LEU 12 HB3 LEU 12 1.247 -0.096 -5.544 114 HG LEU 12 HG LEU 12 2.710 -1.628 -4.248 115 HD11 LEU 12 HD11 LEU 12 0.208 -3.295 -4.078 116 HD12 LEU 12 HD12 LEU 12 1.092 -2.574 -2.734 117 HD13 LEU 12 HD13 LEU 12 1.830 -3.862 -3.684 118 HD21 LEU 12 HD21 LEU 12 2.508 -1.839 -6.674 119 HD22 LEU 12 HD22 LEU 12 1.138 -2.930 -6.468 120 HD23 LEU 12 HD23 LEU 12 2.741 -3.411 -5.912 121 H LEU 13 H LEU 13 0.781 1.710 -1.650 122 HA LEU 13 HA LEU 13 3.143 3.027 -2.542 123 HB2 LEU 13 HB2 LEU 13 2.986 4.385 -0.600 124 HB3 LEU 13 HB3 LEU 13 1.358 4.119 -1.188 125 HG LEU 13 HG LEU 13 2.504 2.480 1.069 126 HD11 LEU 13 HD11 LEU 13 1.019 5.096 1.265 127 HD12 LEU 13 HD12 LEU 13 2.703 4.817 1.707 128 HD13 LEU 13 HD13 LEU 13 1.411 4.032 2.614 129 HD21 LEU 13 HD21 LEU 13 0.157 2.162 1.641 130 HD22 LEU 13 HD22 LEU 13 0.470 1.640 -0.015 131 HD23 LEU 13 HD23 LEU 13 -0.324 3.185 0.287 132 H TRP 14 H TRP 14 2.536 0.327 -0.482 133 HA TRP 14 HA TRP 14 4.765 0.388 1.182 134 HB2 TRP 14 HB2 TRP 14 3.268 -1.995 0.080 135 HB3 TRP 14 HB3 TRP 14 4.439 -2.071 1.393 136 HD1 TRP 14 HD1 TRP 14 3.746 -0.439 3.599 137 HE1 TRP 14 HE1 TRP 14 1.422 -0.150 4.664 138 HE3 TRP 14 HE3 TRP 14 0.869 -2.034 -0.312 139 HZ2 TRP 14 HZ2 TRP 14 -1.280 -0.544 3.930 140 HZ3 TRP 14 HZ3 TRP 14 -1.580 -2.048 -0.048 141 HH2 TRP 14 HH2 TRP 14 -2.629 -1.319 2.031 142 H LYS 15 H LYS 15 4.399 -0.993 -2.058 143 HA LYS 15 HA LYS 15 6.972 -2.219 -2.068 144 HB2 LYS 15 HB2 LYS 15 5.225 -1.513 -4.431 145 HB3 LYS 15 HB3 LYS 15 6.557 -2.663 -4.418 146 HG2 LYS 15 HG2 LYS 15 3.984 -2.922 -2.876 147 HG3 LYS 15 HG3 LYS 15 4.399 -3.786 -4.354 148 HD2 LYS 15 HD2 LYS 15 6.224 -4.914 -3.215 149 HD3 LYS 15 HD3 LYS 15 5.902 -3.993 -1.744 150 HE2 LYS 15 HE2 LYS 15 3.698 -5.007 -1.574 151 HE3 LYS 15 HE3 LYS 15 3.975 -5.893 -3.068 152 HZ1 LYS 15 HZ1 LYS 15 5.732 -7.122 -2.019 153 HZ2 LYS 15 HZ2 LYS 15 4.327 -7.245 -1.074 154 HZ3 LYS 15 HZ3 LYS 15 5.585 -6.214 -0.592 155 H ALA 16 H ALA 16 5.802 0.942 -2.744 156 HA ALA 16 HA ALA 16 8.113 1.722 -4.284 157 HB1 ALA 16 HB1 ALA 16 5.893 3.399 -3.122 158 HB2 ALA 16 HB2 ALA 16 5.938 2.722 -4.751 159 HB3 ALA 16 HB3 ALA 16 7.113 3.949 -4.273 160 H LEU 17 H LEU 17 6.887 2.209 -1.008 161 HA LEU 17 HA LEU 17 9.040 3.997 -0.323 162 HB2 LEU 17 HB2 LEU 17 6.920 2.744 1.422 163 HB3 LEU 17 HB3 LEU 17 8.002 4.036 1.900 164 HG LEU 17 HG LEU 17 5.867 4.216 -0.229 165 HD11 LEU 17 HD11 LEU 17 6.042 5.438 2.520 166 HD12 LEU 17 HD12 LEU 17 4.958 4.134 2.027 167 HD13 LEU 17 HD13 LEU 17 4.777 5.745 1.330 168 HD21 LEU 17 HD21 LEU 17 6.420 6.596 -0.305 169 HD22 LEU 17 HD22 LEU 17 7.805 5.605 -0.774 170 HD23 LEU 17 HD23 LEU 17 7.738 6.331 0.833 171 H ALA 18 H ALA 18 8.042 0.737 0.745 172 HA ALA 18 HA ALA 18 10.081 0.493 2.681 173 HB1 ALA 18 HB1 ALA 18 8.544 -1.707 1.315 174 HB2 ALA 18 HB2 ALA 18 8.012 -0.813 2.737 175 HB3 ALA 18 HB3 ALA 18 9.441 -1.842 2.827 176 H LEU 19 H LEU 19 9.916 -0.483 -0.700 177 HA LEU 19 HA LEU 19 12.321 -2.020 -0.597 178 HB2 LEU 19 HB2 LEU 19 10.573 -1.040 -2.821 179 HB3 LEU 19 HB3 LEU 19 12.129 -1.762 -3.171 180 HG LEU 19 HG LEU 19 10.428 -3.441 -3.417 181 HD11 LEU 19 HD11 LEU 19 11.201 -5.117 -1.807 182 HD12 LEU 19 HD12 LEU 19 11.966 -3.842 -0.857 183 HD13 LEU 19 HD13 LEU 19 12.535 -4.190 -2.490 184 HD21 LEU 19 HD21 LEU 19 8.707 -2.408 -2.000 185 HD22 LEU 19 HD22 LEU 19 9.628 -2.864 -0.567 186 HD23 LEU 19 HD23 LEU 19 8.949 -4.111 -1.612 187 H LYS 20 H LYS 20 11.715 1.309 -0.704 188 HA LYS 20 HA LYS 20 14.381 1.850 -1.784 189 HB2 LYS 20 HB2 LYS 20 12.108 3.699 -1.060 190 HB3 LYS 20 HB3 LYS 20 13.713 4.274 -1.499 191 HG2 LYS 20 HG2 LYS 20 11.808 2.706 -3.221 192 HG3 LYS 20 HG3 LYS 20 12.317 4.383 -3.433 193 HD2 LYS 20 HD2 LYS 20 14.621 3.625 -3.818 194 HD3 LYS 20 HD3 LYS 20 14.101 1.950 -3.624 195 HE2 LYS 20 HE2 LYS 20 14.261 2.419 -5.962 196 HE3 LYS 20 HE3 LYS 20 12.553 2.285 -5.549 197 HZ1 LYS 20 HZ1 LYS 20 12.971 4.162 -7.004 198 HZ2 LYS 20 HZ2 LYS 20 14.064 4.820 -5.890 199 HZ3 LYS 20 HZ3 LYS 20 12.418 4.698 -5.494 200 H LEU 21 H LEU 21 12.545 1.895 1.170 201 HA LEU 21 HA LEU 21 14.447 3.195 2.797 202 HB2 LEU 21 HB2 LEU 21 12.382 1.101 3.493 203 HB3 LEU 21 HB3 LEU 21 13.304 2.010 4.674 204 HG LEU 21 HG LEU 21 11.375 3.219 2.689 205 HD11 LEU 21 HD11 LEU 21 11.092 2.696 5.643 206 HD12 LEU 21 HD12 LEU 21 10.222 1.869 4.349 207 HD13 LEU 21 HD13 LEU 21 9.947 3.587 4.643 208 HD21 LEU 21 HD21 LEU 21 11.649 5.251 4.028 209 HD22 LEU 21 HD22 LEU 21 13.180 4.741 3.316 210 HD23 LEU 21 HD23 LEU 21 12.856 4.435 5.023 211 H LYS 22 H LYS 22 13.761 -0.295 2.463 212 HA LYS 22 HA LYS 22 16.282 -0.920 3.734 213 HB2 LYS 22 HB2 LYS 22 14.213 -2.744 2.509 214 HB3 LYS 22 HB3 LYS 22 15.591 -3.264 3.466 215 HG2 LYS 22 HG2 LYS 22 14.665 -1.934 5.369 216 HG3 LYS 22 HG3 LYS 22 13.219 -1.668 4.389 217 HD2 LYS 22 HD2 LYS 22 12.955 -4.123 4.197 218 HD3 LYS 22 HD3 LYS 22 14.331 -4.321 5.288 219 HE2 LYS 22 HE2 LYS 22 13.094 -3.016 6.995 220 HE3 LYS 22 HE3 LYS 22 11.702 -2.981 5.911 221 HZ1 LYS 22 HZ1 LYS 22 11.362 -4.751 7.400 222 HZ2 LYS 22 HZ2 LYS 22 12.941 -5.336 7.212 223 HZ3 LYS 22 HZ3 LYS 22 11.829 -5.474 5.935 224 H LYS 23 H LYS 23 15.126 -0.424 0.587 225 HA LYS 23 HA LYS 23 16.075 -0.493 -1.464 226 HB2 LYS 23 HB2 LYS 23 18.575 -0.879 0.178 227 HB3 LYS 23 HB3 LYS 23 18.596 -0.727 -1.575 228 HG2 LYS 23 HG2 LYS 23 17.731 1.485 -1.472 229 HG3 LYS 23 HG3 LYS 23 17.387 1.335 0.251 230 HD2 LYS 23 HD2 LYS 23 20.159 1.180 -0.921 231 HD3 LYS 23 HD3 LYS 23 19.437 2.668 -0.310 232 HE2 LYS 23 HE2 LYS 23 19.938 0.148 1.268 233 HE3 LYS 23 HE3 LYS 23 20.864 1.643 1.375 234 HZ1 LYS 23 HZ1 LYS 23 18.745 2.746 2.060 235 HZ2 LYS 23 HZ2 LYS 23 19.344 1.620 3.174 236 HZ3 LYS 23 HZ3 LYS 23 18.040 1.212 2.177 237 H ALA 24 H ALA 24 15.212 -2.948 0.058 238 HA ALA 24 HA ALA 24 14.942 -5.164 -0.288 239 HB1 ALA 24 HB1 ALA 24 15.123 -5.999 -2.571 240 HB2 ALA 24 HB2 ALA 24 15.987 -4.537 -3.050 241 HB3 ALA 24 HB3 ALA 24 14.303 -4.437 -2.531 Start of MODEL 10 1 H1 LYS 1 H1 LYS 1 -5.918 -7.670 -3.595 2 H2 LYS 1 H2 LYS 1 -7.487 -7.049 -3.741 3 H3 LYS 1 H3 LYS 1 -7.226 -8.513 -2.927 4 HA LYS 1 HA LYS 1 -7.634 -6.702 -1.398 5 HB2 LYS 1 HB2 LYS 1 -4.891 -7.948 -1.430 6 HB3 LYS 1 HB3 LYS 1 -5.456 -6.957 -0.093 7 HG2 LYS 1 HG2 LYS 1 -6.758 -9.502 -1.056 8 HG3 LYS 1 HG3 LYS 1 -5.725 -9.339 0.367 9 HD2 LYS 1 HD2 LYS 1 -7.319 -7.743 1.330 10 HD3 LYS 1 HD3 LYS 1 -8.358 -7.939 -0.081 11 HE2 LYS 1 HE2 LYS 1 -7.578 -10.149 1.818 12 HE3 LYS 1 HE3 LYS 1 -9.106 -9.274 1.861 13 HZ1 LYS 1 HZ1 LYS 1 -9.584 -10.075 -0.371 14 HZ2 LYS 1 HZ2 LYS 1 -9.345 -11.369 0.705 15 HZ3 LYS 1 HZ3 LYS 1 -8.124 -10.942 -0.394 16 H LYS 2 H LYS 2 -7.901 -4.657 -2.133 17 HA LYS 2 HA LYS 2 -5.470 -3.010 -2.188 18 HB2 LYS 2 HB2 LYS 2 -7.694 -2.990 -4.226 19 HB3 LYS 2 HB3 LYS 2 -6.607 -1.628 -4.005 20 HG2 LYS 2 HG2 LYS 2 -5.780 -4.422 -4.766 21 HG3 LYS 2 HG3 LYS 2 -5.925 -3.051 -5.868 22 HD2 LYS 2 HD2 LYS 2 -4.204 -1.857 -4.545 23 HD3 LYS 2 HD3 LYS 2 -4.025 -3.289 -3.529 24 HE2 LYS 2 HE2 LYS 2 -3.548 -3.189 -6.506 25 HE3 LYS 2 HE3 LYS 2 -2.290 -3.131 -5.272 26 HZ1 LYS 2 HZ1 LYS 2 -2.809 -5.315 -4.582 27 HZ2 LYS 2 HZ2 LYS 2 -2.680 -5.360 -6.272 28 HZ3 LYS 2 HZ3 LYS 2 -4.206 -5.376 -5.536 29 H LEU 3 H LEU 3 -7.866 -3.626 -0.366 30 HA LEU 3 HA LEU 3 -8.590 -0.815 0.117 31 HB2 LEU 3 HB2 LEU 3 -10.493 -2.051 -0.833 32 HB3 LEU 3 HB3 LEU 3 -10.371 -3.229 0.459 33 HG LEU 3 HG LEU 3 -10.931 -1.471 2.098 34 HD11 LEU 3 HD11 LEU 3 -11.370 0.263 -0.333 35 HD12 LEU 3 HD12 LEU 3 -10.079 0.459 0.854 36 HD13 LEU 3 HD13 LEU 3 -11.762 0.689 1.333 37 HD21 LEU 3 HD21 LEU 3 -12.698 -2.880 1.206 38 HD22 LEU 3 HD22 LEU 3 -12.902 -1.786 -0.164 39 HD23 LEU 3 HD23 LEU 3 -13.293 -1.239 1.467 40 H LYS 4 H LYS 4 -7.252 -0.378 1.782 41 HA LYS 4 HA LYS 4 -7.615 -1.981 4.223 42 HB2 LYS 4 HB2 LYS 4 -5.148 -0.573 3.204 43 HB3 LYS 4 HB3 LYS 4 -5.321 -1.068 4.881 44 HG2 LYS 4 HG2 LYS 4 -5.549 -3.400 4.155 45 HG3 LYS 4 HG3 LYS 4 -5.351 -2.884 2.477 46 HD2 LYS 4 HD2 LYS 4 -3.121 -2.124 2.903 47 HD3 LYS 4 HD3 LYS 4 -3.306 -2.372 4.638 48 HE2 LYS 4 HE2 LYS 4 -3.364 -4.545 2.549 49 HE3 LYS 4 HE3 LYS 4 -1.977 -4.143 3.561 50 HZ1 LYS 4 HZ1 LYS 4 -3.398 -4.645 5.513 51 HZ2 LYS 4 HZ2 LYS 4 -3.103 -5.990 4.522 52 HZ3 LYS 4 HZ3 LYS 4 -4.600 -5.204 4.454 53 H LEU 5 H LEU 5 -9.136 0.285 3.213 54 HA LEU 5 HA LEU 5 -10.067 2.241 3.854 55 HB2 LEU 5 HB2 LEU 5 -10.189 1.155 6.064 56 HB3 LEU 5 HB3 LEU 5 -8.600 1.788 6.453 57 HG LEU 5 HG LEU 5 -9.503 4.095 6.264 58 HD11 LEU 5 HD11 LEU 5 -11.915 4.429 6.194 59 HD12 LEU 5 HD12 LEU 5 -12.157 2.695 5.985 60 HD13 LEU 5 HD13 LEU 5 -11.343 3.629 4.729 61 HD21 LEU 5 HD21 LEU 5 -10.792 4.039 8.341 62 HD22 LEU 5 HD22 LEU 5 -9.362 3.012 8.434 63 HD23 LEU 5 HD23 LEU 5 -10.953 2.289 8.195 64 H ALA 6 H ALA 6 -9.320 3.819 2.650 65 HA ALA 6 HA ALA 6 -8.028 5.469 1.786 66 HB1 ALA 6 HB1 ALA 6 -6.819 6.891 3.331 67 HB2 ALA 6 HB2 ALA 6 -6.890 5.643 4.575 68 HB3 ALA 6 HB3 ALA 6 -8.373 6.425 4.025 69 HA PRO 7 HA PRO 7 -4.470 2.410 1.563 70 HB2 PRO 7 HB2 PRO 7 -5.200 2.154 -1.262 71 HB3 PRO 7 HB3 PRO 7 -5.008 0.894 -0.041 72 HG2 PRO 7 HG2 PRO 7 -7.421 1.566 -1.029 73 HG3 PRO 7 HG3 PRO 7 -7.199 1.043 0.652 74 HD2 PRO 7 HD2 PRO 7 -7.514 3.818 -0.442 75 HD3 PRO 7 HD3 PRO 7 -8.242 3.089 1.007 76 H ALA 8 H ALA 8 -5.533 4.996 -0.560 77 HA ALA 8 HA ALA 8 -2.870 5.404 -1.643 78 HB1 ALA 8 HB1 ALA 8 -3.881 7.193 -2.937 79 HB2 ALA 8 HB2 ALA 8 -5.376 7.045 -2.016 80 HB3 ALA 8 HB3 ALA 8 -4.854 5.727 -3.066 81 H LYS 9 H LYS 9 -4.312 6.089 1.203 82 HA LYS 9 HA LYS 9 -2.948 8.673 1.535 83 HB2 LYS 9 HB2 LYS 9 -5.373 8.724 1.908 84 HB3 LYS 9 HB3 LYS 9 -5.219 7.466 3.126 85 HG2 LYS 9 HG2 LYS 9 -3.828 9.001 4.472 86 HG3 LYS 9 HG3 LYS 9 -4.122 10.265 3.271 87 HD2 LYS 9 HD2 LYS 9 -6.541 10.042 3.661 88 HD3 LYS 9 HD3 LYS 9 -6.212 8.832 4.905 89 HE2 LYS 9 HE2 LYS 9 -4.925 10.508 6.166 90 HE3 LYS 9 HE3 LYS 9 -5.315 11.713 4.936 91 HZ1 LYS 9 HZ1 LYS 9 -6.792 11.911 6.816 92 HZ2 LYS 9 HZ2 LYS 9 -7.263 10.287 6.670 93 HZ3 LYS 9 HZ3 LYS 9 -7.670 11.401 5.454 94 H LEU 10 H LEU 10 -3.699 5.668 3.316 95 HA LEU 10 HA LEU 10 -1.705 6.267 5.308 96 HB2 LEU 10 HB2 LEU 10 -3.807 5.116 5.871 97 HB3 LEU 10 HB3 LEU 10 -3.330 3.764 4.860 98 HG LEU 10 HG LEU 10 -1.388 3.377 6.347 99 HD11 LEU 10 HD11 LEU 10 -1.329 4.482 8.533 100 HD12 LEU 10 HD12 LEU 10 -2.653 5.531 8.030 101 HD13 LEU 10 HD13 LEU 10 -1.096 5.622 7.208 102 HD21 LEU 10 HD21 LEU 10 -2.674 2.470 8.227 103 HD22 LEU 10 HD22 LEU 10 -3.434 2.116 6.674 104 HD23 LEU 10 HD23 LEU 10 -4.081 3.395 7.702 105 H ALA 11 H ALA 11 -2.146 3.556 3.034 106 HA ALA 11 HA ALA 11 0.497 2.578 3.410 107 HB1 ALA 11 HB1 ALA 11 -1.409 1.987 1.146 108 HB2 ALA 11 HB2 ALA 11 -1.386 1.151 2.697 109 HB3 ALA 11 HB3 ALA 11 0.001 1.037 1.614 110 H LEU 12 H LEU 12 -1.066 4.158 0.626 111 HA LEU 12 HA LEU 12 -0.250 5.354 -1.120 112 HB2 LEU 12 HB2 LEU 12 0.146 6.939 0.714 113 HB3 LEU 12 HB3 LEU 12 1.736 6.251 0.973 114 HG LEU 12 HG LEU 12 2.433 7.027 -1.256 115 HD11 LEU 12 HD11 LEU 12 -0.310 8.274 -1.355 116 HD12 LEU 12 HD12 LEU 12 0.289 6.975 -2.385 117 HD13 LEU 12 HD13 LEU 12 0.999 8.585 -2.496 118 HD21 LEU 12 HD21 LEU 12 1.241 9.176 0.495 119 HD22 LEU 12 HD22 LEU 12 2.486 9.421 -0.732 120 HD23 LEU 12 HD23 LEU 12 2.830 8.436 0.692 121 H LEU 13 H LEU 13 0.362 3.105 -1.849 122 HA LEU 13 HA LEU 13 1.758 1.638 -2.873 123 HB2 LEU 13 HB2 LEU 13 3.264 4.214 -3.332 124 HB3 LEU 13 HB3 LEU 13 3.767 2.688 -4.028 125 HG LEU 13 HG LEU 13 2.603 3.823 -5.724 126 HD11 LEU 13 HD11 LEU 13 0.673 1.862 -4.494 127 HD12 LEU 13 HD12 LEU 13 2.033 1.462 -5.543 128 HD13 LEU 13 HD13 LEU 13 0.680 2.403 -6.173 129 HD21 LEU 13 HD21 LEU 13 0.374 4.780 -5.475 130 HD22 LEU 13 HD22 LEU 13 1.509 5.516 -4.347 131 HD23 LEU 13 HD23 LEU 13 0.354 4.313 -3.774 132 H TRP 14 H TRP 14 1.973 1.200 -0.372 133 HA TRP 14 HA TRP 14 4.199 1.797 1.112 134 HB2 TRP 14 HB2 TRP 14 2.163 0.623 1.926 135 HB3 TRP 14 HB3 TRP 14 2.725 -0.841 1.131 136 HD1 TRP 14 HD1 TRP 14 4.927 -2.042 2.199 137 HE1 TRP 14 HE1 TRP 14 5.867 -1.998 4.598 138 HE3 TRP 14 HE3 TRP 14 2.415 2.047 3.973 139 HZ2 TRP 14 HZ2 TRP 14 5.571 -0.436 6.935 140 HZ3 TRP 14 HZ3 TRP 14 2.798 2.748 6.303 141 HH2 TRP 14 HH2 TRP 14 4.344 1.528 7.751 142 H LYS 15 H LYS 15 3.820 -0.864 -1.197 143 HA LYS 15 HA LYS 15 6.224 -2.177 -0.571 144 HB2 LYS 15 HB2 LYS 15 4.581 -2.195 -3.107 145 HB3 LYS 15 HB3 LYS 15 5.940 -3.269 -2.806 146 HG2 LYS 15 HG2 LYS 15 3.400 -3.134 -1.193 147 HG3 LYS 15 HG3 LYS 15 3.834 -4.389 -2.353 148 HD2 LYS 15 HD2 LYS 15 5.755 -5.004 -0.983 149 HD3 LYS 15 HD3 LYS 15 5.346 -3.732 0.170 150 HE2 LYS 15 HE2 LYS 15 4.573 -5.867 0.999 151 HE3 LYS 15 HE3 LYS 15 3.192 -4.849 0.594 152 HZ1 LYS 15 HZ1 LYS 15 4.293 -6.957 -1.189 153 HZ2 LYS 15 HZ2 LYS 15 2.865 -6.067 -1.421 154 HZ3 LYS 15 HZ3 LYS 15 2.971 -7.179 -0.148 155 H ALA 16 H ALA 16 5.559 0.582 -2.591 156 HA ALA 16 HA ALA 16 7.991 0.495 -4.080 157 HB1 ALA 16 HB1 ALA 16 6.053 1.730 -4.895 158 HB2 ALA 16 HB2 ALA 16 7.449 2.793 -4.716 159 HB3 ALA 16 HB3 ALA 16 6.157 2.822 -3.513 160 H LEU 17 H LEU 17 6.905 2.312 -1.226 161 HA LEU 17 HA LEU 17 9.394 3.566 -0.737 162 HB2 LEU 17 HB2 LEU 17 7.013 3.008 1.020 163 HB3 LEU 17 HB3 LEU 17 8.458 3.769 1.651 164 HG LEU 17 HG LEU 17 6.870 5.480 1.180 165 HD11 LEU 17 HD11 LEU 17 8.953 5.436 -0.993 166 HD12 LEU 17 HD12 LEU 17 9.176 6.023 0.654 167 HD13 LEU 17 HD13 LEU 17 8.068 6.856 -0.435 168 HD21 LEU 17 HD21 LEU 17 6.698 4.387 -1.623 169 HD22 LEU 17 HD22 LEU 17 5.901 5.844 -1.023 170 HD23 LEU 17 HD23 LEU 17 5.452 4.264 -0.381 171 H ALA 18 H ALA 18 7.995 0.507 0.208 172 HA ALA 18 HA ALA 18 9.904 -0.246 2.135 173 HB1 ALA 18 HB1 ALA 18 8.224 -1.999 0.345 174 HB2 ALA 18 HB2 ALA 18 7.750 -1.359 1.918 175 HB3 ALA 18 HB3 ALA 18 9.074 -2.521 1.801 176 H LEU 19 H LEU 19 9.988 -0.253 -1.340 177 HA LEU 19 HA LEU 19 12.136 -2.060 -1.688 178 HB2 LEU 19 HB2 LEU 19 11.202 0.260 -3.378 179 HB3 LEU 19 HB3 LEU 19 12.476 -0.840 -3.866 180 HG LEU 19 HG LEU 19 9.612 -1.628 -3.320 181 HD11 LEU 19 HD11 LEU 19 9.826 -0.284 -5.346 182 HD12 LEU 19 HD12 LEU 19 9.466 -1.966 -5.735 183 HD13 LEU 19 HD13 LEU 19 11.107 -1.350 -5.926 184 HD21 LEU 19 HD21 LEU 19 10.279 -3.788 -4.276 185 HD22 LEU 19 HD22 LEU 19 11.183 -3.416 -2.808 186 HD23 LEU 19 HD23 LEU 19 11.946 -3.220 -4.385 187 H LYS 20 H LYS 20 12.087 1.510 -1.575 188 HA LYS 20 HA LYS 20 14.954 1.632 -1.571 189 HB2 LYS 20 HB2 LYS 20 14.698 4.035 -1.386 190 HB3 LYS 20 HB3 LYS 20 13.604 3.409 -2.608 191 HG2 LYS 20 HG2 LYS 20 11.747 3.558 -1.025 192 HG3 LYS 20 HG3 LYS 20 12.848 4.189 0.201 193 HD2 LYS 20 HD2 LYS 20 12.201 5.483 -2.450 194 HD3 LYS 20 HD3 LYS 20 11.620 6.003 -0.865 195 HE2 LYS 20 HE2 LYS 20 13.816 6.601 -0.169 196 HE3 LYS 20 HE3 LYS 20 14.540 5.834 -1.582 197 HZ1 LYS 20 HZ1 LYS 20 13.372 7.496 -2.962 198 HZ2 LYS 20 HZ2 LYS 20 14.503 8.182 -1.907 199 HZ3 LYS 20 HZ3 LYS 20 12.849 8.280 -1.551 200 H LEU 21 H LEU 21 12.591 1.162 0.807 201 HA LEU 21 HA LEU 21 13.967 2.216 3.055 202 HB2 LEU 21 HB2 LEU 21 11.518 1.454 2.878 203 HB3 LEU 21 HB3 LEU 21 12.123 -0.176 3.076 204 HG LEU 21 HG LEU 21 11.201 0.933 5.148 205 HD11 LEU 21 HD11 LEU 21 14.061 -0.005 5.259 206 HD12 LEU 21 HD12 LEU 21 12.629 -1.032 5.288 207 HD13 LEU 21 HD13 LEU 21 12.944 0.079 6.621 208 HD21 LEU 21 HD21 LEU 21 12.144 3.157 4.739 209 HD22 LEU 21 HD22 LEU 21 13.763 2.504 4.991 210 HD23 LEU 21 HD23 LEU 21 12.602 2.520 6.318 211 H LYS 22 H LYS 22 13.831 -1.013 1.572 212 HA LYS 22 HA LYS 22 15.783 -2.211 3.250 213 HB2 LYS 22 HB2 LYS 22 15.048 -2.908 0.397 214 HB3 LYS 22 HB3 LYS 22 15.913 -3.946 1.518 215 HG2 LYS 22 HG2 LYS 22 13.961 -4.174 2.898 216 HG3 LYS 22 HG3 LYS 22 13.087 -2.988 1.922 217 HD2 LYS 22 HD2 LYS 22 13.257 -4.462 -0.023 218 HD3 LYS 22 HD3 LYS 22 14.132 -5.645 0.949 219 HE2 LYS 22 HE2 LYS 22 11.768 -6.243 0.693 220 HE3 LYS 22 HE3 LYS 22 12.194 -5.946 2.377 221 HZ1 LYS 22 HZ1 LYS 22 10.036 -4.960 1.485 222 HZ2 LYS 22 HZ2 LYS 22 11.017 -3.815 0.710 223 HZ3 LYS 22 HZ3 LYS 22 11.045 -3.952 2.396 224 H LYS 23 H LYS 23 15.887 -0.206 0.448 225 HA LYS 23 HA LYS 23 18.620 -0.859 -0.254 226 HB2 LYS 23 HB2 LYS 23 16.638 -0.373 -1.836 227 HB3 LYS 23 HB3 LYS 23 16.914 1.316 -1.441 228 HG2 LYS 23 HG2 LYS 23 19.115 1.239 -2.387 229 HG3 LYS 23 HG3 LYS 23 18.988 -0.508 -2.645 230 HD2 LYS 23 HD2 LYS 23 17.039 -0.084 -4.132 231 HD3 LYS 23 HD3 LYS 23 17.330 1.647 -3.949 232 HE2 LYS 23 HE2 LYS 23 19.505 1.432 -4.973 233 HE3 LYS 23 HE3 LYS 23 19.319 -0.323 -5.061 234 HZ1 LYS 23 HZ1 LYS 23 17.553 1.629 -6.435 235 HZ2 LYS 23 HZ2 LYS 23 17.514 -0.059 -6.597 236 HZ3 LYS 23 HZ3 LYS 23 18.844 0.819 -7.176 237 H ALA 24 H ALA 24 17.517 0.798 2.205 238 HA ALA 24 HA ALA 24 19.320 3.098 1.889 239 HB1 ALA 24 HB1 ALA 24 18.070 4.151 3.703 240 HB2 ALA 24 HB2 ALA 24 17.053 2.717 3.844 241 HB3 ALA 24 HB3 ALA 24 17.002 3.695 2.378
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