NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
4545 | 1fa4 | 4738 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLU 1 HT1 GLU 1 4.458 16.728 3.894 2 2H GLU 1 HT2 GLU 1 3.363 17.599 2.929 3 3H GLU 1 HT3 GLU 1 3.989 16.117 2.384 4 HA GLU 1 HA GLU 1 2.551 16.112 4.926 5 1HB GLU 1 HB2 GLU 1 0.390 16.023 3.835 6 2HB GLU 1 HB1 GLU 1 1.186 17.517 3.341 7 1HG GLU 1 HG2 GLU 1 2.098 15.898 1.395 8 2HG GLU 1 HG1 GLU 1 0.573 15.081 1.744 9 H THR 2 HN THR 2 0.747 14.115 4.000 10 HA THR 2 HA THR 2 2.687 11.932 3.355 11 HB THR 2 HB THR 2 1.581 11.804 5.598 12 HG1 THR 2 HG1 THR 2 0.727 9.825 3.757 13 1HG2 THR 2 1HG2 THR 2 -0.862 11.170 5.569 14 2HG2 THR 2 2HG2 THR 2 -0.900 11.651 3.873 15 3HG2 THR 2 3HG2 THR 2 -0.538 12.844 5.120 16 H TYR 3 HN TYR 3 1.854 10.189 1.976 17 HA TYR 3 HA TYR 3 0.003 11.253 -0.080 18 1HB TYR 3 HB2 TYR 3 1.852 8.854 -0.007 19 2HB TYR 3 HB1 TYR 3 0.743 9.174 -1.340 20 HD1 TYR 3 HD1 TYR 3 1.313 10.706 -3.045 21 HD2 TYR 3 HD2 TYR 3 3.525 10.689 0.637 22 HE1 TYR 3 HE1 TYR 3 2.947 12.297 -4.019 23 HE2 TYR 3 HE2 TYR 3 5.158 12.280 -0.336 24 HH TYR 3 HH TYR 3 5.466 13.770 -2.063 25 H THR 4 HN THR 4 -1.834 9.979 -0.794 26 HA THR 4 HA THR 4 -2.646 7.757 1.003 27 HB THR 4 HB THR 4 -4.539 10.024 0.354 28 HG1 THR 4 HG1 THR 4 -3.795 11.063 2.014 29 1HG2 THR 4 1HG2 THR 4 -6.018 8.963 1.800 30 2HG2 THR 4 2HG2 THR 4 -4.728 8.142 2.679 31 3HG2 THR 4 3HG2 THR 4 -5.202 7.576 1.077 32 H VAL 5 HN VAL 5 -3.724 6.160 -0.103 33 HA VAL 5 HA VAL 5 -4.508 6.779 -2.924 34 HB VAL 5 HB VAL 5 -4.213 4.059 -2.900 35 1HG1 VAL 5 1HG1 VAL 5 -1.928 4.562 -3.917 36 2HG1 VAL 5 2HG1 VAL 5 -2.221 6.252 -3.506 37 3HG1 VAL 5 3HG1 VAL 5 -3.292 5.420 -4.633 38 1HG2 VAL 5 1HG2 VAL 5 -2.163 5.240 -1.003 39 2HG2 VAL 5 2HG2 VAL 5 -1.987 3.667 -1.780 40 3HG2 VAL 5 3HG2 VAL 5 -3.314 3.950 -0.654 41 H LYS 6 HN LYS 6 -6.708 7.116 -2.678 42 HA LYS 6 HA LYS 6 -8.360 5.591 -0.867 43 1HB LYS 6 HB2 LYS 6 -8.723 7.920 -2.180 44 2HB LYS 6 HB1 LYS 6 -9.596 6.843 -3.269 45 1HG LYS 6 HG2 LYS 6 -10.723 5.927 -1.118 46 2HG LYS 6 HG1 LYS 6 -10.128 7.402 -0.355 47 1HD LYS 6 HD2 LYS 6 -11.449 8.789 -1.700 48 2HD LYS 6 HD1 LYS 6 -11.627 7.564 -2.957 49 1HE LYS 6 HE2 LYS 6 -13.334 6.485 -1.859 50 2HE LYS 6 HE1 LYS 6 -12.704 6.891 -0.263 51 1HZ LYS 6 HZ1 LYS 6 -14.825 8.063 -1.230 52 2HZ LYS 6 HZ2 LYS 6 -13.670 9.070 -1.963 53 3HZ LYS 6 HZ3 LYS 6 -13.715 8.914 -0.271 54 H LEU 7 HN LEU 7 -7.624 3.390 -1.531 55 HA LEU 7 HA LEU 7 -7.924 2.263 -4.078 56 1HB LEU 7 HB2 LEU 7 -8.556 0.146 -2.634 57 2HB LEU 7 HB1 LEU 7 -6.931 0.812 -2.556 58 HG LEU 7 HG LEU 7 -8.843 2.058 -0.693 59 1HD1 LEU 7 HD11 LEU 7 -8.561 -0.862 -0.844 60 2HD1 LEU 7 HD12 LEU 7 -9.739 0.109 0.040 61 3HD1 LEU 7 HD13 LEU 7 -8.151 -0.203 0.740 62 1HD2 LEU 7 HD21 LEU 7 -6.063 1.728 -1.015 63 2HD2 LEU 7 HD22 LEU 7 -6.479 0.813 0.435 64 3HD2 LEU 7 HD23 LEU 7 -6.884 2.526 0.326 65 H GLY 8 HN GLY 8 -9.683 1.593 -5.271 66 1HA GLY 8 HA2 GLY 8 -11.981 0.803 -5.479 67 2HA GLY 8 HA1 GLY 8 -12.356 1.608 -3.955 68 H SER 9 HN SER 9 -12.685 1.873 -7.261 69 HA SER 9 HA SER 9 -12.356 4.718 -7.616 70 1HB SER 9 HB2 SER 9 -13.573 4.385 -9.714 71 2HB SER 9 HB1 SER 9 -12.399 3.090 -9.500 72 HG SER 9 HG SER 9 -14.177 1.871 -8.564 73 H ASP 10 HN ASP 10 -15.482 3.128 -8.092 74 HA ASP 10 HA ASP 10 -16.980 4.020 -5.950 75 1HB ASP 10 HB2 ASP 10 -17.920 6.216 -6.996 76 2HB ASP 10 HB1 ASP 10 -16.375 6.288 -6.150 77 H LYS 11 HN LYS 11 -17.037 4.395 -9.504 78 HA LYS 11 HA LYS 11 -19.633 2.907 -9.492 79 1HB LYS 11 HB2 LYS 11 -18.678 5.085 -11.376 80 2HB LYS 11 HB1 LYS 11 -20.151 4.142 -11.608 81 1HG LYS 11 HG2 LYS 11 -21.274 5.460 -10.173 82 2HG LYS 11 HG1 LYS 11 -20.072 5.171 -8.915 83 1HD LYS 11 HD2 LYS 11 -18.627 6.877 -10.301 84 2HD LYS 11 HD1 LYS 11 -20.190 7.380 -10.944 85 1HE LYS 11 HE2 LYS 11 -20.998 7.614 -8.563 86 2HE LYS 11 HE1 LYS 11 -19.337 7.337 -8.039 87 1HZ LYS 11 HZ1 LYS 11 -18.617 9.260 -9.213 88 2HZ LYS 11 HZ2 LYS 11 -19.952 9.714 -8.266 89 3HZ LYS 11 HZ3 LYS 11 -20.135 9.471 -9.938 90 H GLY 12 HN GLY 12 -16.393 2.777 -10.324 91 1HA GLY 12 HA2 GLY 12 -16.864 1.044 -12.697 92 2HA GLY 12 HA1 GLY 12 -15.302 1.710 -12.216 93 H LEU 13 HN LEU 13 -13.988 0.475 -10.912 94 HA LEU 13 HA LEU 13 -15.197 -1.865 -9.524 95 1HB LEU 13 HB2 LEU 13 -13.636 -2.021 -11.897 96 2HB LEU 13 HB1 LEU 13 -12.630 -2.612 -10.575 97 HG LEU 13 HG LEU 13 -15.368 -3.587 -10.365 98 1HD1 LEU 13 HD11 LEU 13 -15.689 -4.633 -12.371 99 2HD1 LEU 13 HD12 LEU 13 -13.965 -4.921 -12.609 100 3HD1 LEU 13 HD13 LEU 13 -14.655 -3.340 -12.978 101 1HD2 LEU 13 HD21 LEU 13 -13.663 -5.735 -10.714 102 2HD2 LEU 13 HD22 LEU 13 -14.022 -4.966 -9.168 103 3HD2 LEU 13 HD23 LEU 13 -12.588 -4.491 -10.077 104 H LEU 14 HN LEU 14 -12.604 -2.907 -8.736 105 HA LEU 14 HA LEU 14 -11.914 -0.831 -6.717 106 1HB LEU 14 HB2 LEU 14 -11.470 -3.821 -6.849 107 2HB LEU 14 HB1 LEU 14 -10.704 -2.806 -5.629 108 HG LEU 14 HG LEU 14 -13.683 -3.116 -6.097 109 1HD1 LEU 14 HD11 LEU 14 -13.009 -3.676 -3.440 110 2HD1 LEU 14 HD12 LEU 14 -11.728 -4.436 -4.384 111 3HD1 LEU 14 HD13 LEU 14 -13.413 -4.858 -4.685 112 1HD2 LEU 14 HD21 LEU 14 -13.745 -1.707 -3.941 113 2HD2 LEU 14 HD22 LEU 14 -13.353 -0.852 -5.433 114 3HD2 LEU 14 HD23 LEU 14 -12.070 -1.288 -4.304 115 H VAL 15 HN VAL 15 -10.093 0.348 -7.073 116 HA VAL 15 HA VAL 15 -7.642 -0.946 -8.004 117 HB VAL 15 HB VAL 15 -7.384 0.665 -9.942 118 1HG1 VAL 15 1HG1 VAL 15 -9.814 -1.054 -10.381 119 2HG1 VAL 15 2HG1 VAL 15 -8.266 -1.807 -9.997 120 3HG1 VAL 15 3HG1 VAL 15 -8.426 -0.805 -11.440 121 1HG2 VAL 15 1HG2 VAL 15 -9.020 2.331 -9.415 122 2HG2 VAL 15 2HG2 VAL 15 -10.295 1.124 -9.251 123 3HG2 VAL 15 3HG2 VAL 15 -9.629 1.493 -10.842 124 H PHE 16 HN PHE 16 -5.995 0.051 -6.903 125 HA PHE 16 HA PHE 16 -6.281 2.120 -5.080 126 1HB PHE 16 HB2 PHE 16 -3.953 1.120 -6.664 127 2HB PHE 16 HB1 PHE 16 -3.761 2.643 -5.800 128 HD1 PHE 16 HD1 PHE 16 -2.852 2.465 -3.674 129 HD2 PHE 16 HD2 PHE 16 -5.349 -0.705 -5.146 130 HE1 PHE 16 HE1 PHE 16 -2.532 1.229 -1.549 131 HE2 PHE 16 HE2 PHE 16 -5.029 -1.943 -3.020 132 HZ PHE 16 HZ PHE 16 -3.619 -0.975 -1.219 133 H GLU 17 HN GLU 17 -5.427 4.419 -5.251 134 HA GLU 17 HA GLU 17 -5.667 5.596 -7.954 135 1HB GLU 17 HB2 GLU 17 -7.607 5.980 -5.713 136 2HB GLU 17 HB1 GLU 17 -7.228 7.368 -6.734 137 1HG GLU 17 HG2 GLU 17 -8.054 6.326 -8.674 138 2HG GLU 17 HG1 GLU 17 -7.940 4.713 -7.967 139 HA PRO 18 HA PRO 18 -4.433 6.389 -9.001 140 1HB PRO 18 HB2 PRO 18 -1.760 6.639 -9.578 141 2HB PRO 18 HB1 PRO 18 -2.913 7.976 -9.685 142 1HG PRO 18 HG2 PRO 18 -0.818 7.451 -7.636 143 2HG PRO 18 HG1 PRO 18 -1.545 8.989 -8.131 144 1HD PRO 18 HD2 PRO 18 -2.180 7.525 -5.798 145 2HD PRO 18 HD1 PRO 18 -3.108 8.883 -6.469 146 H ALA 19 HN ALA 19 -2.801 4.702 -10.196 147 HA ALA 19 HA ALA 19 -2.877 2.297 -8.594 148 1HB ALA 19 HB1 ALA 19 -1.666 1.313 -10.608 149 2HB ALA 19 HB2 ALA 19 -1.736 2.922 -11.325 150 3HB ALA 19 HB3 ALA 19 -3.227 2.058 -10.952 151 H LYS 20 HN LYS 20 -0.211 4.300 -9.886 152 HA LYS 20 HA LYS 20 1.703 2.773 -8.211 153 1HB LYS 20 HB2 LYS 20 3.435 3.835 -9.475 154 2HB LYS 20 HB1 LYS 20 2.180 3.415 -10.642 155 1HG LYS 20 HG2 LYS 20 1.500 5.971 -9.630 156 2HG LYS 20 HG1 LYS 20 3.227 6.019 -9.985 157 1HD LYS 20 HD2 LYS 20 2.911 5.763 -12.235 158 2HD LYS 20 HD1 LYS 20 1.525 4.694 -12.022 159 1HE LYS 20 HE2 LYS 20 0.035 6.490 -11.695 160 2HE LYS 20 HE1 LYS 20 1.339 7.620 -11.326 161 1HZ LYS 20 HZ1 LYS 20 0.468 6.575 -13.931 162 2HZ LYS 20 HZ2 LYS 20 2.086 7.049 -13.725 163 3HZ LYS 20 HZ3 LYS 20 0.831 8.169 -13.480 164 H LEU 21 HN LEU 21 3.479 4.395 -7.214 165 HA LEU 21 HA LEU 21 2.253 6.861 -6.167 166 1HB LEU 21 HB2 LEU 21 1.992 4.479 -4.718 167 2HB LEU 21 HB1 LEU 21 3.325 5.334 -3.940 168 HG LEU 21 HG LEU 21 1.551 7.376 -4.352 169 1HD1 LEU 21 HD11 LEU 21 -0.396 5.623 -3.158 170 2HD1 LEU 21 HD12 LEU 21 0.066 4.991 -4.739 171 3HD1 LEU 21 HD13 LEU 21 -0.559 6.634 -4.595 172 1HD2 LEU 21 HD21 LEU 21 1.189 5.727 -1.886 173 2HD2 LEU 21 HD22 LEU 21 1.481 7.459 -2.044 174 3HD2 LEU 21 HD23 LEU 21 2.812 6.319 -2.241 175 H THR 22 HN THR 22 3.812 8.354 -5.547 176 HA THR 22 HA THR 22 6.653 7.419 -5.686 177 HB THR 22 HB THR 22 5.466 10.066 -6.578 178 HG1 THR 22 HG1 THR 22 6.651 7.876 -7.926 179 1HG2 THR 22 1HG2 THR 22 8.190 9.663 -7.376 180 2HG2 THR 22 2HG2 THR 22 8.079 9.461 -5.628 181 3HG2 THR 22 3HG2 THR 22 7.520 10.955 -6.381 182 H ILE 23 HN ILE 23 7.521 7.526 -3.668 183 HA ILE 23 HA ILE 23 6.841 9.882 -1.989 184 HB ILE 23 HB ILE 23 7.028 8.314 0.003 185 1HG1 ILE 23 2HG1 ILE 23 6.223 5.937 -1.342 186 2HG1 ILE 23 1HG1 ILE 23 7.695 6.505 -2.127 187 1HG2 ILE 23 1HG2 ILE 23 4.720 7.175 -0.694 188 2HG2 ILE 23 2HG2 ILE 23 4.841 8.320 -2.030 189 3HG2 ILE 23 3HG2 ILE 23 4.829 8.904 -0.366 190 1HD1 ILE 23 HD11 ILE 23 7.602 5.051 0.228 191 2HD1 ILE 23 HD12 ILE 23 7.815 6.706 0.796 192 3HD1 ILE 23 HD13 ILE 23 8.977 6.004 -0.329 193 H LYS 24 HN LYS 24 8.505 9.688 0.048 194 HA LYS 24 HA LYS 24 11.189 9.503 -1.233 195 1HB LYS 24 HB2 LYS 24 9.967 11.439 0.502 196 2HB LYS 24 HB1 LYS 24 11.347 10.725 1.336 197 1HG LYS 24 HG2 LYS 24 12.401 12.417 0.139 198 2HG LYS 24 HG1 LYS 24 12.540 11.076 -0.999 199 1HD LYS 24 HD2 LYS 24 9.992 12.396 -1.338 200 2HD LYS 24 HD1 LYS 24 11.302 13.571 -1.455 201 1HE LYS 24 HE2 LYS 24 12.454 12.037 -3.072 202 2HE LYS 24 HE1 LYS 24 11.028 11.000 -3.036 203 1HZ LYS 24 HZ1 LYS 24 11.377 13.031 -4.745 204 2HZ LYS 24 HZ2 LYS 24 10.489 13.800 -3.518 205 3HZ LYS 24 HZ3 LYS 24 9.862 12.421 -4.289 206 HA PRO 25 HA PRO 25 12.415 6.317 1.512 207 1HB PRO 25 HB2 PRO 25 14.838 7.169 2.501 208 2HB PRO 25 HB1 PRO 25 14.602 6.596 0.841 209 1HG PRO 25 HG2 PRO 25 14.977 9.385 1.826 210 2HG PRO 25 HG1 PRO 25 15.350 8.696 0.237 211 1HD PRO 25 HD2 PRO 25 13.097 10.289 0.864 212 2HD PRO 25 HD1 PRO 25 13.316 9.328 -0.614 213 H GLY 26 HN GLY 26 10.565 6.994 3.024 214 1HA GLY 26 HA2 GLY 26 10.709 6.677 5.593 215 2HA GLY 26 HA1 GLY 26 11.611 8.191 5.557 216 H ASP 27 HN ASP 27 9.598 8.779 3.163 217 HA ASP 27 HA ASP 27 7.943 10.591 4.539 218 1HB ASP 27 HB2 ASP 27 7.800 9.240 1.873 219 2HB ASP 27 HB1 ASP 27 6.374 10.107 2.443 220 H THR 28 HN THR 28 5.330 10.210 4.210 221 HA THR 28 HA THR 28 4.735 7.608 5.535 222 HB THR 28 HB THR 28 3.324 10.240 6.053 223 HG1 THR 28 HG1 THR 28 5.332 10.442 6.908 224 1HG2 THR 28 1HG2 THR 28 1.851 8.491 6.616 225 2HG2 THR 28 2HG2 THR 28 2.653 8.858 8.143 226 3HG2 THR 28 3HG2 THR 28 3.157 7.458 7.197 227 H VAL 29 HN VAL 29 2.778 6.600 4.897 228 HA VAL 29 HA VAL 29 1.220 7.945 2.765 229 HB VAL 29 HB VAL 29 1.997 5.037 2.548 230 1HG1 VAL 29 1HG1 VAL 29 0.125 5.632 1.175 231 2HG1 VAL 29 2HG1 VAL 29 1.525 5.594 0.103 232 3HG1 VAL 29 3HG1 VAL 29 0.891 7.138 0.671 233 1HG2 VAL 29 1HG2 VAL 29 3.373 7.290 1.076 234 2HG2 VAL 29 2HG2 VAL 29 3.869 5.602 1.199 235 3HG2 VAL 29 3HG2 VAL 29 4.000 6.664 2.601 236 H GLU 30 HN GLU 30 -0.910 7.844 3.284 237 HA GLU 30 HA GLU 30 -1.752 5.852 5.303 238 1HB GLU 30 HB2 GLU 30 -2.363 8.020 6.006 239 2HB GLU 30 HB1 GLU 30 -2.872 8.494 4.387 240 1HG GLU 30 HG2 GLU 30 -4.810 8.067 5.885 241 2HG GLU 30 HG1 GLU 30 -4.782 6.964 4.509 242 H PHE 31 HN PHE 31 -3.088 4.194 4.754 243 HA PHE 31 HA PHE 31 -4.336 4.264 2.035 244 1HB PHE 31 HB2 PHE 31 -4.046 1.658 3.441 245 2HB PHE 31 HB1 PHE 31 -3.822 2.043 1.737 246 HD1 PHE 31 HD1 PHE 31 -1.774 3.881 1.415 247 HD2 PHE 31 HD2 PHE 31 -2.121 0.951 4.540 248 HE1 PHE 31 HE1 PHE 31 0.677 3.948 1.757 249 HE2 PHE 31 HE2 PHE 31 0.326 1.023 4.879 250 HZ PHE 31 HZ PHE 31 1.726 2.525 3.492 251 H LEU 32 HN LEU 32 -6.558 3.466 1.918 252 HA LEU 32 HA LEU 32 -7.888 3.015 4.529 253 1HB LEU 32 HB2 LEU 32 -9.709 4.614 3.812 254 2HB LEU 32 HB1 LEU 32 -8.166 5.383 4.186 255 HG LEU 32 HG LEU 32 -7.786 4.891 1.560 256 1HD1 LEU 32 HD11 LEU 32 -10.373 5.885 0.986 257 2HD1 LEU 32 HD12 LEU 32 -10.603 4.475 2.021 258 3HD1 LEU 32 HD13 LEU 32 -9.697 4.325 0.515 259 1HD2 LEU 32 HD21 LEU 32 -9.228 7.304 1.574 260 2HD2 LEU 32 HD22 LEU 32 -7.493 7.112 1.824 261 3HD2 LEU 32 HD23 LEU 32 -8.584 7.144 3.208 262 H ASN 33 HN ASN 33 -10.424 2.685 3.921 263 HA ASN 33 HA ASN 33 -10.472 0.746 1.637 264 1HB ASN 33 HB2 ASN 33 -11.678 -0.756 2.909 265 2HB ASN 33 HB1 ASN 33 -10.786 0.029 4.201 266 1HD2 ASN 33 HD21 ASN 33 -13.362 -1.263 4.494 267 2HD2 ASN 33 HD22 ASN 33 -14.439 -0.071 5.015 268 H ASN 34 HN ASN 34 -12.484 0.738 0.384 269 HA ASN 34 HA ASN 34 -13.872 3.366 0.565 270 1HB ASN 34 HB2 ASN 34 -12.847 2.838 -1.608 271 2HB ASN 34 HB1 ASN 34 -13.798 1.354 -1.704 272 1HD2 ASN 34 HD21 ASN 34 -14.779 2.316 -3.718 273 2HD2 ASN 34 HD22 ASN 34 -16.028 3.454 -3.561 274 H LYS 35 HN LYS 35 -15.607 1.016 -1.218 275 HA LYS 35 HA LYS 35 -17.351 0.479 1.146 276 1HB LYS 35 HB2 LYS 35 -18.037 2.204 -0.870 277 2HB LYS 35 HB1 LYS 35 -18.711 0.689 -1.468 278 1HG LYS 35 HG2 LYS 35 -20.243 0.537 0.236 279 2HG LYS 35 HG1 LYS 35 -19.170 1.305 1.406 280 1HD LYS 35 HD2 LYS 35 -19.962 3.381 0.946 281 2HD LYS 35 HD1 LYS 35 -19.988 3.082 -0.792 282 1HE LYS 35 HE2 LYS 35 -22.266 3.253 -0.331 283 2HE LYS 35 HE1 LYS 35 -22.019 1.512 -0.195 284 1HZ LYS 35 HZ1 LYS 35 -21.475 2.922 2.243 285 2HZ LYS 35 HZ2 LYS 35 -22.448 1.556 1.974 286 3HZ LYS 35 HZ3 LYS 35 -23.077 3.114 1.723 287 H VAL 36 HN VAL 36 -15.323 -1.224 0.025 288 HA VAL 36 HA VAL 36 -17.001 -3.577 -0.555 289 HB VAL 36 HB VAL 36 -14.704 -3.015 -2.424 290 1HG1 VAL 36 1HG1 VAL 36 -15.470 -4.847 -3.540 291 2HG1 VAL 36 2HG1 VAL 36 -17.161 -4.412 -3.291 292 3HG1 VAL 36 3HG1 VAL 36 -16.261 -5.223 -2.009 293 1HG2 VAL 36 1HG2 VAL 36 -17.584 -2.105 -2.714 294 2HG2 VAL 36 2HG2 VAL 36 -16.428 -2.157 -4.044 295 3HG2 VAL 36 3HG2 VAL 36 -16.150 -1.079 -2.676 296 HA PRO 37 HA PRO 37 -13.097 -4.215 1.926 297 1HB PRO 37 HB2 PRO 37 -14.332 -4.656 4.341 298 2HB PRO 37 HB1 PRO 37 -13.812 -3.054 3.791 299 1HG PRO 37 HG2 PRO 37 -16.562 -4.184 3.951 300 2HG PRO 37 HG1 PRO 37 -16.039 -2.493 4.010 301 1HD PRO 37 HD2 PRO 37 -17.156 -3.820 1.763 302 2HD PRO 37 HD1 PRO 37 -16.363 -2.230 1.761 303 HA PRO 38 HA PRO 38 -12.565 -5.113 4.062 304 1HB PRO 38 HB2 PRO 38 -10.870 -7.106 4.864 305 2HB PRO 38 HB1 PRO 38 -12.440 -6.810 5.629 306 1HG PRO 38 HG2 PRO 38 -11.642 -9.025 3.817 307 2HG PRO 38 HG1 PRO 38 -12.949 -8.968 5.009 308 1HD PRO 38 HD2 PRO 38 -13.200 -8.650 2.177 309 2HD PRO 38 HD1 PRO 38 -14.474 -8.428 3.395 310 H HIS 39 HN HIS 39 -10.295 -4.473 3.847 311 HA HIS 39 HA HIS 39 -9.074 -5.386 1.278 312 1HB HIS 39 HB2 HIS 39 -8.979 -2.673 2.623 313 2HB HIS 39 HB1 HIS 39 -7.986 -3.110 1.233 314 HD2 HIS 39 HD2 HIS 39 -11.826 -2.632 2.064 315 HE1 HIS 39 HE1 HIS 39 -11.344 -2.555 -2.124 316 HE2 HIS 39 HE2 HIS 39 -13.012 -2.374 -0.234 317 H ASN 40 HN ASN 40 -6.889 -5.945 1.316 318 HA ASN 40 HA ASN 40 -5.597 -5.905 4.016 319 1HB ASN 40 HB2 ASN 40 -6.269 -8.137 2.634 320 2HB ASN 40 HB1 ASN 40 -4.660 -7.848 1.972 321 1HD2 ASN 40 HD21 ASN 40 -3.872 -6.504 4.625 322 2HD2 ASN 40 HD22 ASN 40 -3.584 -7.804 5.676 323 H VAL 41 HN VAL 41 -3.743 -4.722 4.114 324 HA VAL 41 HA VAL 41 -2.381 -4.070 1.531 325 HB VAL 41 HB VAL 41 -2.812 -2.441 4.038 326 1HG1 VAL 41 1HG1 VAL 41 -0.477 -2.464 2.269 327 2HG1 VAL 41 2HG1 VAL 41 -0.700 -1.654 3.819 328 3HG1 VAL 41 3HG1 VAL 41 -1.263 -0.887 2.334 329 1HG2 VAL 41 1HG2 VAL 41 -3.940 -2.538 1.420 330 2HG2 VAL 41 2HG2 VAL 41 -3.033 -1.031 1.550 331 3HG2 VAL 41 3HG2 VAL 41 -4.306 -1.397 2.715 332 H VAL 42 HN VAL 42 -0.342 -4.840 1.351 333 HA VAL 42 HA VAL 42 1.442 -5.013 3.661 334 HB VAL 42 HB VAL 42 1.746 -7.600 2.769 335 1HG1 VAL 42 1HG1 VAL 42 1.587 -7.862 4.994 336 2HG1 VAL 42 2HG1 VAL 42 -0.153 -7.585 4.920 337 3HG1 VAL 42 3HG1 VAL 42 0.949 -6.223 5.126 338 1HG2 VAL 42 1HG2 VAL 42 -0.561 -7.043 1.565 339 2HG2 VAL 42 2HG2 VAL 42 -1.216 -7.378 3.168 340 3HG2 VAL 42 3HG2 VAL 42 -0.293 -8.616 2.316 341 H PHE 43 HN PHE 43 3.640 -5.869 2.923 342 HA PHE 43 HA PHE 43 4.021 -5.233 0.023 343 1HB PHE 43 HB2 PHE 43 6.212 -4.963 2.074 344 2HB PHE 43 HB1 PHE 43 6.049 -4.156 0.515 345 HD1 PHE 43 HD1 PHE 43 5.146 -1.992 0.417 346 HD2 PHE 43 HD2 PHE 43 4.403 -4.455 3.856 347 HE1 PHE 43 HE1 PHE 43 4.062 -0.078 1.562 348 HE2 PHE 43 HE2 PHE 43 3.318 -2.543 4.984 349 HZ PHE 43 HZ PHE 43 3.168 -0.355 3.858 350 H ASP 44 HN ASP 44 4.315 -7.151 -1.012 351 HA ASP 44 HA ASP 44 5.097 -9.603 0.122 352 1HB ASP 44 HB2 ASP 44 4.187 -9.115 -2.243 353 2HB ASP 44 HB1 ASP 44 5.865 -8.801 -2.686 354 H ALA 45 HN ALA 45 7.107 -10.624 0.411 355 HA ALA 45 HA ALA 45 9.405 -8.807 0.615 356 1HB ALA 45 HB1 ALA 45 10.354 -10.383 2.030 357 2HB ALA 45 HB2 ALA 45 9.596 -11.738 1.194 358 3HB ALA 45 HB3 ALA 45 8.642 -10.725 2.277 359 H ALA 46 HN ALA 46 8.220 -9.953 -2.015 360 HA ALA 46 HA ALA 46 10.808 -11.043 -3.051 361 1HB ALA 46 HB1 ALA 46 9.493 -12.295 -4.712 362 2HB ALA 46 HB2 ALA 46 8.002 -11.634 -4.041 363 3HB ALA 46 HB3 ALA 46 8.994 -12.729 -3.077 364 H LEU 47 HN LEU 47 8.119 -8.835 -3.566 365 HA LEU 47 HA LEU 47 9.329 -7.899 -6.111 366 1HB LEU 47 HB2 LEU 47 6.731 -7.229 -4.705 367 2HB LEU 47 HB1 LEU 47 7.268 -6.437 -6.187 368 HG LEU 47 HG LEU 47 7.550 -8.888 -7.076 369 1HD1 LEU 47 HD11 LEU 47 7.068 -10.374 -5.409 370 2HD1 LEU 47 HD12 LEU 47 5.400 -10.072 -5.894 371 3HD1 LEU 47 HD13 LEU 47 6.088 -9.210 -4.518 372 1HD2 LEU 47 HD21 LEU 47 5.934 -7.250 -7.955 373 2HD2 LEU 47 HD22 LEU 47 4.827 -7.619 -6.632 374 3HD2 LEU 47 HD23 LEU 47 5.192 -8.846 -7.845 375 H ASN 48 HN ASN 48 11.149 -7.262 -4.370 376 HA ASN 48 HA ASN 48 10.753 -4.356 -3.887 377 1HB ASN 48 HB2 ASN 48 11.991 -4.716 -1.663 378 2HB ASN 48 HB1 ASN 48 10.309 -5.236 -1.723 379 1HD2 ASN 48 HD21 ASN 48 10.869 -6.796 0.047 380 2HD2 ASN 48 HD22 ASN 48 11.656 -8.249 -0.343 381 HA PRO 49 HA PRO 49 14.864 -4.067 -5.400 382 1HB PRO 49 HB2 PRO 49 15.780 -1.890 -3.986 383 2HB PRO 49 HB1 PRO 49 14.639 -1.773 -5.338 384 1HG PRO 49 HG2 PRO 49 14.115 -1.521 -2.408 385 2HG PRO 49 HG1 PRO 49 13.245 -0.796 -3.770 386 1HD PRO 49 HD2 PRO 49 12.394 -3.043 -2.302 387 2HD PRO 49 HD1 PRO 49 11.766 -2.547 -3.888 388 H ALA 50 HN ALA 50 14.270 -4.574 -2.050 389 HA ALA 50 HA ALA 50 17.018 -5.693 -1.742 390 1HB ALA 50 HB1 ALA 50 15.657 -3.632 -0.101 391 2HB ALA 50 HB2 ALA 50 17.380 -3.941 -0.316 392 3HB ALA 50 HB3 ALA 50 16.441 -4.925 0.807 393 H LYS 51 HN LYS 51 15.499 -7.567 -2.419 394 HA LYS 51 HA LYS 51 13.414 -8.661 -1.015 395 1HB LYS 51 HB2 LYS 51 14.712 -10.938 -1.394 396 2HB LYS 51 HB1 LYS 51 14.109 -10.014 -2.770 397 1HG LYS 51 HG2 LYS 51 16.746 -9.102 -1.911 398 2HG LYS 51 HG1 LYS 51 16.749 -10.806 -2.367 399 1HD LYS 51 HD2 LYS 51 15.744 -8.491 -4.048 400 2HD LYS 51 HD1 LYS 51 17.187 -9.461 -4.349 401 1HE LYS 51 HE2 LYS 51 15.926 -10.899 -5.534 402 2HE LYS 51 HE1 LYS 51 15.041 -11.286 -4.059 403 1HZ LYS 51 HZ1 LYS 51 13.340 -9.929 -4.608 404 2HZ LYS 51 HZ2 LYS 51 13.882 -10.245 -6.188 405 3HZ LYS 51 HZ3 LYS 51 14.328 -8.805 -5.406 406 H SER 52 HN SER 52 13.432 -8.146 1.205 407 HA SER 52 HA SER 52 15.224 -9.869 2.836 408 1HB SER 52 HB2 SER 52 14.702 -6.947 3.456 409 2HB SER 52 HB1 SER 52 15.721 -8.052 4.374 410 HG SER 52 HG SER 52 17.253 -7.813 2.944 411 H ALA 53 HN ALA 53 14.271 -8.842 5.329 412 HA ALA 53 HA ALA 53 11.336 -8.970 5.251 413 1HB ALA 53 HB1 ALA 53 12.499 -11.025 7.041 414 2HB ALA 53 HB2 ALA 53 12.602 -11.379 5.316 415 3HB ALA 53 HB3 ALA 53 11.032 -11.083 6.063 416 H ASP 54 HN ASP 54 12.607 -6.822 6.138 417 HA ASP 54 HA ASP 54 12.321 -7.008 9.080 418 1HB ASP 54 HB2 ASP 54 14.793 -7.010 8.166 419 2HB ASP 54 HB1 ASP 54 14.494 -5.286 7.936 420 H LEU 55 HN LEU 55 13.055 -4.580 6.542 421 HA LEU 55 HA LEU 55 11.769 -2.408 7.802 422 1HB LEU 55 HB2 LEU 55 11.880 -1.296 5.723 423 2HB LEU 55 HB1 LEU 55 13.199 -2.463 5.629 424 HG LEU 55 HG LEU 55 11.178 -3.981 4.656 425 1HD1 LEU 55 HD11 LEU 55 9.796 -1.735 4.900 426 2HD1 LEU 55 HD12 LEU 55 9.571 -2.771 3.491 427 3HD1 LEU 55 HD13 LEU 55 10.587 -1.334 3.376 428 1HD2 LEU 55 HD21 LEU 55 13.492 -2.780 3.682 429 2HD2 LEU 55 HD22 LEU 55 12.243 -2.228 2.565 430 3HD2 LEU 55 HD23 LEU 55 12.501 -3.955 2.816 431 H ALA 56 HN ALA 56 10.433 -5.130 6.060 432 HA ALA 56 HA ALA 56 7.795 -3.991 5.685 433 1HB ALA 56 HB1 ALA 56 7.601 -6.817 5.839 434 2HB ALA 56 HB2 ALA 56 9.146 -6.459 5.068 435 3HB ALA 56 HB3 ALA 56 7.650 -5.823 4.383 436 H LYS 57 HN LYS 57 9.317 -6.019 8.171 437 HA LYS 57 HA LYS 57 7.155 -6.791 9.721 438 1HB LYS 57 HB2 LYS 57 9.347 -7.396 10.458 439 2HB LYS 57 HB1 LYS 57 9.848 -5.709 10.574 440 1HG LYS 57 HG2 LYS 57 8.399 -5.324 12.456 441 2HG LYS 57 HG1 LYS 57 7.623 -6.895 12.251 442 1HD LYS 57 HD2 LYS 57 9.668 -8.053 12.841 443 2HD LYS 57 HD1 LYS 57 10.566 -6.535 12.874 444 1HE LYS 57 HE2 LYS 57 8.894 -5.777 14.673 445 2HE LYS 57 HE1 LYS 57 8.419 -7.472 14.779 446 1HZ LYS 57 HZ1 LYS 57 10.632 -6.222 15.942 447 2HZ LYS 57 HZ2 LYS 57 11.214 -7.334 14.797 448 3HZ LYS 57 HZ3 LYS 57 10.178 -7.853 16.040 449 H SER 58 HN SER 58 8.721 -3.586 9.742 450 HA SER 58 HA SER 58 6.506 -2.563 11.440 451 1HB SER 58 HB2 SER 58 8.810 -0.882 10.503 452 2HB SER 58 HB1 SER 58 7.898 -0.778 12.005 453 HG SER 58 HG SER 58 8.906 -2.661 12.699 454 H LEU 59 HN LEU 59 6.296 -3.280 8.510 455 HA LEU 59 HA LEU 59 5.325 -0.608 7.566 456 1HB LEU 59 HB2 LEU 59 7.410 -1.818 6.406 457 2HB LEU 59 HB1 LEU 59 6.128 -2.691 5.581 458 HG LEU 59 HG LEU 59 5.115 -0.460 4.985 459 1HD1 LEU 59 HD11 LEU 59 7.797 0.574 5.954 460 2HD1 LEU 59 HD12 LEU 59 6.266 0.821 6.793 461 3HD1 LEU 59 HD13 LEU 59 6.522 1.529 5.198 462 1HD2 LEU 59 HD21 LEU 59 6.201 -1.144 3.102 463 2HD2 LEU 59 HD22 LEU 59 7.633 -1.633 4.005 464 3HD2 LEU 59 HD23 LEU 59 7.412 0.056 3.548 465 H SER 60 HN SER 60 5.036 -4.123 6.921 466 HA SER 60 HA SER 60 2.325 -3.801 5.901 467 1HB SER 60 HB2 SER 60 2.778 -6.514 6.535 468 2HB SER 60 HB1 SER 60 2.901 -5.754 4.951 469 HG SER 60 HG SER 60 4.990 -5.881 5.101 470 H HIS 61 HN HIS 61 0.409 -4.454 6.909 471 HA HIS 61 HA HIS 61 0.606 -4.956 9.852 472 1HB HIS 61 HB2 HIS 61 -1.382 -3.619 10.164 473 2HB HIS 61 HB1 HIS 61 -0.261 -2.667 9.190 474 HD1 HIS 61 HD1 HIS 61 -3.328 -4.882 8.801 475 HD2 HIS 61 HD2 HIS 61 -1.223 -1.982 6.659 476 HE1 HIS 61 HE1 HIS 61 -4.709 -4.359 6.738 477 H LYS 62 HN LYS 62 -1.633 -5.913 10.620 478 HA LYS 62 HA LYS 62 -2.545 -7.906 8.582 479 1HB LYS 62 HB2 LYS 62 -2.405 -8.475 11.547 480 2HB LYS 62 HB1 LYS 62 -2.563 -9.624 10.219 481 1HG LYS 62 HG2 LYS 62 -0.238 -8.457 9.506 482 2HG LYS 62 HG1 LYS 62 -0.137 -8.253 11.256 483 1HD LYS 62 HD2 LYS 62 -1.072 -10.880 10.859 484 2HD LYS 62 HD1 LYS 62 0.225 -10.656 9.684 485 1HE LYS 62 HE2 LYS 62 1.370 -11.373 11.610 486 2HE LYS 62 HE1 LYS 62 1.543 -9.619 11.670 487 1HZ LYS 62 HZ1 LYS 62 -0.786 -10.847 12.957 488 2HZ LYS 62 HZ2 LYS 62 0.058 -9.431 13.370 489 3HZ LYS 62 HZ3 LYS 62 0.715 -10.955 13.738 490 H GLN 63 HN GLN 63 -4.551 -9.038 10.267 491 HA GLN 63 HA GLN 63 -6.757 -8.656 10.968 492 1HB GLN 63 HB2 GLN 63 -5.212 -6.624 12.145 493 2HB GLN 63 HB1 GLN 63 -6.603 -5.802 11.437 494 1HG GLN 63 HG2 GLN 63 -7.606 -6.418 13.401 495 2HG GLN 63 HG1 GLN 63 -7.845 -7.940 12.541 496 1HE2 GLN 63 1HE2 GLN 63 -7.621 -7.911 15.388 497 2HE2 GLN 63 2HE2 GLN 63 -6.167 -8.671 15.823 498 H LEU 64 HN LEU 64 -8.583 -8.260 9.775 499 HA LEU 64 HA LEU 64 -8.375 -7.177 7.131 500 1HB LEU 64 HB2 LEU 64 -10.809 -7.707 8.850 501 2HB LEU 64 HB1 LEU 64 -10.856 -7.342 7.126 502 HG LEU 64 HG LEU 64 -9.858 -9.809 8.515 503 1HD1 LEU 64 HD11 LEU 64 -12.042 -9.104 6.927 504 2HD1 LEU 64 HD12 LEU 64 -11.545 -10.740 7.358 505 3HD1 LEU 64 HD13 LEU 64 -10.990 -10.017 5.848 506 1HD2 LEU 64 HD21 LEU 64 -7.893 -9.311 7.265 507 2HD2 LEU 64 HD22 LEU 64 -8.821 -8.661 5.913 508 3HD2 LEU 64 HD23 LEU 64 -8.813 -10.398 6.223 509 H LEU 65 HN LEU 65 -9.495 -5.223 6.317 510 HA LEU 65 HA LEU 65 -9.067 -2.943 8.104 511 1HB LEU 65 HB2 LEU 65 -9.734 -3.353 5.229 512 2HB LEU 65 HB1 LEU 65 -10.262 -1.837 5.954 513 HG LEU 65 HG LEU 65 -8.056 -1.181 6.482 514 1HD1 LEU 65 HD11 LEU 65 -6.909 -2.885 7.501 515 2HD1 LEU 65 HD12 LEU 65 -6.219 -3.077 5.889 516 3HD1 LEU 65 HD13 LEU 65 -7.551 -4.110 6.406 517 1HD2 LEU 65 HD21 LEU 65 -8.652 -1.312 3.990 518 2HD2 LEU 65 HD22 LEU 65 -7.645 -2.759 3.934 519 3HD2 LEU 65 HD23 LEU 65 -6.935 -1.208 4.373 520 H MET 66 HN MET 66 -10.662 -3.352 9.758 521 HA MET 66 HA MET 66 -13.494 -3.514 9.003 522 1HB MET 66 HB2 MET 66 -11.939 -3.566 11.563 523 2HB MET 66 HB1 MET 66 -13.657 -3.173 11.626 524 1HG MET 66 HG2 MET 66 -13.933 -5.432 11.693 525 2HG MET 66 HG1 MET 66 -13.680 -5.330 9.950 526 1HE MET 66 HE1 MET 66 -11.997 -8.408 10.339 527 2HE MET 66 HE2 MET 66 -13.546 -7.668 10.736 528 3HE MET 66 HE3 MET 66 -12.480 -8.211 12.029 529 H SER 67 HN SER 67 -11.404 -1.015 8.929 530 HA SER 67 HA SER 67 -13.305 0.952 10.102 531 1HB SER 67 HB2 SER 67 -10.845 1.021 10.718 532 2HB SER 67 HB1 SER 67 -10.516 1.474 9.049 533 HG SER 67 HG SER 67 -12.072 2.850 10.981 534 HA PRO 68 HA PRO 68 -14.445 1.572 5.813 535 1HB PRO 68 HB2 PRO 68 -16.653 3.104 6.380 536 2HB PRO 68 HB1 PRO 68 -16.642 1.333 6.456 537 1HG PRO 68 HG2 PRO 68 -16.625 3.307 8.690 538 2HG PRO 68 HG1 PRO 68 -17.225 1.640 8.670 539 1HD PRO 68 HD2 PRO 68 -14.760 2.509 9.767 540 2HD PRO 68 HD1 PRO 68 -15.233 0.825 9.457 541 H GLY 69 HN GLY 69 -12.692 2.979 5.194 542 1HA GLY 69 HA2 GLY 69 -12.768 5.338 4.189 543 2HA GLY 69 HA1 GLY 69 -13.153 5.873 5.824 544 H GLN 70 HN GLN 70 -11.192 3.606 6.710 545 HA GLN 70 HA GLN 70 -8.620 4.809 5.889 546 1HB GLN 70 HB2 GLN 70 -7.925 5.300 8.169 547 2HB GLN 70 HB1 GLN 70 -9.428 6.162 7.834 548 1HG GLN 70 HG2 GLN 70 -10.695 4.304 8.912 549 2HG GLN 70 HG1 GLN 70 -9.163 3.533 9.323 550 1HE2 GLN 70 1HE2 GLN 70 -11.060 6.527 9.877 551 2HE2 GLN 70 2HE2 GLN 70 -10.320 6.906 11.358 552 H SER 71 HN SER 71 -6.831 3.402 6.313 553 HA SER 71 HA SER 71 -7.642 0.700 7.294 554 1HB SER 71 HB2 SER 71 -6.114 -0.307 5.731 555 2HB SER 71 HB1 SER 71 -7.129 0.814 4.829 556 HG SER 71 HG SER 71 -4.474 0.787 5.106 557 H THR 72 HN THR 72 -4.448 2.055 6.509 558 HA THR 72 HA THR 72 -3.711 2.296 9.328 559 HB THR 72 HB THR 72 -2.594 0.065 7.608 560 HG1 THR 72 HG1 THR 72 -3.930 -1.034 8.763 561 1HG2 THR 72 1HG2 THR 72 -1.511 1.465 10.022 562 2HG2 THR 72 2HG2 THR 72 -0.652 0.822 8.622 563 3HG2 THR 72 3HG2 THR 72 -1.258 -0.273 9.866 564 H SER 73 HN SER 73 -2.462 4.098 9.305 565 HA SER 73 HA SER 73 -1.139 4.968 6.844 566 1HB SER 73 HB2 SER 73 -1.639 6.912 7.906 567 2HB SER 73 HB1 SER 73 -1.795 6.114 9.468 568 HG SER 73 HG SER 73 0.583 6.946 8.156 569 H THR 74 HN THR 74 0.564 3.610 6.346 570 HA THR 74 HA THR 74 2.431 2.719 8.422 571 HB THR 74 HB THR 74 2.418 2.415 5.407 572 HG1 THR 74 HG1 THR 74 0.949 1.260 7.005 573 1HG2 THR 74 1HG2 THR 74 4.670 2.167 5.757 574 2HG2 THR 74 2HG2 THR 74 4.165 0.550 6.248 575 3HG2 THR 74 3HG2 THR 74 4.468 1.787 7.468 576 H THR 75 HN THR 75 3.788 4.266 9.210 577 HA THR 75 HA THR 75 4.732 6.478 7.551 578 HB THR 75 HB THR 75 6.287 6.230 9.930 579 HG1 THR 75 HG1 THR 75 4.968 5.203 11.178 580 1HG2 THR 75 1HG2 THR 75 3.911 7.966 9.212 581 2HG2 THR 75 2HG2 THR 75 5.607 8.334 8.899 582 3HG2 THR 75 3HG2 THR 75 5.009 8.270 10.557 583 H PHE 76 HN PHE 76 5.836 5.274 5.873 584 HA PHE 76 HA PHE 76 7.712 3.283 6.043 585 1HB PHE 76 HB2 PHE 76 7.590 5.757 4.350 586 2HB PHE 76 HB1 PHE 76 8.998 4.701 4.230 587 HD1 PHE 76 HD1 PHE 76 5.254 4.718 4.035 588 HD2 PHE 76 HD2 PHE 76 8.895 2.663 3.033 589 HE1 PHE 76 HE1 PHE 76 3.983 3.145 2.600 590 HE2 PHE 76 HE2 PHE 76 7.619 1.095 1.601 591 HZ PHE 76 HZ PHE 76 5.167 1.347 1.380 592 HA PRO 77 HA PRO 77 10.765 4.863 8.802 593 1HB PRO 77 HB2 PRO 77 12.614 2.868 8.410 594 2HB PRO 77 HB1 PRO 77 11.154 2.677 9.391 595 1HG PRO 77 HG2 PRO 77 11.735 1.615 6.669 596 2HG PRO 77 HG1 PRO 77 10.642 0.980 7.911 597 1HD PRO 77 HD2 PRO 77 9.872 2.459 5.625 598 2HD PRO 77 HD1 PRO 77 8.850 2.108 7.035 599 H ALA 78 HN ALA 78 13.241 5.255 8.758 600 HA ALA 78 HA ALA 78 13.890 6.762 6.346 601 1HB ALA 78 HB1 ALA 78 16.029 7.235 7.566 602 2HB ALA 78 HB2 ALA 78 15.487 6.159 8.854 603 3HB ALA 78 HB3 ALA 78 14.593 7.639 8.506 604 H ASP 79 HN ASP 79 13.924 3.546 6.892 605 HA ASP 79 HA ASP 79 16.531 3.045 5.565 606 1HB ASP 79 HB2 ASP 79 14.723 1.503 7.308 607 2HB ASP 79 HB1 ASP 79 15.350 0.582 5.940 608 H ALA 80 HN ALA 80 13.254 3.508 4.845 609 HA ALA 80 HA ALA 80 12.495 1.778 2.851 610 1HB ALA 80 HB1 ALA 80 11.217 3.801 3.465 611 2HB ALA 80 HB2 ALA 80 11.420 3.686 1.718 612 3HB ALA 80 HB3 ALA 80 12.416 4.803 2.648 613 HA PRO 81 HA PRO 81 16.169 2.103 0.273 614 1HB PRO 81 HB2 PRO 81 15.598 -0.150 -1.200 615 2HB PRO 81 HB1 PRO 81 16.379 -0.186 0.390 616 1HG PRO 81 HG2 PRO 81 13.563 -0.864 -0.335 617 2HG PRO 81 HG1 PRO 81 14.559 -1.480 0.994 618 1HD PRO 81 HD2 PRO 81 12.545 0.475 1.235 619 2HD PRO 81 HD1 PRO 81 13.807 0.137 2.440 620 H ALA 82 HN ALA 82 16.308 3.307 -1.575 621 HA ALA 82 HA ALA 82 14.057 4.299 -2.966 622 1HB ALA 82 HB1 ALA 82 16.241 4.278 -4.780 623 2HB ALA 82 HB2 ALA 82 16.921 4.505 -3.168 624 3HB ALA 82 HB3 ALA 82 15.694 5.619 -3.773 625 H GLY 83 HN GLY 83 13.472 3.859 -5.273 626 1HA GLY 83 HA2 GLY 83 13.855 2.167 -7.151 627 2HA GLY 83 HA1 GLY 83 13.777 0.946 -5.881 628 H GLU 84 HN GLU 84 11.826 -0.022 -5.712 629 HA GLU 84 HA GLU 84 9.359 1.546 -5.789 630 1HB GLU 84 HB2 GLU 84 8.490 -0.116 -7.644 631 2HB GLU 84 HB1 GLU 84 9.370 1.340 -8.110 632 1HG GLU 84 HG2 GLU 84 11.100 0.144 -8.936 633 2HG GLU 84 HG1 GLU 84 11.161 -0.890 -7.508 634 H TYR 85 HN TYR 85 8.115 0.631 -4.230 635 HA TYR 85 HA TYR 85 8.692 -2.120 -3.345 636 1HB TYR 85 HB2 TYR 85 6.539 -0.259 -2.308 637 2HB TYR 85 HB1 TYR 85 7.272 -1.629 -1.474 638 HD1 TYR 85 HD1 TYR 85 10.115 -0.823 -2.734 639 HD2 TYR 85 HD2 TYR 85 7.157 1.198 -0.364 640 HE1 TYR 85 HE1 TYR 85 11.869 0.673 -1.822 641 HE2 TYR 85 HE2 TYR 85 8.912 2.695 0.549 642 HH TYR 85 HH TYR 85 12.332 2.289 -0.376 643 H THR 86 HN THR 86 6.121 -3.001 -2.597 644 HA THR 86 HA THR 86 4.302 -2.766 -4.856 645 HB THR 86 HB THR 86 5.686 -5.435 -4.505 646 HG1 THR 86 HG1 THR 86 6.103 -3.335 -6.360 647 1HG2 THR 86 1HG2 THR 86 4.615 -5.749 -6.807 648 2HG2 THR 86 2HG2 THR 86 3.683 -4.294 -6.458 649 3HG2 THR 86 3HG2 THR 86 3.511 -5.718 -5.433 650 H PHE 87 HN PHE 87 2.579 -2.537 -3.447 651 HA PHE 87 HA PHE 87 2.143 -4.715 -1.487 652 1HB PHE 87 HB2 PHE 87 0.281 -2.950 -0.742 653 2HB PHE 87 HB1 PHE 87 1.947 -2.834 -0.174 654 HD1 PHE 87 HD1 PHE 87 3.561 -1.336 -1.360 655 HD2 PHE 87 HD2 PHE 87 -0.648 -1.306 -2.193 656 HE1 PHE 87 HE1 PHE 87 3.802 0.861 -2.464 657 HE2 PHE 87 HE2 PHE 87 -0.415 0.893 -3.297 658 HZ PHE 87 HZ PHE 87 1.811 1.989 -3.435 659 H TYR 88 HN TYR 88 -0.262 -5.355 -1.270 660 HA TYR 88 HA TYR 88 -1.886 -4.842 -3.652 661 1HB TYR 88 HB2 TYR 88 -2.035 -7.210 -4.313 662 2HB TYR 88 HB1 TYR 88 -0.372 -6.633 -4.423 663 HD1 TYR 88 HD1 TYR 88 0.998 -6.858 -2.122 664 HD2 TYR 88 HD2 TYR 88 -2.392 -9.248 -3.240 665 HE1 TYR 88 HE1 TYR 88 1.719 -8.621 -0.536 666 HE2 TYR 88 HE2 TYR 88 -1.670 -11.012 -1.653 667 HH TYR 88 HH TYR 88 1.067 -10.512 0.531 668 H CYS 89 HN CYS 89 -3.765 -6.755 -3.474 669 HA CYS 89 HA CYS 89 -4.730 -6.576 -0.645 670 1HB CYS 89 HB2 CYS 89 -5.931 -5.726 -3.134 671 2HB CYS 89 HB1 CYS 89 -6.928 -6.969 -2.381 672 H GLU 90 HN GLU 90 -5.654 -8.460 0.220 673 HA GLU 90 HA GLU 90 -4.930 -10.950 -1.114 674 1HB GLU 90 HB2 GLU 90 -4.682 -11.003 1.241 675 2HB GLU 90 HB1 GLU 90 -6.277 -10.311 1.513 676 1HG GLU 90 HG2 GLU 90 -7.375 -12.320 0.826 677 2HG GLU 90 HG1 GLU 90 -5.883 -12.987 0.162 678 HA PRO 91 HA PRO 91 -9.677 -11.333 -1.490 679 1HB PRO 91 HB2 PRO 91 -11.174 -9.072 -1.043 680 2HB PRO 91 HB1 PRO 91 -10.784 -10.251 0.221 681 1HG PRO 91 HG2 PRO 91 -9.664 -7.526 -0.210 682 2HG PRO 91 HG1 PRO 91 -9.769 -8.472 1.283 683 1HD PRO 91 HD2 PRO 91 -7.456 -8.122 -0.322 684 2HD PRO 91 HD1 PRO 91 -7.648 -9.274 1.015 685 H HIS 92 HN HIS 92 -9.301 -7.826 -2.154 686 HA HIS 92 HA HIS 92 -10.326 -8.118 -4.855 687 1HB HIS 92 HB2 HIS 92 -8.729 -5.724 -4.005 688 2HB HIS 92 HB1 HIS 92 -10.192 -5.798 -4.986 689 HD2 HIS 92 HD2 HIS 92 -12.614 -6.360 -3.383 690 HE1 HIS 92 HE1 HIS 92 -10.844 -5.089 0.219 691 HE2 HIS 92 HE2 HIS 92 -13.016 -5.738 -0.895 692 H ARG 93 HN ARG 93 -8.520 -9.928 -5.097 693 HA ARG 93 HA ARG 93 -5.904 -8.792 -5.876 694 1HB ARG 93 HB2 ARG 93 -6.010 -10.944 -4.629 695 2HB ARG 93 HB1 ARG 93 -6.897 -11.659 -5.976 696 1HG ARG 93 HG2 ARG 93 -4.859 -12.233 -6.785 697 2HG ARG 93 HG1 ARG 93 -4.711 -10.533 -7.232 698 1HD ARG 93 HD2 ARG 93 -2.746 -11.077 -5.964 699 2HD ARG 93 HD1 ARG 93 -3.779 -10.117 -4.905 700 HE ARG 93 HE ARG 93 -4.433 -12.230 -3.781 701 1HH1 ARG 93 HH21 ARG 93 -1.318 -11.796 -4.939 702 2HH1 ARG 93 HH22 ARG 93 -0.824 -13.445 -4.745 703 1HH2 ARG 93 HH11 ARG 93 -4.007 -14.585 -3.972 704 2HH2 ARG 93 HH12 ARG 93 -2.347 -15.024 -4.202 705 H GLY 94 HN GLY 94 -8.860 -9.970 -7.313 706 1HA GLY 94 HA2 GLY 94 -7.641 -9.960 -10.019 707 2HA GLY 94 HA1 GLY 94 -9.266 -10.527 -9.626 708 H ALA 95 HN ALA 95 -7.876 -7.455 -8.557 709 HA ALA 95 HA ALA 95 -9.684 -6.033 -10.452 710 1HB ALA 95 HB1 ALA 95 -9.807 -6.070 -7.505 711 2HB ALA 95 HB2 ALA 95 -11.051 -5.632 -8.676 712 3HB ALA 95 HB3 ALA 95 -9.822 -4.454 -8.212 713 H GLY 96 HN GLY 96 -6.811 -6.439 -10.504 714 1HA GLY 96 HA2 GLY 96 -4.812 -5.214 -10.701 715 2HA GLY 96 HA1 GLY 96 -5.877 -3.922 -11.255 716 H MET 97 HN MET 97 -6.236 -5.196 -8.021 717 HA MET 97 HA MET 97 -5.692 -2.548 -6.909 718 1HB MET 97 HB2 MET 97 -6.630 -5.184 -5.845 719 2HB MET 97 HB1 MET 97 -5.948 -4.022 -4.707 720 1HG MET 97 HG2 MET 97 -7.717 -2.611 -6.454 721 2HG MET 97 HG1 MET 97 -8.566 -4.035 -5.849 722 1HE MET 97 HE1 MET 97 -9.317 -1.384 -5.675 723 2HE MET 97 HE2 MET 97 -8.563 -0.268 -4.542 724 3HE MET 97 HE3 MET 97 -9.964 -1.212 -4.039 725 H VAL 98 HN VAL 98 -3.378 -3.168 -8.108 726 HA VAL 98 HA VAL 98 -1.597 -3.988 -5.847 727 HB VAL 98 HB VAL 98 -1.016 -4.434 -8.789 728 1HG1 VAL 98 1HG1 VAL 98 1.046 -4.512 -7.739 729 2HG1 VAL 98 2HG1 VAL 98 0.530 -6.182 -7.502 730 3HG1 VAL 98 3HG1 VAL 98 0.356 -5.012 -6.195 731 1HG2 VAL 98 1HG2 VAL 98 -2.735 -5.905 -6.970 732 2HG2 VAL 98 2HG2 VAL 98 -1.371 -6.900 -7.482 733 3HG2 VAL 98 3HG2 VAL 98 -2.441 -6.182 -8.687 734 H GLY 99 HN GLY 99 -0.845 -2.003 -5.171 735 1HA GLY 99 HA2 GLY 99 0.036 -0.071 -7.241 736 2HA GLY 99 HA1 GLY 99 -0.320 0.345 -5.568 737 H LYS 100 HN LYS 100 2.041 1.270 -6.401 738 HA LYS 100 HA LYS 100 3.966 -0.385 -4.890 739 1HB LYS 100 HB2 LYS 100 4.559 0.544 -7.716 740 2HB LYS 100 HB1 LYS 100 5.636 -0.373 -6.663 741 1HG LYS 100 HG2 LYS 100 3.895 -2.194 -6.598 742 2HG LYS 100 HG1 LYS 100 3.001 -1.301 -7.829 743 1HD LYS 100 HD2 LYS 100 5.655 -1.419 -8.766 744 2HD LYS 100 HD1 LYS 100 5.298 -3.033 -8.152 745 1HE LYS 100 HE2 LYS 100 3.217 -1.685 -9.821 746 2HE LYS 100 HE1 LYS 100 4.643 -2.324 -10.638 747 1HZ LYS 100 HZ1 LYS 100 3.571 -4.260 -10.580 748 2HZ LYS 100 HZ2 LYS 100 2.448 -3.722 -9.423 749 3HZ LYS 100 HZ3 LYS 100 3.964 -4.311 -8.930 750 H ILE 101 HN ILE 101 5.255 0.932 -3.676 751 HA ILE 101 HA ILE 101 4.990 3.840 -4.007 752 HB ILE 101 HB ILE 101 5.774 1.986 -1.886 753 1HG1 ILE 101 2HG1 ILE 101 4.848 4.862 -2.036 754 2HG1 ILE 101 1HG1 ILE 101 3.893 3.442 -1.613 755 1HG2 ILE 101 1HG2 ILE 101 8.045 2.812 -2.286 756 2HG2 ILE 101 2HG2 ILE 101 7.415 3.498 -0.788 757 3HG2 ILE 101 3HG2 ILE 101 7.466 4.478 -2.253 758 1HD1 ILE 101 HD11 ILE 101 4.431 3.742 0.552 759 2HD1 ILE 101 HD12 ILE 101 5.429 5.131 0.127 760 3HD1 ILE 101 HD13 ILE 101 6.133 3.514 0.152 761 H THR 102 HN THR 102 6.426 5.055 -5.154 762 HA THR 102 HA THR 102 8.963 3.747 -6.022 763 HB THR 102 HB THR 102 7.840 6.304 -7.161 764 HG1 THR 102 HG1 THR 102 6.205 5.152 -7.777 765 1HG2 THR 102 1HG2 THR 102 9.379 5.994 -8.808 766 2HG2 THR 102 2HG2 THR 102 9.148 4.245 -8.829 767 3HG2 THR 102 3HG2 THR 102 10.181 4.983 -7.605 768 H VAL 103 HN VAL 103 10.459 4.236 -4.431 769 HA VAL 103 HA VAL 103 10.585 7.039 -3.448 770 HB VAL 103 HB VAL 103 12.314 4.789 -2.446 771 1HG1 VAL 103 1HG1 VAL 103 11.441 7.489 -1.583 772 2HG1 VAL 103 2HG1 VAL 103 12.964 6.650 -1.286 773 3HG1 VAL 103 3HG1 VAL 103 11.543 6.271 -0.311 774 1HG2 VAL 103 1HG2 VAL 103 10.311 3.679 -2.126 775 2HG2 VAL 103 2HG2 VAL 103 9.369 5.170 -2.105 776 3HG2 VAL 103 3HG2 VAL 103 10.301 4.695 -0.684 777 H ALA 104 HN ALA 104 11.594 8.058 -5.226 778 HA ALA 104 HA ALA 104 13.698 7.174 -6.805 779 1HB ALA 104 HB1 ALA 104 12.674 9.339 -7.202 780 2HB ALA 104 HB2 ALA 104 14.404 9.581 -6.955 781 3HB ALA 104 HB3 ALA 104 13.268 9.947 -5.657 782 H GLY 105 HN GLY 105 16.055 7.659 -6.655 783 1HA GLY 105 HA2 GLY 105 17.014 7.156 -3.887 784 2HA GLY 105 HA1 GLY 105 17.944 6.873 -5.360 Start of MODEL 2 1 1H GLU 1 HT1 GLU 1 5.250 16.400 2.210 2 2H GLU 1 HT2 GLU 1 4.406 15.856 3.580 3 3H GLU 1 HT3 GLU 1 4.270 17.475 3.082 4 HA GLU 1 HA GLU 1 2.411 16.842 2.053 5 1HB GLU 1 HB2 GLU 1 4.407 16.893 0.288 6 2HB GLU 1 HB1 GLU 1 4.011 15.179 0.148 7 1HG GLU 1 HG2 GLU 1 2.127 15.624 -1.008 8 2HG GLU 1 HG1 GLU 1 1.610 16.825 0.176 9 H THR 2 HN THR 2 0.897 15.094 1.574 10 HA THR 2 HA THR 2 1.759 12.437 2.639 11 HB THR 2 HB THR 2 -1.064 13.111 3.092 12 HG1 THR 2 HG1 THR 2 -0.685 14.998 3.900 13 1HG2 THR 2 1HG2 THR 2 0.352 11.158 3.989 14 2HG2 THR 2 2HG2 THR 2 -0.679 11.997 5.148 15 3HG2 THR 2 3HG2 THR 2 1.051 12.336 5.101 16 H TYR 3 HN TYR 3 1.023 10.686 1.454 17 HA TYR 3 HA TYR 3 -0.666 11.342 -0.926 18 1HB TYR 3 HB2 TYR 3 1.412 9.171 -0.518 19 2HB TYR 3 HB1 TYR 3 0.390 9.310 -1.948 20 HD1 TYR 3 HD1 TYR 3 2.693 11.389 0.163 21 HD2 TYR 3 HD2 TYR 3 1.164 10.555 -3.764 22 HE1 TYR 3 HE1 TYR 3 4.274 13.038 -0.803 23 HE2 TYR 3 HE2 TYR 3 2.746 12.205 -4.730 24 HH TYR 3 HH TYR 3 4.232 14.518 -3.065 25 H THR 4 HN THR 4 -2.345 9.849 -1.482 26 HA THR 4 HA THR 4 -2.911 7.663 0.440 27 HB THR 4 HB THR 4 -4.946 9.813 -0.223 28 HG1 THR 4 HG1 THR 4 -4.594 10.537 1.829 29 1HG2 THR 4 1HG2 THR 4 -5.474 8.136 2.080 30 2HG2 THR 4 2HG2 THR 4 -5.253 7.154 0.631 31 3HG2 THR 4 3HG2 THR 4 -6.479 8.422 0.659 32 H VAL 5 HN VAL 5 -3.158 5.940 -0.901 33 HA VAL 5 HA VAL 5 -4.219 6.354 -3.629 34 HB VAL 5 HB VAL 5 -3.688 3.842 -3.780 35 1HG1 VAL 5 1HG1 VAL 5 -2.231 5.768 -4.579 36 2HG1 VAL 5 2HG1 VAL 5 -1.362 4.285 -4.188 37 3HG1 VAL 5 3HG1 VAL 5 -1.358 5.633 -3.052 38 1HG2 VAL 5 1HG2 VAL 5 -3.683 3.709 -1.192 39 2HG2 VAL 5 2HG2 VAL 5 -2.062 4.396 -1.300 40 3HG2 VAL 5 3HG2 VAL 5 -2.414 2.842 -2.056 41 H LYS 6 HN LYS 6 -6.428 6.856 -2.861 42 HA LYS 6 HA LYS 6 -8.087 5.330 -1.254 43 1HB LYS 6 HB2 LYS 6 -8.829 6.505 -3.952 44 2HB LYS 6 HB1 LYS 6 -9.967 6.050 -2.683 45 1HG LYS 6 HG2 LYS 6 -9.114 7.728 -1.196 46 2HG LYS 6 HG1 LYS 6 -7.738 8.052 -2.252 47 1HD LYS 6 HD2 LYS 6 -10.651 8.565 -2.928 48 2HD LYS 6 HD1 LYS 6 -9.453 9.794 -2.523 49 1HE LYS 6 HE2 LYS 6 -8.244 8.303 -4.551 50 2HE LYS 6 HE1 LYS 6 -9.925 8.452 -5.064 51 1HZ LYS 6 HZ1 LYS 6 -7.888 10.491 -4.778 52 2HZ LYS 6 HZ2 LYS 6 -9.422 10.924 -4.190 53 3HZ LYS 6 HZ3 LYS 6 -9.235 10.438 -5.808 54 H LEU 7 HN LEU 7 -8.186 3.129 -1.239 55 HA LEU 7 HA LEU 7 -7.976 1.641 -3.778 56 1HB LEU 7 HB2 LEU 7 -8.264 -0.326 -2.041 57 2HB LEU 7 HB1 LEU 7 -6.722 0.507 -2.184 58 HG LEU 7 HG LEU 7 -8.722 1.642 -0.285 59 1HD1 LEU 7 HD11 LEU 7 -8.834 -0.146 1.076 60 2HD1 LEU 7 HD12 LEU 7 -7.080 -0.329 1.047 61 3HD1 LEU 7 HD13 LEU 7 -8.069 -1.101 -0.193 62 1HD2 LEU 7 HD21 LEU 7 -5.732 1.148 -0.105 63 2HD2 LEU 7 HD22 LEU 7 -6.694 2.161 0.971 64 3HD2 LEU 7 HD23 LEU 7 -6.461 2.635 -0.711 65 H GLY 8 HN GLY 8 -10.052 2.335 -4.645 66 1HA GLY 8 HA2 GLY 8 -12.141 0.696 -4.760 67 2HA GLY 8 HA1 GLY 8 -12.453 1.400 -3.175 68 H SER 9 HN SER 9 -12.737 1.869 -6.567 69 HA SER 9 HA SER 9 -12.889 4.649 -6.856 70 1HB SER 9 HB2 SER 9 -14.420 4.247 -8.711 71 2HB SER 9 HB1 SER 9 -13.180 2.995 -8.706 72 HG SER 9 HG SER 9 -14.652 1.618 -7.693 73 H ASP 10 HN ASP 10 -15.959 2.874 -6.761 74 HA ASP 10 HA ASP 10 -16.944 4.014 -4.334 75 1HB ASP 10 HB2 ASP 10 -18.641 5.549 -5.726 76 2HB ASP 10 HB1 ASP 10 -17.099 6.170 -5.138 77 H LYS 11 HN LYS 11 -18.986 4.213 -7.171 78 HA LYS 11 HA LYS 11 -20.430 1.804 -6.186 79 1HB LYS 11 HB2 LYS 11 -21.371 4.282 -6.923 80 2HB LYS 11 HB1 LYS 11 -21.635 3.341 -8.391 81 1HG LYS 11 HG2 LYS 11 -22.874 1.652 -7.137 82 2HG LYS 11 HG1 LYS 11 -22.532 2.488 -5.622 83 1HD LYS 11 HD2 LYS 11 -23.862 4.380 -6.265 84 2HD LYS 11 HD1 LYS 11 -24.008 3.790 -7.921 85 1HE LYS 11 HE2 LYS 11 -24.935 1.693 -6.277 86 2HE LYS 11 HE1 LYS 11 -25.652 3.168 -5.627 87 1HZ LYS 11 HZ1 LYS 11 -26.012 1.920 -8.242 88 2HZ LYS 11 HZ2 LYS 11 -26.031 3.618 -8.181 89 3HZ LYS 11 HZ3 LYS 11 -27.139 2.719 -7.258 90 H GLY 12 HN GLY 12 -18.188 0.987 -7.400 91 1HA GLY 12 HA2 GLY 12 -19.209 -0.197 -9.914 92 2HA GLY 12 HA1 GLY 12 -17.692 0.699 -10.012 93 H LEU 13 HN LEU 13 -15.882 -0.075 -8.708 94 HA LEU 13 HA LEU 13 -16.155 -2.815 -7.609 95 1HB LEU 13 HB2 LEU 13 -15.269 -2.500 -10.189 96 2HB LEU 13 HB1 LEU 13 -13.754 -2.454 -9.287 97 HG LEU 13 HG LEU 13 -14.322 -4.573 -8.182 98 1HD1 LEU 13 HD11 LEU 13 -16.373 -5.765 -9.388 99 2HD1 LEU 13 HD12 LEU 13 -16.910 -4.100 -9.608 100 3HD1 LEU 13 HD13 LEU 13 -16.624 -4.727 -7.985 101 1HD2 LEU 13 HD21 LEU 13 -14.883 -5.134 -11.068 102 2HD2 LEU 13 HD22 LEU 13 -13.733 -5.911 -9.979 103 3HD2 LEU 13 HD23 LEU 13 -13.370 -4.324 -10.660 104 H LEU 14 HN LEU 14 -13.331 -3.204 -7.312 105 HA LEU 14 HA LEU 14 -12.677 -0.939 -5.469 106 1HB LEU 14 HB2 LEU 14 -12.004 -3.881 -5.161 107 2HB LEU 14 HB1 LEU 14 -11.520 -2.599 -4.049 108 HG LEU 14 HG LEU 14 -14.413 -3.112 -4.756 109 1HD1 LEU 14 HD11 LEU 14 -13.134 -5.094 -3.665 110 2HD1 LEU 14 HD12 LEU 14 -14.637 -4.560 -2.913 111 3HD1 LEU 14 HD13 LEU 14 -13.087 -4.074 -2.227 112 1HD2 LEU 14 HD21 LEU 14 -13.080 -1.058 -3.384 113 2HD2 LEU 14 HD22 LEU 14 -13.777 -2.067 -2.117 114 3HD2 LEU 14 HD23 LEU 14 -14.814 -1.378 -3.366 115 H VAL 15 HN VAL 15 -10.845 0.126 -6.035 116 HA VAL 15 HA VAL 15 -8.546 -1.337 -7.129 117 HB VAL 15 HB VAL 15 -8.412 0.152 -9.146 118 1HG1 VAL 15 1HG1 VAL 15 -9.303 -2.140 -9.324 119 2HG1 VAL 15 2HG1 VAL 15 -10.144 -1.055 -10.430 120 3HG1 VAL 15 3HG1 VAL 15 -10.916 -1.548 -8.923 121 1HG2 VAL 15 1HG2 VAL 15 -9.907 1.817 -9.496 122 2HG2 VAL 15 2HG2 VAL 15 -10.408 1.572 -7.823 123 3HG2 VAL 15 3HG2 VAL 15 -11.274 0.764 -9.130 124 H PHE 16 HN PHE 16 -6.607 0.011 -7.124 125 HA PHE 16 HA PHE 16 -6.577 1.932 -4.975 126 1HB PHE 16 HB2 PHE 16 -4.595 0.877 -6.937 127 2HB PHE 16 HB1 PHE 16 -4.223 2.415 -6.157 128 HD1 PHE 16 HD1 PHE 16 -3.665 -0.975 -5.876 129 HD2 PHE 16 HD2 PHE 16 -4.994 2.349 -3.501 130 HE1 PHE 16 HE1 PHE 16 -2.978 -2.171 -3.814 131 HE2 PHE 16 HE2 PHE 16 -4.308 1.153 -1.441 132 HZ PHE 16 HZ PHE 16 -3.298 -1.106 -1.596 133 H GLU 17 HN GLU 17 -6.028 4.209 -5.164 134 HA GLU 17 HA GLU 17 -6.277 5.500 -7.783 135 1HB GLU 17 HB2 GLU 17 -8.487 5.472 -5.776 136 2HB GLU 17 HB1 GLU 17 -8.175 6.983 -6.631 137 1HG GLU 17 HG2 GLU 17 -8.241 5.636 -8.790 138 2HG GLU 17 HG1 GLU 17 -8.858 4.290 -7.831 139 HA PRO 18 HA PRO 18 -4.954 6.394 -8.611 140 1HB PRO 18 HB2 PRO 18 -2.269 6.927 -8.780 141 2HB PRO 18 HB1 PRO 18 -3.524 8.147 -9.037 142 1HG PRO 18 HG2 PRO 18 -1.714 7.764 -6.702 143 2HG PRO 18 HG1 PRO 18 -2.496 9.243 -7.285 144 1HD PRO 18 HD2 PRO 18 -3.338 7.679 -5.090 145 2HD PRO 18 HD1 PRO 18 -4.284 8.950 -5.892 146 H ALA 19 HN ALA 19 -3.124 4.851 -9.588 147 HA ALA 19 HA ALA 19 -2.860 2.610 -7.692 148 1HB ALA 19 HB1 ALA 19 -1.913 1.569 -9.967 149 2HB ALA 19 HB2 ALA 19 -2.827 2.910 -10.660 150 3HB ALA 19 HB3 ALA 19 -3.645 1.706 -9.664 151 H LYS 20 HN LYS 20 -0.770 4.316 -10.049 152 HA LYS 20 HA LYS 20 1.639 3.231 -8.769 153 1HB LYS 20 HB2 LYS 20 0.972 4.541 -11.267 154 2HB LYS 20 HB1 LYS 20 2.364 5.320 -10.514 155 1HG LYS 20 HG2 LYS 20 3.135 2.815 -10.116 156 2HG LYS 20 HG1 LYS 20 2.064 2.502 -11.481 157 1HD LYS 20 HD2 LYS 20 4.256 4.593 -11.505 158 2HD LYS 20 HD1 LYS 20 4.444 2.963 -12.153 159 1HE LYS 20 HE2 LYS 20 3.701 3.896 -14.091 160 2HE LYS 20 HE1 LYS 20 2.110 3.737 -13.346 161 1HZ LYS 20 HZ1 LYS 20 3.780 6.114 -12.844 162 2HZ LYS 20 HZ2 LYS 20 2.095 5.943 -12.704 163 3HZ LYS 20 HZ3 LYS 20 2.820 6.015 -14.239 164 H LEU 21 HN LEU 21 3.261 4.582 -7.736 165 HA LEU 21 HA LEU 21 2.587 7.365 -7.113 166 1HB LEU 21 HB2 LEU 21 1.366 5.640 -5.482 167 2HB LEU 21 HB1 LEU 21 2.944 5.650 -4.693 168 HG LEU 21 HG LEU 21 2.314 8.350 -5.314 169 1HD1 LEU 21 HD11 LEU 21 0.201 8.636 -4.078 170 2HD1 LEU 21 HD12 LEU 21 0.068 6.887 -3.892 171 3HD1 LEU 21 HD13 LEU 21 -0.040 7.614 -5.495 172 1HD2 LEU 21 HD21 LEU 21 3.247 8.500 -3.270 173 2HD2 LEU 21 HD22 LEU 21 3.203 6.742 -3.144 174 3HD2 LEU 21 HD23 LEU 21 1.850 7.703 -2.548 175 H THR 22 HN THR 22 4.582 8.189 -7.582 176 HA THR 22 HA THR 22 7.011 6.716 -6.746 177 HB THR 22 HB THR 22 6.645 9.278 -8.331 178 HG1 THR 22 HG1 THR 22 7.593 6.733 -9.129 179 1HG2 THR 22 1HG2 THR 22 9.062 7.843 -7.291 180 2HG2 THR 22 2HG2 THR 22 8.755 9.577 -7.404 181 3HG2 THR 22 3HG2 THR 22 9.155 8.655 -8.854 182 H ILE 23 HN ILE 23 7.310 7.001 -4.557 183 HA ILE 23 HA ILE 23 7.015 9.733 -3.451 184 HB ILE 23 HB ILE 23 7.269 8.473 -1.230 185 1HG1 ILE 23 2HG1 ILE 23 6.300 6.002 -2.456 186 2HG1 ILE 23 1HG1 ILE 23 7.945 6.387 -2.957 187 1HG2 ILE 23 1HG2 ILE 23 5.065 8.799 -3.031 188 2HG2 ILE 23 2HG2 ILE 23 5.045 8.782 -1.267 189 3HG2 ILE 23 3HG2 ILE 23 4.864 7.275 -2.166 190 1HD1 ILE 23 HD11 ILE 23 8.779 6.285 -0.781 191 2HD1 ILE 23 HD12 ILE 23 7.554 5.017 -0.749 192 3HD1 ILE 23 HD13 ILE 23 7.203 6.600 -0.056 193 H LYS 24 HN LYS 24 8.666 9.979 -1.467 194 HA LYS 24 HA LYS 24 11.357 9.710 -2.683 195 1HB LYS 24 HB2 LYS 24 10.995 11.094 -0.067 196 2HB LYS 24 HB1 LYS 24 11.965 11.567 -1.462 197 1HG LYS 24 HG2 LYS 24 9.574 11.871 -2.586 198 2HG LYS 24 HG1 LYS 24 9.071 12.079 -0.908 199 1HD LYS 24 HD2 LYS 24 10.239 14.044 -0.656 200 2HD LYS 24 HD1 LYS 24 11.510 13.555 -1.777 201 1HE LYS 24 HE2 LYS 24 8.758 14.005 -2.865 202 2HE LYS 24 HE1 LYS 24 9.739 15.414 -2.459 203 1HZ LYS 24 HZ1 LYS 24 11.465 13.785 -3.779 204 2HZ LYS 24 HZ2 LYS 24 10.660 15.124 -4.447 205 3HZ LYS 24 HZ3 LYS 24 10.015 13.562 -4.630 206 HA PRO 25 HA PRO 25 12.701 6.751 0.282 207 1HB PRO 25 HB2 PRO 25 14.960 7.800 1.442 208 2HB PRO 25 HB1 PRO 25 14.901 7.183 -0.219 209 1HG PRO 25 HG2 PRO 25 15.016 10.001 0.729 210 2HG PRO 25 HG1 PRO 25 15.519 9.319 -0.827 211 1HD PRO 25 HD2 PRO 25 13.121 10.752 -0.307 212 2HD PRO 25 HD1 PRO 25 13.511 9.858 -1.792 213 H GLY 26 HN GLY 26 10.688 7.285 1.617 214 1HA GLY 26 HA2 GLY 26 10.450 6.982 4.109 215 2HA GLY 26 HA1 GLY 26 11.506 8.383 4.282 216 H ASP 27 HN ASP 27 8.756 7.873 2.072 217 HA ASP 27 HA ASP 27 7.623 10.444 3.028 218 1HB ASP 27 HB2 ASP 27 7.283 8.731 0.602 219 2HB ASP 27 HB1 ASP 27 5.929 9.749 1.087 220 H THR 28 HN THR 28 4.995 10.226 2.908 221 HA THR 28 HA THR 28 4.332 7.894 4.632 222 HB THR 28 HB THR 28 3.057 10.643 4.679 223 HG1 THR 28 HG1 THR 28 5.080 9.408 6.200 224 1HG2 THR 28 1HG2 THR 28 1.429 9.188 5.495 225 2HG2 THR 28 2HG2 THR 28 2.300 9.609 6.970 226 3HG2 THR 28 3HG2 THR 28 2.620 8.073 6.166 227 H VAL 29 HN VAL 29 2.816 6.550 3.790 228 HA VAL 29 HA VAL 29 1.059 7.623 1.641 229 HB VAL 29 HB VAL 29 1.606 4.698 1.797 230 1HG1 VAL 29 1HG1 VAL 29 0.116 5.970 0.113 231 2HG1 VAL 29 2HG1 VAL 29 1.267 4.806 -0.544 232 3HG1 VAL 29 3HG1 VAL 29 1.629 6.532 -0.601 233 1HG2 VAL 29 1HG2 VAL 29 3.723 4.902 0.625 234 2HG2 VAL 29 2HG2 VAL 29 3.837 5.813 2.129 235 3HG2 VAL 29 3HG2 VAL 29 3.589 6.659 0.602 236 H GLU 30 HN GLU 30 -1.130 7.340 1.947 237 HA GLU 30 HA GLU 30 -1.936 5.854 4.385 238 1HB GLU 30 HB2 GLU 30 -2.504 8.385 3.904 239 2HB GLU 30 HB1 GLU 30 -3.784 7.692 2.907 240 1HG GLU 30 HG2 GLU 30 -4.930 6.863 4.712 241 2HG GLU 30 HG1 GLU 30 -3.458 6.538 5.629 242 H PHE 31 HN PHE 31 -3.457 4.212 4.253 243 HA PHE 31 HA PHE 31 -4.590 3.602 1.559 244 1HB PHE 31 HB2 PHE 31 -3.834 1.272 3.236 245 2HB PHE 31 HB1 PHE 31 -3.715 1.484 1.490 246 HD1 PHE 31 HD1 PHE 31 -2.047 2.053 4.732 247 HD2 PHE 31 HD2 PHE 31 -1.734 2.517 0.471 248 HE1 PHE 31 HE1 PHE 31 0.365 2.547 4.962 249 HE2 PHE 31 HE2 PHE 31 0.679 3.011 0.706 250 HZ PHE 31 HZ PHE 31 1.728 3.027 2.952 251 H LEU 32 HN LEU 32 -6.691 4.219 2.181 252 HA LEU 32 HA LEU 32 -7.825 3.042 4.650 253 1HB LEU 32 HB2 LEU 32 -9.278 4.929 2.818 254 2HB LEU 32 HB1 LEU 32 -9.479 4.701 4.555 255 HG LEU 32 HG LEU 32 -6.783 5.436 4.195 256 1HD1 LEU 32 HD11 LEU 32 -7.370 7.770 3.114 257 2HD1 LEU 32 HD12 LEU 32 -8.673 6.860 2.348 258 3HD1 LEU 32 HD13 LEU 32 -6.994 6.391 2.080 259 1HD2 LEU 32 HD21 LEU 32 -7.544 7.504 5.380 260 2HD2 LEU 32 HD22 LEU 32 -8.170 6.028 6.115 261 3HD2 LEU 32 HD23 LEU 32 -9.214 7.016 5.093 262 H ASN 33 HN ASN 33 -10.151 2.274 4.455 263 HA ASN 33 HA ASN 33 -10.297 0.401 2.166 264 1HB ASN 33 HB2 ASN 33 -11.533 -0.987 3.537 265 2HB ASN 33 HB1 ASN 33 -10.624 -0.111 4.760 266 1HD2 ASN 33 HD21 ASN 33 -13.046 -1.293 5.450 267 2HD2 ASN 33 HD22 ASN 33 -14.192 -0.090 5.754 268 H ASN 34 HN ASN 34 -12.274 0.216 0.906 269 HA ASN 34 HA ASN 34 -13.683 2.825 0.691 270 1HB ASN 34 HB2 ASN 34 -12.593 1.584 -1.310 271 2HB ASN 34 HB1 ASN 34 -13.989 0.508 -1.219 272 1HD2 ASN 34 HD21 ASN 34 -15.515 1.164 -2.744 273 2HD2 ASN 34 HD22 ASN 34 -15.924 2.776 -3.081 274 H LYS 35 HN LYS 35 -15.781 0.820 -0.753 275 HA LYS 35 HA LYS 35 -17.318 0.432 1.775 276 1HB LYS 35 HB2 LYS 35 -18.068 1.813 -0.471 277 2HB LYS 35 HB1 LYS 35 -18.760 0.223 -0.795 278 1HG LYS 35 HG2 LYS 35 -19.818 0.262 1.465 279 2HG LYS 35 HG1 LYS 35 -19.204 1.900 1.693 280 1HD LYS 35 HD2 LYS 35 -20.710 1.401 -0.820 281 2HD LYS 35 HD1 LYS 35 -21.652 1.388 0.671 282 1HE LYS 35 HE2 LYS 35 -21.322 3.619 1.059 283 2HE LYS 35 HE1 LYS 35 -19.688 3.597 0.397 284 1HZ LYS 35 HZ1 LYS 35 -20.448 4.286 -1.550 285 2HZ LYS 35 HZ2 LYS 35 -21.983 4.489 -0.850 286 3HZ LYS 35 HZ3 LYS 35 -21.587 3.031 -1.625 287 H VAL 36 HN VAL 36 -15.326 -1.449 0.883 288 HA VAL 36 HA VAL 36 -17.023 -3.850 0.773 289 HB VAL 36 HB VAL 36 -14.872 -3.527 -1.324 290 1HG1 VAL 36 1HG1 VAL 36 -16.507 -5.310 -2.357 291 2HG1 VAL 36 2HG1 VAL 36 -17.062 -5.485 -0.691 292 3HG1 VAL 36 3HG1 VAL 36 -15.374 -5.797 -1.096 293 1HG2 VAL 36 1HG2 VAL 36 -17.844 -2.958 -1.559 294 2HG2 VAL 36 2HG2 VAL 36 -16.739 -3.089 -2.927 295 3HG2 VAL 36 3HG2 VAL 36 -16.538 -1.789 -1.751 296 HA PRO 37 HA PRO 37 -13.027 -4.176 3.116 297 1HB PRO 37 HB2 PRO 37 -14.172 -4.476 5.594 298 2HB PRO 37 HB1 PRO 37 -13.740 -2.904 4.902 299 1HG PRO 37 HG2 PRO 37 -16.435 -4.126 5.237 300 2HG PRO 37 HG1 PRO 37 -15.984 -2.415 5.138 301 1HD PRO 37 HD2 PRO 37 -17.102 -3.977 3.045 302 2HD PRO 37 HD1 PRO 37 -16.386 -2.358 2.884 303 HA PRO 38 HA PRO 38 -12.335 -4.864 5.248 304 1HB PRO 38 HB2 PRO 38 -10.487 -6.709 6.087 305 2HB PRO 38 HB1 PRO 38 -12.021 -6.428 6.931 306 1HG PRO 38 HG2 PRO 38 -11.221 -8.733 5.230 307 2HG PRO 38 HG1 PRO 38 -12.440 -8.656 6.511 308 1HD PRO 38 HD2 PRO 38 -12.917 -8.577 3.696 309 2HD PRO 38 HD1 PRO 38 -14.107 -8.306 4.986 310 H HIS 39 HN HIS 39 -9.989 -4.265 4.906 311 HA HIS 39 HA HIS 39 -8.974 -5.284 2.281 312 1HB HIS 39 HB2 HIS 39 -8.859 -2.494 3.455 313 2HB HIS 39 HB1 HIS 39 -7.913 -2.995 2.052 314 HD2 HIS 39 HD2 HIS 39 -11.768 -2.785 3.008 315 HE1 HIS 39 HE1 HIS 39 -11.387 -2.638 -1.190 316 HE2 HIS 39 HE2 HIS 39 -13.023 -2.603 0.740 317 H ASN 40 HN ASN 40 -6.809 -5.853 2.189 318 HA ASN 40 HA ASN 40 -5.253 -5.536 4.725 319 1HB ASN 40 HB2 ASN 40 -6.119 -7.917 3.709 320 2HB ASN 40 HB1 ASN 40 -4.539 -7.781 2.937 321 1HD2 ASN 40 HD21 ASN 40 -6.174 -7.998 6.085 322 2HD2 ASN 40 HD22 ASN 40 -4.774 -8.345 6.980 323 H VAL 41 HN VAL 41 -3.390 -4.411 4.459 324 HA VAL 41 HA VAL 41 -2.298 -4.162 1.683 325 HB VAL 41 HB VAL 41 -2.341 -2.239 4.018 326 1HG1 VAL 41 1HG1 VAL 41 -0.527 -2.291 1.604 327 2HG1 VAL 41 2HG1 VAL 41 -0.089 -2.065 3.297 328 3HG1 VAL 41 3HG1 VAL 41 -0.927 -0.782 2.425 329 1HG2 VAL 41 1HG2 VAL 41 -4.252 -2.060 2.569 330 2HG2 VAL 41 2HG2 VAL 41 -3.243 -2.161 1.126 331 3HG2 VAL 41 3HG2 VAL 41 -3.177 -0.726 2.151 332 H VAL 42 HN VAL 42 -0.185 -4.822 1.373 333 HA VAL 42 HA VAL 42 1.654 -4.996 3.649 334 HB VAL 42 HB VAL 42 1.536 -7.586 2.245 335 1HG1 VAL 42 1HG1 VAL 42 2.857 -6.788 4.358 336 2HG1 VAL 42 2HG1 VAL 42 2.159 -8.408 4.347 337 3HG1 VAL 42 3HG1 VAL 42 1.344 -7.102 5.207 338 1HG2 VAL 42 1HG2 VAL 42 -0.886 -7.098 2.394 339 2HG2 VAL 42 2HG2 VAL 42 -0.711 -6.764 4.116 340 3HG2 VAL 42 3HG2 VAL 42 -0.433 -8.393 3.502 341 H PHE 43 HN PHE 43 3.842 -5.815 2.888 342 HA PHE 43 HA PHE 43 4.240 -5.110 0.006 343 1HB PHE 43 HB2 PHE 43 6.329 -4.754 2.160 344 2HB PHE 43 HB1 PHE 43 6.271 -4.019 0.561 345 HD1 PHE 43 HD1 PHE 43 5.168 -1.954 0.209 346 HD2 PHE 43 HD2 PHE 43 4.543 -4.134 3.854 347 HE1 PHE 43 HE1 PHE 43 3.940 -0.021 1.157 348 HE2 PHE 43 HE2 PHE 43 3.317 -2.199 4.796 349 HZ PHE 43 HZ PHE 43 3.024 -0.147 3.459 350 H ASP 44 HN ASP 44 4.679 -6.976 -1.061 351 HA ASP 44 HA ASP 44 5.371 -9.452 -0.053 352 1HB ASP 44 HB2 ASP 44 4.972 -8.673 -2.520 353 2HB ASP 44 HB1 ASP 44 6.727 -8.498 -2.560 354 H ALA 45 HN ALA 45 7.270 -10.493 0.564 355 HA ALA 45 HA ALA 45 9.495 -8.721 1.311 356 1HB ALA 45 HB1 ALA 45 9.002 -10.141 3.092 357 2HB ALA 45 HB2 ALA 45 10.320 -11.013 2.308 358 3HB ALA 45 HB3 ALA 45 8.649 -11.506 2.032 359 H ALA 46 HN ALA 46 8.684 -10.528 -1.367 360 HA ALA 46 HA ALA 46 11.547 -11.150 -1.962 361 1HB ALA 46 HB1 ALA 46 9.034 -12.561 -2.487 362 2HB ALA 46 HB2 ALA 46 10.688 -13.172 -2.502 363 3HB ALA 46 HB3 ALA 46 10.028 -12.379 -3.933 364 H LEU 47 HN LEU 47 9.547 -8.680 -2.390 365 HA LEU 47 HA LEU 47 10.452 -8.212 -5.205 366 1HB LEU 47 HB2 LEU 47 7.810 -7.950 -3.969 367 2HB LEU 47 HB1 LEU 47 8.323 -6.483 -4.803 368 HG LEU 47 HG LEU 47 9.052 -8.229 -6.676 369 1HD1 LEU 47 HD11 LEU 47 7.022 -9.655 -4.971 370 2HD1 LEU 47 HD12 LEU 47 8.498 -10.289 -5.697 371 3HD1 LEU 47 HD13 LEU 47 7.091 -9.956 -6.707 372 1HD2 LEU 47 HD21 LEU 47 6.131 -7.519 -6.283 373 2HD2 LEU 47 HD22 LEU 47 6.980 -7.752 -7.812 374 3HD2 LEU 47 HD23 LEU 47 7.348 -6.352 -6.803 375 H ASN 48 HN ASN 48 12.010 -7.554 -2.895 376 HA ASN 48 HA ASN 48 11.746 -4.573 -2.859 377 1HB ASN 48 HB2 ASN 48 13.421 -4.991 -0.815 378 2HB ASN 48 HB1 ASN 48 11.673 -5.087 -0.609 379 1HD2 ASN 48 HD21 ASN 48 10.864 -7.049 0.176 380 2HD2 ASN 48 HD22 ASN 48 11.749 -8.496 0.248 381 HA PRO 49 HA PRO 49 15.647 -4.201 -4.804 382 1HB PRO 49 HB2 PRO 49 16.691 -2.009 -3.513 383 2HB PRO 49 HB1 PRO 49 15.383 -1.917 -4.706 384 1HG PRO 49 HG2 PRO 49 15.235 -1.671 -1.736 385 2HG PRO 49 HG1 PRO 49 14.178 -0.972 -2.973 386 1HD PRO 49 HD2 PRO 49 13.592 -3.242 -1.404 387 2HD PRO 49 HD1 PRO 49 12.736 -2.754 -2.882 388 H ALA 50 HN ALA 50 15.503 -4.943 -1.466 389 HA ALA 50 HA ALA 50 18.410 -5.627 -1.510 390 1HB ALA 50 HB1 ALA 50 17.062 -3.893 0.288 391 2HB ALA 50 HB2 ALA 50 18.728 -4.462 0.393 392 3HB ALA 50 HB3 ALA 50 17.437 -5.364 1.186 393 H LYS 51 HN LYS 51 15.959 -7.155 -2.197 394 HA LYS 51 HA LYS 51 14.857 -9.183 -1.614 395 1HB LYS 51 HB2 LYS 51 17.728 -9.988 -1.109 396 2HB LYS 51 HB1 LYS 51 16.414 -11.002 -1.706 397 1HG LYS 51 HG2 LYS 51 16.675 -10.278 -3.835 398 2HG LYS 51 HG1 LYS 51 16.829 -8.595 -3.327 399 1HD LYS 51 HD2 LYS 51 19.113 -8.697 -3.205 400 2HD LYS 51 HD1 LYS 51 19.111 -10.374 -2.659 401 1HE LYS 51 HE2 LYS 51 18.683 -9.376 -5.487 402 2HE LYS 51 HE1 LYS 51 20.037 -10.335 -4.890 403 1HZ LYS 51 HZ1 LYS 51 18.055 -11.909 -4.182 404 2HZ LYS 51 HZ2 LYS 51 18.764 -11.991 -5.724 405 3HZ LYS 51 HZ3 LYS 51 17.303 -11.153 -5.500 406 H SER 52 HN SER 52 15.027 -7.408 0.690 407 HA SER 52 HA SER 52 15.514 -9.389 2.877 408 1HB SER 52 HB2 SER 52 15.580 -6.370 2.822 409 2HB SER 52 HB1 SER 52 15.455 -7.265 4.334 410 HG SER 52 HG SER 52 17.402 -8.029 2.477 411 H ALA 53 HN ALA 53 13.960 -9.213 4.731 412 HA ALA 53 HA ALA 53 11.254 -8.295 3.865 413 1HB ALA 53 HB1 ALA 53 11.731 -10.863 3.709 414 2HB ALA 53 HB2 ALA 53 10.241 -10.321 4.482 415 3HB ALA 53 HB3 ALA 53 11.615 -10.817 5.469 416 H ASP 54 HN ASP 54 12.917 -6.784 5.506 417 HA ASP 54 HA ASP 54 11.817 -7.251 8.228 418 1HB ASP 54 HB2 ASP 54 14.271 -7.270 8.144 419 2HB ASP 54 HB1 ASP 54 14.265 -5.686 7.368 420 H LEU 55 HN LEU 55 12.794 -4.543 6.095 421 HA LEU 55 HA LEU 55 11.387 -2.507 7.455 422 1HB LEU 55 HB2 LEU 55 11.620 -1.200 5.471 423 2HB LEU 55 HB1 LEU 55 13.029 -2.260 5.512 424 HG LEU 55 HG LEU 55 11.457 -3.877 4.127 425 1HD1 LEU 55 HD11 LEU 55 9.553 -2.984 3.310 426 2HD1 LEU 55 HD12 LEU 55 10.402 -1.543 2.753 427 3HD1 LEU 55 HD13 LEU 55 9.804 -1.628 4.409 428 1HD2 LEU 55 HD21 LEU 55 13.619 -2.581 3.474 429 2HD2 LEU 55 HD22 LEU 55 12.520 -1.454 2.680 430 3HD2 LEU 55 HD23 LEU 55 12.564 -3.144 2.177 431 H ALA 56 HN ALA 56 10.225 -4.968 5.236 432 HA ALA 56 HA ALA 56 7.666 -3.757 4.707 433 1HB ALA 56 HB1 ALA 56 7.000 -6.002 3.949 434 2HB ALA 56 HB2 ALA 56 8.443 -6.690 4.694 435 3HB ALA 56 HB3 ALA 56 8.596 -5.588 3.325 436 H LYS 57 HN LYS 57 8.772 -6.122 7.139 437 HA LYS 57 HA LYS 57 6.253 -6.638 8.336 438 1HB LYS 57 HB2 LYS 57 9.037 -7.087 8.978 439 2HB LYS 57 HB1 LYS 57 8.157 -6.583 10.422 440 1HG LYS 57 HG2 LYS 57 7.577 -8.785 10.539 441 2HG LYS 57 HG1 LYS 57 6.376 -8.334 9.329 442 1HD LYS 57 HD2 LYS 57 7.675 -9.162 7.549 443 2HD LYS 57 HD1 LYS 57 9.157 -9.147 8.505 444 1HE LYS 57 HE2 LYS 57 8.738 -11.188 9.404 445 2HE LYS 57 HE1 LYS 57 7.027 -10.829 9.641 446 1HZ LYS 57 HZ1 LYS 57 6.516 -11.438 7.478 447 2HZ LYS 57 HZ2 LYS 57 7.661 -12.604 7.940 448 3HZ LYS 57 HZ3 LYS 57 8.120 -11.307 6.943 449 H SER 58 HN SER 58 8.585 -4.020 8.900 450 HA SER 58 HA SER 58 6.841 -2.823 10.955 451 1HB SER 58 HB2 SER 58 9.347 -1.659 9.716 452 2HB SER 58 HB1 SER 58 8.595 -1.197 11.240 453 HG SER 58 HG SER 58 9.121 -3.220 12.062 454 H LEU 59 HN LEU 59 6.284 -3.088 7.892 455 HA LEU 59 HA LEU 59 5.516 -0.219 7.511 456 1HB LEU 59 HB2 LEU 59 7.277 -1.468 5.923 457 2HB LEU 59 HB1 LEU 59 5.799 -2.036 5.160 458 HG LEU 59 HG LEU 59 5.030 0.308 4.936 459 1HD1 LEU 59 HD11 LEU 59 7.110 0.753 6.825 460 2HD1 LEU 59 HD12 LEU 59 6.010 1.944 6.133 461 3HD1 LEU 59 HD13 LEU 59 7.556 1.613 5.352 462 1HD2 LEU 59 HD21 LEU 59 7.462 -0.813 3.693 463 2HD2 LEU 59 HD22 LEU 59 7.294 0.934 3.514 464 3HD2 LEU 59 HD23 LEU 59 6.021 -0.140 2.932 465 H SER 60 HN SER 60 4.687 -3.594 6.740 466 HA SER 60 HA SER 60 1.978 -2.852 5.925 467 1HB SER 60 HB2 SER 60 1.688 -5.343 5.738 468 2HB SER 60 HB1 SER 60 3.037 -4.707 4.802 469 HG SER 60 HG SER 60 4.325 -5.868 5.967 470 H HIS 61 HN HIS 61 0.057 -3.737 6.987 471 HA HIS 61 HA HIS 61 0.423 -3.878 9.948 472 1HB HIS 61 HB2 HIS 61 -1.762 -2.921 10.170 473 2HB HIS 61 HB1 HIS 61 -0.939 -1.972 8.931 474 HD1 HIS 61 HD1 HIS 61 -3.336 -4.936 9.172 475 HD2 HIS 61 HD2 HIS 61 -2.297 -1.885 6.518 476 HE1 HIS 61 HE1 HIS 61 -4.959 -5.081 7.228 477 H LYS 62 HN LYS 62 -1.532 -5.154 10.974 478 HA LYS 62 HA LYS 62 -1.956 -7.634 9.349 479 1HB LYS 62 HB2 LYS 62 -1.876 -7.626 12.362 480 2HB LYS 62 HB1 LYS 62 -1.616 -8.973 11.253 481 1HG LYS 62 HG2 LYS 62 0.235 -6.585 11.347 482 2HG LYS 62 HG1 LYS 62 0.480 -8.006 12.362 483 1HD LYS 62 HD2 LYS 62 0.653 -9.439 10.412 484 2HD LYS 62 HD1 LYS 62 0.232 -8.101 9.343 485 1HE LYS 62 HE2 LYS 62 2.642 -8.388 9.294 486 2HE LYS 62 HE1 LYS 62 2.277 -6.891 10.151 487 1HZ LYS 62 HZ1 LYS 62 3.448 -9.337 11.135 488 2HZ LYS 62 HZ2 LYS 62 2.229 -8.702 12.134 489 3HZ LYS 62 HZ3 LYS 62 3.581 -7.755 11.730 490 H GLN 63 HN GLN 63 -3.757 -8.867 11.131 491 HA GLN 63 HA GLN 63 -6.052 -8.903 11.618 492 1HB GLN 63 HB2 GLN 63 -4.990 -6.557 12.769 493 2HB GLN 63 HB1 GLN 63 -6.481 -6.062 11.967 494 1HG GLN 63 HG2 GLN 63 -7.798 -7.563 13.225 495 2HG GLN 63 HG1 GLN 63 -6.400 -8.525 13.705 496 1HE2 GLN 63 1HE2 GLN 63 -7.880 -5.284 14.165 497 2HE2 GLN 63 2HE2 GLN 63 -7.196 -5.021 15.696 498 H LEU 64 HN LEU 64 -8.095 -7.108 11.027 499 HA LEU 64 HA LEU 64 -7.791 -6.663 8.086 500 1HB LEU 64 HB2 LEU 64 -10.261 -7.735 9.485 501 2HB LEU 64 HB1 LEU 64 -10.069 -7.476 7.750 502 HG LEU 64 HG LEU 64 -7.952 -9.043 8.097 503 1HD1 LEU 64 HD11 LEU 64 -9.577 -9.340 10.560 504 2HD1 LEU 64 HD12 LEU 64 -7.859 -9.646 10.301 505 3HD1 LEU 64 HD13 LEU 64 -9.053 -10.845 9.805 506 1HD2 LEU 64 HD21 LEU 64 -10.381 -10.690 8.199 507 2HD2 LEU 64 HD22 LEU 64 -9.198 -10.517 6.903 508 3HD2 LEU 64 HD23 LEU 64 -10.505 -9.345 7.065 509 H LEU 65 HN LEU 65 -9.473 -5.083 7.261 510 HA LEU 65 HA LEU 65 -9.870 -2.956 9.312 511 1HB LEU 65 HB2 LEU 65 -9.624 -2.928 6.307 512 2HB LEU 65 HB1 LEU 65 -10.331 -1.561 7.170 513 HG LEU 65 HG LEU 65 -8.318 -1.243 8.462 514 1HD1 LEU 65 HD11 LEU 65 -7.570 -3.900 7.256 515 2HD1 LEU 65 HD12 LEU 65 -7.540 -3.407 8.949 516 3HD1 LEU 65 HD13 LEU 65 -6.322 -2.795 7.831 517 1HD2 LEU 65 HD21 LEU 65 -7.040 -0.336 6.775 518 2HD2 LEU 65 HD22 LEU 65 -8.480 -0.712 5.828 519 3HD2 LEU 65 HD23 LEU 65 -7.096 -1.805 5.801 520 H MET 66 HN MET 66 -11.868 -3.185 10.223 521 HA MET 66 HA MET 66 -14.144 -3.997 8.490 522 1HB MET 66 HB2 MET 66 -14.206 -3.557 11.482 523 2HB MET 66 HB1 MET 66 -15.324 -4.504 10.500 524 1HG MET 66 HG2 MET 66 -14.029 -6.244 11.237 525 2HG MET 66 HG1 MET 66 -13.015 -5.757 9.878 526 1HE MET 66 HE1 MET 66 -12.820 -6.879 13.339 527 2HE MET 66 HE2 MET 66 -11.064 -6.737 13.346 528 3HE MET 66 HE3 MET 66 -11.878 -7.445 11.953 529 H SER 67 HN SER 67 -12.755 -1.227 10.004 530 HA SER 67 HA SER 67 -15.270 0.297 9.999 531 1HB SER 67 HB2 SER 67 -13.569 0.743 11.732 532 2HB SER 67 HB1 SER 67 -12.413 1.198 10.483 533 HG SER 67 HG SER 67 -13.865 2.862 11.625 534 HA PRO 68 HA PRO 68 -14.757 1.669 5.840 535 1HB PRO 68 HB2 PRO 68 -16.593 3.708 5.928 536 2HB PRO 68 HB1 PRO 68 -17.036 1.994 5.840 537 1HG PRO 68 HG2 PRO 68 -17.181 3.852 8.167 538 2HG PRO 68 HG1 PRO 68 -18.135 2.398 7.831 539 1HD PRO 68 HD2 PRO 68 -15.954 2.580 9.632 540 2HD PRO 68 HD1 PRO 68 -16.716 1.083 9.055 541 H GLY 69 HN GLY 69 -12.775 2.701 5.497 542 1HA GLY 69 HA2 GLY 69 -11.623 4.735 4.935 543 2HA GLY 69 HA1 GLY 69 -12.722 5.623 5.989 544 H GLN 70 HN GLN 70 -12.173 3.349 8.047 545 HA GLN 70 HA GLN 70 -9.976 4.772 9.357 546 1HB GLN 70 HB2 GLN 70 -12.094 3.014 10.156 547 2HB GLN 70 HB1 GLN 70 -10.564 2.346 10.720 548 1HG GLN 70 HG2 GLN 70 -10.656 3.831 12.415 549 2HG GLN 70 HG1 GLN 70 -10.352 5.090 11.217 550 1HE2 GLN 70 1HE2 GLN 70 -12.058 6.543 10.757 551 2HE2 GLN 70 2HE2 GLN 70 -13.620 6.402 11.408 552 H SER 71 HN SER 71 -8.012 4.380 8.401 553 HA SER 71 HA SER 71 -7.222 1.515 8.100 554 1HB SER 71 HB2 SER 71 -5.556 2.690 6.386 555 2HB SER 71 HB1 SER 71 -7.150 2.114 5.921 556 HG SER 71 HG SER 71 -6.210 4.576 5.813 557 H THR 72 HN THR 72 -4.554 1.809 7.660 558 HA THR 72 HA THR 72 -3.570 3.326 10.041 559 HB THR 72 HB THR 72 -3.513 0.861 10.396 560 HG1 THR 72 HG1 THR 72 -1.017 2.145 10.005 561 1HG2 THR 72 1HG2 THR 72 -2.818 0.808 7.697 562 2HG2 THR 72 2HG2 THR 72 -2.807 -0.567 8.801 563 3HG2 THR 72 3HG2 THR 72 -1.330 0.358 8.532 564 H SER 73 HN SER 73 -2.489 5.061 9.199 565 HA SER 73 HA SER 73 -1.249 4.945 6.553 566 1HB SER 73 HB2 SER 73 -0.452 7.267 7.182 567 2HB SER 73 HB1 SER 73 -2.200 7.056 7.243 568 HG SER 73 HG SER 73 -0.338 7.361 9.302 569 H THR 74 HN THR 74 0.605 3.825 6.334 570 HA THR 74 HA THR 74 2.466 3.574 8.599 571 HB THR 74 HB THR 74 3.013 2.522 5.838 572 HG1 THR 74 HG1 THR 74 1.347 1.273 5.936 573 1HG2 THR 74 1HG2 THR 74 4.488 1.196 6.922 574 2HG2 THR 74 2HG2 THR 74 3.344 0.830 8.213 575 3HG2 THR 74 3HG2 THR 74 4.292 2.316 8.270 576 H THR 75 HN THR 75 3.778 5.314 8.913 577 HA THR 75 HA THR 75 4.639 7.006 6.690 578 HB THR 75 HB THR 75 4.242 7.938 8.964 579 HG1 THR 75 HG1 THR 75 6.225 9.085 9.053 580 1HG2 THR 75 1HG2 THR 75 5.131 7.000 10.809 581 2HG2 THR 75 2HG2 THR 75 6.750 7.013 10.110 582 3HG2 THR 75 3HG2 THR 75 5.656 5.670 9.777 583 H PHE 76 HN PHE 76 5.880 5.692 5.330 584 HA PHE 76 HA PHE 76 7.692 3.709 5.857 585 1HB PHE 76 HB2 PHE 76 7.792 5.962 3.860 586 2HB PHE 76 HB1 PHE 76 9.079 4.757 3.919 587 HD1 PHE 76 HD1 PHE 76 8.467 3.948 1.645 588 HD2 PHE 76 HD2 PHE 76 5.675 3.796 4.910 589 HE1 PHE 76 HE1 PHE 76 7.062 2.355 0.372 590 HE2 PHE 76 HE2 PHE 76 4.274 2.203 3.631 591 HZ PHE 76 HZ PHE 76 4.967 1.489 1.363 592 HA PRO 77 HA PRO 77 10.967 5.293 8.272 593 1HB PRO 77 HB2 PRO 77 13.068 3.799 7.310 594 2HB PRO 77 HB1 PRO 77 11.799 3.154 8.366 595 1HG PRO 77 HG2 PRO 77 12.187 2.752 5.435 596 2HG PRO 77 HG1 PRO 77 11.408 1.691 6.621 597 1HD PRO 77 HD2 PRO 77 10.065 3.362 4.785 598 2HD PRO 77 HD1 PRO 77 9.338 2.592 6.212 599 H ALA 78 HN ALA 78 13.081 6.441 8.189 600 HA ALA 78 HA ALA 78 13.170 8.349 6.014 601 1HB ALA 78 HB1 ALA 78 14.661 7.881 8.545 602 2HB ALA 78 HB2 ALA 78 13.954 9.368 7.914 603 3HB ALA 78 HB3 ALA 78 15.501 8.794 7.292 604 H ASP 79 HN ASP 79 14.161 5.204 6.027 605 HA ASP 79 HA ASP 79 16.634 5.724 4.464 606 1HB ASP 79 HB2 ASP 79 15.618 3.502 6.088 607 2HB ASP 79 HB1 ASP 79 16.274 2.980 4.536 608 H ALA 80 HN ALA 80 13.778 3.579 4.166 609 HA ALA 80 HA ALA 80 12.762 2.748 2.199 610 1HB ALA 80 HB1 ALA 80 11.504 4.681 2.084 611 2HB ALA 80 HB2 ALA 80 12.394 4.830 0.568 612 3HB ALA 80 HB3 ALA 80 12.925 5.722 1.993 613 HA PRO 81 HA PRO 81 16.566 2.302 -0.238 614 1HB PRO 81 HB2 PRO 81 16.131 -0.361 -0.766 615 2HB PRO 81 HB1 PRO 81 16.937 0.229 0.697 616 1HG PRO 81 HG2 PRO 81 14.167 -0.838 0.380 617 2HG PRO 81 HG1 PRO 81 15.221 -0.858 1.803 618 1HD PRO 81 HD2 PRO 81 13.075 0.924 1.382 619 2HD PRO 81 HD1 PRO 81 14.366 1.123 2.587 620 H ALA 82 HN ALA 82 16.407 3.016 -2.321 621 HA ALA 82 HA ALA 82 14.158 3.264 -3.892 622 1HB ALA 82 HB1 ALA 82 16.765 2.426 -5.155 623 2HB ALA 82 HB2 ALA 82 16.596 4.000 -4.378 624 3HB ALA 82 HB3 ALA 82 15.574 3.580 -5.754 625 H GLY 83 HN GLY 83 12.845 1.909 -5.034 626 1HA GLY 83 HA2 GLY 83 13.388 -0.403 -6.414 627 2HA GLY 83 HA1 GLY 83 13.231 -0.975 -4.752 628 H GLU 84 HN GLU 84 11.430 -1.681 -6.875 629 HA GLU 84 HA GLU 84 9.021 -0.052 -6.609 630 1HB GLU 84 HB2 GLU 84 9.061 -2.868 -7.672 631 2HB GLU 84 HB1 GLU 84 8.056 -1.509 -8.178 632 1HG GLU 84 HG2 GLU 84 9.546 -1.077 -9.808 633 2HG GLU 84 HG1 GLU 84 10.737 -0.693 -8.564 634 H TYR 85 HN TYR 85 7.560 -0.241 -4.988 635 HA TYR 85 HA TYR 85 7.731 -2.624 -3.207 636 1HB TYR 85 HB2 TYR 85 6.391 0.072 -2.819 637 2HB TYR 85 HB1 TYR 85 6.382 -1.233 -1.634 638 HD1 TYR 85 HD1 TYR 85 8.826 0.655 -3.770 639 HD2 TYR 85 HD2 TYR 85 8.029 -1.215 0.014 640 HE1 TYR 85 HE1 TYR 85 11.039 1.403 -2.935 641 HE2 TYR 85 HE2 TYR 85 10.242 -0.468 0.848 642 HH TYR 85 HH TYR 85 12.486 1.340 -1.254 643 H THR 86 HN THR 86 6.618 -3.747 -5.113 644 HA THR 86 HA THR 86 3.946 -3.115 -5.868 645 HB THR 86 HB THR 86 5.258 -5.845 -5.793 646 HG1 THR 86 HG1 THR 86 6.157 -3.840 -6.999 647 1HG2 THR 86 1HG2 THR 86 2.666 -4.876 -6.658 648 2HG2 THR 86 2HG2 THR 86 3.263 -6.534 -6.572 649 3HG2 THR 86 3HG2 THR 86 3.566 -5.561 -8.012 650 H PHE 87 HN PHE 87 2.565 -2.747 -4.113 651 HA PHE 87 HA PHE 87 2.293 -4.925 -2.134 652 1HB PHE 87 HB2 PHE 87 0.618 -3.135 -1.133 653 2HB PHE 87 HB1 PHE 87 2.356 -2.989 -0.873 654 HD1 PHE 87 HD1 PHE 87 3.622 -1.225 -1.855 655 HD2 PHE 87 HD2 PHE 87 -0.484 -1.825 -2.944 656 HE1 PHE 87 HE1 PHE 87 3.626 0.941 -3.043 657 HE2 PHE 87 HE2 PHE 87 -0.489 0.340 -4.134 658 HZ PHE 87 HZ PHE 87 1.566 1.737 -4.186 659 H TYR 88 HN TYR 88 -0.012 -5.571 -1.590 660 HA TYR 88 HA TYR 88 -1.953 -5.053 -3.739 661 1HB TYR 88 HB2 TYR 88 -2.324 -7.460 -4.160 662 2HB TYR 88 HB1 TYR 88 -0.677 -6.985 -4.575 663 HD1 TYR 88 HD1 TYR 88 1.175 -7.376 -2.863 664 HD2 TYR 88 HD2 TYR 88 -2.736 -9.117 -2.521 665 HE1 TYR 88 HE1 TYR 88 2.063 -9.056 -1.270 666 HE2 TYR 88 HE2 TYR 88 -1.849 -10.798 -0.928 667 HH TYR 88 HH TYR 88 0.489 -11.843 -0.472 668 H CYS 89 HN CYS 89 -3.928 -6.749 -3.151 669 HA CYS 89 HA CYS 89 -4.440 -6.282 -0.240 670 1HB CYS 89 HB2 CYS 89 -5.854 -5.334 -2.446 671 2HB CYS 89 HB1 CYS 89 -6.803 -6.716 -1.900 672 H GLU 90 HN GLU 90 -4.933 -8.074 0.963 673 HA GLU 90 HA GLU 90 -4.680 -10.693 -0.179 674 1HB GLU 90 HB2 GLU 90 -4.103 -10.506 2.111 675 2HB GLU 90 HB1 GLU 90 -5.614 -9.701 2.516 676 1HG GLU 90 HG2 GLU 90 -6.878 -11.711 2.206 677 2HG GLU 90 HG1 GLU 90 -5.509 -12.529 1.451 678 HA PRO 91 HA PRO 91 -9.444 -10.856 0.154 679 1HB PRO 91 HB2 PRO 91 -10.772 -8.479 0.526 680 2HB PRO 91 HB1 PRO 91 -10.253 -9.528 1.857 681 1HG PRO 91 HG2 PRO 91 -9.095 -6.938 0.952 682 2HG PRO 91 HG1 PRO 91 -9.032 -7.698 2.551 683 1HD PRO 91 HD2 PRO 91 -6.949 -7.666 0.627 684 2HD PRO 91 HD1 PRO 91 -7.006 -8.654 2.101 685 H HIS 92 HN HIS 92 -8.409 -7.687 -1.153 686 HA HIS 92 HA HIS 92 -9.905 -8.320 -3.658 687 1HB HIS 92 HB2 HIS 92 -8.708 -5.624 -3.089 688 2HB HIS 92 HB1 HIS 92 -10.147 -6.027 -4.024 689 HD2 HIS 92 HD2 HIS 92 -12.489 -6.586 -2.409 690 HE1 HIS 92 HE1 HIS 92 -10.823 -5.119 1.169 691 HE2 HIS 92 HE2 HIS 92 -12.944 -5.934 0.062 692 H ARG 93 HN ARG 93 -7.894 -9.834 -3.915 693 HA ARG 93 HA ARG 93 -5.495 -8.367 -4.860 694 1HB ARG 93 HB2 ARG 93 -5.552 -10.566 -3.395 695 2HB ARG 93 HB1 ARG 93 -5.756 -11.356 -4.960 696 1HG ARG 93 HG2 ARG 93 -3.697 -9.374 -5.197 697 2HG ARG 93 HG1 ARG 93 -3.345 -10.388 -3.798 698 1HD ARG 93 HD2 ARG 93 -3.117 -12.305 -5.069 699 2HD ARG 93 HD1 ARG 93 -4.232 -11.738 -6.313 700 HE ARG 93 HE ARG 93 -2.071 -10.017 -6.526 701 1HH1 ARG 93 HH11 ARG 93 -1.518 -13.179 -5.642 702 2HH1 ARG 93 HH12 ARG 93 -0.626 -13.619 -7.059 703 1HH2 ARG 93 HH21 ARG 93 -1.344 -10.676 -8.747 704 2HH2 ARG 93 HH22 ARG 93 -0.529 -12.203 -8.818 705 H GLY 94 HN GLY 94 -5.023 -8.146 -7.014 706 1HA GLY 94 HA2 GLY 94 -5.111 -8.597 -9.343 707 2HA GLY 94 HA1 GLY 94 -6.236 -9.917 -9.015 708 H ALA 95 HN ALA 95 -7.501 -7.469 -7.298 709 HA ALA 95 HA ALA 95 -9.408 -6.809 -9.463 710 1HB ALA 95 HB1 ALA 95 -9.626 -5.887 -6.603 711 2HB ALA 95 HB2 ALA 95 -10.044 -7.541 -7.050 712 3HB ALA 95 HB3 ALA 95 -10.918 -6.187 -7.766 713 H GLY 96 HN GLY 96 -6.805 -5.639 -9.665 714 1HA GLY 96 HA2 GLY 96 -6.047 -3.499 -10.339 715 2HA GLY 96 HA1 GLY 96 -7.586 -2.824 -9.803 716 H MET 97 HN MET 97 -6.644 -4.633 -7.259 717 HA MET 97 HA MET 97 -5.628 -2.267 -5.828 718 1HB MET 97 HB2 MET 97 -6.269 -5.077 -4.877 719 2HB MET 97 HB1 MET 97 -5.791 -3.745 -3.824 720 1HG MET 97 HG2 MET 97 -7.923 -2.868 -5.545 721 2HG MET 97 HG1 MET 97 -8.402 -4.365 -4.745 722 1HE MET 97 HE1 MET 97 -10.038 -1.325 -3.024 723 2HE MET 97 HE2 MET 97 -9.764 -1.930 -4.656 724 3HE MET 97 HE3 MET 97 -8.844 -0.546 -4.071 725 H VAL 98 HN VAL 98 -3.798 -3.042 -7.742 726 HA VAL 98 HA VAL 98 -1.638 -4.289 -6.087 727 HB VAL 98 HB VAL 98 -2.031 -4.495 -9.089 728 1HG1 VAL 98 1HG1 VAL 98 0.223 -4.791 -9.015 729 2HG1 VAL 98 2HG1 VAL 98 -0.176 -6.376 -8.352 730 3HG1 VAL 98 3HG1 VAL 98 0.225 -5.043 -7.269 731 1HG2 VAL 98 1HG2 VAL 98 -3.210 -5.954 -6.978 732 2HG2 VAL 98 2HG2 VAL 98 -1.934 -6.988 -7.622 733 3HG2 VAL 98 3HG2 VAL 98 -3.200 -6.382 -8.689 734 H GLY 99 HN GLY 99 -1.274 -1.951 -5.491 735 1HA GLY 99 HA2 GLY 99 -0.095 -0.331 -7.663 736 2HA GLY 99 HA1 GLY 99 -0.501 0.263 -6.056 737 H LYS 100 HN LYS 100 2.023 0.755 -7.192 738 HA LYS 100 HA LYS 100 3.739 -0.761 -5.288 739 1HB LYS 100 HB2 LYS 100 4.887 -0.097 -7.969 740 2HB LYS 100 HB1 LYS 100 5.281 -1.426 -6.878 741 1HG LYS 100 HG2 LYS 100 3.114 -2.500 -7.422 742 2HG LYS 100 HG1 LYS 100 2.758 -1.187 -8.546 743 1HD LYS 100 HD2 LYS 100 5.140 -3.056 -8.733 744 2HD LYS 100 HD1 LYS 100 3.688 -3.149 -9.730 745 1HE LYS 100 HE2 LYS 100 4.133 -0.902 -10.619 746 2HE LYS 100 HE1 LYS 100 5.564 -0.769 -9.598 747 1HZ LYS 100 HZ1 LYS 100 5.333 -1.962 -12.126 748 2HZ LYS 100 HZ2 LYS 100 5.732 -3.173 -11.003 749 3HZ LYS 100 HZ3 LYS 100 6.718 -1.798 -11.161 750 H ILE 101 HN ILE 101 5.169 0.578 -4.226 751 HA ILE 101 HA ILE 101 4.989 3.452 -4.807 752 HB ILE 101 HB ILE 101 5.723 1.789 -2.522 753 1HG1 ILE 101 2HG1 ILE 101 4.970 4.694 -2.928 754 2HG1 ILE 101 1HG1 ILE 101 3.908 3.375 -2.435 755 1HG2 ILE 101 1HG2 ILE 101 7.490 3.181 -1.591 756 2HG2 ILE 101 2HG2 ILE 101 7.475 4.217 -3.018 757 3HG2 ILE 101 3HG2 ILE 101 8.030 2.548 -3.146 758 1HD1 ILE 101 HD11 ILE 101 5.220 5.093 -0.706 759 2HD1 ILE 101 HD12 ILE 101 6.260 3.671 -0.695 760 3HD1 ILE 101 HD13 ILE 101 4.560 3.518 -0.268 761 H THR 102 HN THR 102 6.610 4.699 -5.678 762 HA THR 102 HA THR 102 9.060 3.247 -6.594 763 HB THR 102 HB THR 102 8.684 5.759 -7.948 764 HG1 THR 102 HG1 THR 102 6.483 3.981 -7.888 765 1HG2 THR 102 1HG2 THR 102 9.854 3.515 -8.587 766 2HG2 THR 102 2HG2 THR 102 9.052 4.444 -9.854 767 3HG2 THR 102 3HG2 THR 102 8.254 3.036 -9.153 768 H VAL 103 HN VAL 103 10.446 3.705 -4.886 769 HA VAL 103 HA VAL 103 10.595 6.515 -3.943 770 HB VAL 103 HB VAL 103 11.996 4.067 -2.841 771 1HG1 VAL 103 1HG1 VAL 103 13.036 5.590 -1.552 772 2HG1 VAL 103 2HG1 VAL 103 11.463 6.026 -0.882 773 3HG1 VAL 103 3HG1 VAL 103 12.098 6.896 -2.278 774 1HG2 VAL 103 1HG2 VAL 103 9.835 3.469 -2.354 775 2HG2 VAL 103 2HG2 VAL 103 9.234 5.117 -2.530 776 3HG2 VAL 103 3HG2 VAL 103 10.054 4.633 -1.046 777 H ALA 104 HN ALA 104 11.769 7.540 -5.567 778 HA ALA 104 HA ALA 104 14.548 6.519 -5.995 779 1HB ALA 104 HB1 ALA 104 13.014 8.295 -7.903 780 2HB ALA 104 HB2 ALA 104 12.975 6.535 -8.011 781 3HB ALA 104 HB3 ALA 104 14.499 7.397 -8.217 782 H GLY 105 HN GLY 105 15.236 9.035 -7.391 783 1HA GLY 105 HA2 GLY 105 15.338 10.827 -4.994 784 2HA GLY 105 HA1 GLY 105 16.648 10.700 -6.170 Start of MODEL 3 1 1H GLU 1 HT1 GLU 1 4.694 15.780 2.407 2 2H GLU 1 HT2 GLU 1 5.830 15.997 1.162 3 3H GLU 1 HT3 GLU 1 6.283 16.239 2.782 4 HA GLU 1 HA GLU 1 6.345 13.861 1.268 5 1HB GLU 1 HB2 GLU 1 7.222 14.856 3.955 6 2HB GLU 1 HB1 GLU 1 7.276 13.121 3.637 7 1HG GLU 1 HG2 GLU 1 9.168 13.384 2.458 8 2HG GLU 1 HG1 GLU 1 8.334 14.478 1.353 9 H THR 2 HN THR 2 3.590 14.427 1.705 10 HA THR 2 HA THR 2 2.869 12.027 3.310 11 HB THR 2 HB THR 2 0.953 14.258 3.527 12 HG1 THR 2 HG1 THR 2 2.522 14.921 5.374 13 1HG2 THR 2 1HG2 THR 2 2.106 12.068 5.203 14 2HG2 THR 2 2HG2 THR 2 0.417 12.470 4.892 15 3HG2 THR 2 3HG2 THR 2 1.363 13.443 6.020 16 H TYR 3 HN TYR 3 1.638 10.722 2.072 17 HA TYR 3 HA TYR 3 -0.105 11.980 -0.008 18 1HB TYR 3 HB2 TYR 3 1.283 9.301 -0.287 19 2HB TYR 3 HB1 TYR 3 0.416 10.197 -1.535 20 HD1 TYR 3 HD1 TYR 3 1.555 11.722 -2.912 21 HD2 TYR 3 HD2 TYR 3 3.351 10.448 0.775 22 HE1 TYR 3 HE1 TYR 3 3.644 12.912 -3.519 23 HE2 TYR 3 HE2 TYR 3 5.441 11.638 0.168 24 HH TYR 3 HH TYR 3 5.601 13.785 -2.575 25 H THR 4 HN THR 4 -1.887 10.315 -0.678 26 HA THR 4 HA THR 4 -2.569 8.366 1.404 27 HB THR 4 HB THR 4 -4.272 10.838 0.980 28 HG1 THR 4 HG1 THR 4 -3.825 11.035 3.259 29 1HG2 THR 4 1HG2 THR 4 -5.331 8.439 1.367 30 2HG2 THR 4 2HG2 THR 4 -5.949 9.845 2.234 31 3HG2 THR 4 3HG2 THR 4 -4.836 8.734 3.034 32 H VAL 5 HN VAL 5 -3.277 6.671 0.210 33 HA VAL 5 HA VAL 5 -4.658 7.194 -2.363 34 HB VAL 5 HB VAL 5 -4.167 4.890 -2.881 35 1HG1 VAL 5 1HG1 VAL 5 -1.907 5.152 -3.164 36 2HG1 VAL 5 2HG1 VAL 5 -1.645 5.570 -1.471 37 3HG1 VAL 5 3HG1 VAL 5 -2.266 6.781 -2.592 38 1HG2 VAL 5 1HG2 VAL 5 -4.551 3.619 -0.974 39 2HG2 VAL 5 2HG2 VAL 5 -3.679 4.744 0.070 40 3HG2 VAL 5 3HG2 VAL 5 -2.787 3.650 -0.989 41 H LYS 6 HN LYS 6 -6.520 5.550 -2.802 42 HA LYS 6 HA LYS 6 -8.001 4.861 -0.322 43 1HB LYS 6 HB2 LYS 6 -8.827 7.084 -0.886 44 2HB LYS 6 HB1 LYS 6 -9.108 6.589 -2.555 45 1HG LYS 6 HG2 LYS 6 -10.845 5.073 -1.913 46 2HG LYS 6 HG1 LYS 6 -10.424 5.212 -0.206 47 1HD LYS 6 HD2 LYS 6 -10.997 7.683 -0.383 48 2HD LYS 6 HD1 LYS 6 -11.670 7.329 -1.974 49 1HE LYS 6 HE2 LYS 6 -13.533 6.409 -1.085 50 2HE LYS 6 HE1 LYS 6 -12.597 5.448 0.060 51 1HZ LYS 6 HZ1 LYS 6 -13.040 6.888 1.666 52 2HZ LYS 6 HZ2 LYS 6 -14.111 7.683 0.614 53 3HZ LYS 6 HZ3 LYS 6 -12.496 8.198 0.737 54 H LEU 7 HN LEU 7 -7.581 2.657 -0.968 55 HA LEU 7 HA LEU 7 -8.066 1.495 -3.466 56 1HB LEU 7 HB2 LEU 7 -8.886 -0.506 -1.909 57 2HB LEU 7 HB1 LEU 7 -7.188 -0.051 -1.987 58 HG LEU 7 HG LEU 7 -8.750 1.497 -0.031 59 1HD1 LEU 7 HD11 LEU 7 -8.430 -1.503 0.237 60 2HD1 LEU 7 HD12 LEU 7 -9.926 -0.572 0.326 61 3HD1 LEU 7 HD13 LEU 7 -8.724 -0.436 1.610 62 1HD2 LEU 7 HD21 LEU 7 -6.685 0.360 1.305 63 2HD2 LEU 7 HD22 LEU 7 -6.500 1.798 0.301 64 3HD2 LEU 7 HD23 LEU 7 -6.088 0.211 -0.348 65 H GLY 8 HN GLY 8 -9.891 2.188 -4.578 66 1HA GLY 8 HA2 GLY 8 -12.256 1.203 -4.827 67 2HA GLY 8 HA1 GLY 8 -12.518 1.821 -3.196 68 H SER 9 HN SER 9 -12.382 2.644 -6.557 69 HA SER 9 HA SER 9 -12.025 5.407 -6.561 70 1HB SER 9 HB2 SER 9 -13.907 5.331 -8.394 71 2HB SER 9 HB1 SER 9 -12.379 4.504 -8.685 72 HG SER 9 HG SER 9 -14.800 3.469 -8.646 73 H ASP 10 HN ASP 10 -15.383 4.631 -7.121 74 HA ASP 10 HA ASP 10 -16.498 5.300 -4.607 75 1HB ASP 10 HB2 ASP 10 -15.338 7.472 -4.954 76 2HB ASP 10 HB1 ASP 10 -16.230 7.690 -6.459 77 H LYS 11 HN LYS 11 -16.993 3.682 -7.012 78 HA LYS 11 HA LYS 11 -19.792 4.581 -7.509 79 1HB LYS 11 HB2 LYS 11 -17.902 4.874 -9.431 80 2HB LYS 11 HB1 LYS 11 -18.419 3.220 -9.760 81 1HG LYS 11 HG2 LYS 11 -20.827 4.458 -9.371 82 2HG LYS 11 HG1 LYS 11 -19.891 5.756 -10.112 83 1HD LYS 11 HD2 LYS 11 -19.359 4.378 -12.022 84 2HD LYS 11 HD1 LYS 11 -20.061 2.954 -11.253 85 1HE LYS 11 HE2 LYS 11 -22.032 5.022 -11.236 86 2HE LYS 11 HE1 LYS 11 -21.376 4.912 -12.869 87 1HZ LYS 11 HZ1 LYS 11 -23.302 3.338 -12.004 88 2HZ LYS 11 HZ2 LYS 11 -21.973 2.403 -11.509 89 3HZ LYS 11 HZ3 LYS 11 -22.157 2.824 -13.146 90 H GLY 12 HN GLY 12 -17.446 1.905 -7.710 91 1HA GLY 12 HA2 GLY 12 -18.885 0.012 -6.281 92 2HA GLY 12 HA1 GLY 12 -19.513 -0.126 -7.924 93 H LEU 13 HN LEU 13 -16.192 0.576 -6.829 94 HA LEU 13 HA LEU 13 -15.296 -2.077 -7.760 95 1HB LEU 13 HB2 LEU 13 -14.748 0.493 -9.194 96 2HB LEU 13 HB1 LEU 13 -13.463 -0.712 -9.117 97 HG LEU 13 HG LEU 13 -16.282 -1.282 -10.075 98 1HD1 LEU 13 HD11 LEU 13 -14.870 -1.571 -12.291 99 2HD1 LEU 13 HD12 LEU 13 -13.772 -0.446 -11.490 100 3HD1 LEU 13 HD13 LEU 13 -15.442 0.026 -11.806 101 1HD2 LEU 13 HD21 LEU 13 -14.119 -3.061 -10.903 102 2HD2 LEU 13 HD22 LEU 13 -15.660 -3.457 -10.141 103 3HD2 LEU 13 HD23 LEU 13 -14.278 -2.994 -9.148 104 H LEU 14 HN LEU 14 -12.988 -2.433 -7.201 105 HA LEU 14 HA LEU 14 -12.108 -0.630 -4.981 106 1HB LEU 14 HB2 LEU 14 -11.771 -3.632 -5.243 107 2HB LEU 14 HB1 LEU 14 -11.106 -2.647 -3.939 108 HG LEU 14 HG LEU 14 -14.034 -2.456 -4.539 109 1HD1 LEU 14 HD11 LEU 14 -12.948 -4.933 -4.167 110 2HD1 LEU 14 HD12 LEU 14 -14.575 -4.486 -3.654 111 3HD1 LEU 14 HD13 LEU 14 -13.244 -4.446 -2.498 112 1HD2 LEU 14 HD21 LEU 14 -14.135 -1.549 -2.426 113 2HD2 LEU 14 HD22 LEU 14 -12.446 -1.180 -2.777 114 3HD2 LEU 14 HD23 LEU 14 -12.856 -2.593 -1.805 115 H VAL 15 HN VAL 15 -10.507 0.568 -5.983 116 HA VAL 15 HA VAL 15 -8.145 -0.931 -6.946 117 HB VAL 15 HB VAL 15 -8.034 0.447 -9.022 118 1HG1 VAL 15 1HG1 VAL 15 -9.848 -0.743 -10.220 119 2HG1 VAL 15 2HG1 VAL 15 -10.585 -1.161 -8.673 120 3HG1 VAL 15 3HG1 VAL 15 -9.005 -1.815 -9.102 121 1HG2 VAL 15 1HG2 VAL 15 -9.332 2.370 -8.420 122 2HG2 VAL 15 2HG2 VAL 15 -10.727 1.378 -7.995 123 3HG2 VAL 15 3HG2 VAL 15 -10.247 1.547 -9.684 124 H PHE 16 HN PHE 16 -6.246 0.172 -6.472 125 HA PHE 16 HA PHE 16 -6.268 2.324 -4.628 126 1HB PHE 16 HB2 PHE 16 -4.181 1.154 -6.447 127 2HB PHE 16 HB1 PHE 16 -3.830 2.651 -5.585 128 HD1 PHE 16 HD1 PHE 16 -4.919 -0.884 -5.112 129 HD2 PHE 16 HD2 PHE 16 -3.299 2.643 -3.270 130 HE1 PHE 16 HE1 PHE 16 -4.443 -2.180 -3.052 131 HE2 PHE 16 HE2 PHE 16 -2.824 1.346 -1.210 132 HZ PHE 16 HZ PHE 16 -3.395 -1.062 -1.099 133 H GLU 17 HN GLU 17 -5.746 4.598 -4.967 134 HA GLU 17 HA GLU 17 -5.984 5.563 -7.766 135 1HB GLU 17 HB2 GLU 17 -7.915 6.041 -5.540 136 2HB GLU 17 HB1 GLU 17 -7.583 7.375 -6.645 137 1HG GLU 17 HG2 GLU 17 -8.211 4.634 -7.723 138 2HG GLU 17 HG1 GLU 17 -9.514 5.719 -7.233 139 HA PRO 18 HA PRO 18 -4.754 6.243 -8.872 140 1HB PRO 18 HB2 PRO 18 -2.107 6.572 -9.502 141 2HB PRO 18 HB1 PRO 18 -3.324 7.837 -9.719 142 1HG PRO 18 HG2 PRO 18 -1.186 7.609 -7.661 143 2HG PRO 18 HG1 PRO 18 -1.992 9.058 -8.285 144 1HD PRO 18 HD2 PRO 18 -2.532 7.779 -5.817 145 2HD PRO 18 HD1 PRO 18 -3.522 9.034 -6.589 146 H ALA 19 HN ALA 19 -3.211 4.460 -9.906 147 HA ALA 19 HA ALA 19 -2.983 2.317 -7.972 148 1HB ALA 19 HB1 ALA 19 -3.236 1.159 -9.887 149 2HB ALA 19 HB2 ALA 19 -1.580 1.591 -10.311 150 3HB ALA 19 HB3 ALA 19 -2.921 2.604 -10.848 151 H LYS 20 HN LYS 20 -0.581 4.111 -9.932 152 HA LYS 20 HA LYS 20 1.550 3.065 -8.138 153 1HB LYS 20 HB2 LYS 20 3.075 4.161 -9.862 154 2HB LYS 20 HB1 LYS 20 2.108 2.812 -10.457 155 1HG LYS 20 HG2 LYS 20 0.542 4.276 -11.515 156 2HG LYS 20 HG1 LYS 20 1.202 5.688 -10.688 157 1HD LYS 20 HD2 LYS 20 2.395 5.977 -12.604 158 2HD LYS 20 HD1 LYS 20 3.432 4.714 -11.941 159 1HE LYS 20 HE2 LYS 20 2.963 3.777 -14.002 160 2HE LYS 20 HE1 LYS 20 1.614 3.126 -13.071 161 1HZ LYS 20 HZ1 LYS 20 1.576 4.944 -15.253 162 2HZ LYS 20 HZ2 LYS 20 0.799 5.615 -13.900 163 3HZ LYS 20 HZ3 LYS 20 0.288 4.119 -14.523 164 H LEU 21 HN LEU 21 2.886 4.502 -6.958 165 HA LEU 21 HA LEU 21 2.155 7.386 -7.044 166 1HB LEU 21 HB2 LEU 21 1.486 5.520 -4.934 167 2HB LEU 21 HB1 LEU 21 2.565 6.774 -4.325 168 HG LEU 21 HG LEU 21 0.278 7.594 -6.074 169 1HD1 LEU 21 HD11 LEU 21 -1.341 7.363 -4.437 170 2HD1 LEU 21 HD12 LEU 21 -0.166 7.410 -3.122 171 3HD1 LEU 21 HD13 LEU 21 -0.361 5.942 -4.080 172 1HD2 LEU 21 HD21 LEU 21 2.178 8.766 -4.156 173 2HD2 LEU 21 HD22 LEU 21 0.517 9.311 -3.924 174 3HD2 LEU 21 HD23 LEU 21 1.308 9.533 -5.484 175 H THR 22 HN THR 22 3.889 8.751 -6.574 176 HA THR 22 HA THR 22 6.513 7.386 -6.165 177 HB THR 22 HB THR 22 5.993 10.187 -7.208 178 HG1 THR 22 HG1 THR 22 6.838 8.028 -8.780 179 1HG2 THR 22 1HG2 THR 22 8.318 10.087 -7.917 180 2HG2 THR 22 2HG2 THR 22 8.451 8.422 -7.349 181 3HG2 THR 22 3HG2 THR 22 8.229 9.734 -6.191 182 H ILE 23 HN ILE 23 7.492 7.691 -4.212 183 HA ILE 23 HA ILE 23 6.821 10.134 -2.670 184 HB ILE 23 HB ILE 23 6.800 8.682 -0.595 185 1HG1 ILE 23 2HG1 ILE 23 5.960 6.263 -1.835 186 2HG1 ILE 23 1HG1 ILE 23 7.494 6.712 -2.579 187 1HG2 ILE 23 1HG2 ILE 23 4.510 7.535 -1.668 188 2HG2 ILE 23 2HG2 ILE 23 4.782 8.947 -2.690 189 3HG2 ILE 23 3HG2 ILE 23 4.619 9.140 -0.945 190 1HD1 ILE 23 HD11 ILE 23 7.082 6.701 0.420 191 2HD1 ILE 23 HD12 ILE 23 8.608 6.788 -0.459 192 3HD1 ILE 23 HD13 ILE 23 7.672 5.294 -0.464 193 H LYS 24 HN LYS 24 8.383 10.219 -0.671 194 HA LYS 24 HA LYS 24 11.104 9.733 -1.745 195 1HB LYS 24 HB2 LYS 24 9.882 11.799 -0.149 196 2HB LYS 24 HB1 LYS 24 11.227 11.089 0.745 197 1HG LYS 24 HG2 LYS 24 12.587 12.388 -0.503 198 2HG LYS 24 HG1 LYS 24 12.199 11.331 -1.861 199 1HD LYS 24 HD2 LYS 24 10.321 13.565 -1.147 200 2HD LYS 24 HD1 LYS 24 11.780 13.920 -2.074 201 1HE LYS 24 HE2 LYS 24 10.812 13.136 -3.945 202 2HE LYS 24 HE1 LYS 24 10.540 11.575 -3.170 203 1HZ LYS 24 HZ1 LYS 24 8.713 13.773 -3.585 204 2HZ LYS 24 HZ2 LYS 24 8.652 13.097 -2.027 205 3HZ LYS 24 HZ3 LYS 24 8.394 12.118 -3.392 206 HA PRO 25 HA PRO 25 12.017 6.628 1.212 207 1HB PRO 25 HB2 PRO 25 14.521 7.331 2.105 208 2HB PRO 25 HB1 PRO 25 14.207 6.655 0.497 209 1HG PRO 25 HG2 PRO 25 14.843 9.468 1.258 210 2HG PRO 25 HG1 PRO 25 15.133 8.627 -0.274 211 1HD PRO 25 HD2 PRO 25 13.035 10.458 0.242 212 2HD PRO 25 HD1 PRO 25 13.150 9.368 -1.157 213 H GLY 26 HN GLY 26 10.419 7.131 2.855 214 1HA GLY 26 HA2 GLY 26 10.614 7.192 5.392 215 2HA GLY 26 HA1 GLY 26 11.505 8.699 5.167 216 H ASP 27 HN ASP 27 9.415 9.005 2.790 217 HA ASP 27 HA ASP 27 7.771 10.935 4.041 218 1HB ASP 27 HB2 ASP 27 7.320 9.269 1.549 219 2HB ASP 27 HB1 ASP 27 6.258 10.592 2.033 220 H THR 28 HN THR 28 5.179 10.538 3.842 221 HA THR 28 HA THR 28 4.621 7.990 5.272 222 HB THR 28 HB THR 28 3.391 10.714 5.786 223 HG1 THR 28 HG1 THR 28 5.522 10.379 6.604 224 1HG2 THR 28 1HG2 THR 28 2.013 9.698 7.395 225 2HG2 THR 28 2HG2 THR 28 2.991 8.231 7.440 226 3HG2 THR 28 3HG2 THR 28 1.960 8.560 6.048 227 H VAL 29 HN VAL 29 2.760 6.899 4.621 228 HA VAL 29 HA VAL 29 1.101 8.220 2.540 229 HB VAL 29 HB VAL 29 1.608 5.281 2.352 230 1HG1 VAL 29 1HG1 VAL 29 0.371 5.703 0.514 231 2HG1 VAL 29 2HG1 VAL 29 1.766 6.563 -0.137 232 3HG1 VAL 29 3HG1 VAL 29 0.519 7.445 0.746 233 1HG2 VAL 29 1HG2 VAL 29 3.599 5.837 0.870 234 2HG2 VAL 29 2HG2 VAL 29 3.869 6.062 2.597 235 3HG2 VAL 29 3HG2 VAL 29 3.563 7.458 1.563 236 H GLU 30 HN GLU 30 -0.970 8.275 3.252 237 HA GLU 30 HA GLU 30 -1.821 6.289 5.274 238 1HB GLU 30 HB2 GLU 30 -2.213 8.614 5.884 239 2HB GLU 30 HB1 GLU 30 -3.074 8.895 4.369 240 1HG GLU 30 HG2 GLU 30 -4.823 7.333 5.014 241 2HG GLU 30 HG1 GLU 30 -3.935 6.888 6.471 242 H PHE 31 HN PHE 31 -3.394 4.777 4.812 243 HA PHE 31 HA PHE 31 -4.757 5.013 2.160 244 1HB PHE 31 HB2 PHE 31 -4.314 2.265 3.137 245 2HB PHE 31 HB1 PHE 31 -4.110 2.926 1.518 246 HD1 PHE 31 HD1 PHE 31 -2.500 2.453 4.813 247 HD2 PHE 31 HD2 PHE 31 -1.966 3.801 0.769 248 HE1 PHE 31 HE1 PHE 31 -0.048 2.519 5.159 249 HE2 PHE 31 HE2 PHE 31 0.487 3.864 1.117 250 HZ PHE 31 HZ PHE 31 1.445 3.225 3.313 251 H LEU 32 HN LEU 32 -6.919 4.103 2.118 252 HA LEU 32 HA LEU 32 -8.024 3.301 4.749 253 1HB LEU 32 HB2 LEU 32 -9.778 5.091 3.179 254 2HB LEU 32 HB1 LEU 32 -9.508 5.028 4.916 255 HG LEU 32 HG LEU 32 -7.115 5.982 4.198 256 1HD1 LEU 32 HD11 LEU 32 -8.605 7.626 2.287 257 2HD1 LEU 32 HD12 LEU 32 -8.431 5.954 1.754 258 3HD1 LEU 32 HD13 LEU 32 -7.000 6.910 2.135 259 1HD2 LEU 32 HD21 LEU 32 -8.013 8.240 4.648 260 2HD2 LEU 32 HD22 LEU 32 -8.702 7.051 5.752 261 3HD2 LEU 32 HD23 LEU 32 -9.649 7.638 4.386 262 H ASN 33 HN ASN 33 -10.656 3.035 4.102 263 HA ASN 33 HA ASN 33 -10.590 1.110 1.811 264 1HB ASN 33 HB2 ASN 33 -12.007 -0.326 2.986 265 2HB ASN 33 HB1 ASN 33 -11.042 0.338 4.295 266 1HD2 ASN 33 HD21 ASN 33 -13.701 -0.699 4.646 267 2HD2 ASN 33 HD22 ASN 33 -14.675 0.587 5.150 268 H ASN 34 HN ASN 34 -12.884 0.850 0.816 269 HA ASN 34 HA ASN 34 -14.076 3.582 0.590 270 1HB ASN 34 HB2 ASN 34 -13.169 2.815 -1.527 271 2HB ASN 34 HB1 ASN 34 -14.032 1.283 -1.387 272 1HD2 ASN 34 HD21 ASN 34 -14.807 2.303 -3.634 273 2HD2 ASN 34 HD22 ASN 34 -16.243 3.197 -3.542 274 H LYS 35 HN LYS 35 -15.694 0.746 -0.663 275 HA LYS 35 HA LYS 35 -17.508 0.676 1.683 276 1HB LYS 35 HB2 LYS 35 -18.213 2.229 -0.426 277 2HB LYS 35 HB1 LYS 35 -18.868 0.679 -0.955 278 1HG LYS 35 HG2 LYS 35 -20.572 0.836 0.506 279 2HG LYS 35 HG1 LYS 35 -19.454 1.099 1.846 280 1HD LYS 35 HD2 LYS 35 -19.324 3.514 0.564 281 2HD LYS 35 HD1 LYS 35 -21.004 3.061 0.275 282 1HE LYS 35 HE2 LYS 35 -21.218 4.095 2.336 283 2HE LYS 35 HE1 LYS 35 -20.925 2.435 2.855 284 1HZ LYS 35 HZ1 LYS 35 -19.141 4.754 2.934 285 2HZ LYS 35 HZ2 LYS 35 -18.445 3.226 2.679 286 3HZ LYS 35 HZ3 LYS 35 -19.364 3.522 4.077 287 H VAL 36 HN VAL 36 -15.529 -1.157 0.608 288 HA VAL 36 HA VAL 36 -17.263 -3.532 0.392 289 HB VAL 36 HB VAL 36 -15.132 -2.963 -1.692 290 1HG1 VAL 36 1HG1 VAL 36 -16.785 -4.952 -2.629 291 2HG1 VAL 36 2HG1 VAL 36 -16.725 -5.312 -0.904 292 3HG1 VAL 36 3HG1 VAL 36 -15.232 -5.228 -1.839 293 1HG2 VAL 36 1HG2 VAL 36 -18.134 -2.654 -1.703 294 2HG2 VAL 36 2HG2 VAL 36 -17.250 -2.965 -3.197 295 3HG2 VAL 36 3HG2 VAL 36 -16.909 -1.512 -2.256 296 HA PRO 37 HA PRO 37 -13.219 -3.905 2.717 297 1HB PRO 37 HB2 PRO 37 -14.314 -4.058 5.232 298 2HB PRO 37 HB1 PRO 37 -13.808 -2.539 4.475 299 1HG PRO 37 HG2 PRO 37 -16.566 -3.603 4.892 300 2HG PRO 37 HG1 PRO 37 -16.018 -1.923 4.768 301 1HD PRO 37 HD2 PRO 37 -17.276 -3.402 2.716 302 2HD PRO 37 HD1 PRO 37 -16.405 -1.867 2.514 303 HA PRO 38 HA PRO 38 -12.537 -4.576 4.906 304 1HB PRO 38 HB2 PRO 38 -10.686 -6.473 5.626 305 2HB PRO 38 HB1 PRO 38 -12.165 -6.161 6.552 306 1HG PRO 38 HG2 PRO 38 -11.518 -8.462 4.778 307 2HG PRO 38 HG1 PRO 38 -12.653 -8.376 6.135 308 1HD PRO 38 HD2 PRO 38 -13.317 -8.265 3.369 309 2HD PRO 38 HD1 PRO 38 -14.407 -7.938 4.733 310 H HIS 39 HN HIS 39 -9.746 -5.125 4.743 311 HA HIS 39 HA HIS 39 -9.038 -5.744 1.982 312 1HB HIS 39 HB2 HIS 39 -9.001 -2.886 2.975 313 2HB HIS 39 HB1 HIS 39 -8.020 -3.432 1.613 314 HD2 HIS 39 HD2 HIS 39 -11.632 -2.306 2.295 315 HE1 HIS 39 HE1 HIS 39 -11.682 -4.181 -1.486 316 HE2 HIS 39 HE2 HIS 39 -13.032 -2.823 0.158 317 H ASN 40 HN ASN 40 -6.998 -6.568 2.014 318 HA ASN 40 HA ASN 40 -5.386 -6.112 4.474 319 1HB ASN 40 HB2 ASN 40 -5.996 -8.426 3.018 320 2HB ASN 40 HB1 ASN 40 -4.316 -8.075 2.610 321 1HD2 ASN 40 HD21 ASN 40 -2.982 -7.375 4.728 322 2HD2 ASN 40 HD22 ASN 40 -3.238 -8.363 6.084 323 H VAL 41 HN VAL 41 -4.099 -4.336 4.170 324 HA VAL 41 HA VAL 41 -2.789 -3.963 1.523 325 HB VAL 41 HB VAL 41 -3.167 -2.157 3.922 326 1HG1 VAL 41 1HG1 VAL 41 -1.171 -2.060 1.739 327 2HG1 VAL 41 2HG1 VAL 41 -1.142 -1.294 3.327 328 3HG1 VAL 41 3HG1 VAL 41 -2.058 -0.560 2.012 329 1HG2 VAL 41 1HG2 VAL 41 -4.542 -0.879 2.466 330 2HG2 VAL 41 2HG2 VAL 41 -4.984 -2.554 2.138 331 3HG2 VAL 41 3HG2 VAL 41 -3.915 -1.691 1.032 332 H VAL 42 HN VAL 42 -0.743 -4.733 1.316 333 HA VAL 42 HA VAL 42 1.185 -4.388 3.492 334 HB VAL 42 HB VAL 42 1.694 -6.971 3.297 335 1HG1 VAL 42 1HG1 VAL 42 0.542 -5.409 5.190 336 2HG1 VAL 42 2HG1 VAL 42 0.760 -7.148 5.383 337 3HG1 VAL 42 3HG1 VAL 42 -0.795 -6.508 4.852 338 1HG2 VAL 42 1HG2 VAL 42 0.052 -7.442 1.541 339 2HG2 VAL 42 2HG2 VAL 42 -1.241 -6.774 2.536 340 3HG2 VAL 42 3HG2 VAL 42 -0.433 -8.263 3.024 341 H PHE 43 HN PHE 43 3.376 -4.938 2.788 342 HA PHE 43 HA PHE 43 3.655 -4.658 -0.149 343 1HB PHE 43 HB2 PHE 43 5.945 -4.620 1.809 344 2HB PHE 43 HB1 PHE 43 5.790 -3.771 0.268 345 HD1 PHE 43 HD1 PHE 43 4.197 -1.821 0.083 346 HD2 PHE 43 HD2 PHE 43 5.132 -3.712 3.820 347 HE1 PHE 43 HE1 PHE 43 3.314 0.152 1.306 348 HE2 PHE 43 HE2 PHE 43 4.256 -1.746 5.024 349 HZ PHE 43 HZ PHE 43 3.354 0.177 3.791 350 H ASP 44 HN ASP 44 3.896 -6.506 -1.289 351 HA ASP 44 HA ASP 44 4.319 -9.079 -0.241 352 1HB ASP 44 HB2 ASP 44 3.624 -8.389 -2.625 353 2HB ASP 44 HB1 ASP 44 5.351 -8.246 -2.955 354 H ALA 45 HN ALA 45 6.102 -10.111 0.543 355 HA ALA 45 HA ALA 45 8.635 -8.655 0.648 356 1HB ALA 45 HB1 ALA 45 7.840 -9.919 2.613 357 2HB ALA 45 HB2 ALA 45 9.389 -10.544 2.048 358 3HB ALA 45 HB3 ALA 45 7.899 -11.411 1.676 359 H ALA 46 HN ALA 46 7.215 -10.578 -1.649 360 HA ALA 46 HA ALA 46 9.790 -11.833 -2.474 361 1HB ALA 46 HB1 ALA 46 7.243 -12.882 -2.387 362 2HB ALA 46 HB2 ALA 46 8.567 -13.526 -3.357 363 3HB ALA 46 HB3 ALA 46 7.399 -12.420 -4.081 364 H LEU 47 HN LEU 47 8.568 -8.934 -2.847 365 HA LEU 47 HA LEU 47 9.498 -8.730 -5.667 366 1HB LEU 47 HB2 LEU 47 6.912 -7.605 -4.558 367 2HB LEU 47 HB1 LEU 47 7.626 -7.077 -6.082 368 HG LEU 47 HG LEU 47 7.367 -10.009 -5.735 369 1HD1 LEU 47 HD11 LEU 47 5.042 -10.140 -5.952 370 2HD1 LEU 47 HD12 LEU 47 4.900 -8.472 -6.506 371 3HD1 LEU 47 HD13 LEU 47 5.224 -8.812 -4.806 372 1HD2 LEU 47 HD21 LEU 47 6.471 -8.245 -8.021 373 2HD2 LEU 47 HD22 LEU 47 6.976 -9.934 -8.078 374 3HD2 LEU 47 HD23 LEU 47 8.168 -8.667 -7.788 375 H ASN 48 HN ASN 48 11.159 -8.090 -3.642 376 HA ASN 48 HA ASN 48 10.890 -5.145 -3.252 377 1HB ASN 48 HB2 ASN 48 12.942 -5.693 -1.661 378 2HB ASN 48 HB1 ASN 48 11.288 -5.989 -1.129 379 1HD2 ASN 48 HD21 ASN 48 12.548 -7.632 0.307 380 2HD2 ASN 48 HD22 ASN 48 12.798 -9.180 -0.344 381 HA PRO 49 HA PRO 49 14.291 -4.359 -5.896 382 1HB PRO 49 HB2 PRO 49 15.464 -2.230 -4.612 383 2HB PRO 49 HB1 PRO 49 13.943 -2.117 -5.511 384 1HG PRO 49 HG2 PRO 49 14.381 -2.134 -2.563 385 2HG PRO 49 HG1 PRO 49 13.050 -1.430 -3.495 386 1HD PRO 49 HD2 PRO 49 12.967 -3.874 -2.067 387 2HD PRO 49 HD1 PRO 49 11.770 -3.315 -3.254 388 H ALA 50 HN ALA 50 14.958 -5.085 -2.541 389 HA ALA 50 HA ALA 50 17.730 -5.857 -3.342 390 1HB ALA 50 HB1 ALA 50 18.509 -5.256 -1.101 391 2HB ALA 50 HB2 ALA 50 16.869 -4.808 -0.630 392 3HB ALA 50 HB3 ALA 50 17.727 -3.863 -1.847 393 H LYS 51 HN LYS 51 15.172 -7.363 -3.197 394 HA LYS 51 HA LYS 51 14.276 -9.319 -2.173 395 1HB LYS 51 HB2 LYS 51 17.191 -10.044 -2.557 396 2HB LYS 51 HB1 LYS 51 15.847 -11.181 -2.440 397 1HG LYS 51 HG2 LYS 51 15.470 -9.066 -4.460 398 2HG LYS 51 HG1 LYS 51 16.810 -10.161 -4.800 399 1HD LYS 51 HD2 LYS 51 15.431 -12.013 -4.990 400 2HD LYS 51 HD1 LYS 51 14.205 -11.341 -3.915 401 1HE LYS 51 HE2 LYS 51 13.461 -9.795 -5.622 402 2HE LYS 51 HE1 LYS 51 14.795 -10.252 -6.681 403 1HZ LYS 51 HZ1 LYS 51 13.700 -12.625 -6.225 404 2HZ LYS 51 HZ2 LYS 51 13.251 -11.629 -7.526 405 3HZ LYS 51 HZ3 LYS 51 12.316 -11.652 -6.108 406 H SER 52 HN SER 52 15.049 -7.398 -0.152 407 HA SER 52 HA SER 52 16.328 -9.098 1.927 408 1HB SER 52 HB2 SER 52 15.572 -6.163 2.018 409 2HB SER 52 HB1 SER 52 16.497 -7.033 3.238 410 HG SER 52 HG SER 52 17.365 -7.148 0.587 411 H ALA 53 HN ALA 53 15.124 -7.916 4.179 412 HA ALA 53 HA ALA 53 12.230 -8.033 3.987 413 1HB ALA 53 HB1 ALA 53 11.841 -10.210 4.424 414 2HB ALA 53 HB2 ALA 53 12.952 -10.179 5.794 415 3HB ALA 53 HB3 ALA 53 13.561 -10.510 4.172 416 H ASP 54 HN ASP 54 12.772 -5.983 5.094 417 HA ASP 54 HA ASP 54 12.755 -6.345 7.996 418 1HB ASP 54 HB2 ASP 54 15.162 -6.285 7.574 419 2HB ASP 54 HB1 ASP 54 14.980 -4.815 6.618 420 H LEU 55 HN LEU 55 13.079 -3.935 5.371 421 HA LEU 55 HA LEU 55 11.861 -1.793 6.817 422 1HB LEU 55 HB2 LEU 55 11.820 -0.630 4.774 423 2HB LEU 55 HB1 LEU 55 13.150 -1.763 4.547 424 HG LEU 55 HG LEU 55 11.148 -3.312 3.653 425 1HD1 LEU 55 HD11 LEU 55 9.879 -1.445 2.157 426 2HD1 LEU 55 HD12 LEU 55 10.143 -0.516 3.633 427 3HD1 LEU 55 HD13 LEU 55 9.246 -2.033 3.695 428 1HD2 LEU 55 HD21 LEU 55 13.064 -2.877 2.298 429 2HD2 LEU 55 HD22 LEU 55 12.689 -1.156 2.192 430 3HD2 LEU 55 HD23 LEU 55 11.685 -2.332 1.343 431 H ALA 56 HN ALA 56 10.547 -4.655 5.463 432 HA ALA 56 HA ALA 56 7.819 -3.540 5.247 433 1HB ALA 56 HB1 ALA 56 8.546 -6.458 5.015 434 2HB ALA 56 HB2 ALA 56 8.862 -5.338 3.689 435 3HB ALA 56 HB3 ALA 56 7.211 -5.592 4.254 436 H LYS 57 HN LYS 57 9.756 -5.520 7.411 437 HA LYS 57 HA LYS 57 7.887 -6.815 8.982 438 1HB LYS 57 HB2 LYS 57 10.566 -5.862 9.340 439 2HB LYS 57 HB1 LYS 57 9.646 -5.513 10.805 440 1HG LYS 57 HG2 LYS 57 9.169 -8.189 9.639 441 2HG LYS 57 HG1 LYS 57 10.793 -7.931 10.279 442 1HD LYS 57 HD2 LYS 57 9.346 -6.834 12.281 443 2HD LYS 57 HD1 LYS 57 8.191 -8.041 11.711 444 1HE LYS 57 HE2 LYS 57 9.998 -9.769 11.870 445 2HE LYS 57 HE1 LYS 57 11.050 -8.546 12.584 446 1HZ LYS 57 HZ1 LYS 57 8.934 -10.041 13.787 447 2HZ LYS 57 HZ2 LYS 57 8.733 -8.369 14.015 448 3HZ LYS 57 HZ3 LYS 57 10.165 -9.132 14.519 449 H SER 58 HN SER 58 9.021 -3.502 9.732 450 HA SER 58 HA SER 58 6.506 -3.055 11.238 451 1HB SER 58 HB2 SER 58 9.182 -1.717 11.116 452 2HB SER 58 HB1 SER 58 7.791 -0.767 11.631 453 HG SER 58 HG SER 58 7.639 -1.938 13.401 454 H LEU 59 HN LEU 59 5.966 -3.274 8.572 455 HA LEU 59 HA LEU 59 5.311 -0.457 7.837 456 1HB LEU 59 HB2 LEU 59 7.277 -1.697 6.518 457 2HB LEU 59 HB1 LEU 59 5.921 -2.406 5.653 458 HG LEU 59 HG LEU 59 5.050 -0.038 5.328 459 1HD1 LEU 59 HD11 LEU 59 6.511 0.894 7.175 460 2HD1 LEU 59 HD12 LEU 59 6.574 1.794 5.660 461 3HD1 LEU 59 HD13 LEU 59 7.886 0.696 6.089 462 1HD2 LEU 59 HD21 LEU 59 6.175 0.094 3.319 463 2HD2 LEU 59 HD22 LEU 59 6.669 -1.534 3.784 464 3HD2 LEU 59 HD23 LEU 59 7.751 -0.169 4.066 465 H SER 60 HN SER 60 4.762 -3.797 6.677 466 HA SER 60 HA SER 60 2.038 -3.170 5.880 467 1HB SER 60 HB2 SER 60 2.250 -5.934 5.950 468 2HB SER 60 HB1 SER 60 2.613 -4.914 4.561 469 HG SER 60 HG SER 60 4.680 -5.208 4.893 470 H HIS 61 HN HIS 61 0.123 -4.043 6.806 471 HA HIS 61 HA HIS 61 0.337 -4.486 9.732 472 1HB HIS 61 HB2 HIS 61 -1.982 -3.877 9.832 473 2HB HIS 61 HB1 HIS 61 -1.221 -2.742 8.716 474 HD1 HIS 61 HD1 HIS 61 -3.435 -5.815 8.749 475 HD2 HIS 61 HD2 HIS 61 -2.132 -2.895 6.065 476 HE1 HIS 61 HE1 HIS 61 -4.804 -6.111 6.634 477 H LYS 62 HN LYS 62 -1.938 -5.952 10.239 478 HA LYS 62 HA LYS 62 -1.754 -8.397 8.560 479 1HB LYS 62 HB2 LYS 62 -0.396 -8.191 10.983 480 2HB LYS 62 HB1 LYS 62 -1.885 -9.037 11.407 481 1HG LYS 62 HG2 LYS 62 0.027 -9.820 9.186 482 2HG LYS 62 HG1 LYS 62 -0.152 -10.647 10.735 483 1HD LYS 62 HD2 LYS 62 -2.727 -10.663 9.943 484 2HD LYS 62 HD1 LYS 62 -1.946 -10.665 8.361 485 1HE LYS 62 HE2 LYS 62 -0.632 -12.506 10.189 486 2HE LYS 62 HE1 LYS 62 -2.346 -12.887 10.018 487 1HZ LYS 62 HZ1 LYS 62 -1.847 -12.527 7.514 488 2HZ LYS 62 HZ2 LYS 62 -1.438 -14.001 8.251 489 3HZ LYS 62 HZ3 LYS 62 -0.241 -12.829 7.967 490 H GLN 63 HN GLN 63 -3.343 -6.838 11.351 491 HA GLN 63 HA GLN 63 -5.709 -8.460 11.243 492 1HB GLN 63 HB2 GLN 63 -4.730 -6.340 12.840 493 2HB GLN 63 HB1 GLN 63 -6.275 -5.791 12.190 494 1HG GLN 63 HG2 GLN 63 -7.456 -7.595 13.139 495 2HG GLN 63 HG1 GLN 63 -5.990 -8.551 13.365 496 1HE2 GLN 63 1HE2 GLN 63 -8.203 -7.022 15.191 497 2HE2 GLN 63 2HE2 GLN 63 -7.228 -6.441 16.453 498 H LEU 64 HN LEU 64 -7.478 -8.307 9.915 499 HA LEU 64 HA LEU 64 -7.406 -6.775 7.522 500 1HB LEU 64 HB2 LEU 64 -9.714 -8.068 9.000 501 2HB LEU 64 HB1 LEU 64 -9.887 -7.319 7.413 502 HG LEU 64 HG LEU 64 -7.800 -8.854 6.833 503 1HD1 LEU 64 HD11 LEU 64 -7.230 -10.197 8.558 504 2HD1 LEU 64 HD12 LEU 64 -8.731 -11.070 8.248 505 3HD1 LEU 64 HD13 LEU 64 -8.692 -9.782 9.453 506 1HD2 LEU 64 HD21 LEU 64 -10.670 -9.809 7.082 507 2HD2 LEU 64 HD22 LEU 64 -9.431 -10.636 6.137 508 3HD2 LEU 64 HD23 LEU 64 -9.942 -9.008 5.689 509 H LEU 65 HN LEU 65 -9.184 -5.105 6.961 510 HA LEU 65 HA LEU 65 -9.449 -3.207 9.261 511 1HB LEU 65 HB2 LEU 65 -9.805 -1.841 6.775 512 2HB LEU 65 HB1 LEU 65 -8.522 -1.620 7.961 513 HG LEU 65 HG LEU 65 -8.483 -3.793 5.849 514 1HD1 LEU 65 HD11 LEU 65 -7.789 -0.924 5.729 515 2HD1 LEU 65 HD12 LEU 65 -8.137 -2.055 4.421 516 3HD1 LEU 65 HD13 LEU 65 -6.530 -2.012 5.145 517 1HD2 LEU 65 HD21 LEU 65 -5.905 -3.269 6.559 518 2HD2 LEU 65 HD22 LEU 65 -6.892 -4.510 7.331 519 3HD2 LEU 65 HD23 LEU 65 -6.731 -2.920 8.078 520 H MET 66 HN MET 66 -11.511 -2.745 9.852 521 HA MET 66 HA MET 66 -13.676 -3.340 7.874 522 1HB MET 66 HB2 MET 66 -13.258 -4.337 10.540 523 2HB MET 66 HB1 MET 66 -14.741 -3.381 10.503 524 1HG MET 66 HG2 MET 66 -15.624 -4.689 8.676 525 2HG MET 66 HG1 MET 66 -14.088 -5.530 8.470 526 1HE MET 66 HE1 MET 66 -15.688 -7.199 8.206 527 2HE MET 66 HE2 MET 66 -16.790 -7.886 9.397 528 3HE MET 66 HE3 MET 66 -15.124 -8.455 9.317 529 H SER 67 HN SER 67 -12.085 -0.830 9.055 530 HA SER 67 HA SER 67 -14.429 0.794 9.852 531 1HB SER 67 HB2 SER 67 -12.287 1.010 11.110 532 2HB SER 67 HB1 SER 67 -11.507 1.578 9.636 533 HG SER 67 HG SER 67 -13.223 3.226 9.629 534 HA PRO 68 HA PRO 68 -14.781 2.349 5.721 535 1HB PRO 68 HB2 PRO 68 -16.610 4.317 6.289 536 2HB PRO 68 HB1 PRO 68 -17.029 2.599 6.173 537 1HG PRO 68 HG2 PRO 68 -16.777 4.307 8.600 538 2HG PRO 68 HG1 PRO 68 -17.730 2.834 8.359 539 1HD PRO 68 HD2 PRO 68 -15.238 3.019 9.713 540 2HD PRO 68 HD1 PRO 68 -16.065 1.523 9.228 541 H GLY 69 HN GLY 69 -12.702 3.342 5.403 542 1HA GLY 69 HA2 GLY 69 -11.709 5.448 4.706 543 2HA GLY 69 HA1 GLY 69 -12.708 6.277 5.899 544 H GLN 70 HN GLN 70 -10.507 3.470 6.198 545 HA GLN 70 HA GLN 70 -8.413 4.868 7.529 546 1HB GLN 70 HB2 GLN 70 -10.312 5.152 9.215 547 2HB GLN 70 HB1 GLN 70 -10.219 3.408 9.470 548 1HG GLN 70 HG2 GLN 70 -7.762 3.696 9.971 549 2HG GLN 70 HG1 GLN 70 -8.016 5.439 9.922 550 1HE2 GLN 70 1HE2 GLN 70 -10.871 4.127 11.121 551 2HE2 GLN 70 2HE2 GLN 70 -10.533 4.238 12.779 552 H SER 71 HN SER 71 -7.017 3.433 6.490 553 HA SER 71 HA SER 71 -7.450 0.539 7.027 554 1HB SER 71 HB2 SER 71 -6.192 0.050 5.094 555 2HB SER 71 HB1 SER 71 -7.142 1.459 4.636 556 HG SER 71 HG SER 71 -4.506 1.173 4.659 557 H THR 72 HN THR 72 -4.396 2.275 6.396 558 HA THR 72 HA THR 72 -3.475 1.880 9.143 559 HB THR 72 HB THR 72 -3.054 -0.359 8.499 560 HG1 THR 72 HG1 THR 72 -0.672 -0.221 7.950 561 1HG2 THR 72 1HG2 THR 72 -3.201 -0.833 6.303 562 2HG2 THR 72 2HG2 THR 72 -1.532 -0.282 6.148 563 3HG2 THR 72 3HG2 THR 72 -2.862 0.841 5.862 564 H SER 73 HN SER 73 -2.589 3.909 9.338 565 HA SER 73 HA SER 73 -1.220 5.183 7.087 566 1HB SER 73 HB2 SER 73 -0.705 6.409 9.674 567 2HB SER 73 HB1 SER 73 -1.557 7.070 8.281 568 HG SER 73 HG SER 73 -3.427 6.185 9.005 569 H THR 74 HN THR 74 0.644 4.041 6.576 570 HA THR 74 HA THR 74 2.535 3.427 8.793 571 HB THR 74 HB THR 74 2.797 2.548 5.913 572 HG1 THR 74 HG1 THR 74 1.076 1.706 7.907 573 1HG2 THR 74 1HG2 THR 74 4.383 2.276 8.240 574 2HG2 THR 74 2HG2 THR 74 4.621 1.487 6.681 575 3HG2 THR 74 3HG2 THR 74 3.668 0.693 7.935 576 H THR 75 HN THR 75 4.264 4.735 9.071 577 HA THR 75 HA THR 75 4.882 6.761 7.010 578 HB THR 75 HB THR 75 4.861 7.658 9.220 579 HG1 THR 75 HG1 THR 75 6.750 8.130 7.899 580 1HG2 THR 75 1HG2 THR 75 5.008 6.114 10.867 581 2HG2 THR 75 2HG2 THR 75 6.751 6.353 10.750 582 3HG2 THR 75 3HG2 THR 75 5.981 5.027 9.878 583 H PHE 76 HN PHE 76 5.901 5.536 5.379 584 HA PHE 76 HA PHE 76 7.684 3.457 5.512 585 1HB PHE 76 HB2 PHE 76 7.636 5.880 3.730 586 2HB PHE 76 HB1 PHE 76 8.897 4.658 3.544 587 HD1 PHE 76 HD1 PHE 76 5.180 5.091 3.712 588 HD2 PHE 76 HD2 PHE 76 8.453 2.624 2.418 589 HE1 PHE 76 HE1 PHE 76 3.598 3.619 2.499 590 HE2 PHE 76 HE2 PHE 76 6.868 1.157 1.204 591 HZ PHE 76 HZ PHE 76 4.440 1.657 1.248 592 HA PRO 77 HA PRO 77 11.214 4.717 7.737 593 1HB PRO 77 HB2 PRO 77 13.133 3.183 6.501 594 2HB PRO 77 HB1 PRO 77 11.928 2.535 7.627 595 1HG PRO 77 HG2 PRO 77 12.031 2.311 4.651 596 2HG PRO 77 HG1 PRO 77 11.306 1.210 5.835 597 1HD PRO 77 HD2 PRO 77 9.894 3.060 4.242 598 2HD PRO 77 HD1 PRO 77 9.260 2.239 5.684 599 H ALA 78 HN ALA 78 13.321 5.810 7.549 600 HA ALA 78 HA ALA 78 13.360 7.771 5.408 601 1HB ALA 78 HB1 ALA 78 15.277 8.694 6.556 602 2HB ALA 78 HB2 ALA 78 15.512 7.200 7.462 603 3HB ALA 78 HB3 ALA 78 14.100 8.209 7.777 604 H ASP 79 HN ASP 79 14.188 4.617 5.272 605 HA ASP 79 HA ASP 79 16.684 5.038 3.725 606 1HB ASP 79 HB2 ASP 79 16.014 3.076 5.507 607 2HB ASP 79 HB1 ASP 79 15.582 2.307 3.979 608 H ALA 80 HN ALA 80 13.795 2.954 3.286 609 HA ALA 80 HA ALA 80 12.808 2.262 1.242 610 1HB ALA 80 HB1 ALA 80 11.591 4.006 0.295 611 2HB ALA 80 HB2 ALA 80 12.925 5.150 0.437 612 3HB ALA 80 HB3 ALA 80 11.999 4.695 1.866 613 HA PRO 81 HA PRO 81 16.794 2.553 -1.059 614 1HB PRO 81 HB2 PRO 81 17.131 -0.169 -1.265 615 2HB PRO 81 HB1 PRO 81 17.721 0.797 0.099 616 1HG PRO 81 HG2 PRO 81 15.377 -1.045 -0.023 617 2HG PRO 81 HG1 PRO 81 16.367 -0.579 1.370 618 1HD PRO 81 HD2 PRO 81 13.804 0.440 0.750 619 2HD PRO 81 HD1 PRO 81 14.946 1.134 1.922 620 H ALA 82 HN ALA 82 16.462 2.983 -3.185 621 HA ALA 82 HA ALA 82 15.611 2.850 -5.367 622 1HB ALA 82 HB1 ALA 82 17.072 0.793 -5.174 623 2HB ALA 82 HB2 ALA 82 15.789 0.680 -6.379 624 3HB ALA 82 HB3 ALA 82 15.609 -0.124 -4.820 625 H GLY 83 HN GLY 83 13.539 3.629 -5.505 626 1HA GLY 83 HA2 GLY 83 11.255 2.746 -4.201 627 2HA GLY 83 HA1 GLY 83 11.232 3.518 -5.787 628 H GLU 84 HN GLU 84 10.783 0.574 -4.097 629 HA GLU 84 HA GLU 84 9.815 -0.679 -6.540 630 1HB GLU 84 HB2 GLU 84 12.490 -1.066 -6.020 631 2HB GLU 84 HB1 GLU 84 11.756 -2.472 -5.248 632 1HG GLU 84 HG2 GLU 84 12.003 -3.265 -7.417 633 2HG GLU 84 HG1 GLU 84 10.376 -2.588 -7.504 634 H TYR 85 HN TYR 85 8.299 -0.071 -4.420 635 HA TYR 85 HA TYR 85 8.030 -2.616 -2.875 636 1HB TYR 85 HB2 TYR 85 6.649 -0.050 -2.123 637 2HB TYR 85 HB1 TYR 85 7.122 -1.399 -1.089 638 HD1 TYR 85 HD1 TYR 85 7.771 1.689 -0.861 639 HD2 TYR 85 HD2 TYR 85 9.936 -1.728 -2.304 640 HE1 TYR 85 HE1 TYR 85 9.912 2.830 -0.350 641 HE2 TYR 85 HE2 TYR 85 12.077 -0.588 -1.793 642 HH TYR 85 HH TYR 85 12.918 1.688 -1.495 643 H THR 86 HN THR 86 6.247 -3.832 -3.338 644 HA THR 86 HA THR 86 4.025 -2.464 -4.795 645 HB THR 86 HB THR 86 5.133 -5.250 -5.243 646 HG1 THR 86 HG1 THR 86 6.020 -3.095 -6.151 647 1HG2 THR 86 1HG2 THR 86 2.995 -3.974 -6.916 648 2HG2 THR 86 2HG2 THR 86 2.549 -4.784 -5.415 649 3HG2 THR 86 3HG2 THR 86 3.364 -5.684 -6.693 650 H PHE 87 HN PHE 87 2.278 -2.440 -3.497 651 HA PHE 87 HA PHE 87 1.906 -4.654 -1.578 652 1HB PHE 87 HB2 PHE 87 -0.066 -2.999 -0.875 653 2HB PHE 87 HB1 PHE 87 1.584 -2.767 -0.298 654 HD1 PHE 87 HD1 PHE 87 -1.056 -1.508 -2.479 655 HD2 PHE 87 HD2 PHE 87 3.073 -1.122 -1.379 656 HE1 PHE 87 HE1 PHE 87 -0.955 0.676 -3.634 657 HE2 PHE 87 HE2 PHE 87 3.181 1.063 -2.528 658 HZ PHE 87 HZ PHE 87 1.164 1.973 -3.660 659 H TYR 88 HN TYR 88 -0.414 -5.455 -1.365 660 HA TYR 88 HA TYR 88 -2.090 -5.087 -3.740 661 1HB TYR 88 HB2 TYR 88 -2.102 -7.469 -4.339 662 2HB TYR 88 HB1 TYR 88 -0.462 -6.826 -4.448 663 HD1 TYR 88 HD1 TYR 88 1.248 -7.433 -2.825 664 HD2 TYR 88 HD2 TYR 88 -2.751 -8.968 -2.506 665 HE1 TYR 88 HE1 TYR 88 2.022 -9.106 -1.168 666 HE2 TYR 88 HE2 TYR 88 -1.976 -10.643 -0.850 667 HH TYR 88 HH TYR 88 0.171 -10.660 0.881 668 H CYS 89 HN CYS 89 -3.702 -7.351 -3.366 669 HA CYS 89 HA CYS 89 -4.604 -7.100 -0.534 670 1HB CYS 89 HB2 CYS 89 -5.899 -5.946 -2.718 671 2HB CYS 89 HB1 CYS 89 -6.801 -7.432 -2.419 672 H GLU 90 HN GLU 90 -4.803 -9.086 0.359 673 HA GLU 90 HA GLU 90 -4.388 -11.490 -1.104 674 1HB GLU 90 HB2 GLU 90 -4.044 -11.136 1.382 675 2HB GLU 90 HB1 GLU 90 -5.788 -11.295 1.570 676 1HG GLU 90 HG2 GLU 90 -5.768 -13.542 1.140 677 2HG GLU 90 HG1 GLU 90 -4.461 -13.406 -0.037 678 HA PRO 91 HA PRO 91 -9.131 -12.084 -0.959 679 1HB PRO 91 HB2 PRO 91 -10.665 -9.882 -0.369 680 2HB PRO 91 HB1 PRO 91 -10.087 -11.029 0.851 681 1HG PRO 91 HG2 PRO 91 -9.138 -8.266 0.280 682 2HG PRO 91 HG1 PRO 91 -9.041 -9.197 1.783 683 1HD PRO 91 HD2 PRO 91 -6.932 -8.771 -0.067 684 2HD PRO 91 HD1 PRO 91 -6.926 -9.914 1.290 685 H HIS 92 HN HIS 92 -9.050 -8.574 -1.704 686 HA HIS 92 HA HIS 92 -10.310 -9.024 -4.290 687 1HB HIS 92 HB2 HIS 92 -8.919 -6.478 -3.448 688 2HB HIS 92 HB1 HIS 92 -10.298 -6.663 -4.533 689 HD2 HIS 92 HD2 HIS 92 -12.797 -6.672 -3.242 690 HE1 HIS 92 HE1 HIS 92 -11.354 -6.774 0.709 691 HE2 HIS 92 HE2 HIS 92 -13.426 -6.594 -0.725 692 H ARG 93 HN ARG 93 -8.195 -10.626 -4.460 693 HA ARG 93 HA ARG 93 -5.842 -9.250 -5.541 694 1HB ARG 93 HB2 ARG 93 -5.570 -11.360 -4.310 695 2HB ARG 93 HB1 ARG 93 -6.589 -12.191 -5.486 696 1HG ARG 93 HG2 ARG 93 -4.717 -12.614 -6.668 697 2HG ARG 93 HG1 ARG 93 -4.645 -10.889 -7.027 698 1HD ARG 93 HD2 ARG 93 -3.345 -10.521 -4.951 699 2HD ARG 93 HD1 ARG 93 -3.388 -12.254 -4.629 700 HE ARG 93 HE ARG 93 -1.586 -10.947 -6.449 701 1HH1 ARG 93 HH11 ARG 93 -2.218 -13.874 -5.117 702 2HH1 ARG 93 HH12 ARG 93 -1.837 -14.831 -6.509 703 1HH2 ARG 93 HH21 ARG 93 -1.675 -12.116 -8.660 704 2HH2 ARG 93 HH22 ARG 93 -1.531 -13.836 -8.516 705 H GLY 94 HN GLY 94 -6.069 -8.331 -7.538 706 1HA GLY 94 HA2 GLY 94 -6.040 -8.839 -9.963 707 2HA GLY 94 HA1 GLY 94 -7.329 -10.007 -9.668 708 H ALA 95 HN ALA 95 -8.049 -7.461 -7.716 709 HA ALA 95 HA ALA 95 -9.915 -6.359 -9.755 710 1HB ALA 95 HB1 ALA 95 -10.175 -5.555 -6.909 711 2HB ALA 95 HB2 ALA 95 -10.469 -7.259 -7.259 712 3HB ALA 95 HB3 ALA 95 -11.423 -6.015 -8.067 713 H GLY 96 HN GLY 96 -7.130 -5.574 -9.715 714 1HA GLY 96 HA2 GLY 96 -5.947 -3.564 -10.004 715 2HA GLY 96 HA1 GLY 96 -7.473 -2.707 -9.781 716 H MET 97 HN MET 97 -6.568 -4.930 -7.291 717 HA MET 97 HA MET 97 -6.182 -2.641 -5.451 718 1HB MET 97 HB2 MET 97 -6.317 -5.606 -4.820 719 2HB MET 97 HB1 MET 97 -6.423 -4.279 -3.664 720 1HG MET 97 HG2 MET 97 -8.368 -3.795 -5.686 721 2HG MET 97 HG1 MET 97 -8.533 -5.480 -5.189 722 1HE MET 97 HE1 MET 97 -7.813 -2.000 -2.684 723 2HE MET 97 HE2 MET 97 -9.411 -1.620 -3.322 724 3HE MET 97 HE3 MET 97 -8.099 -2.014 -4.430 725 H VAL 98 HN VAL 98 -4.079 -3.175 -7.359 726 HA VAL 98 HA VAL 98 -1.912 -4.003 -5.469 727 HB VAL 98 HB VAL 98 -2.061 -4.473 -8.463 728 1HG1 VAL 98 1HG1 VAL 98 0.189 -4.551 -8.388 729 2HG1 VAL 98 2HG1 VAL 98 0.061 -5.905 -7.264 730 3HG1 VAL 98 3HG1 VAL 98 0.177 -4.256 -6.649 731 1HG2 VAL 98 1HG2 VAL 98 -3.361 -5.943 -6.711 732 2HG2 VAL 98 2HG2 VAL 98 -1.760 -6.581 -6.338 733 3HG2 VAL 98 3HG2 VAL 98 -2.413 -6.734 -7.970 734 H GLY 99 HN GLY 99 -0.897 -2.120 -4.922 735 1HA GLY 99 HA2 GLY 99 -0.343 -0.177 -7.107 736 2HA GLY 99 HA1 GLY 99 -0.634 0.320 -5.443 737 H LYS 100 HN LYS 100 1.688 1.221 -6.469 738 HA LYS 100 HA LYS 100 3.693 -0.350 -4.958 739 1HB LYS 100 HB2 LYS 100 4.118 0.476 -7.847 740 2HB LYS 100 HB1 LYS 100 5.294 -0.336 -6.813 741 1HG LYS 100 HG2 LYS 100 3.832 -2.286 -6.627 742 2HG LYS 100 HG1 LYS 100 2.589 -1.473 -7.577 743 1HD LYS 100 HD2 LYS 100 5.316 -1.676 -8.771 744 2HD LYS 100 HD1 LYS 100 4.349 -3.150 -8.701 745 1HE LYS 100 HE2 LYS 100 2.709 -0.942 -9.580 746 2HE LYS 100 HE1 LYS 100 4.146 -1.065 -10.595 747 1HZ LYS 100 HZ1 LYS 100 3.137 -3.642 -10.080 748 2HZ LYS 100 HZ2 LYS 100 3.300 -2.842 -11.571 749 3HZ LYS 100 HZ3 LYS 100 1.876 -2.667 -10.661 750 H ILE 101 HN ILE 101 4.970 1.032 -3.810 751 HA ILE 101 HA ILE 101 4.682 3.921 -4.263 752 HB ILE 101 HB ILE 101 5.467 2.181 -2.065 753 1HG1 ILE 101 2HG1 ILE 101 4.621 5.068 -2.374 754 2HG1 ILE 101 1HG1 ILE 101 3.644 3.705 -1.828 755 1HG2 ILE 101 1HG2 ILE 101 7.222 3.552 -1.076 756 2HG2 ILE 101 2HG2 ILE 101 7.189 4.649 -2.456 757 3HG2 ILE 101 3HG2 ILE 101 7.762 2.994 -2.660 758 1HD1 ILE 101 HD11 ILE 101 5.344 5.450 -0.271 759 2HD1 ILE 101 HD12 ILE 101 5.890 3.781 -0.116 760 3HD1 ILE 101 HD13 ILE 101 4.228 4.204 0.289 761 H THR 102 HN THR 102 6.130 5.134 -5.415 762 HA THR 102 HA THR 102 8.595 3.758 -6.360 763 HB THR 102 HB THR 102 7.635 6.432 -7.361 764 HG1 THR 102 HG1 THR 102 6.748 3.860 -8.160 765 1HG2 THR 102 1HG2 THR 102 9.867 5.509 -8.013 766 2HG2 THR 102 2HG2 THR 102 8.779 5.721 -9.385 767 3HG2 THR 102 3HG2 THR 102 9.044 4.113 -8.710 768 H VAL 103 HN VAL 103 9.968 4.038 -4.606 769 HA VAL 103 HA VAL 103 10.380 6.789 -3.570 770 HB VAL 103 HB VAL 103 11.486 4.126 -2.628 771 1HG1 VAL 103 1HG1 VAL 103 12.157 6.873 -2.011 772 2HG1 VAL 103 2HG1 VAL 103 12.911 5.389 -1.430 773 3HG1 VAL 103 3HG1 VAL 103 11.518 6.060 -0.583 774 1HG2 VAL 103 1HG2 VAL 103 9.384 3.875 -1.816 775 2HG2 VAL 103 2HG2 VAL 103 8.958 5.547 -2.184 776 3HG2 VAL 103 3HG2 VAL 103 9.801 5.161 -0.683 777 H ALA 104 HN ALA 104 11.672 7.816 -5.096 778 HA ALA 104 HA ALA 104 13.756 6.642 -6.610 779 1HB ALA 104 HB1 ALA 104 14.349 8.820 -7.222 780 2HB ALA 104 HB2 ALA 104 13.964 9.477 -5.631 781 3HB ALA 104 HB3 ALA 104 12.665 9.028 -6.736 782 H GLY 105 HN GLY 105 15.740 5.917 -6.027 783 1HA GLY 105 HA2 GLY 105 17.659 7.006 -4.419 784 2HA GLY 105 HA1 GLY 105 16.615 6.207 -3.243 Start of MODEL 4 1 1H GLU 1 HT1 GLU 1 3.530 18.288 2.905 2 2H GLU 1 HT2 GLU 1 4.023 16.750 3.434 3 3H GLU 1 HT3 GLU 1 2.748 17.555 4.219 4 HA GLU 1 HA GLU 1 1.280 17.251 2.449 5 1HB GLU 1 HB2 GLU 1 3.511 17.630 0.887 6 2HB GLU 1 HB1 GLU 1 3.172 15.918 0.627 7 1HG GLU 1 HG2 GLU 1 0.716 17.457 0.593 8 2HG GLU 1 HG1 GLU 1 1.864 18.095 -0.584 9 H THR 2 HN THR 2 0.254 15.203 1.922 10 HA THR 2 HA THR 2 1.662 12.797 2.979 11 HB THR 2 HB THR 2 -1.206 13.542 3.627 12 HG1 THR 2 HG1 THR 2 -0.057 14.799 4.928 13 1HG2 THR 2 1HG2 THR 2 -0.233 11.592 5.382 14 2HG2 THR 2 2HG2 THR 2 0.346 11.091 3.792 15 3HG2 THR 2 3HG2 THR 2 -1.379 11.340 4.065 16 H TYR 3 HN TYR 3 1.440 11.071 1.627 17 HA TYR 3 HA TYR 3 -0.355 11.371 -0.709 18 1HB TYR 3 HB2 TYR 3 1.887 9.458 -0.033 19 2HB TYR 3 HB1 TYR 3 0.855 9.240 -1.446 20 HD1 TYR 3 HD1 TYR 3 3.179 11.628 0.221 21 HD2 TYR 3 HD2 TYR 3 1.174 10.529 -3.415 22 HE1 TYR 3 HE1 TYR 3 4.536 13.285 -1.027 23 HE2 TYR 3 HE2 TYR 3 2.531 12.187 -4.664 24 HH TYR 3 HH TYR 3 5.289 13.675 -3.338 25 H THR 4 HN THR 4 -1.931 9.760 -1.240 26 HA THR 4 HA THR 4 -2.426 7.561 0.640 27 HB THR 4 HB THR 4 -3.551 9.264 1.889 28 HG1 THR 4 HG1 THR 4 -5.152 7.935 1.990 29 1HG2 THR 4 1HG2 THR 4 -5.008 10.908 0.919 30 2HG2 THR 4 2HG2 THR 4 -4.966 10.102 -0.649 31 3HG2 THR 4 3HG2 THR 4 -3.524 10.909 -0.033 32 H VAL 5 HN VAL 5 -3.441 5.897 -0.431 33 HA VAL 5 HA VAL 5 -4.453 6.504 -3.174 34 HB VAL 5 HB VAL 5 -4.162 3.881 -3.314 35 1HG1 VAL 5 1HG1 VAL 5 -2.903 5.399 -4.710 36 2HG1 VAL 5 2HG1 VAL 5 -1.761 4.265 -3.988 37 3HG1 VAL 5 3HG1 VAL 5 -1.904 5.900 -3.345 38 1HG2 VAL 5 1HG2 VAL 5 -2.495 2.973 -1.872 39 2HG2 VAL 5 2HG2 VAL 5 -3.599 3.847 -0.810 40 3HG2 VAL 5 3HG2 VAL 5 -2.053 4.567 -1.260 41 H LYS 6 HN LYS 6 -6.645 6.835 -2.885 42 HA LYS 6 HA LYS 6 -8.234 5.407 -0.951 43 1HB LYS 6 HB2 LYS 6 -8.647 7.452 -2.972 44 2HB LYS 6 HB1 LYS 6 -9.955 6.270 -2.996 45 1HG LYS 6 HG2 LYS 6 -10.388 6.595 -0.643 46 2HG LYS 6 HG1 LYS 6 -8.951 7.605 -0.469 47 1HD LYS 6 HD2 LYS 6 -10.686 8.592 -2.584 48 2HD LYS 6 HD1 LYS 6 -11.540 8.496 -1.044 49 1HE LYS 6 HE2 LYS 6 -9.970 9.908 0.040 50 2HE LYS 6 HE1 LYS 6 -8.792 9.728 -1.260 51 1HZ LYS 6 HZ1 LYS 6 -9.671 11.714 -1.844 52 2HZ LYS 6 HZ2 LYS 6 -11.179 11.401 -1.127 53 3HZ LYS 6 HZ3 LYS 6 -10.796 10.723 -2.636 54 H LEU 7 HN LEU 7 -9.068 3.374 -1.116 55 HA LEU 7 HA LEU 7 -8.819 1.991 -3.730 56 1HB LEU 7 HB2 LEU 7 -9.655 0.044 -2.046 57 2HB LEU 7 HB1 LEU 7 -7.958 0.446 -2.279 58 HG LEU 7 HG LEU 7 -9.575 1.900 -0.201 59 1HD1 LEU 7 HD11 LEU 7 -8.512 -0.910 -0.092 60 2HD1 LEU 7 HD12 LEU 7 -10.041 -0.277 0.519 61 3HD1 LEU 7 HD13 LEU 7 -8.536 0.079 1.368 62 1HD2 LEU 7 HD21 LEU 7 -7.392 2.799 -0.554 63 2HD2 LEU 7 HD22 LEU 7 -6.670 1.195 -0.669 64 3HD2 LEU 7 HD23 LEU 7 -7.242 1.794 0.887 65 H GLY 8 HN GLY 8 -10.733 0.269 -3.973 66 1HA GLY 8 HA2 GLY 8 -13.014 0.008 -4.466 67 2HA GLY 8 HA1 GLY 8 -13.321 0.889 -2.967 68 H SER 9 HN SER 9 -12.796 1.247 -6.435 69 HA SER 9 HA SER 9 -12.777 3.996 -6.782 70 1HB SER 9 HB2 SER 9 -13.918 3.629 -8.922 71 2HB SER 9 HB1 SER 9 -12.746 2.345 -8.640 72 HG SER 9 HG SER 9 -14.585 1.164 -7.711 73 H ASP 10 HN ASP 10 -15.899 2.552 -7.516 74 HA ASP 10 HA ASP 10 -17.398 3.609 -5.343 75 1HB ASP 10 HB2 ASP 10 -16.782 5.818 -6.027 76 2HB ASP 10 HB1 ASP 10 -17.065 5.444 -7.728 77 H LYS 11 HN LYS 11 -17.479 3.258 -8.898 78 HA LYS 11 HA LYS 11 -19.985 1.662 -8.548 79 1HB LYS 11 HB2 LYS 11 -19.429 3.983 -10.304 80 2HB LYS 11 HB1 LYS 11 -20.236 2.624 -11.086 81 1HG LYS 11 HG2 LYS 11 -22.180 3.157 -10.091 82 2HG LYS 11 HG1 LYS 11 -21.420 3.067 -8.502 83 1HD LYS 11 HD2 LYS 11 -20.426 5.442 -9.444 84 2HD LYS 11 HD1 LYS 11 -22.041 5.429 -10.155 85 1HE LYS 11 HE2 LYS 11 -21.483 4.910 -7.221 86 2HE LYS 11 HE1 LYS 11 -21.950 6.481 -7.872 87 1HZ LYS 11 HZ1 LYS 11 -23.879 5.121 -8.910 88 2HZ LYS 11 HZ2 LYS 11 -23.966 5.599 -7.282 89 3HZ LYS 11 HZ3 LYS 11 -23.525 4.007 -7.681 90 H GLY 12 HN GLY 12 -17.149 0.825 -8.735 91 1HA GLY 12 HA2 GLY 12 -17.452 -0.941 -11.116 92 2HA GLY 12 HA1 GLY 12 -15.935 -0.070 -10.884 93 H LEU 13 HN LEU 13 -14.394 -1.052 -9.650 94 HA LEU 13 HA LEU 13 -15.271 -3.225 -7.794 95 1HB LEU 13 HB2 LEU 13 -12.746 -3.369 -9.452 96 2HB LEU 13 HB1 LEU 13 -13.518 -4.662 -8.534 97 HG LEU 13 HG LEU 13 -15.374 -3.530 -10.449 98 1HD1 LEU 13 HD11 LEU 13 -12.635 -3.768 -11.333 99 2HD1 LEU 13 HD12 LEU 13 -14.048 -3.237 -12.246 100 3HD1 LEU 13 HD13 LEU 13 -13.639 -4.952 -12.172 101 1HD2 LEU 13 HD21 LEU 13 -15.781 -5.693 -9.537 102 2HD2 LEU 13 HD22 LEU 13 -14.140 -6.235 -9.889 103 3HD2 LEU 13 HD23 LEU 13 -15.290 -5.994 -11.204 104 H LEU 14 HN LEU 14 -12.528 -3.817 -7.044 105 HA LEU 14 HA LEU 14 -11.961 -1.351 -5.456 106 1HB LEU 14 HB2 LEU 14 -11.260 -4.255 -4.923 107 2HB LEU 14 HB1 LEU 14 -10.786 -2.902 -3.895 108 HG LEU 14 HG LEU 14 -13.669 -3.066 -4.579 109 1HD1 LEU 14 HD11 LEU 14 -12.492 -5.432 -3.869 110 2HD1 LEU 14 HD12 LEU 14 -14.163 -5.007 -3.497 111 3HD1 LEU 14 HD13 LEU 14 -12.901 -4.765 -2.288 112 1HD2 LEU 14 HD21 LEU 14 -13.311 -2.810 -1.837 113 2HD2 LEU 14 HD22 LEU 14 -13.504 -1.476 -2.974 114 3HD2 LEU 14 HD23 LEU 14 -11.889 -2.009 -2.505 115 H VAL 15 HN VAL 15 -10.226 -0.222 -6.182 116 HA VAL 15 HA VAL 15 -7.815 -1.715 -7.043 117 HB VAL 15 HB VAL 15 -7.656 -0.001 -8.997 118 1HG1 VAL 15 1HG1 VAL 15 -9.766 -1.700 -9.913 119 2HG1 VAL 15 2HG1 VAL 15 -8.807 -2.603 -8.743 120 3HG1 VAL 15 3HG1 VAL 15 -8.030 -1.892 -10.157 121 1HG2 VAL 15 1HG2 VAL 15 -10.577 -0.075 -9.233 122 2HG2 VAL 15 2HG2 VAL 15 -9.467 1.272 -9.481 123 3HG2 VAL 15 3HG2 VAL 15 -10.028 0.881 -7.856 124 H PHE 16 HN PHE 16 -5.893 -0.307 -7.082 125 HA PHE 16 HA PHE 16 -6.032 1.704 -4.954 126 1HB PHE 16 HB2 PHE 16 -3.845 0.387 -6.530 127 2HB PHE 16 HB1 PHE 16 -3.497 1.898 -5.689 128 HD1 PHE 16 HD1 PHE 16 -4.328 2.026 -3.191 129 HD2 PHE 16 HD2 PHE 16 -3.681 -1.627 -5.355 130 HE1 PHE 16 HE1 PHE 16 -4.127 0.794 -1.049 131 HE2 PHE 16 HE2 PHE 16 -3.480 -2.860 -3.212 132 HZ PHE 16 HZ PHE 16 -3.701 -1.649 -1.059 133 H GLU 17 HN GLU 17 -5.901 3.919 -5.246 134 HA GLU 17 HA GLU 17 -5.629 4.876 -8.062 135 1HB GLU 17 HB2 GLU 17 -7.609 5.649 -5.930 136 2HB GLU 17 HB1 GLU 17 -7.206 6.767 -7.233 137 1HG GLU 17 HG2 GLU 17 -7.908 5.158 -8.908 138 2HG GLU 17 HG1 GLU 17 -8.157 3.922 -7.673 139 HA PRO 18 HA PRO 18 -4.498 5.765 -9.163 140 1HB PRO 18 HB2 PRO 18 -1.855 6.095 -9.817 141 2HB PRO 18 HB1 PRO 18 -3.048 7.401 -9.884 142 1HG PRO 18 HG2 PRO 18 -0.875 6.930 -7.903 143 2HG PRO 18 HG1 PRO 18 -1.662 8.449 -8.367 144 1HD PRO 18 HD2 PRO 18 -2.182 6.947 -6.024 145 2HD PRO 18 HD1 PRO 18 -3.162 8.289 -6.650 146 H ALA 19 HN ALA 19 -2.917 4.107 -10.408 147 HA ALA 19 HA ALA 19 -2.815 1.719 -8.789 148 1HB ALA 19 HB1 ALA 19 -2.370 2.447 -11.599 149 2HB ALA 19 HB2 ALA 19 -3.048 0.969 -10.917 150 3HB ALA 19 HB3 ALA 19 -1.299 1.164 -11.033 151 H LYS 20 HN LYS 20 -0.208 3.519 -10.464 152 HA LYS 20 HA LYS 20 1.726 2.358 -8.523 153 1HB LYS 20 HB2 LYS 20 2.123 3.852 -11.135 154 2HB LYS 20 HB1 LYS 20 3.441 3.300 -10.099 155 1HG LYS 20 HG2 LYS 20 1.642 1.111 -10.489 156 2HG LYS 20 HG1 LYS 20 2.013 1.806 -12.067 157 1HD LYS 20 HD2 LYS 20 4.122 1.111 -10.007 158 2HD LYS 20 HD1 LYS 20 3.640 0.027 -11.313 159 1HE LYS 20 HE2 LYS 20 4.121 2.586 -12.467 160 2HE LYS 20 HE1 LYS 20 5.487 2.219 -11.414 161 1HZ LYS 20 HZ1 LYS 20 5.248 1.310 -13.907 162 2HZ LYS 20 HZ2 LYS 20 4.548 0.020 -13.052 163 3HZ LYS 20 HZ3 LYS 20 6.135 0.516 -12.700 164 H LEU 21 HN LEU 21 3.345 3.890 -7.564 165 HA LEU 21 HA LEU 21 2.604 6.736 -7.589 166 1HB LEU 21 HB2 LEU 21 1.592 4.965 -5.579 167 2HB LEU 21 HB1 LEU 21 2.753 6.060 -4.828 168 HG LEU 21 HG LEU 21 0.546 7.007 -6.669 169 1HD1 LEU 21 HD11 LEU 21 0.577 6.449 -3.725 170 2HD1 LEU 21 HD12 LEU 21 -0.726 6.224 -4.890 171 3HD1 LEU 21 HD13 LEU 21 -0.330 7.843 -4.312 172 1HD2 LEU 21 HD21 LEU 21 1.444 8.890 -4.698 173 2HD2 LEU 21 HD22 LEU 21 1.574 9.000 -6.454 174 3HD2 LEU 21 HD23 LEU 21 2.854 8.222 -5.522 175 H THR 22 HN THR 22 4.507 7.794 -7.640 176 HA THR 22 HA THR 22 6.933 6.465 -6.574 177 HB THR 22 HB THR 22 6.538 8.985 -8.219 178 HG1 THR 22 HG1 THR 22 7.979 7.402 -9.540 179 1HG2 THR 22 1HG2 THR 22 8.484 9.107 -6.639 180 2HG2 THR 22 2HG2 THR 22 8.952 9.135 -8.340 181 3HG2 THR 22 3HG2 THR 22 9.131 7.654 -7.400 182 H ILE 23 HN ILE 23 7.133 6.797 -4.392 183 HA ILE 23 HA ILE 23 6.409 9.464 -3.316 184 HB ILE 23 HB ILE 23 6.547 8.269 -1.086 185 1HG1 ILE 23 2HG1 ILE 23 6.179 5.633 -2.226 186 2HG1 ILE 23 1HG1 ILE 23 7.740 6.289 -2.711 187 1HG2 ILE 23 1HG2 ILE 23 4.333 7.796 -1.273 188 2HG2 ILE 23 2HG2 ILE 23 4.585 6.702 -2.634 189 3HG2 ILE 23 3HG2 ILE 23 4.513 8.444 -2.904 190 1HD1 ILE 23 HD11 ILE 23 6.738 6.243 0.149 191 2HD1 ILE 23 HD12 ILE 23 8.347 6.710 -0.399 192 3HD1 ILE 23 HD13 ILE 23 7.821 5.034 -0.539 193 H LYS 24 HN LYS 24 7.826 10.117 -1.387 194 HA LYS 24 HA LYS 24 10.631 9.989 -2.283 195 1HB LYS 24 HB2 LYS 24 8.986 11.818 -0.679 196 2HB LYS 24 HB1 LYS 24 10.576 11.523 0.026 197 1HG LYS 24 HG2 LYS 24 11.098 13.260 -1.415 198 2HG LYS 24 HG1 LYS 24 11.371 11.884 -2.486 199 1HD LYS 24 HD2 LYS 24 8.578 12.837 -2.396 200 2HD LYS 24 HD1 LYS 24 9.726 13.986 -3.084 201 1HE LYS 24 HE2 LYS 24 10.375 12.503 -4.795 202 2HE LYS 24 HE1 LYS 24 9.743 11.097 -3.938 203 1HZ LYS 24 HZ1 LYS 24 7.495 12.158 -4.202 204 2HZ LYS 24 HZ2 LYS 24 8.208 11.579 -5.630 205 3HZ LYS 24 HZ3 LYS 24 8.214 13.243 -5.287 206 HA PRO 25 HA PRO 25 11.934 7.235 0.861 207 1HB PRO 25 HB2 PRO 25 14.255 8.396 1.775 208 2HB PRO 25 HB1 PRO 25 14.114 7.587 0.205 209 1HG PRO 25 HG2 PRO 25 14.235 10.508 0.809 210 2HG PRO 25 HG1 PRO 25 14.738 9.642 -0.653 211 1HD PRO 25 HD2 PRO 25 12.348 11.114 -0.355 212 2HD PRO 25 HD1 PRO 25 12.694 9.949 -1.651 213 H GLY 26 HN GLY 26 10.018 7.892 2.284 214 1HA GLY 26 HA2 GLY 26 10.253 7.989 4.892 215 2HA GLY 26 HA1 GLY 26 10.867 9.610 4.577 216 H ASP 27 HN ASP 27 8.870 9.787 2.252 217 HA ASP 27 HA ASP 27 6.886 11.314 3.460 218 1HB ASP 27 HB2 ASP 27 6.724 9.574 0.990 219 2HB ASP 27 HB1 ASP 27 5.435 10.676 1.470 220 H THR 28 HN THR 28 4.453 10.657 3.531 221 HA THR 28 HA THR 28 4.252 8.030 4.917 222 HB THR 28 HB THR 28 2.301 10.259 5.390 223 HG1 THR 28 HG1 THR 28 3.733 11.405 6.386 224 1HG2 THR 28 1HG2 THR 28 3.308 8.715 7.649 225 2HG2 THR 28 2HG2 THR 28 2.661 7.680 6.376 226 3HG2 THR 28 3HG2 THR 28 1.649 8.934 7.093 227 H VAL 29 HN VAL 29 3.063 6.583 3.767 228 HA VAL 29 HA VAL 29 1.158 7.609 1.748 229 HB VAL 29 HB VAL 29 1.905 4.715 2.103 230 1HG1 VAL 29 1HG1 VAL 29 1.035 4.466 -0.001 231 2HG1 VAL 29 2HG1 VAL 29 1.621 6.040 -0.540 232 3HG1 VAL 29 3HG1 VAL 29 0.153 5.930 0.431 233 1HG2 VAL 29 1HG2 VAL 29 3.596 5.608 0.144 234 2HG2 VAL 29 2HG2 VAL 29 4.076 5.351 1.821 235 3HG2 VAL 29 3HG2 VAL 29 3.629 6.965 1.268 236 H GLU 30 HN GLU 30 -1.030 7.369 2.036 237 HA GLU 30 HA GLU 30 -1.900 5.758 4.379 238 1HB GLU 30 HB2 GLU 30 -2.293 8.355 4.234 239 2HB GLU 30 HB1 GLU 30 -3.613 7.896 3.158 240 1HG GLU 30 HG2 GLU 30 -4.765 6.752 4.834 241 2HG GLU 30 HG1 GLU 30 -3.310 6.499 5.799 242 H PHE 31 HN PHE 31 -3.582 4.286 4.089 243 HA PHE 31 HA PHE 31 -4.802 4.098 1.378 244 1HB PHE 31 HB2 PHE 31 -4.218 1.474 2.554 245 2HB PHE 31 HB1 PHE 31 -3.932 2.050 0.914 246 HD1 PHE 31 HD1 PHE 31 -2.609 2.439 4.403 247 HD2 PHE 31 HD2 PHE 31 -1.724 2.418 0.199 248 HE1 PHE 31 HE1 PHE 31 -0.194 2.664 4.908 249 HE2 PHE 31 HE2 PHE 31 0.691 2.644 0.707 250 HZ PHE 31 HZ PHE 31 1.456 2.769 3.064 251 H LEU 32 HN LEU 32 -6.823 4.744 2.221 252 HA LEU 32 HA LEU 32 -7.884 3.216 4.515 253 1HB LEU 32 HB2 LEU 32 -9.701 4.908 4.510 254 2HB LEU 32 HB1 LEU 32 -8.106 5.649 4.640 255 HG LEU 32 HG LEU 32 -8.590 5.409 1.880 256 1HD1 LEU 32 HD11 LEU 32 -10.822 7.059 2.404 257 2HD1 LEU 32 HD12 LEU 32 -11.071 5.592 3.351 258 3HD1 LEU 32 HD13 LEU 32 -10.824 5.485 1.608 259 1HD2 LEU 32 HD21 LEU 32 -8.424 7.576 3.926 260 2HD2 LEU 32 HD22 LEU 32 -9.047 8.015 2.336 261 3HD2 LEU 32 HD23 LEU 32 -7.437 7.311 2.487 262 H ASN 33 HN ASN 33 -10.103 2.389 4.393 263 HA ASN 33 HA ASN 33 -10.532 0.931 1.902 264 1HB ASN 33 HB2 ASN 33 -11.945 -0.406 3.146 265 2HB ASN 33 HB1 ASN 33 -11.000 0.283 4.460 266 1HD2 ASN 33 HD21 ASN 33 -13.758 -0.674 4.606 267 2HD2 ASN 33 HD22 ASN 33 -14.685 0.646 5.095 268 H ASN 34 HN ASN 34 -13.184 0.869 1.434 269 HA ASN 34 HA ASN 34 -14.071 3.706 1.215 270 1HB ASN 34 HB2 ASN 34 -13.104 3.170 -0.952 271 2HB ASN 34 HB1 ASN 34 -14.021 1.665 -1.030 272 1HD2 ASN 34 HD21 ASN 34 -15.245 2.299 -2.931 273 2HD2 ASN 34 HD22 ASN 34 -16.414 3.528 -2.876 274 H LYS 35 HN LYS 35 -15.670 1.039 -0.401 275 HA LYS 35 HA LYS 35 -17.643 0.868 1.823 276 1HB LYS 35 HB2 LYS 35 -19.481 0.961 0.094 277 2HB LYS 35 HB1 LYS 35 -18.620 2.485 0.312 278 1HG LYS 35 HG2 LYS 35 -17.077 1.543 -1.607 279 2HG LYS 35 HG1 LYS 35 -18.486 0.546 -1.973 280 1HD LYS 35 HD2 LYS 35 -18.878 3.484 -1.534 281 2HD LYS 35 HD1 LYS 35 -18.221 2.936 -3.076 282 1HE LYS 35 HE2 LYS 35 -20.374 1.203 -2.489 283 2HE LYS 35 HE1 LYS 35 -20.949 2.833 -2.137 284 1HZ LYS 35 HZ1 LYS 35 -20.444 3.545 -4.297 285 2HZ LYS 35 HZ2 LYS 35 -21.198 2.036 -4.502 286 3HZ LYS 35 HZ3 LYS 35 -19.510 2.171 -4.637 287 H VAL 36 HN VAL 36 -15.590 -0.971 0.975 288 HA VAL 36 HA VAL 36 -17.277 -3.338 0.572 289 HB VAL 36 HB VAL 36 -15.032 -3.393 -1.328 290 1HG1 VAL 36 1HG1 VAL 36 -16.414 -4.872 -2.339 291 2HG1 VAL 36 2HG1 VAL 36 -17.772 -3.746 -2.310 292 3HG1 VAL 36 3HG1 VAL 36 -17.414 -4.733 -0.893 293 1HG2 VAL 36 1HG2 VAL 36 -16.175 -1.968 -3.020 294 2HG2 VAL 36 2HG2 VAL 36 -15.649 -1.028 -1.624 295 3HG2 VAL 36 3HG2 VAL 36 -17.346 -1.478 -1.796 296 HA PRO 37 HA PRO 37 -13.337 -3.770 3.036 297 1HB PRO 37 HB2 PRO 37 -14.529 -3.999 5.499 298 2HB PRO 37 HB1 PRO 37 -13.999 -2.459 4.808 299 1HG PRO 37 HG2 PRO 37 -16.763 -3.524 5.110 300 2HG PRO 37 HG1 PRO 37 -16.215 -1.843 5.010 301 1HD PRO 37 HD2 PRO 37 -17.393 -3.342 2.909 302 2HD PRO 37 HD1 PRO 37 -16.574 -1.773 2.753 303 HA PRO 38 HA PRO 38 -12.709 -4.463 5.171 304 1HB PRO 38 HB2 PRO 38 -10.924 -6.378 6.007 305 2HB PRO 38 HB1 PRO 38 -12.439 -6.032 6.857 306 1HG PRO 38 HG2 PRO 38 -11.739 -8.373 5.165 307 2HG PRO 38 HG1 PRO 38 -12.955 -8.238 6.445 308 1HD PRO 38 HD2 PRO 38 -13.426 -8.152 3.629 309 2HD PRO 38 HD1 PRO 38 -14.605 -7.831 4.918 310 H HIS 39 HN HIS 39 -9.916 -5.108 5.151 311 HA HIS 39 HA HIS 39 -9.096 -5.760 2.437 312 1HB HIS 39 HB2 HIS 39 -9.064 -2.896 3.395 313 2HB HIS 39 HB1 HIS 39 -7.976 -3.470 2.128 314 HD2 HIS 39 HD2 HIS 39 -11.680 -2.436 2.549 315 HE1 HIS 39 HE1 HIS 39 -11.325 -4.103 -1.310 316 HE2 HIS 39 HE2 HIS 39 -12.871 -2.901 0.289 317 H ASN 40 HN ASN 40 -6.902 -6.278 2.366 318 HA ASN 40 HA ASN 40 -5.422 -5.930 4.945 319 1HB ASN 40 HB2 ASN 40 -5.373 -8.182 2.920 320 2HB ASN 40 HB1 ASN 40 -4.148 -7.999 4.176 321 1HD2 ASN 40 HD21 ASN 40 -5.352 -7.492 6.476 322 2HD2 ASN 40 HD22 ASN 40 -6.601 -8.583 6.838 323 H VAL 41 HN VAL 41 -3.671 -4.631 4.772 324 HA VAL 41 HA VAL 41 -2.516 -4.186 2.050 325 HB VAL 41 HB VAL 41 -2.539 -2.443 4.530 326 1HG1 VAL 41 1HG1 VAL 41 -0.648 -2.555 2.363 327 2HG1 VAL 41 2HG1 VAL 41 -0.676 -1.459 3.744 328 3HG1 VAL 41 3HG1 VAL 41 -1.552 -1.044 2.271 329 1HG2 VAL 41 1HG2 VAL 41 -3.450 -1.181 2.124 330 2HG2 VAL 41 2HG2 VAL 41 -4.368 -1.530 3.589 331 3HG2 VAL 41 3HG2 VAL 41 -4.288 -2.723 2.294 332 H VAL 42 HN VAL 42 -0.452 -4.903 1.719 333 HA VAL 42 HA VAL 42 1.418 -5.078 3.991 334 HB VAL 42 HB VAL 42 1.191 -7.563 2.344 335 1HG1 VAL 42 1HG1 VAL 42 2.693 -6.715 4.529 336 2HG1 VAL 42 2HG1 VAL 42 2.522 -8.381 3.980 337 3HG1 VAL 42 3HG1 VAL 42 1.467 -7.758 5.248 338 1HG2 VAL 42 1HG2 VAL 42 -0.646 -6.874 4.662 339 2HG2 VAL 42 2HG2 VAL 42 -0.506 -8.466 3.916 340 3HG2 VAL 42 3HG2 VAL 42 -1.143 -7.109 2.987 341 H PHE 43 HN PHE 43 3.591 -6.094 3.024 342 HA PHE 43 HA PHE 43 3.950 -5.017 0.261 343 1HB PHE 43 HB2 PHE 43 5.982 -4.726 2.491 344 2HB PHE 43 HB1 PHE 43 6.004 -3.953 0.902 345 HD1 PHE 43 HD1 PHE 43 4.094 -4.172 4.087 346 HD2 PHE 43 HD2 PHE 43 4.896 -1.888 0.545 347 HE1 PHE 43 HE1 PHE 43 2.786 -2.284 5.012 348 HE2 PHE 43 HE2 PHE 43 3.587 0.004 1.472 349 HZ PHE 43 HZ PHE 43 2.544 -0.195 3.711 350 H ASP 44 HN ASP 44 4.711 -6.600 -1.044 351 HA ASP 44 HA ASP 44 5.410 -9.194 -0.256 352 1HB ASP 44 HB2 ASP 44 5.095 -8.045 -2.650 353 2HB ASP 44 HB1 ASP 44 6.859 -8.035 -2.595 354 H ALA 45 HN ALA 45 7.822 -10.027 -0.931 355 HA ALA 45 HA ALA 45 9.807 -8.256 0.372 356 1HB ALA 45 HB1 ALA 45 8.713 -10.708 1.454 357 2HB ALA 45 HB2 ALA 45 9.832 -9.570 2.204 358 3HB ALA 45 HB3 ALA 45 10.449 -10.872 1.187 359 H ALA 46 HN ALA 46 9.080 -9.569 -2.389 360 HA ALA 46 HA ALA 46 11.909 -10.218 -3.034 361 1HB ALA 46 HB1 ALA 46 11.483 -12.320 -3.794 362 2HB ALA 46 HB2 ALA 46 9.915 -11.862 -4.460 363 3HB ALA 46 HB3 ALA 46 10.071 -12.224 -2.742 364 H LEU 47 HN LEU 47 9.664 -8.075 -3.547 365 HA LEU 47 HA LEU 47 10.034 -8.021 -6.515 366 1HB LEU 47 HB2 LEU 47 7.695 -7.494 -4.797 367 2HB LEU 47 HB1 LEU 47 7.973 -6.275 -6.041 368 HG LEU 47 HG LEU 47 8.228 -8.236 -7.679 369 1HD1 LEU 47 HD11 LEU 47 8.512 -10.029 -6.057 370 2HD1 LEU 47 HD12 LEU 47 7.017 -10.305 -6.951 371 3HD1 LEU 47 HD13 LEU 47 6.957 -9.649 -5.315 372 1HD2 LEU 47 HD21 LEU 47 6.256 -7.047 -7.994 373 2HD2 LEU 47 HD22 LEU 47 5.705 -7.324 -6.341 374 3HD2 LEU 47 HD23 LEU 47 5.604 -8.620 -7.533 375 H ASN 48 HN ASN 48 11.938 -7.007 -4.591 376 HA ASN 48 HA ASN 48 11.810 -4.115 -5.323 377 1HB ASN 48 HB2 ASN 48 13.046 -3.702 -3.124 378 2HB ASN 48 HB1 ASN 48 11.343 -4.134 -2.977 379 1HD2 ASN 48 HD21 ASN 48 11.045 -6.706 -2.844 380 2HD2 ASN 48 HD22 ASN 48 12.125 -7.496 -1.801 381 HA PRO 49 HA PRO 49 15.851 -4.784 -6.876 382 1HB PRO 49 HB2 PRO 49 16.841 -2.228 -6.671 383 2HB PRO 49 HB1 PRO 49 15.663 -2.730 -7.895 384 1HG PRO 49 HG2 PRO 49 15.241 -1.096 -5.446 385 2HG PRO 49 HG1 PRO 49 14.319 -1.107 -6.955 386 1HD PRO 49 HD2 PRO 49 13.552 -2.360 -4.533 387 2HD PRO 49 HD1 PRO 49 12.817 -2.627 -6.129 388 H ALA 50 HN ALA 50 15.336 -4.295 -3.626 389 HA ALA 50 HA ALA 50 18.222 -4.731 -3.064 390 1HB ALA 50 HB1 ALA 50 16.711 -2.997 -1.163 391 2HB ALA 50 HB2 ALA 50 17.258 -2.268 -2.673 392 3HB ALA 50 HB3 ALA 50 18.428 -2.987 -1.566 393 H LYS 51 HN LYS 51 15.833 -6.453 -3.104 394 HA LYS 51 HA LYS 51 14.559 -7.868 -1.656 395 1HB LYS 51 HB2 LYS 51 16.217 -9.325 -0.368 396 2HB LYS 51 HB1 LYS 51 16.468 -9.216 -2.109 397 1HG LYS 51 HG2 LYS 51 18.120 -7.358 -1.670 398 2HG LYS 51 HG1 LYS 51 17.970 -7.715 0.052 399 1HD LYS 51 HD2 LYS 51 18.795 -9.728 -2.062 400 2HD LYS 51 HD1 LYS 51 19.913 -8.879 -0.994 401 1HE LYS 51 HE2 LYS 51 19.424 -10.223 0.763 402 2HE LYS 51 HE1 LYS 51 17.692 -10.156 0.439 403 1HZ LYS 51 HZ1 LYS 51 17.803 -12.145 -0.492 404 2HZ LYS 51 HZ2 LYS 51 19.458 -12.238 -0.116 405 3HZ LYS 51 HZ3 LYS 51 18.957 -11.603 -1.610 406 H SER 52 HN SER 52 13.321 -6.634 -0.207 407 HA SER 52 HA SER 52 14.674 -5.691 2.267 408 1HB SER 52 HB2 SER 52 11.779 -5.217 1.592 409 2HB SER 52 HB1 SER 52 12.853 -4.241 2.592 410 HG SER 52 HG SER 52 12.834 -4.554 -0.224 411 H ALA 53 HN ALA 53 12.920 -5.854 4.212 412 HA ALA 53 HA ALA 53 11.178 -8.031 4.468 413 1HB ALA 53 HB1 ALA 53 13.253 -9.295 5.880 414 2HB ALA 53 HB2 ALA 53 13.964 -8.845 4.329 415 3HB ALA 53 HB3 ALA 53 12.514 -9.849 4.377 416 H ASP 54 HN ASP 54 13.743 -6.141 5.979 417 HA ASP 54 HA ASP 54 12.516 -6.427 8.634 418 1HB ASP 54 HB2 ASP 54 14.392 -4.994 9.387 419 2HB ASP 54 HB1 ASP 54 14.971 -6.381 8.463 420 H LEU 55 HN LEU 55 12.343 -4.320 5.923 421 HA LEU 55 HA LEU 55 11.113 -2.190 7.611 422 1HB LEU 55 HB2 LEU 55 11.741 -0.625 6.018 423 2HB LEU 55 HB1 LEU 55 13.039 -1.800 5.826 424 HG LEU 55 HG LEU 55 11.293 -2.868 4.094 425 1HD1 LEU 55 HD11 LEU 55 9.731 -1.438 3.239 426 2HD1 LEU 55 HD12 LEU 55 10.765 -0.025 3.442 427 3HD1 LEU 55 HD13 LEU 55 9.871 -0.669 4.819 428 1HD2 LEU 55 HD21 LEU 55 12.566 -0.561 2.838 429 2HD2 LEU 55 HD22 LEU 55 12.913 -2.277 2.629 430 3HD2 LEU 55 HD23 LEU 55 13.655 -1.382 3.955 431 H ALA 56 HN ALA 56 10.486 -4.498 5.057 432 HA ALA 56 HA ALA 56 7.826 -3.363 4.497 433 1HB ALA 56 HB1 ALA 56 9.630 -4.970 3.070 434 2HB ALA 56 HB2 ALA 56 7.997 -4.523 2.572 435 3HB ALA 56 HB3 ALA 56 8.272 -6.033 3.442 436 H LYS 57 HN LYS 57 9.140 -5.373 6.853 437 HA LYS 57 HA LYS 57 6.862 -7.191 7.104 438 1HB LYS 57 HB2 LYS 57 9.068 -7.922 7.878 439 2HB LYS 57 HB1 LYS 57 9.141 -6.569 9.008 440 1HG LYS 57 HG2 LYS 57 7.300 -7.430 10.289 441 2HG LYS 57 HG1 LYS 57 6.944 -8.651 9.067 442 1HD LYS 57 HD2 LYS 57 9.573 -9.193 9.621 443 2HD LYS 57 HD1 LYS 57 8.984 -8.664 11.198 444 1HE LYS 57 HE2 LYS 57 8.105 -10.721 11.466 445 2HE LYS 57 HE1 LYS 57 6.955 -10.320 10.190 446 1HZ LYS 57 HZ1 LYS 57 9.321 -11.988 10.093 447 2HZ LYS 57 HZ2 LYS 57 9.120 -10.951 8.763 448 3HZ LYS 57 HZ3 LYS 57 7.900 -12.062 9.169 449 H SER 58 HN SER 58 8.098 -4.404 8.971 450 HA SER 58 HA SER 58 5.656 -4.330 10.592 451 1HB SER 58 HB2 SER 58 8.109 -3.600 11.239 452 2HB SER 58 HB1 SER 58 7.637 -2.077 10.490 453 HG SER 58 HG SER 58 7.191 -2.514 12.865 454 H LEU 59 HN LEU 59 6.811 -2.902 7.647 455 HA LEU 59 HA LEU 59 5.363 -0.494 7.550 456 1HB LEU 59 HB2 LEU 59 6.916 -1.782 5.769 457 2HB LEU 59 HB1 LEU 59 5.343 -2.187 5.097 458 HG LEU 59 HG LEU 59 4.749 0.196 5.006 459 1HD1 LEU 59 HD11 LEU 59 5.952 1.105 6.878 460 2HD1 LEU 59 HD12 LEU 59 6.655 1.844 5.441 461 3HD1 LEU 59 HD13 LEU 59 7.492 0.521 6.250 462 1HD2 LEU 59 HD21 LEU 59 7.087 0.752 3.613 463 2HD2 LEU 59 HD22 LEU 59 5.676 -0.072 2.954 464 3HD2 LEU 59 HD23 LEU 59 7.021 -1.010 3.602 465 H SER 60 HN SER 60 4.256 -3.815 7.182 466 HA SER 60 HA SER 60 1.582 -3.056 6.283 467 1HB SER 60 HB2 SER 60 1.721 -5.680 7.504 468 2HB SER 60 HB1 SER 60 1.426 -5.258 5.822 469 HG SER 60 HG SER 60 3.561 -5.328 5.422 470 H HIS 61 HN HIS 61 -0.086 -2.440 7.596 471 HA HIS 61 HA HIS 61 0.318 -2.257 10.467 472 1HB HIS 61 HB2 HIS 61 -1.948 -1.334 10.530 473 2HB HIS 61 HB1 HIS 61 -1.049 -0.605 9.203 474 HD1 HIS 61 HD1 HIS 61 -3.257 -3.711 9.607 475 HD2 HIS 61 HD2 HIS 61 -2.608 -0.572 6.932 476 HE1 HIS 61 HE1 HIS 61 -4.869 -4.056 7.682 477 H LYS 62 HN LYS 62 -1.213 -4.524 8.297 478 HA LYS 62 HA LYS 62 -2.227 -6.600 8.683 479 1HB LYS 62 HB2 LYS 62 -0.992 -6.621 11.419 480 2HB LYS 62 HB1 LYS 62 -1.235 -7.960 10.300 481 1HG LYS 62 HG2 LYS 62 0.773 -7.620 9.324 482 2HG LYS 62 HG1 LYS 62 0.466 -5.895 9.137 483 1HD LYS 62 HD2 LYS 62 2.240 -5.826 10.627 484 2HD LYS 62 HD1 LYS 62 0.889 -5.882 11.760 485 1HE LYS 62 HE2 LYS 62 1.277 -8.088 12.333 486 2HE LYS 62 HE1 LYS 62 2.003 -8.475 10.773 487 1HZ LYS 62 HZ1 LYS 62 3.553 -8.323 12.746 488 2HZ LYS 62 HZ2 LYS 62 3.303 -6.643 12.698 489 3HZ LYS 62 HZ3 LYS 62 3.997 -7.440 11.368 490 H GLN 63 HN GLN 63 -4.355 -6.752 9.087 491 HA GLN 63 HA GLN 63 -5.657 -6.912 11.497 492 1HB GLN 63 HB2 GLN 63 -4.834 -4.166 10.983 493 2HB GLN 63 HB1 GLN 63 -6.583 -4.294 11.174 494 1HG GLN 63 HG2 GLN 63 -6.421 -5.117 13.351 495 2HG GLN 63 HG1 GLN 63 -4.782 -5.723 13.107 496 1HE2 GLN 63 1HE2 GLN 63 -3.234 -4.472 14.144 497 2HE2 GLN 63 2HE2 GLN 63 -3.358 -2.806 14.440 498 H LEU 64 HN LEU 64 -8.091 -6.357 11.298 499 HA LEU 64 HA LEU 64 -8.893 -6.808 8.461 500 1HB LEU 64 HB2 LEU 64 -10.222 -7.408 11.108 501 2HB LEU 64 HB1 LEU 64 -11.121 -7.443 9.591 502 HG LEU 64 HG LEU 64 -8.860 -8.901 8.974 503 1HD1 LEU 64 HD11 LEU 64 -9.768 -9.796 11.719 504 2HD1 LEU 64 HD12 LEU 64 -8.329 -8.808 11.468 505 3HD1 LEU 64 HD13 LEU 64 -8.421 -10.424 10.769 506 1HD2 LEU 64 HD21 LEU 64 -11.640 -9.640 9.878 507 2HD2 LEU 64 HD22 LEU 64 -10.481 -10.891 9.430 508 3HD2 LEU 64 HD23 LEU 64 -10.966 -9.674 8.249 509 H LEU 65 HN LEU 65 -9.797 -5.110 7.396 510 HA LEU 65 HA LEU 65 -10.513 -2.684 8.896 511 1HB LEU 65 HB2 LEU 65 -10.139 -3.420 6.026 512 2HB LEU 65 HB1 LEU 65 -11.181 -2.043 6.386 513 HG LEU 65 HG LEU 65 -9.397 -0.978 7.663 514 1HD1 LEU 65 HD11 LEU 65 -7.930 -3.554 7.073 515 2HD1 LEU 65 HD12 LEU 65 -8.257 -2.827 8.647 516 3HD1 LEU 65 HD13 LEU 65 -7.091 -2.080 7.555 517 1HD2 LEU 65 HD21 LEU 65 -9.226 -1.643 4.850 518 2HD2 LEU 65 HD22 LEU 65 -7.610 -1.434 5.526 519 3HD2 LEU 65 HD23 LEU 65 -8.795 -0.134 5.658 520 H MET 66 HN MET 66 -12.365 -3.630 10.061 521 HA MET 66 HA MET 66 -14.712 -4.337 8.393 522 1HB MET 66 HB2 MET 66 -13.969 -4.644 11.274 523 2HB MET 66 HB1 MET 66 -15.683 -4.567 10.861 524 1HG MET 66 HG2 MET 66 -15.175 -6.349 9.086 525 2HG MET 66 HG1 MET 66 -13.626 -6.562 9.901 526 1HE MET 66 HE1 MET 66 -17.136 -5.608 11.397 527 2HE MET 66 HE2 MET 66 -17.801 -7.206 11.718 528 3HE MET 66 HE3 MET 66 -17.440 -6.728 10.061 529 H SER 67 HN SER 67 -13.374 -1.525 9.403 530 HA SER 67 HA SER 67 -16.039 -0.245 9.874 531 1HB SER 67 HB2 SER 67 -14.001 -0.149 11.605 532 2HB SER 67 HB1 SER 67 -13.488 1.163 10.549 533 HG SER 67 HG SER 67 -15.040 1.545 12.429 534 HA PRO 68 HA PRO 68 -15.390 1.944 6.122 535 1HB PRO 68 HB2 PRO 68 -16.973 4.134 6.627 536 2HB PRO 68 HB1 PRO 68 -17.613 2.534 6.211 537 1HG PRO 68 HG2 PRO 68 -17.548 3.898 8.864 538 2HG PRO 68 HG1 PRO 68 -18.677 2.675 8.258 539 1HD PRO 68 HD2 PRO 68 -16.534 2.200 10.032 540 2HD PRO 68 HD1 PRO 68 -17.435 0.958 9.138 541 H GLY 69 HN GLY 69 -13.230 2.670 6.074 542 1HA GLY 69 HA2 GLY 69 -11.959 4.788 5.860 543 2HA GLY 69 HA1 GLY 69 -12.764 5.349 7.327 544 H GLN 70 HN GLN 70 -12.431 2.617 8.561 545 HA GLN 70 HA GLN 70 -10.153 3.046 10.119 546 1HB GLN 70 HB2 GLN 70 -11.924 0.801 9.562 547 2HB GLN 70 HB1 GLN 70 -10.269 0.260 9.845 548 1HG GLN 70 HG2 GLN 70 -11.234 2.348 11.703 549 2HG GLN 70 HG1 GLN 70 -12.053 0.792 11.841 550 1HE2 GLN 70 1HE2 GLN 70 -8.660 1.987 11.444 551 2HE2 GLN 70 2HE2 GLN 70 -7.993 0.881 12.545 552 H SER 71 HN SER 71 -8.153 3.476 9.262 553 HA SER 71 HA SER 71 -7.034 1.450 7.388 554 1HB SER 71 HB2 SER 71 -6.399 2.997 5.785 555 2HB SER 71 HB1 SER 71 -7.929 3.691 6.311 556 HG SER 71 HG SER 71 -6.411 5.307 6.375 557 H THR 72 HN THR 72 -4.606 2.839 6.969 558 HA THR 72 HA THR 72 -3.466 3.550 9.573 559 HB THR 72 HB THR 72 -2.822 0.941 8.184 560 HG1 THR 72 HG1 THR 72 -4.373 0.996 9.874 561 1HG2 THR 72 1HG2 THR 72 -1.070 1.222 10.338 562 2HG2 THR 72 2HG2 THR 72 -1.002 2.782 9.517 563 3HG2 THR 72 3HG2 THR 72 -0.642 1.302 8.628 564 H SER 73 HN SER 73 -2.336 5.337 8.931 565 HA SER 73 HA SER 73 -1.269 5.551 6.218 566 1HB SER 73 HB2 SER 73 -0.327 7.742 7.144 567 2HB SER 73 HB1 SER 73 -2.081 7.586 7.166 568 HG SER 73 HG SER 73 -0.936 8.310 9.166 569 H THR 74 HN THR 74 0.122 3.600 6.471 570 HA THR 74 HA THR 74 2.243 3.295 8.266 571 HB THR 74 HB THR 74 2.184 2.631 5.305 572 HG1 THR 74 HG1 THR 74 1.690 1.060 7.615 573 1HG2 THR 74 1HG2 THR 74 3.818 0.801 6.505 574 2HG2 THR 74 2HG2 THR 74 4.207 2.257 7.421 575 3HG2 THR 74 3HG2 THR 74 4.393 2.242 5.667 576 H THR 75 HN THR 75 3.685 4.862 8.793 577 HA THR 75 HA THR 75 4.518 6.888 6.855 578 HB THR 75 HB THR 75 5.487 6.303 9.671 579 HG1 THR 75 HG1 THR 75 4.212 8.315 9.964 580 1HG2 THR 75 1HG2 THR 75 5.834 8.852 8.091 581 2HG2 THR 75 2HG2 THR 75 7.046 7.571 8.074 582 3HG2 THR 75 3HG2 THR 75 6.638 8.379 9.588 583 H PHE 76 HN PHE 76 5.628 5.717 5.237 584 HA PHE 76 HA PHE 76 7.472 3.668 5.471 585 1HB PHE 76 HB2 PHE 76 7.275 6.018 3.615 586 2HB PHE 76 HB1 PHE 76 8.676 4.955 3.506 587 HD1 PHE 76 HD1 PHE 76 8.520 3.112 2.090 588 HD2 PHE 76 HD2 PHE 76 4.939 4.694 3.861 589 HE1 PHE 76 HE1 PHE 76 7.166 1.447 0.846 590 HE2 PHE 76 HE2 PHE 76 3.590 3.030 2.617 591 HZ PHE 76 HZ PHE 76 4.702 1.413 1.111 592 HA PRO 77 HA PRO 77 10.980 5.195 7.587 593 1HB PRO 77 HB2 PRO 77 13.029 3.985 6.206 594 2HB PRO 77 HB1 PRO 77 11.959 3.139 7.334 595 1HG PRO 77 HG2 PRO 77 11.982 3.066 4.350 596 2HG PRO 77 HG1 PRO 77 11.425 1.836 5.497 597 1HD PRO 77 HD2 PRO 77 9.767 3.586 4.033 598 2HD PRO 77 HD1 PRO 77 9.269 2.618 5.436 599 H ALA 78 HN ALA 78 12.773 6.663 7.484 600 HA ALA 78 HA ALA 78 12.554 8.701 5.459 601 1HB ALA 78 HB1 ALA 78 14.553 9.679 6.581 602 2HB ALA 78 HB2 ALA 78 14.697 8.211 7.548 603 3HB ALA 78 HB3 ALA 78 13.283 9.249 7.727 604 H ASP 79 HN ASP 79 14.033 5.694 5.370 605 HA ASP 79 HA ASP 79 16.159 6.601 3.495 606 1HB ASP 79 HB2 ASP 79 16.621 3.983 3.603 607 2HB ASP 79 HB1 ASP 79 17.187 5.055 4.882 608 H ALA 80 HN ALA 80 13.905 3.823 3.592 609 HA ALA 80 HA ALA 80 12.886 2.702 1.780 610 1HB ALA 80 HB1 ALA 80 12.166 5.582 1.678 611 2HB ALA 80 HB2 ALA 80 11.125 4.167 1.822 612 3HB ALA 80 HB3 ALA 80 11.775 4.627 0.248 613 HA PRO 81 HA PRO 81 16.355 3.740 -1.138 614 1HB PRO 81 HB2 PRO 81 17.677 1.343 -0.855 615 2HB PRO 81 HB1 PRO 81 18.021 2.775 0.132 616 1HG PRO 81 HG2 PRO 81 16.554 0.287 0.882 617 2HG PRO 81 HG1 PRO 81 17.456 1.412 1.911 618 1HD PRO 81 HD2 PRO 81 14.644 1.305 1.660 619 2HD PRO 81 HD1 PRO 81 15.573 2.632 2.390 620 H ALA 82 HN ALA 82 17.204 1.516 -2.690 621 HA ALA 82 HA ALA 82 16.464 0.059 -4.386 622 1HB ALA 82 HB1 ALA 82 13.742 -0.380 -3.792 623 2HB ALA 82 HB2 ALA 82 14.554 -0.266 -2.230 624 3HB ALA 82 HB3 ALA 82 15.093 -1.451 -3.420 625 H GLY 83 HN GLY 83 13.269 1.424 -3.749 626 1HA GLY 83 HA2 GLY 83 12.534 3.520 -4.899 627 2HA GLY 83 HA1 GLY 83 13.544 3.025 -6.259 628 H GLU 84 HN GLU 84 11.814 0.514 -4.628 629 HA GLU 84 HA GLU 84 9.449 0.690 -6.339 630 1HB GLU 84 HB2 GLU 84 11.774 -0.992 -7.066 631 2HB GLU 84 HB1 GLU 84 10.207 -1.800 -7.132 632 1HG GLU 84 HG2 GLU 84 9.396 0.277 -8.430 633 2HG GLU 84 HG1 GLU 84 11.105 0.661 -8.631 634 H TYR 85 HN TYR 85 8.200 0.420 -4.477 635 HA TYR 85 HA TYR 85 8.559 -2.164 -3.008 636 1HB TYR 85 HB2 TYR 85 7.162 0.380 -2.112 637 2HB TYR 85 HB1 TYR 85 7.314 -1.096 -1.158 638 HD1 TYR 85 HD1 TYR 85 9.058 -1.201 0.376 639 HD2 TYR 85 HD2 TYR 85 9.498 1.232 -3.136 640 HE1 TYR 85 HE1 TYR 85 11.288 -0.459 1.168 641 HE2 TYR 85 HE2 TYR 85 11.727 1.973 -2.344 642 HH TYR 85 HH TYR 85 13.391 1.506 -0.865 643 H THR 86 HN THR 86 6.970 -3.660 -3.411 644 HA THR 86 HA THR 86 4.464 -2.632 -4.674 645 HB THR 86 HB THR 86 5.870 -5.298 -4.927 646 HG1 THR 86 HG1 THR 86 5.813 -4.587 -7.159 647 1HG2 THR 86 1HG2 THR 86 3.235 -4.419 -6.138 648 2HG2 THR 86 2HG2 THR 86 3.397 -5.561 -4.805 649 3HG2 THR 86 3HG2 THR 86 4.039 -5.967 -6.396 650 H PHE 87 HN PHE 87 2.734 -2.687 -3.357 651 HA PHE 87 HA PHE 87 2.656 -4.710 -1.196 652 1HB PHE 87 HB2 PHE 87 0.589 -3.153 -0.545 653 2HB PHE 87 HB1 PHE 87 2.238 -2.743 -0.072 654 HD1 PHE 87 HD1 PHE 87 -0.560 -1.934 -2.287 655 HD2 PHE 87 HD2 PHE 87 3.521 -1.053 -1.298 656 HE1 PHE 87 HE1 PHE 87 -0.687 0.142 -3.622 657 HE2 PHE 87 HE2 PHE 87 3.401 1.025 -2.629 658 HZ PHE 87 HZ PHE 87 1.292 1.634 -3.796 659 H TYR 88 HN TYR 88 0.177 -5.393 -0.775 660 HA TYR 88 HA TYR 88 -1.416 -5.493 -3.219 661 1HB TYR 88 HB2 TYR 88 -1.343 -7.939 -3.455 662 2HB TYR 88 HB1 TYR 88 0.272 -7.252 -3.640 663 HD1 TYR 88 HD1 TYR 88 -2.005 -8.986 -1.273 664 HD2 TYR 88 HD2 TYR 88 2.024 -7.740 -2.086 665 HE1 TYR 88 HE1 TYR 88 -1.197 -10.371 0.618 666 HE2 TYR 88 HE2 TYR 88 2.834 -9.126 -0.195 667 HH TYR 88 HH TYR 88 1.286 -10.073 2.183 668 H CYS 89 HN CYS 89 -3.228 -7.321 -2.773 669 HA CYS 89 HA CYS 89 -4.131 -6.934 0.052 670 1HB CYS 89 HB2 CYS 89 -5.362 -5.965 -2.247 671 2HB CYS 89 HB1 CYS 89 -6.257 -7.443 -1.892 672 H GLU 90 HN GLU 90 -4.795 -8.788 1.101 673 HA GLU 90 HA GLU 90 -4.179 -11.338 -0.156 674 1HB GLU 90 HB2 GLU 90 -4.045 -10.542 2.387 675 2HB GLU 90 HB1 GLU 90 -5.675 -11.212 2.424 676 1HG GLU 90 HG2 GLU 90 -4.773 -13.262 2.620 677 2HG GLU 90 HG1 GLU 90 -4.110 -13.076 0.996 678 HA PRO 91 HA PRO 91 -8.911 -11.940 0.200 679 1HB PRO 91 HB2 PRO 91 -10.432 -9.703 0.703 680 2HB PRO 91 HB1 PRO 91 -9.804 -10.779 1.962 681 1HG PRO 91 HG2 PRO 91 -8.879 -8.055 1.196 682 2HG PRO 91 HG1 PRO 91 -8.721 -8.899 2.744 683 1HD PRO 91 HD2 PRO 91 -6.693 -8.576 0.793 684 2HD PRO 91 HD1 PRO 91 -6.630 -9.652 2.205 685 H HIS 92 HN HIS 92 -8.327 -8.610 -1.061 686 HA HIS 92 HA HIS 92 -9.932 -9.363 -3.455 687 1HB HIS 92 HB2 HIS 92 -8.847 -6.603 -2.998 688 2HB HIS 92 HB1 HIS 92 -10.342 -7.095 -3.797 689 HD2 HIS 92 HD2 HIS 92 -12.559 -7.384 -2.063 690 HE1 HIS 92 HE1 HIS 92 -10.471 -6.654 1.524 691 HE2 HIS 92 HE2 HIS 92 -12.758 -7.040 0.508 692 H ARG 93 HN ARG 93 -7.844 -10.760 -3.877 693 HA ARG 93 HA ARG 93 -5.653 -9.172 -5.073 694 1HB ARG 93 HB2 ARG 93 -5.651 -11.574 -3.758 695 2HB ARG 93 HB1 ARG 93 -5.654 -12.105 -5.441 696 1HG ARG 93 HG2 ARG 93 -3.684 -10.779 -5.927 697 2HG ARG 93 HG1 ARG 93 -3.728 -10.049 -4.323 698 1HD ARG 93 HD2 ARG 93 -2.241 -11.699 -3.809 699 2HD ARG 93 HD1 ARG 93 -3.694 -12.687 -3.659 700 HE ARG 93 HE ARG 93 -2.842 -12.715 -6.386 701 1HH1 ARG 93 HH11 ARG 93 -2.337 -14.038 -3.256 702 2HH1 ARG 93 HH12 ARG 93 -1.316 -15.323 -3.811 703 1HH2 ARG 93 HH21 ARG 93 -1.351 -14.280 -7.118 704 2HH2 ARG 93 HH22 ARG 93 -0.757 -15.460 -5.997 705 H GLY 94 HN GLY 94 -8.643 -9.957 -6.071 706 1HA GLY 94 HA2 GLY 94 -7.812 -10.683 -8.841 707 2HA GLY 94 HA1 GLY 94 -9.441 -10.880 -8.192 708 H ALA 95 HN ALA 95 -8.872 -8.062 -6.916 709 HA ALA 95 HA ALA 95 -9.953 -6.587 -9.254 710 1HB ALA 95 HB1 ALA 95 -9.683 -5.571 -6.416 711 2HB ALA 95 HB2 ALA 95 -11.065 -6.526 -6.952 712 3HB ALA 95 HB3 ALA 95 -10.739 -4.957 -7.688 713 H GLY 96 HN GLY 96 -7.152 -7.295 -9.172 714 1HA GLY 96 HA2 GLY 96 -5.028 -6.317 -9.404 715 2HA GLY 96 HA1 GLY 96 -5.929 -4.958 -10.074 716 H MET 97 HN MET 97 -6.437 -5.971 -6.750 717 HA MET 97 HA MET 97 -5.826 -3.325 -5.770 718 1HB MET 97 HB2 MET 97 -6.123 -5.946 -4.265 719 2HB MET 97 HB1 MET 97 -6.086 -4.348 -3.520 720 1HG MET 97 HG2 MET 97 -8.008 -4.047 -5.478 721 2HG MET 97 HG1 MET 97 -8.278 -5.701 -4.930 722 1HE MET 97 HE1 MET 97 -9.228 -1.850 -3.729 723 2HE MET 97 HE2 MET 97 -7.580 -2.248 -4.207 724 3HE MET 97 HE3 MET 97 -7.947 -1.929 -2.513 725 H VAL 98 HN VAL 98 -3.603 -3.658 -7.074 726 HA VAL 98 HA VAL 98 -1.568 -4.254 -4.982 727 HB VAL 98 HB VAL 98 -1.495 -5.236 -7.852 728 1HG1 VAL 98 1HG1 VAL 98 0.679 -4.361 -6.602 729 2HG1 VAL 98 2HG1 VAL 98 0.720 -5.849 -7.548 730 3HG1 VAL 98 3HG1 VAL 98 0.567 -5.924 -5.792 731 1HG2 VAL 98 1HG2 VAL 98 -2.266 -6.416 -5.278 732 2HG2 VAL 98 2HG2 VAL 98 -1.036 -7.354 -6.124 733 3HG2 VAL 98 3HG2 VAL 98 -2.572 -6.998 -6.914 734 H GLY 99 HN GLY 99 -0.652 -2.264 -4.698 735 1HA GLY 99 HA2 GLY 99 -0.196 -0.565 -7.087 736 2HA GLY 99 HA1 GLY 99 -0.234 0.026 -5.429 737 H LYS 100 HN LYS 100 1.926 0.968 -6.328 738 HA LYS 100 HA LYS 100 4.077 -0.751 -5.300 739 1HB LYS 100 HB2 LYS 100 3.944 0.138 -8.188 740 2HB LYS 100 HB1 LYS 100 5.459 -0.316 -7.406 741 1HG LYS 100 HG2 LYS 100 4.217 -2.482 -6.716 742 2HG LYS 100 HG1 LYS 100 3.045 -2.035 -7.955 743 1HD LYS 100 HD2 LYS 100 5.124 -1.759 -9.499 744 2HD LYS 100 HD1 LYS 100 5.957 -2.729 -8.283 745 1HE LYS 100 HE2 LYS 100 4.961 -4.624 -8.991 746 2HE LYS 100 HE1 LYS 100 3.366 -3.871 -8.959 747 1HZ LYS 100 HZ1 LYS 100 4.062 -4.583 -11.196 748 2HZ LYS 100 HZ2 LYS 100 5.363 -3.493 -11.124 749 3HZ LYS 100 HZ3 LYS 100 3.765 -2.915 -11.104 750 H ILE 101 HN ILE 101 5.334 0.570 -4.076 751 HA ILE 101 HA ILE 101 5.180 3.490 -4.526 752 HB ILE 101 HB ILE 101 5.759 1.725 -2.245 753 1HG1 ILE 101 2HG1 ILE 101 4.762 4.537 -2.712 754 2HG1 ILE 101 1HG1 ILE 101 3.869 3.143 -2.111 755 1HG2 ILE 101 1HG2 ILE 101 7.486 4.187 -2.671 756 2HG2 ILE 101 2HG2 ILE 101 8.051 2.524 -2.509 757 3HG2 ILE 101 3HG2 ILE 101 7.315 3.341 -1.132 758 1HD1 ILE 101 HD11 ILE 101 6.001 3.500 -0.297 759 2HD1 ILE 101 HD12 ILE 101 4.299 3.860 -0.016 760 3HD1 ILE 101 HD13 ILE 101 5.376 5.118 -0.617 761 H THR 102 HN THR 102 6.735 4.523 -5.672 762 HA THR 102 HA THR 102 9.294 3.072 -6.186 763 HB THR 102 HB THR 102 7.884 5.301 -7.682 764 HG1 THR 102 HG1 THR 102 8.285 2.575 -7.995 765 1HG2 THR 102 1HG2 THR 102 9.861 4.926 -9.306 766 2HG2 THR 102 2HG2 THR 102 10.685 4.218 -7.917 767 3HG2 THR 102 3HG2 THR 102 10.156 5.900 -7.866 768 H VAL 103 HN VAL 103 10.546 3.701 -4.387 769 HA VAL 103 HA VAL 103 10.684 6.616 -3.804 770 HB VAL 103 HB VAL 103 12.040 4.408 -2.248 771 1HG1 VAL 103 1HG1 VAL 103 10.951 6.644 -0.770 772 2HG1 VAL 103 2HG1 VAL 103 11.992 7.220 -2.072 773 3HG1 VAL 103 3HG1 VAL 103 12.623 6.094 -0.872 774 1HG2 VAL 103 1HG2 VAL 103 9.175 5.073 -2.483 775 2HG2 VAL 103 2HG2 VAL 103 9.776 5.031 -0.825 776 3HG2 VAL 103 3HG2 VAL 103 9.942 3.613 -1.859 777 H ALA 104 HN ALA 104 11.881 6.811 -5.941 778 HA ALA 104 HA ALA 104 14.326 5.687 -6.607 779 1HB ALA 104 HB1 ALA 104 13.583 8.623 -6.811 780 2HB ALA 104 HB2 ALA 104 13.206 7.377 -8.001 781 3HB ALA 104 HB3 ALA 104 14.883 7.836 -7.707 782 H GLY 105 HN GLY 105 15.956 5.293 -5.173 783 1HA GLY 105 HA2 GLY 105 17.723 5.762 -3.697 784 2HA GLY 105 HA1 GLY 105 17.448 7.475 -4.021 Start of MODEL 5 1 1H GLU 1 HT1 GLU 1 4.262 16.445 2.685 2 2H GLU 1 HT2 GLU 1 2.703 16.445 2.009 3 3H GLU 1 HT3 GLU 1 3.925 17.413 1.334 4 HA GLU 1 HA GLU 1 3.713 15.561 -0.089 5 1HB GLU 1 HB2 GLU 1 6.043 15.282 1.829 6 2HB GLU 1 HB1 GLU 1 5.918 14.384 0.315 7 1HG GLU 1 HG2 GLU 1 6.948 16.169 -0.627 8 2HG GLU 1 HG1 GLU 1 5.384 16.973 -0.483 9 H THR 2 HN THR 2 1.674 14.695 1.213 10 HA THR 2 HA THR 2 2.413 11.994 2.270 11 HB THR 2 HB THR 2 0.144 13.822 3.108 12 HG1 THR 2 HG1 THR 2 2.400 13.991 3.952 13 1HG2 THR 2 1HG2 THR 2 -0.357 11.945 4.728 14 2HG2 THR 2 2HG2 THR 2 0.738 10.933 3.787 15 3HG2 THR 2 3HG2 THR 2 -0.725 11.578 3.043 16 H TYR 3 HN TYR 3 1.547 10.327 1.122 17 HA TYR 3 HA TYR 3 -0.569 10.991 -0.877 18 1HB TYR 3 HB2 TYR 3 1.487 8.772 -0.745 19 2HB TYR 3 HB1 TYR 3 0.155 8.771 -1.901 20 HD1 TYR 3 HD1 TYR 3 3.491 9.782 -1.363 21 HD2 TYR 3 HD2 TYR 3 -0.158 11.052 -3.239 22 HE1 TYR 3 HE1 TYR 3 4.780 11.295 -2.844 23 HE2 TYR 3 HE2 TYR 3 1.131 12.566 -4.721 24 HH TYR 3 HH TYR 3 3.610 12.594 -5.611 25 H THR 4 HN THR 4 -2.575 10.104 -0.616 26 HA THR 4 HA THR 4 -2.840 7.837 1.315 27 HB THR 4 HB THR 4 -3.617 9.953 2.342 28 HG1 THR 4 HG1 THR 4 -4.736 8.147 2.950 29 1HG2 THR 4 1HG2 THR 4 -4.303 10.788 -0.075 30 2HG2 THR 4 2HG2 THR 4 -5.164 11.365 1.352 31 3HG2 THR 4 3HG2 THR 4 -5.858 10.080 0.363 32 H VAL 5 HN VAL 5 -3.376 6.127 0.022 33 HA VAL 5 HA VAL 5 -5.102 6.561 -2.336 34 HB VAL 5 HB VAL 5 -4.538 4.254 -2.894 35 1HG1 VAL 5 1HG1 VAL 5 -2.884 5.867 -3.562 36 2HG1 VAL 5 2HG1 VAL 5 -2.015 4.480 -2.906 37 3HG1 VAL 5 3HG1 VAL 5 -2.215 5.936 -1.931 38 1HG2 VAL 5 1HG2 VAL 5 -2.810 3.155 -1.269 39 2HG2 VAL 5 2HG2 VAL 5 -4.524 3.076 -0.862 40 3HG2 VAL 5 3HG2 VAL 5 -3.485 4.263 -0.075 41 H LYS 6 HN LYS 6 -7.011 5.153 -2.638 42 HA LYS 6 HA LYS 6 -8.186 4.233 -0.047 43 1HB LYS 6 HB2 LYS 6 -9.795 5.507 -2.268 44 2HB LYS 6 HB1 LYS 6 -10.299 5.184 -0.608 45 1HG LYS 6 HG2 LYS 6 -8.213 6.745 -0.051 46 2HG LYS 6 HG1 LYS 6 -8.552 7.365 -1.667 47 1HD LYS 6 HD2 LYS 6 -10.712 8.084 -1.077 48 2HD LYS 6 HD1 LYS 6 -10.776 7.029 0.336 49 1HE LYS 6 HE2 LYS 6 -9.191 8.393 1.525 50 2HE LYS 6 HE1 LYS 6 -8.838 9.342 0.081 51 1HZ LYS 6 HZ1 LYS 6 -11.285 9.926 0.107 52 2HZ LYS 6 HZ2 LYS 6 -10.325 10.628 1.321 53 3HZ LYS 6 HZ3 LYS 6 -11.324 9.302 1.684 54 H LEU 7 HN LEU 7 -7.508 2.072 -0.700 55 HA LEU 7 HA LEU 7 -7.969 0.747 -3.080 56 1HB LEU 7 HB2 LEU 7 -8.629 -1.226 -1.396 57 2HB LEU 7 HB1 LEU 7 -6.971 -0.669 -1.564 58 HG LEU 7 HG LEU 7 -8.561 0.884 0.359 59 1HD1 LEU 7 HD11 LEU 7 -9.505 -1.419 0.670 60 2HD1 LEU 7 HD12 LEU 7 -8.623 -0.834 2.080 61 3HD1 LEU 7 HD13 LEU 7 -7.871 -2.000 0.992 62 1HD2 LEU 7 HD21 LEU 7 -5.917 -0.602 0.495 63 2HD2 LEU 7 HD22 LEU 7 -6.509 0.532 1.708 64 3HD2 LEU 7 HD23 LEU 7 -6.120 1.101 0.085 65 H GLY 8 HN GLY 8 -9.840 1.204 -4.223 66 1HA GLY 8 HA2 GLY 8 -12.077 0.333 -4.697 67 2HA GLY 8 HA1 GLY 8 -12.378 0.277 -2.960 68 H SER 9 HN SER 9 -12.977 2.038 -5.736 69 HA SER 9 HA SER 9 -13.005 4.708 -4.571 70 1HB SER 9 HB2 SER 9 -14.549 5.066 -6.683 71 2HB SER 9 HB1 SER 9 -12.821 4.799 -6.891 72 HG SER 9 HG SER 9 -14.177 3.451 -8.222 73 H ASP 10 HN ASP 10 -15.832 3.162 -6.059 74 HA ASP 10 HA ASP 10 -17.428 2.658 -3.836 75 1HB ASP 10 HB2 ASP 10 -17.193 4.880 -3.004 76 2HB ASP 10 HB1 ASP 10 -17.422 5.583 -4.605 77 H LYS 11 HN LYS 11 -17.254 4.035 -7.067 78 HA LYS 11 HA LYS 11 -19.926 2.820 -7.648 79 1HB LYS 11 HB2 LYS 11 -19.191 5.422 -8.044 80 2HB LYS 11 HB1 LYS 11 -18.787 4.715 -9.610 81 1HG LYS 11 HG2 LYS 11 -21.114 3.648 -9.564 82 2HG LYS 11 HG1 LYS 11 -21.468 4.727 -8.215 83 1HD LYS 11 HD2 LYS 11 -20.503 5.631 -10.944 84 2HD LYS 11 HD1 LYS 11 -22.179 5.693 -10.395 85 1HE LYS 11 HE2 LYS 11 -20.088 6.950 -8.668 86 2HE LYS 11 HE1 LYS 11 -20.574 7.800 -10.135 87 1HZ LYS 11 HZ1 LYS 11 -22.776 6.745 -8.611 88 2HZ LYS 11 HZ2 LYS 11 -22.559 8.293 -9.278 89 3HZ LYS 11 HZ3 LYS 11 -21.874 7.909 -7.772 90 H GLY 12 HN GLY 12 -16.566 2.646 -8.258 91 1HA GLY 12 HA2 GLY 12 -16.960 1.191 -10.817 92 2HA GLY 12 HA1 GLY 12 -15.405 1.696 -10.154 93 H LEU 13 HN LEU 13 -14.500 0.451 -8.398 94 HA LEU 13 HA LEU 13 -15.819 -1.971 -7.468 95 1HB LEU 13 HB2 LEU 13 -14.780 -2.325 -9.913 96 2HB LEU 13 HB1 LEU 13 -13.309 -2.570 -8.971 97 HG LEU 13 HG LEU 13 -15.141 -4.035 -7.540 98 1HD1 LEU 13 HD11 LEU 13 -16.375 -3.531 -10.017 99 2HD1 LEU 13 HD12 LEU 13 -16.859 -4.732 -8.821 100 3HD1 LEU 13 HD13 LEU 13 -15.765 -5.181 -10.129 101 1HD2 LEU 13 HD21 LEU 13 -12.764 -4.507 -8.634 102 2HD2 LEU 13 HD22 LEU 13 -13.739 -5.338 -9.847 103 3HD2 LEU 13 HD23 LEU 13 -13.816 -5.840 -8.158 104 H LEU 14 HN LEU 14 -13.167 -3.292 -7.068 105 HA LEU 14 HA LEU 14 -12.229 -1.506 -4.870 106 1HB LEU 14 HB2 LEU 14 -12.064 -4.504 -5.257 107 2HB LEU 14 HB1 LEU 14 -11.212 -3.648 -3.973 108 HG LEU 14 HG LEU 14 -14.201 -3.447 -4.409 109 1HD1 LEU 14 HD11 LEU 14 -14.492 -5.368 -3.263 110 2HD1 LEU 14 HD12 LEU 14 -13.339 -4.869 -2.024 111 3HD1 LEU 14 HD13 LEU 14 -12.769 -5.673 -3.486 112 1HD2 LEU 14 HD21 LEU 14 -13.313 -1.560 -3.194 113 2HD2 LEU 14 HD22 LEU 14 -12.306 -2.608 -2.195 114 3HD2 LEU 14 HD23 LEU 14 -14.059 -2.632 -2.009 115 H VAL 15 HN VAL 15 -10.701 -0.254 -6.004 116 HA VAL 15 HA VAL 15 -8.246 -1.730 -6.781 117 HB VAL 15 HB VAL 15 -8.102 -0.142 -8.811 118 1HG1 VAL 15 1HG1 VAL 15 -9.837 -2.551 -8.471 119 2HG1 VAL 15 2HG1 VAL 15 -8.389 -2.342 -9.456 120 3HG1 VAL 15 3HG1 VAL 15 -9.931 -1.684 -10.005 121 1HG2 VAL 15 1HG2 VAL 15 -9.963 1.331 -8.111 122 2HG2 VAL 15 2HG2 VAL 15 -11.082 -0.027 -8.237 123 3HG2 VAL 15 3HG2 VAL 15 -10.290 0.601 -9.683 124 H PHE 16 HN PHE 16 -6.340 -0.352 -6.753 125 HA PHE 16 HA PHE 16 -6.431 1.662 -4.684 126 1HB PHE 16 HB2 PHE 16 -4.346 0.516 -6.485 127 2HB PHE 16 HB1 PHE 16 -4.011 2.082 -5.750 128 HD1 PHE 16 HD1 PHE 16 -4.470 -1.503 -5.148 129 HD2 PHE 16 HD2 PHE 16 -3.939 2.335 -3.294 130 HE1 PHE 16 HE1 PHE 16 -3.894 -2.616 -3.006 131 HE2 PHE 16 HE2 PHE 16 -3.365 1.223 -1.154 132 HZ PHE 16 HZ PHE 16 -3.341 -1.251 -1.009 133 H GLU 17 HN GLU 17 -6.332 3.907 -4.878 134 HA GLU 17 HA GLU 17 -6.407 5.035 -7.639 135 1HB GLU 17 HB2 GLU 17 -8.409 5.337 -5.434 136 2HB GLU 17 HB1 GLU 17 -8.102 6.721 -6.484 137 1HG GLU 17 HG2 GLU 17 -8.299 4.635 -8.284 138 2HG GLU 17 HG1 GLU 17 -9.507 4.213 -7.070 139 HA PRO 18 HA PRO 18 -5.223 5.939 -8.688 140 1HB PRO 18 HB2 PRO 18 -2.555 6.313 -9.216 141 2HB PRO 18 HB1 PRO 18 -3.769 7.593 -9.347 142 1HG PRO 18 HG2 PRO 18 -1.696 7.165 -7.251 143 2HG PRO 18 HG1 PRO 18 -2.469 8.670 -7.774 144 1HD PRO 18 HD2 PRO 18 -3.103 7.215 -5.443 145 2HD PRO 18 HD1 PRO 18 -4.084 8.507 -6.164 146 H ALA 19 HN ALA 19 -3.482 4.333 -9.853 147 HA ALA 19 HA ALA 19 -3.335 2.010 -8.068 148 1HB ALA 19 HB1 ALA 19 -2.659 2.300 -11.008 149 2HB ALA 19 HB2 ALA 19 -4.192 1.721 -10.356 150 3HB ALA 19 HB3 ALA 19 -2.721 0.776 -10.122 151 H LYS 20 HN LYS 20 -1.274 4.535 -8.966 152 HA LYS 20 HA LYS 20 1.055 2.984 -7.947 153 1HB LYS 20 HB2 LYS 20 0.951 4.625 -10.487 154 2HB LYS 20 HB1 LYS 20 2.467 4.204 -9.688 155 1HG LYS 20 HG2 LYS 20 1.624 1.770 -9.763 156 2HG LYS 20 HG1 LYS 20 0.428 2.350 -10.922 157 1HD LYS 20 HD2 LYS 20 3.303 3.077 -11.350 158 2HD LYS 20 HD1 LYS 20 2.777 1.442 -11.752 159 1HE LYS 20 HE2 LYS 20 0.794 2.724 -12.953 160 2HE LYS 20 HE1 LYS 20 1.956 4.051 -12.975 161 1HZ LYS 20 HZ1 LYS 20 3.548 2.607 -14.059 162 2HZ LYS 20 HZ2 LYS 20 2.112 2.682 -14.966 163 3HZ LYS 20 HZ3 LYS 20 2.451 1.314 -14.016 164 H LEU 21 HN LEU 21 2.321 4.170 -6.543 165 HA LEU 21 HA LEU 21 1.678 7.083 -6.301 166 1HB LEU 21 HB2 LEU 21 1.977 4.947 -4.208 167 2HB LEU 21 HB1 LEU 21 2.364 6.621 -3.810 168 HG LEU 21 HG LEU 21 -0.006 6.055 -3.295 169 1HD1 LEU 21 HD11 LEU 21 -0.760 8.123 -3.971 170 2HD1 LEU 21 HD12 LEU 21 -0.185 7.908 -5.624 171 3HD1 LEU 21 HD13 LEU 21 0.951 8.335 -4.344 172 1HD2 LEU 21 HD21 LEU 21 -1.445 5.169 -4.852 173 2HD2 LEU 21 HD22 LEU 21 0.056 4.553 -5.545 174 3HD2 LEU 21 HD23 LEU 21 -0.679 6.019 -6.194 175 H THR 22 HN THR 22 3.431 8.388 -6.502 176 HA THR 22 HA THR 22 6.125 7.122 -6.442 177 HB THR 22 HB THR 22 5.300 9.871 -7.434 178 HG1 THR 22 HG1 THR 22 6.063 7.678 -9.022 179 1HG2 THR 22 1HG2 THR 22 7.869 8.459 -7.103 180 2HG2 THR 22 2HG2 THR 22 7.542 10.187 -7.239 181 3HG2 THR 22 3HG2 THR 22 7.632 9.189 -8.691 182 H ILE 23 HN ILE 23 6.641 7.098 -4.244 183 HA ILE 23 HA ILE 23 6.364 9.643 -2.747 184 HB ILE 23 HB ILE 23 6.858 8.188 -0.748 185 1HG1 ILE 23 2HG1 ILE 23 6.186 5.707 -2.098 186 2HG1 ILE 23 1HG1 ILE 23 7.664 6.398 -2.763 187 1HG2 ILE 23 1HG2 ILE 23 4.500 8.362 -2.347 188 2HG2 ILE 23 2HG2 ILE 23 4.617 8.101 -0.607 189 3HG2 ILE 23 3HG2 ILE 23 4.597 6.722 -1.706 190 1HD1 ILE 23 HD11 ILE 23 7.227 6.166 0.217 191 2HD1 ILE 23 HD12 ILE 23 8.744 6.411 -0.649 192 3HD1 ILE 23 HD13 ILE 23 7.928 4.849 -0.724 193 H LYS 24 HN LYS 24 8.238 9.598 -0.918 194 HA LYS 24 HA LYS 24 10.816 9.421 -2.417 195 1HB LYS 24 HB2 LYS 24 9.588 11.557 -0.914 196 2HB LYS 24 HB1 LYS 24 11.099 11.093 -0.135 197 1HG LYS 24 HG2 LYS 24 12.384 11.723 -1.955 198 2HG LYS 24 HG1 LYS 24 11.106 11.352 -3.110 199 1HD LYS 24 HD2 LYS 24 10.184 13.428 -2.957 200 2HD LYS 24 HD1 LYS 24 10.497 13.548 -1.225 201 1HE LYS 24 HE2 LYS 24 12.950 13.509 -2.832 202 2HE LYS 24 HE1 LYS 24 11.907 14.883 -3.200 203 1HZ LYS 24 HZ1 LYS 24 11.759 15.045 -0.629 204 2HZ LYS 24 HZ2 LYS 24 13.116 15.671 -1.438 205 3HZ LYS 24 HZ3 LYS 24 13.206 14.161 -0.664 206 HA PRO 25 HA PRO 25 12.365 6.812 0.759 207 1HB PRO 25 HB2 PRO 25 14.754 7.946 1.521 208 2HB PRO 25 HB1 PRO 25 14.513 7.106 -0.019 209 1HG PRO 25 HG2 PRO 25 14.735 10.031 0.506 210 2HG PRO 25 HG1 PRO 25 15.120 9.122 -0.965 211 1HD PRO 25 HD2 PRO 25 12.792 10.658 -0.530 212 2HD PRO 25 HD1 PRO 25 13.030 9.485 -1.842 213 H GLY 26 HN GLY 26 10.510 7.619 2.218 214 1HA GLY 26 HA2 GLY 26 10.793 7.715 4.806 215 2HA GLY 26 HA1 GLY 26 11.562 9.267 4.481 216 H ASP 27 HN ASP 27 9.254 9.013 2.163 217 HA ASP 27 HA ASP 27 7.569 11.007 3.331 218 1HB ASP 27 HB2 ASP 27 7.438 9.260 0.908 219 2HB ASP 27 HB1 ASP 27 5.950 10.049 1.434 220 H THR 28 HN THR 28 4.959 10.250 3.079 221 HA THR 28 HA THR 28 4.644 7.815 4.742 222 HB THR 28 HB THR 28 3.461 10.538 5.349 223 HG1 THR 28 HG1 THR 28 4.604 9.718 7.428 224 1HG2 THR 28 1HG2 THR 28 1.907 8.570 5.688 225 2HG2 THR 28 2HG2 THR 28 2.270 9.484 7.152 226 3HG2 THR 28 3HG2 THR 28 3.072 7.942 6.854 227 H VAL 29 HN VAL 29 3.327 6.542 3.520 228 HA VAL 29 HA VAL 29 1.252 7.835 1.852 229 HB VAL 29 HB VAL 29 1.716 4.888 1.760 230 1HG1 VAL 29 1HG1 VAL 29 1.155 5.171 -0.531 231 2HG1 VAL 29 2HG1 VAL 29 1.525 6.895 -0.491 232 3HG1 VAL 29 3HG1 VAL 29 0.089 6.283 0.329 233 1HG2 VAL 29 1HG2 VAL 29 3.787 6.943 1.271 234 2HG2 VAL 29 2HG2 VAL 29 3.569 5.788 -0.043 235 3HG2 VAL 29 3HG2 VAL 29 3.968 5.216 1.577 236 H GLU 30 HN GLU 30 -0.864 7.736 2.473 237 HA GLU 30 HA GLU 30 -1.529 6.052 4.813 238 1HB GLU 30 HB2 GLU 30 -2.732 8.518 3.591 239 2HB GLU 30 HB1 GLU 30 -3.725 7.480 4.616 240 1HG GLU 30 HG2 GLU 30 -2.060 7.673 6.428 241 2HG GLU 30 HG1 GLU 30 -1.071 8.718 5.407 242 H PHE 31 HN PHE 31 -3.704 4.946 4.740 243 HA PHE 31 HA PHE 31 -4.703 4.345 2.023 244 1HB PHE 31 HB2 PHE 31 -4.166 1.934 3.682 245 2HB PHE 31 HB1 PHE 31 -4.071 2.140 1.934 246 HD1 PHE 31 HD1 PHE 31 -2.277 2.523 5.130 247 HD2 PHE 31 HD2 PHE 31 -2.035 3.020 0.869 248 HE1 PHE 31 HE1 PHE 31 0.174 2.804 5.301 249 HE2 PHE 31 HE2 PHE 31 0.418 3.299 1.044 250 HZ PHE 31 HZ PHE 31 1.522 3.193 3.261 251 H LEU 32 HN LEU 32 -6.828 3.357 2.082 252 HA LEU 32 HA LEU 32 -8.072 3.113 4.759 253 1HB LEU 32 HB2 LEU 32 -9.369 4.696 2.531 254 2HB LEU 32 HB1 LEU 32 -9.882 4.585 4.213 255 HG LEU 32 HG LEU 32 -7.433 5.524 4.658 256 1HD1 LEU 32 HD11 LEU 32 -7.114 7.318 2.779 257 2HD1 LEU 32 HD12 LEU 32 -8.064 6.205 1.794 258 3HD1 LEU 32 HD13 LEU 32 -6.534 5.677 2.496 259 1HD2 LEU 32 HD21 LEU 32 -8.563 7.383 5.305 260 2HD2 LEU 32 HD22 LEU 32 -9.998 6.547 4.710 261 3HD2 LEU 32 HD23 LEU 32 -9.152 7.695 3.672 262 H ASN 33 HN ASN 33 -10.712 2.786 3.847 263 HA ASN 33 HA ASN 33 -10.479 0.401 2.052 264 1HB ASN 33 HB2 ASN 33 -11.778 -0.890 3.466 265 2HB ASN 33 HB1 ASN 33 -10.999 0.133 4.661 266 1HD2 ASN 33 HD21 ASN 33 -13.547 -1.120 5.079 267 2HD2 ASN 33 HD22 ASN 33 -14.691 0.115 5.241 268 H ASN 34 HN ASN 34 -12.809 -0.138 1.153 269 HA ASN 34 HA ASN 34 -14.051 2.469 0.372 270 1HB ASN 34 HB2 ASN 34 -13.133 1.361 -1.571 271 2HB ASN 34 HB1 ASN 34 -13.900 -0.163 -1.125 272 1HD2 ASN 34 HD21 ASN 34 -14.791 0.274 -3.479 273 2HD2 ASN 34 HD22 ASN 34 -16.258 1.117 -3.557 274 H LYS 35 HN LYS 35 -15.587 -0.581 -0.333 275 HA LYS 35 HA LYS 35 -17.356 -0.354 2.015 276 1HB LYS 35 HB2 LYS 35 -19.375 -0.097 0.787 277 2HB LYS 35 HB1 LYS 35 -18.273 1.091 0.095 278 1HG LYS 35 HG2 LYS 35 -18.506 0.143 -1.927 279 2HG LYS 35 HG1 LYS 35 -17.901 -1.387 -1.294 280 1HD LYS 35 HD2 LYS 35 -20.436 -1.375 -0.279 281 2HD LYS 35 HD1 LYS 35 -20.682 -0.526 -1.805 282 1HE LYS 35 HE2 LYS 35 -19.411 -3.254 -1.439 283 2HE LYS 35 HE1 LYS 35 -20.973 -2.911 -2.184 284 1HZ LYS 35 HZ1 LYS 35 -19.705 -1.499 -3.806 285 2HZ LYS 35 HZ2 LYS 35 -19.442 -3.172 -3.933 286 3HZ LYS 35 HZ3 LYS 35 -18.283 -2.180 -3.185 287 H VAL 36 HN VAL 36 -15.380 -2.249 1.020 288 HA VAL 36 HA VAL 36 -17.053 -4.674 1.170 289 HB VAL 36 HB VAL 36 -14.965 -4.832 -0.931 290 1HG1 VAL 36 1HG1 VAL 36 -16.198 -6.634 -1.489 291 2HG1 VAL 36 2HG1 VAL 36 -17.673 -5.672 -1.589 292 3HG1 VAL 36 3HG1 VAL 36 -17.152 -6.329 -0.037 293 1HG2 VAL 36 1HG2 VAL 36 -15.912 -2.638 -1.475 294 2HG2 VAL 36 2HG2 VAL 36 -17.546 -3.290 -1.353 295 3HG2 VAL 36 3HG2 VAL 36 -16.475 -3.832 -2.644 296 HA PRO 37 HA PRO 37 -12.876 -4.699 3.285 297 1HB PRO 37 HB2 PRO 37 -13.825 -4.567 5.862 298 2HB PRO 37 HB1 PRO 37 -13.402 -3.137 4.904 299 1HG PRO 37 HG2 PRO 37 -16.100 -4.198 5.608 300 2HG PRO 37 HG1 PRO 37 -15.606 -2.534 5.250 301 1HD PRO 37 HD2 PRO 37 -16.939 -4.279 3.472 302 2HD PRO 37 HD1 PRO 37 -16.132 -2.758 3.037 303 HA PRO 38 HA PRO 38 -12.074 -5.092 5.503 304 1HB PRO 38 HB2 PRO 38 -10.207 -6.868 6.443 305 2HB PRO 38 HB1 PRO 38 -11.664 -6.428 7.350 306 1HG PRO 38 HG2 PRO 38 -11.051 -8.961 5.917 307 2HG PRO 38 HG1 PRO 38 -12.166 -8.676 7.263 308 1HD PRO 38 HD2 PRO 38 -12.862 -8.956 4.510 309 2HD PRO 38 HD1 PRO 38 -13.938 -8.462 5.835 310 H HIS 39 HN HIS 39 -9.618 -4.793 5.059 311 HA HIS 39 HA HIS 39 -8.834 -6.131 2.513 312 1HB HIS 39 HB2 HIS 39 -8.749 -3.170 3.142 313 2HB HIS 39 HB1 HIS 39 -7.880 -3.898 1.790 314 HD2 HIS 39 HD2 HIS 39 -11.549 -2.974 2.787 315 HE1 HIS 39 HE1 HIS 39 -11.664 -4.666 -1.077 316 HE2 HIS 39 HE2 HIS 39 -13.029 -3.542 0.720 317 H ASN 40 HN ASN 40 -6.640 -6.602 2.345 318 HA ASN 40 HA ASN 40 -5.009 -5.962 4.769 319 1HB ASN 40 HB2 ASN 40 -5.424 -8.369 4.471 320 2HB ASN 40 HB1 ASN 40 -4.775 -8.288 2.833 321 1HD2 ASN 40 HD21 ASN 40 -3.466 -6.609 5.717 322 2HD2 ASN 40 HD22 ASN 40 -1.973 -7.418 5.704 323 H VAL 41 HN VAL 41 -3.451 -4.484 4.382 324 HA VAL 41 HA VAL 41 -2.403 -4.219 1.596 325 HB VAL 41 HB VAL 41 -2.726 -2.286 3.891 326 1HG1 VAL 41 1HG1 VAL 41 -1.393 -0.671 2.402 327 2HG1 VAL 41 2HG1 VAL 41 -0.777 -2.110 1.589 328 3HG1 VAL 41 3HG1 VAL 41 -0.461 -1.864 3.307 329 1HG2 VAL 41 1HG2 VAL 41 -3.841 -0.947 2.217 330 2HG2 VAL 41 2HG2 VAL 41 -4.476 -2.588 2.096 331 3HG2 VAL 41 3HG2 VAL 41 -3.288 -2.013 0.926 332 H VAL 42 HN VAL 42 -0.482 -5.315 1.392 333 HA VAL 42 HA VAL 42 1.512 -4.952 3.568 334 HB VAL 42 HB VAL 42 1.196 -7.635 2.243 335 1HG1 VAL 42 1HG1 VAL 42 2.988 -8.026 3.551 336 2HG1 VAL 42 2HG1 VAL 42 1.949 -7.795 4.957 337 3HG1 VAL 42 3HG1 VAL 42 2.848 -6.432 4.292 338 1HG2 VAL 42 1HG2 VAL 42 -0.951 -7.494 3.148 339 2HG2 VAL 42 2HG2 VAL 42 -0.439 -6.426 4.454 340 3HG2 VAL 42 3HG2 VAL 42 -0.045 -8.144 4.515 341 H PHE 43 HN PHE 43 3.730 -5.781 2.804 342 HA PHE 43 HA PHE 43 4.071 -5.116 -0.093 343 1HB PHE 43 HB2 PHE 43 6.193 -4.739 2.023 344 2HB PHE 43 HB1 PHE 43 6.103 -4.010 0.421 345 HD1 PHE 43 HD1 PHE 43 4.464 -4.107 3.757 346 HD2 PHE 43 HD2 PHE 43 4.974 -1.948 0.080 347 HE1 PHE 43 HE1 PHE 43 3.273 -2.164 4.726 348 HE2 PHE 43 HE2 PHE 43 3.780 -0.007 1.058 349 HZ PHE 43 HZ PHE 43 2.941 -0.121 3.390 350 H ASP 44 HN ASP 44 4.479 -7.026 -1.130 351 HA ASP 44 HA ASP 44 5.331 -9.441 -0.016 352 1HB ASP 44 HB2 ASP 44 4.669 -8.741 -2.503 353 2HB ASP 44 HB1 ASP 44 6.421 -8.704 -2.702 354 H ALA 45 HN ALA 45 7.321 -10.297 0.567 355 HA ALA 45 HA ALA 45 9.508 -8.387 0.920 356 1HB ALA 45 HB1 ALA 45 8.777 -10.180 2.611 357 2HB ALA 45 HB2 ALA 45 10.509 -10.032 2.311 358 3HB ALA 45 HB3 ALA 45 9.591 -11.336 1.558 359 H ALA 46 HN ALA 46 8.594 -9.810 -1.767 360 HA ALA 46 HA ALA 46 11.376 -10.589 -2.556 361 1HB ALA 46 HB1 ALA 46 10.007 -12.549 -2.724 362 2HB ALA 46 HB2 ALA 46 10.210 -11.947 -4.370 363 3HB ALA 46 HB3 ALA 46 8.704 -11.650 -3.502 364 H LEU 47 HN LEU 47 9.895 -7.928 -2.618 365 HA LEU 47 HA LEU 47 10.350 -7.406 -5.524 366 1HB LEU 47 HB2 LEU 47 8.512 -5.559 -5.089 367 2HB LEU 47 HB1 LEU 47 8.032 -7.214 -5.465 368 HG LEU 47 HG LEU 47 8.000 -7.639 -2.950 369 1HD1 LEU 47 HD11 LEU 47 7.613 -5.470 -1.638 370 2HD1 LEU 47 HD12 LEU 47 8.324 -4.633 -3.017 371 3HD1 LEU 47 HD13 LEU 47 9.278 -5.808 -2.111 372 1HD2 LEU 47 HD21 LEU 47 6.112 -5.686 -4.285 373 2HD2 LEU 47 HD22 LEU 47 5.801 -6.358 -2.684 374 3HD2 LEU 47 HD23 LEU 47 5.905 -7.426 -4.084 375 H ASN 48 HN ASN 48 12.348 -7.049 -3.630 376 HA ASN 48 HA ASN 48 12.385 -4.075 -3.303 377 1HB ASN 48 HB2 ASN 48 14.241 -4.785 -1.531 378 2HB ASN 48 HB1 ASN 48 12.531 -4.764 -1.100 379 1HD2 ASN 48 HD21 ASN 48 13.159 -6.470 0.542 380 2HD2 ASN 48 HD22 ASN 48 13.290 -8.084 0.032 381 HA PRO 49 HA PRO 49 15.966 -4.053 -5.836 382 1HB PRO 49 HB2 PRO 49 17.186 -1.793 -4.854 383 2HB PRO 49 HB1 PRO 49 15.752 -1.758 -5.895 384 1HG PRO 49 HG2 PRO 49 15.952 -1.271 -2.958 385 2HG PRO 49 HG1 PRO 49 14.768 -0.650 -4.120 386 1HD PRO 49 HD2 PRO 49 14.341 -2.778 -2.310 387 2HD PRO 49 HD1 PRO 49 13.319 -2.380 -3.708 388 H ALA 50 HN ALA 50 16.271 -4.135 -2.361 389 HA ALA 50 HA ALA 50 19.035 -5.220 -2.686 390 1HB ALA 50 HB1 ALA 50 19.284 -3.129 -1.545 391 2HB ALA 50 HB2 ALA 50 19.394 -4.375 -0.301 392 3HB ALA 50 HB3 ALA 50 17.900 -3.460 -0.503 393 H LYS 51 HN LYS 51 16.395 -6.547 -2.652 394 HA LYS 51 HA LYS 51 15.249 -8.279 -1.507 395 1HB LYS 51 HB2 LYS 51 17.163 -9.404 -2.574 396 2HB LYS 51 HB1 LYS 51 18.152 -9.079 -1.150 397 1HG LYS 51 HG2 LYS 51 15.876 -10.270 -0.093 398 2HG LYS 51 HG1 LYS 51 16.157 -11.171 -1.583 399 1HD LYS 51 HD2 LYS 51 18.131 -10.716 0.670 400 2HD LYS 51 HD1 LYS 51 17.413 -12.251 0.180 401 1HE LYS 51 HE2 LYS 51 19.130 -12.552 -1.242 402 2HE LYS 51 HE1 LYS 51 18.580 -11.143 -2.148 403 1HZ LYS 51 HZ1 LYS 51 19.815 -9.973 -0.104 404 2HZ LYS 51 HZ2 LYS 51 20.587 -10.352 -1.570 405 3HZ LYS 51 HZ3 LYS 51 20.745 -11.385 -0.231 406 H SER 52 HN SER 52 15.337 -6.126 0.212 407 HA SER 52 HA SER 52 16.198 -7.329 2.812 408 1HB SER 52 HB2 SER 52 15.874 -4.461 1.921 409 2HB SER 52 HB1 SER 52 15.962 -4.901 3.624 410 HG SER 52 HG SER 52 18.037 -4.678 3.171 411 H ALA 53 HN ALA 53 14.650 -7.605 4.413 412 HA ALA 53 HA ALA 53 11.870 -6.743 3.714 413 1HB ALA 53 HB1 ALA 53 11.360 -8.940 3.730 414 2HB ALA 53 HB2 ALA 53 11.653 -8.909 5.469 415 3HB ALA 53 HB3 ALA 53 12.949 -9.367 4.365 416 H ASP 54 HN ASP 54 14.086 -5.555 5.482 417 HA ASP 54 HA ASP 54 13.009 -5.802 8.185 418 1HB ASP 54 HB2 ASP 54 15.355 -4.614 6.914 419 2HB ASP 54 HB1 ASP 54 14.656 -3.557 8.142 420 H LEU 55 HN LEU 55 12.755 -3.541 5.496 421 HA LEU 55 HA LEU 55 11.103 -1.727 7.169 422 1HB LEU 55 HB2 LEU 55 11.419 -0.084 5.503 423 2HB LEU 55 HB1 LEU 55 12.962 -0.933 5.538 424 HG LEU 55 HG LEU 55 11.330 -2.365 3.725 425 1HD1 LEU 55 HD11 LEU 55 9.829 -0.459 3.565 426 2HD1 LEU 55 HD12 LEU 55 10.794 -0.538 2.092 427 3HD1 LEU 55 HD13 LEU 55 11.190 0.640 3.344 428 1HD2 LEU 55 HD21 LEU 55 13.769 -2.072 3.587 429 2HD2 LEU 55 HD22 LEU 55 13.553 -0.355 3.251 430 3HD2 LEU 55 HD23 LEU 55 13.002 -1.557 2.085 431 H ALA 56 HN ALA 56 10.324 -4.482 6.066 432 HA ALA 56 HA ALA 56 7.920 -3.596 4.523 433 1HB ALA 56 HB1 ALA 56 9.780 -5.807 4.180 434 2HB ALA 56 HB2 ALA 56 8.540 -5.213 3.075 435 3HB ALA 56 HB3 ALA 56 8.119 -6.385 4.324 436 H LYS 57 HN LYS 57 9.086 -5.512 7.246 437 HA LYS 57 HA LYS 57 6.488 -6.573 7.958 438 1HB LYS 57 HB2 LYS 57 9.154 -6.354 9.328 439 2HB LYS 57 HB1 LYS 57 7.730 -6.792 10.272 440 1HG LYS 57 HG2 LYS 57 8.649 -8.863 9.542 441 2HG LYS 57 HG1 LYS 57 7.277 -8.567 8.475 442 1HD LYS 57 HD2 LYS 57 9.625 -7.291 7.396 443 2HD LYS 57 HD1 LYS 57 9.973 -8.988 7.724 444 1HE LYS 57 HE2 LYS 57 7.625 -7.937 6.119 445 2HE LYS 57 HE1 LYS 57 9.053 -8.736 5.461 446 1HZ LYS 57 HZ1 LYS 57 8.074 -10.672 5.818 447 2HZ LYS 57 HZ2 LYS 57 6.720 -9.902 6.496 448 3HZ LYS 57 HZ3 LYS 57 8.026 -10.356 7.483 449 H SER 58 HN SER 58 8.462 -3.865 9.199 450 HA SER 58 HA SER 58 6.301 -2.951 10.939 451 1HB SER 58 HB2 SER 58 8.454 -2.391 11.733 452 2HB SER 58 HB1 SER 58 8.995 -1.846 10.148 453 HG SER 58 HG SER 58 8.142 -0.324 12.004 454 H LEU 59 HN LEU 59 6.697 -2.854 7.645 455 HA LEU 59 HA LEU 59 5.626 -0.128 7.247 456 1HB LEU 59 HB2 LEU 59 7.259 -1.587 5.700 457 2HB LEU 59 HB1 LEU 59 5.727 -2.117 5.025 458 HG LEU 59 HG LEU 59 5.081 0.233 4.642 459 1HD1 LEU 59 HD11 LEU 59 7.773 0.723 5.922 460 2HD1 LEU 59 HD12 LEU 59 6.213 1.417 6.361 461 3HD1 LEU 59 HD13 LEU 59 7.016 1.922 4.874 462 1HD2 LEU 59 HD21 LEU 59 7.424 -1.082 3.434 463 2HD2 LEU 59 HD22 LEU 59 7.379 0.661 3.176 464 3HD2 LEU 59 HD23 LEU 59 6.027 -0.343 2.653 465 H SER 60 HN SER 60 4.619 -3.495 6.650 466 HA SER 60 HA SER 60 1.914 -2.685 5.924 467 1HB SER 60 HB2 SER 60 1.541 -5.218 6.027 468 2HB SER 60 HB1 SER 60 2.726 -4.642 4.860 469 HG SER 60 HG SER 60 4.234 -5.625 5.933 470 H HIS 61 HN HIS 61 0.006 -3.595 7.095 471 HA HIS 61 HA HIS 61 0.477 -3.704 10.046 472 1HB HIS 61 HB2 HIS 61 -1.259 -2.208 10.455 473 2HB HIS 61 HB1 HIS 61 -0.620 -1.558 8.947 474 HD1 HIS 61 HD1 HIS 61 -3.620 -3.177 10.429 475 HD2 HIS 61 HD2 HIS 61 -2.243 -2.173 6.618 476 HE1 HIS 61 HE1 HIS 61 -5.610 -3.368 8.866 477 H LYS 62 HN LYS 62 -2.168 -4.302 10.790 478 HA LYS 62 HA LYS 62 -2.277 -7.121 10.249 479 1HB LYS 62 HB2 LYS 62 -4.562 -5.408 11.258 480 2HB LYS 62 HB1 LYS 62 -4.297 -7.127 11.550 481 1HG LYS 62 HG2 LYS 62 -3.020 -6.666 13.342 482 2HG LYS 62 HG1 LYS 62 -1.962 -5.651 12.362 483 1HD LYS 62 HD2 LYS 62 -3.075 -3.708 12.919 484 2HD LYS 62 HD1 LYS 62 -4.618 -4.533 13.143 485 1HE LYS 62 HE2 LYS 62 -3.927 -3.935 15.336 486 2HE LYS 62 HE1 LYS 62 -3.535 -5.649 15.191 487 1HZ LYS 62 HZ1 LYS 62 -1.807 -3.563 15.782 488 2HZ LYS 62 HZ2 LYS 62 -1.392 -4.094 14.222 489 3HZ LYS 62 HZ3 LYS 62 -1.410 -5.191 15.518 490 H GLN 63 HN GLN 63 -5.011 -7.610 9.713 491 HA GLN 63 HA GLN 63 -5.441 -6.356 7.043 492 1HB GLN 63 HB2 GLN 63 -6.082 -8.669 6.209 493 2HB GLN 63 HB1 GLN 63 -4.361 -8.430 6.513 494 1HG GLN 63 HG2 GLN 63 -4.627 -9.463 8.751 495 2HG GLN 63 HG1 GLN 63 -6.333 -9.745 8.404 496 1HE2 GLN 63 1HE2 GLN 63 -3.084 -10.456 7.002 497 2HE2 GLN 63 2HE2 GLN 63 -3.523 -11.974 6.383 498 H LEU 64 HN LEU 64 -6.837 -5.727 9.425 499 HA LEU 64 HA LEU 64 -9.506 -6.916 8.808 500 1HB LEU 64 HB2 LEU 64 -8.228 -6.312 11.469 501 2HB LEU 64 HB1 LEU 64 -9.981 -6.433 11.295 502 HG LEU 64 HG LEU 64 -8.931 -8.637 9.903 503 1HD1 LEU 64 HD11 LEU 64 -6.804 -8.497 10.951 504 2HD1 LEU 64 HD12 LEU 64 -7.685 -9.728 11.856 505 3HD1 LEU 64 HD13 LEU 64 -7.516 -8.101 12.515 506 1HD2 LEU 64 HD21 LEU 64 -10.865 -9.199 10.968 507 2HD2 LEU 64 HD22 LEU 64 -10.575 -8.062 12.285 508 3HD2 LEU 64 HD23 LEU 64 -9.805 -9.649 12.305 509 H LEU 65 HN LEU 65 -9.611 -4.950 7.348 510 HA LEU 65 HA LEU 65 -9.786 -2.345 8.714 511 1HB LEU 65 HB2 LEU 65 -10.165 -3.232 5.849 512 2HB LEU 65 HB1 LEU 65 -10.521 -1.591 6.374 513 HG LEU 65 HG LEU 65 -8.255 -1.195 7.013 514 1HD1 LEU 65 HD11 LEU 65 -7.609 -3.177 8.135 515 2HD1 LEU 65 HD12 LEU 65 -6.574 -3.138 6.707 516 3HD1 LEU 65 HD13 LEU 65 -7.988 -4.190 6.741 517 1HD2 LEU 65 HD21 LEU 65 -8.980 -1.800 4.414 518 2HD2 LEU 65 HD22 LEU 65 -7.528 -2.773 4.644 519 3HD2 LEU 65 HD23 LEU 65 -7.468 -1.029 4.890 520 H MET 66 HN MET 66 -11.609 -2.176 9.985 521 HA MET 66 HA MET 66 -14.198 -3.067 8.787 522 1HB MET 66 HB2 MET 66 -13.271 -3.856 11.149 523 2HB MET 66 HB1 MET 66 -13.949 -2.316 11.675 524 1HG MET 66 HG2 MET 66 -16.020 -3.182 10.203 525 2HG MET 66 HG1 MET 66 -15.338 -4.746 10.647 526 1HE MET 66 HE1 MET 66 -18.528 -3.608 12.566 527 2HE MET 66 HE2 MET 66 -17.844 -5.231 12.597 528 3HE MET 66 HE3 MET 66 -17.858 -4.317 11.091 529 H SER 67 HN SER 67 -12.406 -0.347 9.006 530 HA SER 67 HA SER 67 -14.672 1.435 9.720 531 1HB SER 67 HB2 SER 67 -12.180 1.717 10.511 532 2HB SER 67 HB1 SER 67 -11.948 2.414 8.910 533 HG SER 67 HG SER 67 -14.030 3.213 10.658 534 HA PRO 68 HA PRO 68 -15.407 1.966 5.376 535 1HB PRO 68 HB2 PRO 68 -17.331 3.911 5.641 536 2HB PRO 68 HB1 PRO 68 -17.638 2.187 5.918 537 1HG PRO 68 HG2 PRO 68 -17.357 4.386 7.910 538 2HG PRO 68 HG1 PRO 68 -18.233 2.853 8.047 539 1HD PRO 68 HD2 PRO 68 -15.695 3.427 9.174 540 2HD PRO 68 HD1 PRO 68 -16.443 1.822 9.038 541 H GLY 69 HN GLY 69 -13.164 2.997 5.225 542 1HA GLY 69 HA2 GLY 69 -12.393 4.932 3.861 543 2HA GLY 69 HA1 GLY 69 -13.449 5.953 4.838 544 H GLN 70 HN GLN 70 -11.058 3.444 5.711 545 HA GLN 70 HA GLN 70 -9.015 5.127 6.650 546 1HB GLN 70 HB2 GLN 70 -10.514 6.151 8.211 547 2HB GLN 70 HB1 GLN 70 -11.179 4.592 8.698 548 1HG GLN 70 HG2 GLN 70 -8.308 4.597 9.045 549 2HG GLN 70 HG1 GLN 70 -9.026 5.967 9.895 550 1HE2 GLN 70 1HE2 GLN 70 -10.356 5.527 11.739 551 2HE2 GLN 70 2HE2 GLN 70 -10.583 3.963 12.358 552 H SER 71 HN SER 71 -7.464 3.573 6.442 553 HA SER 71 HA SER 71 -8.029 0.906 7.653 554 1HB SER 71 HB2 SER 71 -6.468 -0.052 6.090 555 2HB SER 71 HB1 SER 71 -7.561 0.978 5.171 556 HG SER 71 HG SER 71 -4.922 1.107 5.338 557 H THR 72 HN THR 72 -4.954 2.442 6.760 558 HA THR 72 HA THR 72 -4.198 2.893 9.544 559 HB THR 72 HB THR 72 -3.867 0.404 9.208 560 HG1 THR 72 HG1 THR 72 -2.529 1.934 10.545 561 1HG2 THR 72 1HG2 THR 72 -3.223 0.310 6.903 562 2HG2 THR 72 2HG2 THR 72 -1.804 -0.168 7.835 563 3HG2 THR 72 3HG2 THR 72 -1.908 1.457 7.157 564 H SER 73 HN SER 73 -1.928 3.800 9.625 565 HA SER 73 HA SER 73 -1.265 5.105 7.013 566 1HB SER 73 HB2 SER 73 -1.922 6.851 8.468 567 2HB SER 73 HB1 SER 73 -1.137 6.106 9.858 568 HG SER 73 HG SER 73 0.325 7.565 9.279 569 H THR 74 HN THR 74 0.695 4.584 6.197 570 HA THR 74 HA THR 74 2.637 3.246 8.027 571 HB THR 74 HB THR 74 2.358 3.116 5.008 572 HG1 THR 74 HG1 THR 74 2.159 0.995 6.840 573 1HG2 THR 74 1HG2 THR 74 4.701 2.891 6.369 574 2HG2 THR 74 2HG2 THR 74 4.343 2.003 4.888 575 3HG2 THR 74 3HG2 THR 74 4.117 1.230 6.457 576 H THR 75 HN THR 75 3.920 4.915 8.788 577 HA THR 75 HA THR 75 4.784 7.087 7.026 578 HB THR 75 HB THR 75 5.587 6.291 9.843 579 HG1 THR 75 HG1 THR 75 4.068 7.632 10.408 580 1HG2 THR 75 1HG2 THR 75 6.586 8.648 9.835 581 2HG2 THR 75 2HG2 THR 75 6.473 8.575 8.076 582 3HG2 THR 75 3HG2 THR 75 7.482 7.417 8.944 583 H PHE 76 HN PHE 76 5.739 5.672 5.394 584 HA PHE 76 HA PHE 76 7.646 3.743 5.538 585 1HB PHE 76 HB2 PHE 76 7.356 6.105 3.723 586 2HB PHE 76 HB1 PHE 76 8.800 5.102 3.573 587 HD1 PHE 76 HD1 PHE 76 5.080 4.641 4.017 588 HD2 PHE 76 HD2 PHE 76 8.689 3.311 2.102 589 HE1 PHE 76 HE1 PHE 76 3.794 2.931 2.770 590 HE2 PHE 76 HE2 PHE 76 7.399 1.603 0.855 591 HZ PHE 76 HZ PHE 76 4.953 1.417 1.188 592 HA PRO 77 HA PRO 77 11.026 5.316 7.839 593 1HB PRO 77 HB2 PRO 77 12.934 3.528 6.985 594 2HB PRO 77 HB1 PRO 77 11.662 3.128 8.151 595 1HG PRO 77 HG2 PRO 77 11.876 2.370 5.273 596 2HG PRO 77 HG1 PRO 77 11.061 1.524 6.599 597 1HD PRO 77 HD2 PRO 77 9.790 3.101 4.635 598 2HD PRO 77 HD1 PRO 77 9.064 2.569 6.168 599 H ALA 78 HN ALA 78 13.328 6.103 7.494 600 HA ALA 78 HA ALA 78 13.446 7.668 5.011 601 1HB ALA 78 HB1 ALA 78 14.349 9.086 6.527 602 2HB ALA 78 HB2 ALA 78 15.813 8.111 6.399 603 3HB ALA 78 HB3 ALA 78 14.644 7.783 7.678 604 H ASP 79 HN ASP 79 14.066 4.581 5.451 605 HA ASP 79 HA ASP 79 16.757 4.564 4.183 606 1HB ASP 79 HB2 ASP 79 15.659 2.951 6.139 607 2HB ASP 79 HB1 ASP 79 15.470 1.972 4.684 608 H ALA 80 HN ALA 80 13.385 4.019 3.520 609 HA ALA 80 HA ALA 80 13.206 2.330 1.384 610 1HB ALA 80 HB1 ALA 80 11.226 3.354 1.034 611 2HB ALA 80 HB2 ALA 80 12.011 4.881 0.633 612 3HB ALA 80 HB3 ALA 80 11.684 4.474 2.317 613 HA PRO 81 HA PRO 81 16.476 4.248 -1.115 614 1HB PRO 81 HB2 PRO 81 17.259 1.873 -2.258 615 2HB PRO 81 HB1 PRO 81 17.851 2.448 -0.689 616 1HG PRO 81 HG2 PRO 81 15.889 0.282 -1.273 617 2HG PRO 81 HG1 PRO 81 16.946 0.490 0.133 618 1HD PRO 81 HD2 PRO 81 14.175 1.080 0.026 619 2HD PRO 81 HD1 PRO 81 15.299 1.553 1.314 620 H ALA 82 HN ALA 82 16.930 3.681 -3.635 621 HA ALA 82 HA ALA 82 14.460 4.252 -5.024 622 1HB ALA 82 HB1 ALA 82 17.320 3.906 -5.750 623 2HB ALA 82 HB2 ALA 82 16.179 5.159 -6.239 624 3HB ALA 82 HB3 ALA 82 16.151 3.583 -7.032 625 H GLY 83 HN GLY 83 13.009 2.806 -5.813 626 1HA GLY 83 HA2 GLY 83 13.497 0.410 -7.141 627 2HA GLY 83 HA1 GLY 83 13.410 -0.039 -5.436 628 H GLU 84 HN GLU 84 11.529 -0.578 -7.738 629 HA GLU 84 HA GLU 84 9.127 0.959 -7.033 630 1HB GLU 84 HB2 GLU 84 9.916 -0.968 -9.136 631 2HB GLU 84 HB1 GLU 84 8.227 -1.056 -8.635 632 1HG GLU 84 HG2 GLU 84 8.070 1.433 -8.958 633 2HG GLU 84 HG1 GLU 84 9.700 1.397 -9.634 634 H TYR 85 HN TYR 85 7.958 0.406 -5.272 635 HA TYR 85 HA TYR 85 8.127 -2.355 -4.204 636 1HB TYR 85 HB2 TYR 85 6.726 0.102 -3.098 637 2HB TYR 85 HB1 TYR 85 6.945 -1.431 -2.255 638 HD1 TYR 85 HD1 TYR 85 8.878 1.294 -3.944 639 HD2 TYR 85 HD2 TYR 85 8.880 -1.806 -0.974 640 HE1 TYR 85 HE1 TYR 85 11.114 2.033 -3.182 641 HE2 TYR 85 HE2 TYR 85 11.121 -1.066 -0.209 642 HH TYR 85 HH TYR 85 12.797 1.656 -1.797 643 H THR 86 HN THR 86 6.139 -3.603 -3.855 644 HA THR 86 HA THR 86 3.779 -2.561 -5.338 645 HB THR 86 HB THR 86 4.871 -5.359 -5.721 646 HG1 THR 86 HG1 THR 86 6.137 -4.443 -7.095 647 1HG2 THR 86 1HG2 THR 86 2.356 -4.823 -5.962 648 2HG2 THR 86 2HG2 THR 86 3.147 -5.631 -7.316 649 3HG2 THR 86 3HG2 THR 86 2.826 -3.898 -7.387 650 H PHE 87 HN PHE 87 2.160 -2.587 -3.899 651 HA PHE 87 HA PHE 87 2.023 -4.835 -1.980 652 1HB PHE 87 HB2 PHE 87 0.225 -3.132 -0.957 653 2HB PHE 87 HB1 PHE 87 1.938 -3.048 -0.553 654 HD1 PHE 87 HD1 PHE 87 -0.817 -1.479 -2.377 655 HD2 PHE 87 HD2 PHE 87 3.410 -1.405 -1.642 656 HE1 PHE 87 HE1 PHE 87 -0.684 0.781 -3.372 657 HE2 PHE 87 HE2 PHE 87 3.549 0.852 -2.636 658 HZ PHE 87 HZ PHE 87 1.500 1.958 -3.503 659 H TYR 88 HN TYR 88 -0.112 -5.808 -1.650 660 HA TYR 88 HA TYR 88 -2.100 -5.188 -3.751 661 1HB TYR 88 HB2 TYR 88 -2.273 -7.563 -4.381 662 2HB TYR 88 HB1 TYR 88 -0.635 -6.969 -4.656 663 HD1 TYR 88 HD1 TYR 88 -2.519 -9.569 -3.209 664 HD2 TYR 88 HD2 TYR 88 0.972 -7.159 -2.538 665 HE1 TYR 88 HE1 TYR 88 -1.625 -11.291 -1.666 666 HE2 TYR 88 HE2 TYR 88 1.867 -8.881 -0.997 667 HH TYR 88 HH TYR 88 1.618 -11.001 -0.269 668 H CYS 89 HN CYS 89 -3.674 -7.539 -3.194 669 HA CYS 89 HA CYS 89 -4.364 -7.154 -0.319 670 1HB CYS 89 HB2 CYS 89 -5.817 -5.990 -2.286 671 2HB CYS 89 HB1 CYS 89 -6.602 -7.568 -2.223 672 H GLU 90 HN GLU 90 -4.961 -9.042 0.720 673 HA GLU 90 HA GLU 90 -4.456 -11.542 -0.691 674 1HB GLU 90 HB2 GLU 90 -3.754 -11.168 1.666 675 2HB GLU 90 HB1 GLU 90 -5.451 -11.116 2.138 676 1HG GLU 90 HG2 GLU 90 -5.737 -13.407 1.159 677 2HG GLU 90 HG1 GLU 90 -3.997 -13.453 0.871 678 HA PRO 91 HA PRO 91 -9.131 -12.146 0.133 679 1HB PRO 91 HB2 PRO 91 -10.614 -9.890 0.659 680 2HB PRO 91 HB1 PRO 91 -9.894 -10.912 1.914 681 1HG PRO 91 HG2 PRO 91 -9.026 -8.227 0.957 682 2HG PRO 91 HG1 PRO 91 -8.775 -8.992 2.534 683 1HD PRO 91 HD2 PRO 91 -6.860 -8.778 0.467 684 2HD PRO 91 HD1 PRO 91 -6.728 -9.808 1.906 685 H HIS 92 HN HIS 92 -8.538 -8.892 -1.274 686 HA HIS 92 HA HIS 92 -10.282 -9.659 -3.569 687 1HB HIS 92 HB2 HIS 92 -9.079 -6.942 -3.041 688 2HB HIS 92 HB1 HIS 92 -10.458 -7.331 -4.066 689 HD2 HIS 92 HD2 HIS 92 -12.914 -7.368 -2.719 690 HE1 HIS 92 HE1 HIS 92 -11.398 -7.026 1.187 691 HE2 HIS 92 HE2 HIS 92 -13.500 -7.101 -0.205 692 H ARG 93 HN ARG 93 -7.563 -10.745 -3.233 693 HA ARG 93 HA ARG 93 -5.562 -9.451 -4.706 694 1HB ARG 93 HB2 ARG 93 -5.141 -11.574 -3.583 695 2HB ARG 93 HB1 ARG 93 -6.252 -12.404 -4.674 696 1HG ARG 93 HG2 ARG 93 -4.825 -12.062 -6.553 697 2HG ARG 93 HG1 ARG 93 -3.843 -10.882 -5.685 698 1HD ARG 93 HD2 ARG 93 -3.485 -12.940 -4.028 699 2HD ARG 93 HD1 ARG 93 -3.841 -13.864 -5.487 700 HE ARG 93 HE ARG 93 -1.375 -12.523 -4.962 701 1HH1 ARG 93 HH11 ARG 93 -3.593 -13.517 -7.383 702 2HH1 ARG 93 HH12 ARG 93 -2.549 -13.112 -8.705 703 1HH2 ARG 93 HH21 ARG 93 -0.068 -11.779 -6.680 704 2HH2 ARG 93 HH22 ARG 93 -0.551 -12.128 -8.306 705 H GLY 94 HN GLY 94 -8.366 -11.255 -5.907 706 1HA GLY 94 HA2 GLY 94 -7.508 -10.730 -8.702 707 2HA GLY 94 HA1 GLY 94 -8.840 -11.782 -8.218 708 H ALA 95 HN ALA 95 -8.222 -8.450 -7.147 709 HA ALA 95 HA ALA 95 -10.669 -7.611 -8.630 710 1HB ALA 95 HB1 ALA 95 -11.792 -7.161 -6.731 711 2HB ALA 95 HB2 ALA 95 -10.444 -6.204 -6.116 712 3HB ALA 95 HB3 ALA 95 -10.493 -7.944 -5.831 713 H GLY 96 HN GLY 96 -7.849 -7.218 -9.219 714 1HA GLY 96 HA2 GLY 96 -6.421 -5.491 -9.906 715 2HA GLY 96 HA1 GLY 96 -7.864 -4.480 -9.943 716 H MET 97 HN MET 97 -6.943 -5.997 -6.936 717 HA MET 97 HA MET 97 -6.512 -3.318 -5.775 718 1HB MET 97 HB2 MET 97 -6.459 -6.039 -4.431 719 2HB MET 97 HB1 MET 97 -6.508 -4.475 -3.619 720 1HG MET 97 HG2 MET 97 -8.646 -4.339 -5.381 721 2HG MET 97 HG1 MET 97 -8.689 -6.011 -4.823 722 1HE MET 97 HE1 MET 97 -8.446 -2.486 -4.218 723 2HE MET 97 HE2 MET 97 -7.815 -2.468 -2.573 724 3HE MET 97 HE3 MET 97 -9.520 -2.127 -2.860 725 H VAL 98 HN VAL 98 -4.475 -3.159 -7.179 726 HA VAL 98 HA VAL 98 -2.173 -4.188 -5.588 727 HB VAL 98 HB VAL 98 -2.408 -4.254 -8.613 728 1HG1 VAL 98 1HG1 VAL 98 -0.149 -5.679 -7.747 729 2HG1 VAL 98 2HG1 VAL 98 -0.121 -4.174 -6.827 730 3HG1 VAL 98 3HG1 VAL 98 -0.159 -4.130 -8.589 731 1HG2 VAL 98 1HG2 VAL 98 -3.528 -6.053 -7.042 732 2HG2 VAL 98 2HG2 VAL 98 -1.871 -6.621 -6.841 733 3HG2 VAL 98 3HG2 VAL 98 -2.599 -6.575 -8.447 734 H GLY 99 HN GLY 99 -0.797 -2.535 -5.096 735 1HA GLY 99 HA2 GLY 99 -0.874 -0.115 -6.827 736 2HA GLY 99 HA1 GLY 99 -0.775 0.002 -5.073 737 H LYS 100 HN LYS 100 1.254 1.291 -5.959 738 HA LYS 100 HA LYS 100 3.576 -0.408 -5.454 739 1HB LYS 100 HB2 LYS 100 3.084 0.774 -8.196 740 2HB LYS 100 HB1 LYS 100 4.689 0.305 -7.639 741 1HG LYS 100 HG2 LYS 100 3.472 -1.964 -7.039 742 2HG LYS 100 HG1 LYS 100 2.319 -1.420 -8.256 743 1HD LYS 100 HD2 LYS 100 4.615 -0.922 -9.580 744 2HD LYS 100 HD1 LYS 100 5.150 -2.270 -8.574 745 1HE LYS 100 HE2 LYS 100 3.649 -3.763 -9.537 746 2HE LYS 100 HE1 LYS 100 2.531 -2.487 -10.016 747 1HZ LYS 100 HZ1 LYS 100 4.037 -3.632 -11.775 748 2HZ LYS 100 HZ2 LYS 100 5.219 -2.556 -11.197 749 3HZ LYS 100 HZ3 LYS 100 3.768 -1.959 -11.850 750 H ILE 101 HN ILE 101 4.878 0.858 -4.202 751 HA ILE 101 HA ILE 101 4.590 3.796 -4.346 752 HB ILE 101 HB ILE 101 5.396 1.876 -2.318 753 1HG1 ILE 101 2HG1 ILE 101 4.605 4.785 -2.441 754 2HG1 ILE 101 1HG1 ILE 101 3.692 3.423 -1.800 755 1HG2 ILE 101 1HG2 ILE 101 7.274 4.223 -2.744 756 2HG2 ILE 101 2HG2 ILE 101 7.702 2.519 -2.874 757 3HG2 ILE 101 3HG2 ILE 101 7.245 3.195 -1.311 758 1HD1 ILE 101 HD11 ILE 101 6.066 3.468 -0.291 759 2HD1 ILE 101 HD12 ILE 101 4.468 3.980 0.246 760 3HD1 ILE 101 HD13 ILE 101 5.585 5.159 -0.436 761 H THR 102 HN THR 102 5.912 4.960 -5.673 762 HA THR 102 HA THR 102 8.408 3.653 -6.638 763 HB THR 102 HB THR 102 7.715 6.237 -7.834 764 HG1 THR 102 HG1 THR 102 5.621 5.556 -7.425 765 1HG2 THR 102 1HG2 THR 102 7.590 4.129 -9.699 766 2HG2 THR 102 2HG2 THR 102 8.829 3.661 -8.534 767 3HG2 THR 102 3HG2 THR 102 8.959 5.197 -9.392 768 H VAL 103 HN VAL 103 9.968 4.095 -5.104 769 HA VAL 103 HA VAL 103 10.200 6.886 -4.100 770 HB VAL 103 HB VAL 103 11.915 4.581 -3.194 771 1HG1 VAL 103 1HG1 VAL 103 10.840 6.452 -1.229 772 2HG1 VAL 103 2HG1 VAL 103 11.722 7.278 -2.513 773 3HG1 VAL 103 3HG1 VAL 103 12.518 6.024 -1.563 774 1HG2 VAL 103 1HG2 VAL 103 10.100 4.298 -1.385 775 2HG2 VAL 103 2HG2 VAL 103 9.748 3.620 -2.975 776 3HG2 VAL 103 3HG2 VAL 103 9.032 5.157 -2.493 777 H ALA 104 HN ALA 104 11.544 8.182 -5.260 778 HA ALA 104 HA ALA 104 13.380 7.205 -7.231 779 1HB ALA 104 HB1 ALA 104 12.315 9.648 -6.669 780 2HB ALA 104 HB2 ALA 104 13.703 9.409 -7.731 781 3HB ALA 104 HB3 ALA 104 13.951 9.856 -6.043 782 H GLY 105 HN GLY 105 15.803 8.343 -6.905 783 1HA GLY 105 HA2 GLY 105 17.036 8.235 -4.369 784 2HA GLY 105 HA1 GLY 105 17.119 6.606 -5.042 Start of MODEL 6 1 1H GLU 1 HT1 GLU 1 3.012 15.852 7.144 2 2H GLU 1 HT2 GLU 1 1.835 14.651 6.908 3 3H GLU 1 HT3 GLU 1 1.456 16.283 6.626 4 HA GLU 1 HA GLU 1 1.982 15.995 4.508 5 1HB GLU 1 HB2 GLU 1 4.282 16.642 5.766 6 2HB GLU 1 HB1 GLU 1 4.754 15.084 5.086 7 1HG GLU 1 HG2 GLU 1 4.902 15.954 3.014 8 2HG GLU 1 HG1 GLU 1 3.283 16.646 3.137 9 H THR 2 HN THR 2 0.579 13.989 4.629 10 HA THR 2 HA THR 2 2.223 11.590 3.936 11 HB THR 2 HB THR 2 1.349 10.817 5.926 12 HG1 THR 2 HG1 THR 2 0.444 9.462 4.439 13 1HG2 THR 2 1HG2 THR 2 -0.964 12.694 5.401 14 2HG2 THR 2 2HG2 THR 2 0.256 12.810 6.669 15 3HG2 THR 2 3HG2 THR 2 -0.960 11.534 6.730 16 H TYR 3 HN TYR 3 1.486 10.403 2.159 17 HA TYR 3 HA TYR 3 -0.377 11.791 0.379 18 1HB TYR 3 HB2 TYR 3 0.810 9.042 -0.048 19 2HB TYR 3 HB1 TYR 3 0.274 10.197 -1.268 20 HD1 TYR 3 HD1 TYR 3 3.047 9.048 0.709 21 HD2 TYR 3 HD2 TYR 3 1.509 12.450 -1.415 22 HE1 TYR 3 HE1 TYR 3 5.324 10.027 0.628 23 HE2 TYR 3 HE2 TYR 3 3.786 13.430 -1.495 24 HH TYR 3 HH TYR 3 6.307 12.230 -1.375 25 H THR 4 HN THR 4 -2.078 10.279 -0.765 26 HA THR 4 HA THR 4 -3.250 8.250 1.010 27 HB THR 4 HB THR 4 -5.179 10.385 0.284 28 HG1 THR 4 HG1 THR 4 -3.480 11.633 1.030 29 1HG2 THR 4 1HG2 THR 4 -4.665 8.804 2.818 30 2HG2 THR 4 2HG2 THR 4 -5.796 8.343 1.546 31 3HG2 THR 4 3HG2 THR 4 -6.079 9.805 2.490 32 H VAL 5 HN VAL 5 -3.674 6.674 -0.466 33 HA VAL 5 HA VAL 5 -4.625 7.481 -3.172 34 HB VAL 5 HB VAL 5 -4.244 4.890 -3.526 35 1HG1 VAL 5 1HG1 VAL 5 -1.585 5.962 -3.295 36 2HG1 VAL 5 2HG1 VAL 5 -2.672 7.228 -3.868 37 3HG1 VAL 5 3HG1 VAL 5 -2.546 5.707 -4.752 38 1HG2 VAL 5 1HG2 VAL 5 -2.153 5.310 -1.420 39 2HG2 VAL 5 2HG2 VAL 5 -2.850 3.804 -2.019 40 3HG2 VAL 5 3HG2 VAL 5 -3.771 4.824 -0.914 41 H LYS 6 HN LYS 6 -6.813 7.509 -3.351 42 HA LYS 6 HA LYS 6 -8.485 5.953 -1.513 43 1HB LYS 6 HB2 LYS 6 -9.524 7.402 -3.939 44 2HB LYS 6 HB1 LYS 6 -10.305 7.159 -2.377 45 1HG LYS 6 HG2 LYS 6 -8.615 8.656 -1.330 46 2HG LYS 6 HG1 LYS 6 -7.919 8.950 -2.924 47 1HD LYS 6 HD2 LYS 6 -10.450 9.539 -3.521 48 2HD LYS 6 HD1 LYS 6 -10.522 9.882 -1.792 49 1HE LYS 6 HE2 LYS 6 -9.537 11.866 -2.175 50 2HE LYS 6 HE1 LYS 6 -8.102 11.013 -2.747 51 1HZ LYS 6 HZ1 LYS 6 -10.427 11.930 -4.336 52 2HZ LYS 6 HZ2 LYS 6 -9.287 10.821 -4.935 53 3HZ LYS 6 HZ3 LYS 6 -8.804 12.392 -4.502 54 H LEU 7 HN LEU 7 -8.578 3.779 -1.938 55 HA LEU 7 HA LEU 7 -8.561 2.837 -4.732 56 1HB LEU 7 HB2 LEU 7 -8.838 0.566 -3.440 57 2HB LEU 7 HB1 LEU 7 -7.281 1.381 -3.440 58 HG LEU 7 HG LEU 7 -9.177 2.163 -1.293 59 1HD1 LEU 7 HD11 LEU 7 -9.525 0.078 -0.521 60 2HD1 LEU 7 HD12 LEU 7 -7.783 -0.089 -0.301 61 3HD1 LEU 7 HD13 LEU 7 -8.535 -0.602 -1.811 62 1HD2 LEU 7 HD21 LEU 7 -6.218 1.492 -1.423 63 2HD2 LEU 7 HD22 LEU 7 -7.047 2.103 0.008 64 3HD2 LEU 7 HD23 LEU 7 -6.916 3.110 -1.434 65 H GLY 8 HN GLY 8 -10.259 0.668 -4.665 66 1HA GLY 8 HA2 GLY 8 -12.529 0.083 -4.841 67 2HA GLY 8 HA1 GLY 8 -12.836 1.209 -3.518 68 H SER 9 HN SER 9 -12.196 1.141 -7.030 69 HA SER 9 HA SER 9 -12.909 3.835 -7.572 70 1HB SER 9 HB2 SER 9 -13.645 2.732 -9.862 71 2HB SER 9 HB1 SER 9 -11.944 2.785 -9.405 72 HG SER 9 HG SER 9 -12.409 0.695 -9.978 73 H ASP 10 HN ASP 10 -14.921 4.744 -8.294 74 HA ASP 10 HA ASP 10 -17.270 3.453 -7.053 75 1HB ASP 10 HB2 ASP 10 -16.484 6.059 -7.174 76 2HB ASP 10 HB1 ASP 10 -17.609 5.997 -8.531 77 H LYS 11 HN LYS 11 -15.795 3.244 -10.009 78 HA LYS 11 HA LYS 11 -18.416 2.728 -11.359 79 1HB LYS 11 HB2 LYS 11 -16.664 4.677 -12.116 80 2HB LYS 11 HB1 LYS 11 -16.085 3.319 -13.082 81 1HG LYS 11 HG2 LYS 11 -17.838 4.640 -14.262 82 2HG LYS 11 HG1 LYS 11 -18.325 2.966 -13.994 83 1HD LYS 11 HD2 LYS 11 -20.021 3.562 -12.611 84 2HD LYS 11 HD1 LYS 11 -19.030 4.758 -11.775 85 1HE LYS 11 HE2 LYS 11 -19.312 5.967 -14.192 86 2HE LYS 11 HE1 LYS 11 -20.843 5.097 -14.093 87 1HZ LYS 11 HZ1 LYS 11 -20.179 6.325 -11.614 88 2HZ LYS 11 HZ2 LYS 11 -21.580 6.497 -12.560 89 3HZ LYS 11 HZ3 LYS 11 -20.222 7.471 -12.864 90 H GLY 12 HN GLY 12 -15.724 1.294 -10.097 91 1HA GLY 12 HA2 GLY 12 -15.996 -1.005 -11.985 92 2HA GLY 12 HA1 GLY 12 -14.403 -0.478 -11.438 93 H LEU 13 HN LEU 13 -13.643 -1.302 -9.534 94 HA LEU 13 HA LEU 13 -15.553 -2.394 -7.554 95 1HB LEU 13 HB2 LEU 13 -13.615 -4.017 -9.173 96 2HB LEU 13 HB1 LEU 13 -13.941 -4.484 -7.503 97 HG LEU 13 HG LEU 13 -16.464 -3.933 -8.592 98 1HD1 LEU 13 HD11 LEU 13 -15.794 -5.953 -10.466 99 2HD1 LEU 13 HD12 LEU 13 -14.620 -4.655 -10.685 100 3HD1 LEU 13 HD13 LEU 13 -16.346 -4.314 -10.807 101 1HD2 LEU 13 HD21 LEU 13 -16.597 -5.767 -7.264 102 2HD2 LEU 13 HD22 LEU 13 -14.918 -6.210 -7.570 103 3HD2 LEU 13 HD23 LEU 13 -16.178 -6.686 -8.710 104 H LEU 14 HN LEU 14 -12.175 -3.320 -7.721 105 HA LEU 14 HA LEU 14 -11.530 -1.276 -5.645 106 1HB LEU 14 HB2 LEU 14 -10.749 -4.205 -5.529 107 2HB LEU 14 HB1 LEU 14 -10.333 -2.967 -4.343 108 HG LEU 14 HG LEU 14 -13.168 -3.755 -5.069 109 1HD1 LEU 14 HD11 LEU 14 -11.214 -4.852 -3.147 110 2HD1 LEU 14 HD12 LEU 14 -12.678 -5.582 -3.804 111 3HD1 LEU 14 HD13 LEU 14 -12.785 -4.460 -2.448 112 1HD2 LEU 14 HD21 LEU 14 -11.937 -1.603 -3.501 113 2HD2 LEU 14 HD22 LEU 14 -13.124 -2.528 -2.580 114 3HD2 LEU 14 HD23 LEU 14 -13.592 -1.752 -4.094 115 H VAL 15 HN VAL 15 -10.032 -0.048 -6.694 116 HA VAL 15 HA VAL 15 -7.588 -1.397 -7.674 117 HB VAL 15 HB VAL 15 -7.770 0.281 -9.712 118 1HG1 VAL 15 1HG1 VAL 15 -9.149 -2.387 -9.388 119 2HG1 VAL 15 2HG1 VAL 15 -7.593 -2.046 -10.143 120 3HG1 VAL 15 3HG1 VAL 15 -9.087 -1.563 -10.946 121 1HG2 VAL 15 1HG2 VAL 15 -9.840 1.358 -8.984 122 2HG2 VAL 15 2HG2 VAL 15 -10.659 -0.202 -8.917 123 3HG2 VAL 15 3HG2 VAL 15 -10.145 0.459 -10.470 124 H PHE 16 HN PHE 16 -5.992 -0.331 -6.598 125 HA PHE 16 HA PHE 16 -6.183 2.029 -5.151 126 1HB PHE 16 HB2 PHE 16 -3.862 0.789 -6.622 127 2HB PHE 16 HB1 PHE 16 -3.662 2.302 -5.742 128 HD1 PHE 16 HD1 PHE 16 -3.740 -1.264 -5.480 129 HD2 PHE 16 HD2 PHE 16 -4.479 2.349 -3.276 130 HE1 PHE 16 HE1 PHE 16 -3.535 -2.521 -3.351 131 HE2 PHE 16 HE2 PHE 16 -4.275 1.092 -1.150 132 HZ PHE 16 HZ PHE 16 -3.802 -1.341 -1.185 133 H GLU 17 HN GLU 17 -5.714 4.257 -5.623 134 HA GLU 17 HA GLU 17 -5.470 4.986 -8.486 135 1HB GLU 17 HB2 GLU 17 -7.772 5.673 -6.677 136 2HB GLU 17 HB1 GLU 17 -7.309 6.771 -7.977 137 1HG GLU 17 HG2 GLU 17 -8.134 5.400 -9.582 138 2HG GLU 17 HG1 GLU 17 -7.453 3.962 -8.821 139 HA PRO 18 HA PRO 18 -4.345 5.967 -9.558 140 1HB PRO 18 HB2 PRO 18 -1.669 6.453 -9.937 141 2HB PRO 18 HB1 PRO 18 -2.931 7.659 -10.224 142 1HG PRO 18 HG2 PRO 18 -0.989 7.455 -7.972 143 2HG PRO 18 HG1 PRO 18 -1.787 8.888 -8.640 144 1HD PRO 18 HD2 PRO 18 -2.520 7.555 -6.269 145 2HD PRO 18 HD1 PRO 18 -3.508 8.744 -7.142 146 H ALA 19 HN ALA 19 -2.658 4.297 -10.519 147 HA ALA 19 HA ALA 19 -2.441 2.122 -8.599 148 1HB ALA 19 HB1 ALA 19 -1.335 0.971 -10.626 149 2HB ALA 19 HB2 ALA 19 -1.756 2.430 -11.522 150 3HB ALA 19 HB3 ALA 19 -3.025 1.446 -10.795 151 H LYS 20 HN LYS 20 -0.532 4.769 -9.174 152 HA LYS 20 HA LYS 20 1.874 3.329 -8.147 153 1HB LYS 20 HB2 LYS 20 3.235 4.984 -9.544 154 2HB LYS 20 HB1 LYS 20 2.405 3.715 -10.445 155 1HG LYS 20 HG2 LYS 20 0.869 6.217 -9.972 156 2HG LYS 20 HG1 LYS 20 2.216 6.324 -11.106 157 1HD LYS 20 HD2 LYS 20 0.500 3.941 -11.442 158 2HD LYS 20 HD1 LYS 20 -0.288 5.479 -11.794 159 1HE LYS 20 HE2 LYS 20 0.664 5.077 -13.856 160 2HE LYS 20 HE1 LYS 20 2.002 5.932 -13.089 161 1HZ LYS 20 HZ1 LYS 20 3.249 4.108 -13.103 162 2HZ LYS 20 HZ2 LYS 20 2.107 3.435 -14.167 163 3HZ LYS 20 HZ3 LYS 20 2.000 3.133 -12.498 164 H LEU 21 HN LEU 21 3.371 4.836 -6.974 165 HA LEU 21 HA LEU 21 2.284 7.464 -6.239 166 1HB LEU 21 HB2 LEU 21 1.261 5.475 -4.778 167 2HB LEU 21 HB1 LEU 21 2.785 5.662 -3.909 168 HG LEU 21 HG LEU 21 2.037 8.270 -4.202 169 1HD1 LEU 21 HD11 LEU 21 -0.513 7.685 -3.216 170 2HD1 LEU 21 HD12 LEU 21 -0.333 6.626 -4.616 171 3HD1 LEU 21 HD13 LEU 21 -0.138 8.370 -4.797 172 1HD2 LEU 21 HD21 LEU 21 1.124 6.439 -1.962 173 2HD2 LEU 21 HD22 LEU 21 1.441 8.170 -1.845 174 3HD2 LEU 21 HD23 LEU 21 2.770 7.047 -2.135 175 H THR 22 HN THR 22 4.070 8.729 -6.250 176 HA THR 22 HA THR 22 6.711 7.530 -5.675 177 HB THR 22 HB THR 22 5.968 10.338 -6.556 178 HG1 THR 22 HG1 THR 22 6.987 8.109 -7.984 179 1HG2 THR 22 1HG2 THR 22 8.139 10.177 -5.361 180 2HG2 THR 22 2HG2 THR 22 8.352 10.565 -7.068 181 3HG2 THR 22 3HG2 THR 22 8.649 8.924 -6.493 182 H ILE 23 HN ILE 23 6.912 7.301 -3.469 183 HA ILE 23 HA ILE 23 6.170 9.588 -1.741 184 HB ILE 23 HB ILE 23 6.554 7.909 0.111 185 1HG1 ILE 23 2HG1 ILE 23 6.303 5.593 -1.602 186 2HG1 ILE 23 1HG1 ILE 23 7.757 6.494 -2.024 187 1HG2 ILE 23 1HG2 ILE 23 4.308 7.917 -0.208 188 2HG2 ILE 23 2HG2 ILE 23 4.570 6.386 -1.043 189 3HG2 ILE 23 3HG2 ILE 23 4.470 7.887 -1.964 190 1HD1 ILE 23 HD11 ILE 23 7.082 5.852 0.847 191 2HD1 ILE 23 HD12 ILE 23 8.641 6.318 0.167 192 3HD1 ILE 23 HD13 ILE 23 7.976 4.719 -0.166 193 H LYS 24 HN LYS 24 7.790 9.368 0.361 194 HA LYS 24 HA LYS 24 10.525 9.760 -0.777 195 1HB LYS 24 HB2 LYS 24 8.890 11.303 1.106 196 2HB LYS 24 HB1 LYS 24 10.493 10.941 1.747 197 1HG LYS 24 HG2 LYS 24 11.499 12.364 0.305 198 2HG LYS 24 HG1 LYS 24 10.569 11.754 -1.064 199 1HD LYS 24 HD2 LYS 24 9.484 13.739 -1.017 200 2HD LYS 24 HD1 LYS 24 8.667 13.121 0.419 201 1HE LYS 24 HE2 LYS 24 11.372 14.369 0.739 202 2HE LYS 24 HE1 LYS 24 9.978 15.424 0.505 203 1HZ LYS 24 HZ1 LYS 24 10.592 14.781 2.875 204 2HZ LYS 24 HZ2 LYS 24 9.945 13.253 2.509 205 3HZ LYS 24 HZ3 LYS 24 8.963 14.637 2.427 206 HA PRO 25 HA PRO 25 12.024 6.631 1.913 207 1HB PRO 25 HB2 PRO 25 14.342 7.726 2.911 208 2HB PRO 25 HB1 PRO 25 14.168 7.143 1.246 209 1HG PRO 25 HG2 PRO 25 14.250 9.948 2.254 210 2HG PRO 25 HG1 PRO 25 14.691 9.315 0.659 211 1HD PRO 25 HD2 PRO 25 12.282 10.659 1.303 212 2HD PRO 25 HD1 PRO 25 12.602 9.741 -0.185 213 H GLY 26 HN GLY 26 10.156 7.000 3.473 214 1HA GLY 26 HA2 GLY 26 10.362 6.710 6.031 215 2HA GLY 26 HA1 GLY 26 11.084 8.319 5.994 216 H ASP 27 HN ASP 27 9.161 9.076 3.768 217 HA ASP 27 HA ASP 27 7.225 10.420 5.285 218 1HB ASP 27 HB2 ASP 27 7.413 9.577 2.425 219 2HB ASP 27 HB1 ASP 27 5.853 10.158 3.010 220 H THR 28 HN THR 28 4.702 9.880 4.705 221 HA THR 28 HA THR 28 4.286 7.040 5.493 222 HB THR 28 HB THR 28 2.683 9.459 6.371 223 HG1 THR 28 HG1 THR 28 4.708 7.908 7.539 224 1HG2 THR 28 1HG2 THR 28 2.302 6.515 6.592 225 2HG2 THR 28 2HG2 THR 28 1.099 7.802 6.502 226 3HG2 THR 28 3HG2 THR 28 1.929 7.476 8.023 227 H VAL 29 HN VAL 29 2.500 5.991 4.518 228 HA VAL 29 HA VAL 29 1.093 7.552 2.415 229 HB VAL 29 HB VAL 29 1.744 4.635 2.075 230 1HG1 VAL 29 1HG1 VAL 29 0.107 6.037 0.621 231 2HG1 VAL 29 2HG1 VAL 29 1.314 5.054 -0.206 232 3HG1 VAL 29 3HG1 VAL 29 1.564 6.790 -0.027 233 1HG2 VAL 29 1HG2 VAL 29 3.592 6.130 0.565 234 2HG2 VAL 29 2HG2 VAL 29 3.946 5.112 1.962 235 3HG2 VAL 29 3HG2 VAL 29 3.632 6.834 2.182 236 H GLU 30 HN GLU 30 -1.124 7.152 2.261 237 HA GLU 30 HA GLU 30 -2.217 5.320 4.325 238 1HB GLU 30 HB2 GLU 30 -2.930 7.987 3.446 239 2HB GLU 30 HB1 GLU 30 -4.309 6.895 3.313 240 1HG GLU 30 HG2 GLU 30 -4.003 6.191 5.647 241 2HG GLU 30 HG1 GLU 30 -2.591 7.238 5.789 242 H PHE 31 HN PHE 31 -4.070 4.015 3.746 243 HA PHE 31 HA PHE 31 -4.752 3.714 0.895 244 1HB PHE 31 HB2 PHE 31 -4.037 1.114 2.091 245 2HB PHE 31 HB1 PHE 31 -3.662 1.748 0.490 246 HD1 PHE 31 HD1 PHE 31 -1.533 2.775 0.022 247 HD2 PHE 31 HD2 PHE 31 -2.626 1.808 4.066 248 HE1 PHE 31 HE1 PHE 31 0.775 3.270 0.770 249 HE2 PHE 31 HE2 PHE 31 -0.318 2.303 4.807 250 HZ PHE 31 HZ PHE 31 1.381 3.036 3.163 251 H LEU 32 HN LEU 32 -6.821 4.362 1.805 252 HA LEU 32 HA LEU 32 -8.031 2.542 3.779 253 1HB LEU 32 HB2 LEU 32 -9.559 4.236 4.242 254 2HB LEU 32 HB1 LEU 32 -8.111 5.140 3.818 255 HG LEU 32 HG LEU 32 -10.347 4.484 1.876 256 1HD1 LEU 32 HD11 LEU 32 -11.143 6.702 2.175 257 2HD1 LEU 32 HD12 LEU 32 -9.696 7.186 3.060 258 3HD1 LEU 32 HD13 LEU 32 -10.867 6.104 3.811 259 1HD2 LEU 32 HD21 LEU 32 -7.754 6.007 1.722 260 2HD2 LEU 32 HD22 LEU 32 -9.104 6.457 0.679 261 3HD2 LEU 32 HD23 LEU 32 -8.418 4.835 0.583 262 H ASN 33 HN ASN 33 -10.318 1.901 3.474 263 HA ASN 33 HA ASN 33 -10.671 0.698 0.815 264 1HB ASN 33 HB2 ASN 33 -12.209 -0.741 1.861 265 2HB ASN 33 HB1 ASN 33 -11.024 -0.413 3.125 266 1HD2 ASN 33 HD21 ASN 33 -12.046 -0.250 5.029 267 2HD2 ASN 33 HD22 ASN 33 -13.469 0.624 5.318 268 H ASN 34 HN ASN 34 -12.670 0.967 -0.419 269 HA ASN 34 HA ASN 34 -13.772 3.703 -0.123 270 1HB ASN 34 HB2 ASN 34 -13.005 2.945 -2.361 271 2HB ASN 34 HB1 ASN 34 -14.208 1.656 -2.321 272 1HD2 ASN 34 HD21 ASN 34 -15.326 2.619 -4.199 273 2HD2 ASN 34 HD22 ASN 34 -16.270 4.018 -4.017 274 H LYS 35 HN LYS 35 -15.182 0.488 -0.863 275 HA LYS 35 HA LYS 35 -17.193 0.852 1.234 276 1HB LYS 35 HB2 LYS 35 -17.814 1.984 -1.186 277 2HB LYS 35 HB1 LYS 35 -18.487 0.364 -1.374 278 1HG LYS 35 HG2 LYS 35 -19.041 1.535 1.257 279 2HG LYS 35 HG1 LYS 35 -19.730 2.466 -0.073 280 1HD LYS 35 HD2 LYS 35 -20.110 -0.506 0.397 281 2HD LYS 35 HD1 LYS 35 -21.321 0.748 0.670 282 1HE LYS 35 HE2 LYS 35 -21.968 0.374 -1.466 283 2HE LYS 35 HE1 LYS 35 -20.498 1.231 -1.932 284 1HZ LYS 35 HZ1 LYS 35 -21.130 -1.538 -2.177 285 2HZ LYS 35 HZ2 LYS 35 -19.667 -1.307 -1.343 286 3HZ LYS 35 HZ3 LYS 35 -19.875 -0.652 -2.896 287 H VAL 36 HN VAL 36 -15.143 -1.086 0.613 288 HA VAL 36 HA VAL 36 -16.826 -3.496 0.679 289 HB VAL 36 HB VAL 36 -14.648 -3.218 -1.411 290 1HG1 VAL 36 1HG1 VAL 36 -15.159 -5.501 -0.396 291 2HG1 VAL 36 2HG1 VAL 36 -15.344 -5.387 -2.146 292 3HG1 VAL 36 3HG1 VAL 36 -16.768 -5.356 -1.105 293 1HG2 VAL 36 1HG2 VAL 36 -16.597 -3.323 -3.014 294 2HG2 VAL 36 2HG2 VAL 36 -16.519 -1.833 -2.075 295 3HG2 VAL 36 3HG2 VAL 36 -17.670 -3.094 -1.634 296 HA PRO 37 HA PRO 37 -12.800 -3.539 3.085 297 1HB PRO 37 HB2 PRO 37 -13.873 -3.159 5.582 298 2HB PRO 37 HB1 PRO 37 -13.320 -1.831 4.548 299 1HG PRO 37 HG2 PRO 37 -16.107 -2.680 5.182 300 2HG PRO 37 HG1 PRO 37 -15.499 -1.082 4.718 301 1HD PRO 37 HD2 PRO 37 -16.838 -2.911 3.018 302 2HD PRO 37 HD1 PRO 37 -15.950 -1.459 2.512 303 HA PRO 38 HA PRO 38 -12.129 -3.816 5.350 304 1HB PRO 38 HB2 PRO 38 -10.438 -5.632 6.521 305 2HB PRO 38 HB1 PRO 38 -11.904 -5.029 7.312 306 1HG PRO 38 HG2 PRO 38 -11.400 -7.700 6.103 307 2HG PRO 38 HG1 PRO 38 -12.550 -7.242 7.369 308 1HD PRO 38 HD2 PRO 38 -13.145 -7.687 4.616 309 2HD PRO 38 HD1 PRO 38 -14.239 -7.017 5.845 310 H HIS 39 HN HIS 39 -9.593 -3.800 5.058 311 HA HIS 39 HA HIS 39 -8.878 -5.273 2.560 312 1HB HIS 39 HB2 HIS 39 -8.386 -2.373 3.263 313 2HB HIS 39 HB1 HIS 39 -7.485 -3.205 1.993 314 HD2 HIS 39 HD2 HIS 39 -11.287 -2.353 2.760 315 HE1 HIS 39 HE1 HIS 39 -10.842 -2.957 -1.387 316 HE2 HIS 39 HE2 HIS 39 -12.478 -2.390 0.461 317 H ASN 40 HN ASN 40 -6.727 -5.978 2.414 318 HA ASN 40 HA ASN 40 -5.156 -5.739 4.946 319 1HB ASN 40 HB2 ASN 40 -5.831 -8.050 4.484 320 2HB ASN 40 HB1 ASN 40 -5.166 -7.940 2.854 321 1HD2 ASN 40 HD21 ASN 40 -4.066 -9.952 4.324 322 2HD2 ASN 40 HD22 ASN 40 -2.520 -9.538 4.888 323 H VAL 41 HN VAL 41 -3.602 -4.203 4.605 324 HA VAL 41 HA VAL 41 -2.410 -3.975 1.893 325 HB VAL 41 HB VAL 41 -2.390 -2.171 4.320 326 1HG1 VAL 41 1HG1 VAL 41 -1.198 -0.671 2.433 327 2HG1 VAL 41 2HG1 VAL 41 -0.600 -2.255 1.942 328 3HG1 VAL 41 3HG1 VAL 41 -0.280 -1.657 3.569 329 1HG2 VAL 41 1HG2 VAL 41 -3.992 -2.422 1.944 330 2HG2 VAL 41 2HG2 VAL 41 -3.127 -0.885 1.893 331 3HG2 VAL 41 3HG2 VAL 41 -4.166 -1.268 3.267 332 H VAL 42 HN VAL 42 -0.559 -5.078 1.552 333 HA VAL 42 HA VAL 42 1.520 -5.091 3.657 334 HB VAL 42 HB VAL 42 1.805 -7.636 3.047 335 1HG1 VAL 42 1HG1 VAL 42 -0.586 -7.274 4.759 336 2HG1 VAL 42 2HG1 VAL 42 0.810 -6.289 5.196 337 3HG1 VAL 42 3HG1 VAL 42 0.956 -8.046 5.129 338 1HG2 VAL 42 1HG2 VAL 42 0.088 -7.703 1.309 339 2HG2 VAL 42 2HG2 VAL 42 -1.121 -7.099 2.441 340 3HG2 VAL 42 3HG2 VAL 42 -0.427 -8.704 2.667 341 H PHE 43 HN PHE 43 3.585 -6.153 2.688 342 HA PHE 43 HA PHE 43 3.710 -5.537 -0.238 343 1HB PHE 43 HB2 PHE 43 6.043 -5.125 1.633 344 2HB PHE 43 HB1 PHE 43 5.783 -4.439 0.031 345 HD1 PHE 43 HD1 PHE 43 4.999 -2.250 -0.127 346 HD2 PHE 43 HD2 PHE 43 4.190 -4.527 3.423 347 HE1 PHE 43 HE1 PHE 43 3.963 -0.255 0.920 348 HE2 PHE 43 HE2 PHE 43 3.151 -2.533 4.462 349 HZ PHE 43 HZ PHE 43 3.052 -0.398 3.222 350 H ASP 44 HN ASP 44 3.949 -7.500 -1.206 351 HA ASP 44 HA ASP 44 4.801 -9.903 -0.098 352 1HB ASP 44 HB2 ASP 44 3.888 -9.509 -2.445 353 2HB ASP 44 HB1 ASP 44 5.528 -9.055 -2.911 354 H ALA 45 HN ALA 45 6.769 -10.792 0.450 355 HA ALA 45 HA ALA 45 9.086 -9.002 0.491 356 1HB ALA 45 HB1 ALA 45 8.748 -10.307 2.475 357 2HB ALA 45 HB2 ALA 45 10.163 -10.982 1.670 358 3HB ALA 45 HB3 ALA 45 8.604 -11.797 1.543 359 H ALA 46 HN ALA 46 8.405 -9.585 -2.138 360 HA ALA 46 HA ALA 46 10.740 -11.243 -2.963 361 1HB ALA 46 HB1 ALA 46 8.057 -11.380 -4.355 362 2HB ALA 46 HB2 ALA 46 8.553 -12.535 -3.119 363 3HB ALA 46 HB3 ALA 46 9.464 -12.409 -4.623 364 H LEU 47 HN LEU 47 8.462 -8.651 -3.698 365 HA LEU 47 HA LEU 47 10.104 -7.912 -6.068 366 1HB LEU 47 HB2 LEU 47 7.624 -6.415 -5.346 367 2HB LEU 47 HB1 LEU 47 8.244 -6.861 -6.936 368 HG LEU 47 HG LEU 47 7.074 -8.824 -4.941 369 1HD1 LEU 47 HD11 LEU 47 5.774 -8.034 -7.530 370 2HD1 LEU 47 HD12 LEU 47 5.555 -7.017 -6.106 371 3HD1 LEU 47 HD13 LEU 47 5.039 -8.703 -6.072 372 1HD2 LEU 47 HD21 LEU 47 8.085 -10.336 -6.280 373 2HD2 LEU 47 HD22 LEU 47 8.585 -9.081 -7.413 374 3HD2 LEU 47 HD23 LEU 47 6.992 -9.822 -7.565 375 H ASN 48 HN ASN 48 11.833 -7.160 -4.549 376 HA ASN 48 HA ASN 48 11.228 -4.398 -3.574 377 1HB ASN 48 HB2 ASN 48 13.209 -4.971 -1.935 378 2HB ASN 48 HB1 ASN 48 11.576 -5.517 -1.558 379 1HD2 ASN 48 HD21 ASN 48 12.243 -7.450 -0.427 380 2HD2 ASN 48 HD22 ASN 48 12.990 -8.748 -1.225 381 HA PRO 49 HA PRO 49 14.604 -3.214 -6.113 382 1HB PRO 49 HB2 PRO 49 15.263 -0.856 -4.863 383 2HB PRO 49 HB1 PRO 49 13.832 -1.057 -5.889 384 1HG PRO 49 HG2 PRO 49 13.997 -0.859 -2.921 385 2HG PRO 49 HG1 PRO 49 12.648 -0.461 -3.998 386 1HD PRO 49 HD2 PRO 49 12.903 -2.816 -2.430 387 2HD PRO 49 HD1 PRO 49 11.712 -2.534 -3.719 388 H ALA 50 HN ALA 50 15.060 -3.869 -2.744 389 HA ALA 50 HA ALA 50 17.980 -4.140 -3.257 390 1HB ALA 50 HB1 ALA 50 18.203 -2.278 -1.936 391 2HB ALA 50 HB2 ALA 50 18.022 -3.460 -0.640 392 3HB ALA 50 HB3 ALA 50 16.632 -2.512 -1.170 393 H LYS 51 HN LYS 51 15.630 -5.982 -3.061 394 HA LYS 51 HA LYS 51 14.981 -7.955 -1.895 395 1HB LYS 51 HB2 LYS 51 16.730 -8.775 -3.323 396 2HB LYS 51 HB1 LYS 51 17.980 -8.156 -2.242 397 1HG LYS 51 HG2 LYS 51 17.653 -10.594 -1.950 398 2HG LYS 51 HG1 LYS 51 17.247 -9.706 -0.481 399 1HD LYS 51 HD2 LYS 51 15.108 -10.415 -0.554 400 2HD LYS 51 HD1 LYS 51 14.945 -9.920 -2.240 401 1HE LYS 51 HE2 LYS 51 14.777 -12.160 -2.626 402 2HE LYS 51 HE1 LYS 51 16.536 -12.116 -2.511 403 1HZ LYS 51 HZ1 LYS 51 14.809 -13.532 -0.905 404 2HZ LYS 51 HZ2 LYS 51 15.351 -12.246 0.063 405 3HZ LYS 51 HZ3 LYS 51 16.471 -13.300 -0.657 406 H SER 52 HN SER 52 14.288 -7.060 0.154 407 HA SER 52 HA SER 52 16.225 -7.648 2.343 408 1HB SER 52 HB2 SER 52 14.615 -5.123 1.955 409 2HB SER 52 HB1 SER 52 15.210 -5.610 3.540 410 HG SER 52 HG SER 52 16.816 -5.327 1.212 411 H ALA 53 HN ALA 53 15.134 -8.052 4.425 412 HA ALA 53 HA ALA 53 12.253 -8.781 4.118 413 1HB ALA 53 HB1 ALA 53 12.605 -10.941 4.749 414 2HB ALA 53 HB2 ALA 53 13.851 -10.494 5.915 415 3HB ALA 53 HB3 ALA 53 14.257 -10.646 4.206 416 H ASP 54 HN ASP 54 13.144 -6.381 5.265 417 HA ASP 54 HA ASP 54 12.280 -6.798 8.057 418 1HB ASP 54 HB2 ASP 54 14.063 -5.378 8.938 419 2HB ASP 54 HB1 ASP 54 14.771 -6.742 8.071 420 H LEU 55 HN LEU 55 13.027 -4.477 5.463 421 HA LEU 55 HA LEU 55 11.751 -2.222 6.629 422 1HB LEU 55 HB2 LEU 55 11.894 -1.215 4.518 423 2HB LEU 55 HB1 LEU 55 13.178 -2.419 4.444 424 HG LEU 55 HG LEU 55 11.205 -3.951 3.517 425 1HD1 LEU 55 HD11 LEU 55 9.898 -1.506 3.789 426 2HD1 LEU 55 HD12 LEU 55 9.342 -2.873 2.823 427 3HD1 LEU 55 HD13 LEU 55 10.283 -1.586 2.070 428 1HD2 LEU 55 HD21 LEU 55 13.403 -2.894 2.436 429 2HD2 LEU 55 HD22 LEU 55 12.219 -1.922 1.563 430 3HD2 LEU 55 HD23 LEU 55 12.185 -3.680 1.432 431 H ALA 56 HN ALA 56 10.440 -5.143 5.393 432 HA ALA 56 HA ALA 56 7.761 -3.982 4.945 433 1HB ALA 56 HB1 ALA 56 8.954 -6.738 4.642 434 2HB ALA 56 HB2 ALA 56 8.248 -5.704 3.400 435 3HB ALA 56 HB3 ALA 56 7.208 -6.492 4.587 436 H LYS 57 HN LYS 57 9.439 -6.090 7.256 437 HA LYS 57 HA LYS 57 7.368 -7.021 8.840 438 1HB LYS 57 HB2 LYS 57 10.101 -6.830 9.138 439 2HB LYS 57 HB1 LYS 57 9.513 -5.797 10.442 440 1HG LYS 57 HG2 LYS 57 9.252 -7.723 11.608 441 2HG LYS 57 HG1 LYS 57 7.823 -7.971 10.606 442 1HD LYS 57 HD2 LYS 57 8.805 -9.865 9.870 443 2HD LYS 57 HD1 LYS 57 9.939 -8.831 8.999 444 1HE LYS 57 HE2 LYS 57 11.314 -8.736 11.137 445 2HE LYS 57 HE1 LYS 57 10.272 -10.013 11.765 446 1HZ LYS 57 HZ1 LYS 57 11.589 -11.440 10.726 447 2HZ LYS 57 HZ2 LYS 57 12.431 -10.199 9.927 448 3HZ LYS 57 HZ3 LYS 57 11.009 -10.838 9.250 449 H SER 58 HN SER 58 8.803 -3.758 8.954 450 HA SER 58 HA SER 58 6.620 -2.913 10.788 451 1HB SER 58 HB2 SER 58 9.343 -2.231 10.598 452 2HB SER 58 HB1 SER 58 8.471 -0.810 10.029 453 HG SER 58 HG SER 58 8.712 -0.789 12.293 454 H LEU 59 HN LEU 59 6.124 -3.543 7.958 455 HA LEU 59 HA LEU 59 5.101 -0.863 7.124 456 1HB LEU 59 HB2 LEU 59 7.173 -1.919 5.826 457 2HB LEU 59 HB1 LEU 59 5.905 -2.841 5.028 458 HG LEU 59 HG LEU 59 4.731 -0.614 4.626 459 1HD1 LEU 59 HD11 LEU 59 5.895 0.761 6.241 460 2HD1 LEU 59 HD12 LEU 59 6.311 1.357 4.634 461 3HD1 LEU 59 HD13 LEU 59 7.455 0.358 5.529 462 1HD2 LEU 59 HD21 LEU 59 5.862 -0.335 2.589 463 2HD2 LEU 59 HD22 LEU 59 6.301 -1.984 3.028 464 3HD2 LEU 59 HD23 LEU 59 7.436 -0.664 3.307 465 H SER 60 HN SER 60 4.864 -4.375 6.464 466 HA SER 60 HA SER 60 2.128 -4.109 5.488 467 1HB SER 60 HB2 SER 60 2.448 -6.778 5.958 468 2HB SER 60 HB1 SER 60 2.979 -5.969 4.486 469 HG SER 60 HG SER 60 4.750 -7.009 5.258 470 H HIS 61 HN HIS 61 0.387 -3.933 6.798 471 HA HIS 61 HA HIS 61 0.655 -4.787 9.635 472 1HB HIS 61 HB2 HIS 61 -1.111 -3.289 10.139 473 2HB HIS 61 HB1 HIS 61 -0.156 -2.438 8.926 474 HD1 HIS 61 HD1 HIS 61 -3.353 -4.446 9.286 475 HD2 HIS 61 HD2 HIS 61 -1.514 -1.912 6.523 476 HE1 HIS 61 HE1 HIS 61 -5.064 -3.988 7.470 477 H LYS 62 HN LYS 62 -0.305 -6.659 10.276 478 HA LYS 62 HA LYS 62 -1.929 -8.181 8.384 479 1HB LYS 62 HB2 LYS 62 -0.513 -8.690 10.874 480 2HB LYS 62 HB1 LYS 62 -2.123 -9.411 10.897 481 1HG LYS 62 HG2 LYS 62 -1.686 -10.776 9.055 482 2HG LYS 62 HG1 LYS 62 -0.401 -9.727 8.456 483 1HD LYS 62 HD2 LYS 62 0.769 -11.568 9.352 484 2HD LYS 62 HD1 LYS 62 0.849 -10.363 10.638 485 1HE LYS 62 HE2 LYS 62 0.220 -12.550 11.565 486 2HE LYS 62 HE1 LYS 62 -1.117 -11.412 11.726 487 1HZ LYS 62 HZ1 LYS 62 -1.038 -12.961 9.268 488 2HZ LYS 62 HZ2 LYS 62 -2.363 -12.517 10.234 489 3HZ LYS 62 HZ3 LYS 62 -1.386 -13.833 10.680 490 H GLN 63 HN GLN 63 -2.508 -6.348 11.365 491 HA GLN 63 HA GLN 63 -5.104 -7.080 12.011 492 1HB GLN 63 HB2 GLN 63 -3.449 -4.984 12.704 493 2HB GLN 63 HB1 GLN 63 -4.786 -4.160 11.901 494 1HG GLN 63 HG2 GLN 63 -6.386 -5.401 13.351 495 2HG GLN 63 HG1 GLN 63 -5.018 -6.127 14.197 496 1HE2 GLN 63 1HE2 GLN 63 -4.566 -5.044 16.108 497 2HE2 GLN 63 2HE2 GLN 63 -4.747 -3.374 16.355 498 H LEU 64 HN LEU 64 -6.954 -7.178 10.841 499 HA LEU 64 HA LEU 64 -7.080 -6.046 8.161 500 1HB LEU 64 HB2 LEU 64 -9.051 -7.528 9.906 501 2HB LEU 64 HB1 LEU 64 -9.504 -6.886 8.327 502 HG LEU 64 HG LEU 64 -7.113 -8.165 7.794 503 1HD1 LEU 64 HD11 LEU 64 -8.630 -10.223 9.324 504 2HD1 LEU 64 HD12 LEU 64 -7.653 -9.093 10.263 505 3HD1 LEU 64 HD13 LEU 64 -6.897 -10.095 9.024 506 1HD2 LEU 64 HD21 LEU 64 -9.950 -8.492 7.255 507 2HD2 LEU 64 HD22 LEU 64 -9.137 -10.056 7.320 508 3HD2 LEU 64 HD23 LEU 64 -8.573 -8.815 6.201 509 H LEU 65 HN LEU 65 -9.115 -4.706 7.564 510 HA LEU 65 HA LEU 65 -9.222 -2.419 9.447 511 1HB LEU 65 HB2 LEU 65 -10.010 -2.811 6.560 512 2HB LEU 65 HB1 LEU 65 -10.516 -1.385 7.462 513 HG LEU 65 HG LEU 65 -8.294 -0.651 7.783 514 1HD1 LEU 65 HD11 LEU 65 -7.490 -3.465 7.011 515 2HD1 LEU 65 HD12 LEU 65 -7.238 -2.660 8.560 516 3HD1 LEU 65 HD13 LEU 65 -6.337 -2.137 7.137 517 1HD2 LEU 65 HD21 LEU 65 -7.255 -1.288 5.346 518 2HD2 LEU 65 HD22 LEU 65 -8.496 -0.057 5.584 519 3HD2 LEU 65 HD23 LEU 65 -8.954 -1.685 5.085 520 H MET 66 HN MET 66 -11.603 -1.314 9.301 521 HA MET 66 HA MET 66 -13.689 -3.413 9.525 522 1HB MET 66 HB2 MET 66 -13.305 -1.394 11.742 523 2HB MET 66 HB1 MET 66 -14.327 -2.831 11.743 524 1HG MET 66 HG2 MET 66 -12.433 -4.292 11.821 525 2HG MET 66 HG1 MET 66 -11.317 -2.972 11.469 526 1HE MET 66 HE1 MET 66 -12.528 -4.833 15.091 527 2HE MET 66 HE2 MET 66 -10.828 -4.748 14.634 528 3HE MET 66 HE3 MET 66 -12.024 -5.283 13.456 529 H SER 67 HN SER 67 -13.030 0.094 9.881 530 HA SER 67 HA SER 67 -15.782 0.755 9.156 531 1HB SER 67 HB2 SER 67 -14.528 2.200 10.696 532 2HB SER 67 HB1 SER 67 -13.329 2.514 9.444 533 HG SER 67 HG SER 67 -14.958 3.488 8.213 534 HA PRO 68 HA PRO 68 -15.121 0.920 4.787 535 1HB PRO 68 HB2 PRO 68 -17.392 2.324 4.166 536 2HB PRO 68 HB1 PRO 68 -17.396 0.608 4.607 537 1HG PRO 68 HG2 PRO 68 -18.266 2.959 6.215 538 2HG PRO 68 HG1 PRO 68 -18.782 1.269 6.329 539 1HD PRO 68 HD2 PRO 68 -16.934 2.575 8.044 540 2HD PRO 68 HD1 PRO 68 -17.246 0.828 7.968 541 H GLY 69 HN GLY 69 -13.262 2.397 4.619 542 1HA GLY 69 HA2 GLY 69 -12.858 4.493 3.291 543 2HA GLY 69 HA1 GLY 69 -14.092 5.260 4.287 544 H GLN 70 HN GLN 70 -11.295 3.194 5.120 545 HA GLN 70 HA GLN 70 -9.549 5.125 6.100 546 1HB GLN 70 HB2 GLN 70 -10.123 4.988 8.606 547 2HB GLN 70 HB1 GLN 70 -11.147 6.023 7.612 548 1HG GLN 70 HG2 GLN 70 -12.396 3.572 7.386 549 2HG GLN 70 HG1 GLN 70 -11.824 3.554 9.054 550 1HE2 GLN 70 1HE2 GLN 70 -12.215 5.903 10.152 551 2HE2 GLN 70 2HE2 GLN 70 -13.776 6.525 9.915 552 H SER 71 HN SER 71 -7.852 3.730 5.884 553 HA SER 71 HA SER 71 -8.099 1.014 7.060 554 1HB SER 71 HB2 SER 71 -6.096 0.471 5.766 555 2HB SER 71 HB1 SER 71 -7.304 1.201 4.715 556 HG SER 71 HG SER 71 -4.968 2.005 4.760 557 H THR 72 HN THR 72 -4.937 2.360 6.645 558 HA THR 72 HA THR 72 -4.693 3.153 9.482 559 HB THR 72 HB THR 72 -2.842 1.649 9.907 560 HG1 THR 72 HG1 THR 72 -3.070 1.257 7.156 561 1HG2 THR 72 1HG2 THR 72 -4.743 -0.211 8.545 562 2HG2 THR 72 2HG2 THR 72 -5.369 0.822 9.831 563 3HG2 THR 72 3HG2 THR 72 -4.052 -0.302 10.165 564 H SER 73 HN SER 73 -1.811 3.230 9.361 565 HA SER 73 HA SER 73 -1.255 4.958 7.008 566 1HB SER 73 HB2 SER 73 -0.094 6.528 8.799 567 2HB SER 73 HB1 SER 73 -1.808 6.707 8.435 568 HG SER 73 HG SER 73 -2.243 5.370 10.233 569 H THR 74 HN THR 74 0.237 3.417 6.281 570 HA THR 74 HA THR 74 2.230 2.209 7.967 571 HB THR 74 HB THR 74 2.338 2.660 4.970 572 HG1 THR 74 HG1 THR 74 1.526 0.265 6.134 573 1HG2 THR 74 1HG2 THR 74 4.033 1.093 4.909 574 2HG2 THR 74 2HG2 THR 74 3.494 0.300 6.390 575 3HG2 THR 74 3HG2 THR 74 4.365 1.830 6.477 576 H THR 75 HN THR 75 3.544 3.617 9.089 577 HA THR 75 HA THR 75 4.565 6.065 7.866 578 HB THR 75 HB THR 75 5.706 4.839 10.364 579 HG1 THR 75 HG1 THR 75 3.111 5.741 9.908 580 1HG2 THR 75 1HG2 THR 75 4.983 7.680 9.598 581 2HG2 THR 75 2HG2 THR 75 6.593 6.977 9.451 582 3HG2 THR 75 3HG2 THR 75 5.862 7.178 11.043 583 H PHE 76 HN PHE 76 5.568 4.951 5.997 584 HA PHE 76 HA PHE 76 7.499 3.003 5.933 585 1HB PHE 76 HB2 PHE 76 7.165 5.566 4.430 586 2HB PHE 76 HB1 PHE 76 8.670 4.673 4.212 587 HD1 PHE 76 HD1 PHE 76 8.723 2.563 3.060 588 HD2 PHE 76 HD2 PHE 76 4.968 4.489 3.872 589 HE1 PHE 76 HE1 PHE 76 7.586 0.981 1.531 590 HE2 PHE 76 HE2 PHE 76 3.833 2.903 2.340 591 HZ PHE 76 HZ PHE 76 5.141 1.157 1.170 592 HA PRO 77 HA PRO 77 10.739 4.406 8.557 593 1HB PRO 77 HB2 PRO 77 12.685 2.675 7.676 594 2HB PRO 77 HB1 PRO 77 11.353 2.197 8.741 595 1HG PRO 77 HG2 PRO 77 11.728 1.635 5.837 596 2HG PRO 77 HG1 PRO 77 10.819 0.716 7.049 597 1HD PRO 77 HD2 PRO 77 9.709 2.463 5.118 598 2HD PRO 77 HD1 PRO 77 8.866 1.801 6.535 599 H ALA 78 HN ALA 78 13.056 5.206 8.397 600 HA ALA 78 HA ALA 78 13.327 6.959 6.060 601 1HB ALA 78 HB1 ALA 78 14.414 6.813 8.768 602 2HB ALA 78 HB2 ALA 78 14.222 8.214 7.714 603 3HB ALA 78 HB3 ALA 78 15.654 7.194 7.574 604 H ASP 79 HN ASP 79 13.889 3.817 6.300 605 HA ASP 79 HA ASP 79 16.601 3.848 5.080 606 1HB ASP 79 HB2 ASP 79 15.960 2.211 6.941 607 2HB ASP 79 HB1 ASP 79 14.921 1.422 5.754 608 H ALA 80 HN ALA 80 13.256 3.570 4.306 609 HA ALA 80 HA ALA 80 13.035 2.000 2.065 610 1HB ALA 80 HB1 ALA 80 11.075 3.143 2.445 611 2HB ALA 80 HB2 ALA 80 11.703 4.128 1.123 612 3HB ALA 80 HB3 ALA 80 11.906 4.660 2.793 613 HA PRO 81 HA PRO 81 16.439 3.893 -0.250 614 1HB PRO 81 HB2 PRO 81 16.956 1.623 -1.716 615 2HB PRO 81 HB1 PRO 81 17.621 1.920 -0.100 616 1HG PRO 81 HG2 PRO 81 15.411 0.084 -0.914 617 2HG PRO 81 HG1 PRO 81 16.525 -0.039 0.458 618 1HD PRO 81 HD2 PRO 81 13.851 0.840 0.595 619 2HD PRO 81 HD1 PRO 81 15.081 1.067 1.854 620 H ALA 82 HN ALA 82 16.153 4.988 -2.174 621 HA ALA 82 HA ALA 82 13.766 5.108 -3.584 622 1HB ALA 82 HB1 ALA 82 15.713 5.495 -5.561 623 2HB ALA 82 HB2 ALA 82 16.513 5.946 -4.055 624 3HB ALA 82 HB3 ALA 82 15.010 6.739 -4.527 625 H GLY 83 HN GLY 83 12.775 3.869 -5.144 626 1HA GLY 83 HA2 GLY 83 13.929 2.177 -7.029 627 2HA GLY 83 HA1 GLY 83 13.750 1.176 -5.587 628 H GLU 84 HN GLU 84 12.049 -0.139 -6.202 629 HA GLU 84 HA GLU 84 9.456 1.252 -6.686 630 1HB GLU 84 HB2 GLU 84 10.677 -1.000 -8.288 631 2HB GLU 84 HB1 GLU 84 8.938 -0.706 -8.278 632 1HG GLU 84 HG2 GLU 84 9.383 0.728 -9.985 633 2HG GLU 84 HG1 GLU 84 9.918 1.820 -8.707 634 H TYR 85 HN TYR 85 8.068 0.623 -5.123 635 HA TYR 85 HA TYR 85 8.504 -2.014 -3.804 636 1HB TYR 85 HB2 TYR 85 6.829 0.369 -2.944 637 2HB TYR 85 HB1 TYR 85 7.053 -1.112 -2.011 638 HD1 TYR 85 HD1 TYR 85 8.686 -1.064 -0.349 639 HD2 TYR 85 HD2 TYR 85 9.168 1.407 -3.830 640 HE1 TYR 85 HE1 TYR 85 10.795 -0.150 0.587 641 HE2 TYR 85 HE2 TYR 85 11.271 2.318 -2.895 642 HH TYR 85 HH TYR 85 12.992 1.669 -1.280 643 H THR 86 HN THR 86 6.129 -2.851 -2.986 644 HA THR 86 HA THR 86 4.010 -2.392 -4.937 645 HB THR 86 HB THR 86 5.549 -5.001 -4.985 646 HG1 THR 86 HG1 THR 86 6.505 -3.525 -6.291 647 1HG2 THR 86 1HG2 THR 86 3.880 -5.753 -6.606 648 2HG2 THR 86 2HG2 THR 86 3.016 -4.223 -6.457 649 3HG2 THR 86 3HG2 THR 86 3.088 -5.332 -5.087 650 H PHE 87 HN PHE 87 2.274 -2.450 -3.613 651 HA PHE 87 HA PHE 87 2.206 -4.506 -1.477 652 1HB PHE 87 HB2 PHE 87 0.245 -2.884 -0.691 653 2HB PHE 87 HB1 PHE 87 1.928 -2.553 -0.275 654 HD1 PHE 87 HD1 PHE 87 -0.979 -1.417 -2.081 655 HD2 PHE 87 HD2 PHE 87 3.283 -1.033 -1.778 656 HE1 PHE 87 HE1 PHE 87 -1.081 0.695 -3.362 657 HE2 PHE 87 HE2 PHE 87 3.188 1.079 -3.054 658 HZ PHE 87 HZ PHE 87 1.004 1.955 -3.853 659 H TYR 88 HN TYR 88 -0.031 -5.426 -1.075 660 HA TYR 88 HA TYR 88 -1.876 -5.184 -3.351 661 1HB TYR 88 HB2 TYR 88 -1.917 -7.582 -3.810 662 2HB TYR 88 HB1 TYR 88 -0.276 -6.969 -4.015 663 HD1 TYR 88 HD1 TYR 88 -2.456 -9.155 -2.082 664 HD2 TYR 88 HD2 TYR 88 1.432 -7.336 -2.229 665 HE1 TYR 88 HE1 TYR 88 -1.639 -10.765 -0.384 666 HE2 TYR 88 HE2 TYR 88 2.250 -8.947 -0.531 667 HH TYR 88 HH TYR 88 1.639 -11.229 0.282 668 H CYS 89 HN CYS 89 -3.465 -7.432 -2.717 669 HA CYS 89 HA CYS 89 -4.236 -6.935 0.126 670 1HB CYS 89 HB2 CYS 89 -5.648 -6.089 -2.209 671 2HB CYS 89 HB1 CYS 89 -6.582 -7.375 -1.448 672 H GLU 90 HN GLU 90 -4.490 -8.852 1.189 673 HA GLU 90 HA GLU 90 -4.167 -11.375 -0.081 674 1HB GLU 90 HB2 GLU 90 -4.023 -10.679 2.464 675 2HB GLU 90 HB1 GLU 90 -5.717 -11.170 2.477 676 1HG GLU 90 HG2 GLU 90 -5.178 -13.357 2.377 677 2HG GLU 90 HG1 GLU 90 -4.058 -13.085 1.042 678 HA PRO 91 HA PRO 91 -8.930 -11.752 0.044 679 1HB PRO 91 HB2 PRO 91 -10.371 -9.468 0.555 680 2HB PRO 91 HB1 PRO 91 -9.846 -10.600 1.813 681 1HG PRO 91 HG2 PRO 91 -8.780 -7.899 1.164 682 2HG PRO 91 HG1 PRO 91 -8.722 -8.791 2.693 683 1HD PRO 91 HD2 PRO 91 -6.599 -8.506 0.831 684 2HD PRO 91 HD1 PRO 91 -6.637 -9.607 2.223 685 H HIS 92 HN HIS 92 -8.787 -8.265 -0.828 686 HA HIS 92 HA HIS 92 -10.090 -8.708 -3.358 687 1HB HIS 92 HB2 HIS 92 -8.317 -6.332 -2.817 688 2HB HIS 92 HB1 HIS 92 -9.809 -6.404 -3.752 689 HD2 HIS 92 HD2 HIS 92 -12.194 -6.825 -2.014 690 HE1 HIS 92 HE1 HIS 92 -10.278 -5.160 1.344 691 HE2 HIS 92 HE2 HIS 92 -12.499 -5.903 0.394 692 H ARG 93 HN ARG 93 -8.398 -10.595 -3.733 693 HA ARG 93 HA ARG 93 -5.884 -9.599 -4.938 694 1HB ARG 93 HB2 ARG 93 -6.520 -11.904 -3.547 695 2HB ARG 93 HB1 ARG 93 -6.490 -12.458 -5.222 696 1HG ARG 93 HG2 ARG 93 -4.258 -11.127 -5.382 697 2HG ARG 93 HG1 ARG 93 -4.278 -11.191 -3.620 698 1HD ARG 93 HD2 ARG 93 -3.058 -13.118 -4.253 699 2HD ARG 93 HD1 ARG 93 -4.676 -13.727 -3.902 700 HE ARG 93 HE ARG 93 -4.196 -13.007 -6.715 701 1HH1 ARG 93 HH21 ARG 93 -2.355 -15.273 -5.817 702 2HH1 ARG 93 HH22 ARG 93 -3.312 -16.658 -6.226 703 1HH2 ARG 93 HH11 ARG 93 -6.253 -14.855 -6.573 704 2HH2 ARG 93 HH12 ARG 93 -5.519 -16.421 -6.654 705 H GLY 94 HN GLY 94 -9.062 -10.216 -5.905 706 1HA GLY 94 HA2 GLY 94 -8.200 -10.800 -8.705 707 2HA GLY 94 HA1 GLY 94 -9.803 -11.152 -8.061 708 H ALA 95 HN ALA 95 -7.948 -8.139 -7.671 709 HA ALA 95 HA ALA 95 -9.790 -6.770 -9.542 710 1HB ALA 95 HB1 ALA 95 -9.440 -5.825 -6.683 711 2HB ALA 95 HB2 ALA 95 -10.852 -6.708 -7.261 712 3HB ALA 95 HB3 ALA 95 -10.482 -5.113 -7.914 713 H GLY 96 HN GLY 96 -6.971 -7.352 -9.650 714 1HA GLY 96 HA2 GLY 96 -4.913 -6.280 -10.025 715 2HA GLY 96 HA1 GLY 96 -5.910 -4.930 -10.566 716 H MET 97 HN MET 97 -6.283 -6.007 -7.286 717 HA MET 97 HA MET 97 -5.590 -3.416 -6.243 718 1HB MET 97 HB2 MET 97 -6.279 -6.082 -5.079 719 2HB MET 97 HB1 MET 97 -5.494 -4.903 -4.027 720 1HG MET 97 HG2 MET 97 -7.594 -3.659 -5.604 721 2HG MET 97 HG1 MET 97 -8.222 -5.012 -4.664 722 1HE MET 97 HE1 MET 97 -7.697 -0.994 -3.884 723 2HE MET 97 HE2 MET 97 -9.172 -1.711 -3.241 724 3HE MET 97 HE3 MET 97 -8.655 -2.097 -4.880 725 H VAL 98 HN VAL 98 -3.403 -3.515 -7.500 726 HA VAL 98 HA VAL 98 -1.338 -4.398 -5.544 727 HB VAL 98 HB VAL 98 -1.262 -4.905 -8.535 728 1HG1 VAL 98 1HG1 VAL 98 0.856 -6.220 -7.262 729 2HG1 VAL 98 2HG1 VAL 98 0.834 -4.613 -6.536 730 3HG1 VAL 98 3HG1 VAL 98 0.978 -4.788 -8.284 731 1HG2 VAL 98 1HG2 VAL 98 -1.225 -6.825 -6.184 732 2HG2 VAL 98 2HG2 VAL 98 -1.228 -7.262 -7.893 733 3HG2 VAL 98 3HG2 VAL 98 -2.644 -6.490 -7.177 734 H GLY 99 HN GLY 99 -1.003 -2.210 -4.955 735 1HA GLY 99 HA2 GLY 99 -0.383 -0.258 -7.061 736 2HA GLY 99 HA1 GLY 99 -0.470 0.083 -5.334 737 H LYS 100 HN LYS 100 1.647 1.235 -6.104 738 HA LYS 100 HA LYS 100 3.876 -0.445 -5.207 739 1HB LYS 100 HB2 LYS 100 3.880 0.758 -7.993 740 2HB LYS 100 HB1 LYS 100 5.258 -0.023 -7.217 741 1HG LYS 100 HG2 LYS 100 3.884 -2.105 -6.991 742 2HG LYS 100 HG1 LYS 100 2.608 -1.316 -7.917 743 1HD LYS 100 HD2 LYS 100 4.847 -0.892 -9.485 744 2HD LYS 100 HD1 LYS 100 5.116 -2.516 -8.847 745 1HE LYS 100 HE2 LYS 100 3.838 -2.929 -10.773 746 2HE LYS 100 HE1 LYS 100 2.622 -2.923 -9.494 747 1HZ LYS 100 HZ1 LYS 100 2.880 -0.301 -10.233 748 2HZ LYS 100 HZ2 LYS 100 1.608 -1.346 -10.652 749 3HZ LYS 100 HZ3 LYS 100 2.929 -1.147 -11.702 750 H ILE 101 HN ILE 101 5.025 0.858 -3.870 751 HA ILE 101 HA ILE 101 4.675 3.774 -4.043 752 HB ILE 101 HB ILE 101 5.336 1.875 -1.982 753 1HG1 ILE 101 2HG1 ILE 101 4.689 4.820 -2.117 754 2HG1 ILE 101 1HG1 ILE 101 3.651 3.493 -1.604 755 1HG2 ILE 101 1HG2 ILE 101 7.693 2.425 -2.348 756 2HG2 ILE 101 2HG2 ILE 101 7.143 3.143 -0.835 757 3HG2 ILE 101 3HG2 ILE 101 7.325 4.148 -2.272 758 1HD1 ILE 101 HD11 ILE 101 5.902 3.386 0.096 759 2HD1 ILE 101 HD12 ILE 101 4.276 3.914 0.521 760 3HD1 ILE 101 HD13 ILE 101 5.471 5.091 -0.014 761 H THR 102 HN THR 102 6.204 5.189 -4.837 762 HA THR 102 HA THR 102 8.787 3.984 -5.751 763 HB THR 102 HB THR 102 7.237 6.307 -6.943 764 HG1 THR 102 HG1 THR 102 7.694 3.627 -7.678 765 1HG2 THR 102 1HG2 THR 102 9.665 5.037 -8.169 766 2HG2 THR 102 2HG2 THR 102 9.866 6.278 -6.932 767 3HG2 THR 102 3HG2 THR 102 9.004 6.652 -8.425 768 H VAL 103 HN VAL 103 10.359 4.620 -4.352 769 HA VAL 103 HA VAL 103 10.103 7.276 -3.040 770 HB VAL 103 HB VAL 103 12.152 5.130 -2.449 771 1HG1 VAL 103 1HG1 VAL 103 11.142 6.761 -0.259 772 2HG1 VAL 103 2HG1 VAL 103 11.820 7.756 -1.548 773 3HG1 VAL 103 3HG1 VAL 103 12.806 6.508 -0.786 774 1HG2 VAL 103 1HG2 VAL 103 10.401 3.851 -1.782 775 2HG2 VAL 103 2HG2 VAL 103 9.265 5.194 -1.918 776 3HG2 VAL 103 3HG2 VAL 103 10.234 5.002 -0.457 777 H ALA 104 HN ALA 104 11.430 8.944 -3.601 778 HA ALA 104 HA ALA 104 14.106 8.690 -4.538 779 1HB ALA 104 HB1 ALA 104 12.128 8.144 -6.529 780 2HB ALA 104 HB2 ALA 104 13.878 8.235 -6.728 781 3HB ALA 104 HB3 ALA 104 12.892 9.684 -6.922 782 H GLY 105 HN GLY 105 11.506 10.757 -5.849 783 1HA GLY 105 HA2 GLY 105 11.061 12.951 -4.692 784 2HA GLY 105 HA1 GLY 105 12.804 13.056 -4.439 Start of MODEL 7 1 1H GLU 1 HT1 GLU 1 4.199 16.381 1.990 2 2H GLU 1 HT2 GLU 1 4.620 15.327 3.254 3 3H GLU 1 HT3 GLU 1 4.495 16.997 3.543 4 HA GLU 1 HA GLU 1 2.468 16.466 4.320 5 1HB GLU 1 HB2 GLU 1 2.326 16.733 1.351 6 2HB GLU 1 HB1 GLU 1 0.869 16.190 2.183 7 1HG GLU 1 HG2 GLU 1 0.813 18.613 2.046 8 2HG GLU 1 HG1 GLU 1 1.087 18.156 3.727 9 H THR 2 HN THR 2 0.401 14.908 3.748 10 HA THR 2 HA THR 2 1.563 12.164 3.793 11 HB THR 2 HB THR 2 -1.087 11.901 4.504 12 HG1 THR 2 HG1 THR 2 -0.142 14.235 5.775 13 1HG2 THR 2 1HG2 THR 2 0.898 12.641 6.612 14 2HG2 THR 2 2HG2 THR 2 1.249 11.250 5.587 15 3HG2 THR 2 3HG2 THR 2 -0.223 11.282 6.556 16 H TYR 3 HN TYR 3 0.695 10.536 2.433 17 HA TYR 3 HA TYR 3 -1.017 11.572 0.207 18 1HB TYR 3 HB2 TYR 3 1.223 9.533 0.176 19 2HB TYR 3 HB1 TYR 3 0.118 9.779 -1.176 20 HD1 TYR 3 HD1 TYR 3 0.647 11.373 -2.801 21 HD2 TYR 3 HD2 TYR 3 2.360 11.717 1.123 22 HE1 TYR 3 HE1 TYR 3 2.011 13.298 -3.566 23 HE2 TYR 3 HE2 TYR 3 3.723 13.643 0.359 24 HH TYR 3 HH TYR 3 3.542 14.799 -3.012 25 H THR 4 HN THR 4 -2.966 10.576 0.054 26 HA THR 4 HA THR 4 -3.259 7.905 1.365 27 HB THR 4 HB THR 4 -4.613 9.500 2.541 28 HG1 THR 4 HG1 THR 4 -6.727 8.746 1.951 29 1HG2 THR 4 1HG2 THR 4 -5.095 10.523 -0.207 30 2HG2 THR 4 2HG2 THR 4 -4.893 11.408 1.305 31 3HG2 THR 4 3HG2 THR 4 -6.439 10.648 0.928 32 H VAL 5 HN VAL 5 -4.062 6.242 0.113 33 HA VAL 5 HA VAL 5 -4.776 6.933 -2.704 34 HB VAL 5 HB VAL 5 -4.249 4.374 -2.968 35 1HG1 VAL 5 1HG1 VAL 5 -2.278 5.055 -3.892 36 2HG1 VAL 5 2HG1 VAL 5 -1.742 5.840 -2.405 37 3HG1 VAL 5 3HG1 VAL 5 -2.867 6.667 -3.483 38 1HG2 VAL 5 1HG2 VAL 5 -2.430 4.953 -0.643 39 2HG2 VAL 5 2HG2 VAL 5 -2.877 3.395 -1.339 40 3HG2 VAL 5 3HG2 VAL 5 -4.039 4.289 -0.359 41 H LYS 6 HN LYS 6 -7.027 7.294 -2.125 42 HA LYS 6 HA LYS 6 -8.664 5.481 -0.698 43 1HB LYS 6 HB2 LYS 6 -9.312 7.793 -1.509 44 2HB LYS 6 HB1 LYS 6 -9.533 7.092 -3.112 45 1HG LYS 6 HG2 LYS 6 -11.351 5.780 -2.434 46 2HG LYS 6 HG1 LYS 6 -10.892 5.855 -0.732 47 1HD LYS 6 HD2 LYS 6 -11.697 8.047 -0.480 48 2HD LYS 6 HD1 LYS 6 -11.656 8.362 -2.216 49 1HE LYS 6 HE2 LYS 6 -13.455 6.595 -2.474 50 2HE LYS 6 HE1 LYS 6 -13.591 6.582 -0.715 51 1HZ LYS 6 HZ1 LYS 6 -15.155 8.133 -1.287 52 2HZ LYS 6 HZ2 LYS 6 -14.273 8.713 -2.618 53 3HZ LYS 6 HZ3 LYS 6 -13.808 9.133 -1.039 54 H LEU 7 HN LEU 7 -9.362 3.444 -1.192 55 HA LEU 7 HA LEU 7 -8.866 2.468 -3.962 56 1HB LEU 7 HB2 LEU 7 -9.475 0.227 -2.531 57 2HB LEU 7 HB1 LEU 7 -7.837 0.830 -2.758 58 HG LEU 7 HG LEU 7 -9.577 1.740 -0.459 59 1HD1 LEU 7 HD11 LEU 7 -7.635 -0.590 -0.555 60 2HD1 LEU 7 HD12 LEU 7 -9.379 -0.701 -0.316 61 3HD1 LEU 7 HD13 LEU 7 -8.367 0.056 0.914 62 1HD2 LEU 7 HD21 LEU 7 -6.775 1.604 0.091 63 2HD2 LEU 7 HD22 LEU 7 -7.788 3.043 -0.034 64 3HD2 LEU 7 HD23 LEU 7 -6.979 2.406 -1.466 65 H GLY 8 HN GLY 8 -10.543 0.529 -4.419 66 1HA GLY 8 HA2 GLY 8 -12.777 -0.062 -4.841 67 2HA GLY 8 HA1 GLY 8 -13.219 0.855 -3.400 68 H SER 9 HN SER 9 -12.312 1.284 -6.821 69 HA SER 9 HA SER 9 -12.828 3.980 -7.197 70 1HB SER 9 HB2 SER 9 -13.924 3.114 -9.453 71 2HB SER 9 HB1 SER 9 -12.198 2.922 -9.161 72 HG SER 9 HG SER 9 -12.651 0.888 -9.497 73 H ASP 10 HN ASP 10 -15.150 1.427 -6.573 74 HA ASP 10 HA ASP 10 -17.372 1.612 -5.837 75 1HB ASP 10 HB2 ASP 10 -18.014 3.562 -4.848 76 2HB ASP 10 HB1 ASP 10 -16.344 4.039 -5.129 77 H LYS 11 HN LYS 11 -16.150 2.382 -8.823 78 HA LYS 11 HA LYS 11 -18.899 2.429 -10.001 79 1HB LYS 11 HB2 LYS 11 -16.943 4.415 -10.247 80 2HB LYS 11 HB1 LYS 11 -16.846 3.509 -11.758 81 1HG LYS 11 HG2 LYS 11 -19.314 3.734 -12.016 82 2HG LYS 11 HG1 LYS 11 -19.352 4.724 -10.557 83 1HD LYS 11 HD2 LYS 11 -18.534 6.550 -11.631 84 2HD LYS 11 HD1 LYS 11 -17.361 5.598 -12.543 85 1HE LYS 11 HE2 LYS 11 -19.375 4.749 -13.907 86 2HE LYS 11 HE1 LYS 11 -20.274 6.080 -13.177 87 1HZ LYS 11 HZ1 LYS 11 -19.309 7.514 -14.541 88 2HZ LYS 11 HZ2 LYS 11 -18.631 6.203 -15.382 89 3HZ LYS 11 HZ3 LYS 11 -17.756 6.963 -14.139 90 H GLY 12 HN GLY 12 -16.579 0.360 -9.432 91 1HA GLY 12 HA2 GLY 12 -17.152 -1.262 -11.767 92 2HA GLY 12 HA1 GLY 12 -15.498 -0.648 -11.788 93 H LEU 13 HN LEU 13 -14.103 -1.215 -9.955 94 HA LEU 13 HA LEU 13 -15.076 -3.499 -8.314 95 1HB LEU 13 HB2 LEU 13 -13.667 -4.037 -10.542 96 2HB LEU 13 HB1 LEU 13 -12.327 -3.722 -9.439 97 HG LEU 13 HG LEU 13 -13.700 -5.295 -7.819 98 1HD1 LEU 13 HD11 LEU 13 -15.587 -5.386 -9.553 99 2HD1 LEU 13 HD12 LEU 13 -15.042 -6.936 -8.913 100 3HD1 LEU 13 HD13 LEU 13 -14.514 -6.407 -10.511 101 1HD2 LEU 13 HD21 LEU 13 -12.585 -7.192 -9.558 102 2HD2 LEU 13 HD22 LEU 13 -11.765 -6.390 -8.218 103 3HD2 LEU 13 HD23 LEU 13 -11.656 -5.721 -9.846 104 H LEU 14 HN LEU 14 -12.324 -4.003 -7.390 105 HA LEU 14 HA LEU 14 -11.999 -1.546 -5.720 106 1HB LEU 14 HB2 LEU 14 -11.346 -4.447 -5.111 107 2HB LEU 14 HB1 LEU 14 -10.952 -3.095 -4.050 108 HG LEU 14 HG LEU 14 -13.764 -3.690 -5.003 109 1HD1 LEU 14 HD11 LEU 14 -12.599 -4.327 -2.283 110 2HD1 LEU 14 HD12 LEU 14 -12.702 -5.522 -3.576 111 3HD1 LEU 14 HD13 LEU 14 -14.172 -4.802 -2.922 112 1HD2 LEU 14 HD21 LEU 14 -14.118 -1.638 -4.123 113 2HD2 LEU 14 HD22 LEU 14 -12.474 -1.564 -3.488 114 3HD2 LEU 14 HD23 LEU 14 -13.749 -2.338 -2.547 115 H VAL 15 HN VAL 15 -10.211 -0.394 -6.259 116 HA VAL 15 HA VAL 15 -7.673 -1.807 -6.776 117 HB VAL 15 HB VAL 15 -7.324 -0.364 -8.865 118 1HG1 VAL 15 1HG1 VAL 15 -7.865 -2.199 -10.089 119 2HG1 VAL 15 2HG1 VAL 15 -9.548 -2.165 -9.562 120 3HG1 VAL 15 3HG1 VAL 15 -8.318 -2.906 -8.538 121 1HG2 VAL 15 1HG2 VAL 15 -9.359 1.077 -8.293 122 2HG2 VAL 15 2HG2 VAL 15 -10.349 -0.274 -8.843 123 3HG2 VAL 15 3HG2 VAL 15 -9.252 0.529 -9.966 124 H PHE 16 HN PHE 16 -5.828 -0.321 -6.651 125 HA PHE 16 HA PHE 16 -6.247 1.777 -4.701 126 1HB PHE 16 HB2 PHE 16 -3.870 0.819 -6.289 127 2HB PHE 16 HB1 PHE 16 -3.767 2.272 -5.297 128 HD1 PHE 16 HD1 PHE 16 -4.502 2.087 -2.829 129 HD2 PHE 16 HD2 PHE 16 -3.634 -1.312 -5.308 130 HE1 PHE 16 HE1 PHE 16 -4.188 0.691 -0.804 131 HE2 PHE 16 HE2 PHE 16 -3.320 -2.708 -3.283 132 HZ PHE 16 HZ PHE 16 -3.597 -1.707 -1.031 133 H GLU 17 HN GLU 17 -5.764 4.066 -5.042 134 HA GLU 17 HA GLU 17 -5.813 4.979 -7.863 135 1HB GLU 17 HB2 GLU 17 -7.851 5.718 -5.752 136 2HB GLU 17 HB1 GLU 17 -7.626 6.637 -7.241 137 1HG GLU 17 HG2 GLU 17 -8.187 4.712 -8.593 138 2HG GLU 17 HG1 GLU 17 -8.215 3.665 -7.173 139 HA PRO 18 HA PRO 18 -4.810 6.026 -8.977 140 1HB PRO 18 HB2 PRO 18 -2.203 6.597 -9.618 141 2HB PRO 18 HB1 PRO 18 -3.510 7.787 -9.691 142 1HG PRO 18 HG2 PRO 18 -1.319 7.513 -7.694 143 2HG PRO 18 HG1 PRO 18 -2.232 8.955 -8.168 144 1HD PRO 18 HD2 PRO 18 -2.639 7.432 -5.824 145 2HD PRO 18 HD1 PRO 18 -3.738 8.665 -6.475 146 H ALA 19 HN ALA 19 -3.092 4.511 -10.219 147 HA ALA 19 HA ALA 19 -2.752 2.167 -8.545 148 1HB ALA 19 HB1 ALA 19 -2.606 1.066 -10.519 149 2HB ALA 19 HB2 ALA 19 -1.346 2.144 -11.120 150 3HB ALA 19 HB3 ALA 19 -3.043 2.606 -11.259 151 H LYS 20 HN LYS 20 -0.614 4.661 -9.854 152 HA LYS 20 HA LYS 20 1.663 3.345 -8.428 153 1HB LYS 20 HB2 LYS 20 1.575 4.099 -11.045 154 2HB LYS 20 HB1 LYS 20 2.227 5.563 -10.309 155 1HG LYS 20 HG2 LYS 20 4.237 4.535 -10.347 156 2HG LYS 20 HG1 LYS 20 3.625 3.512 -9.047 157 1HD LYS 20 HD2 LYS 20 4.504 2.157 -10.924 158 2HD LYS 20 HD1 LYS 20 2.774 1.899 -10.696 159 1HE LYS 20 HE2 LYS 20 3.387 4.125 -12.510 160 2HE LYS 20 HE1 LYS 20 3.974 2.567 -13.090 161 1HZ LYS 20 HZ1 LYS 20 1.283 3.526 -12.840 162 2HZ LYS 20 HZ2 LYS 20 1.502 1.994 -12.140 163 3HZ LYS 20 HZ3 LYS 20 1.895 2.249 -13.773 164 H LEU 21 HN LEU 21 3.130 4.823 -7.255 165 HA LEU 21 HA LEU 21 2.104 7.535 -6.702 166 1HB LEU 21 HB2 LEU 21 1.016 5.731 -5.131 167 2HB LEU 21 HB1 LEU 21 2.586 5.755 -4.328 168 HG LEU 21 HG LEU 21 2.301 8.341 -4.344 169 1HD1 LEU 21 HD11 LEU 21 -0.321 8.705 -4.051 170 2HD1 LEU 21 HD12 LEU 21 -0.395 7.333 -5.157 171 3HD1 LEU 21 HD13 LEU 21 0.442 8.810 -5.637 172 1HD2 LEU 21 HD21 LEU 21 1.162 8.248 -2.200 173 2HD2 LEU 21 HD22 LEU 21 2.188 6.820 -2.341 174 3HD2 LEU 21 HD23 LEU 21 0.450 6.685 -2.602 175 H THR 22 HN THR 22 3.992 8.615 -7.122 176 HA THR 22 HA THR 22 6.586 7.469 -6.377 177 HB THR 22 HB THR 22 5.808 10.156 -7.549 178 HG1 THR 22 HG1 THR 22 7.296 8.123 -8.785 179 1HG2 THR 22 1HG2 THR 22 7.931 10.153 -6.160 180 2HG2 THR 22 2HG2 THR 22 8.148 10.589 -7.855 181 3HG2 THR 22 3HG2 THR 22 8.580 8.972 -7.298 182 H ILE 23 HN ILE 23 6.623 7.366 -4.119 183 HA ILE 23 HA ILE 23 6.097 9.851 -2.602 184 HB ILE 23 HB ILE 23 6.362 8.303 -0.608 185 1HG1 ILE 23 2HG1 ILE 23 5.852 5.889 -2.121 186 2HG1 ILE 23 1HG1 ILE 23 7.386 6.600 -2.622 187 1HG2 ILE 23 1HG2 ILE 23 4.243 8.492 -2.559 188 2HG2 ILE 23 2HG2 ILE 23 4.125 8.342 -0.806 189 3HG2 ILE 23 3HG2 ILE 23 4.234 6.896 -1.810 190 1HD1 ILE 23 HD11 ILE 23 8.186 6.638 -0.332 191 2HD1 ILE 23 HD12 ILE 23 7.608 5.011 -0.690 192 3HD1 ILE 23 HD13 ILE 23 6.615 6.109 0.268 193 H LYS 24 HN LYS 24 7.664 10.258 -0.745 194 HA LYS 24 HA LYS 24 10.405 10.154 -1.823 195 1HB LYS 24 HB2 LYS 24 9.694 11.347 0.849 196 2HB LYS 24 HB1 LYS 24 10.925 11.865 -0.301 197 1HG LYS 24 HG2 LYS 24 9.197 12.673 -1.836 198 2HG LYS 24 HG1 LYS 24 7.936 12.108 -0.740 199 1HD LYS 24 HD2 LYS 24 8.464 13.724 0.896 200 2HD LYS 24 HD1 LYS 24 10.058 14.030 0.207 201 1HE LYS 24 HE2 LYS 24 8.982 15.020 -1.800 202 2HE LYS 24 HE1 LYS 24 7.401 14.756 -1.065 203 1HZ LYS 24 HZ1 LYS 24 8.181 17.011 -0.694 204 2HZ LYS 24 HZ2 LYS 24 9.581 16.426 0.071 205 3HZ LYS 24 HZ3 LYS 24 8.055 16.174 0.776 206 HA PRO 25 HA PRO 25 11.682 6.896 0.812 207 1HB PRO 25 HB2 PRO 25 14.158 7.737 1.677 208 2HB PRO 25 HB1 PRO 25 13.835 7.139 0.040 209 1HG PRO 25 HG2 PRO 25 14.279 9.941 0.962 210 2HG PRO 25 HG1 PRO 25 14.576 9.222 -0.630 211 1HD PRO 25 HD2 PRO 25 12.373 10.846 0.059 212 2HD PRO 25 HD1 PRO 25 12.503 9.841 -1.400 213 H GLY 26 HN GLY 26 9.979 7.391 2.447 214 1HA GLY 26 HA2 GLY 26 10.306 7.154 5.006 215 2HA GLY 26 HA1 GLY 26 11.063 8.742 4.885 216 H ASP 27 HN ASP 27 8.889 9.149 2.622 217 HA ASP 27 HA ASP 27 7.146 10.798 4.105 218 1HB ASP 27 HB2 ASP 27 7.031 9.515 1.409 219 2HB ASP 27 HB1 ASP 27 5.547 10.218 2.051 220 H THR 28 HN THR 28 4.570 10.225 3.839 221 HA THR 28 HA THR 28 4.207 7.568 5.132 222 HB THR 28 HB THR 28 2.204 9.640 5.746 223 HG1 THR 28 HG1 THR 28 3.954 10.317 7.410 224 1HG2 THR 28 1HG2 THR 28 2.145 8.555 7.801 225 2HG2 THR 28 2HG2 THR 28 3.852 8.118 7.734 226 3HG2 THR 28 3HG2 THR 28 2.679 7.247 6.746 227 H VAL 29 HN VAL 29 2.516 6.319 4.334 228 HA VAL 29 HA VAL 29 0.902 7.545 2.156 229 HB VAL 29 HB VAL 29 1.416 4.593 2.324 230 1HG1 VAL 29 1HG1 VAL 29 1.445 5.168 -0.267 231 2HG1 VAL 29 2HG1 VAL 29 0.601 6.619 0.273 232 3HG1 VAL 29 3HG1 VAL 29 -0.081 5.027 0.605 233 1HG2 VAL 29 1HG2 VAL 29 3.641 4.953 2.118 234 2HG2 VAL 29 2HG2 VAL 29 3.411 6.688 1.902 235 3HG2 VAL 29 3HG2 VAL 29 3.285 5.602 0.517 236 H GLU 30 HN GLU 30 -1.316 7.298 2.290 237 HA GLU 30 HA GLU 30 -2.314 5.730 4.611 238 1HB GLU 30 HB2 GLU 30 -2.808 8.449 3.771 239 2HB GLU 30 HB1 GLU 30 -4.317 7.536 3.800 240 1HG GLU 30 HG2 GLU 30 -3.076 6.696 6.117 241 2HG GLU 30 HG1 GLU 30 -2.614 8.396 6.033 242 H PHE 31 HN PHE 31 -3.564 4.017 4.109 243 HA PHE 31 HA PHE 31 -4.956 4.004 1.459 244 1HB PHE 31 HB2 PHE 31 -4.363 1.343 2.517 245 2HB PHE 31 HB1 PHE 31 -4.022 2.006 0.921 246 HD1 PHE 31 HD1 PHE 31 -1.811 2.653 0.325 247 HD2 PHE 31 HD2 PHE 31 -2.793 1.985 4.455 248 HE1 PHE 31 HE1 PHE 31 0.580 2.870 0.933 249 HE2 PHE 31 HE2 PHE 31 -0.403 2.203 5.059 250 HZ PHE 31 HZ PHE 31 1.284 2.647 3.299 251 H LEU 32 HN LEU 32 -7.039 4.471 2.176 252 HA LEU 32 HA LEU 32 -8.070 3.105 4.589 253 1HB LEU 32 HB2 LEU 32 -9.513 5.139 2.894 254 2HB LEU 32 HB1 LEU 32 -9.810 4.723 4.582 255 HG LEU 32 HG LEU 32 -7.146 5.455 4.604 256 1HD1 LEU 32 HD11 LEU 32 -7.815 6.293 2.166 257 2HD1 LEU 32 HD12 LEU 32 -6.754 7.251 3.198 258 3HD1 LEU 32 HD13 LEU 32 -8.464 7.660 3.071 259 1HD2 LEU 32 HD21 LEU 32 -9.732 6.841 5.251 260 2HD2 LEU 32 HD22 LEU 32 -8.213 7.718 5.433 261 3HD2 LEU 32 HD23 LEU 32 -8.491 6.235 6.347 262 H ASN 33 HN ASN 33 -10.550 2.588 4.339 263 HA ASN 33 HA ASN 33 -10.733 0.659 2.095 264 1HB ASN 33 HB2 ASN 33 -12.063 -0.628 3.479 265 2HB ASN 33 HB1 ASN 33 -11.153 0.249 4.703 266 1HD2 ASN 33 HD21 ASN 33 -13.749 -0.838 5.180 267 2HD2 ASN 33 HD22 ASN 33 -14.797 0.453 5.476 268 H ASN 34 HN ASN 34 -12.923 0.442 1.035 269 HA ASN 34 HA ASN 34 -14.130 3.153 0.662 270 1HB ASN 34 HB2 ASN 34 -13.171 2.283 -1.398 271 2HB ASN 34 HB1 ASN 34 -14.025 0.754 -1.191 272 1HD2 ASN 34 HD21 ASN 34 -15.257 1.033 -3.190 273 2HD2 ASN 34 HD22 ASN 34 -16.493 2.190 -3.311 274 H LYS 35 HN LYS 35 -15.495 0.038 -0.278 275 HA LYS 35 HA LYS 35 -17.438 0.117 1.931 276 1HB LYS 35 HB2 LYS 35 -19.391 0.121 0.422 277 2HB LYS 35 HB1 LYS 35 -18.452 1.602 0.228 278 1HG LYS 35 HG2 LYS 35 -17.519 0.885 -1.818 279 2HG LYS 35 HG1 LYS 35 -17.948 -0.800 -1.523 280 1HD LYS 35 HD2 LYS 35 -20.209 1.121 -1.577 281 2HD LYS 35 HD1 LYS 35 -19.404 0.833 -3.120 282 1HE LYS 35 HE2 LYS 35 -19.615 -1.673 -2.563 283 2HE LYS 35 HE1 LYS 35 -20.759 -1.174 -1.317 284 1HZ LYS 35 HZ1 LYS 35 -22.291 -0.559 -2.834 285 2HZ LYS 35 HZ2 LYS 35 -21.486 -1.703 -3.798 286 3HZ LYS 35 HZ3 LYS 35 -21.143 -0.048 -3.974 287 H VAL 36 HN VAL 36 -15.320 -1.647 0.935 288 HA VAL 36 HA VAL 36 -16.911 -4.140 0.857 289 HB VAL 36 HB VAL 36 -14.672 -3.760 -1.133 290 1HG1 VAL 36 1HG1 VAL 36 -16.985 -5.679 -0.794 291 2HG1 VAL 36 2HG1 VAL 36 -15.261 -6.048 -0.777 292 3HG1 VAL 36 3HG1 VAL 36 -16.048 -5.578 -2.284 293 1HG2 VAL 36 1HG2 VAL 36 -16.164 -2.070 -1.846 294 2HG2 VAL 36 2HG2 VAL 36 -17.584 -3.005 -1.378 295 3HG2 VAL 36 3HG2 VAL 36 -16.646 -3.477 -2.794 296 HA PRO 37 HA PRO 37 -12.897 -4.124 3.289 297 1HB PRO 37 HB2 PRO 37 -14.034 -4.161 5.792 298 2HB PRO 37 HB1 PRO 37 -13.586 -2.673 4.943 299 1HG PRO 37 HG2 PRO 37 -16.295 -3.843 5.387 300 2HG PRO 37 HG1 PRO 37 -15.829 -2.149 5.159 301 1HD PRO 37 HD2 PRO 37 -16.976 -3.817 3.191 302 2HD PRO 37 HD1 PRO 37 -16.172 -2.261 2.900 303 HA PRO 38 HA PRO 38 -12.238 -4.594 5.521 304 1HB PRO 38 HB2 PRO 38 -10.402 -6.344 6.562 305 2HB PRO 38 HB1 PRO 38 -11.949 -5.987 7.350 306 1HG PRO 38 HG2 PRO 38 -11.120 -8.444 5.896 307 2HG PRO 38 HG1 PRO 38 -12.366 -8.243 7.138 308 1HD PRO 38 HD2 PRO 38 -12.781 -8.435 4.318 309 2HD PRO 38 HD1 PRO 38 -13.999 -8.051 5.552 310 H HIS 39 HN HIS 39 -9.958 -3.950 5.121 311 HA HIS 39 HA HIS 39 -8.831 -5.247 2.671 312 1HB HIS 39 HB2 HIS 39 -8.858 -2.328 3.481 313 2HB HIS 39 HB1 HIS 39 -7.871 -2.965 2.164 314 HD2 HIS 39 HD2 HIS 39 -11.733 -2.675 3.033 315 HE1 HIS 39 HE1 HIS 39 -11.306 -3.173 -1.133 316 HE2 HIS 39 HE2 HIS 39 -12.960 -2.837 0.751 317 H ASN 40 HN ASN 40 -6.631 -5.653 2.667 318 HA ASN 40 HA ASN 40 -5.094 -4.833 5.091 319 1HB ASN 40 HB2 ASN 40 -4.833 -7.537 3.751 320 2HB ASN 40 HB1 ASN 40 -4.127 -7.022 5.283 321 1HD2 ASN 40 HD21 ASN 40 -6.580 -5.639 6.215 322 2HD2 ASN 40 HD22 ASN 40 -7.695 -6.858 6.602 323 H VAL 41 HN VAL 41 -3.230 -3.811 4.511 324 HA VAL 41 HA VAL 41 -2.366 -4.038 1.677 325 HB VAL 41 HB VAL 41 -2.491 -1.883 3.610 326 1HG1 VAL 41 1HG1 VAL 41 -0.105 -2.307 4.004 327 2HG1 VAL 41 2HG1 VAL 41 -0.310 -0.820 3.078 328 3HG1 VAL 41 3HG1 VAL 41 0.198 -2.301 2.266 329 1HG2 VAL 41 1HG2 VAL 41 -2.501 -2.368 0.744 330 2HG2 VAL 41 2HG2 VAL 41 -1.583 -0.918 1.148 331 3HG2 VAL 41 3HG2 VAL 41 -3.264 -1.068 1.660 332 H VAL 42 HN VAL 42 -0.412 -4.934 1.144 333 HA VAL 42 HA VAL 42 1.516 -5.534 3.325 334 HB VAL 42 HB VAL 42 0.885 -7.640 1.270 335 1HG1 VAL 42 1HG1 VAL 42 1.455 -8.639 3.873 336 2HG1 VAL 42 2HG1 VAL 42 2.611 -7.350 3.545 337 3HG1 VAL 42 3HG1 VAL 42 2.479 -8.715 2.439 338 1HG2 VAL 42 1HG2 VAL 42 -1.266 -7.498 2.134 339 2HG2 VAL 42 2HG2 VAL 42 -0.712 -6.872 3.687 340 3HG2 VAL 42 3HG2 VAL 42 -0.529 -8.585 3.310 341 H PHE 43 HN PHE 43 3.569 -6.590 2.146 342 HA PHE 43 HA PHE 43 3.988 -5.230 -0.470 343 1HB PHE 43 HB2 PHE 43 5.995 -5.115 1.799 344 2HB PHE 43 HB1 PHE 43 6.060 -4.248 0.262 345 HD1 PHE 43 HD1 PHE 43 4.130 -4.615 3.417 346 HD2 PHE 43 HD2 PHE 43 4.926 -2.174 -0.025 347 HE1 PHE 43 HE1 PHE 43 2.812 -2.773 4.419 348 HE2 PHE 43 HE2 PHE 43 3.606 -0.331 0.983 349 HZ PHE 43 HZ PHE 43 2.560 -0.631 3.210 350 H ASP 44 HN ASP 44 4.714 -6.728 -1.876 351 HA ASP 44 HA ASP 44 5.399 -9.380 -1.234 352 1HB ASP 44 HB2 ASP 44 4.937 -8.138 -3.544 353 2HB ASP 44 HB1 ASP 44 6.698 -8.103 -3.603 354 H ALA 45 HN ALA 45 7.847 -9.994 -2.372 355 HA ALA 45 HA ALA 45 9.888 -8.382 -0.986 356 1HB ALA 45 HB1 ALA 45 10.773 -10.770 -0.172 357 2HB ALA 45 HB2 ALA 45 9.049 -11.140 -0.214 358 3HB ALA 45 HB3 ALA 45 9.644 -9.825 0.800 359 H ALA 46 HN ALA 46 9.135 -9.171 -3.801 360 HA ALA 46 HA ALA 46 11.732 -10.464 -4.537 361 1HB ALA 46 HB1 ALA 46 10.601 -11.306 -6.559 362 2HB ALA 46 HB2 ALA 46 9.098 -10.542 -6.041 363 3HB ALA 46 HB3 ALA 46 9.780 -11.872 -5.104 364 H LEU 47 HN LEU 47 9.880 -7.638 -4.665 365 HA LEU 47 HA LEU 47 11.386 -6.670 -7.060 366 1HB LEU 47 HB2 LEU 47 8.910 -5.465 -5.784 367 2HB LEU 47 HB1 LEU 47 9.663 -4.966 -7.299 368 HG LEU 47 HG LEU 47 8.906 -7.836 -7.054 369 1HD1 LEU 47 HD11 LEU 47 6.665 -7.538 -6.927 370 2HD1 LEU 47 HD12 LEU 47 6.708 -6.167 -8.036 371 3HD1 LEU 47 HD13 LEU 47 7.036 -5.924 -6.321 372 1HD2 LEU 47 HD21 LEU 47 8.081 -6.297 -9.401 373 2HD2 LEU 47 HD22 LEU 47 9.115 -7.722 -9.307 374 3HD2 LEU 47 HD23 LEU 47 9.801 -6.117 -9.056 375 H ASN 48 HN ASN 48 12.982 -6.739 -4.935 376 HA ASN 48 HA ASN 48 12.938 -3.951 -3.847 377 1HB ASN 48 HB2 ASN 48 14.471 -5.125 -2.037 378 2HB ASN 48 HB1 ASN 48 12.714 -5.229 -1.917 379 1HD2 ASN 48 HD21 ASN 48 13.039 -7.332 -0.749 380 2HD2 ASN 48 HD22 ASN 48 13.383 -8.736 -1.639 381 HA PRO 49 HA PRO 49 16.857 -3.439 -5.762 382 1HB PRO 49 HB2 PRO 49 17.825 -1.412 -4.176 383 2HB PRO 49 HB1 PRO 49 16.576 -1.180 -5.412 384 1HG PRO 49 HG2 PRO 49 16.287 -1.267 -2.444 385 2HG PRO 49 HG1 PRO 49 15.278 -0.445 -3.646 386 1HD PRO 49 HD2 PRO 49 14.661 -2.890 -2.362 387 2HD PRO 49 HD1 PRO 49 13.846 -2.229 -3.796 388 H ALA 50 HN ALA 50 16.607 -4.258 -2.382 389 HA ALA 50 HA ALA 50 19.432 -5.225 -2.471 390 1HB ALA 50 HB1 ALA 50 19.301 -4.864 0.106 391 2HB ALA 50 HB2 ALA 50 17.948 -3.798 -0.271 392 3HB ALA 50 HB3 ALA 50 19.549 -3.454 -0.924 393 H LYS 51 HN LYS 51 16.902 -6.582 -3.099 394 HA LYS 51 HA LYS 51 15.619 -8.473 -2.434 395 1HB LYS 51 HB2 LYS 51 17.463 -10.315 -1.743 396 2HB LYS 51 HB1 LYS 51 17.215 -9.797 -3.410 397 1HG LYS 51 HG2 LYS 51 19.032 -8.197 -3.242 398 2HG LYS 51 HG1 LYS 51 19.215 -8.528 -1.519 399 1HD LYS 51 HD2 LYS 51 20.838 -9.959 -2.272 400 2HD LYS 51 HD1 LYS 51 19.459 -11.040 -2.477 401 1HE LYS 51 HE2 LYS 51 19.632 -9.349 -4.784 402 2HE LYS 51 HE1 LYS 51 21.221 -10.054 -4.488 403 1HZ LYS 51 HZ1 LYS 51 18.660 -11.415 -5.002 404 2HZ LYS 51 HZ2 LYS 51 19.902 -12.217 -4.166 405 3HZ LYS 51 HZ3 LYS 51 20.164 -11.654 -5.747 406 H SER 52 HN SER 52 15.150 -6.933 -0.365 407 HA SER 52 HA SER 52 15.713 -8.670 2.000 408 1HB SER 52 HB2 SER 52 15.623 -5.643 2.080 409 2HB SER 52 HB1 SER 52 16.041 -6.729 3.402 410 HG SER 52 HG SER 52 17.858 -5.780 2.256 411 H ALA 53 HN ALA 53 14.097 -8.060 3.835 412 HA ALA 53 HA ALA 53 11.530 -6.987 2.858 413 1HB ALA 53 HB1 ALA 53 11.896 -9.643 2.486 414 2HB ALA 53 HB2 ALA 53 10.324 -8.934 2.853 415 3HB ALA 53 HB3 ALA 53 11.288 -9.655 4.141 416 H ASP 54 HN ASP 54 13.709 -6.743 5.094 417 HA ASP 54 HA ASP 54 12.308 -7.293 7.558 418 1HB ASP 54 HB2 ASP 54 14.067 -5.640 8.484 419 2HB ASP 54 HB1 ASP 54 14.663 -7.130 7.754 420 H LEU 55 HN LEU 55 12.247 -4.691 5.260 421 HA LEU 55 HA LEU 55 10.975 -2.831 7.160 422 1HB LEU 55 HB2 LEU 55 11.081 -1.215 5.426 423 2HB LEU 55 HB1 LEU 55 12.566 -2.149 5.255 424 HG LEU 55 HG LEU 55 10.736 -3.569 3.719 425 1HD1 LEU 55 HD11 LEU 55 9.561 -1.997 2.351 426 2HD1 LEU 55 HD12 LEU 55 10.416 -0.631 3.067 427 3HD1 LEU 55 HD13 LEU 55 9.230 -1.525 4.018 428 1HD2 LEU 55 HD21 LEU 55 12.567 -3.382 2.419 429 2HD2 LEU 55 HD22 LEU 55 13.153 -2.040 3.401 430 3HD2 LEU 55 HD23 LEU 55 12.091 -1.730 2.028 431 H ALA 56 HN ALA 56 10.055 -5.103 4.662 432 HA ALA 56 HA ALA 56 7.331 -4.073 4.430 433 1HB ALA 56 HB1 ALA 56 8.855 -6.402 3.332 434 2HB ALA 56 HB2 ALA 56 7.919 -5.173 2.481 435 3HB ALA 56 HB3 ALA 56 7.093 -6.481 3.328 436 H LYS 57 HN LYS 57 8.978 -6.554 6.316 437 HA LYS 57 HA LYS 57 6.717 -8.029 7.184 438 1HB LYS 57 HB2 LYS 57 8.132 -8.488 9.248 439 2HB LYS 57 HB1 LYS 57 8.902 -8.868 7.708 440 1HG LYS 57 HG2 LYS 57 10.374 -7.090 7.845 441 2HG LYS 57 HG1 LYS 57 9.272 -6.117 8.819 442 1HD LYS 57 HD2 LYS 57 11.230 -6.934 10.130 443 2HD LYS 57 HD1 LYS 57 9.696 -7.524 10.771 444 1HE LYS 57 HE2 LYS 57 10.247 -9.509 9.019 445 2HE LYS 57 HE1 LYS 57 11.889 -9.015 9.434 446 1HZ LYS 57 HZ1 LYS 57 11.166 -9.161 11.814 447 2HZ LYS 57 HZ2 LYS 57 11.257 -10.645 10.993 448 3HZ LYS 57 HZ3 LYS 57 9.747 -9.916 11.271 449 H SER 58 HN SER 58 7.954 -4.897 8.227 450 HA SER 58 HA SER 58 5.822 -4.796 10.312 451 1HB SER 58 HB2 SER 58 7.073 -3.030 11.342 452 2HB SER 58 HB1 SER 58 8.235 -4.284 10.920 453 HG SER 58 HG SER 58 9.191 -2.819 9.774 454 H LEU 59 HN LEU 59 6.439 -3.787 7.146 455 HA LEU 59 HA LEU 59 5.054 -1.210 7.314 456 1HB LEU 59 HB2 LEU 59 6.803 -2.171 5.518 457 2HB LEU 59 HB1 LEU 59 5.315 -2.655 4.718 458 HG LEU 59 HG LEU 59 4.499 -0.323 4.851 459 1HD1 LEU 59 HD11 LEU 59 7.212 0.113 6.130 460 2HD1 LEU 59 HD12 LEU 59 5.631 0.479 6.821 461 3HD1 LEU 59 HD13 LEU 59 6.240 1.426 5.464 462 1HD2 LEU 59 HD21 LEU 59 6.847 0.479 3.550 463 2HD2 LEU 59 HD22 LEU 59 5.452 -0.295 2.799 464 3HD2 LEU 59 HD23 LEU 59 6.811 -1.273 3.353 465 H SER 60 HN SER 60 4.254 -4.544 6.507 466 HA SER 60 HA SER 60 1.602 -3.887 5.493 467 1HB SER 60 HB2 SER 60 2.303 -6.618 6.494 468 2HB SER 60 HB1 SER 60 1.395 -6.154 5.058 469 HG SER 60 HG SER 60 4.071 -6.557 5.395 470 H HIS 61 HN HIS 61 -0.298 -3.822 6.625 471 HA HIS 61 HA HIS 61 -0.161 -4.462 9.545 472 1HB HIS 61 HB2 HIS 61 -2.243 -2.798 9.489 473 2HB HIS 61 HB1 HIS 61 -0.593 -2.187 9.593 474 HD1 HIS 61 HD1 HIS 61 0.072 -0.556 7.824 475 HD2 HIS 61 HD2 HIS 61 -3.164 -2.904 6.622 476 HE1 HIS 61 HE1 HIS 61 -0.668 0.327 5.561 477 H LYS 62 HN LYS 62 -0.941 -6.591 9.371 478 HA LYS 62 HA LYS 62 -3.099 -7.420 7.710 479 1HB LYS 62 HB2 LYS 62 -1.670 -8.519 10.071 480 2HB LYS 62 HB1 LYS 62 -3.275 -9.180 9.753 481 1HG LYS 62 HG2 LYS 62 -2.644 -10.125 7.750 482 2HG LYS 62 HG1 LYS 62 -1.437 -8.881 7.423 483 1HD LYS 62 HD2 LYS 62 0.163 -10.255 8.200 484 2HD LYS 62 HD1 LYS 62 -0.617 -10.240 9.782 485 1HE LYS 62 HE2 LYS 62 -1.420 -12.330 9.503 486 2HE LYS 62 HE1 LYS 62 -2.035 -11.950 7.895 487 1HZ LYS 62 HZ1 LYS 62 0.362 -13.303 8.642 488 2HZ LYS 62 HZ2 LYS 62 0.681 -11.996 7.603 489 3HZ LYS 62 HZ3 LYS 62 -0.400 -13.218 7.130 490 H GLN 63 HN GLN 63 -3.136 -5.434 10.478 491 HA GLN 63 HA GLN 63 -5.427 -6.046 11.896 492 1HB GLN 63 HB2 GLN 63 -3.860 -3.923 11.953 493 2HB GLN 63 HB1 GLN 63 -5.114 -3.223 10.927 494 1HG GLN 63 HG2 GLN 63 -6.798 -3.563 12.586 495 2HG GLN 63 HG1 GLN 63 -5.744 -4.608 13.540 496 1HE2 GLN 63 1HE2 GLN 63 -7.031 -1.625 13.726 497 2HE2 GLN 63 2HE2 GLN 63 -5.763 -0.780 14.474 498 H LEU 64 HN LEU 64 -7.478 -6.499 11.275 499 HA LEU 64 HA LEU 64 -8.402 -6.204 8.584 500 1HB LEU 64 HB2 LEU 64 -10.128 -6.497 11.056 501 2HB LEU 64 HB1 LEU 64 -10.541 -6.964 9.410 502 HG LEU 64 HG LEU 64 -9.902 -9.020 10.209 503 1HD1 LEU 64 HD11 LEU 64 -7.865 -9.616 9.272 504 2HD1 LEU 64 HD12 LEU 64 -7.063 -8.154 9.842 505 3HD1 LEU 64 HD13 LEU 64 -8.166 -8.075 8.469 506 1HD2 LEU 64 HD21 LEU 64 -7.572 -8.289 11.844 507 2HD2 LEU 64 HD22 LEU 64 -8.934 -9.340 12.232 508 3HD2 LEU 64 HD23 LEU 64 -9.090 -7.592 12.409 509 H LEU 65 HN LEU 65 -9.070 -4.366 7.596 510 HA LEU 65 HA LEU 65 -9.629 -1.961 9.195 511 1HB LEU 65 HB2 LEU 65 -9.417 -2.544 6.243 512 2HB LEU 65 HB1 LEU 65 -10.068 -1.010 6.819 513 HG LEU 65 HG LEU 65 -8.024 -0.531 8.031 514 1HD1 LEU 65 HD11 LEU 65 -6.089 -2.266 7.536 515 2HD1 LEU 65 HD12 LEU 65 -7.434 -3.391 7.346 516 3HD1 LEU 65 HD13 LEU 65 -7.206 -2.540 8.873 517 1HD2 LEU 65 HD21 LEU 65 -8.247 -0.597 5.289 518 2HD2 LEU 65 HD22 LEU 65 -6.759 -1.507 5.553 519 3HD2 LEU 65 HD23 LEU 65 -6.906 0.140 6.166 520 H MET 66 HN MET 66 -11.612 -2.404 10.242 521 HA MET 66 HA MET 66 -13.928 -3.122 8.526 522 1HB MET 66 HB2 MET 66 -13.235 -3.963 11.036 523 2HB MET 66 HB1 MET 66 -14.368 -2.665 11.413 524 1HG MET 66 HG2 MET 66 -15.613 -4.743 11.188 525 2HG MET 66 HG1 MET 66 -16.002 -3.699 9.821 526 1HE MET 66 HE1 MET 66 -16.464 -6.747 10.188 527 2HE MET 66 HE2 MET 66 -15.971 -7.514 8.681 528 3HE MET 66 HE3 MET 66 -16.947 -6.048 8.636 529 H SER 67 HN SER 67 -12.384 -0.361 9.653 530 HA SER 67 HA SER 67 -14.812 1.230 10.090 531 1HB SER 67 HB2 SER 67 -12.714 1.729 11.325 532 2HB SER 67 HB1 SER 67 -11.924 2.112 9.799 533 HG SER 67 HG SER 67 -13.359 3.708 11.319 534 HA PRO 68 HA PRO 68 -15.223 2.219 5.800 535 1HB PRO 68 HB2 PRO 68 -17.132 4.170 6.110 536 2HB PRO 68 HB1 PRO 68 -17.478 2.435 6.221 537 1HG PRO 68 HG2 PRO 68 -17.302 4.454 8.404 538 2HG PRO 68 HG1 PRO 68 -18.196 2.926 8.359 539 1HD PRO 68 HD2 PRO 68 -15.722 3.380 9.676 540 2HD PRO 68 HD1 PRO 68 -16.482 1.802 9.381 541 H GLY 69 HN GLY 69 -13.130 3.227 5.435 542 1HA GLY 69 HA2 GLY 69 -12.091 5.184 4.504 543 2HA GLY 69 HA1 GLY 69 -13.308 6.181 5.299 544 H GLN 70 HN GLN 70 -11.685 3.690 7.112 545 HA GLN 70 HA GLN 70 -9.874 5.721 8.327 546 1HB GLN 70 HB2 GLN 70 -12.197 5.102 9.566 547 2HB GLN 70 HB1 GLN 70 -11.178 3.804 10.189 548 1HG GLN 70 HG2 GLN 70 -9.516 5.982 10.419 549 2HG GLN 70 HG1 GLN 70 -11.095 6.691 10.762 550 1HE2 GLN 70 1HE2 GLN 70 -10.240 6.895 13.056 551 2HE2 GLN 70 2HE2 GLN 70 -10.332 5.542 14.077 552 H SER 71 HN SER 71 -8.121 4.614 7.286 553 HA SER 71 HA SER 71 -7.707 1.790 8.131 554 1HB SER 71 HB2 SER 71 -5.846 1.915 6.381 555 2HB SER 71 HB1 SER 71 -7.504 1.940 5.799 556 HG SER 71 HG SER 71 -5.558 3.891 5.755 557 H THR 72 HN THR 72 -4.971 1.599 7.945 558 HA THR 72 HA THR 72 -4.033 3.411 10.123 559 HB THR 72 HB THR 72 -3.827 1.123 10.806 560 HG1 THR 72 HG1 THR 72 -1.288 1.622 9.700 561 1HG2 THR 72 1HG2 THR 72 -4.152 -0.114 8.830 562 2HG2 THR 72 2HG2 THR 72 -2.474 -0.453 9.251 563 3HG2 THR 72 3HG2 THR 72 -2.846 0.719 7.987 564 H SER 73 HN SER 73 -2.610 4.985 9.478 565 HA SER 73 HA SER 73 -1.559 4.955 6.751 566 1HB SER 73 HB2 SER 73 -1.040 7.170 7.108 567 2HB SER 73 HB1 SER 73 -2.234 6.976 8.389 568 HG SER 73 HG SER 73 0.047 7.851 8.825 569 H THR 74 HN THR 74 0.103 3.592 6.325 570 HA THR 74 HA THR 74 2.047 2.842 8.367 571 HB THR 74 HB THR 74 2.194 2.337 5.380 572 HG1 THR 74 HG1 THR 74 0.251 1.642 6.785 573 1HG2 THR 74 1HG2 THR 74 4.242 1.671 6.231 574 2HG2 THR 74 2HG2 THR 74 3.308 0.195 6.471 575 3HG2 THR 74 3HG2 THR 74 3.579 1.297 7.822 576 H THR 75 HN THR 75 3.478 4.419 8.969 577 HA THR 75 HA THR 75 4.436 6.417 7.061 578 HB THR 75 HB THR 75 5.521 5.841 9.830 579 HG1 THR 75 HG1 THR 75 3.692 6.528 10.543 580 1HG2 THR 75 1HG2 THR 75 5.933 7.884 7.771 581 2HG2 THR 75 2HG2 THR 75 6.921 7.492 9.178 582 3HG2 THR 75 3HG2 THR 75 5.531 8.564 9.348 583 H PHE 76 HN PHE 76 5.579 5.258 5.464 584 HA PHE 76 HA PHE 76 7.335 3.140 5.728 585 1HB PHE 76 HB2 PHE 76 7.334 5.542 3.926 586 2HB PHE 76 HB1 PHE 76 8.687 4.410 3.860 587 HD1 PHE 76 HD1 PHE 76 5.077 3.703 4.573 588 HD2 PHE 76 HD2 PHE 76 8.358 3.237 1.837 589 HE1 PHE 76 HE1 PHE 76 3.726 2.134 3.212 590 HE2 PHE 76 HE2 PHE 76 7.003 1.671 0.479 591 HZ PHE 76 HZ PHE 76 4.689 1.129 1.166 592 HA PRO 77 HA PRO 77 10.699 4.492 8.178 593 1HB PRO 77 HB2 PRO 77 12.695 2.927 7.121 594 2HB PRO 77 HB1 PRO 77 11.422 2.314 8.181 595 1HG PRO 77 HG2 PRO 77 11.728 1.982 5.237 596 2HG PRO 77 HG1 PRO 77 10.912 0.929 6.405 597 1HD PRO 77 HD2 PRO 77 9.636 2.732 4.646 598 2HD PRO 77 HD1 PRO 77 8.889 1.948 6.055 599 H ALA 78 HN ALA 78 12.956 5.398 8.051 600 HA ALA 78 HA ALA 78 13.161 7.294 5.815 601 1HB ALA 78 HB1 ALA 78 14.206 8.552 7.369 602 2HB ALA 78 HB2 ALA 78 15.459 7.324 7.552 603 3HB ALA 78 HB3 ALA 78 13.994 7.243 8.531 604 H ASP 79 HN ASP 79 13.852 4.159 5.976 605 HA ASP 79 HA ASP 79 16.554 4.333 4.751 606 1HB ASP 79 HB2 ASP 79 15.011 2.249 6.173 607 2HB ASP 79 HB1 ASP 79 15.933 1.668 4.786 608 H ALA 80 HN ALA 80 13.308 4.314 3.872 609 HA ALA 80 HA ALA 80 12.860 2.708 1.712 610 1HB ALA 80 HB1 ALA 80 12.356 5.648 2.077 611 2HB ALA 80 HB2 ALA 80 11.200 4.316 2.066 612 3HB ALA 80 HB3 ALA 80 11.928 4.865 0.556 613 HA PRO 81 HA PRO 81 16.666 3.722 -0.554 614 1HB PRO 81 HB2 PRO 81 16.823 1.256 -1.763 615 2HB PRO 81 HB1 PRO 81 17.464 1.600 -0.147 616 1HG PRO 81 HG2 PRO 81 14.994 0.105 -0.909 617 2HG PRO 81 HG1 PRO 81 16.010 -0.067 0.532 618 1HD PRO 81 HD2 PRO 81 13.533 1.282 0.421 619 2HD PRO 81 HD1 PRO 81 14.730 1.416 1.727 620 H ALA 82 HN ALA 82 17.000 4.044 -2.858 621 HA ALA 82 HA ALA 82 14.641 4.722 -4.335 622 1HB ALA 82 HB1 ALA 82 16.965 5.693 -4.657 623 2HB ALA 82 HB2 ALA 82 16.127 5.256 -6.147 624 3HB ALA 82 HB3 ALA 82 17.387 4.204 -5.501 625 H GLY 83 HN GLY 83 13.233 3.147 -4.962 626 1HA GLY 83 HA2 GLY 83 13.965 1.234 -6.965 627 2HA GLY 83 HA1 GLY 83 13.824 0.422 -5.405 628 H GLU 84 HN GLU 84 12.019 -0.557 -6.959 629 HA GLU 84 HA GLU 84 9.536 1.073 -6.674 630 1HB GLU 84 HB2 GLU 84 8.587 -0.532 -8.353 631 2HB GLU 84 HB1 GLU 84 9.963 0.387 -8.967 632 1HG GLU 84 HG2 GLU 84 10.528 -2.221 -7.626 633 2HG GLU 84 HG1 GLU 84 9.826 -2.267 -9.244 634 H TYR 85 HN TYR 85 7.761 0.199 -5.579 635 HA TYR 85 HA TYR 85 8.267 -2.386 -4.156 636 1HB TYR 85 HB2 TYR 85 6.614 -0.037 -3.179 637 2HB TYR 85 HB1 TYR 85 6.987 -1.509 -2.279 638 HD1 TYR 85 HD1 TYR 85 8.635 1.359 -4.030 639 HD2 TYR 85 HD2 TYR 85 8.915 -1.613 -0.943 640 HE1 TYR 85 HE1 TYR 85 10.756 2.378 -3.242 641 HE2 TYR 85 HE2 TYR 85 11.033 -0.594 -0.152 642 HH TYR 85 HH TYR 85 12.893 1.327 -1.851 643 H THR 86 HN THR 86 6.168 -3.520 -3.557 644 HA THR 86 HA THR 86 3.905 -2.834 -5.341 645 HB THR 86 HB THR 86 5.186 -5.581 -5.335 646 HG1 THR 86 HG1 THR 86 6.459 -4.116 -6.459 647 1HG2 THR 86 1HG2 THR 86 2.896 -5.870 -5.795 648 2HG2 THR 86 2HG2 THR 86 3.620 -5.739 -7.398 649 3HG2 THR 86 3HG2 THR 86 2.792 -4.353 -6.688 650 H PHE 87 HN PHE 87 2.302 -2.681 -3.840 651 HA PHE 87 HA PHE 87 2.182 -4.744 -1.718 652 1HB PHE 87 HB2 PHE 87 0.348 -3.015 -0.864 653 2HB PHE 87 HB1 PHE 87 2.063 -2.775 -0.530 654 HD1 PHE 87 HD1 PHE 87 3.398 -1.195 -1.861 655 HD2 PHE 87 HD2 PHE 87 -0.829 -1.633 -2.450 656 HE1 PHE 87 HE1 PHE 87 3.362 0.917 -3.142 657 HE2 PHE 87 HE2 PHE 87 -0.872 0.480 -3.733 658 HZ PHE 87 HZ PHE 87 1.225 1.765 -4.084 659 H TYR 88 HN TYR 88 -0.016 -5.597 -1.208 660 HA TYR 88 HA TYR 88 -1.992 -5.295 -3.372 661 1HB TYR 88 HB2 TYR 88 -2.216 -7.771 -3.596 662 2HB TYR 88 HB1 TYR 88 -0.647 -7.178 -4.137 663 HD1 TYR 88 HD1 TYR 88 1.295 -7.213 -2.429 664 HD2 TYR 88 HD2 TYR 88 -2.353 -9.425 -1.928 665 HE1 TYR 88 HE1 TYR 88 2.424 -8.707 -0.802 666 HE2 TYR 88 HE2 TYR 88 -1.224 -10.917 -0.300 667 HH TYR 88 HH TYR 88 0.761 -11.529 0.560 668 H CYS 89 HN CYS 89 -3.776 -7.253 -2.611 669 HA CYS 89 HA CYS 89 -4.350 -6.530 0.237 670 1HB CYS 89 HB2 CYS 89 -5.849 -5.886 -2.015 671 2HB CYS 89 HB1 CYS 89 -6.670 -7.304 -1.363 672 H GLU 90 HN GLU 90 -4.984 -8.211 1.587 673 HA GLU 90 HA GLU 90 -4.416 -10.909 0.668 674 1HB GLU 90 HB2 GLU 90 -3.796 -10.575 2.900 675 2HB GLU 90 HB1 GLU 90 -5.271 -9.695 3.285 676 1HG GLU 90 HG2 GLU 90 -6.462 -11.606 3.678 677 2HG GLU 90 HG1 GLU 90 -5.661 -12.490 2.379 678 HA PRO 91 HA PRO 91 -9.145 -11.394 1.161 679 1HB PRO 91 HB2 PRO 91 -10.641 -9.097 1.366 680 2HB PRO 91 HB1 PRO 91 -10.016 -9.989 2.764 681 1HG PRO 91 HG2 PRO 91 -9.072 -7.409 1.611 682 2HG PRO 91 HG1 PRO 91 -8.925 -8.019 3.267 683 1HD PRO 91 HD2 PRO 91 -6.881 -8.004 1.306 684 2HD PRO 91 HD1 PRO 91 -6.843 -8.876 2.852 685 H HIS 92 HN HIS 92 -8.568 -8.215 -0.416 686 HA HIS 92 HA HIS 92 -10.149 -9.105 -2.751 687 1HB HIS 92 HB2 HIS 92 -8.661 -6.487 -2.486 688 2HB HIS 92 HB1 HIS 92 -10.072 -6.845 -3.483 689 HD2 HIS 92 HD2 HIS 92 -12.543 -7.130 -1.959 690 HE1 HIS 92 HE1 HIS 92 -10.991 -5.328 1.516 691 HE2 HIS 92 HE2 HIS 92 -13.092 -6.155 0.383 692 H ARG 93 HN ARG 93 -7.833 -10.633 -2.362 693 HA ARG 93 HA ARG 93 -5.520 -9.736 -3.750 694 1HB ARG 93 HB2 ARG 93 -6.424 -12.152 -2.573 695 2HB ARG 93 HB1 ARG 93 -5.965 -12.541 -4.231 696 1HG ARG 93 HG2 ARG 93 -3.790 -12.420 -3.678 697 2HG ARG 93 HG1 ARG 93 -4.006 -10.753 -3.143 698 1HD ARG 93 HD2 ARG 93 -3.517 -11.539 -1.075 699 2HD ARG 93 HD1 ARG 93 -5.155 -12.191 -1.085 700 HE ARG 93 HE ARG 93 -2.927 -13.854 -2.157 701 1HH1 ARG 93 HH21 ARG 93 -4.068 -13.200 0.865 702 2HH1 ARG 93 HH22 ARG 93 -4.654 -14.793 1.213 703 1HH2 ARG 93 HH11 ARG 93 -4.274 -15.934 -2.038 704 2HH2 ARG 93 HH12 ARG 93 -4.770 -16.339 -0.429 705 H GLY 94 HN GLY 94 -8.149 -11.835 -4.998 706 1HA GLY 94 HA2 GLY 94 -7.251 -11.393 -7.750 707 2HA GLY 94 HA1 GLY 94 -8.657 -12.338 -7.259 708 H ALA 95 HN ALA 95 -7.764 -8.916 -6.702 709 HA ALA 95 HA ALA 95 -10.206 -8.123 -8.211 710 1HB ALA 95 HB1 ALA 95 -10.633 -6.416 -6.356 711 2HB ALA 95 HB2 ALA 95 -9.504 -7.347 -5.371 712 3HB ALA 95 HB3 ALA 95 -10.992 -8.095 -5.951 713 H GLY 96 HN GLY 96 -7.453 -7.984 -8.994 714 1HA GLY 96 HA2 GLY 96 -5.838 -6.448 -9.750 715 2HA GLY 96 HA1 GLY 96 -7.239 -5.424 -10.068 716 H MET 97 HN MET 97 -6.382 -6.488 -6.830 717 HA MET 97 HA MET 97 -6.047 -3.648 -6.057 718 1HB MET 97 HB2 MET 97 -6.605 -6.211 -4.612 719 2HB MET 97 HB1 MET 97 -5.827 -4.905 -3.717 720 1HG MET 97 HG2 MET 97 -7.965 -3.788 -5.264 721 2HG MET 97 HG1 MET 97 -8.589 -5.175 -4.370 722 1HE MET 97 HE1 MET 97 -8.882 -2.151 -4.592 723 2HE MET 97 HE2 MET 97 -8.269 -1.137 -3.289 724 3HE MET 97 HE3 MET 97 -9.749 -2.063 -3.053 725 H VAL 98 HN VAL 98 -3.926 -3.805 -7.398 726 HA VAL 98 HA VAL 98 -1.735 -4.533 -5.509 727 HB VAL 98 HB VAL 98 -1.763 -5.116 -8.487 728 1HG1 VAL 98 1HG1 VAL 98 0.424 -6.085 -8.139 729 2HG1 VAL 98 2HG1 VAL 98 0.315 -5.823 -6.398 730 3HG1 VAL 98 3HG1 VAL 98 0.454 -4.445 -7.490 731 1HG2 VAL 98 1HG2 VAL 98 -2.892 -6.578 -6.396 732 2HG2 VAL 98 2HG2 VAL 98 -1.319 -7.338 -6.643 733 3HG2 VAL 98 3HG2 VAL 98 -2.457 -7.209 -7.984 734 H GLY 99 HN GLY 99 -0.807 -2.581 -5.057 735 1HA GLY 99 HA2 GLY 99 -0.574 -0.604 -7.262 736 2HA GLY 99 HA1 GLY 99 -0.601 -0.179 -5.553 737 H LYS 100 HN LYS 100 1.457 0.985 -6.404 738 HA LYS 100 HA LYS 100 3.762 -0.618 -5.559 739 1HB LYS 100 HB2 LYS 100 3.523 0.417 -8.399 740 2HB LYS 100 HB1 LYS 100 5.041 -0.111 -7.673 741 1HG LYS 100 HG2 LYS 100 3.704 -2.291 -7.105 742 2HG LYS 100 HG1 LYS 100 2.619 -1.742 -8.383 743 1HD LYS 100 HD2 LYS 100 4.822 -1.421 -9.759 744 2HD LYS 100 HD1 LYS 100 5.516 -2.528 -8.575 745 1HE LYS 100 HE2 LYS 100 4.708 -4.185 -9.887 746 2HE LYS 100 HE1 LYS 100 3.126 -3.757 -9.235 747 1HZ LYS 100 HZ1 LYS 100 3.258 -1.960 -11.120 748 2HZ LYS 100 HZ2 LYS 100 2.725 -3.539 -11.450 749 3HZ LYS 100 HZ3 LYS 100 4.318 -3.081 -11.823 750 H ILE 101 HN ILE 101 4.858 0.779 -4.253 751 HA ILE 101 HA ILE 101 4.506 3.679 -4.589 752 HB ILE 101 HB ILE 101 5.349 1.880 -2.454 753 1HG1 ILE 101 2HG1 ILE 101 4.402 4.744 -2.671 754 2HG1 ILE 101 1HG1 ILE 101 3.487 3.335 -2.135 755 1HG2 ILE 101 1HG2 ILE 101 7.000 4.407 -2.774 756 2HG2 ILE 101 2HG2 ILE 101 7.616 2.775 -3.031 757 3HG2 ILE 101 3HG2 ILE 101 7.071 3.269 -1.429 758 1HD1 ILE 101 HD11 ILE 101 5.139 5.120 -0.572 759 2HD1 ILE 101 HD12 ILE 101 5.758 3.473 -0.454 760 3HD1 ILE 101 HD13 ILE 101 4.086 3.819 -0.016 761 H THR 102 HN THR 102 6.143 5.103 -5.275 762 HA THR 102 HA THR 102 8.590 3.781 -6.379 763 HB THR 102 HB THR 102 7.703 6.371 -7.533 764 HG1 THR 102 HG1 THR 102 6.279 3.951 -7.720 765 1HG2 THR 102 1HG2 THR 102 8.783 3.752 -8.602 766 2HG2 THR 102 2HG2 THR 102 9.662 5.270 -8.419 767 3HG2 THR 102 3HG2 THR 102 8.378 5.133 -9.621 768 H VAL 103 HN VAL 103 9.948 4.233 -4.625 769 HA VAL 103 HA VAL 103 10.123 7.061 -3.727 770 HB VAL 103 HB VAL 103 11.714 4.814 -2.526 771 1HG1 VAL 103 1HG1 VAL 103 12.096 6.357 -0.928 772 2HG1 VAL 103 2HG1 VAL 103 10.373 6.690 -0.760 773 3HG1 VAL 103 3HG1 VAL 103 11.319 7.537 -1.983 774 1HG2 VAL 103 1HG2 VAL 103 8.746 5.318 -2.255 775 2HG2 VAL 103 2HG2 VAL 103 9.669 4.556 -0.960 776 3HG2 VAL 103 3HG2 VAL 103 9.573 3.788 -2.544 777 H ALA 104 HN ALA 104 11.841 8.318 -4.301 778 HA ALA 104 HA ALA 104 13.887 7.135 -6.076 779 1HB ALA 104 HB1 ALA 104 12.802 9.278 -6.700 780 2HB ALA 104 HB2 ALA 104 14.543 9.469 -6.494 781 3HB ALA 104 HB3 ALA 104 13.441 10.016 -5.231 782 H GLY 105 HN GLY 105 16.156 8.482 -5.610 783 1HA GLY 105 HA2 GLY 105 16.738 8.219 -2.696 784 2HA GLY 105 HA1 GLY 105 17.760 7.383 -3.867 Start of MODEL 8 1 1H GLU 1 HT1 GLU 1 1.648 17.753 1.513 2 2H GLU 1 HT2 GLU 1 3.242 18.333 1.592 3 3H GLU 1 HT3 GLU 1 2.731 17.100 2.643 4 HA GLU 1 HA GLU 1 2.561 16.650 -0.253 5 1HB GLU 1 HB2 GLU 1 4.949 15.586 0.164 6 2HB GLU 1 HB1 GLU 1 4.797 17.288 -0.275 7 1HG GLU 1 HG2 GLU 1 5.047 17.993 1.999 8 2HG GLU 1 HG1 GLU 1 4.864 16.344 2.599 9 H THR 2 HN THR 2 0.760 15.377 0.848 10 HA THR 2 HA THR 2 1.868 12.849 2.006 11 HB THR 2 HB THR 2 -0.989 13.644 2.424 12 HG1 THR 2 HG1 THR 2 0.118 14.576 4.474 13 1HG2 THR 2 1HG2 THR 2 -0.031 12.655 4.763 14 2HG2 THR 2 2HG2 THR 2 1.058 11.868 3.620 15 3HG2 THR 2 3HG2 THR 2 -0.685 11.641 3.476 16 H TYR 3 HN TYR 3 1.357 10.981 0.927 17 HA TYR 3 HA TYR 3 -0.262 11.256 -1.540 18 1HB TYR 3 HB2 TYR 3 1.555 9.064 -0.505 19 2HB TYR 3 HB1 TYR 3 0.623 8.931 -1.996 20 HD1 TYR 3 HD1 TYR 3 1.089 10.427 -3.915 21 HD2 TYR 3 HD2 TYR 3 3.484 10.514 -0.350 22 HE1 TYR 3 HE1 TYR 3 2.844 11.697 -5.124 23 HE2 TYR 3 HE2 TYR 3 5.239 11.782 -1.560 24 HH TYR 3 HH TYR 3 5.732 11.898 -4.491 25 H THR 4 HN THR 4 -2.239 10.252 -1.794 26 HA THR 4 HA THR 4 -3.163 8.498 0.446 27 HB THR 4 HB THR 4 -5.186 10.114 -1.010 28 HG1 THR 4 HG1 THR 4 -4.611 11.800 0.663 29 1HG2 THR 4 1HG2 THR 4 -4.955 9.993 1.952 30 2HG2 THR 4 2HG2 THR 4 -5.272 8.471 1.119 31 3HG2 THR 4 3HG2 THR 4 -6.380 9.829 0.926 32 H VAL 5 HN VAL 5 -3.081 6.514 -0.575 33 HA VAL 5 HA VAL 5 -4.063 6.269 -3.347 34 HB VAL 5 HB VAL 5 -3.081 4.112 -3.331 35 1HG1 VAL 5 1HG1 VAL 5 -1.575 6.257 -2.874 36 2HG1 VAL 5 2HG1 VAL 5 -0.869 4.642 -2.925 37 3HG1 VAL 5 3HG1 VAL 5 -1.231 5.399 -1.373 38 1HG2 VAL 5 1HG2 VAL 5 -3.501 2.798 -1.540 39 2HG2 VAL 5 2HG2 VAL 5 -3.832 4.200 -0.523 40 3HG2 VAL 5 3HG2 VAL 5 -2.176 3.626 -0.722 41 H LYS 6 HN LYS 6 -6.127 7.026 -1.678 42 HA LYS 6 HA LYS 6 -7.609 5.102 -0.313 43 1HB LYS 6 HB2 LYS 6 -8.331 7.446 -0.519 44 2HB LYS 6 HB1 LYS 6 -8.677 7.197 -2.231 45 1HG LYS 6 HG2 LYS 6 -10.017 5.127 -0.846 46 2HG LYS 6 HG1 LYS 6 -10.348 6.613 0.044 47 1HD LYS 6 HD2 LYS 6 -10.661 7.513 -2.492 48 2HD LYS 6 HD1 LYS 6 -11.160 5.833 -2.700 49 1HE LYS 6 HE2 LYS 6 -13.137 7.055 -2.110 50 2HE LYS 6 HE1 LYS 6 -12.662 6.150 -0.673 51 1HZ LYS 6 HZ1 LYS 6 -11.294 8.377 -0.287 52 2HZ LYS 6 HZ2 LYS 6 -12.885 8.168 0.273 53 3HZ LYS 6 HZ3 LYS 6 -12.594 9.016 -1.170 54 H LEU 7 HN LEU 7 -7.381 3.021 -1.252 55 HA LEU 7 HA LEU 7 -7.730 2.330 -3.949 56 1HB LEU 7 HB2 LEU 7 -8.685 0.123 -2.820 57 2HB LEU 7 HB1 LEU 7 -6.979 0.530 -2.708 58 HG LEU 7 HG LEU 7 -8.685 1.729 -0.614 59 1HD1 LEU 7 HD11 LEU 7 -8.836 -0.380 0.667 60 2HD1 LEU 7 HD12 LEU 7 -8.173 -1.261 -0.710 61 3HD1 LEU 7 HD13 LEU 7 -9.752 -0.485 -0.836 62 1HD2 LEU 7 HD21 LEU 7 -6.772 1.324 0.725 63 2HD2 LEU 7 HD22 LEU 7 -6.107 1.691 -0.867 64 3HD2 LEU 7 HD23 LEU 7 -6.213 0.018 -0.321 65 H GLY 8 HN GLY 8 -9.680 1.007 -4.781 66 1HA GLY 8 HA2 GLY 8 -11.989 0.844 -5.226 67 2HA GLY 8 HA1 GLY 8 -12.296 1.643 -3.684 68 H SER 9 HN SER 9 -12.759 2.034 -6.898 69 HA SER 9 HA SER 9 -11.977 4.776 -7.317 70 1HB SER 9 HB2 SER 9 -13.728 4.635 -9.178 71 2HB SER 9 HB1 SER 9 -12.415 3.463 -9.260 72 HG SER 9 HG SER 9 -14.008 2.082 -9.312 73 H ASP 10 HN ASP 10 -15.325 3.539 -7.099 74 HA ASP 10 HA ASP 10 -16.136 5.188 -4.927 75 1HB ASP 10 HB2 ASP 10 -15.592 6.765 -7.096 76 2HB ASP 10 HB1 ASP 10 -17.307 6.433 -7.339 77 H LYS 11 HN LYS 11 -17.450 4.385 -8.168 78 HA LYS 11 HA LYS 11 -19.459 2.656 -6.815 79 1HB LYS 11 HB2 LYS 11 -20.271 5.087 -7.421 80 2HB LYS 11 HB1 LYS 11 -20.333 4.446 -9.063 81 1HG LYS 11 HG2 LYS 11 -22.010 2.923 -8.557 82 2HG LYS 11 HG1 LYS 11 -21.570 2.850 -6.850 83 1HD LYS 11 HD2 LYS 11 -23.685 4.073 -7.144 84 2HD LYS 11 HD1 LYS 11 -22.426 5.150 -6.538 85 1HE LYS 11 HE2 LYS 11 -22.349 5.102 -9.420 86 2HE LYS 11 HE1 LYS 11 -23.984 5.481 -8.876 87 1HZ LYS 11 HZ1 LYS 11 -22.789 7.074 -7.275 88 2HZ LYS 11 HZ2 LYS 11 -22.953 7.530 -8.904 89 3HZ LYS 11 HZ3 LYS 11 -21.472 6.923 -8.333 90 H GLY 12 HN GLY 12 -17.139 1.846 -8.248 91 1HA GLY 12 HA2 GLY 12 -18.454 0.467 -10.536 92 2HA GLY 12 HA1 GLY 12 -16.917 1.289 -10.812 93 H LEU 13 HN LEU 13 -15.012 0.317 -10.084 94 HA LEU 13 HA LEU 13 -15.355 -2.396 -8.866 95 1HB LEU 13 HB2 LEU 13 -13.520 -1.346 -10.994 96 2HB LEU 13 HB1 LEU 13 -12.966 -2.670 -9.967 97 HG LEU 13 HG LEU 13 -15.711 -2.926 -11.078 98 1HD1 LEU 13 HD11 LEU 13 -14.329 -2.005 -12.972 99 2HD1 LEU 13 HD12 LEU 13 -14.939 -3.634 -13.263 100 3HD1 LEU 13 HD13 LEU 13 -13.256 -3.393 -12.795 101 1HD2 LEU 13 HD21 LEU 13 -15.166 -4.877 -10.011 102 2HD2 LEU 13 HD22 LEU 13 -13.433 -4.611 -10.198 103 3HD2 LEU 13 HD23 LEU 13 -14.376 -5.253 -11.542 104 H LEU 14 HN LEU 14 -13.281 -3.082 -7.666 105 HA LEU 14 HA LEU 14 -12.446 -0.806 -5.942 106 1HB LEU 14 HB2 LEU 14 -12.398 -3.809 -5.558 107 2HB LEU 14 HB1 LEU 14 -11.602 -2.694 -4.447 108 HG LEU 14 HG LEU 14 -14.504 -2.350 -5.194 109 1HD1 LEU 14 HD11 LEU 14 -13.697 -4.664 -4.085 110 2HD1 LEU 14 HD12 LEU 14 -15.207 -3.878 -3.623 111 3HD1 LEU 14 HD13 LEU 14 -13.766 -3.674 -2.627 112 1HD2 LEU 14 HD21 LEU 14 -14.566 -0.889 -3.373 113 2HD2 LEU 14 HD22 LEU 14 -12.927 -0.624 -3.966 114 3HD2 LEU 14 HD23 LEU 14 -13.202 -1.669 -2.573 115 H VAL 15 HN VAL 15 -10.466 0.055 -6.365 116 HA VAL 15 HA VAL 15 -8.187 -1.690 -6.949 117 HB VAL 15 HB VAL 15 -7.708 -0.227 -9.069 118 1HG1 VAL 15 1HG1 VAL 15 -9.938 -2.081 -9.663 119 2HG1 VAL 15 2HG1 VAL 15 -8.633 -2.764 -8.691 120 3HG1 VAL 15 3HG1 VAL 15 -8.284 -2.075 -10.277 121 1HG2 VAL 15 1HG2 VAL 15 -10.591 -0.224 -9.604 122 2HG2 VAL 15 2HG2 VAL 15 -9.396 1.040 -9.896 123 3HG2 VAL 15 3HG2 VAL 15 -10.137 0.878 -8.304 124 H PHE 16 HN PHE 16 -6.212 -0.625 -6.533 125 HA PHE 16 HA PHE 16 -6.238 1.590 -4.768 126 1HB PHE 16 HB2 PHE 16 -4.144 0.209 -6.396 127 2HB PHE 16 HB1 PHE 16 -3.742 1.778 -5.698 128 HD1 PHE 16 HD1 PHE 16 -5.481 -1.396 -4.677 129 HD2 PHE 16 HD2 PHE 16 -2.804 1.776 -3.573 130 HE1 PHE 16 HE1 PHE 16 -5.118 -2.469 -2.471 131 HE2 PHE 16 HE2 PHE 16 -2.443 0.704 -1.367 132 HZ PHE 16 HZ PHE 16 -3.599 -1.419 -0.816 133 H GLU 17 HN GLU 17 -5.580 3.823 -5.157 134 HA GLU 17 HA GLU 17 -5.607 4.705 -7.985 135 1HB GLU 17 HB2 GLU 17 -7.687 5.318 -5.933 136 2HB GLU 17 HB1 GLU 17 -7.214 6.612 -7.035 137 1HG GLU 17 HG2 GLU 17 -7.675 5.143 -8.964 138 2HG GLU 17 HG1 GLU 17 -8.152 3.849 -7.864 139 HA PRO 18 HA PRO 18 -4.437 5.531 -9.093 140 1HB PRO 18 HB2 PRO 18 -1.781 5.854 -9.693 141 2HB PRO 18 HB1 PRO 18 -2.981 7.144 -9.851 142 1HG PRO 18 HG2 PRO 18 -0.859 6.783 -7.794 143 2HG PRO 18 HG1 PRO 18 -1.641 8.272 -8.350 144 1HD PRO 18 HD2 PRO 18 -2.215 6.882 -5.953 145 2HD PRO 18 HD1 PRO 18 -3.185 8.186 -6.668 146 H ALA 19 HN ALA 19 -3.034 3.729 -10.202 147 HA ALA 19 HA ALA 19 -2.807 1.503 -8.380 148 1HB ALA 19 HB1 ALA 19 -1.522 0.609 -10.586 149 2HB ALA 19 HB2 ALA 19 -2.401 1.968 -11.288 150 3HB ALA 19 HB3 ALA 19 -3.281 0.678 -10.468 151 H LYS 20 HN LYS 20 -0.306 3.028 -10.443 152 HA LYS 20 HA LYS 20 1.782 2.009 -8.616 153 1HB LYS 20 HB2 LYS 20 1.926 3.555 -11.223 154 2HB LYS 20 HB1 LYS 20 3.339 3.027 -10.308 155 1HG LYS 20 HG2 LYS 20 3.156 0.909 -11.071 156 2HG LYS 20 HG1 LYS 20 1.427 0.859 -10.726 157 1HD LYS 20 HD2 LYS 20 0.875 1.870 -12.811 158 2HD LYS 20 HD1 LYS 20 2.546 2.357 -13.100 159 1HE LYS 20 HE2 LYS 20 1.996 0.394 -14.465 160 2HE LYS 20 HE1 LYS 20 3.201 -0.032 -13.249 161 1HZ LYS 20 HZ1 LYS 20 0.312 -0.385 -12.741 162 2HZ LYS 20 HZ2 LYS 20 1.626 -1.126 -11.960 163 3HZ LYS 20 HZ3 LYS 20 1.214 -1.576 -13.545 164 H LEU 21 HN LEU 21 3.309 3.493 -7.582 165 HA LEU 21 HA LEU 21 2.517 6.349 -7.547 166 1HB LEU 21 HB2 LEU 21 1.850 4.465 -5.467 167 2HB LEU 21 HB1 LEU 21 2.971 5.675 -4.841 168 HG LEU 21 HG LEU 21 0.492 6.377 -6.432 169 1HD1 LEU 21 HD11 LEU 21 -0.743 6.046 -4.581 170 2HD1 LEU 21 HD12 LEU 21 0.320 7.118 -3.669 171 3HD1 LEU 21 HD13 LEU 21 0.676 5.393 -3.761 172 1HD2 LEU 21 HD21 LEU 21 1.431 8.428 -6.410 173 2HD2 LEU 21 HD22 LEU 21 2.788 7.828 -5.456 174 3HD2 LEU 21 HD23 LEU 21 1.334 8.417 -4.649 175 H THR 22 HN THR 22 4.272 7.672 -7.296 176 HA THR 22 HA THR 22 6.875 6.348 -6.667 177 HB THR 22 HB THR 22 6.430 8.977 -8.114 178 HG1 THR 22 HG1 THR 22 7.139 6.485 -9.242 179 1HG2 THR 22 1HG2 THR 22 8.639 8.559 -6.962 180 2HG2 THR 22 2HG2 THR 22 8.757 8.794 -8.706 181 3HG2 THR 22 3HG2 THR 22 8.855 7.169 -8.025 182 H ILE 23 HN ILE 23 6.952 6.608 -4.441 183 HA ILE 23 HA ILE 23 6.465 9.318 -3.348 184 HB ILE 23 HB ILE 23 6.584 8.125 -1.119 185 1HG1 ILE 23 2HG1 ILE 23 6.003 5.503 -2.104 186 2HG1 ILE 23 1HG1 ILE 23 7.525 6.026 -2.821 187 1HG2 ILE 23 1HG2 ILE 23 4.451 6.604 -2.237 188 2HG2 ILE 23 2HG2 ILE 23 4.544 8.126 -3.124 189 3HG2 ILE 23 3HG2 ILE 23 4.355 8.137 -1.370 190 1HD1 ILE 23 HD11 ILE 23 7.567 4.859 -0.480 191 2HD1 ILE 23 HD12 ILE 23 7.044 6.434 0.117 192 3HD1 ILE 23 HD13 ILE 23 8.574 6.282 -0.746 193 H LYS 24 HN LYS 24 7.987 9.703 -1.329 194 HA LYS 24 HA LYS 24 10.760 9.399 -2.355 195 1HB LYS 24 HB2 LYS 24 9.298 11.511 -0.995 196 2HB LYS 24 HB1 LYS 24 10.772 11.103 -0.119 197 1HG LYS 24 HG2 LYS 24 11.500 12.717 -1.672 198 2HG LYS 24 HG1 LYS 24 11.919 11.189 -2.449 199 1HD LYS 24 HD2 LYS 24 9.500 11.384 -3.475 200 2HD LYS 24 HD1 LYS 24 9.698 13.098 -3.106 201 1HE LYS 24 HE2 LYS 24 10.786 13.235 -5.087 202 2HE LYS 24 HE1 LYS 24 12.124 12.433 -4.263 203 1HZ LYS 24 HZ1 LYS 24 11.047 11.443 -6.433 204 2HZ LYS 24 HZ2 LYS 24 9.969 10.759 -5.312 205 3HZ LYS 24 HZ3 LYS 24 11.634 10.440 -5.198 206 HA PRO 25 HA PRO 25 11.925 6.865 1.022 207 1HB PRO 25 HB2 PRO 25 14.291 7.976 1.880 208 2HB PRO 25 HB1 PRO 25 14.126 7.060 0.372 209 1HG PRO 25 HG2 PRO 25 14.395 10.005 0.758 210 2HG PRO 25 HG1 PRO 25 14.852 9.010 -0.634 211 1HD PRO 25 HD2 PRO 25 12.537 10.624 -0.445 212 2HD PRO 25 HD1 PRO 25 12.835 9.370 -1.668 213 H GLY 26 HN GLY 26 10.033 7.715 2.343 214 1HA GLY 26 HA2 GLY 26 10.173 7.988 4.933 215 2HA GLY 26 HA1 GLY 26 10.913 9.539 4.540 216 H ASP 27 HN ASP 27 8.907 9.366 2.087 217 HA ASP 27 HA ASP 27 7.030 11.239 3.058 218 1HB ASP 27 HB2 ASP 27 7.045 9.347 0.719 219 2HB ASP 27 HB1 ASP 27 5.602 10.301 1.068 220 H THR 28 HN THR 28 4.495 10.573 2.850 221 HA THR 28 HA THR 28 4.112 8.142 4.525 222 HB THR 28 HB THR 28 2.642 10.779 4.786 223 HG1 THR 28 HG1 THR 28 3.920 10.032 6.984 224 1HG2 THR 28 1HG2 THR 28 2.377 8.973 7.011 225 2HG2 THR 28 2HG2 THR 28 1.914 8.143 5.525 226 3HG2 THR 28 3HG2 THR 28 1.113 9.646 5.981 227 H VAL 29 HN VAL 29 2.973 6.711 3.295 228 HA VAL 29 HA VAL 29 0.983 7.784 1.373 229 HB VAL 29 HB VAL 29 1.834 4.907 1.443 230 1HG1 VAL 29 1HG1 VAL 29 1.717 6.037 -1.157 231 2HG1 VAL 29 2HG1 VAL 29 0.325 6.661 -0.273 232 3HG1 VAL 29 3HG1 VAL 29 0.569 4.920 -0.418 233 1HG2 VAL 29 1HG2 VAL 29 3.620 5.740 -0.282 234 2HG2 VAL 29 2HG2 VAL 29 3.984 5.850 1.439 235 3HG2 VAL 29 3HG2 VAL 29 3.457 7.283 0.555 236 H GLU 30 HN GLU 30 -1.168 7.433 1.754 237 HA GLU 30 HA GLU 30 -1.868 5.761 4.097 238 1HB GLU 30 HB2 GLU 30 -3.150 8.097 2.729 239 2HB GLU 30 HB1 GLU 30 -4.171 6.973 3.627 240 1HG GLU 30 HG2 GLU 30 -3.562 7.979 5.542 241 2HG GLU 30 HG1 GLU 30 -1.890 7.503 5.242 242 H PHE 31 HN PHE 31 -3.694 4.291 3.923 243 HA PHE 31 HA PHE 31 -4.637 3.630 1.198 244 1HB PHE 31 HB2 PHE 31 -3.839 1.210 2.661 245 2HB PHE 31 HB1 PHE 31 -3.549 1.645 0.979 246 HD1 PHE 31 HD1 PHE 31 -2.413 2.549 4.444 247 HD2 PHE 31 HD2 PHE 31 -1.353 2.153 0.298 248 HE1 PHE 31 HE1 PHE 31 -0.063 3.083 4.993 249 HE2 PHE 31 HE2 PHE 31 1.000 2.690 0.852 250 HZ PHE 31 HZ PHE 31 1.645 3.158 3.203 251 H LEU 32 HN LEU 32 -6.669 4.370 2.127 252 HA LEU 32 HA LEU 32 -7.755 2.790 4.377 253 1HB LEU 32 HB2 LEU 32 -9.246 5.004 3.017 254 2HB LEU 32 HB1 LEU 32 -9.286 4.510 4.710 255 HG LEU 32 HG LEU 32 -6.657 5.197 4.429 256 1HD1 LEU 32 HD11 LEU 32 -6.302 6.780 2.839 257 2HD1 LEU 32 HD12 LEU 32 -7.863 7.548 3.127 258 3HD1 LEU 32 HD13 LEU 32 -7.757 6.128 2.085 259 1HD2 LEU 32 HD21 LEU 32 -7.993 7.590 5.112 260 2HD2 LEU 32 HD22 LEU 32 -7.403 6.350 6.219 261 3HD2 LEU 32 HD23 LEU 32 -9.061 6.283 5.623 262 H ASN 33 HN ASN 33 -10.286 2.481 4.080 263 HA ASN 33 HA ASN 33 -10.553 0.729 1.722 264 1HB ASN 33 HB2 ASN 33 -12.131 -0.421 2.952 265 2HB ASN 33 HB1 ASN 33 -11.253 0.329 4.280 266 1HD2 ASN 33 HD21 ASN 33 -13.992 -0.473 4.463 267 2HD2 ASN 33 HD22 ASN 33 -14.912 0.922 4.704 268 H ASN 34 HN ASN 34 -12.479 0.893 0.318 269 HA ASN 34 HA ASN 34 -13.276 3.735 -0.045 270 1HB ASN 34 HB2 ASN 34 -12.333 2.301 -1.949 271 2HB ASN 34 HB1 ASN 34 -13.868 1.435 -1.918 272 1HD2 ASN 34 HD21 ASN 34 -15.837 2.667 -2.476 273 2HD2 ASN 34 HD22 ASN 34 -15.726 4.124 -3.340 274 H LYS 35 HN LYS 35 -15.038 0.695 -0.690 275 HA LYS 35 HA LYS 35 -17.071 1.272 1.301 276 1HB LYS 35 HB2 LYS 35 -17.507 2.825 -0.775 277 2HB LYS 35 HB1 LYS 35 -18.096 1.340 -1.525 278 1HG LYS 35 HG2 LYS 35 -19.995 1.361 -0.301 279 2HG LYS 35 HG1 LYS 35 -19.111 1.675 1.193 280 1HD LYS 35 HD2 LYS 35 -18.940 4.051 -0.329 281 2HD LYS 35 HD1 LYS 35 -20.621 3.522 -0.430 282 1HE LYS 35 HE2 LYS 35 -20.878 3.524 1.932 283 2HE LYS 35 HE1 LYS 35 -19.137 3.609 2.200 284 1HZ LYS 35 HZ1 LYS 35 -20.143 5.756 2.551 285 2HZ LYS 35 HZ2 LYS 35 -20.830 5.732 0.998 286 3HZ LYS 35 HZ3 LYS 35 -19.143 5.815 1.183 287 H VAL 36 HN VAL 36 -15.314 -0.893 0.461 288 HA VAL 36 HA VAL 36 -17.312 -3.038 0.426 289 HB VAL 36 HB VAL 36 -15.260 -2.882 -1.802 290 1HG1 VAL 36 1HG1 VAL 36 -17.228 -4.898 -0.839 291 2HG1 VAL 36 2HG1 VAL 36 -15.670 -5.138 -1.629 292 3HG1 VAL 36 3HG1 VAL 36 -17.086 -4.702 -2.586 293 1HG2 VAL 36 1HG2 VAL 36 -16.957 -1.200 -2.209 294 2HG2 VAL 36 2HG2 VAL 36 -18.242 -2.328 -1.780 295 3HG2 VAL 36 3HG2 VAL 36 -17.305 -2.579 -3.252 296 HA PRO 37 HA PRO 37 -13.268 -3.744 2.637 297 1HB PRO 37 HB2 PRO 37 -14.357 -3.750 5.169 298 2HB PRO 37 HB1 PRO 37 -13.721 -2.301 4.374 299 1HG PRO 37 HG2 PRO 37 -16.551 -3.099 4.850 300 2HG PRO 37 HG1 PRO 37 -15.860 -1.480 4.649 301 1HD PRO 37 HD2 PRO 37 -17.272 -2.941 2.679 302 2HD PRO 37 HD1 PRO 37 -16.305 -1.476 2.404 303 HA PRO 38 HA PRO 38 -12.677 -4.390 4.893 304 1HB PRO 38 HB2 PRO 38 -11.127 -6.388 5.925 305 2HB PRO 38 HB1 PRO 38 -12.645 -5.864 6.673 306 1HG PRO 38 HG2 PRO 38 -12.077 -8.364 5.175 307 2HG PRO 38 HG1 PRO 38 -13.350 -8.033 6.360 308 1HD PRO 38 HD2 PRO 38 -13.618 -8.077 3.506 309 2HD PRO 38 HD1 PRO 38 -14.857 -7.619 4.694 310 H HIS 39 HN HIS 39 -10.397 -3.952 4.564 311 HA HIS 39 HA HIS 39 -9.228 -5.338 2.182 312 1HB HIS 39 HB2 HIS 39 -9.044 -2.427 3.017 313 2HB HIS 39 HB1 HIS 39 -8.047 -3.145 1.751 314 HD2 HIS 39 HD2 HIS 39 -11.914 -2.539 2.410 315 HE1 HIS 39 HE1 HIS 39 -11.307 -3.058 -1.732 316 HE2 HIS 39 HE2 HIS 39 -13.033 -2.640 0.064 317 H ASN 40 HN ASN 40 -7.069 -5.962 2.353 318 HA ASN 40 HA ASN 40 -5.768 -5.430 4.996 319 1HB ASN 40 HB2 ASN 40 -6.303 -7.775 4.866 320 2HB ASN 40 HB1 ASN 40 -5.679 -7.884 3.221 321 1HD2 ASN 40 HD21 ASN 40 -4.073 -6.094 5.856 322 2HD2 ASN 40 HD22 ASN 40 -2.710 -7.103 5.932 323 H VAL 41 HN VAL 41 -4.016 -4.128 4.763 324 HA VAL 41 HA VAL 41 -2.712 -4.000 2.095 325 HB VAL 41 HB VAL 41 -3.076 -2.112 4.366 326 1HG1 VAL 41 1HG1 VAL 41 -1.166 -0.702 3.458 327 2HG1 VAL 41 2HG1 VAL 41 -0.610 -2.142 2.606 328 3HG1 VAL 41 3HG1 VAL 41 -0.668 -2.128 4.368 329 1HG2 VAL 41 1HG2 VAL 41 -3.972 -0.823 2.730 330 2HG2 VAL 41 2HG2 VAL 41 -3.971 -2.309 1.780 331 3HG2 VAL 41 3HG2 VAL 41 -2.646 -1.156 1.616 332 H VAL 42 HN VAL 42 -0.743 -4.868 1.794 333 HA VAL 42 HA VAL 42 1.202 -5.080 3.974 334 HB VAL 42 HB VAL 42 1.346 -7.676 3.109 335 1HG1 VAL 42 1HG1 VAL 42 -0.362 -7.786 5.317 336 2HG1 VAL 42 2HG1 VAL 42 0.459 -6.233 5.477 337 3HG1 VAL 42 3HG1 VAL 42 1.400 -7.721 5.362 338 1HG2 VAL 42 1HG2 VAL 42 -1.597 -7.282 3.588 339 2HG2 VAL 42 2HG2 VAL 42 -0.767 -8.634 2.816 340 3HG2 VAL 42 3HG2 VAL 42 -0.950 -7.104 1.957 341 H PHE 43 HN PHE 43 3.306 -6.008 3.074 342 HA PHE 43 HA PHE 43 3.455 -5.537 0.123 343 1HB PHE 43 HB2 PHE 43 5.775 -4.949 1.952 344 2HB PHE 43 HB1 PHE 43 5.438 -4.307 0.346 345 HD1 PHE 43 HD1 PHE 43 3.935 -4.410 3.779 346 HD2 PHE 43 HD2 PHE 43 4.572 -2.150 0.183 347 HE1 PHE 43 HE1 PHE 43 2.862 -2.441 4.825 348 HE2 PHE 43 HE2 PHE 43 3.498 -0.177 1.235 349 HZ PHE 43 HZ PHE 43 2.660 -0.324 3.566 350 H ASP 44 HN ASP 44 4.502 -7.128 -1.022 351 HA ASP 44 HA ASP 44 5.130 -9.620 0.271 352 1HB ASP 44 HB2 ASP 44 4.416 -9.311 -2.151 353 2HB ASP 44 HB1 ASP 44 6.056 -8.749 -2.477 354 H ALA 45 HN ALA 45 7.052 -10.335 1.098 355 HA ALA 45 HA ALA 45 9.258 -8.432 1.297 356 1HB ALA 45 HB1 ALA 45 10.015 -10.988 2.294 357 2HB ALA 45 HB2 ALA 45 8.334 -10.717 2.756 358 3HB ALA 45 HB3 ALA 45 9.576 -9.552 3.219 359 H ALA 46 HN ALA 46 8.398 -10.192 -1.230 360 HA ALA 46 HA ALA 46 11.200 -11.041 -1.857 361 1HB ALA 46 HB1 ALA 46 9.511 -12.900 -1.760 362 2HB ALA 46 HB2 ALA 46 10.274 -12.726 -3.340 363 3HB ALA 46 HB3 ALA 46 8.640 -12.116 -3.078 364 H LEU 47 HN LEU 47 9.598 -8.422 -2.256 365 HA LEU 47 HA LEU 47 10.289 -8.157 -5.149 366 1HB LEU 47 HB2 LEU 47 7.708 -7.628 -3.789 367 2HB LEU 47 HB1 LEU 47 8.249 -6.376 -4.908 368 HG LEU 47 HG LEU 47 8.775 -8.644 -6.348 369 1HD1 LEU 47 HD11 LEU 47 6.057 -9.364 -5.620 370 2HD1 LEU 47 HD12 LEU 47 7.140 -9.511 -4.236 371 3HD1 LEU 47 HD13 LEU 47 7.489 -10.388 -5.725 372 1HD2 LEU 47 HD21 LEU 47 6.733 -6.541 -6.277 373 2HD2 LEU 47 HD22 LEU 47 6.168 -8.016 -7.062 374 3HD2 LEU 47 HD23 LEU 47 7.615 -7.200 -7.655 375 H ASN 48 HN ASN 48 12.100 -7.436 -3.226 376 HA ASN 48 HA ASN 48 11.824 -4.457 -3.111 377 1HB ASN 48 HB2 ASN 48 13.593 -4.752 -1.214 378 2HB ASN 48 HB1 ASN 48 11.905 -5.117 -0.857 379 1HD2 ASN 48 HD21 ASN 48 11.375 -7.279 -0.304 380 2HD2 ASN 48 HD22 ASN 48 12.508 -8.543 -0.270 381 HA PRO 49 HA PRO 49 15.497 -4.202 -5.487 382 1HB PRO 49 HB2 PRO 49 16.548 -1.857 -4.513 383 2HB PRO 49 HB1 PRO 49 15.137 -1.927 -5.584 384 1HG PRO 49 HG2 PRO 49 15.243 -1.388 -2.652 385 2HG PRO 49 HG1 PRO 49 14.045 -0.864 -3.845 386 1HD PRO 49 HD2 PRO 49 13.727 -2.992 -2.012 387 2HD PRO 49 HD1 PRO 49 12.702 -2.674 -3.428 388 H ALA 50 HN ALA 50 15.629 -4.748 -2.148 389 HA ALA 50 HA ALA 50 18.577 -5.197 -2.318 390 1HB ALA 50 HB1 ALA 50 18.634 -4.739 0.160 391 2HB ALA 50 HB2 ALA 50 16.952 -4.220 0.046 392 3HB ALA 50 HB3 ALA 50 18.209 -3.331 -0.815 393 H LYS 51 HN LYS 51 16.259 -6.968 -2.819 394 HA LYS 51 HA LYS 51 15.364 -9.052 -2.091 395 1HB LYS 51 HB2 LYS 51 17.134 -10.732 -2.040 396 2HB LYS 51 HB1 LYS 51 17.493 -9.538 -3.289 397 1HG LYS 51 HG2 LYS 51 18.993 -8.354 -1.717 398 2HG LYS 51 HG1 LYS 51 18.652 -9.572 -0.487 399 1HD LYS 51 HD2 LYS 51 19.766 -10.276 -3.210 400 2HD LYS 51 HD1 LYS 51 20.797 -9.928 -1.821 401 1HE LYS 51 HE2 LYS 51 20.289 -11.895 -0.785 402 2HE LYS 51 HE1 LYS 51 18.608 -11.856 -1.317 403 1HZ LYS 51 HZ1 LYS 51 19.076 -13.020 -3.152 404 2HZ LYS 51 HZ2 LYS 51 20.486 -13.485 -2.325 405 3HZ LYS 51 HZ3 LYS 51 20.535 -12.204 -3.439 406 H SER 52 HN SER 52 15.369 -7.198 0.112 407 HA SER 52 HA SER 52 16.128 -9.023 2.361 408 1HB SER 52 HB2 SER 52 16.219 -6.057 2.042 409 2HB SER 52 HB1 SER 52 15.822 -6.693 3.636 410 HG SER 52 HG SER 52 18.180 -6.394 2.762 411 H ALA 53 HN ALA 53 14.645 -8.655 4.339 412 HA ALA 53 HA ALA 53 11.859 -8.002 3.514 413 1HB ALA 53 HB1 ALA 53 12.905 -10.634 4.467 414 2HB ALA 53 HB2 ALA 53 11.629 -10.292 3.299 415 3HB ALA 53 HB3 ALA 53 11.311 -10.129 5.027 416 H ASP 54 HN ASP 54 13.306 -6.267 5.008 417 HA ASP 54 HA ASP 54 12.411 -6.764 7.801 418 1HB ASP 54 HB2 ASP 54 14.576 -4.842 6.922 419 2HB ASP 54 HB1 ASP 54 14.217 -5.374 8.565 420 H LEU 55 HN LEU 55 12.723 -4.303 5.256 421 HA LEU 55 HA LEU 55 11.469 -2.157 6.607 422 1HB LEU 55 HB2 LEU 55 11.105 -1.191 4.447 423 2HB LEU 55 HB1 LEU 55 12.604 -2.112 4.325 424 HG LEU 55 HG LEU 55 10.717 -4.013 3.698 425 1HD1 LEU 55 HD11 LEU 55 9.816 -1.878 1.898 426 2HD1 LEU 55 HD12 LEU 55 9.315 -1.628 3.570 427 3HD1 LEU 55 HD13 LEU 55 8.874 -3.115 2.731 428 1HD2 LEU 55 HD21 LEU 55 11.555 -2.528 1.339 429 2HD2 LEU 55 HD22 LEU 55 12.054 -4.131 1.880 430 3HD2 LEU 55 HD23 LEU 55 12.880 -2.698 2.490 431 H ALA 56 HN ALA 56 10.106 -5.042 5.159 432 HA ALA 56 HA ALA 56 7.364 -4.025 5.218 433 1HB ALA 56 HB1 ALA 56 7.726 -6.944 5.169 434 2HB ALA 56 HB2 ALA 56 8.615 -6.097 3.903 435 3HB ALA 56 HB3 ALA 56 6.868 -5.898 4.036 436 H LYS 57 HN LYS 57 9.432 -6.010 7.292 437 HA LYS 57 HA LYS 57 7.536 -7.077 9.061 438 1HB LYS 57 HB2 LYS 57 10.047 -7.430 9.123 439 2HB LYS 57 HB1 LYS 57 10.175 -5.865 9.927 440 1HG LYS 57 HG2 LYS 57 8.127 -7.468 11.193 441 2HG LYS 57 HG1 LYS 57 9.650 -8.357 11.140 442 1HD LYS 57 HD2 LYS 57 10.696 -6.096 11.951 443 2HD LYS 57 HD1 LYS 57 9.048 -5.723 12.456 444 1HE LYS 57 HE2 LYS 57 8.959 -7.659 13.880 445 2HE LYS 57 HE1 LYS 57 10.478 -8.276 13.229 446 1HZ LYS 57 HZ1 LYS 57 10.104 -6.534 15.380 447 2HZ LYS 57 HZ2 LYS 57 10.895 -5.665 14.153 448 3HZ LYS 57 HZ3 LYS 57 11.566 -7.111 14.743 449 H SER 58 HN SER 58 8.475 -3.766 8.599 450 HA SER 58 HA SER 58 6.739 -3.010 10.917 451 1HB SER 58 HB2 SER 58 9.270 -1.718 9.885 452 2HB SER 58 HB1 SER 58 8.149 -0.879 10.952 453 HG SER 58 HG SER 58 9.074 -3.460 11.590 454 H LEU 59 HN LEU 59 6.359 -3.358 7.849 455 HA LEU 59 HA LEU 59 5.190 -0.638 7.391 456 1HB LEU 59 HB2 LEU 59 7.112 -1.504 5.859 457 2HB LEU 59 HB1 LEU 59 5.877 -2.546 5.166 458 HG LEU 59 HG LEU 59 4.473 -0.452 4.845 459 1HD1 LEU 59 HD11 LEU 59 6.524 0.673 6.397 460 2HD1 LEU 59 HD12 LEU 59 5.237 1.545 5.564 461 3HD1 LEU 59 HD13 LEU 59 6.792 1.297 4.769 462 1HD2 LEU 59 HD21 LEU 59 6.097 -1.654 3.157 463 2HD2 LEU 59 HD22 LEU 59 7.074 -0.200 3.358 464 3HD2 LEU 59 HD23 LEU 59 5.428 -0.079 2.745 465 H SER 60 HN SER 60 4.773 -4.134 6.832 466 HA SER 60 HA SER 60 2.046 -3.791 5.856 467 1HB SER 60 HB2 SER 60 2.370 -6.451 6.702 468 2HB SER 60 HB1 SER 60 2.555 -5.837 5.062 469 HG SER 60 HG SER 60 4.673 -5.841 5.288 470 H HIS 61 HN HIS 61 0.261 -3.599 7.101 471 HA HIS 61 HA HIS 61 0.534 -4.179 10.018 472 1HB HIS 61 HB2 HIS 61 -1.691 -2.722 9.974 473 2HB HIS 61 HB1 HIS 61 -0.105 -1.952 9.944 474 HD1 HIS 61 HD1 HIS 61 0.292 -0.376 8.051 475 HD2 HIS 61 HD2 HIS 61 -2.723 -3.126 7.167 476 HE1 HIS 61 HE1 HIS 61 -0.636 0.269 5.779 477 H LYS 62 HN LYS 62 -0.848 -5.651 10.956 478 HA LYS 62 HA LYS 62 -2.484 -7.287 9.137 479 1HB LYS 62 HB2 LYS 62 -1.136 -7.679 11.637 480 2HB LYS 62 HB1 LYS 62 -2.842 -8.068 11.855 481 1HG LYS 62 HG2 LYS 62 -2.623 -9.404 9.655 482 2HG LYS 62 HG1 LYS 62 -0.881 -9.274 9.904 483 1HD LYS 62 HD2 LYS 62 -0.996 -11.024 11.312 484 2HD LYS 62 HD1 LYS 62 -1.979 -10.039 12.396 485 1HE LYS 62 HE2 LYS 62 -4.008 -10.824 11.454 486 2HE LYS 62 HE1 LYS 62 -3.192 -11.472 10.030 487 1HZ LYS 62 HZ1 LYS 62 -2.719 -12.469 12.783 488 2HZ LYS 62 HZ2 LYS 62 -2.197 -13.169 11.325 489 3HZ LYS 62 HZ3 LYS 62 -3.848 -13.159 11.722 490 H GLN 63 HN GLN 63 -4.500 -8.057 10.996 491 HA GLN 63 HA GLN 63 -6.545 -7.340 11.924 492 1HB GLN 63 HB2 GLN 63 -5.035 -5.409 12.814 493 2HB GLN 63 HB1 GLN 63 -5.728 -4.475 11.488 494 1HG GLN 63 HG2 GLN 63 -7.990 -5.550 12.490 495 2HG GLN 63 HG1 GLN 63 -7.021 -5.494 13.963 496 1HE2 GLN 63 1HE2 GLN 63 -5.528 -3.132 13.542 497 2HE2 GLN 63 2HE2 GLN 63 -6.586 -1.806 13.474 498 H LEU 64 HN LEU 64 -8.489 -7.142 10.845 499 HA LEU 64 HA LEU 64 -8.359 -6.478 7.980 500 1HB LEU 64 HB2 LEU 64 -10.666 -7.418 9.713 501 2HB LEU 64 HB1 LEU 64 -10.722 -7.239 7.958 502 HG LEU 64 HG LEU 64 -8.532 -8.769 8.121 503 1HD1 LEU 64 HD11 LEU 64 -8.200 -9.662 10.158 504 2HD1 LEU 64 HD12 LEU 64 -9.800 -10.402 10.082 505 3HD1 LEU 64 HD13 LEU 64 -9.604 -8.794 10.779 506 1HD2 LEU 64 HD21 LEU 64 -11.426 -9.298 7.853 507 2HD2 LEU 64 HD22 LEU 64 -10.460 -10.718 8.255 508 3HD2 LEU 64 HD23 LEU 64 -10.093 -9.783 6.805 509 H LEU 65 HN LEU 65 -9.096 -4.585 7.100 510 HA LEU 65 HA LEU 65 -9.858 -2.423 8.917 511 1HB LEU 65 HB2 LEU 65 -9.851 -2.383 5.886 512 2HB LEU 65 HB1 LEU 65 -9.749 -1.000 6.976 513 HG LEU 65 HG LEU 65 -7.684 -3.180 7.128 514 1HD1 LEU 65 HD11 LEU 65 -7.289 -0.757 5.392 515 2HD1 LEU 65 HD12 LEU 65 -8.051 -2.200 4.723 516 3HD1 LEU 65 HD13 LEU 65 -6.414 -2.288 5.376 517 1HD2 LEU 65 HD21 LEU 65 -6.973 -0.334 7.402 518 2HD2 LEU 65 HD22 LEU 65 -6.596 -1.693 8.461 519 3HD2 LEU 65 HD23 LEU 65 -8.162 -0.891 8.580 520 H MET 66 HN MET 66 -11.929 -1.970 9.479 521 HA MET 66 HA MET 66 -14.103 -2.879 7.635 522 1HB MET 66 HB2 MET 66 -13.845 -3.114 10.622 523 2HB MET 66 HB1 MET 66 -15.443 -3.010 9.882 524 1HG MET 66 HG2 MET 66 -15.183 -5.025 8.724 525 2HG MET 66 HG1 MET 66 -13.423 -4.955 8.798 526 1HE MET 66 HE1 MET 66 -12.768 -7.531 11.191 527 2HE MET 66 HE2 MET 66 -11.977 -6.012 10.777 528 3HE MET 66 HE3 MET 66 -12.761 -6.961 9.516 529 H SER 67 HN SER 67 -12.573 -0.218 8.727 530 HA SER 67 HA SER 67 -14.994 1.384 9.293 531 1HB SER 67 HB2 SER 67 -12.963 1.803 10.630 532 2HB SER 67 HB1 SER 67 -12.070 2.186 9.162 533 HG SER 67 HG SER 67 -14.299 3.553 10.269 534 HA PRO 68 HA PRO 68 -15.293 2.669 5.084 535 1HB PRO 68 HB2 PRO 68 -17.024 4.761 5.493 536 2HB PRO 68 HB1 PRO 68 -17.520 3.060 5.519 537 1HG PRO 68 HG2 PRO 68 -17.165 4.946 7.800 538 2HG PRO 68 HG1 PRO 68 -18.200 3.513 7.679 539 1HD PRO 68 HD2 PRO 68 -15.707 3.658 9.020 540 2HD PRO 68 HD1 PRO 68 -16.600 2.174 8.624 541 H GLY 69 HN GLY 69 -13.036 3.469 4.950 542 1HA GLY 69 HA2 GLY 69 -11.822 5.355 4.059 543 2HA GLY 69 HA1 GLY 69 -12.982 6.437 4.831 544 H GLN 70 HN GLN 70 -11.119 3.742 6.232 545 HA GLN 70 HA GLN 70 -9.333 5.550 7.657 546 1HB GLN 70 HB2 GLN 70 -11.256 5.874 9.082 547 2HB GLN 70 HB1 GLN 70 -11.568 4.139 9.139 548 1HG GLN 70 HG2 GLN 70 -10.441 4.876 11.199 549 2HG GLN 70 HG1 GLN 70 -9.398 3.792 10.279 550 1HE2 GLN 70 1HE2 GLN 70 -9.266 6.621 11.995 551 2HE2 GLN 70 2HE2 GLN 70 -7.985 7.389 11.189 552 H SER 71 HN SER 71 -7.587 4.289 7.061 553 HA SER 71 HA SER 71 -7.702 1.394 7.791 554 1HB SER 71 HB2 SER 71 -5.629 1.345 6.225 555 2HB SER 71 HB1 SER 71 -7.229 1.480 5.502 556 HG SER 71 HG SER 71 -5.926 3.833 6.261 557 H THR 72 HN THR 72 -4.633 2.740 7.055 558 HA THR 72 HA THR 72 -3.905 3.573 9.744 559 HB THR 72 HB THR 72 -3.867 1.076 9.948 560 HG1 THR 72 HG1 THR 72 -1.611 2.693 10.134 561 1HG2 THR 72 1HG2 THR 72 -3.135 0.985 7.396 562 2HG2 THR 72 2HG2 THR 72 -2.659 -0.283 8.525 563 3HG2 THR 72 3HG2 THR 72 -1.519 0.993 8.102 564 H SER 73 HN SER 73 -2.573 5.269 9.240 565 HA SER 73 HA SER 73 -1.311 5.409 6.613 566 1HB SER 73 HB2 SER 73 -2.043 7.497 7.450 567 2HB SER 73 HB1 SER 73 -1.342 7.205 9.039 568 HG SER 73 HG SER 73 0.241 7.317 6.700 569 H THR 74 HN THR 74 0.533 4.384 6.170 570 HA THR 74 HA THR 74 2.402 3.712 8.371 571 HB THR 74 HB THR 74 2.900 2.902 5.533 572 HG1 THR 74 HG1 THR 74 0.694 2.222 7.089 573 1HG2 THR 74 1HG2 THR 74 3.077 1.477 8.204 574 2HG2 THR 74 2HG2 THR 74 4.424 2.239 7.356 575 3HG2 THR 74 3HG2 THR 74 3.624 0.831 6.656 576 H THR 75 HN THR 75 3.713 5.454 8.785 577 HA THR 75 HA THR 75 4.601 7.239 6.654 578 HB THR 75 HB THR 75 5.587 7.043 9.517 579 HG1 THR 75 HG1 THR 75 3.350 7.407 9.411 580 1HG2 THR 75 1HG2 THR 75 6.740 8.973 9.137 581 2HG2 THR 75 2HG2 THR 75 5.509 9.610 8.045 582 3HG2 THR 75 3HG2 THR 75 6.687 8.436 7.457 583 H PHE 76 HN PHE 76 5.795 5.918 5.231 584 HA PHE 76 HA PHE 76 7.669 3.956 5.740 585 1HB PHE 76 HB2 PHE 76 7.536 6.126 3.670 586 2HB PHE 76 HB1 PHE 76 8.962 5.091 3.739 587 HD1 PHE 76 HD1 PHE 76 8.897 3.325 2.237 588 HD2 PHE 76 HD2 PHE 76 5.235 4.567 4.116 589 HE1 PHE 76 HE1 PHE 76 7.676 1.527 1.048 590 HE2 PHE 76 HE2 PHE 76 4.020 2.767 2.923 591 HZ PHE 76 HZ PHE 76 5.239 1.256 1.389 592 HA PRO 77 HA PRO 77 10.955 5.774 7.969 593 1HB PRO 77 HB2 PRO 77 13.106 4.390 6.958 594 2HB PRO 77 HB1 PRO 77 11.926 3.699 8.083 595 1HG PRO 77 HG2 PRO 77 12.218 3.234 5.150 596 2HG PRO 77 HG1 PRO 77 11.550 2.164 6.394 597 1HD PRO 77 HD2 PRO 77 10.041 3.704 4.570 598 2HD PRO 77 HD1 PRO 77 9.415 2.928 6.041 599 H ALA 78 HN ALA 78 12.859 7.150 7.807 600 HA ALA 78 HA ALA 78 12.787 8.954 5.561 601 1HB ALA 78 HB1 ALA 78 14.721 8.624 7.867 602 2HB ALA 78 HB2 ALA 78 13.447 9.833 7.695 603 3HB ALA 78 HB3 ALA 78 14.875 9.902 6.662 604 H ASP 79 HN ASP 79 14.149 5.906 5.857 605 HA ASP 79 HA ASP 79 16.408 6.523 4.026 606 1HB ASP 79 HB2 ASP 79 15.856 4.478 6.040 607 2HB ASP 79 HB1 ASP 79 16.413 3.782 4.518 608 H ALA 80 HN ALA 80 13.987 3.892 4.254 609 HA ALA 80 HA ALA 80 12.742 2.840 2.571 610 1HB ALA 80 HB1 ALA 80 13.238 5.342 0.945 611 2HB ALA 80 HB2 ALA 80 12.019 5.249 2.216 612 3HB ALA 80 HB3 ALA 80 11.894 4.210 0.797 613 HA PRO 81 HA PRO 81 16.065 1.191 0.130 614 1HB PRO 81 HB2 PRO 81 14.621 -0.873 -0.968 615 2HB PRO 81 HB1 PRO 81 15.258 -0.898 0.685 616 1HG PRO 81 HG2 PRO 81 12.451 -0.500 -0.239 617 2HG PRO 81 HG1 PRO 81 13.045 -1.144 1.301 618 1HD PRO 81 HD2 PRO 81 12.061 1.477 0.866 619 2HD PRO 81 HD1 PRO 81 12.953 0.919 2.298 620 H ALA 82 HN ALA 82 16.388 2.754 -1.510 621 HA ALA 82 HA ALA 82 14.690 3.737 -3.439 622 1HB ALA 82 HB1 ALA 82 17.375 2.821 -4.392 623 2HB ALA 82 HB2 ALA 82 17.310 4.003 -3.085 624 3HB ALA 82 HB3 ALA 82 16.567 4.369 -4.642 625 H GLY 83 HN GLY 83 13.313 2.709 -4.790 626 1HA GLY 83 HA2 GLY 83 13.840 1.032 -6.871 627 2HA GLY 83 HA1 GLY 83 13.760 -0.099 -5.521 628 H GLU 84 HN GLU 84 11.835 -1.032 -6.520 629 HA GLU 84 HA GLU 84 9.413 0.675 -6.102 630 1HB GLU 84 HB2 GLU 84 10.227 -1.051 -8.360 631 2HB GLU 84 HB1 GLU 84 8.554 -1.252 -7.835 632 1HG GLU 84 HG2 GLU 84 7.947 0.775 -8.638 633 2HG GLU 84 HG1 GLU 84 9.380 1.558 -7.972 634 H TYR 85 HN TYR 85 8.063 -0.103 -4.556 635 HA TYR 85 HA TYR 85 8.547 -2.828 -3.502 636 1HB TYR 85 HB2 TYR 85 6.537 -0.861 -2.413 637 2HB TYR 85 HB1 TYR 85 7.413 -2.131 -1.555 638 HD1 TYR 85 HD1 TYR 85 10.116 -1.471 -3.009 639 HD2 TYR 85 HD2 TYR 85 7.253 0.900 -0.855 640 HE1 TYR 85 HE1 TYR 85 11.898 0.153 -2.428 641 HE2 TYR 85 HE2 TYR 85 9.036 2.523 -0.273 642 HH TYR 85 HH TYR 85 12.422 1.928 -1.148 643 H THR 86 HN THR 86 5.964 -3.439 -2.554 644 HA THR 86 HA THR 86 4.011 -3.168 -4.677 645 HB THR 86 HB THR 86 5.444 -5.822 -4.387 646 HG1 THR 86 HG1 THR 86 5.471 -3.729 -6.200 647 1HG2 THR 86 1HG2 THR 86 3.699 -6.843 -5.410 648 2HG2 THR 86 2HG2 THR 86 3.441 -5.489 -6.510 649 3HG2 THR 86 3HG2 THR 86 2.761 -5.446 -4.883 650 H PHE 87 HN PHE 87 2.254 -2.969 -3.396 651 HA PHE 87 HA PHE 87 1.933 -4.902 -1.171 652 1HB PHE 87 HB2 PHE 87 0.101 -3.067 -0.534 653 2HB PHE 87 HB1 PHE 87 1.786 -2.904 -0.043 654 HD1 PHE 87 HD1 PHE 87 3.295 -1.371 -1.187 655 HD2 PHE 87 HD2 PHE 87 -0.820 -1.734 -2.348 656 HE1 PHE 87 HE1 PHE 87 3.493 0.701 -2.519 657 HE2 PHE 87 HE2 PHE 87 -0.630 0.340 -3.681 658 HZ PHE 87 HZ PHE 87 1.528 1.568 -3.771 659 H TYR 88 HN TYR 88 -0.292 -5.731 -0.859 660 HA TYR 88 HA TYR 88 -2.078 -5.372 -3.178 661 1HB TYR 88 HB2 TYR 88 -2.300 -7.772 -3.564 662 2HB TYR 88 HB1 TYR 88 -0.608 -7.303 -3.728 663 HD1 TYR 88 HD1 TYR 88 -2.935 -9.439 -2.021 664 HD2 TYR 88 HD2 TYR 88 0.915 -7.566 -1.664 665 HE1 TYR 88 HE1 TYR 88 -2.308 -11.063 -0.256 666 HE2 TYR 88 HE2 TYR 88 1.540 -9.190 0.103 667 HH TYR 88 HH TYR 88 -0.138 -12.019 0.674 668 H CYS 89 HN CYS 89 -3.875 -7.432 -2.534 669 HA CYS 89 HA CYS 89 -4.736 -6.666 0.228 670 1HB CYS 89 HB2 CYS 89 -6.052 -6.258 -2.316 671 2HB CYS 89 HB1 CYS 89 -7.031 -7.292 -1.277 672 H GLU 90 HN GLU 90 -5.146 -8.412 1.517 673 HA GLU 90 HA GLU 90 -4.761 -11.086 0.553 674 1HB GLU 90 HB2 GLU 90 -4.307 -10.576 2.875 675 2HB GLU 90 HB1 GLU 90 -5.974 -10.074 3.138 676 1HG GLU 90 HG2 GLU 90 -6.243 -12.621 2.067 677 2HG GLU 90 HG1 GLU 90 -4.831 -12.765 3.114 678 HA PRO 91 HA PRO 91 -9.528 -11.404 0.742 679 1HB PRO 91 HB2 PRO 91 -10.951 -9.054 0.822 680 2HB PRO 91 HB1 PRO 91 -10.458 -9.951 2.269 681 1HG PRO 91 HG2 PRO 91 -9.343 -7.421 1.159 682 2HG PRO 91 HG1 PRO 91 -9.335 -8.014 2.829 683 1HD PRO 91 HD2 PRO 91 -7.161 -8.095 1.018 684 2HD PRO 91 HD1 PRO 91 -7.263 -8.947 2.571 685 H HIS 92 HN HIS 92 -8.773 -8.243 -0.796 686 HA HIS 92 HA HIS 92 -10.176 -9.122 -3.244 687 1HB HIS 92 HB2 HIS 92 -8.672 -6.526 -2.971 688 2HB HIS 92 HB1 HIS 92 -10.102 -6.881 -3.940 689 HD2 HIS 92 HD2 HIS 92 -12.556 -7.091 -2.373 690 HE1 HIS 92 HE1 HIS 92 -10.933 -5.177 1.006 691 HE2 HIS 92 HE2 HIS 92 -13.060 -6.018 -0.064 692 H ARG 93 HN ARG 93 -7.733 -10.511 -2.460 693 HA ARG 93 HA ARG 93 -5.475 -9.580 -3.962 694 1HB ARG 93 HB2 ARG 93 -4.694 -11.963 -3.809 695 2HB ARG 93 HB1 ARG 93 -5.163 -11.283 -2.254 696 1HG ARG 93 HG2 ARG 93 -7.432 -12.325 -2.555 697 2HG ARG 93 HG1 ARG 93 -6.819 -13.119 -4.005 698 1HD ARG 93 HD2 ARG 93 -4.895 -13.623 -2.018 699 2HD ARG 93 HD1 ARG 93 -6.453 -13.863 -1.227 700 HE ARG 93 HE ARG 93 -6.406 -15.921 -2.381 701 1HH1 ARG 93 HH21 ARG 93 -3.928 -14.607 -3.934 702 2HH1 ARG 93 HH22 ARG 93 -4.411 -14.994 -5.552 703 1HH2 ARG 93 HH11 ARG 93 -7.645 -15.871 -4.659 704 2HH2 ARG 93 HH12 ARG 93 -6.517 -15.706 -5.962 705 H GLY 94 HN GLY 94 -5.170 -9.570 -6.136 706 1HA GLY 94 HA2 GLY 94 -5.242 -10.521 -8.342 707 2HA GLY 94 HA1 GLY 94 -6.521 -11.609 -7.802 708 H ALA 95 HN ALA 95 -7.282 -8.595 -6.639 709 HA ALA 95 HA ALA 95 -9.190 -8.182 -8.877 710 1HB ALA 95 HB1 ALA 95 -10.208 -6.519 -7.194 711 2HB ALA 95 HB2 ALA 95 -9.100 -7.220 -6.015 712 3HB ALA 95 HB3 ALA 95 -10.321 -8.232 -6.787 713 H GLY 96 HN GLY 96 -6.378 -7.463 -9.123 714 1HA GLY 96 HA2 GLY 96 -5.149 -5.687 -10.043 715 2HA GLY 96 HA1 GLY 96 -6.680 -4.834 -10.238 716 H MET 97 HN MET 97 -6.327 -5.778 -7.022 717 HA MET 97 HA MET 97 -5.675 -2.992 -6.280 718 1HB MET 97 HB2 MET 97 -6.930 -5.330 -4.905 719 2HB MET 97 HB1 MET 97 -6.103 -4.138 -3.900 720 1HG MET 97 HG2 MET 97 -7.450 -2.339 -4.870 721 2HG MET 97 HG1 MET 97 -8.236 -3.485 -5.953 722 1HE MET 97 HE1 MET 97 -9.650 -5.538 -5.126 723 2HE MET 97 HE2 MET 97 -10.497 -4.056 -5.546 724 3HE MET 97 HE3 MET 97 -11.006 -4.981 -4.136 725 H VAL 98 HN VAL 98 -3.413 -3.692 -7.246 726 HA VAL 98 HA VAL 98 -1.707 -4.367 -4.904 727 HB VAL 98 HB VAL 98 -1.451 -5.613 -7.659 728 1HG1 VAL 98 1HG1 VAL 98 0.639 -4.933 -6.105 729 2HG1 VAL 98 2HG1 VAL 98 0.619 -6.416 -7.060 730 3HG1 VAL 98 3HG1 VAL 98 0.219 -6.467 -5.343 731 1HG2 VAL 98 1HG2 VAL 98 -1.529 -7.499 -5.518 732 2HG2 VAL 98 2HG2 VAL 98 -2.713 -7.273 -6.807 733 3HG2 VAL 98 3HG2 VAL 98 -2.876 -6.383 -5.293 734 H GLY 99 HN GLY 99 -1.504 -1.945 -5.078 735 1HA GLY 99 HA2 GLY 99 -0.235 -0.778 -7.397 736 2HA GLY 99 HA1 GLY 99 -0.412 -0.002 -5.825 737 H LYS 100 HN LYS 100 1.868 0.715 -6.430 738 HA LYS 100 HA LYS 100 3.783 -1.002 -5.025 739 1HB LYS 100 HB2 LYS 100 4.182 -0.336 -7.960 740 2HB LYS 100 HB1 LYS 100 5.395 -1.073 -6.913 741 1HG LYS 100 HG2 LYS 100 3.624 -2.889 -6.448 742 2HG LYS 100 HG1 LYS 100 2.776 -2.242 -7.850 743 1HD LYS 100 HD2 LYS 100 5.682 -2.773 -8.189 744 2HD LYS 100 HD1 LYS 100 4.634 -4.185 -8.051 745 1HE LYS 100 HE2 LYS 100 3.821 -3.880 -10.130 746 2HE LYS 100 HE1 LYS 100 3.465 -2.184 -9.803 747 1HZ LYS 100 HZ1 LYS 100 6.023 -3.362 -10.722 748 2HZ LYS 100 HZ2 LYS 100 5.911 -1.782 -10.106 749 3HZ LYS 100 HZ3 LYS 100 5.060 -2.211 -11.513 750 H ILE 101 HN ILE 101 5.201 0.325 -3.950 751 HA ILE 101 HA ILE 101 5.050 3.212 -4.465 752 HB ILE 101 HB ILE 101 6.041 1.460 -2.291 753 1HG1 ILE 101 2HG1 ILE 101 4.756 4.185 -2.544 754 2HG1 ILE 101 1HG1 ILE 101 4.035 2.698 -1.934 755 1HG2 ILE 101 1HG2 ILE 101 8.177 2.506 -2.867 756 2HG2 ILE 101 2HG2 ILE 101 7.559 3.214 -1.375 757 3HG2 ILE 101 3HG2 ILE 101 7.417 4.098 -2.894 758 1HD1 ILE 101 HD11 ILE 101 4.656 3.310 0.144 759 2HD1 ILE 101 HD12 ILE 101 5.527 4.707 -0.487 760 3HD1 ILE 101 HD13 ILE 101 6.339 3.148 -0.355 761 H THR 102 HN THR 102 6.562 4.387 -5.565 762 HA THR 102 HA THR 102 9.015 2.932 -6.471 763 HB THR 102 HB THR 102 7.732 5.268 -7.900 764 HG1 THR 102 HG1 THR 102 6.232 3.935 -8.457 765 1HG2 THR 102 1HG2 THR 102 10.135 3.788 -8.212 766 2HG2 THR 102 2HG2 THR 102 9.492 5.043 -9.271 767 3HG2 THR 102 3HG2 THR 102 9.076 3.353 -9.553 768 H VAL 103 HN VAL 103 10.315 3.666 -4.722 769 HA VAL 103 HA VAL 103 10.545 6.610 -4.378 770 HB VAL 103 HB VAL 103 12.060 4.602 -2.732 771 1HG1 VAL 103 1HG1 VAL 103 11.429 6.379 -0.981 772 2HG1 VAL 103 2HG1 VAL 103 10.891 7.360 -2.344 773 3HG1 VAL 103 3HG1 VAL 103 12.579 6.864 -2.227 774 1HG2 VAL 103 1HG2 VAL 103 9.169 5.388 -2.278 775 2HG2 VAL 103 2HG2 VAL 103 10.136 4.320 -1.263 776 3HG2 VAL 103 3HG2 VAL 103 9.683 3.819 -2.893 777 H ALA 104 HN ALA 104 12.379 7.703 -5.014 778 HA ALA 104 HA ALA 104 14.310 6.245 -6.673 779 1HB ALA 104 HB1 ALA 104 14.604 9.139 -5.923 780 2HB ALA 104 HB2 ALA 104 13.316 8.656 -7.026 781 3HB ALA 104 HB3 ALA 104 15.000 8.339 -7.444 782 H GLY 105 HN GLY 105 16.719 7.352 -6.245 783 1HA GLY 105 HA2 GLY 105 17.520 7.723 -3.530 784 2HA GLY 105 HA1 GLY 105 17.733 6.023 -3.953 Start of MODEL 9 1 1H GLU 1 HT1 GLU 1 5.755 15.865 2.155 2 2H GLU 1 HT2 GLU 1 5.208 15.524 3.727 3 3H GLU 1 HT3 GLU 1 5.344 17.134 3.202 4 HA GLU 1 HA GLU 1 3.120 16.873 2.922 5 1HB GLU 1 HB2 GLU 1 4.689 16.300 0.516 6 2HB GLU 1 HB1 GLU 1 3.043 15.671 0.422 7 1HG GLU 1 HG2 GLU 1 2.079 17.795 0.692 8 2HG GLU 1 HG1 GLU 1 3.546 18.475 1.397 9 H THR 2 HN THR 2 1.278 15.343 2.217 10 HA THR 2 HA THR 2 1.943 12.554 3.081 11 HB THR 2 HB THR 2 -0.789 13.732 3.477 12 HG1 THR 2 HG1 THR 2 1.564 14.370 4.828 13 1HG2 THR 2 1HG2 THR 2 0.846 11.463 4.471 14 2HG2 THR 2 2HG2 THR 2 -0.886 11.549 4.153 15 3HG2 THR 2 3HG2 THR 2 -0.229 12.224 5.644 16 H TYR 3 HN TYR 3 1.317 10.970 1.670 17 HA TYR 3 HA TYR 3 -0.193 11.815 -0.745 18 1HB TYR 3 HB2 TYR 3 1.432 9.335 -0.112 19 2HB TYR 3 HB1 TYR 3 0.537 9.560 -1.615 20 HD1 TYR 3 HD1 TYR 3 3.578 10.290 0.173 21 HD2 TYR 3 HD2 TYR 3 1.059 11.625 -3.041 22 HE1 TYR 3 HE1 TYR 3 5.458 11.615 -0.751 23 HE2 TYR 3 HE2 TYR 3 2.940 12.951 -3.964 24 HH TYR 3 HH TYR 3 6.057 13.148 -2.262 25 H THR 4 HN THR 4 -1.792 10.100 -1.585 26 HA THR 4 HA THR 4 -3.036 8.422 0.478 27 HB THR 4 HB THR 4 -4.746 10.573 -0.770 28 HG1 THR 4 HG1 THR 4 -3.104 11.554 0.474 29 1HG2 THR 4 1HG2 THR 4 -5.580 9.763 1.815 30 2HG2 THR 4 2HG2 THR 4 -5.159 8.295 0.932 31 3HG2 THR 4 3HG2 THR 4 -6.358 9.408 0.272 32 H VAL 5 HN VAL 5 -4.334 6.817 -0.443 33 HA VAL 5 HA VAL 5 -4.714 6.952 -3.406 34 HB VAL 5 HB VAL 5 -4.134 4.363 -1.976 35 1HG1 VAL 5 1HG1 VAL 5 -3.032 4.232 -4.459 36 2HG1 VAL 5 2HG1 VAL 5 -4.346 5.370 -4.755 37 3HG1 VAL 5 3HG1 VAL 5 -4.696 3.767 -4.107 38 1HG2 VAL 5 1HG2 VAL 5 -1.751 5.030 -3.169 39 2HG2 VAL 5 2HG2 VAL 5 -2.086 5.210 -1.448 40 3HG2 VAL 5 3HG2 VAL 5 -2.274 6.588 -2.532 41 H LYS 6 HN LYS 6 -6.862 7.759 -2.419 42 HA LYS 6 HA LYS 6 -8.626 6.184 -0.924 43 1HB LYS 6 HB2 LYS 6 -9.185 8.469 -1.557 44 2HB LYS 6 HB1 LYS 6 -9.257 8.012 -3.259 45 1HG LYS 6 HG2 LYS 6 -10.948 6.201 -1.909 46 2HG LYS 6 HG1 LYS 6 -11.312 7.791 -1.236 47 1HD LYS 6 HD2 LYS 6 -11.048 7.447 -4.212 48 2HD LYS 6 HD1 LYS 6 -12.557 7.021 -3.406 49 1HE LYS 6 HE2 LYS 6 -11.307 9.662 -2.764 50 2HE LYS 6 HE1 LYS 6 -12.148 9.487 -4.305 51 1HZ LYS 6 HZ1 LYS 6 -13.786 10.173 -2.827 52 2HZ LYS 6 HZ2 LYS 6 -13.224 9.175 -1.571 53 3HZ LYS 6 HZ3 LYS 6 -14.015 8.494 -2.912 54 H LEU 7 HN LEU 7 -8.921 4.028 -1.324 55 HA LEU 7 HA LEU 7 -9.179 3.075 -4.104 56 1HB LEU 7 HB2 LEU 7 -9.503 0.839 -2.791 57 2HB LEU 7 HB1 LEU 7 -7.897 1.557 -2.854 58 HG LEU 7 HG LEU 7 -9.671 2.437 -0.633 59 1HD1 LEU 7 HD11 LEU 7 -9.731 -0.207 -1.061 60 2HD1 LEU 7 HD12 LEU 7 -9.651 0.468 0.567 61 3HD1 LEU 7 HD13 LEU 7 -8.185 -0.118 -0.218 62 1HD2 LEU 7 HD21 LEU 7 -7.674 3.136 0.152 63 2HD2 LEU 7 HD22 LEU 7 -6.947 2.585 -1.356 64 3HD2 LEU 7 HD23 LEU 7 -7.011 1.506 0.037 65 H GLY 8 HN GLY 8 -11.097 1.995 -4.840 66 1HA GLY 8 HA2 GLY 8 -13.381 1.149 -4.228 67 2HA GLY 8 HA1 GLY 8 -13.517 2.554 -3.170 68 H SER 9 HN SER 9 -12.856 1.821 -6.617 69 HA SER 9 HA SER 9 -13.470 4.338 -7.695 70 1HB SER 9 HB2 SER 9 -14.465 2.778 -9.627 71 2HB SER 9 HB1 SER 9 -12.731 2.901 -9.340 72 HG SER 9 HG SER 9 -13.185 0.752 -9.336 73 H ASP 10 HN ASP 10 -15.564 1.986 -6.265 74 HA ASP 10 HA ASP 10 -17.807 2.268 -5.574 75 1HB ASP 10 HB2 ASP 10 -17.115 4.838 -5.936 76 2HB ASP 10 HB1 ASP 10 -18.229 4.667 -7.294 77 H LYS 11 HN LYS 11 -16.795 0.914 -8.015 78 HA LYS 11 HA LYS 11 -19.333 0.990 -9.599 79 1HB LYS 11 HB2 LYS 11 -16.562 1.225 -10.460 80 2HB LYS 11 HB1 LYS 11 -17.362 -0.142 -11.238 81 1HG LYS 11 HG2 LYS 11 -19.323 1.563 -11.607 82 2HG LYS 11 HG1 LYS 11 -18.068 2.778 -11.357 83 1HD LYS 11 HD2 LYS 11 -18.092 2.400 -13.704 84 2HD LYS 11 HD1 LYS 11 -16.702 1.488 -13.112 85 1HE LYS 11 HE2 LYS 11 -17.593 -0.336 -14.089 86 2HE LYS 11 HE1 LYS 11 -18.872 -0.274 -12.877 87 1HZ LYS 11 HZ1 LYS 11 -18.887 1.102 -15.508 88 2HZ LYS 11 HZ2 LYS 11 -20.105 1.228 -14.332 89 3HZ LYS 11 HZ3 LYS 11 -19.803 -0.262 -15.090 90 H GLY 12 HN GLY 12 -18.217 -0.688 -7.250 91 1HA GLY 12 HA2 GLY 12 -19.003 -2.911 -6.709 92 2HA GLY 12 HA1 GLY 12 -19.013 -3.295 -8.431 93 H LEU 13 HN LEU 13 -16.220 -1.598 -7.537 94 HA LEU 13 HA LEU 13 -14.666 -3.952 -6.723 95 1HB LEU 13 HB2 LEU 13 -14.982 -3.491 -9.457 96 2HB LEU 13 HB1 LEU 13 -13.414 -2.776 -9.082 97 HG LEU 13 HG LEU 13 -13.251 -5.099 -7.673 98 1HD1 LEU 13 HD11 LEU 13 -14.725 -5.797 -10.227 99 2HD1 LEU 13 HD12 LEU 13 -15.489 -5.771 -8.638 100 3HD1 LEU 13 HD13 LEU 13 -14.183 -6.909 -8.969 101 1HD2 LEU 13 HD21 LEU 13 -11.842 -5.905 -9.522 102 2HD2 LEU 13 HD22 LEU 13 -11.596 -4.175 -9.281 103 3HD2 LEU 13 HD23 LEU 13 -12.596 -4.747 -10.618 104 H LEU 14 HN LEU 14 -12.705 -3.331 -5.760 105 HA LEU 14 HA LEU 14 -12.350 -0.389 -5.458 106 1HB LEU 14 HB2 LEU 14 -10.876 -2.421 -3.810 107 2HB LEU 14 HB1 LEU 14 -11.392 -0.795 -3.369 108 HG LEU 14 HG LEU 14 -13.013 -3.327 -3.483 109 1HD1 LEU 14 HD11 LEU 14 -12.107 -1.384 -1.506 110 2HD1 LEU 14 HD12 LEU 14 -12.742 -3.012 -1.264 111 3HD1 LEU 14 HD13 LEU 14 -13.847 -1.647 -1.421 112 1HD2 LEU 14 HD21 LEU 14 -14.853 -1.306 -3.017 113 2HD2 LEU 14 HD22 LEU 14 -14.692 -2.210 -4.523 114 3HD2 LEU 14 HD23 LEU 14 -13.879 -0.656 -4.336 115 H VAL 15 HN VAL 15 -10.362 0.581 -5.959 116 HA VAL 15 HA VAL 15 -8.096 -1.095 -6.805 117 HB VAL 15 HB VAL 15 -8.041 0.284 -9.021 118 1HG1 VAL 15 1HG1 VAL 15 -8.672 -1.659 -10.001 119 2HG1 VAL 15 2HG1 VAL 15 -10.272 -1.613 -9.259 120 3HG1 VAL 15 3HG1 VAL 15 -8.899 -2.253 -8.356 121 1HG2 VAL 15 1HG2 VAL 15 -9.891 1.795 -8.451 122 2HG2 VAL 15 2HG2 VAL 15 -10.979 0.421 -8.267 123 3HG2 VAL 15 3HG2 VAL 15 -10.324 0.820 -9.855 124 H PHE 16 HN PHE 16 -6.247 -0.057 -6.199 125 HA PHE 16 HA PHE 16 -6.180 2.361 -4.803 126 1HB PHE 16 HB2 PHE 16 -4.084 0.950 -6.453 127 2HB PHE 16 HB1 PHE 16 -3.724 2.466 -5.627 128 HD1 PHE 16 HD1 PHE 16 -5.056 -0.977 -5.067 129 HD2 PHE 16 HD2 PHE 16 -3.229 2.494 -3.318 130 HE1 PHE 16 HE1 PHE 16 -4.743 -2.214 -2.940 131 HE2 PHE 16 HE2 PHE 16 -2.916 1.258 -1.190 132 HZ PHE 16 HZ PHE 16 -3.673 -1.098 -1.003 133 H GLU 17 HN GLU 17 -5.957 4.525 -5.392 134 HA GLU 17 HA GLU 17 -5.869 5.132 -8.306 135 1HB GLU 17 HB2 GLU 17 -7.926 6.011 -6.292 136 2HB GLU 17 HB1 GLU 17 -7.583 6.993 -7.716 137 1HG GLU 17 HG2 GLU 17 -7.891 4.767 -9.035 138 2HG GLU 17 HG1 GLU 17 -8.711 4.205 -7.578 139 HA PRO 18 HA PRO 18 -4.729 5.922 -9.487 140 1HB PRO 18 HB2 PRO 18 -2.068 6.245 -10.076 141 2HB PRO 18 HB1 PRO 18 -3.293 7.487 -10.370 142 1HG PRO 18 HG2 PRO 18 -1.206 7.361 -8.248 143 2HG PRO 18 HG1 PRO 18 -1.998 8.776 -8.961 144 1HD PRO 18 HD2 PRO 18 -2.603 7.631 -6.454 145 2HD PRO 18 HD1 PRO 18 -3.595 8.817 -7.328 146 H ALA 19 HN ALA 19 -3.048 4.159 -10.431 147 HA ALA 19 HA ALA 19 -2.873 2.090 -8.381 148 1HB ALA 19 HB1 ALA 19 -1.585 1.232 -10.755 149 2HB ALA 19 HB2 ALA 19 -2.973 2.199 -11.254 150 3HB ALA 19 HB3 ALA 19 -3.204 0.806 -10.197 151 H LYS 20 HN LYS 20 -0.928 4.629 -8.992 152 HA LYS 20 HA LYS 20 1.442 3.179 -7.961 153 1HB LYS 20 HB2 LYS 20 2.924 4.286 -9.612 154 2HB LYS 20 HB1 LYS 20 1.765 3.214 -10.400 155 1HG LYS 20 HG2 LYS 20 0.285 5.398 -10.514 156 2HG LYS 20 HG1 LYS 20 1.842 6.212 -10.353 157 1HD LYS 20 HD2 LYS 20 2.563 5.542 -12.420 158 2HD LYS 20 HD1 LYS 20 1.723 3.993 -12.325 159 1HE LYS 20 HE2 LYS 20 -0.347 4.941 -12.962 160 2HE LYS 20 HE1 LYS 20 0.193 6.580 -12.596 161 1HZ LYS 20 HZ1 LYS 20 0.793 6.766 -14.705 162 2HZ LYS 20 HZ2 LYS 20 0.411 5.141 -15.017 163 3HZ LYS 20 HZ3 LYS 20 1.962 5.562 -14.465 164 H LEU 21 HN LEU 21 3.060 4.714 -7.060 165 HA LEU 21 HA LEU 21 2.242 7.512 -6.741 166 1HB LEU 21 HB2 LEU 21 1.492 5.520 -4.790 167 2HB LEU 21 HB1 LEU 21 2.633 6.658 -4.073 168 HG LEU 21 HG LEU 21 0.266 7.601 -5.696 169 1HD1 LEU 21 HD11 LEU 21 -1.156 7.422 -3.918 170 2HD1 LEU 21 HD12 LEU 21 0.119 7.732 -2.740 171 3HD1 LEU 21 HD13 LEU 21 -0.068 6.121 -3.434 172 1HD2 LEU 21 HD21 LEU 21 0.933 9.682 -5.061 173 2HD2 LEU 21 HD22 LEU 21 2.481 8.909 -4.722 174 3HD2 LEU 21 HD23 LEU 21 1.317 9.157 -3.422 175 H THR 22 HN THR 22 4.038 8.770 -6.357 176 HA THR 22 HA THR 22 6.601 7.308 -5.915 177 HB THR 22 HB THR 22 6.004 10.028 -7.113 178 HG1 THR 22 HG1 THR 22 6.845 9.044 -8.950 179 1HG2 THR 22 1HG2 THR 22 8.615 9.706 -7.598 180 2HG2 THR 22 2HG2 THR 22 8.523 8.815 -6.079 181 3HG2 THR 22 3HG2 THR 22 8.032 10.507 -6.139 182 H ILE 23 HN ILE 23 6.761 7.228 -3.669 183 HA ILE 23 HA ILE 23 6.343 9.737 -2.155 184 HB ILE 23 HB ILE 23 6.635 8.215 -0.152 185 1HG1 ILE 23 2HG1 ILE 23 6.053 5.790 -1.631 186 2HG1 ILE 23 1HG1 ILE 23 7.595 6.469 -2.146 187 1HG2 ILE 23 1HG2 ILE 23 4.438 8.755 -1.621 188 2HG2 ILE 23 2HG2 ILE 23 4.399 7.737 -0.181 189 3HG2 ILE 23 3HG2 ILE 23 4.471 6.999 -1.782 190 1HD1 ILE 23 HD11 ILE 23 7.794 4.889 -0.196 191 2HD1 ILE 23 HD12 ILE 23 6.834 6.020 0.756 192 3HD1 ILE 23 HD13 ILE 23 8.412 6.506 0.139 193 H LYS 24 HN LYS 24 8.019 9.976 -0.278 194 HA LYS 24 HA LYS 24 10.696 9.820 -1.539 195 1HB LYS 24 HB2 LYS 24 9.378 11.715 0.164 196 2HB LYS 24 HB1 LYS 24 10.798 11.101 1.012 197 1HG LYS 24 HG2 LYS 24 12.092 12.431 -0.260 198 2HG LYS 24 HG1 LYS 24 11.587 11.515 -1.679 199 1HD LYS 24 HD2 LYS 24 9.669 12.979 -2.000 200 2HD LYS 24 HD1 LYS 24 10.040 13.844 -0.508 201 1HE LYS 24 HE2 LYS 24 12.430 13.992 -1.867 202 2HE LYS 24 HE1 LYS 24 11.252 14.110 -3.174 203 1HZ LYS 24 HZ1 LYS 24 10.595 15.673 -0.844 204 2HZ LYS 24 HZ2 LYS 24 10.569 16.105 -2.487 205 3HZ LYS 24 HZ3 LYS 24 12.026 16.159 -1.614 206 HA PRO 25 HA PRO 25 12.158 6.766 1.243 207 1HB PRO 25 HB2 PRO 25 14.518 7.792 2.221 208 2HB PRO 25 HB1 PRO 25 14.321 7.186 0.567 209 1HG PRO 25 HG2 PRO 25 14.490 10.007 1.524 210 2HG PRO 25 HG1 PRO 25 14.934 9.327 -0.051 211 1HD PRO 25 HD2 PRO 25 12.571 10.762 0.519 212 2HD PRO 25 HD1 PRO 25 12.862 9.778 -0.932 213 H GLY 26 HN GLY 26 10.220 7.461 2.713 214 1HA GLY 26 HA2 GLY 26 10.225 7.141 5.250 215 2HA GLY 26 HA1 GLY 26 11.284 8.549 5.295 216 H ASP 27 HN ASP 27 8.606 8.341 3.042 217 HA ASP 27 HA ASP 27 7.419 10.729 4.308 218 1HB ASP 27 HB2 ASP 27 6.915 9.229 1.734 219 2HB ASP 27 HB1 ASP 27 5.809 10.482 2.300 220 H THR 28 HN THR 28 4.698 10.316 3.780 221 HA THR 28 HA THR 28 4.039 7.839 5.267 222 HB THR 28 HB THR 28 2.815 10.532 5.912 223 HG1 THR 28 HG1 THR 28 4.145 10.463 7.740 224 1HG2 THR 28 1HG2 THR 28 1.554 9.428 7.469 225 2HG2 THR 28 2HG2 THR 28 2.821 8.248 7.808 226 3HG2 THR 28 3HG2 THR 28 1.807 8.065 6.377 227 H VAL 29 HN VAL 29 2.775 6.756 3.836 228 HA VAL 29 HA VAL 29 0.911 8.291 2.125 229 HB VAL 29 HB VAL 29 1.280 5.327 1.910 230 1HG1 VAL 29 1HG1 VAL 29 1.319 6.293 -0.596 231 2HG1 VAL 29 2HG1 VAL 29 0.476 7.627 0.193 232 3HG1 VAL 29 3HG1 VAL 29 -0.189 5.995 0.269 233 1HG2 VAL 29 1HG2 VAL 29 3.546 5.721 1.877 234 2HG2 VAL 29 2HG2 VAL 29 3.349 7.420 1.449 235 3HG2 VAL 29 3HG2 VAL 29 3.190 6.175 0.210 236 H GLU 30 HN GLU 30 -1.308 8.114 2.411 237 HA GLU 30 HA GLU 30 -2.184 6.440 4.696 238 1HB GLU 30 HB2 GLU 30 -3.768 8.647 3.378 239 2HB GLU 30 HB1 GLU 30 -4.014 7.941 4.975 240 1HG GLU 30 HG2 GLU 30 -1.394 8.795 5.110 241 2HG GLU 30 HG1 GLU 30 -2.150 10.052 4.131 242 H PHE 31 HN PHE 31 -3.842 4.950 4.456 243 HA PHE 31 HA PHE 31 -5.129 4.694 1.787 244 1HB PHE 31 HB2 PHE 31 -4.401 2.111 3.020 245 2HB PHE 31 HB1 PHE 31 -4.306 2.616 1.335 246 HD1 PHE 31 HD1 PHE 31 -2.515 2.336 4.508 247 HD2 PHE 31 HD2 PHE 31 -2.330 3.899 0.511 248 HE1 PHE 31 HE1 PHE 31 -0.070 2.656 4.747 249 HE2 PHE 31 HE2 PHE 31 0.115 4.215 0.751 250 HZ PHE 31 HZ PHE 31 1.245 3.595 2.868 251 H LEU 32 HN LEU 32 -7.276 3.901 1.956 252 HA LEU 32 HA LEU 32 -8.161 3.006 4.636 253 1HB LEU 32 HB2 LEU 32 -10.187 4.529 4.374 254 2HB LEU 32 HB1 LEU 32 -8.660 5.341 4.725 255 HG LEU 32 HG LEU 32 -9.507 4.901 1.874 256 1HD1 LEU 32 HD11 LEU 32 -11.118 6.485 1.939 257 2HD1 LEU 32 HD12 LEU 32 -10.131 7.550 2.939 258 3HD1 LEU 32 HD13 LEU 32 -11.100 6.283 3.691 259 1HD2 LEU 32 HD21 LEU 32 -7.549 5.981 1.581 260 2HD2 LEU 32 HD22 LEU 32 -7.389 6.245 3.317 261 3HD2 LEU 32 HD23 LEU 32 -8.278 7.403 2.328 262 H ASN 33 HN ASN 33 -10.837 2.764 4.227 263 HA ASN 33 HA ASN 33 -10.988 0.911 1.887 264 1HB ASN 33 HB2 ASN 33 -12.208 -0.601 3.158 265 2HB ASN 33 HB1 ASN 33 -11.150 0.077 4.384 266 1HD2 ASN 33 HD21 ASN 33 -13.410 -1.063 5.326 267 2HD2 ASN 33 HD22 ASN 33 -14.522 0.107 5.827 268 H ASN 34 HN ASN 34 -13.055 0.860 0.744 269 HA ASN 34 HA ASN 34 -14.452 3.483 0.925 270 1HB ASN 34 HB2 ASN 34 -13.562 2.898 -1.280 271 2HB ASN 34 HB1 ASN 34 -14.460 1.382 -1.264 272 1HD2 ASN 34 HD21 ASN 34 -15.603 2.184 -3.243 273 2HD2 ASN 34 HD22 ASN 34 -16.868 3.304 -3.079 274 H LYS 35 HN LYS 35 -15.869 0.541 -0.415 275 HA LYS 35 HA LYS 35 -17.701 0.340 1.905 276 1HB LYS 35 HB2 LYS 35 -18.465 1.800 -0.290 277 2HB LYS 35 HB1 LYS 35 -19.071 0.197 -0.704 278 1HG LYS 35 HG2 LYS 35 -20.723 0.338 0.824 279 2HG LYS 35 HG1 LYS 35 -19.597 0.844 2.085 280 1HD LYS 35 HD2 LYS 35 -20.664 2.696 -0.065 281 2HD LYS 35 HD1 LYS 35 -21.359 2.562 1.551 282 1HE LYS 35 HE2 LYS 35 -18.666 2.889 2.081 283 2HE LYS 35 HE1 LYS 35 -18.913 3.931 0.680 284 1HZ LYS 35 HZ1 LYS 35 -19.567 5.363 2.278 285 2HZ LYS 35 HZ2 LYS 35 -20.009 4.139 3.370 286 3HZ LYS 35 HZ3 LYS 35 -21.050 4.561 2.095 287 H VAL 36 HN VAL 36 -15.572 -1.342 0.862 288 HA VAL 36 HA VAL 36 -17.108 -3.843 0.629 289 HB VAL 36 HB VAL 36 -15.130 -2.990 -1.511 290 1HG1 VAL 36 1HG1 VAL 36 -15.251 -5.139 -2.390 291 2HG1 VAL 36 2HG1 VAL 36 -16.803 -5.476 -1.624 292 3HG1 VAL 36 3HG1 VAL 36 -15.325 -5.493 -0.665 293 1HG2 VAL 36 1HG2 VAL 36 -17.074 -3.108 -3.010 294 2HG2 VAL 36 2HG2 VAL 36 -17.378 -1.955 -1.712 295 3HG2 VAL 36 3HG2 VAL 36 -18.108 -3.559 -1.654 296 HA PRO 37 HA PRO 37 -13.058 -3.995 2.918 297 1HB PRO 37 HB2 PRO 37 -14.151 -4.378 5.412 298 2HB PRO 37 HB1 PRO 37 -13.793 -2.780 4.738 299 1HG PRO 37 HG2 PRO 37 -16.430 -4.121 5.092 300 2HG PRO 37 HG1 PRO 37 -16.050 -2.391 5.022 301 1HD PRO 37 HD2 PRO 37 -17.140 -3.950 2.917 302 2HD PRO 37 HD1 PRO 37 -16.482 -2.305 2.775 303 HA PRO 38 HA PRO 38 -12.358 -4.709 5.081 304 1HB PRO 38 HB2 PRO 38 -10.474 -6.509 5.931 305 2HB PRO 38 HB1 PRO 38 -12.034 -6.293 6.742 306 1HG PRO 38 HG2 PRO 38 -11.118 -8.544 5.033 307 2HG PRO 38 HG1 PRO 38 -12.384 -8.519 6.270 308 1HD PRO 38 HD2 PRO 38 -12.751 -8.397 3.435 309 2HD PRO 38 HD1 PRO 38 -14.001 -8.214 4.685 310 H HIS 39 HN HIS 39 -9.706 -4.647 5.101 311 HA HIS 39 HA HIS 39 -8.728 -5.275 2.364 312 1HB HIS 39 HB2 HIS 39 -8.690 -2.575 3.722 313 2HB HIS 39 HB1 HIS 39 -7.585 -2.979 2.408 314 HD2 HIS 39 HD2 HIS 39 -11.477 -2.519 2.944 315 HE1 HIS 39 HE1 HIS 39 -10.676 -2.485 -1.198 316 HE2 HIS 39 HE2 HIS 39 -12.484 -2.268 0.561 317 H ASN 40 HN ASN 40 -6.359 -5.258 2.242 318 HA ASN 40 HA ASN 40 -4.970 -5.377 4.867 319 1HB ASN 40 HB2 ASN 40 -5.754 -7.689 3.742 320 2HB ASN 40 HB1 ASN 40 -4.257 -7.450 2.840 321 1HD2 ASN 40 HD21 ASN 40 -4.016 -9.591 4.393 322 2HD2 ASN 40 HD22 ASN 40 -3.191 -9.277 5.843 323 H VAL 41 HN VAL 41 -3.288 -3.980 4.688 324 HA VAL 41 HA VAL 41 -2.198 -3.415 1.981 325 HB VAL 41 HB VAL 41 -2.117 -1.948 4.618 326 1HG1 VAL 41 1HG1 VAL 41 0.120 -1.663 3.885 327 2HG1 VAL 41 2HG1 VAL 41 -0.723 -0.243 3.265 328 3HG1 VAL 41 3HG1 VAL 41 -0.358 -1.592 2.189 329 1HG2 VAL 41 1HG2 VAL 41 -3.896 -1.851 2.588 330 2HG2 VAL 41 2HG2 VAL 41 -2.722 -0.673 2.000 331 3HG2 VAL 41 3HG2 VAL 41 -3.494 -0.441 3.568 332 H VAL 42 HN VAL 42 -0.501 -4.706 1.453 333 HA VAL 42 HA VAL 42 1.653 -5.055 3.486 334 HB VAL 42 HB VAL 42 0.759 -7.270 1.616 335 1HG1 VAL 42 1HG1 VAL 42 2.119 -8.660 3.151 336 2HG1 VAL 42 2HG1 VAL 42 2.539 -7.216 4.071 337 3HG1 VAL 42 3HG1 VAL 42 3.084 -7.388 2.404 338 1HG2 VAL 42 1HG2 VAL 42 -0.851 -7.893 3.071 339 2HG2 VAL 42 2HG2 VAL 42 -0.640 -6.337 3.869 340 3HG2 VAL 42 3HG2 VAL 42 0.253 -7.745 4.438 341 H PHE 43 HN PHE 43 3.753 -5.642 2.438 342 HA PHE 43 HA PHE 43 3.888 -4.506 -0.325 343 1HB PHE 43 HB2 PHE 43 6.141 -4.529 1.695 344 2HB PHE 43 HB1 PHE 43 6.011 -3.561 0.222 345 HD1 PHE 43 HD1 PHE 43 4.267 -1.747 0.082 346 HD2 PHE 43 HD2 PHE 43 5.120 -3.865 3.717 347 HE1 PHE 43 HE1 PHE 43 3.113 0.022 1.386 348 HE2 PHE 43 HE2 PHE 43 3.971 -2.101 5.005 349 HZ PHE 43 HZ PHE 43 2.972 -0.168 3.858 350 H ASP 44 HN ASP 44 4.418 -5.989 -1.829 351 HA ASP 44 HA ASP 44 4.964 -8.672 -1.460 352 1HB ASP 44 HB2 ASP 44 4.602 -7.469 -3.665 353 2HB ASP 44 HB1 ASP 44 6.307 -7.022 -3.614 354 H ALA 45 HN ALA 45 6.773 -9.919 -0.995 355 HA ALA 45 HA ALA 45 9.104 -8.452 0.065 356 1HB ALA 45 HB1 ALA 45 9.424 -11.255 0.392 357 2HB ALA 45 HB2 ALA 45 7.738 -10.881 0.753 358 3HB ALA 45 HB3 ALA 45 9.030 -10.063 1.632 359 H ALA 46 HN ALA 46 8.224 -9.650 -2.865 360 HA ALA 46 HA ALA 46 10.927 -10.722 -3.512 361 1HB ALA 46 HB1 ALA 46 8.748 -11.932 -4.172 362 2HB ALA 46 HB2 ALA 46 9.955 -11.709 -5.438 363 3HB ALA 46 HB3 ALA 46 8.545 -10.652 -5.367 364 H LEU 47 HN LEU 47 8.795 -8.012 -4.080 365 HA LEU 47 HA LEU 47 10.582 -6.963 -6.203 366 1HB LEU 47 HB2 LEU 47 7.849 -6.259 -5.186 367 2HB LEU 47 HB1 LEU 47 8.795 -5.022 -6.015 368 HG LEU 47 HG LEU 47 7.275 -6.409 -7.512 369 1HD1 LEU 47 HD11 LEU 47 8.995 -5.206 -8.605 370 2HD1 LEU 47 HD12 LEU 47 9.202 -6.862 -9.175 371 3HD1 LEU 47 HD13 LEU 47 10.261 -6.224 -7.917 372 1HD2 LEU 47 HD21 LEU 47 8.119 -8.537 -6.136 373 2HD2 LEU 47 HD22 LEU 47 9.354 -8.557 -7.394 374 3HD2 LEU 47 HD23 LEU 47 7.650 -8.671 -7.830 375 H ASN 48 HN ASN 48 12.161 -6.992 -4.152 376 HA ASN 48 HA ASN 48 11.887 -4.387 -2.717 377 1HB ASN 48 HB2 ASN 48 13.819 -5.469 -1.320 378 2HB ASN 48 HB1 ASN 48 12.167 -6.040 -1.076 379 1HD2 ASN 48 HD21 ASN 48 13.043 -8.175 -0.407 380 2HD2 ASN 48 HD22 ASN 48 13.618 -9.262 -1.577 381 HA PRO 49 HA PRO 49 15.296 -2.843 -5.024 382 1HB PRO 49 HB2 PRO 49 16.064 -0.853 -3.291 383 2HB PRO 49 HB1 PRO 49 14.632 -0.749 -4.328 384 1HG PRO 49 HG2 PRO 49 14.788 -1.238 -1.390 385 2HG PRO 49 HG1 PRO 49 13.480 -0.511 -2.338 386 1HD PRO 49 HD2 PRO 49 13.533 -3.163 -1.353 387 2HD PRO 49 HD1 PRO 49 12.413 -2.527 -2.577 388 H ALA 50 HN ALA 50 15.627 -4.356 -1.984 389 HA ALA 50 HA ALA 50 18.568 -4.568 -2.413 390 1HB ALA 50 HB1 ALA 50 17.417 -3.121 -0.332 391 2HB ALA 50 HB2 ALA 50 19.071 -3.731 -0.372 392 3HB ALA 50 HB3 ALA 50 17.801 -4.677 0.404 393 H LYS 51 HN LYS 51 16.341 -6.339 -3.076 394 HA LYS 51 HA LYS 51 15.561 -8.546 -2.670 395 1HB LYS 51 HB2 LYS 51 17.414 -10.142 -2.785 396 2HB LYS 51 HB1 LYS 51 17.709 -8.796 -3.885 397 1HG LYS 51 HG2 LYS 51 19.147 -7.726 -2.175 398 2HG LYS 51 HG1 LYS 51 18.876 -9.100 -1.103 399 1HD LYS 51 HD2 LYS 51 20.021 -10.595 -2.566 400 2HD LYS 51 HD1 LYS 51 20.006 -9.425 -3.888 401 1HE LYS 51 HE2 LYS 51 21.314 -7.933 -2.121 402 2HE LYS 51 HE1 LYS 51 21.735 -9.507 -1.450 403 1HZ LYS 51 HZ1 LYS 51 23.103 -8.359 -3.400 404 2HZ LYS 51 HZ2 LYS 51 21.977 -9.221 -4.334 405 3HZ LYS 51 HZ3 LYS 51 22.979 -10.042 -3.234 406 H SER 52 HN SER 52 15.426 -7.001 -0.260 407 HA SER 52 HA SER 52 16.334 -8.977 1.791 408 1HB SER 52 HB2 SER 52 15.372 -6.159 2.310 409 2HB SER 52 HB1 SER 52 16.276 -7.210 3.396 410 HG SER 52 HG SER 52 17.590 -5.632 2.337 411 H ALA 53 HN ALA 53 14.515 -8.029 3.805 412 HA ALA 53 HA ALA 53 11.788 -8.187 2.854 413 1HB ALA 53 HB1 ALA 53 11.255 -10.418 3.777 414 2HB ALA 53 HB2 ALA 53 12.961 -10.665 4.154 415 3HB ALA 53 HB3 ALA 53 12.438 -10.536 2.474 416 H ASP 54 HN ASP 54 13.409 -6.601 4.705 417 HA ASP 54 HA ASP 54 12.061 -7.256 7.272 418 1HB ASP 54 HB2 ASP 54 14.732 -6.879 6.855 419 2HB ASP 54 HB1 ASP 54 14.225 -5.248 7.295 420 H LEU 55 HN LEU 55 12.893 -4.582 5.075 421 HA LEU 55 HA LEU 55 11.745 -2.431 6.414 422 1HB LEU 55 HB2 LEU 55 11.574 -1.338 4.327 423 2HB LEU 55 HB1 LEU 55 12.862 -2.516 4.073 424 HG LEU 55 HG LEU 55 10.866 -4.077 3.325 425 1HD1 LEU 55 HD11 LEU 55 9.452 -1.776 3.920 426 2HD1 LEU 55 HD12 LEU 55 8.873 -3.087 2.893 427 3HD1 LEU 55 HD13 LEU 55 9.640 -1.673 2.169 428 1HD2 LEU 55 HD21 LEU 55 11.439 -1.944 1.322 429 2HD2 LEU 55 HD22 LEU 55 11.576 -3.695 1.168 430 3HD2 LEU 55 HD23 LEU 55 12.826 -2.784 2.013 431 H ALA 56 HN ALA 56 10.104 -5.065 4.739 432 HA ALA 56 HA ALA 56 7.466 -3.815 5.039 433 1HB ALA 56 HB1 ALA 56 7.927 -5.297 3.122 434 2HB ALA 56 HB2 ALA 56 6.625 -5.951 4.117 435 3HB ALA 56 HB3 ALA 56 8.247 -6.633 4.227 436 H LYS 57 HN LYS 57 9.367 -6.348 6.638 437 HA LYS 57 HA LYS 57 7.467 -7.517 8.298 438 1HB LYS 57 HB2 LYS 57 9.832 -8.178 8.327 439 2HB LYS 57 HB1 LYS 57 10.266 -6.640 9.075 440 1HG LYS 57 HG2 LYS 57 9.736 -7.415 11.121 441 2HG LYS 57 HG1 LYS 57 8.139 -7.918 10.566 442 1HD LYS 57 HD2 LYS 57 10.291 -9.644 9.572 443 2HD LYS 57 HD1 LYS 57 10.174 -9.630 11.332 444 1HE LYS 57 HE2 LYS 57 8.186 -10.724 11.327 445 2HE LYS 57 HE1 LYS 57 7.571 -9.785 9.966 446 1HZ LYS 57 HZ1 LYS 57 9.715 -11.562 9.258 447 2HZ LYS 57 HZ2 LYS 57 8.201 -11.340 8.520 448 3HZ LYS 57 HZ3 LYS 57 8.353 -12.375 9.859 449 H SER 58 HN SER 58 8.822 -4.278 8.506 450 HA SER 58 HA SER 58 7.081 -3.786 10.890 451 1HB SER 58 HB2 SER 58 8.618 -1.802 11.270 452 2HB SER 58 HB1 SER 58 9.373 -3.378 11.488 453 HG SER 58 HG SER 58 10.686 -2.092 10.195 454 H LEU 59 HN LEU 59 6.264 -3.728 8.051 455 HA LEU 59 HA LEU 59 5.428 -0.860 7.949 456 1HB LEU 59 HB2 LEU 59 7.223 -1.724 6.201 457 2HB LEU 59 HB1 LEU 59 5.809 -2.409 5.410 458 HG LEU 59 HG LEU 59 4.752 -0.092 5.595 459 1HD1 LEU 59 HD11 LEU 59 6.113 1.772 6.102 460 2HD1 LEU 59 HD12 LEU 59 7.602 0.842 5.931 461 3HD1 LEU 59 HD13 LEU 59 6.558 0.586 7.329 462 1HD2 LEU 59 HD21 LEU 59 6.340 -1.234 3.662 463 2HD2 LEU 59 HD22 LEU 59 7.157 0.306 3.931 464 3HD2 LEU 59 HD23 LEU 59 5.458 0.280 3.461 465 H SER 60 HN SER 60 4.746 -4.096 6.561 466 HA SER 60 HA SER 60 1.974 -3.391 6.025 467 1HB SER 60 HB2 SER 60 3.171 -6.167 6.134 468 2HB SER 60 HB1 SER 60 1.740 -5.650 5.248 469 HG SER 60 HG SER 60 4.431 -5.346 4.661 470 H HIS 61 HN HIS 61 0.139 -4.539 6.988 471 HA HIS 61 HA HIS 61 0.640 -5.273 9.846 472 1HB HIS 61 HB2 HIS 61 -1.371 -4.182 10.477 473 2HB HIS 61 HB1 HIS 61 -0.605 -3.068 9.342 474 HD1 HIS 61 HD1 HIS 61 -3.350 -5.690 9.487 475 HD2 HIS 61 HD2 HIS 61 -2.083 -2.565 7.024 476 HE1 HIS 61 HE1 HIS 61 -5.151 -5.380 7.726 477 H LYS 62 HN LYS 62 -0.558 -7.060 10.655 478 HA LYS 62 HA LYS 62 -1.531 -8.896 8.550 479 1HB LYS 62 HB2 LYS 62 -1.179 -9.328 11.533 480 2HB LYS 62 HB1 LYS 62 -1.551 -10.580 10.347 481 1HG LYS 62 HG2 LYS 62 0.688 -9.261 9.302 482 2HG LYS 62 HG1 LYS 62 1.019 -9.406 11.029 483 1HD LYS 62 HD2 LYS 62 1.650 -11.531 10.595 484 2HD LYS 62 HD1 LYS 62 -0.064 -11.880 10.365 485 1HE LYS 62 HE2 LYS 62 1.455 -10.697 8.076 486 2HE LYS 62 HE1 LYS 62 1.704 -12.402 8.449 487 1HZ LYS 62 HZ1 LYS 62 -0.432 -11.242 7.089 488 2HZ LYS 62 HZ2 LYS 62 -1.043 -11.833 8.560 489 3HZ LYS 62 HZ3 LYS 62 -0.220 -12.874 7.499 490 H GLN 63 HN GLN 63 -2.734 -7.724 11.716 491 HA GLN 63 HA GLN 63 -5.328 -8.713 11.622 492 1HB GLN 63 HB2 GLN 63 -4.133 -6.203 12.737 493 2HB GLN 63 HB1 GLN 63 -5.889 -6.376 12.744 494 1HG GLN 63 HG2 GLN 63 -4.426 -8.773 13.650 495 2HG GLN 63 HG1 GLN 63 -4.234 -7.364 14.694 496 1HE2 GLN 63 1HE2 GLN 63 -7.109 -8.268 12.738 497 2HE2 GLN 63 2HE2 GLN 63 -8.156 -8.415 14.065 498 H LEU 64 HN LEU 64 -6.888 -8.535 10.097 499 HA LEU 64 HA LEU 64 -6.706 -6.710 7.881 500 1HB LEU 64 HB2 LEU 64 -9.006 -8.389 8.926 501 2HB LEU 64 HB1 LEU 64 -9.060 -7.487 7.411 502 HG LEU 64 HG LEU 64 -6.854 -8.745 6.844 503 1HD1 LEU 64 HD11 LEU 64 -7.779 -10.076 9.332 504 2HD1 LEU 64 HD12 LEU 64 -6.152 -9.938 8.669 505 3HD1 LEU 64 HD13 LEU 64 -7.264 -11.148 8.031 506 1HD2 LEU 64 HD21 LEU 64 -8.108 -10.500 5.795 507 2HD2 LEU 64 HD22 LEU 64 -9.177 -9.099 5.853 508 3HD2 LEU 64 HD23 LEU 64 -9.377 -10.409 7.016 509 H LEU 65 HN LEU 65 -8.379 -5.009 7.390 510 HA LEU 65 HA LEU 65 -9.124 -3.593 9.916 511 1HB LEU 65 HB2 LEU 65 -9.207 -1.546 8.437 512 2HB LEU 65 HB1 LEU 65 -7.605 -2.269 8.591 513 HG LEU 65 HG LEU 65 -9.114 -3.455 6.400 514 1HD1 LEU 65 HD11 LEU 65 -9.335 -0.598 6.746 515 2HD1 LEU 65 HD12 LEU 65 -10.006 -1.611 5.467 516 3HD1 LEU 65 HD13 LEU 65 -8.378 -0.952 5.307 517 1HD2 LEU 65 HD21 LEU 65 -6.669 -3.649 6.753 518 2HD2 LEU 65 HD22 LEU 65 -6.505 -1.907 6.535 519 3HD2 LEU 65 HD23 LEU 65 -7.031 -2.918 5.190 520 H MET 66 HN MET 66 -11.220 -2.602 10.030 521 HA MET 66 HA MET 66 -13.165 -3.472 7.943 522 1HB MET 66 HB2 MET 66 -13.402 -3.865 10.936 523 2HB MET 66 HB1 MET 66 -14.768 -4.002 9.829 524 1HG MET 66 HG2 MET 66 -14.098 -6.032 9.077 525 2HG MET 66 HG1 MET 66 -12.412 -5.526 8.964 526 1HE MET 66 HE1 MET 66 -15.158 -7.041 10.538 527 2HE MET 66 HE2 MET 66 -15.082 -6.338 12.152 528 3HE MET 66 HE3 MET 66 -14.554 -7.999 11.897 529 H SER 67 HN SER 67 -11.812 -0.929 9.391 530 HA SER 67 HA SER 67 -14.183 0.593 10.141 531 1HB SER 67 HB2 SER 67 -11.820 0.941 11.057 532 2HB SER 67 HB1 SER 67 -11.441 1.710 9.519 533 HG SER 67 HG SER 67 -13.072 2.554 11.612 534 HA PRO 68 HA PRO 68 -15.100 1.819 5.983 535 1HB PRO 68 HB2 PRO 68 -17.084 3.600 6.633 536 2HB PRO 68 HB1 PRO 68 -17.304 1.842 6.628 537 1HG PRO 68 HG2 PRO 68 -17.035 3.693 8.949 538 2HG PRO 68 HG1 PRO 68 -17.839 2.117 8.857 539 1HD PRO 68 HD2 PRO 68 -15.284 2.620 9.977 540 2HD PRO 68 HD1 PRO 68 -15.968 1.025 9.599 541 H GLY 69 HN GLY 69 -13.080 2.993 5.541 542 1HA GLY 69 HA2 GLY 69 -12.614 5.218 4.524 543 2HA GLY 69 HA1 GLY 69 -13.416 5.948 5.912 544 H GLN 70 HN GLN 70 -11.093 3.278 6.112 545 HA GLN 70 HA GLN 70 -8.752 4.790 6.604 546 1HB GLN 70 HB2 GLN 70 -8.661 4.778 9.074 547 2HB GLN 70 HB1 GLN 70 -10.005 5.759 8.493 548 1HG GLN 70 HG2 GLN 70 -11.253 3.372 8.684 549 2HG GLN 70 HG1 GLN 70 -10.044 3.173 9.953 550 1HE2 GLN 70 1HE2 GLN 70 -12.165 5.875 8.813 551 2HE2 GLN 70 2HE2 GLN 70 -12.679 6.316 10.369 552 H SER 71 HN SER 71 -7.242 3.252 6.236 553 HA SER 71 HA SER 71 -7.822 0.481 7.180 554 1HB SER 71 HB2 SER 71 -6.438 -0.331 5.397 555 2HB SER 71 HB1 SER 71 -7.506 0.877 4.691 556 HG SER 71 HG SER 71 -4.913 0.835 4.580 557 H THR 72 HN THR 72 -4.781 2.134 6.313 558 HA THR 72 HA THR 72 -3.842 2.090 9.079 559 HB THR 72 HB THR 72 -3.430 -0.229 8.628 560 HG1 THR 72 HG1 THR 72 -1.209 -0.258 8.770 561 1HG2 THR 72 1HG2 THR 72 -3.071 -1.042 6.556 562 2HG2 THR 72 2HG2 THR 72 -1.704 0.042 6.297 563 3HG2 THR 72 3HG2 THR 72 -3.345 0.598 5.965 564 H SER 73 HN SER 73 -3.001 4.145 9.020 565 HA SER 73 HA SER 73 -1.670 5.168 6.622 566 1HB SER 73 HB2 SER 73 -2.982 6.631 8.187 567 2HB SER 73 HB1 SER 73 -1.755 6.349 9.418 568 HG SER 73 HG SER 73 -1.735 8.039 7.306 569 H THR 74 HN THR 74 0.023 3.580 6.431 570 HA THR 74 HA THR 74 1.923 3.157 8.579 571 HB THR 74 HB THR 74 1.979 2.488 5.629 572 HG1 THR 74 HG1 THR 74 1.712 0.889 7.954 573 1HG2 THR 74 1HG2 THR 74 4.205 2.227 5.879 574 2HG2 THR 74 2HG2 THR 74 3.826 0.876 6.947 575 3HG2 THR 74 3HG2 THR 74 4.109 2.480 7.622 576 H THR 75 HN THR 75 3.174 4.855 9.207 577 HA THR 75 HA THR 75 4.076 6.885 7.300 578 HB THR 75 HB THR 75 3.627 7.576 9.595 579 HG1 THR 75 HG1 THR 75 5.826 8.305 10.132 580 1HG2 THR 75 1HG2 THR 75 5.639 6.499 11.160 581 2HG2 THR 75 2HG2 THR 75 5.129 5.129 10.173 582 3HG2 THR 75 3HG2 THR 75 3.952 5.986 11.168 583 H PHE 76 HN PHE 76 5.276 5.585 5.811 584 HA PHE 76 HA PHE 76 7.120 3.621 6.149 585 1HB PHE 76 HB2 PHE 76 7.189 6.035 4.358 586 2HB PHE 76 HB1 PHE 76 8.521 4.878 4.333 587 HD1 PHE 76 HD1 PHE 76 8.321 2.830 3.171 588 HD2 PHE 76 HD2 PHE 76 4.793 5.120 4.050 589 HE1 PHE 76 HE1 PHE 76 6.975 1.288 1.775 590 HE2 PHE 76 HE2 PHE 76 3.450 3.577 2.652 591 HZ PHE 76 HZ PHE 76 4.539 1.663 1.514 592 HA PRO 77 HA PRO 77 10.308 5.000 8.809 593 1HB PRO 77 HB2 PRO 77 12.290 3.284 7.985 594 2HB PRO 77 HB1 PRO 77 10.919 2.790 8.987 595 1HG PRO 77 HG2 PRO 77 11.403 2.288 6.088 596 2HG PRO 77 HG1 PRO 77 10.477 1.325 7.252 597 1HD PRO 77 HD2 PRO 77 9.377 3.067 5.327 598 2HD PRO 77 HD1 PRO 77 8.520 2.407 6.735 599 H ALA 78 HN ALA 78 12.471 5.983 8.810 600 HA ALA 78 HA ALA 78 12.957 7.606 6.425 601 1HB ALA 78 HB1 ALA 78 13.999 7.489 9.217 602 2HB ALA 78 HB2 ALA 78 13.465 8.881 8.277 603 3HB ALA 78 HB3 ALA 78 15.060 8.185 7.994 604 H ASP 79 HN ASP 79 13.597 4.482 6.984 605 HA ASP 79 HA ASP 79 16.379 4.532 5.954 606 1HB ASP 79 HB2 ASP 79 16.217 2.026 6.346 607 2HB ASP 79 HB1 ASP 79 16.087 3.018 7.800 608 H ALA 80 HN ALA 80 13.247 4.496 4.793 609 HA ALA 80 HA ALA 80 12.844 2.668 2.829 610 1HB ALA 80 HB1 ALA 80 12.425 4.887 1.320 611 2HB ALA 80 HB2 ALA 80 12.475 5.605 2.929 612 3HB ALA 80 HB3 ALA 80 11.307 4.334 2.567 613 HA PRO 81 HA PRO 81 16.874 2.923 0.790 614 1HB PRO 81 HB2 PRO 81 16.727 0.390 -0.268 615 2HB PRO 81 HB1 PRO 81 17.267 0.735 1.384 616 1HG PRO 81 HG2 PRO 81 14.671 -0.403 0.455 617 2HG PRO 81 HG1 PRO 81 15.500 -0.619 2.006 618 1HD PRO 81 HD2 PRO 81 13.299 1.096 1.528 619 2HD PRO 81 HD1 PRO 81 14.345 1.116 2.964 620 H ALA 82 HN ALA 82 14.540 4.130 -0.411 621 HA ALA 82 HA ALA 82 13.589 4.616 -2.501 622 1HB ALA 82 HB1 ALA 82 15.591 4.126 -4.319 623 2HB ALA 82 HB2 ALA 82 16.497 4.291 -2.815 624 3HB ALA 82 HB3 ALA 82 15.445 5.599 -3.360 625 H GLY 83 HN GLY 83 13.564 3.635 -4.943 626 1HA GLY 83 HA2 GLY 83 13.388 1.653 -6.295 627 2HA GLY 83 HA1 GLY 83 13.553 0.675 -4.837 628 H GLU 84 HN GLU 84 11.631 -0.408 -5.915 629 HA GLU 84 HA GLU 84 9.094 1.036 -5.273 630 1HB GLU 84 HB2 GLU 84 8.048 -0.632 -6.836 631 2HB GLU 84 HB1 GLU 84 9.231 0.417 -7.619 632 1HG GLU 84 HG2 GLU 84 10.875 -1.280 -7.678 633 2HG GLU 84 HG1 GLU 84 10.035 -2.254 -6.471 634 H TYR 85 HN TYR 85 7.427 -0.196 -4.190 635 HA TYR 85 HA TYR 85 8.501 -2.538 -2.670 636 1HB TYR 85 HB2 TYR 85 6.330 -0.573 -1.866 637 2HB TYR 85 HB1 TYR 85 6.908 -1.922 -0.889 638 HD1 TYR 85 HD1 TYR 85 6.972 1.062 -0.124 639 HD2 TYR 85 HD2 TYR 85 9.872 -1.527 -1.953 640 HE1 TYR 85 HE1 TYR 85 8.803 2.486 0.756 641 HE2 TYR 85 HE2 TYR 85 11.699 -0.105 -1.074 642 HH TYR 85 HH TYR 85 12.044 2.174 -0.307 643 H THR 86 HN THR 86 5.675 -1.194 -4.334 644 HA THR 86 HA THR 86 3.866 -2.275 -5.359 645 HB THR 86 HB THR 86 5.717 -4.666 -5.127 646 HG1 THR 86 HG1 THR 86 6.707 -3.380 -6.496 647 1HG2 THR 86 1HG2 THR 86 3.014 -4.265 -6.308 648 2HG2 THR 86 2HG2 THR 86 3.744 -5.723 -5.634 649 3HG2 THR 86 3HG2 THR 86 4.171 -5.195 -7.262 650 H PHE 87 HN PHE 87 2.260 -2.188 -3.798 651 HA PHE 87 HA PHE 87 2.222 -4.352 -1.779 652 1HB PHE 87 HB2 PHE 87 0.219 -2.791 -0.938 653 2HB PHE 87 HB1 PHE 87 1.897 -2.479 -0.492 654 HD1 PHE 87 HD1 PHE 87 -0.761 -1.598 -2.939 655 HD2 PHE 87 HD2 PHE 87 3.027 -0.543 -1.224 656 HE1 PHE 87 HE1 PHE 87 -0.845 0.582 -4.101 657 HE2 PHE 87 HE2 PHE 87 2.949 1.640 -2.382 658 HZ PHE 87 HZ PHE 87 1.010 2.212 -3.826 659 H TYR 88 HN TYR 88 -0.196 -5.058 -1.280 660 HA TYR 88 HA TYR 88 -1.913 -4.986 -3.651 661 1HB TYR 88 HB2 TYR 88 -1.966 -7.461 -3.877 662 2HB TYR 88 HB1 TYR 88 -0.368 -6.799 -4.219 663 HD1 TYR 88 HD1 TYR 88 1.329 -6.710 -2.269 664 HD2 TYR 88 HD2 TYR 88 -2.231 -9.112 -2.218 665 HE1 TYR 88 HE1 TYR 88 2.304 -8.115 -0.473 666 HE2 TYR 88 HE2 TYR 88 -1.257 -10.517 -0.423 667 HH TYR 88 HH TYR 88 1.135 -11.099 0.363 668 H CYS 89 HN CYS 89 -3.576 -7.130 -2.991 669 HA CYS 89 HA CYS 89 -4.399 -6.584 -0.178 670 1HB CYS 89 HB2 CYS 89 -5.656 -5.353 -2.241 671 2HB CYS 89 HB1 CYS 89 -6.570 -6.860 -2.184 672 H GLU 90 HN GLU 90 -5.391 -8.359 0.831 673 HA GLU 90 HA GLU 90 -4.951 -10.933 -0.493 674 1HB GLU 90 HB2 GLU 90 -4.333 -10.951 1.780 675 2HB GLU 90 HB1 GLU 90 -5.798 -10.114 2.283 676 1HG GLU 90 HG2 GLU 90 -7.129 -12.110 1.584 677 2HG GLU 90 HG1 GLU 90 -5.620 -12.947 1.217 678 HA PRO 91 HA PRO 91 -9.710 -11.089 -0.065 679 1HB PRO 91 HB2 PRO 91 -11.013 -8.730 0.477 680 2HB PRO 91 HB1 PRO 91 -10.477 -9.867 1.725 681 1HG PRO 91 HG2 PRO 91 -9.315 -7.233 0.968 682 2HG PRO 91 HG1 PRO 91 -9.224 -8.097 2.512 683 1HD PRO 91 HD2 PRO 91 -7.183 -7.955 0.550 684 2HD PRO 91 HD1 PRO 91 -7.215 -9.037 1.957 685 H HIS 92 HN HIS 92 -8.745 -7.828 -1.239 686 HA HIS 92 HA HIS 92 -10.500 -8.153 -3.588 687 1HB HIS 92 HB2 HIS 92 -8.586 -5.908 -2.877 688 2HB HIS 92 HB1 HIS 92 -9.782 -5.876 -4.173 689 HD2 HIS 92 HD2 HIS 92 -12.518 -5.724 -3.257 690 HE1 HIS 92 HE1 HIS 92 -11.540 -4.874 0.740 691 HE2 HIS 92 HE2 HIS 92 -13.418 -5.006 -0.938 692 H ARG 93 HN ARG 93 -7.888 -9.731 -3.001 693 HA ARG 93 HA ARG 93 -5.875 -9.045 -4.845 694 1HB ARG 93 HB2 ARG 93 -5.468 -10.862 -3.337 695 2HB ARG 93 HB1 ARG 93 -6.876 -11.749 -3.922 696 1HG ARG 93 HG2 ARG 93 -5.787 -12.523 -5.773 697 2HG ARG 93 HG1 ARG 93 -4.878 -11.026 -5.987 698 1HD ARG 93 HD2 ARG 93 -3.134 -12.319 -5.261 699 2HD ARG 93 HD1 ARG 93 -3.778 -11.900 -3.673 700 HE ARG 93 HE ARG 93 -5.187 -14.143 -4.182 701 1HH1 ARG 93 HH11 ARG 93 -2.914 -14.577 -6.274 702 2HH1 ARG 93 HH12 ARG 93 -1.900 -15.667 -5.387 703 1HH2 ARG 93 HH21 ARG 93 -3.434 -15.037 -2.342 704 2HH2 ARG 93 HH22 ARG 93 -2.198 -15.930 -3.163 705 H GLY 94 HN GLY 94 -5.707 -9.190 -7.064 706 1HA GLY 94 HA2 GLY 94 -6.257 -9.971 -9.255 707 2HA GLY 94 HA1 GLY 94 -7.667 -10.789 -8.583 708 H ALA 95 HN ALA 95 -7.923 -7.909 -7.174 709 HA ALA 95 HA ALA 95 -9.691 -6.886 -9.335 710 1HB ALA 95 HB1 ALA 95 -9.552 -6.396 -6.357 711 2HB ALA 95 HB2 ALA 95 -10.882 -7.083 -7.290 712 3HB ALA 95 HB3 ALA 95 -10.508 -5.365 -7.423 713 H GLY 96 HN GLY 96 -6.864 -6.522 -9.624 714 1HA GLY 96 HA2 GLY 96 -5.351 -4.818 -10.175 715 2HA GLY 96 HA1 GLY 96 -6.746 -3.742 -10.238 716 H MET 97 HN MET 97 -6.443 -5.316 -7.234 717 HA MET 97 HA MET 97 -5.753 -2.781 -5.935 718 1HB MET 97 HB2 MET 97 -6.684 -5.478 -5.057 719 2HB MET 97 HB1 MET 97 -5.811 -4.495 -3.882 720 1HG MET 97 HG2 MET 97 -7.710 -2.835 -5.256 721 2HG MET 97 HG1 MET 97 -8.536 -4.268 -4.643 722 1HE MET 97 HE1 MET 97 -7.839 -1.035 -4.276 723 2HE MET 97 HE2 MET 97 -7.737 -0.580 -2.578 724 3HE MET 97 HE3 MET 97 -9.241 -1.237 -3.216 725 H VAL 98 HN VAL 98 -3.564 -3.254 -7.375 726 HA VAL 98 HA VAL 98 -1.596 -4.165 -5.336 727 HB VAL 98 HB VAL 98 -1.424 -4.946 -8.260 728 1HG1 VAL 98 1HG1 VAL 98 0.586 -5.914 -7.738 729 2HG1 VAL 98 2HG1 VAL 98 0.073 -6.337 -6.105 730 3HG1 VAL 98 3HG1 VAL 98 0.590 -4.691 -6.468 731 1HG2 VAL 98 1HG2 VAL 98 -2.285 -7.053 -7.737 732 2HG2 VAL 98 2HG2 VAL 98 -3.283 -6.018 -6.719 733 3HG2 VAL 98 3HG2 VAL 98 -1.918 -6.888 -6.021 734 H GLY 99 HN GLY 99 -1.568 -1.685 -5.251 735 1HA GLY 99 HA2 GLY 99 -0.312 -0.326 -7.511 736 2HA GLY 99 HA1 GLY 99 -0.681 0.398 -5.948 737 H LYS 100 HN LYS 100 1.671 1.231 -6.498 738 HA LYS 100 HA LYS 100 3.510 -0.451 -4.914 739 1HB LYS 100 HB2 LYS 100 4.551 0.565 -7.533 740 2HB LYS 100 HB1 LYS 100 5.111 -0.798 -6.563 741 1HG LYS 100 HG2 LYS 100 3.089 -2.067 -7.153 742 2HG LYS 100 HG1 LYS 100 2.497 -0.699 -8.097 743 1HD LYS 100 HD2 LYS 100 5.219 -1.428 -8.844 744 2HD LYS 100 HD1 LYS 100 4.098 -2.776 -9.047 745 1HE LYS 100 HE2 LYS 100 3.246 -1.823 -10.894 746 2HE LYS 100 HE1 LYS 100 2.829 -0.376 -9.977 747 1HZ LYS 100 HZ1 LYS 100 5.637 -0.639 -10.586 748 2HZ LYS 100 HZ2 LYS 100 4.615 0.711 -10.723 749 3HZ LYS 100 HZ3 LYS 100 4.648 -0.463 -11.952 750 H ILE 101 HN ILE 101 4.896 0.815 -3.725 751 HA ILE 101 HA ILE 101 4.642 3.735 -4.017 752 HB ILE 101 HB ILE 101 5.263 1.885 -1.871 753 1HG1 ILE 101 2HG1 ILE 101 4.550 4.807 -2.133 754 2HG1 ILE 101 1HG1 ILE 101 3.533 3.476 -1.586 755 1HG2 ILE 101 1HG2 ILE 101 7.030 3.209 -0.751 756 2HG2 ILE 101 2HG2 ILE 101 7.185 4.213 -2.192 757 3HG2 ILE 101 3HG2 ILE 101 7.616 2.505 -2.257 758 1HD1 ILE 101 HD11 ILE 101 5.318 5.168 -0.039 759 2HD1 ILE 101 HD12 ILE 101 5.738 3.467 0.162 760 3HD1 ILE 101 HD13 ILE 101 4.105 4.023 0.529 761 H THR 102 HN THR 102 6.034 4.820 -5.315 762 HA THR 102 HA THR 102 8.626 3.532 -6.017 763 HB THR 102 HB THR 102 7.701 6.068 -7.302 764 HG1 THR 102 HG1 THR 102 5.883 5.172 -7.807 765 1HG2 THR 102 1HG2 THR 102 9.275 5.456 -8.785 766 2HG2 THR 102 2HG2 THR 102 8.481 3.901 -9.038 767 3HG2 THR 102 3HG2 THR 102 9.665 4.087 -7.744 768 H VAL 103 HN VAL 103 10.078 4.071 -4.445 769 HA VAL 103 HA VAL 103 10.147 6.875 -3.467 770 HB VAL 103 HB VAL 103 11.750 4.500 -2.490 771 1HG1 VAL 103 1HG1 VAL 103 11.849 7.266 -1.926 772 2HG1 VAL 103 2HG1 VAL 103 12.655 5.969 -1.044 773 3HG1 VAL 103 3HG1 VAL 103 11.056 6.515 -0.541 774 1HG2 VAL 103 1HG2 VAL 103 8.921 5.162 -2.174 775 2HG2 VAL 103 2HG2 VAL 103 9.759 5.054 -0.626 776 3HG2 VAL 103 3HG2 VAL 103 9.780 3.685 -1.738 777 H ALA 104 HN ALA 104 10.972 7.316 -5.794 778 HA ALA 104 HA ALA 104 12.759 7.859 -7.218 779 1HB ALA 104 HB1 ALA 104 14.874 8.495 -6.011 780 2HB ALA 104 HB2 ALA 104 14.144 7.900 -4.520 781 3HB ALA 104 HB3 ALA 104 13.430 9.275 -5.364 782 H GLY 105 HN GLY 105 15.379 7.140 -7.361 783 1HA GLY 105 HA2 GLY 105 16.682 5.329 -8.110 784 2HA GLY 105 HA1 GLY 105 16.172 4.569 -6.602 Start of MODEL 10 1 1H GLU 1 HT1 GLU 1 5.065 16.295 5.137 2 2H GLU 1 HT2 GLU 1 6.165 15.791 3.945 3 3H GLU 1 HT3 GLU 1 5.451 14.651 4.982 4 HA GLU 1 HA GLU 1 3.449 16.150 3.651 5 1HB GLU 1 HB2 GLU 1 5.788 15.299 2.084 6 2HB GLU 1 HB1 GLU 1 4.257 14.669 1.473 7 1HG GLU 1 HG2 GLU 1 4.325 16.726 0.397 8 2HG GLU 1 HG1 GLU 1 3.443 17.157 1.863 9 H THR 2 HN THR 2 1.711 14.735 3.337 10 HA THR 2 HA THR 2 2.234 11.887 4.092 11 HB THR 2 HB THR 2 -0.368 13.379 4.496 12 HG1 THR 2 HG1 THR 2 1.971 13.304 5.992 13 1HG2 THR 2 1HG2 THR 2 -1.126 11.396 5.237 14 2HG2 THR 2 2HG2 THR 2 0.248 11.234 6.331 15 3HG2 THR 2 3HG2 THR 2 0.374 10.667 4.666 16 H TYR 3 HN TYR 3 2.248 10.847 2.124 17 HA TYR 3 HA TYR 3 0.363 11.628 0.008 18 1HB TYR 3 HB2 TYR 3 2.456 9.448 0.215 19 2HB TYR 3 HB1 TYR 3 1.431 9.672 -1.203 20 HD1 TYR 3 HD1 TYR 3 4.612 10.192 -0.315 21 HD2 TYR 3 HD2 TYR 3 1.219 12.538 -1.513 22 HE1 TYR 3 HE1 TYR 3 6.133 11.972 -1.135 23 HE2 TYR 3 HE2 TYR 3 2.739 14.317 -2.332 24 HH TYR 3 HH TYR 3 4.839 14.956 -2.606 25 H THR 4 HN THR 4 -1.729 10.994 0.330 26 HA THR 4 HA THR 4 -2.200 8.256 1.432 27 HB THR 4 HB THR 4 -4.132 10.589 1.267 28 HG1 THR 4 HG1 THR 4 -3.118 11.244 2.965 29 1HG2 THR 4 1HG2 THR 4 -5.617 9.263 2.536 30 2HG2 THR 4 2HG2 THR 4 -4.352 8.115 2.975 31 3HG2 THR 4 3HG2 THR 4 -4.977 8.151 1.326 32 H VAL 5 HN VAL 5 -3.713 6.892 0.338 33 HA VAL 5 HA VAL 5 -4.246 7.721 -2.488 34 HB VAL 5 HB VAL 5 -4.375 4.843 -1.747 35 1HG1 VAL 5 1HG1 VAL 5 -4.470 6.239 -4.071 36 2HG1 VAL 5 2HG1 VAL 5 -3.921 4.566 -3.971 37 3HG1 VAL 5 3HG1 VAL 5 -2.745 5.881 -3.998 38 1HG2 VAL 5 1HG2 VAL 5 -1.783 6.416 -1.860 39 2HG2 VAL 5 2HG2 VAL 5 -1.877 4.658 -1.970 40 3HG2 VAL 5 3HG2 VAL 5 -2.389 5.478 -0.495 41 H LYS 6 HN LYS 6 -6.293 6.841 -3.408 42 HA LYS 6 HA LYS 6 -8.358 6.387 -1.290 43 1HB LYS 6 HB2 LYS 6 -8.416 8.198 -3.702 44 2HB LYS 6 HB1 LYS 6 -9.911 7.585 -2.994 45 1HG LYS 6 HG2 LYS 6 -9.702 8.859 -1.107 46 2HG LYS 6 HG1 LYS 6 -7.945 8.710 -1.079 47 1HD LYS 6 HD2 LYS 6 -8.306 10.981 -1.620 48 2HD LYS 6 HD1 LYS 6 -7.983 10.223 -3.180 49 1HE LYS 6 HE2 LYS 6 -10.819 10.287 -2.257 50 2HE LYS 6 HE1 LYS 6 -10.110 11.810 -2.795 51 1HZ LYS 6 HZ1 LYS 6 -9.292 10.009 -4.662 52 2HZ LYS 6 HZ2 LYS 6 -10.575 11.109 -4.838 53 3HZ LYS 6 HZ3 LYS 6 -10.881 9.518 -4.329 54 H LEU 7 HN LEU 7 -8.660 4.182 -1.577 55 HA LEU 7 HA LEU 7 -8.881 3.093 -4.306 56 1HB LEU 7 HB2 LEU 7 -9.420 0.962 -2.846 57 2HB LEU 7 HB1 LEU 7 -7.764 1.536 -2.990 58 HG LEU 7 HG LEU 7 -9.441 2.671 -0.797 59 1HD1 LEU 7 HD11 LEU 7 -9.012 0.762 0.653 60 2HD1 LEU 7 HD12 LEU 7 -8.150 -0.069 -0.641 61 3HD1 LEU 7 HD13 LEU 7 -9.887 0.205 -0.773 62 1HD2 LEU 7 HD21 LEU 7 -6.651 2.443 -1.568 63 2HD2 LEU 7 HD22 LEU 7 -6.894 1.838 0.071 64 3HD2 LEU 7 HD23 LEU 7 -7.382 3.481 -0.344 65 H GLY 8 HN GLY 8 -10.822 1.529 -4.636 66 1HA GLY 8 HA2 GLY 8 -13.162 1.083 -4.445 67 2HA GLY 8 HA1 GLY 8 -13.271 2.343 -3.220 68 H SER 9 HN SER 9 -12.850 1.865 -6.724 69 HA SER 9 HA SER 9 -13.019 4.463 -7.668 70 1HB SER 9 HB2 SER 9 -14.121 3.572 -9.658 71 2HB SER 9 HB1 SER 9 -12.896 2.430 -9.110 72 HG SER 9 HG SER 9 -15.276 1.788 -9.596 73 H ASP 10 HN ASP 10 -15.944 2.430 -7.275 74 HA ASP 10 HA ASP 10 -17.436 4.130 -5.644 75 1HB ASP 10 HB2 ASP 10 -18.852 5.258 -7.524 76 2HB ASP 10 HB1 ASP 10 -17.308 5.983 -7.076 77 H LYS 11 HN LYS 11 -17.390 1.934 -8.366 78 HA LYS 11 HA LYS 11 -20.133 1.026 -7.594 79 1HB LYS 11 HB2 LYS 11 -19.698 1.845 -9.988 80 2HB LYS 11 HB1 LYS 11 -18.743 0.376 -10.195 81 1HG LYS 11 HG2 LYS 11 -20.830 -0.857 -9.268 82 2HG LYS 11 HG1 LYS 11 -21.694 0.634 -9.644 83 1HD LYS 11 HD2 LYS 11 -21.432 0.380 -11.922 84 2HD LYS 11 HD1 LYS 11 -19.914 -0.503 -11.755 85 1HE LYS 11 HE2 LYS 11 -21.207 -2.447 -10.844 86 2HE LYS 11 HE1 LYS 11 -22.696 -1.566 -11.187 87 1HZ LYS 11 HZ1 LYS 11 -21.095 -1.491 -13.474 88 2HZ LYS 11 HZ2 LYS 11 -22.589 -2.272 -13.265 89 3HZ LYS 11 HZ3 LYS 11 -21.141 -3.100 -12.941 90 H GLY 12 HN GLY 12 -18.129 0.117 -5.959 91 1HA GLY 12 HA2 GLY 12 -17.683 -2.043 -5.042 92 2HA GLY 12 HA1 GLY 12 -18.167 -2.766 -6.576 93 H LEU 13 HN LEU 13 -16.454 -1.172 -8.260 94 HA LEU 13 HA LEU 13 -14.028 -2.718 -8.025 95 1HB LEU 13 HB2 LEU 13 -15.064 -0.591 -9.834 96 2HB LEU 13 HB1 LEU 13 -13.314 -0.806 -9.777 97 HG LEU 13 HG LEU 13 -13.943 -3.368 -9.987 98 1HD1 LEU 13 HD11 LEU 13 -16.184 -2.260 -11.635 99 2HD1 LEU 13 HD12 LEU 13 -16.455 -2.506 -9.910 100 3HD1 LEU 13 HD13 LEU 13 -15.999 -3.868 -10.934 101 1HD2 LEU 13 HD21 LEU 13 -14.330 -1.766 -12.498 102 2HD2 LEU 13 HD22 LEU 13 -13.360 -3.216 -12.241 103 3HD2 LEU 13 HD23 LEU 13 -12.793 -1.658 -11.640 104 H LEU 14 HN LEU 14 -12.416 -2.309 -6.610 105 HA LEU 14 HA LEU 14 -11.985 0.522 -5.749 106 1HB LEU 14 HB2 LEU 14 -11.139 -1.905 -4.174 107 2HB LEU 14 HB1 LEU 14 -11.351 -0.257 -3.604 108 HG LEU 14 HG LEU 14 -13.814 -1.088 -4.763 109 1HD1 LEU 14 HD11 LEU 14 -12.767 -2.978 -2.643 110 2HD1 LEU 14 HD12 LEU 14 -12.896 -3.383 -4.356 111 3HD1 LEU 14 HD13 LEU 14 -14.349 -3.031 -3.421 112 1HD2 LEU 14 HD21 LEU 14 -14.045 -1.089 -1.962 113 2HD2 LEU 14 HD22 LEU 14 -14.327 0.280 -3.038 114 3HD2 LEU 14 HD23 LEU 14 -12.739 0.044 -2.308 115 H VAL 15 HN VAL 15 -10.253 1.295 -6.838 116 HA VAL 15 HA VAL 15 -7.828 -0.446 -7.005 117 HB VAL 15 HB VAL 15 -7.436 0.981 -9.188 118 1HG1 VAL 15 1HG1 VAL 15 -7.683 -1.446 -9.195 119 2HG1 VAL 15 2HG1 VAL 15 -8.666 -0.764 -10.491 120 3HG1 VAL 15 3HG1 VAL 15 -9.429 -1.298 -8.993 121 1HG2 VAL 15 1HG2 VAL 15 -9.458 1.664 -10.306 122 2HG2 VAL 15 2HG2 VAL 15 -9.506 2.371 -8.691 123 3HG2 VAL 15 3HG2 VAL 15 -10.464 0.936 -9.054 124 H PHE 16 HN PHE 16 -5.976 0.555 -6.273 125 HA PHE 16 HA PHE 16 -6.009 2.927 -4.791 126 1HB PHE 16 HB2 PHE 16 -3.766 1.603 -6.333 127 2HB PHE 16 HB1 PHE 16 -3.502 3.024 -5.322 128 HD1 PHE 16 HD1 PHE 16 -3.617 2.898 -2.910 129 HD2 PHE 16 HD2 PHE 16 -4.508 -0.536 -5.332 130 HE1 PHE 16 HE1 PHE 16 -3.523 1.454 -0.896 131 HE2 PHE 16 HE2 PHE 16 -4.414 -1.980 -3.317 132 HZ PHE 16 HZ PHE 16 -3.923 -0.984 -1.099 133 H GLU 17 HN GLU 17 -5.306 5.107 -5.307 134 HA GLU 17 HA GLU 17 -5.195 5.770 -8.199 135 1HB GLU 17 HB2 GLU 17 -7.271 6.676 -6.235 136 2HB GLU 17 HB1 GLU 17 -6.765 7.775 -7.518 137 1HG GLU 17 HG2 GLU 17 -7.838 6.581 -9.116 138 2HG GLU 17 HG1 GLU 17 -7.266 5.043 -8.467 139 HA PRO 18 HA PRO 18 -3.955 6.473 -9.335 140 1HB PRO 18 HB2 PRO 18 -1.257 6.583 -9.832 141 2HB PRO 18 HB1 PRO 18 -2.364 7.927 -10.147 142 1HG PRO 18 HG2 PRO 18 -0.369 7.599 -7.959 143 2HG PRO 18 HG1 PRO 18 -1.011 9.085 -8.679 144 1HD PRO 18 HD2 PRO 18 -1.800 7.971 -6.210 145 2HD PRO 18 HD1 PRO 18 -2.659 9.243 -7.103 146 H ALA 19 HN ALA 19 -2.470 4.557 -10.246 147 HA ALA 19 HA ALA 19 -2.580 2.423 -8.308 148 1HB ALA 19 HB1 ALA 19 -2.825 1.478 -10.376 149 2HB ALA 19 HB2 ALA 19 -1.065 1.381 -10.313 150 3HB ALA 19 HB3 ALA 19 -1.844 2.714 -11.165 151 H LYS 20 HN LYS 20 0.076 4.254 -9.807 152 HA LYS 20 HA LYS 20 1.942 3.042 -7.815 153 1HB LYS 20 HB2 LYS 20 3.663 4.241 -9.395 154 2HB LYS 20 HB1 LYS 20 2.920 2.732 -9.926 155 1HG LYS 20 HG2 LYS 20 1.534 3.790 -11.457 156 2HG LYS 20 HG1 LYS 20 1.541 5.313 -10.567 157 1HD LYS 20 HD2 LYS 20 3.194 6.070 -11.887 158 2HD LYS 20 HD1 LYS 20 4.230 4.755 -11.330 159 1HE LYS 20 HE2 LYS 20 2.388 3.619 -13.164 160 2HE LYS 20 HE1 LYS 20 2.998 5.097 -13.907 161 1HZ LYS 20 HZ1 LYS 20 5.252 4.348 -13.453 162 2HZ LYS 20 HZ2 LYS 20 4.419 3.221 -14.413 163 3HZ LYS 20 HZ3 LYS 20 4.658 2.920 -12.758 164 H LEU 21 HN LEU 21 2.975 4.402 -6.337 165 HA LEU 21 HA LEU 21 2.317 7.312 -6.555 166 1HB LEU 21 HB2 LEU 21 1.754 5.398 -4.406 167 2HB LEU 21 HB1 LEU 21 2.601 6.840 -3.843 168 HG LEU 21 HG LEU 21 0.231 7.070 -5.690 169 1HD1 LEU 21 HD11 LEU 21 -0.990 7.569 -3.423 170 2HD1 LEU 21 HD12 LEU 21 0.278 6.561 -2.725 171 3HD1 LEU 21 HD13 LEU 21 -0.804 5.896 -3.948 172 1HD2 LEU 21 HD21 LEU 21 0.087 9.294 -4.657 173 2HD2 LEU 21 HD22 LEU 21 1.710 9.031 -5.295 174 3HD2 LEU 21 HD23 LEU 21 1.409 8.889 -3.563 175 H THR 22 HN THR 22 4.092 8.588 -6.526 176 HA THR 22 HA THR 22 6.708 7.381 -5.864 177 HB THR 22 HB THR 22 6.139 10.210 -6.792 178 HG1 THR 22 HG1 THR 22 6.981 8.232 -8.553 179 1HG2 THR 22 1HG2 THR 22 8.471 9.954 -7.701 180 2HG2 THR 22 2HG2 THR 22 8.572 8.409 -6.856 181 3HG2 THR 22 3HG2 THR 22 8.379 9.904 -5.941 182 H ILE 23 HN ILE 23 6.784 7.262 -3.601 183 HA ILE 23 HA ILE 23 6.139 9.710 -2.070 184 HB ILE 23 HB ILE 23 6.487 8.160 -0.083 185 1HG1 ILE 23 2HG1 ILE 23 6.064 5.766 -1.693 186 2HG1 ILE 23 1HG1 ILE 23 7.609 6.530 -2.066 187 1HG2 ILE 23 1HG2 ILE 23 4.336 8.421 -1.914 188 2HG2 ILE 23 2HG2 ILE 23 4.254 7.974 -0.209 189 3HG2 ILE 23 3HG2 ILE 23 4.406 6.723 -1.443 190 1HD1 ILE 23 HD11 ILE 23 7.376 4.805 -0.044 191 2HD1 ILE 23 HD12 ILE 23 6.849 6.252 0.814 192 3HD1 ILE 23 HD13 ILE 23 8.446 6.202 0.067 193 H LYS 24 HN LYS 24 7.704 10.063 -0.136 194 HA LYS 24 HA LYS 24 10.400 10.277 -1.281 195 1HB LYS 24 HB2 LYS 24 8.863 11.678 0.724 196 2HB LYS 24 HB1 LYS 24 10.415 11.181 1.398 197 1HG LYS 24 HG2 LYS 24 11.370 12.911 0.316 198 2HG LYS 24 HG1 LYS 24 10.970 12.116 -1.207 199 1HD LYS 24 HD2 LYS 24 8.755 13.203 -1.199 200 2HD LYS 24 HD1 LYS 24 9.152 14.000 0.324 201 1HE LYS 24 HE2 LYS 24 9.623 15.618 -1.357 202 2HE LYS 24 HE1 LYS 24 11.194 14.966 -0.893 203 1HZ LYS 24 HZ1 LYS 24 10.176 13.327 -2.894 204 2HZ LYS 24 HZ2 LYS 24 11.504 14.381 -2.989 205 3HZ LYS 24 HZ3 LYS 24 9.953 14.924 -3.418 206 HA PRO 25 HA PRO 25 12.202 7.020 1.029 207 1HB PRO 25 HB2 PRO 25 14.487 8.144 2.062 208 2HB PRO 25 HB1 PRO 25 14.280 7.741 0.349 209 1HG PRO 25 HG2 PRO 25 14.230 10.415 1.668 210 2HG PRO 25 HG1 PRO 25 14.652 9.995 0.000 211 1HD PRO 25 HD2 PRO 25 12.191 11.098 0.861 212 2HD PRO 25 HD1 PRO 25 12.511 10.372 -0.729 213 H GLY 26 HN GLY 26 10.273 7.318 2.669 214 1HA GLY 26 HA2 GLY 26 10.529 6.667 5.145 215 2HA GLY 26 HA1 GLY 26 11.384 8.198 5.309 216 H ASP 27 HN ASP 27 9.172 9.038 3.131 217 HA ASP 27 HA ASP 27 7.578 10.596 4.836 218 1HB ASP 27 HB2 ASP 27 7.214 9.512 2.075 219 2HB ASP 27 HB1 ASP 27 5.804 10.201 2.878 220 H THR 28 HN THR 28 4.982 10.128 4.807 221 HA THR 28 HA THR 28 4.690 7.392 5.936 222 HB THR 28 HB THR 28 3.090 9.841 6.715 223 HG1 THR 28 HG1 THR 28 5.419 8.673 7.810 224 1HG2 THR 28 1HG2 THR 28 2.743 7.067 7.165 225 2HG2 THR 28 2HG2 THR 28 1.852 8.395 7.908 226 3HG2 THR 28 3HG2 THR 28 3.298 7.758 8.689 227 H VAL 29 HN VAL 29 3.423 6.137 4.678 228 HA VAL 29 HA VAL 29 1.477 7.444 2.873 229 HB VAL 29 HB VAL 29 2.061 4.505 2.818 230 1HG1 VAL 29 1HG1 VAL 29 1.413 6.661 0.793 231 2HG1 VAL 29 2HG1 VAL 29 0.413 5.286 1.260 232 3HG1 VAL 29 3HG1 VAL 29 1.889 5.028 0.331 233 1HG2 VAL 29 1HG2 VAL 29 3.851 6.619 1.580 234 2HG2 VAL 29 2HG2 VAL 29 4.071 4.871 1.507 235 3HG2 VAL 29 3HG2 VAL 29 4.256 5.718 3.042 236 H GLU 30 HN GLU 30 -0.521 7.640 3.782 237 HA GLU 30 HA GLU 30 -1.430 5.552 5.671 238 1HB GLU 30 HB2 GLU 30 -2.909 8.099 5.026 239 2HB GLU 30 HB1 GLU 30 -2.993 7.122 6.493 240 1HG GLU 30 HG2 GLU 30 -0.367 7.722 6.532 241 2HG GLU 30 HG1 GLU 30 -0.969 9.145 5.680 242 H PHE 31 HN PHE 31 -2.772 4.000 4.920 243 HA PHE 31 HA PHE 31 -4.187 4.509 2.343 244 1HB PHE 31 HB2 PHE 31 -3.983 1.776 3.552 245 2HB PHE 31 HB1 PHE 31 -3.976 2.251 1.854 246 HD1 PHE 31 HD1 PHE 31 -1.935 2.227 4.971 247 HD2 PHE 31 HD2 PHE 31 -1.926 2.710 0.701 248 HE1 PHE 31 HE1 PHE 31 0.541 2.186 4.970 249 HE2 PHE 31 HE2 PHE 31 0.551 2.668 0.704 250 HZ PHE 31 HZ PHE 31 1.784 2.407 2.838 251 H LEU 32 HN LEU 32 -6.444 3.867 2.194 252 HA LEU 32 HA LEU 32 -7.788 3.323 4.777 253 1HB LEU 32 HB2 LEU 32 -9.565 5.066 3.789 254 2HB LEU 32 HB1 LEU 32 -8.229 5.583 4.817 255 HG LEU 32 HG LEU 32 -7.550 5.372 1.953 256 1HD1 LEU 32 HD11 LEU 32 -8.887 7.906 2.388 257 2HD1 LEU 32 HD12 LEU 32 -10.016 6.568 2.607 258 3HD1 LEU 32 HD13 LEU 32 -9.127 6.733 1.092 259 1HD2 LEU 32 HD21 LEU 32 -5.908 6.675 2.780 260 2HD2 LEU 32 HD22 LEU 32 -6.735 6.766 4.334 261 3HD2 LEU 32 HD23 LEU 32 -7.094 7.946 3.074 262 H ASN 33 HN ASN 33 -10.297 3.043 4.226 263 HA ASN 33 HA ASN 33 -10.412 1.235 1.851 264 1HB ASN 33 HB2 ASN 33 -11.756 -0.201 3.061 265 2HB ASN 33 HB1 ASN 33 -10.843 0.507 4.383 266 1HD2 ASN 33 HD21 ASN 33 -13.401 -0.605 4.803 267 2HD2 ASN 33 HD22 ASN 33 -14.459 0.643 5.226 268 H ASN 34 HN ASN 34 -12.740 1.119 0.900 269 HA ASN 34 HA ASN 34 -13.834 3.904 0.804 270 1HB ASN 34 HB2 ASN 34 -12.813 2.714 -1.309 271 2HB ASN 34 HB1 ASN 34 -14.360 1.869 -1.342 272 1HD2 ASN 34 HD21 ASN 34 -15.668 2.910 -2.855 273 2HD2 ASN 34 HD22 ASN 34 -15.842 4.593 -2.994 274 H LYS 35 HN LYS 35 -15.163 0.720 -0.150 275 HA LYS 35 HA LYS 35 -17.114 0.742 2.000 276 1HB LYS 35 HB2 LYS 35 -18.001 2.453 0.320 277 2HB LYS 35 HB1 LYS 35 -18.217 1.101 -0.794 278 1HG LYS 35 HG2 LYS 35 -19.839 0.075 0.563 279 2HG LYS 35 HG1 LYS 35 -19.337 0.969 1.998 280 1HD LYS 35 HD2 LYS 35 -21.333 2.046 1.357 281 2HD LYS 35 HD1 LYS 35 -20.074 3.081 0.682 282 1HE LYS 35 HE2 LYS 35 -20.892 2.753 -1.386 283 2HE LYS 35 HE1 LYS 35 -20.656 1.014 -1.215 284 1HZ LYS 35 HZ1 LYS 35 -22.959 1.454 -1.619 285 2HZ LYS 35 HZ2 LYS 35 -23.024 2.580 -0.349 286 3HZ LYS 35 HZ3 LYS 35 -22.792 0.930 -0.015 287 H VAL 36 HN VAL 36 -15.116 -0.988 0.709 288 HA VAL 36 HA VAL 36 -16.822 -3.392 0.487 289 HB VAL 36 HB VAL 36 -14.706 -2.820 -1.602 290 1HG1 VAL 36 1HG1 VAL 36 -16.882 -4.893 -1.246 291 2HG1 VAL 36 2HG1 VAL 36 -15.144 -5.162 -1.380 292 3HG1 VAL 36 3HG1 VAL 36 -16.065 -4.630 -2.787 293 1HG2 VAL 36 1HG2 VAL 36 -16.500 -2.223 -3.130 294 2HG2 VAL 36 2HG2 VAL 36 -16.610 -1.178 -1.713 295 3HG2 VAL 36 3HG2 VAL 36 -17.714 -2.542 -1.891 296 HA PRO 37 HA PRO 37 -12.720 -3.757 2.714 297 1HB PRO 37 HB2 PRO 37 -13.758 -3.973 5.251 298 2HB PRO 37 HB1 PRO 37 -13.287 -2.431 4.516 299 1HG PRO 37 HG2 PRO 37 -16.021 -3.538 4.969 300 2HG PRO 37 HG1 PRO 37 -15.497 -1.849 4.871 301 1HD PRO 37 HD2 PRO 37 -16.783 -3.293 2.815 302 2HD PRO 37 HD1 PRO 37 -15.930 -1.746 2.632 303 HA PRO 38 HA PRO 38 -11.983 -4.436 4.823 304 1HB PRO 38 HB2 PRO 38 -10.210 -6.337 5.670 305 2HB PRO 38 HB1 PRO 38 -11.704 -5.957 6.543 306 1HG PRO 38 HG2 PRO 38 -11.061 -8.358 4.916 307 2HG PRO 38 HG1 PRO 38 -12.262 -8.166 6.202 308 1HD PRO 38 HD2 PRO 38 -12.748 -8.147 3.379 309 2HD PRO 38 HD1 PRO 38 -13.919 -7.807 4.672 310 H HIS 39 HN HIS 39 -9.764 -3.812 4.321 311 HA HIS 39 HA HIS 39 -8.747 -4.995 1.776 312 1HB HIS 39 HB2 HIS 39 -8.513 -2.168 2.853 313 2HB HIS 39 HB1 HIS 39 -7.635 -2.753 1.438 314 HD2 HIS 39 HD2 HIS 39 -11.416 -2.218 2.511 315 HE1 HIS 39 HE1 HIS 39 -11.235 -2.437 -1.701 316 HE2 HIS 39 HE2 HIS 39 -12.771 -2.176 0.295 317 H ASN 40 HN ASN 40 -6.824 -6.023 1.953 318 HA ASN 40 HA ASN 40 -5.259 -5.632 4.453 319 1HB ASN 40 HB2 ASN 40 -5.681 -7.858 2.549 320 2HB ASN 40 HB1 ASN 40 -4.036 -7.700 3.167 321 1HD2 ASN 40 HD21 ASN 40 -3.692 -8.033 5.468 322 2HD2 ASN 40 HD22 ASN 40 -4.895 -8.697 6.464 323 H VAL 41 HN VAL 41 -3.442 -4.406 4.356 324 HA VAL 41 HA VAL 41 -2.276 -3.873 1.660 325 HB VAL 41 HB VAL 41 -1.944 -2.295 4.229 326 1HG1 VAL 41 1HG1 VAL 41 -0.842 -0.662 2.892 327 2HG1 VAL 41 2HG1 VAL 41 -1.351 -1.437 1.392 328 3HG1 VAL 41 3HG1 VAL 41 -0.133 -2.204 2.411 329 1HG2 VAL 41 1HG2 VAL 41 -4.274 -2.281 3.328 330 2HG2 VAL 41 2HG2 VAL 41 -3.644 -1.708 1.784 331 3HG2 VAL 41 3HG2 VAL 41 -3.501 -0.698 3.223 332 H VAL 42 HN VAL 42 -0.594 -5.234 1.306 333 HA VAL 42 HA VAL 42 1.478 -5.437 3.438 334 HB VAL 42 HB VAL 42 0.963 -7.818 1.694 335 1HG1 VAL 42 1HG1 VAL 42 2.734 -7.255 3.705 336 2HG1 VAL 42 2HG1 VAL 42 2.233 -8.885 3.255 337 3HG1 VAL 42 3HG1 VAL 42 1.444 -8.060 4.599 338 1HG2 VAL 42 1HG2 VAL 42 -0.561 -8.561 3.718 339 2HG2 VAL 42 2HG2 VAL 42 -1.254 -7.622 2.396 340 3HG2 VAL 42 3HG2 VAL 42 -0.811 -6.825 3.905 341 H PHE 43 HN PHE 43 3.610 -6.216 2.441 342 HA PHE 43 HA PHE 43 3.820 -5.133 -0.338 343 1HB PHE 43 HB2 PHE 43 5.998 -5.086 1.768 344 2HB PHE 43 HB1 PHE 43 5.955 -4.204 0.237 345 HD1 PHE 43 HD1 PHE 43 4.982 -2.056 0.131 346 HD2 PHE 43 HD2 PHE 43 4.144 -4.616 3.471 347 HE1 PHE 43 HE1 PHE 43 3.784 -0.199 1.256 348 HE2 PHE 43 HE2 PHE 43 2.950 -2.762 4.590 349 HZ PHE 43 HZ PHE 43 2.776 -0.558 3.494 350 H ASP 44 HN ASP 44 3.983 -6.908 -1.623 351 HA ASP 44 HA ASP 44 4.872 -9.471 -0.964 352 1HB ASP 44 HB2 ASP 44 3.881 -8.449 -3.203 353 2HB ASP 44 HB1 ASP 44 5.583 -8.376 -3.660 354 H ALA 45 HN ALA 45 6.803 -10.121 -0.176 355 HA ALA 45 HA ALA 45 9.177 -8.444 -0.449 356 1HB ALA 45 HB1 ALA 45 8.683 -11.127 0.862 357 2HB ALA 45 HB2 ALA 45 8.890 -9.568 1.659 358 3HB ALA 45 HB3 ALA 45 10.258 -10.335 0.852 359 H ALA 46 HN ALA 46 7.724 -10.509 -2.545 360 HA ALA 46 HA ALA 46 10.273 -11.694 -3.529 361 1HB ALA 46 HB1 ALA 46 7.862 -12.397 -5.018 362 2HB ALA 46 HB2 ALA 46 7.704 -12.750 -3.297 363 3HB ALA 46 HB3 ALA 46 9.033 -13.449 -4.222 364 H LEU 47 HN LEU 47 8.092 -9.123 -4.143 365 HA LEU 47 HA LEU 47 9.202 -8.820 -6.906 366 1HB LEU 47 HB2 LEU 47 6.772 -7.356 -5.890 367 2HB LEU 47 HB1 LEU 47 7.223 -7.727 -7.555 368 HG LEU 47 HG LEU 47 6.594 -9.892 -5.542 369 1HD1 LEU 47 HD11 LEU 47 4.372 -9.583 -5.798 370 2HD1 LEU 47 HD12 LEU 47 4.534 -9.362 -7.540 371 3HD1 LEU 47 HD13 LEU 47 4.768 -7.993 -6.452 372 1HD2 LEU 47 HD21 LEU 47 7.872 -10.308 -7.742 373 2HD2 LEU 47 HD22 LEU 47 6.353 -9.933 -8.556 374 3HD2 LEU 47 HD23 LEU 47 6.446 -11.304 -7.450 375 H ASN 48 HN ASN 48 11.029 -7.995 -5.254 376 HA ASN 48 HA ASN 48 10.699 -5.030 -5.148 377 1HB ASN 48 HB2 ASN 48 12.189 -5.213 -3.027 378 2HB ASN 48 HB1 ASN 48 10.478 -5.610 -2.868 379 1HD2 ASN 48 HD21 ASN 48 10.787 -7.154 -1.138 380 2HD2 ASN 48 HD22 ASN 48 11.574 -8.638 -1.386 381 HA PRO 49 HA PRO 49 14.678 -4.951 -7.014 382 1HB PRO 49 HB2 PRO 49 15.676 -2.615 -5.948 383 2HB PRO 49 HB1 PRO 49 14.431 -2.660 -7.208 384 1HG PRO 49 HG2 PRO 49 14.143 -2.039 -4.308 385 2HG PRO 49 HG1 PRO 49 13.140 -1.525 -5.674 386 1HD PRO 49 HD2 PRO 49 12.508 -3.581 -3.838 387 2HD PRO 49 HD1 PRO 49 11.690 -3.271 -5.383 388 H ALA 50 HN ALA 50 14.327 -5.028 -3.594 389 HA ALA 50 HA ALA 50 17.080 -6.142 -3.332 390 1HB ALA 50 HB1 ALA 50 16.131 -3.700 -2.175 391 2HB ALA 50 HB2 ALA 50 17.697 -4.478 -1.944 392 3HB ALA 50 HB3 ALA 50 16.349 -4.874 -0.877 393 H LYS 51 HN LYS 51 15.746 -8.147 -3.525 394 HA LYS 51 HA LYS 51 13.656 -9.079 -2.066 395 1HB LYS 51 HB2 LYS 51 14.799 -11.297 -1.944 396 2HB LYS 51 HB1 LYS 51 14.922 -10.549 -3.537 397 1HG LYS 51 HG2 LYS 51 17.101 -9.715 -1.795 398 2HG LYS 51 HG1 LYS 51 17.051 -11.469 -1.976 399 1HD LYS 51 HD2 LYS 51 16.767 -9.702 -4.394 400 2HD LYS 51 HD1 LYS 51 18.367 -10.056 -3.741 401 1HE LYS 51 HE2 LYS 51 17.072 -12.533 -3.779 402 2HE LYS 51 HE1 LYS 51 16.595 -11.766 -5.293 403 1HZ LYS 51 HZ1 LYS 51 18.819 -13.089 -5.115 404 2HZ LYS 51 HZ2 LYS 51 19.405 -11.632 -4.468 405 3HZ LYS 51 HZ3 LYS 51 18.737 -11.664 -6.030 406 H SER 52 HN SER 52 13.346 -8.138 -0.032 407 HA SER 52 HA SER 52 15.097 -9.218 2.116 408 1HB SER 52 HB2 SER 52 14.165 -6.338 2.080 409 2HB SER 52 HB1 SER 52 15.286 -7.089 3.213 410 HG SER 52 HG SER 52 16.716 -7.399 1.461 411 H ALA 53 HN ALA 53 13.883 -8.307 4.323 412 HA ALA 53 HA ALA 53 10.968 -8.337 4.071 413 1HB ALA 53 HB1 ALA 53 12.502 -10.785 4.710 414 2HB ALA 53 HB2 ALA 53 10.862 -10.616 4.084 415 3HB ALA 53 HB3 ALA 53 11.170 -10.431 5.810 416 H ASP 54 HN ASP 54 13.285 -6.809 5.322 417 HA ASP 54 HA ASP 54 12.724 -7.076 8.193 418 1HB ASP 54 HB2 ASP 54 15.029 -6.544 7.078 419 2HB ASP 54 HB1 ASP 54 14.407 -4.896 6.988 420 H LEU 55 HN LEU 55 12.805 -4.242 6.002 421 HA LEU 55 HA LEU 55 11.110 -2.666 7.693 422 1HB LEU 55 HB2 LEU 55 11.022 -1.095 5.861 423 2HB LEU 55 HB1 LEU 55 12.649 -1.774 5.901 424 HG LEU 55 HG LEU 55 11.052 -3.492 4.285 425 1HD1 LEU 55 HD11 LEU 55 10.673 -0.539 3.790 426 2HD1 LEU 55 HD12 LEU 55 9.453 -1.813 3.818 427 3HD1 LEU 55 HD13 LEU 55 10.585 -1.705 2.470 428 1HD2 LEU 55 HD21 LEU 55 12.691 -2.000 2.601 429 2HD2 LEU 55 HD22 LEU 55 13.159 -3.472 3.453 430 3HD2 LEU 55 HD23 LEU 55 13.502 -1.894 4.163 431 H ALA 56 HN ALA 56 10.434 -5.063 5.250 432 HA ALA 56 HA ALA 56 7.735 -4.293 4.656 433 1HB ALA 56 HB1 ALA 56 7.672 -6.992 4.352 434 2HB ALA 56 HB2 ALA 56 9.413 -6.713 4.303 435 3HB ALA 56 HB3 ALA 56 8.356 -5.898 3.150 436 H LYS 57 HN LYS 57 8.927 -6.877 6.840 437 HA LYS 57 HA LYS 57 6.536 -7.629 8.024 438 1HB LYS 57 HB2 LYS 57 9.324 -7.782 8.710 439 2HB LYS 57 HB1 LYS 57 8.397 -7.385 10.157 440 1HG LYS 57 HG2 LYS 57 7.799 -9.681 8.268 441 2HG LYS 57 HG1 LYS 57 8.565 -9.833 9.849 442 1HD LYS 57 HD2 LYS 57 6.559 -9.836 10.862 443 2HD LYS 57 HD1 LYS 57 6.148 -8.293 10.111 444 1HE LYS 57 HE2 LYS 57 4.505 -9.937 9.415 445 2HE LYS 57 HE1 LYS 57 5.522 -9.547 8.028 446 1HZ LYS 57 HZ1 LYS 57 5.684 -11.935 9.775 447 2HZ LYS 57 HZ2 LYS 57 6.897 -11.515 8.661 448 3HZ LYS 57 HZ3 LYS 57 5.332 -11.886 8.116 449 H SER 58 HN SER 58 8.346 -4.652 8.552 450 HA SER 58 HA SER 58 6.373 -3.838 10.629 451 1HB SER 58 HB2 SER 58 8.356 -1.829 10.185 452 2HB SER 58 HB1 SER 58 8.132 -2.845 11.606 453 HG SER 58 HG SER 58 9.641 -3.397 9.268 454 H LEU 59 HN LEU 59 6.253 -3.841 7.456 455 HA LEU 59 HA LEU 59 5.402 -0.984 7.192 456 1HB LEU 59 HB2 LEU 59 7.073 -2.325 5.548 457 2HB LEU 59 HB1 LEU 59 5.544 -2.778 4.811 458 HG LEU 59 HG LEU 59 5.938 -0.829 3.647 459 1HD1 LEU 59 HD11 LEU 59 3.875 -0.504 5.111 460 2HD1 LEU 59 HD12 LEU 59 4.616 0.972 4.491 461 3HD1 LEU 59 HD13 LEU 59 4.892 0.482 6.161 462 1HD2 LEU 59 HD21 LEU 59 7.097 1.158 4.783 463 2HD2 LEU 59 HD22 LEU 59 8.080 -0.281 4.510 464 3HD2 LEU 59 HD23 LEU 59 7.433 0.054 6.116 465 H SER 60 HN SER 60 4.437 -4.344 6.537 466 HA SER 60 HA SER 60 1.747 -3.603 5.688 467 1HB SER 60 HB2 SER 60 2.362 -6.357 6.651 468 2HB SER 60 HB1 SER 60 1.458 -5.844 5.231 469 HG SER 60 HG SER 60 4.166 -6.275 5.582 470 H HIS 61 HN HIS 61 -0.126 -4.790 6.860 471 HA HIS 61 HA HIS 61 0.190 -4.441 9.816 472 1HB HIS 61 HB2 HIS 61 -1.982 -3.425 9.931 473 2HB HIS 61 HB1 HIS 61 -1.122 -2.601 8.629 474 HD1 HIS 61 HD1 HIS 61 -3.860 -5.122 9.243 475 HD2 HIS 61 HD2 HIS 61 -2.173 -3.048 6.038 476 HE1 HIS 61 HE1 HIS 61 -5.382 -5.506 7.251 477 H LYS 62 HN LYS 62 -1.796 -5.576 10.945 478 HA LYS 62 HA LYS 62 -2.337 -8.154 9.524 479 1HB LYS 62 HB2 LYS 62 -1.497 -7.644 12.376 480 2HB LYS 62 HB1 LYS 62 -2.354 -9.120 11.929 481 1HG LYS 62 HG2 LYS 62 -0.503 -10.009 10.996 482 2HG LYS 62 HG1 LYS 62 -0.188 -8.540 10.072 483 1HD LYS 62 HD2 LYS 62 0.781 -7.502 12.127 484 2HD LYS 62 HD1 LYS 62 0.564 -9.040 12.966 485 1HE LYS 62 HE2 LYS 62 2.145 -8.767 10.398 486 2HE LYS 62 HE1 LYS 62 2.881 -8.671 11.998 487 1HZ LYS 62 HZ1 LYS 62 1.375 -10.900 12.172 488 2HZ LYS 62 HZ2 LYS 62 3.037 -10.876 11.820 489 3HZ LYS 62 HZ3 LYS 62 1.901 -10.965 10.560 490 H GLN 63 HN GLN 63 -3.627 -5.437 11.134 491 HA GLN 63 HA GLN 63 -6.133 -6.823 11.878 492 1HB GLN 63 HB2 GLN 63 -5.110 -5.054 13.355 493 2HB GLN 63 HB1 GLN 63 -5.463 -3.875 12.091 494 1HG GLN 63 HG2 GLN 63 -7.745 -3.982 12.432 495 2HG GLN 63 HG1 GLN 63 -7.687 -5.652 12.997 496 1HE2 GLN 63 1HE2 GLN 63 -6.912 -2.296 14.000 497 2HE2 GLN 63 2HE2 GLN 63 -7.016 -2.605 15.666 498 H LEU 64 HN LEU 64 -7.373 -7.248 10.092 499 HA LEU 64 HA LEU 64 -7.406 -5.926 7.631 500 1HB LEU 64 HB2 LEU 64 -9.705 -7.230 9.118 501 2HB LEU 64 HB1 LEU 64 -9.771 -6.757 7.421 502 HG LEU 64 HG LEU 64 -7.442 -8.167 7.452 503 1HD1 LEU 64 HD11 LEU 64 -7.337 -9.715 9.101 504 2HD1 LEU 64 HD12 LEU 64 -9.055 -10.088 8.968 505 3HD1 LEU 64 HD13 LEU 64 -8.524 -8.718 9.944 506 1HD2 LEU 64 HD21 LEU 64 -9.492 -8.378 5.959 507 2HD2 LEU 64 HD22 LEU 64 -10.166 -9.467 7.172 508 3HD2 LEU 64 HD23 LEU 64 -8.678 -9.899 6.328 509 H LEU 65 HN LEU 65 -9.158 -4.431 6.772 510 HA LEU 65 HA LEU 65 -9.405 -2.137 8.582 511 1HB LEU 65 HB2 LEU 65 -10.073 -2.661 5.699 512 2HB LEU 65 HB1 LEU 65 -10.731 -1.242 6.507 513 HG LEU 65 HG LEU 65 -8.571 -0.369 6.964 514 1HD1 LEU 65 HD11 LEU 65 -7.486 -2.417 7.732 515 2HD1 LEU 65 HD12 LEU 65 -6.498 -1.675 6.473 516 3HD1 LEU 65 HD13 LEU 65 -7.505 -3.072 6.095 517 1HD2 LEU 65 HD21 LEU 65 -9.339 -1.093 4.313 518 2HD2 LEU 65 HD22 LEU 65 -7.587 -1.257 4.425 519 3HD2 LEU 65 HD23 LEU 65 -8.356 0.280 4.820 520 H MET 66 HN MET 66 -11.266 -1.481 9.616 521 HA MET 66 HA MET 66 -13.753 -3.039 9.054 522 1HB MET 66 HB2 MET 66 -12.206 -3.031 11.457 523 2HB MET 66 HB1 MET 66 -13.728 -2.204 11.787 524 1HG MET 66 HG2 MET 66 -14.954 -4.103 11.545 525 2HG MET 66 HG1 MET 66 -14.009 -4.643 10.157 526 1HE MET 66 HE1 MET 66 -13.540 -3.832 13.970 527 2HE MET 66 HE2 MET 66 -13.384 -5.473 14.593 528 3HE MET 66 HE3 MET 66 -14.855 -4.996 13.750 529 H SER 67 HN SER 67 -12.317 -0.041 9.073 530 HA SER 67 HA SER 67 -14.924 1.315 9.629 531 1HB SER 67 HB2 SER 67 -13.256 2.110 11.183 532 2HB SER 67 HB1 SER 67 -12.081 2.331 9.890 533 HG SER 67 HG SER 67 -13.734 4.108 10.791 534 HA PRO 68 HA PRO 68 -14.858 2.427 5.373 535 1HB PRO 68 HB2 PRO 68 -16.813 4.344 5.480 536 2HB PRO 68 HB1 PRO 68 -17.140 2.604 5.553 537 1HG PRO 68 HG2 PRO 68 -17.239 4.621 7.740 538 2HG PRO 68 HG1 PRO 68 -18.085 3.071 7.605 539 1HD PRO 68 HD2 PRO 68 -15.761 3.593 9.163 540 2HD PRO 68 HD1 PRO 68 -16.467 1.999 8.820 541 H GLY 69 HN GLY 69 -12.640 3.494 5.507 542 1HA GLY 69 HA2 GLY 69 -11.987 5.675 4.360 543 2HA GLY 69 HA1 GLY 69 -12.929 6.478 5.611 544 H GLN 70 HN GLN 70 -10.550 3.809 5.893 545 HA GLN 70 HA GLN 70 -8.342 5.278 6.764 546 1HB GLN 70 HB2 GLN 70 -8.571 5.050 9.277 547 2HB GLN 70 HB1 GLN 70 -9.615 6.265 8.545 548 1HG GLN 70 HG2 GLN 70 -11.480 4.638 8.519 549 2HG GLN 70 HG1 GLN 70 -10.433 3.439 9.280 550 1HE2 GLN 70 1HE2 GLN 70 -9.080 5.451 11.020 551 2HE2 GLN 70 2HE2 GLN 70 -10.213 5.872 12.212 552 H SER 71 HN SER 71 -6.824 3.730 6.475 553 HA SER 71 HA SER 71 -7.440 0.984 7.479 554 1HB SER 71 HB2 SER 71 -6.404 0.059 5.633 555 2HB SER 71 HB1 SER 71 -6.987 1.554 4.908 556 HG SER 71 HG SER 71 -4.846 2.396 5.709 557 H THR 72 HN THR 72 -4.547 0.307 6.928 558 HA THR 72 HA THR 72 -3.517 1.363 9.500 559 HB THR 72 HB THR 72 -2.451 -0.822 7.687 560 HG1 THR 72 HG1 THR 72 -4.509 -1.104 8.864 561 1HG2 THR 72 1HG2 THR 72 -1.588 -0.947 10.428 562 2HG2 THR 72 2HG2 THR 72 -1.195 0.638 9.764 563 3HG2 THR 72 3HG2 THR 72 -0.607 -0.822 8.969 564 H SER 73 HN SER 73 -2.654 3.396 9.090 565 HA SER 73 HA SER 73 -1.047 3.902 6.693 566 1HB SER 73 HB2 SER 73 -0.645 6.124 7.795 567 2HB SER 73 HB1 SER 73 -2.354 5.736 7.613 568 HG SER 73 HG SER 73 -0.955 5.004 9.944 569 H THR 74 HN THR 74 0.967 3.011 6.607 570 HA THR 74 HA THR 74 2.489 2.672 9.137 571 HB THR 74 HB THR 74 3.436 1.715 6.445 572 HG1 THR 74 HG1 THR 74 1.654 0.624 6.316 573 1HG2 THR 74 1HG2 THR 74 3.857 1.073 9.332 574 2HG2 THR 74 2HG2 THR 74 5.031 1.169 8.020 575 3HG2 THR 74 3HG2 THR 74 3.989 -0.246 8.169 576 H THR 75 HN THR 75 4.173 4.015 9.614 577 HA THR 75 HA THR 75 4.872 6.120 7.686 578 HB THR 75 HB THR 75 5.559 7.303 9.491 579 HG1 THR 75 HG1 THR 75 7.531 6.179 9.495 580 1HG2 THR 75 1HG2 THR 75 3.614 5.767 10.372 581 2HG2 THR 75 2HG2 THR 75 4.529 6.770 11.499 582 3HG2 THR 75 3HG2 THR 75 4.895 5.051 11.349 583 H PHE 76 HN PHE 76 6.009 5.142 6.015 584 HA PHE 76 HA PHE 76 7.814 3.041 6.116 585 1HB PHE 76 HB2 PHE 76 7.697 5.513 4.410 586 2HB PHE 76 HB1 PHE 76 9.044 4.387 4.231 587 HD1 PHE 76 HD1 PHE 76 5.307 4.559 4.285 588 HD2 PHE 76 HD2 PHE 76 8.790 2.392 3.006 589 HE1 PHE 76 HE1 PHE 76 3.877 3.041 2.944 590 HE2 PHE 76 HE2 PHE 76 7.357 0.876 1.666 591 HZ PHE 76 HZ PHE 76 4.904 1.209 1.637 592 HA PRO 77 HA PRO 77 11.182 4.433 8.523 593 1HB PRO 77 HB2 PRO 77 13.163 2.839 7.465 594 2HB PRO 77 HB1 PRO 77 11.902 2.248 8.555 595 1HG PRO 77 HG2 PRO 77 12.164 1.862 5.611 596 2HG PRO 77 HG1 PRO 77 11.359 0.836 6.810 597 1HD PRO 77 HD2 PRO 77 10.070 2.620 5.036 598 2HD PRO 77 HD1 PRO 77 9.336 1.857 6.464 599 H ALA 78 HN ALA 78 13.391 5.418 8.354 600 HA ALA 78 HA ALA 78 13.540 7.271 6.100 601 1HB ALA 78 HB1 ALA 78 15.605 8.080 7.298 602 2HB ALA 78 HB2 ALA 78 15.340 6.814 8.496 603 3HB ALA 78 HB3 ALA 78 14.150 8.099 8.294 604 H ASP 79 HN ASP 79 14.266 4.127 6.180 605 HA ASP 79 HA ASP 79 16.898 4.375 4.827 606 1HB ASP 79 HB2 ASP 79 15.478 1.773 5.360 607 2HB ASP 79 HB1 ASP 79 17.210 2.083 5.234 608 H ALA 80 HN ALA 80 13.575 4.160 4.153 609 HA ALA 80 HA ALA 80 13.071 2.626 1.977 610 1HB ALA 80 HB1 ALA 80 11.338 4.100 2.304 611 2HB ALA 80 HB2 ALA 80 12.102 4.907 0.934 612 3HB ALA 80 HB3 ALA 80 12.415 5.470 2.576 613 HA PRO 81 HA PRO 81 16.705 3.870 -0.456 614 1HB PRO 81 HB2 PRO 81 17.089 1.369 -1.527 615 2HB PRO 81 HB1 PRO 81 17.737 1.872 0.044 616 1HG PRO 81 HG2 PRO 81 15.443 0.063 -0.544 617 2HG PRO 81 HG1 PRO 81 16.489 0.120 0.884 618 1HD PRO 81 HD2 PRO 81 13.864 1.179 0.695 619 2HD PRO 81 HD1 PRO 81 15.027 1.483 2.002 620 H ALA 82 HN ALA 82 17.025 3.819 -2.851 621 HA ALA 82 HA ALA 82 14.600 4.366 -4.277 622 1HB ALA 82 HB1 ALA 82 16.730 3.662 -6.080 623 2HB ALA 82 HB2 ALA 82 17.389 4.614 -4.750 624 3HB ALA 82 HB3 ALA 82 16.071 5.259 -5.729 625 H GLY 83 HN GLY 83 13.137 2.804 -4.787 626 1HA GLY 83 HA2 GLY 83 13.834 0.573 -6.448 627 2HA GLY 83 HA1 GLY 83 13.594 0.029 -4.788 628 H GLU 84 HN GLU 84 11.925 -0.660 -7.054 629 HA GLU 84 HA GLU 84 9.446 0.899 -6.679 630 1HB GLU 84 HB2 GLU 84 8.546 -0.577 -8.453 631 2HB GLU 84 HB1 GLU 84 10.059 0.178 -8.952 632 1HG GLU 84 HG2 GLU 84 10.753 -1.921 -9.442 633 2HG GLU 84 HG1 GLU 84 10.923 -2.129 -7.699 634 H TYR 85 HN TYR 85 8.458 0.387 -4.752 635 HA TYR 85 HA TYR 85 8.473 -2.359 -3.723 636 1HB TYR 85 HB2 TYR 85 6.830 -0.006 -2.747 637 2HB TYR 85 HB1 TYR 85 7.263 -1.458 -1.842 638 HD1 TYR 85 HD1 TYR 85 10.157 -1.518 -3.113 639 HD2 TYR 85 HD2 TYR 85 7.856 1.475 -1.063 640 HE1 TYR 85 HE1 TYR 85 12.251 -0.423 -2.362 641 HE2 TYR 85 HE2 TYR 85 9.951 2.571 -0.313 642 HH TYR 85 HH TYR 85 13.072 1.601 -1.541 643 H THR 86 HN THR 86 6.270 -3.386 -3.155 644 HA THR 86 HA THR 86 4.082 -2.573 -4.955 645 HB THR 86 HB THR 86 5.394 -5.295 -5.173 646 HG1 THR 86 HG1 THR 86 6.483 -3.584 -6.243 647 1HG2 THR 86 1HG2 THR 86 3.509 -4.725 -7.242 648 2HG2 THR 86 2HG2 THR 86 2.723 -4.435 -5.690 649 3HG2 THR 86 3HG2 THR 86 3.446 -6.007 -6.032 650 H PHE 87 HN PHE 87 2.352 -2.608 -3.635 651 HA PHE 87 HA PHE 87 2.120 -4.837 -1.693 652 1HB PHE 87 HB2 PHE 87 0.476 -3.117 -0.562 653 2HB PHE 87 HB1 PHE 87 2.216 -2.979 -0.296 654 HD1 PHE 87 HD1 PHE 87 -0.712 -1.541 -1.947 655 HD2 PHE 87 HD2 PHE 87 3.548 -1.307 -1.502 656 HE1 PHE 87 HE1 PHE 87 -0.729 0.694 -3.000 657 HE2 PHE 87 HE2 PHE 87 3.541 0.930 -2.551 658 HZ PHE 87 HZ PHE 87 1.399 1.944 -3.304 659 H TYR 88 HN TYR 88 -0.311 -5.323 -1.206 660 HA TYR 88 HA TYR 88 -2.162 -4.572 -3.325 661 1HB TYR 88 HB2 TYR 88 -2.487 -6.805 -4.236 662 2HB TYR 88 HB1 TYR 88 -0.788 -6.359 -4.399 663 HD1 TYR 88 HD1 TYR 88 0.856 -7.151 -2.620 664 HD2 TYR 88 HD2 TYR 88 -3.130 -8.706 -2.979 665 HE1 TYR 88 HE1 TYR 88 1.507 -9.125 -1.272 666 HE2 TYR 88 HE2 TYR 88 -2.482 -10.682 -1.631 667 HH TYR 88 HH TYR 88 0.334 -10.815 0.195 668 H CYS 89 HN CYS 89 -3.956 -6.698 -3.061 669 HA CYS 89 HA CYS 89 -4.702 -6.486 -0.171 670 1HB CYS 89 HB2 CYS 89 -6.233 -6.108 -2.685 671 2HB CYS 89 HB1 CYS 89 -7.060 -6.992 -1.405 672 H GLU 90 HN GLU 90 -5.184 -8.402 0.861 673 HA GLU 90 HA GLU 90 -4.571 -10.897 -0.485 674 1HB GLU 90 HB2 GLU 90 -4.298 -10.295 2.040 675 2HB GLU 90 HB1 GLU 90 -5.999 -10.743 2.160 676 1HG GLU 90 HG2 GLU 90 -4.430 -12.670 0.613 677 2HG GLU 90 HG1 GLU 90 -3.868 -12.508 2.277 678 HA PRO 91 HA PRO 91 -9.305 -11.503 -0.177 679 1HB PRO 91 HB2 PRO 91 -10.833 -9.284 0.371 680 2HB PRO 91 HB1 PRO 91 -10.223 -10.388 1.616 681 1HG PRO 91 HG2 PRO 91 -9.294 -7.646 0.925 682 2HG PRO 91 HG1 PRO 91 -9.161 -8.523 2.457 683 1HD PRO 91 HD2 PRO 91 -7.096 -8.158 0.552 684 2HD PRO 91 HD1 PRO 91 -7.059 -9.264 1.940 685 H HIS 92 HN HIS 92 -9.040 -8.032 -1.129 686 HA HIS 92 HA HIS 92 -10.528 -8.493 -3.579 687 1HB HIS 92 HB2 HIS 92 -8.708 -6.129 -3.134 688 2HB HIS 92 HB1 HIS 92 -10.212 -6.205 -4.046 689 HD2 HIS 92 HD2 HIS 92 -12.563 -6.647 -2.209 690 HE1 HIS 92 HE1 HIS 92 -10.610 -4.736 0.988 691 HE2 HIS 92 HE2 HIS 92 -12.826 -5.603 0.150 692 H ARG 93 HN ARG 93 -8.717 -10.409 -3.804 693 HA ARG 93 HA ARG 93 -6.365 -9.388 -5.288 694 1HB ARG 93 HB2 ARG 93 -6.353 -11.341 -3.561 695 2HB ARG 93 HB1 ARG 93 -7.028 -12.299 -4.879 696 1HG ARG 93 HG2 ARG 93 -5.072 -12.304 -6.048 697 2HG ARG 93 HG1 ARG 93 -4.696 -10.637 -5.613 698 1HD ARG 93 HD2 ARG 93 -3.464 -11.261 -3.814 699 2HD ARG 93 HD1 ARG 93 -4.628 -12.497 -3.335 700 HE ARG 93 HE ARG 93 -3.226 -14.056 -4.390 701 1HH1 ARG 93 HH21 ARG 93 -3.703 -13.122 -7.154 702 2HH1 ARG 93 HH22 ARG 93 -2.122 -12.645 -7.678 703 1HH2 ARG 93 HH11 ARG 93 -0.815 -12.494 -4.469 704 2HH2 ARG 93 HH12 ARG 93 -0.487 -12.288 -6.157 705 H GLY 94 HN GLY 94 -9.326 -9.453 -6.212 706 1HA GLY 94 HA2 GLY 94 -8.899 -11.031 -8.712 707 2HA GLY 94 HA1 GLY 94 -10.483 -10.597 -8.067 708 H ALA 95 HN ALA 95 -9.731 -7.836 -7.438 709 HA ALA 95 HA ALA 95 -9.974 -6.756 -10.181 710 1HB ALA 95 HB1 ALA 95 -10.170 -4.561 -8.652 711 2HB ALA 95 HB2 ALA 95 -10.583 -5.767 -7.434 712 3HB ALA 95 HB3 ALA 95 -11.540 -5.641 -8.911 713 H GLY 96 HN GLY 96 -7.412 -7.812 -9.319 714 1HA GLY 96 HA2 GLY 96 -5.145 -7.178 -9.113 715 2HA GLY 96 HA1 GLY 96 -5.595 -6.047 -10.388 716 H MET 97 HN MET 97 -6.050 -6.311 -6.835 717 HA MET 97 HA MET 97 -5.804 -3.367 -6.644 718 1HB MET 97 HB2 MET 97 -6.392 -5.488 -4.555 719 2HB MET 97 HB1 MET 97 -6.349 -3.754 -4.234 720 1HG MET 97 HG2 MET 97 -8.025 -3.776 -6.354 721 2HG MET 97 HG1 MET 97 -8.387 -5.364 -5.678 722 1HE MET 97 HE1 MET 97 -11.000 -3.253 -5.444 723 2HE MET 97 HE2 MET 97 -11.295 -4.275 -4.038 724 3HE MET 97 HE3 MET 97 -10.503 -4.951 -5.459 725 H VAL 98 HN VAL 98 -3.431 -3.919 -7.474 726 HA VAL 98 HA VAL 98 -1.727 -4.168 -5.031 727 HB VAL 98 HB VAL 98 -1.461 -6.210 -6.315 728 1HG1 VAL 98 1HG1 VAL 98 -0.302 -5.110 -8.723 729 2HG1 VAL 98 2HG1 VAL 98 -1.944 -4.505 -8.507 730 3HG1 VAL 98 3HG1 VAL 98 -1.644 -6.242 -8.556 731 1HG2 VAL 98 1HG2 VAL 98 0.705 -6.000 -5.712 732 2HG2 VAL 98 2HG2 VAL 98 0.664 -4.255 -5.965 733 3HG2 VAL 98 3HG2 VAL 98 1.010 -5.334 -7.317 734 H GLY 99 HN GLY 99 -1.385 -1.952 -4.782 735 1HA GLY 99 HA2 GLY 99 -0.697 -0.247 -7.031 736 2HA GLY 99 HA1 GLY 99 -0.642 0.215 -5.332 737 H LYS 100 HN LYS 100 1.452 1.250 -6.036 738 HA LYS 100 HA LYS 100 3.676 -0.503 -5.343 739 1HB LYS 100 HB2 LYS 100 3.202 0.353 -8.178 740 2HB LYS 100 HB1 LYS 100 4.861 0.272 -7.583 741 1HG LYS 100 HG2 LYS 100 4.252 -2.077 -6.725 742 2HG LYS 100 HG1 LYS 100 2.833 -1.954 -7.762 743 1HD LYS 100 HD2 LYS 100 5.574 -1.379 -8.860 744 2HD LYS 100 HD1 LYS 100 4.988 -3.039 -8.738 745 1HE LYS 100 HE2 LYS 100 3.211 -2.654 -10.232 746 2HE LYS 100 HE1 LYS 100 3.293 -0.905 -10.022 747 1HZ LYS 100 HZ1 LYS 100 4.441 -0.995 -11.928 748 2HZ LYS 100 HZ2 LYS 100 4.839 -2.637 -11.749 749 3HZ LYS 100 HZ3 LYS 100 5.743 -1.446 -10.940 750 H ILE 101 HN ILE 101 4.899 0.793 -4.056 751 HA ILE 101 HA ILE 101 4.671 3.711 -4.286 752 HB ILE 101 HB ILE 101 5.607 1.794 -2.268 753 1HG1 ILE 101 2HG1 ILE 101 4.566 4.632 -2.313 754 2HG1 ILE 101 1HG1 ILE 101 3.717 3.173 -1.803 755 1HG2 ILE 101 1HG2 ILE 101 7.817 2.749 -2.864 756 2HG2 ILE 101 2HG2 ILE 101 7.307 3.253 -1.252 757 3HG2 ILE 101 3HG2 ILE 101 7.170 4.370 -2.610 758 1HD1 ILE 101 HD11 ILE 101 6.106 3.395 -0.233 759 2HD1 ILE 101 HD12 ILE 101 4.434 3.496 0.309 760 3HD1 ILE 101 HD13 ILE 101 5.282 4.954 -0.200 761 H THR 102 HN THR 102 6.240 5.070 -5.108 762 HA THR 102 HA THR 102 8.672 3.750 -6.244 763 HB THR 102 HB THR 102 7.408 6.282 -7.316 764 HG1 THR 102 HG1 THR 102 7.005 3.593 -8.125 765 1HG2 THR 102 1HG2 THR 102 9.470 6.207 -8.304 766 2HG2 THR 102 2HG2 THR 102 8.662 5.066 -9.380 767 3HG2 THR 102 3HG2 THR 102 9.644 4.472 -8.041 768 H VAL 103 HN VAL 103 10.008 4.208 -4.457 769 HA VAL 103 HA VAL 103 10.194 7.043 -3.587 770 HB VAL 103 HB VAL 103 11.793 4.821 -2.357 771 1HG1 VAL 103 1HG1 VAL 103 11.242 6.162 -0.307 772 2HG1 VAL 103 2HG1 VAL 103 10.399 7.314 -1.342 773 3HG1 VAL 103 3HG1 VAL 103 12.137 7.074 -1.524 774 1HG2 VAL 103 1HG2 VAL 103 9.788 3.666 -2.239 775 2HG2 VAL 103 2HG2 VAL 103 8.820 5.136 -2.337 776 3HG2 VAL 103 3HG2 VAL 103 9.607 4.700 -0.821 777 H ALA 104 HN ALA 104 11.708 8.271 -4.571 778 HA ALA 104 HA ALA 104 13.962 6.950 -5.964 779 1HB ALA 104 HB1 ALA 104 13.891 8.719 -7.373 780 2HB ALA 104 HB2 ALA 104 13.885 9.874 -6.041 781 3HB ALA 104 HB3 ALA 104 12.374 9.142 -6.580 782 H GLY 105 HN GLY 105 16.142 7.385 -5.448 783 1HA GLY 105 HA2 GLY 105 17.898 8.489 -4.208 784 2HA GLY 105 HA1 GLY 105 16.681 9.106 -3.088 Start of MODEL 11 1 1H GLU 1 HT1 GLU 1 5.144 15.036 4.171 2 2H GLU 1 HT2 GLU 1 6.227 14.786 2.887 3 3H GLU 1 HT3 GLU 1 5.565 13.458 3.715 4 HA GLU 1 HA GLU 1 3.722 15.340 2.439 5 1HB GLU 1 HB2 GLU 1 5.347 13.229 0.986 6 2HB GLU 1 HB1 GLU 1 3.936 14.046 0.314 7 1HG GLU 1 HG2 GLU 1 5.387 16.192 1.131 8 2HG GLU 1 HG1 GLU 1 6.686 15.067 0.732 9 H THR 2 HN THR 2 1.695 14.343 2.258 10 HA THR 2 HA THR 2 1.528 11.571 3.374 11 HB THR 2 HB THR 2 -0.540 13.776 3.629 12 HG1 THR 2 HG1 THR 2 0.996 12.739 5.735 13 1HG2 THR 2 1HG2 THR 2 -0.865 11.817 5.603 14 2HG2 THR 2 2HG2 THR 2 -0.531 10.915 4.126 15 3HG2 THR 2 3HG2 THR 2 -1.878 12.051 4.179 16 H TYR 3 HN TYR 3 0.416 10.102 2.134 17 HA TYR 3 HA TYR 3 -1.110 11.179 -0.205 18 1HB TYR 3 HB2 TYR 3 0.839 8.883 -0.023 19 2HB TYR 3 HB1 TYR 3 -0.397 8.922 -1.282 20 HD1 TYR 3 HD1 TYR 3 2.442 10.846 0.183 21 HD2 TYR 3 HD2 TYR 3 -0.169 10.321 -3.187 22 HE1 TYR 3 HE1 TYR 3 3.834 12.416 -1.139 23 HE2 TYR 3 HE2 TYR 3 1.222 11.893 -4.509 24 HH TYR 3 HH TYR 3 2.980 13.239 -4.505 25 H THR 4 HN THR 4 -3.180 10.932 0.653 26 HA THR 4 HA THR 4 -3.914 8.414 1.997 27 HB THR 4 HB THR 4 -5.449 10.943 1.350 28 HG1 THR 4 HG1 THR 4 -4.496 11.430 3.149 29 1HG2 THR 4 1HG2 THR 4 -6.918 9.462 3.194 30 2HG2 THR 4 2HG2 THR 4 -6.408 8.267 2.000 31 3HG2 THR 4 3HG2 THR 4 -7.318 9.689 1.491 32 H VAL 5 HN VAL 5 -3.598 6.984 0.133 33 HA VAL 5 HA VAL 5 -5.267 7.403 -2.238 34 HB VAL 5 HB VAL 5 -4.316 5.274 -2.991 35 1HG1 VAL 5 1HG1 VAL 5 -2.704 6.771 -3.572 36 2HG1 VAL 5 2HG1 VAL 5 -1.780 6.007 -2.279 37 3HG1 VAL 5 3HG1 VAL 5 -2.668 7.498 -1.966 38 1HG2 VAL 5 1HG2 VAL 5 -3.795 5.006 -0.105 39 2HG2 VAL 5 2HG2 VAL 5 -2.433 4.542 -1.124 40 3HG2 VAL 5 3HG2 VAL 5 -3.997 3.754 -1.330 41 H LYS 6 HN LYS 6 -7.438 7.116 -1.903 42 HA LYS 6 HA LYS 6 -8.363 4.983 -0.070 43 1HB LYS 6 HB2 LYS 6 -9.357 7.522 -0.832 44 2HB LYS 6 HB1 LYS 6 -10.494 6.336 -1.475 45 1HG LYS 6 HG2 LYS 6 -10.090 5.284 0.985 46 2HG LYS 6 HG1 LYS 6 -9.841 6.993 1.347 47 1HD LYS 6 HD2 LYS 6 -12.013 7.531 0.296 48 2HD LYS 6 HD1 LYS 6 -12.267 5.819 -0.044 49 1HE LYS 6 HE2 LYS 6 -13.320 5.793 1.969 50 2HE LYS 6 HE1 LYS 6 -11.688 5.761 2.635 51 1HZ LYS 6 HZ1 LYS 6 -13.359 8.165 2.148 52 2HZ LYS 6 HZ2 LYS 6 -11.735 8.211 2.646 53 3HZ LYS 6 HZ3 LYS 6 -12.917 7.524 3.655 54 H LEU 7 HN LEU 7 -8.139 3.007 -1.140 55 HA LEU 7 HA LEU 7 -8.498 2.585 -3.918 56 1HB LEU 7 HB2 LEU 7 -8.858 0.190 -3.213 57 2HB LEU 7 HB1 LEU 7 -7.389 0.917 -2.579 58 HG LEU 7 HG LEU 7 -9.331 1.545 -0.679 59 1HD1 LEU 7 HD11 LEU 7 -10.685 -0.251 -1.996 60 2HD1 LEU 7 HD12 LEU 7 -10.603 -0.388 -0.239 61 3HD1 LEU 7 HD13 LEU 7 -9.576 -1.403 -1.252 62 1HD2 LEU 7 HD21 LEU 7 -8.066 0.001 0.733 63 2HD2 LEU 7 HD22 LEU 7 -6.950 0.850 -0.337 64 3HD2 LEU 7 HD23 LEU 7 -7.419 -0.813 -0.691 65 H GLY 8 HN GLY 8 -10.359 1.084 -4.742 66 1HA GLY 8 HA2 GLY 8 -12.660 0.759 -5.110 67 2HA GLY 8 HA1 GLY 8 -12.932 1.262 -3.441 68 H SER 9 HN SER 9 -12.050 2.649 -6.617 69 HA SER 9 HA SER 9 -12.497 5.349 -6.105 70 1HB SER 9 HB2 SER 9 -13.100 5.570 -8.484 71 2HB SER 9 HB1 SER 9 -11.736 4.472 -8.289 72 HG SER 9 HG SER 9 -13.308 2.751 -8.330 73 H ASP 10 HN ASP 10 -15.032 3.939 -8.073 74 HA ASP 10 HA ASP 10 -17.148 3.896 -6.191 75 1HB ASP 10 HB2 ASP 10 -16.296 6.466 -6.419 76 2HB ASP 10 HB1 ASP 10 -17.493 6.417 -7.714 77 H LYS 11 HN LYS 11 -16.143 4.666 -9.492 78 HA LYS 11 HA LYS 11 -18.650 3.349 -10.460 79 1HB LYS 11 HB2 LYS 11 -16.936 5.160 -12.156 80 2HB LYS 11 HB1 LYS 11 -18.636 4.738 -12.365 81 1HG LYS 11 HG2 LYS 11 -19.338 6.170 -10.646 82 2HG LYS 11 HG1 LYS 11 -17.742 6.215 -9.898 83 1HD LYS 11 HD2 LYS 11 -17.621 7.185 -12.628 84 2HD LYS 11 HD1 LYS 11 -18.804 8.098 -11.691 85 1HE LYS 11 HE2 LYS 11 -16.967 9.280 -11.021 86 2HE LYS 11 HE1 LYS 11 -16.776 7.942 -9.888 87 1HZ LYS 11 HZ1 LYS 11 -15.636 7.759 -12.596 88 2HZ LYS 11 HZ2 LYS 11 -15.155 6.964 -11.173 89 3HZ LYS 11 HZ3 LYS 11 -14.808 8.613 -11.387 90 H GLY 12 HN GLY 12 -16.321 1.876 -9.658 91 1HA GLY 12 HA2 GLY 12 -15.789 0.489 -12.200 92 2HA GLY 12 HA1 GLY 12 -14.369 1.165 -11.400 93 H LEU 13 HN LEU 13 -13.436 -0.026 -9.784 94 HA LEU 13 HA LEU 13 -15.032 -2.062 -8.355 95 1HB LEU 13 HB2 LEU 13 -13.534 -2.769 -10.609 96 2HB LEU 13 HB1 LEU 13 -12.512 -3.223 -9.249 97 HG LEU 13 HG LEU 13 -14.020 -5.074 -9.861 98 1HD1 LEU 13 HD11 LEU 13 -13.507 -5.121 -7.567 99 2HD1 LEU 13 HD12 LEU 13 -15.270 -5.172 -7.578 100 3HD1 LEU 13 HD13 LEU 13 -14.435 -3.657 -7.235 101 1HD2 LEU 13 HD21 LEU 13 -16.375 -3.453 -8.949 102 2HD2 LEU 13 HD22 LEU 13 -16.332 -4.852 -10.022 103 3HD2 LEU 13 HD23 LEU 13 -15.812 -3.273 -10.611 104 H LEU 14 HN LEU 14 -12.456 -3.341 -7.450 105 HA LEU 14 HA LEU 14 -11.734 -1.232 -5.482 106 1HB LEU 14 HB2 LEU 14 -11.249 -4.225 -5.514 107 2HB LEU 14 HB1 LEU 14 -10.691 -3.142 -4.239 108 HG LEU 14 HG LEU 14 -13.591 -3.147 -5.034 109 1HD1 LEU 14 HD11 LEU 14 -12.113 -5.358 -3.845 110 2HD1 LEU 14 HD12 LEU 14 -13.791 -5.301 -4.386 111 3HD1 LEU 14 HD13 LEU 14 -13.370 -4.761 -2.761 112 1HD2 LEU 14 HD21 LEU 14 -12.386 -1.479 -3.431 113 2HD2 LEU 14 HD22 LEU 14 -12.381 -2.825 -2.290 114 3HD2 LEU 14 HD23 LEU 14 -13.910 -2.194 -2.902 115 H VAL 15 HN VAL 15 -10.027 -0.019 -6.199 116 HA VAL 15 HA VAL 15 -7.544 -1.443 -6.944 117 HB VAL 15 HB VAL 15 -7.226 0.085 -8.919 118 1HG1 VAL 15 1HG1 VAL 15 -7.994 -2.235 -9.222 119 2HG1 VAL 15 2HG1 VAL 15 -8.762 -1.171 -10.399 120 3HG1 VAL 15 3HG1 VAL 15 -9.664 -1.719 -8.988 121 1HG2 VAL 15 1HG2 VAL 15 -10.017 0.851 -8.092 122 2HG2 VAL 15 2HG2 VAL 15 -9.545 0.948 -9.789 123 3HG2 VAL 15 3HG2 VAL 15 -8.679 1.892 -8.577 124 H PHE 16 HN PHE 16 -5.674 0.148 -7.015 125 HA PHE 16 HA PHE 16 -5.973 2.047 -4.786 126 1HB PHE 16 HB2 PHE 16 -3.659 0.943 -6.356 127 2HB PHE 16 HB1 PHE 16 -3.440 2.393 -5.378 128 HD1 PHE 16 HD1 PHE 16 -3.983 2.316 -2.910 129 HD2 PHE 16 HD2 PHE 16 -3.817 -1.213 -5.354 130 HE1 PHE 16 HE1 PHE 16 -3.789 0.914 -0.874 131 HE2 PHE 16 HE2 PHE 16 -3.623 -2.615 -3.319 132 HZ PHE 16 HZ PHE 16 -3.609 -1.551 -1.077 133 H GLU 17 HN GLU 17 -6.050 4.257 -5.013 134 HA GLU 17 HA GLU 17 -5.658 5.351 -7.767 135 1HB GLU 17 HB2 GLU 17 -7.739 6.142 -5.711 136 2HB GLU 17 HB1 GLU 17 -7.467 6.982 -7.239 137 1HG GLU 17 HG2 GLU 17 -7.805 4.660 -8.339 138 2HG GLU 17 HG1 GLU 17 -8.512 4.188 -6.793 139 HA PRO 18 HA PRO 18 -4.429 6.262 -8.725 140 1HB PRO 18 HB2 PRO 18 -1.747 6.717 -9.088 141 2HB PRO 18 HB1 PRO 18 -2.986 7.965 -9.290 142 1HG PRO 18 HG2 PRO 18 -1.022 7.598 -7.084 143 2HG PRO 18 HG1 PRO 18 -1.830 9.075 -7.635 144 1HD PRO 18 HD2 PRO 18 -2.523 7.543 -5.357 145 2HD PRO 18 HD1 PRO 18 -3.493 8.840 -6.086 146 H ALA 19 HN ALA 19 -2.835 4.595 -9.796 147 HA ALA 19 HA ALA 19 -2.589 2.333 -7.974 148 1HB ALA 19 HB1 ALA 19 -3.328 1.900 -10.244 149 2HB ALA 19 HB2 ALA 19 -1.745 1.153 -10.028 150 3HB ALA 19 HB3 ALA 19 -1.888 2.678 -10.902 151 H LYS 20 HN LYS 20 -0.383 4.498 -9.717 152 HA LYS 20 HA LYS 20 1.893 3.237 -8.247 153 1HB LYS 20 HB2 LYS 20 3.146 4.816 -10.029 154 2HB LYS 20 HB1 LYS 20 2.632 3.177 -10.427 155 1HG LYS 20 HG2 LYS 20 0.530 4.053 -11.365 156 2HG LYS 20 HG1 LYS 20 1.026 5.695 -10.956 157 1HD LYS 20 HD2 LYS 20 2.601 5.788 -12.637 158 2HD LYS 20 HD1 LYS 20 2.915 4.053 -12.582 159 1HE LYS 20 HE2 LYS 20 0.167 4.634 -13.365 160 2HE LYS 20 HE1 LYS 20 1.334 5.371 -14.463 161 1HZ LYS 20 HZ1 LYS 20 0.544 2.751 -14.449 162 2HZ LYS 20 HZ2 LYS 20 2.086 2.719 -13.737 163 3HZ LYS 20 HZ3 LYS 20 1.873 3.396 -15.281 164 H LEU 21 HN LEU 21 3.098 4.496 -6.846 165 HA LEU 21 HA LEU 21 2.484 7.414 -6.742 166 1HB LEU 21 HB2 LEU 21 2.209 5.367 -4.569 167 2HB LEU 21 HB1 LEU 21 2.722 6.998 -4.136 168 HG LEU 21 HG LEU 21 0.544 7.211 -5.978 169 1HD1 LEU 21 HD11 LEU 21 -0.184 4.999 -5.381 170 2HD1 LEU 21 HD12 LEU 21 -1.201 6.127 -4.485 171 3HD1 LEU 21 HD13 LEU 21 0.124 5.297 -3.670 172 1HD2 LEU 21 HD21 LEU 21 1.426 8.664 -3.971 173 2HD2 LEU 21 HD22 LEU 21 0.325 7.672 -3.014 174 3HD2 LEU 21 HD23 LEU 21 -0.299 8.655 -4.339 175 H THR 22 HN THR 22 4.451 8.318 -7.202 176 HA THR 22 HA THR 22 6.935 6.969 -6.396 177 HB THR 22 HB THR 22 6.486 9.649 -7.749 178 HG1 THR 22 HG1 THR 22 7.383 7.206 -8.853 179 1HG2 THR 22 1HG2 THR 22 9.015 8.626 -8.376 180 2HG2 THR 22 2HG2 THR 22 8.843 8.360 -6.641 181 3HG2 THR 22 3HG2 THR 22 8.669 9.984 -7.306 182 H ILE 23 HN ILE 23 7.140 7.095 -4.160 183 HA ILE 23 HA ILE 23 6.811 9.744 -2.886 184 HB ILE 23 HB ILE 23 7.096 8.404 -0.752 185 1HG1 ILE 23 2HG1 ILE 23 6.428 5.905 -2.163 186 2HG1 ILE 23 1HG1 ILE 23 8.071 6.474 -2.465 187 1HG2 ILE 23 1HG2 ILE 23 4.855 8.490 -0.818 188 2HG2 ILE 23 2HG2 ILE 23 4.841 6.999 -1.761 189 3HG2 ILE 23 3HG2 ILE 23 4.893 8.560 -2.580 190 1HD1 ILE 23 HD11 ILE 23 6.873 6.214 0.307 191 2HD1 ILE 23 HD12 ILE 23 8.558 6.539 -0.099 192 3HD1 ILE 23 HD13 ILE 23 7.855 4.961 -0.453 193 H LYS 24 HN LYS 24 8.523 9.871 -0.914 194 HA LYS 24 HA LYS 24 11.162 9.791 -2.255 195 1HB LYS 24 HB2 LYS 24 10.881 10.951 0.475 196 2HB LYS 24 HB1 LYS 24 11.774 11.560 -0.917 197 1HG LYS 24 HG2 LYS 24 8.769 11.674 -0.540 198 2HG LYS 24 HG1 LYS 24 9.885 13.036 -0.456 199 1HD LYS 24 HD2 LYS 24 10.334 11.631 -2.918 200 2HD LYS 24 HD1 LYS 24 8.611 11.978 -2.767 201 1HE LYS 24 HE2 LYS 24 9.516 13.913 -3.797 202 2HE LYS 24 HE1 LYS 24 9.329 14.361 -2.102 203 1HZ LYS 24 HZ1 LYS 24 11.821 13.475 -3.449 204 2HZ LYS 24 HZ2 LYS 24 11.676 13.708 -1.772 205 3HZ LYS 24 HZ3 LYS 24 11.488 15.020 -2.835 206 HA PRO 25 HA PRO 25 12.729 6.630 0.351 207 1HB PRO 25 HB2 PRO 25 15.064 7.638 1.395 208 2HB PRO 25 HB1 PRO 25 14.878 7.141 -0.296 209 1HG PRO 25 HG2 PRO 25 15.013 9.888 0.847 210 2HG PRO 25 HG1 PRO 25 15.428 9.330 -0.782 211 1HD PRO 25 HD2 PRO 25 13.051 10.670 -0.026 212 2HD PRO 25 HD1 PRO 25 13.343 9.857 -1.578 213 H GLY 26 HN GLY 26 10.733 7.373 1.822 214 1HA GLY 26 HA2 GLY 26 10.590 6.832 4.286 215 2HA GLY 26 HA1 GLY 26 11.857 8.037 4.520 216 H ASP 27 HN ASP 27 8.542 7.694 3.263 217 HA ASP 27 HA ASP 27 8.019 10.460 4.270 218 1HB ASP 27 HB2 ASP 27 6.759 9.160 1.833 219 2HB ASP 27 HB1 ASP 27 6.488 10.807 2.402 220 H THR 28 HN THR 28 5.133 9.896 3.356 221 HA THR 28 HA THR 28 4.388 7.746 5.215 222 HB THR 28 HB THR 28 3.505 10.621 5.569 223 HG1 THR 28 HG1 THR 28 4.269 9.628 7.807 224 1HG2 THR 28 1HG2 THR 28 1.642 9.896 6.602 225 2HG2 THR 28 2HG2 THR 28 2.564 8.743 7.567 226 3HG2 THR 28 3HG2 THR 28 1.991 8.291 5.961 227 H VAL 29 HN VAL 29 3.370 6.597 3.609 228 HA VAL 29 HA VAL 29 1.363 7.988 1.939 229 HB VAL 29 HB VAL 29 2.195 5.102 1.680 230 1HG1 VAL 29 1HG1 VAL 29 1.297 5.250 -0.461 231 2HG1 VAL 29 2HG1 VAL 29 1.576 6.988 -0.570 232 3HG1 VAL 29 3HG1 VAL 29 0.244 6.367 0.405 233 1HG2 VAL 29 1HG2 VAL 29 3.835 7.482 1.315 234 2HG2 VAL 29 2HG2 VAL 29 3.653 6.588 -0.194 235 3HG2 VAL 29 3HG2 VAL 29 4.303 5.784 1.235 236 H GLU 30 HN GLU 30 -0.719 7.908 2.660 237 HA GLU 30 HA GLU 30 -1.455 5.781 4.579 238 1HB GLU 30 HB2 GLU 30 -1.999 7.962 5.397 239 2HB GLU 30 HB1 GLU 30 -2.726 8.427 3.858 240 1HG GLU 30 HG2 GLU 30 -4.480 6.701 4.183 241 2HG GLU 30 HG1 GLU 30 -3.772 6.295 5.747 242 H PHE 31 HN PHE 31 -3.488 4.635 4.287 243 HA PHE 31 HA PHE 31 -4.718 4.760 1.603 244 1HB PHE 31 HB2 PHE 31 -4.225 1.980 2.336 245 2HB PHE 31 HB1 PHE 31 -3.903 2.803 0.813 246 HD1 PHE 31 HD1 PHE 31 -1.778 4.278 0.667 247 HD2 PHE 31 HD2 PHE 31 -2.458 1.419 3.801 248 HE1 PHE 31 HE1 PHE 31 0.636 4.261 1.187 249 HE2 PHE 31 HE2 PHE 31 -0.043 1.410 4.314 250 HZ PHE 31 HZ PHE 31 1.507 2.836 3.012 251 H LEU 32 HN LEU 32 -6.855 3.851 1.606 252 HA LEU 32 HA LEU 32 -7.829 2.753 4.178 253 1HB LEU 32 HB2 LEU 32 -9.259 5.003 2.741 254 2HB LEU 32 HB1 LEU 32 -9.667 4.307 4.308 255 HG LEU 32 HG LEU 32 -7.147 5.016 4.854 256 1HD1 LEU 32 HD11 LEU 32 -6.971 5.879 2.432 257 2HD1 LEU 32 HD12 LEU 32 -6.434 6.971 3.709 258 3HD1 LEU 32 HD13 LEU 32 -8.012 7.203 2.956 259 1HD2 LEU 32 HD21 LEU 32 -8.485 7.443 5.183 260 2HD2 LEU 32 HD22 LEU 32 -8.474 6.103 6.331 261 3HD2 LEU 32 HD23 LEU 32 -9.780 6.247 5.154 262 H ASN 33 HN ASN 33 -10.485 2.499 3.639 263 HA ASN 33 HA ASN 33 -10.503 0.882 1.123 264 1HB ASN 33 HB2 ASN 33 -11.807 -0.735 2.167 265 2HB ASN 33 HB1 ASN 33 -10.787 -0.208 3.495 266 1HD2 ASN 33 HD21 ASN 33 -13.033 -1.372 4.339 267 2HD2 ASN 33 HD22 ASN 33 -14.175 -0.241 4.875 268 H ASN 34 HN ASN 34 -12.632 0.823 -0.016 269 HA ASN 34 HA ASN 34 -13.931 3.488 0.152 270 1HB ASN 34 HB2 ASN 34 -13.275 2.868 -2.081 271 2HB ASN 34 HB1 ASN 34 -14.039 1.286 -1.926 272 1HD2 ASN 34 HD21 ASN 34 -15.327 1.960 -3.895 273 2HD2 ASN 34 HD22 ASN 34 -16.691 2.944 -3.677 274 H LYS 35 HN LYS 35 -15.666 0.710 -1.073 275 HA LYS 35 HA LYS 35 -17.276 0.546 1.412 276 1HB LYS 35 HB2 LYS 35 -18.200 2.243 -0.386 277 2HB LYS 35 HB1 LYS 35 -18.729 0.773 -1.204 278 1HG LYS 35 HG2 LYS 35 -20.566 0.998 0.132 279 2HG LYS 35 HG1 LYS 35 -19.531 0.233 1.337 280 1HD LYS 35 HD2 LYS 35 -19.720 2.075 2.614 281 2HD LYS 35 HD1 LYS 35 -18.880 2.989 1.361 282 1HE LYS 35 HE2 LYS 35 -20.803 3.924 0.573 283 2HE LYS 35 HE1 LYS 35 -21.735 2.446 0.810 284 1HZ LYS 35 HZ1 LYS 35 -22.072 2.924 3.045 285 2HZ LYS 35 HZ2 LYS 35 -22.258 4.435 2.291 286 3HZ LYS 35 HZ3 LYS 35 -20.814 4.061 3.105 287 H VAL 36 HN VAL 36 -15.418 -1.287 0.221 288 HA VAL 36 HA VAL 36 -17.226 -3.600 -0.088 289 HB VAL 36 HB VAL 36 -15.024 -3.485 -2.092 290 1HG1 VAL 36 1HG1 VAL 36 -17.904 -4.307 -2.459 291 2HG1 VAL 36 2HG1 VAL 36 -16.746 -5.367 -1.655 292 3HG1 VAL 36 3HG1 VAL 36 -16.480 -4.878 -3.328 293 1HG2 VAL 36 1HG2 VAL 36 -15.980 -1.241 -2.332 294 2HG2 VAL 36 2HG2 VAL 36 -17.610 -1.915 -2.364 295 3HG2 VAL 36 3HG2 VAL 36 -16.492 -2.247 -3.688 296 HA PRO 37 HA PRO 37 -13.236 -4.235 2.236 297 1HB PRO 37 HB2 PRO 37 -14.403 -4.608 4.700 298 2HB PRO 37 HB1 PRO 37 -13.864 -3.030 4.102 299 1HG PRO 37 HG2 PRO 37 -16.638 -4.098 4.352 300 2HG PRO 37 HG1 PRO 37 -16.075 -2.419 4.385 301 1HD PRO 37 HD2 PRO 37 -17.289 -3.709 2.184 302 2HD PRO 37 HD1 PRO 37 -16.413 -2.164 2.133 303 HA PRO 38 HA PRO 38 -12.646 -5.133 4.388 304 1HB PRO 38 HB2 PRO 38 -10.897 -7.138 5.057 305 2HB PRO 38 HB1 PRO 38 -12.422 -6.858 5.913 306 1HG PRO 38 HG2 PRO 38 -11.725 -9.030 4.006 307 2HG PRO 38 HG1 PRO 38 -12.952 -9.010 5.282 308 1HD PRO 38 HD2 PRO 38 -13.397 -8.646 2.488 309 2HD PRO 38 HD1 PRO 38 -14.583 -8.424 3.792 310 H HIS 39 HN HIS 39 -9.899 -5.601 4.370 311 HA HIS 39 HA HIS 39 -8.940 -6.123 1.667 312 1HB HIS 39 HB2 HIS 39 -9.055 -3.284 2.715 313 2HB HIS 39 HB1 HIS 39 -7.988 -3.783 1.400 314 HD2 HIS 39 HD2 HIS 39 -11.554 -2.544 1.801 315 HE1 HIS 39 HE1 HIS 39 -11.539 -4.697 -1.831 316 HE2 HIS 39 HE2 HIS 39 -12.897 -3.184 -0.336 317 H ASN 40 HN ASN 40 -6.951 -6.999 1.941 318 HA ASN 40 HA ASN 40 -5.488 -6.390 4.463 319 1HB ASN 40 HB2 ASN 40 -6.058 -8.805 3.407 320 2HB ASN 40 HB1 ASN 40 -4.519 -8.501 2.599 321 1HD2 ASN 40 HD21 ASN 40 -6.023 -8.631 5.854 322 2HD2 ASN 40 HD22 ASN 40 -4.582 -8.990 6.675 323 H VAL 41 HN VAL 41 -4.045 -4.748 4.208 324 HA VAL 41 HA VAL 41 -2.700 -4.433 1.569 325 HB VAL 41 HB VAL 41 -3.034 -2.577 3.940 326 1HG1 VAL 41 1HG1 VAL 41 -1.918 -1.004 2.067 327 2HG1 VAL 41 2HG1 VAL 41 -1.134 -2.527 1.646 328 3HG1 VAL 41 3HG1 VAL 41 -0.955 -1.862 3.270 329 1HG2 VAL 41 1HG2 VAL 41 -4.916 -2.092 2.772 330 2HG2 VAL 41 2HG2 VAL 41 -4.366 -2.996 1.361 331 3HG2 VAL 41 3HG2 VAL 41 -3.846 -1.327 1.596 332 H VAL 42 HN VAL 42 -0.577 -4.998 1.370 333 HA VAL 42 HA VAL 42 1.269 -4.807 3.635 334 HB VAL 42 HB VAL 42 1.838 -7.399 2.990 335 1HG1 VAL 42 1HG1 VAL 42 1.719 -6.825 5.264 336 2HG1 VAL 42 2HG1 VAL 42 0.380 -7.955 5.068 337 3HG1 VAL 42 3HG1 VAL 42 0.069 -6.223 5.122 338 1HG2 VAL 42 1HG2 VAL 42 -0.385 -8.602 3.061 339 2HG2 VAL 42 2HG2 VAL 42 -0.077 -7.733 1.558 340 3HG2 VAL 42 3HG2 VAL 42 -1.164 -7.048 2.766 341 H PHE 43 HN PHE 43 3.517 -5.530 2.915 342 HA PHE 43 HA PHE 43 3.835 -4.952 -0.003 343 1HB PHE 43 HB2 PHE 43 6.031 -4.737 2.060 344 2HB PHE 43 HB1 PHE 43 5.930 -3.960 0.479 345 HD1 PHE 43 HD1 PHE 43 4.954 -1.820 0.250 346 HD2 PHE 43 HD2 PHE 43 4.350 -4.086 3.847 347 HE1 PHE 43 HE1 PHE 43 3.898 0.155 1.320 348 HE2 PHE 43 HE2 PHE 43 3.298 -2.111 4.904 349 HZ PHE 43 HZ PHE 43 3.078 -0.009 3.659 350 H ASP 44 HN ASP 44 4.803 -6.505 -1.272 351 HA ASP 44 HA ASP 44 5.136 -9.165 -0.342 352 1HB ASP 44 HB2 ASP 44 5.011 -8.200 -2.787 353 2HB ASP 44 HB1 ASP 44 6.767 -8.129 -2.645 354 H ALA 45 HN ALA 45 6.861 -10.215 0.604 355 HA ALA 45 HA ALA 45 9.073 -8.548 1.550 356 1HB ALA 45 HB1 ALA 45 9.088 -11.477 2.037 357 2HB ALA 45 HB2 ALA 45 7.729 -10.578 2.713 358 3HB ALA 45 HB3 ALA 45 9.381 -10.149 3.159 359 H ALA 46 HN ALA 46 8.768 -9.456 -1.379 360 HA ALA 46 HA ALA 46 11.573 -10.428 -1.625 361 1HB ALA 46 HB1 ALA 46 9.354 -12.044 -2.117 362 2HB ALA 46 HB2 ALA 46 10.994 -12.330 -2.700 363 3HB ALA 46 HB3 ALA 46 9.831 -11.480 -3.718 364 H LEU 47 HN LEU 47 9.529 -7.991 -2.251 365 HA LEU 47 HA LEU 47 10.687 -7.460 -4.956 366 1HB LEU 47 HB2 LEU 47 8.023 -6.997 -3.774 367 2HB LEU 47 HB1 LEU 47 8.673 -5.621 -4.667 368 HG LEU 47 HG LEU 47 9.269 -7.418 -6.480 369 1HD1 LEU 47 HD11 LEU 47 8.506 -9.509 -6.142 370 2HD1 LEU 47 HD12 LEU 47 6.872 -8.905 -5.868 371 3HD1 LEU 47 HD13 LEU 47 8.005 -9.023 -4.522 372 1HD2 LEU 47 HD21 LEU 47 7.519 -5.552 -6.559 373 2HD2 LEU 47 HD22 LEU 47 6.342 -6.768 -6.063 374 3HD2 LEU 47 HD23 LEU 47 7.204 -6.946 -7.590 375 H ASN 48 HN ASN 48 12.219 -6.982 -2.623 376 HA ASN 48 HA ASN 48 12.147 -3.996 -2.448 377 1HB ASN 48 HB2 ASN 48 13.703 -4.621 -0.363 378 2HB ASN 48 HB1 ASN 48 11.944 -4.608 -0.229 379 1HD2 ASN 48 HD21 ASN 48 12.000 -6.299 1.440 380 2HD2 ASN 48 HD22 ASN 48 12.352 -7.910 1.037 381 HA PRO 49 HA PRO 49 16.129 -3.842 -4.252 382 1HB PRO 49 HB2 PRO 49 17.271 -1.759 -2.869 383 2HB PRO 49 HB1 PRO 49 16.009 -1.552 -4.096 384 1HG PRO 49 HG2 PRO 49 15.790 -1.357 -1.129 385 2HG PRO 49 HG1 PRO 49 14.803 -0.584 -2.379 386 1HD PRO 49 HD2 PRO 49 14.074 -2.861 -0.864 387 2HD PRO 49 HD1 PRO 49 13.257 -2.275 -2.329 388 H ALA 50 HN ALA 50 16.135 -4.001 -0.695 389 HA ALA 50 HA ALA 50 18.740 -5.446 -0.904 390 1HB ALA 50 HB1 ALA 50 18.771 -3.094 0.188 391 2HB ALA 50 HB2 ALA 50 19.549 -4.415 1.059 392 3HB ALA 50 HB3 ALA 50 17.942 -3.871 1.537 393 H LYS 51 HN LYS 51 15.890 -6.356 -0.793 394 HA LYS 51 HA LYS 51 14.533 -7.853 0.470 395 1HB LYS 51 HB2 LYS 51 17.258 -9.148 0.728 396 2HB LYS 51 HB1 LYS 51 15.696 -9.964 0.810 397 1HG LYS 51 HG2 LYS 51 15.288 -8.935 -1.544 398 2HG LYS 51 HG1 LYS 51 17.037 -8.704 -1.574 399 1HD LYS 51 HD2 LYS 51 16.196 -11.378 -0.668 400 2HD LYS 51 HD1 LYS 51 15.761 -11.014 -2.338 401 1HE LYS 51 HE2 LYS 51 18.511 -10.263 -1.485 402 2HE LYS 51 HE1 LYS 51 18.179 -11.986 -1.658 403 1HZ LYS 51 HZ1 LYS 51 18.959 -11.014 -3.730 404 2HZ LYS 51 HZ2 LYS 51 17.664 -9.914 -3.722 405 3HZ LYS 51 HZ3 LYS 51 17.368 -11.578 -3.889 406 H SER 52 HN SER 52 13.957 -6.631 2.354 407 HA SER 52 HA SER 52 15.448 -7.488 4.784 408 1HB SER 52 HB2 SER 52 14.676 -4.637 4.105 409 2HB SER 52 HB1 SER 52 15.213 -5.161 5.699 410 HG SER 52 HG SER 52 16.977 -4.409 4.534 411 H ALA 53 HN ALA 53 14.091 -8.006 6.469 412 HA ALA 53 HA ALA 53 11.237 -8.131 5.942 413 1HB ALA 53 HB1 ALA 53 11.084 -9.351 7.946 414 2HB ALA 53 HB2 ALA 53 12.472 -8.529 8.660 415 3HB ALA 53 HB3 ALA 53 12.715 -9.725 7.386 416 H ASP 54 HN ASP 54 13.258 -6.283 8.244 417 HA ASP 54 HA ASP 54 11.301 -4.858 9.612 418 1HB ASP 54 HB2 ASP 54 12.996 -2.922 9.570 419 2HB ASP 54 HB1 ASP 54 13.566 -4.459 10.221 420 H LEU 55 HN LEU 55 12.355 -4.435 6.281 421 HA LEU 55 HA LEU 55 10.726 -1.998 5.956 422 1HB LEU 55 HB2 LEU 55 12.914 -2.292 4.767 423 2HB LEU 55 HB1 LEU 55 12.194 -3.620 3.856 424 HG LEU 55 HG LEU 55 10.483 -2.103 2.959 425 1HD1 LEU 55 HD11 LEU 55 11.526 -0.393 5.087 426 2HD1 LEU 55 HD12 LEU 55 9.990 -0.296 4.226 427 3HD1 LEU 55 HD13 LEU 55 11.434 0.451 3.541 428 1HD2 LEU 55 HD21 LEU 55 12.517 -0.341 2.153 429 2HD2 LEU 55 HD22 LEU 55 12.031 -1.827 1.338 430 3HD2 LEU 55 HD23 LEU 55 13.344 -1.855 2.515 431 H ALA 56 HN ALA 56 8.996 -3.843 6.784 432 HA ALA 56 HA ALA 56 6.949 -3.985 4.931 433 1HB ALA 56 HB1 ALA 56 7.865 -5.350 3.333 434 2HB ALA 56 HB2 ALA 56 7.341 -6.621 4.438 435 3HB ALA 56 HB3 ALA 56 9.015 -6.067 4.462 436 H LYS 57 HN LYS 57 8.643 -6.255 7.115 437 HA LYS 57 HA LYS 57 6.368 -7.549 8.170 438 1HB LYS 57 HB2 LYS 57 8.822 -8.101 8.602 439 2HB LYS 57 HB1 LYS 57 8.808 -6.807 9.801 440 1HG LYS 57 HG2 LYS 57 6.603 -8.116 10.594 441 2HG LYS 57 HG1 LYS 57 7.471 -9.470 9.870 442 1HD LYS 57 HD2 LYS 57 8.762 -7.581 11.849 443 2HD LYS 57 HD1 LYS 57 7.939 -9.060 12.345 444 1HE LYS 57 HE2 LYS 57 9.643 -9.786 10.207 445 2HE LYS 57 HE1 LYS 57 10.598 -8.751 11.269 446 1HZ LYS 57 HZ1 LYS 57 10.486 -11.244 11.776 447 2HZ LYS 57 HZ2 LYS 57 8.929 -10.918 12.373 448 3HZ LYS 57 HZ3 LYS 57 10.282 -10.157 13.062 449 H SER 58 HN SER 58 7.844 -4.449 9.071 450 HA SER 58 HA SER 58 5.638 -4.036 11.037 451 1HB SER 58 HB2 SER 58 7.677 -3.571 12.117 452 2HB SER 58 HB1 SER 58 8.370 -2.814 10.686 453 HG SER 58 HG SER 58 6.626 -1.800 12.604 454 H LEU 59 HN LEU 59 6.818 -3.042 7.947 455 HA LEU 59 HA LEU 59 5.638 -0.431 7.808 456 1HB LEU 59 HB2 LEU 59 7.294 -1.556 6.164 457 2HB LEU 59 HB1 LEU 59 5.871 -2.302 5.451 458 HG LEU 59 HG LEU 59 4.884 -0.040 5.149 459 1HD1 LEU 59 HD11 LEU 59 7.510 0.734 6.407 460 2HD1 LEU 59 HD12 LEU 59 5.891 1.322 6.784 461 3HD1 LEU 59 HD13 LEU 59 6.695 1.841 5.303 462 1HD2 LEU 59 HD21 LEU 59 6.825 -1.306 3.644 463 2HD2 LEU 59 HD22 LEU 59 7.476 0.324 3.817 464 3HD2 LEU 59 HD23 LEU 59 5.877 0.082 3.114 465 H SER 60 HN SER 60 4.443 -3.621 6.738 466 HA SER 60 HA SER 60 1.819 -2.506 6.084 467 1HB SER 60 HB2 SER 60 1.258 -4.885 5.606 468 2HB SER 60 HB1 SER 60 2.685 -4.324 4.742 469 HG SER 60 HG SER 60 3.716 -5.868 5.707 470 H HIS 61 HN HIS 61 -0.108 -3.944 6.940 471 HA HIS 61 HA HIS 61 0.101 -3.956 9.919 472 1HB HIS 61 HB2 HIS 61 -2.266 -3.502 9.970 473 2HB HIS 61 HB1 HIS 61 -1.560 -2.385 8.801 474 HD1 HIS 61 HD1 HIS 61 -3.892 -5.284 9.086 475 HD2 HIS 61 HD2 HIS 61 -2.103 -3.056 6.041 476 HE1 HIS 61 HE1 HIS 61 -5.106 -5.882 6.942 477 H LYS 62 HN LYS 62 -2.408 -5.431 10.169 478 HA LYS 62 HA LYS 62 -1.842 -8.027 8.868 479 1HB LYS 62 HB2 LYS 62 -1.452 -7.432 11.765 480 2HB LYS 62 HB1 LYS 62 -2.223 -8.967 11.360 481 1HG LYS 62 HG2 LYS 62 0.261 -8.134 9.892 482 2HG LYS 62 HG1 LYS 62 0.400 -8.835 11.504 483 1HD LYS 62 HD2 LYS 62 -0.823 -10.822 10.789 484 2HD LYS 62 HD1 LYS 62 -1.092 -10.114 9.196 485 1HE LYS 62 HE2 LYS 62 1.503 -9.920 9.097 486 2HE LYS 62 HE1 LYS 62 1.483 -11.106 10.403 487 1HZ LYS 62 HZ1 LYS 62 -0.312 -11.884 8.372 488 2HZ LYS 62 HZ2 LYS 62 1.059 -12.703 8.952 489 3HZ LYS 62 HZ3 LYS 62 1.208 -11.581 7.685 490 H GLN 63 HN GLN 63 -3.816 -6.725 11.566 491 HA GLN 63 HA GLN 63 -6.084 -8.293 11.250 492 1HB GLN 63 HB2 GLN 63 -7.384 -6.302 12.088 493 2HB GLN 63 HB1 GLN 63 -5.955 -6.683 13.051 494 1HG GLN 63 HG2 GLN 63 -5.180 -4.927 10.921 495 2HG GLN 63 HG1 GLN 63 -6.575 -4.230 11.746 496 1HE2 GLN 63 1HE2 GLN 63 -5.591 -2.665 13.089 497 2HE2 GLN 63 2HE2 GLN 63 -4.380 -3.018 14.225 498 H LEU 64 HN LEU 64 -7.982 -8.157 9.966 499 HA LEU 64 HA LEU 64 -7.569 -7.160 7.269 500 1HB LEU 64 HB2 LEU 64 -9.833 -8.513 8.719 501 2HB LEU 64 HB1 LEU 64 -10.101 -7.814 7.122 502 HG LEU 64 HG LEU 64 -7.785 -9.161 6.675 503 1HD1 LEU 64 HD11 LEU 64 -8.108 -11.419 7.747 504 2HD1 LEU 64 HD12 LEU 64 -9.338 -10.691 8.781 505 3HD1 LEU 64 HD13 LEU 64 -7.665 -10.145 8.883 506 1HD2 LEU 64 HD21 LEU 64 -9.277 -10.974 5.740 507 2HD2 LEU 64 HD22 LEU 64 -9.747 -9.342 5.264 508 3HD2 LEU 64 HD23 LEU 64 -10.639 -10.182 6.533 509 H LEU 65 HN LEU 65 -9.219 -5.679 6.225 510 HA LEU 65 HA LEU 65 -9.517 -3.276 7.883 511 1HB LEU 65 HB2 LEU 65 -9.517 -3.922 5.039 512 2HB LEU 65 HB1 LEU 65 -10.829 -2.823 5.462 513 HG LEU 65 HG LEU 65 -9.128 -1.419 6.699 514 1HD1 LEU 65 HD11 LEU 65 -6.860 -1.892 6.600 515 2HD1 LEU 65 HD12 LEU 65 -7.009 -2.795 5.093 516 3HD1 LEU 65 HD13 LEU 65 -7.511 -3.531 6.615 517 1HD2 LEU 65 HD21 LEU 65 -7.962 -1.278 4.075 518 2HD2 LEU 65 HD22 LEU 65 -9.161 -0.207 4.798 519 3HD2 LEU 65 HD23 LEU 65 -9.679 -1.643 3.915 520 H MET 66 HN MET 66 -11.346 -2.785 8.996 521 HA MET 66 HA MET 66 -13.881 -4.132 8.155 522 1HB MET 66 HB2 MET 66 -12.790 -4.951 10.334 523 2HB MET 66 HB1 MET 66 -13.222 -3.377 11.004 524 1HG MET 66 HG2 MET 66 -15.402 -3.946 11.191 525 2HG MET 66 HG1 MET 66 -15.441 -4.621 9.562 526 1HE MET 66 HE1 MET 66 -14.854 -7.568 9.169 527 2HE MET 66 HE2 MET 66 -16.191 -6.421 9.202 528 3HE MET 66 HE3 MET 66 -16.287 -7.902 10.152 529 H SER 67 HN SER 67 -12.291 -1.195 9.150 530 HA SER 67 HA SER 67 -14.856 0.247 9.422 531 1HB SER 67 HB2 SER 67 -12.900 0.737 10.926 532 2HB SER 67 HB1 SER 67 -12.029 1.342 9.519 533 HG SER 67 HG SER 67 -13.330 3.043 9.431 534 HA PRO 68 HA PRO 68 -14.784 1.496 5.190 535 1HB PRO 68 HB2 PRO 68 -16.671 3.483 5.392 536 2HB PRO 68 HB1 PRO 68 -17.067 1.755 5.375 537 1HG PRO 68 HG2 PRO 68 -17.067 3.658 7.672 538 2HG PRO 68 HG1 PRO 68 -18.007 2.174 7.445 539 1HD PRO 68 HD2 PRO 68 -15.694 2.442 9.055 540 2HD PRO 68 HD1 PRO 68 -16.447 0.912 8.555 541 H GLY 69 HN GLY 69 -12.778 2.526 4.826 542 1HA GLY 69 HA2 GLY 69 -11.748 4.604 4.105 543 2HA GLY 69 HA1 GLY 69 -12.779 5.474 5.245 544 H GLN 70 HN GLN 70 -10.675 2.631 5.698 545 HA GLN 70 HA GLN 70 -8.663 4.077 7.181 546 1HB GLN 70 HB2 GLN 70 -11.008 3.574 8.615 547 2HB GLN 70 HB1 GLN 70 -9.916 2.282 9.110 548 1HG GLN 70 HG2 GLN 70 -8.154 4.029 9.530 549 2HG GLN 70 HG1 GLN 70 -9.379 5.261 9.221 550 1HE2 GLN 70 1HE2 GLN 70 -11.455 3.340 10.491 551 2HE2 GLN 70 2HE2 GLN 70 -11.219 3.544 12.159 552 H SER 71 HN SER 71 -7.231 2.779 5.922 553 HA SER 71 HA SER 71 -7.452 -0.151 6.362 554 1HB SER 71 HB2 SER 71 -6.295 -0.503 4.358 555 2HB SER 71 HB1 SER 71 -7.253 0.926 3.995 556 HG SER 71 HG SER 71 -4.547 0.607 4.174 557 H THR 72 HN THR 72 -4.553 1.805 5.705 558 HA THR 72 HA THR 72 -3.517 1.436 8.407 559 HB THR 72 HB THR 72 -2.424 -0.182 6.092 560 HG1 THR 72 HG1 THR 72 -4.052 -1.074 7.475 561 1HG2 THR 72 1HG2 THR 72 -1.132 0.361 8.780 562 2HG2 THR 72 2HG2 THR 72 -0.580 1.013 7.237 563 3HG2 THR 72 3HG2 THR 72 -0.514 -0.724 7.534 564 H SER 73 HN SER 73 -2.735 3.492 8.624 565 HA SER 73 HA SER 73 -1.643 4.942 6.330 566 1HB SER 73 HB2 SER 73 -2.704 6.393 7.832 567 2HB SER 73 HB1 SER 73 -2.082 5.544 9.244 568 HG SER 73 HG SER 73 -0.920 7.427 9.008 569 H THR 74 HN THR 74 0.064 3.333 5.875 570 HA THR 74 HA THR 74 2.149 2.721 7.720 571 HB THR 74 HB THR 74 2.303 2.899 4.697 572 HG1 THR 74 HG1 THR 74 0.742 1.441 5.990 573 1HG2 THR 74 1HG2 THR 74 4.314 1.773 4.818 574 2HG2 THR 74 2HG2 THR 74 3.925 1.034 6.372 575 3HG2 THR 74 3HG2 THR 74 4.417 2.726 6.299 576 H THR 75 HN THR 75 2.950 4.541 8.776 577 HA THR 75 HA THR 75 3.784 6.907 7.269 578 HB THR 75 HB THR 75 3.031 7.281 9.528 579 HG1 THR 75 HG1 THR 75 4.588 8.653 9.683 580 1HG2 THR 75 1HG2 THR 75 3.260 5.630 11.034 581 2HG2 THR 75 2HG2 THR 75 4.979 6.011 11.137 582 3HG2 THR 75 3HG2 THR 75 4.413 4.797 9.991 583 H PHE 76 HN PHE 76 5.161 5.534 5.813 584 HA PHE 76 HA PHE 76 7.310 3.965 6.292 585 1HB PHE 76 HB2 PHE 76 7.002 6.297 4.424 586 2HB PHE 76 HB1 PHE 76 8.544 5.444 4.499 587 HD1 PHE 76 HD1 PHE 76 8.814 3.285 3.533 588 HD2 PHE 76 HD2 PHE 76 4.880 4.988 3.870 589 HE1 PHE 76 HE1 PHE 76 7.915 1.479 2.098 590 HE2 PHE 76 HE2 PHE 76 3.986 3.175 2.432 591 HZ PHE 76 HZ PHE 76 5.499 1.426 1.548 592 HA PRO 77 HA PRO 77 9.976 6.022 9.107 593 1HB PRO 77 HB2 PRO 77 12.246 4.549 8.621 594 2HB PRO 77 HB1 PRO 77 10.867 3.950 9.553 595 1HG PRO 77 HG2 PRO 77 11.686 3.267 6.768 596 2HG PRO 77 HG1 PRO 77 10.793 2.291 7.947 597 1HD PRO 77 HD2 PRO 77 9.655 3.677 5.772 598 2HD PRO 77 HD1 PRO 77 8.765 3.027 7.164 599 H ALA 78 HN ALA 78 12.416 6.846 9.086 600 HA ALA 78 HA ALA 78 12.638 8.669 6.788 601 1HB ALA 78 HB1 ALA 78 14.898 8.973 8.430 602 2HB ALA 78 HB2 ALA 78 13.574 8.603 9.536 603 3HB ALA 78 HB3 ALA 78 13.448 9.977 8.437 604 H ASP 79 HN ASP 79 13.326 5.574 6.980 605 HA ASP 79 HA ASP 79 16.091 5.727 5.900 606 1HB ASP 79 HB2 ASP 79 14.370 3.548 7.039 607 2HB ASP 79 HB1 ASP 79 15.646 3.109 5.903 608 H ALA 80 HN ALA 80 13.254 3.720 5.080 609 HA ALA 80 HA ALA 80 12.676 2.892 2.914 610 1HB ALA 80 HB1 ALA 80 12.077 5.708 3.340 611 2HB ALA 80 HB2 ALA 80 11.060 4.437 2.663 612 3HB ALA 80 HB3 ALA 80 12.189 5.310 1.625 613 HA PRO 81 HA PRO 81 16.578 3.460 0.666 614 1HB PRO 81 HB2 PRO 81 16.590 0.892 -0.324 615 2HB PRO 81 HB1 PRO 81 17.232 1.335 1.268 616 1HG PRO 81 HG2 PRO 81 14.682 -0.063 0.592 617 2HG PRO 81 HG1 PRO 81 15.664 -0.167 2.064 618 1HD PRO 81 HD2 PRO 81 13.280 1.320 1.780 619 2HD PRO 81 HD1 PRO 81 14.461 1.493 3.096 620 H ALA 82 HN ALA 82 16.989 3.488 -1.669 621 HA ALA 82 HA ALA 82 14.654 4.150 -3.238 622 1HB ALA 82 HB1 ALA 82 16.820 3.654 -4.987 623 2HB ALA 82 HB2 ALA 82 17.524 4.326 -3.516 624 3HB ALA 82 HB3 ALA 82 16.273 5.218 -4.383 625 H GLY 83 HN GLY 83 13.574 2.904 -4.757 626 1HA GLY 83 HA2 GLY 83 14.314 0.697 -6.186 627 2HA GLY 83 HA1 GLY 83 13.980 0.004 -4.598 628 H GLU 84 HN GLU 84 12.392 -0.872 -6.598 629 HA GLU 84 HA GLU 84 9.956 0.785 -6.715 630 1HB GLU 84 HB2 GLU 84 9.994 -2.014 -7.754 631 2HB GLU 84 HB1 GLU 84 9.283 -0.564 -8.463 632 1HG GLU 84 HG2 GLU 84 11.628 0.265 -8.906 633 2HG GLU 84 HG1 GLU 84 12.217 -1.318 -8.397 634 H TYR 85 HN TYR 85 8.237 0.498 -5.375 635 HA TYR 85 HA TYR 85 8.253 -1.912 -3.604 636 1HB TYR 85 HB2 TYR 85 7.047 0.842 -3.176 637 2HB TYR 85 HB1 TYR 85 6.854 -0.517 -2.068 638 HD1 TYR 85 HD1 TYR 85 9.600 1.267 -3.909 639 HD2 TYR 85 HD2 TYR 85 8.340 -0.665 -0.286 640 HE1 TYR 85 HE1 TYR 85 11.783 1.808 -2.861 641 HE2 TYR 85 HE2 TYR 85 10.522 -0.124 0.762 642 HH TYR 85 HH TYR 85 12.970 1.784 -0.981 643 H THR 86 HN THR 86 6.416 -3.224 -3.628 644 HA THR 86 HA THR 86 4.074 -2.226 -5.180 645 HB THR 86 HB THR 86 5.443 -4.903 -5.558 646 HG1 THR 86 HG1 THR 86 5.430 -2.477 -6.891 647 1HG2 THR 86 1HG2 THR 86 3.096 -3.847 -7.124 648 2HG2 THR 86 2HG2 THR 86 2.858 -4.777 -5.644 649 3HG2 THR 86 3HG2 THR 86 3.694 -5.503 -7.017 650 H PHE 87 HN PHE 87 2.358 -2.362 -3.852 651 HA PHE 87 HA PHE 87 2.234 -4.613 -1.926 652 1HB PHE 87 HB2 PHE 87 0.363 -2.975 -0.947 653 2HB PHE 87 HB1 PHE 87 2.065 -2.801 -0.516 654 HD1 PHE 87 HD1 PHE 87 3.515 -1.242 -1.909 655 HD2 PHE 87 HD2 PHE 87 -0.771 -1.258 -2.101 656 HE1 PHE 87 HE1 PHE 87 3.560 1.004 -2.938 657 HE2 PHE 87 HE2 PHE 87 -0.735 0.991 -3.129 658 HZ PHE 87 HZ PHE 87 1.431 2.134 -3.551 659 H TYR 88 HN TYR 88 -0.083 -5.426 -1.552 660 HA TYR 88 HA TYR 88 -1.956 -4.869 -3.734 661 1HB TYR 88 HB2 TYR 88 -2.000 -7.131 -4.617 662 2HB TYR 88 HB1 TYR 88 -0.344 -6.527 -4.695 663 HD1 TYR 88 HD1 TYR 88 1.092 -6.962 -2.494 664 HD2 TYR 88 HD2 TYR 88 -2.353 -9.238 -3.676 665 HE1 TYR 88 HE1 TYR 88 1.853 -8.849 -1.078 666 HE2 TYR 88 HE2 TYR 88 -1.592 -11.126 -2.260 667 HH TYR 88 HH TYR 88 0.590 -10.868 0.125 668 H CYS 89 HN CYS 89 -3.406 -7.329 -3.425 669 HA CYS 89 HA CYS 89 -4.244 -7.208 -0.560 670 1HB CYS 89 HB2 CYS 89 -5.669 -6.025 -2.555 671 2HB CYS 89 HB1 CYS 89 -6.352 -7.649 -2.597 672 H GLU 90 HN GLU 90 -5.301 -9.199 0.167 673 HA GLU 90 HA GLU 90 -4.274 -11.544 -1.289 674 1HB GLU 90 HB2 GLU 90 -3.922 -11.509 1.111 675 2HB GLU 90 HB1 GLU 90 -5.645 -11.307 1.404 676 1HG GLU 90 HG2 GLU 90 -5.364 -13.611 1.700 677 2HG GLU 90 HG1 GLU 90 -5.881 -13.513 0.017 678 HA PRO 91 HA PRO 91 -8.959 -12.459 -1.399 679 1HB PRO 91 HB2 PRO 91 -10.676 -10.413 -0.754 680 2HB PRO 91 HB1 PRO 91 -10.059 -11.586 0.422 681 1HG PRO 91 HG2 PRO 91 -9.312 -8.732 0.065 682 2HG PRO 91 HG1 PRO 91 -9.176 -9.754 1.502 683 1HD PRO 91 HD2 PRO 91 -7.072 -9.038 -0.275 684 2HD PRO 91 HD1 PRO 91 -6.996 -10.233 1.034 685 H HIS 92 HN HIS 92 -8.747 -8.921 -2.037 686 HA HIS 92 HA HIS 92 -10.020 -9.326 -4.670 687 1HB HIS 92 HB2 HIS 92 -8.898 -6.711 -3.686 688 2HB HIS 92 HB1 HIS 92 -10.276 -6.991 -4.751 689 HD2 HIS 92 HD2 HIS 92 -12.721 -7.270 -3.422 690 HE1 HIS 92 HE1 HIS 92 -11.191 -7.482 0.495 691 HE2 HIS 92 HE2 HIS 92 -13.302 -7.399 -0.892 692 H ARG 93 HN ARG 93 -7.346 -10.473 -4.202 693 HA ARG 93 HA ARG 93 -5.300 -8.854 -5.366 694 1HB ARG 93 HB2 ARG 93 -4.099 -10.969 -5.726 695 2HB ARG 93 HB1 ARG 93 -4.839 -10.949 -4.125 696 1HG ARG 93 HG2 ARG 93 -6.807 -12.186 -5.115 697 2HG ARG 93 HG1 ARG 93 -5.869 -12.361 -6.599 698 1HD ARG 93 HD2 ARG 93 -4.029 -13.377 -5.122 699 2HD ARG 93 HD1 ARG 93 -5.261 -13.494 -3.866 700 HE ARG 93 HE ARG 93 -5.744 -14.749 -6.528 701 1HH1 ARG 93 HH21 ARG 93 -4.390 -15.413 -3.526 702 2HH1 ARG 93 HH22 ARG 93 -5.371 -16.802 -3.195 703 1HH2 ARG 93 HH11 ARG 93 -7.449 -16.313 -5.928 704 2HH2 ARG 93 HH12 ARG 93 -7.103 -17.311 -4.556 705 H GLY 94 HN GLY 94 -7.961 -10.599 -6.762 706 1HA GLY 94 HA2 GLY 94 -6.776 -10.366 -9.479 707 2HA GLY 94 HA1 GLY 94 -8.230 -11.280 -9.073 708 H ALA 95 HN ALA 95 -8.270 -8.307 -7.498 709 HA ALA 95 HA ALA 95 -10.102 -7.222 -9.588 710 1HB ALA 95 HB1 ALA 95 -11.397 -6.300 -7.908 711 2HB ALA 95 HB2 ALA 95 -10.026 -6.109 -6.815 712 3HB ALA 95 HB3 ALA 95 -10.753 -7.698 -7.048 713 H GLY 96 HN GLY 96 -7.230 -6.923 -9.747 714 1HA GLY 96 HA2 GLY 96 -5.658 -5.241 -10.185 715 2HA GLY 96 HA1 GLY 96 -7.041 -4.165 -10.377 716 H MET 97 HN MET 97 -6.199 -5.895 -7.396 717 HA MET 97 HA MET 97 -6.025 -3.258 -6.038 718 1HB MET 97 HB2 MET 97 -6.243 -6.089 -4.971 719 2HB MET 97 HB1 MET 97 -6.066 -4.667 -3.943 720 1HG MET 97 HG2 MET 97 -8.128 -3.995 -5.702 721 2HG MET 97 HG1 MET 97 -8.441 -5.679 -5.290 722 1HE MET 97 HE1 MET 97 -7.953 -2.170 -4.357 723 2HE MET 97 HE2 MET 97 -6.865 -2.608 -3.043 724 3HE MET 97 HE3 MET 97 -8.464 -1.966 -2.676 725 H VAL 98 HN VAL 98 -3.853 -3.126 -7.327 726 HA VAL 98 HA VAL 98 -1.714 -4.082 -5.489 727 HB VAL 98 HB VAL 98 -1.620 -4.328 -8.511 728 1HG1 VAL 98 1HG1 VAL 98 0.446 -4.097 -6.565 729 2HG1 VAL 98 2HG1 VAL 98 0.612 -4.468 -8.281 730 3HG1 VAL 98 3HG1 VAL 98 0.423 -5.774 -7.110 731 1HG2 VAL 98 1HG2 VAL 98 -1.589 -6.753 -8.070 732 2HG2 VAL 98 2HG2 VAL 98 -3.059 -6.026 -7.424 733 3HG2 VAL 98 3HG2 VAL 98 -1.734 -6.446 -6.339 734 H GLY 99 HN GLY 99 -0.954 -2.132 -4.763 735 1HA GLY 99 HA2 GLY 99 -0.554 0.039 -6.751 736 2HA GLY 99 HA1 GLY 99 -0.706 0.296 -5.014 737 H LYS 100 HN LYS 100 1.523 1.189 -6.687 738 HA LYS 100 HA LYS 100 3.694 -0.363 -5.339 739 1HB LYS 100 HB2 LYS 100 3.725 0.745 -8.163 740 2HB LYS 100 HB1 LYS 100 5.113 0.026 -7.346 741 1HG LYS 100 HG2 LYS 100 3.604 -2.032 -6.982 742 2HG LYS 100 HG1 LYS 100 2.546 -1.312 -8.196 743 1HD LYS 100 HD2 LYS 100 5.498 -1.810 -8.652 744 2HD LYS 100 HD1 LYS 100 4.239 -2.954 -9.117 745 1HE LYS 100 HE2 LYS 100 3.161 -0.965 -10.368 746 2HE LYS 100 HE1 LYS 100 4.724 -0.171 -10.177 747 1HZ LYS 100 HZ1 LYS 100 5.379 -2.652 -11.053 748 2HZ LYS 100 HZ2 LYS 100 5.291 -1.257 -12.019 749 3HZ LYS 100 HZ3 LYS 100 3.965 -2.315 -11.927 750 H ILE 101 HN ILE 101 5.198 0.892 -4.294 751 HA ILE 101 HA ILE 101 4.850 3.842 -4.524 752 HB ILE 101 HB ILE 101 5.282 2.053 -2.296 753 1HG1 ILE 101 2HG1 ILE 101 4.738 4.991 -2.709 754 2HG1 ILE 101 1HG1 ILE 101 3.647 3.742 -2.114 755 1HG2 ILE 101 1HG2 ILE 101 7.082 3.284 -1.132 756 2HG2 ILE 101 2HG2 ILE 101 7.359 4.250 -2.582 757 3HG2 ILE 101 3HG2 ILE 101 7.689 2.518 -2.600 758 1HD1 ILE 101 HD11 ILE 101 5.423 5.462 -0.612 759 2HD1 ILE 101 HD12 ILE 101 5.831 3.773 -0.313 760 3HD1 ILE 101 HD13 ILE 101 4.194 4.351 -0.012 761 H THR 102 HN THR 102 6.380 4.940 -5.660 762 HA THR 102 HA THR 102 8.929 3.530 -6.275 763 HB THR 102 HB THR 102 8.214 6.176 -7.492 764 HG1 THR 102 HG1 THR 102 6.997 3.683 -8.026 765 1HG2 THR 102 1HG2 THR 102 9.410 3.648 -8.657 766 2HG2 THR 102 2HG2 THR 102 10.361 4.957 -7.956 767 3HG2 THR 102 3HG2 THR 102 9.387 5.248 -9.398 768 H VAL 103 HN VAL 103 10.420 3.944 -4.718 769 HA VAL 103 HA VAL 103 10.463 6.634 -3.460 770 HB VAL 103 HB VAL 103 11.637 3.949 -2.738 771 1HG1 VAL 103 1HG1 VAL 103 12.268 6.644 -1.504 772 2HG1 VAL 103 2HG1 VAL 103 13.406 5.580 -2.331 773 3HG1 VAL 103 3HG1 VAL 103 12.696 5.088 -0.793 774 1HG2 VAL 103 1HG2 VAL 103 10.122 5.789 -0.920 775 2HG2 VAL 103 2HG2 VAL 103 10.167 4.025 -0.940 776 3HG2 VAL 103 3HG2 VAL 103 9.236 4.897 -2.157 777 H ALA 104 HN ALA 104 11.504 7.879 -5.046 778 HA ALA 104 HA ALA 104 14.365 7.809 -5.089 779 1HB ALA 104 HB1 ALA 104 13.038 6.917 -7.665 780 2HB ALA 104 HB2 ALA 104 13.907 5.842 -6.570 781 3HB ALA 104 HB3 ALA 104 14.767 7.141 -7.397 782 H GLY 105 HN GLY 105 14.690 9.005 -7.698 783 1HA GLY 105 HA2 GLY 105 13.587 10.891 -8.934 784 2HA GLY 105 HA1 GLY 105 13.015 11.464 -7.367 Start of MODEL 12 1 1H GLU 1 HT1 GLU 1 3.764 17.062 3.333 2 2H GLU 1 HT2 GLU 1 4.408 16.569 4.825 3 3H GLU 1 HT3 GLU 1 2.900 15.978 4.310 4 HA GLU 1 HA GLU 1 4.556 15.298 2.264 5 1HB GLU 1 HB2 GLU 1 5.926 14.716 4.907 6 2HB GLU 1 HB1 GLU 1 6.484 14.240 3.302 7 1HG GLU 1 HG2 GLU 1 6.933 16.495 2.676 8 2HG GLU 1 HG1 GLU 1 6.036 17.133 4.054 9 H THR 2 HN THR 2 2.130 14.517 2.701 10 HA THR 2 HA THR 2 2.380 11.717 3.693 11 HB THR 2 HB THR 2 -0.148 13.264 4.192 12 HG1 THR 2 HG1 THR 2 0.650 14.005 6.083 13 1HG2 THR 2 1HG2 THR 2 0.740 10.632 4.617 14 2HG2 THR 2 2HG2 THR 2 -0.736 11.365 5.244 15 3HG2 THR 2 3HG2 THR 2 0.739 11.386 6.211 16 H TYR 3 HN TYR 3 1.010 10.230 2.588 17 HA TYR 3 HA TYR 3 -0.531 11.351 0.291 18 1HB TYR 3 HB2 TYR 3 1.173 8.863 0.066 19 2HB TYR 3 HB1 TYR 3 0.419 9.786 -1.235 20 HD1 TYR 3 HD1 TYR 3 3.206 9.650 1.158 21 HD2 TYR 3 HD2 TYR 3 1.341 11.939 -1.961 22 HE1 TYR 3 HE1 TYR 3 5.246 11.046 0.964 23 HE2 TYR 3 HE2 TYR 3 3.381 13.336 -2.155 24 HH TYR 3 HH TYR 3 5.332 13.892 -1.125 25 H THR 4 HN THR 4 -2.362 10.077 -0.303 26 HA THR 4 HA THR 4 -2.904 7.691 1.398 27 HB THR 4 HB THR 4 -4.066 9.439 2.561 28 HG1 THR 4 HG1 THR 4 -5.923 8.248 0.782 29 1HG2 THR 4 1HG2 THR 4 -3.911 10.984 0.490 30 2HG2 THR 4 2HG2 THR 4 -5.323 11.148 1.533 31 3HG2 THR 4 3HG2 THR 4 -5.448 10.262 0.013 32 H VAL 5 HN VAL 5 -2.932 6.171 -0.231 33 HA VAL 5 HA VAL 5 -4.251 6.774 -2.794 34 HB VAL 5 HB VAL 5 -3.534 4.430 -3.349 35 1HG1 VAL 5 1HG1 VAL 5 -1.930 6.754 -2.893 36 2HG1 VAL 5 2HG1 VAL 5 -1.671 5.466 -4.070 37 3HG1 VAL 5 3HG1 VAL 5 -0.978 5.336 -2.453 38 1HG2 VAL 5 1HG2 VAL 5 -3.586 3.927 -0.733 39 2HG2 VAL 5 2HG2 VAL 5 -1.896 4.419 -0.846 40 3HG2 VAL 5 3HG2 VAL 5 -2.484 3.060 -1.804 41 H LYS 6 HN LYS 6 -6.318 7.080 -1.367 42 HA LYS 6 HA LYS 6 -7.676 4.979 -0.106 43 1HB LYS 6 HB2 LYS 6 -9.754 6.178 -0.668 44 2HB LYS 6 HB1 LYS 6 -8.500 7.312 -0.166 45 1HG LYS 6 HG2 LYS 6 -7.970 7.318 -2.780 46 2HG LYS 6 HG1 LYS 6 -9.671 6.861 -2.876 47 1HD LYS 6 HD2 LYS 6 -9.150 9.051 -0.986 48 2HD LYS 6 HD1 LYS 6 -8.746 9.448 -2.656 49 1HE LYS 6 HE2 LYS 6 -11.404 8.386 -1.657 50 2HE LYS 6 HE1 LYS 6 -11.082 10.018 -2.244 51 1HZ LYS 6 HZ1 LYS 6 -10.170 8.386 -4.231 52 2HZ LYS 6 HZ2 LYS 6 -11.636 9.247 -4.235 53 3HZ LYS 6 HZ3 LYS 6 -11.599 7.628 -3.720 54 H LEU 7 HN LEU 7 -7.865 2.949 -0.970 55 HA LEU 7 HA LEU 7 -7.992 2.421 -3.792 56 1HB LEU 7 HB2 LEU 7 -8.819 0.127 -2.909 57 2HB LEU 7 HB1 LEU 7 -7.187 0.629 -2.486 58 HG LEU 7 HG LEU 7 -9.130 1.640 -0.576 59 1HD1 LEU 7 HD11 LEU 7 -9.267 -0.890 0.338 60 2HD1 LEU 7 HD12 LEU 7 -9.276 -1.219 -1.394 61 3HD1 LEU 7 HD13 LEU 7 -10.519 -0.187 -0.686 62 1HD2 LEU 7 HD21 LEU 7 -6.512 1.147 -0.547 63 2HD2 LEU 7 HD22 LEU 7 -7.051 -0.424 0.047 64 3HD2 LEU 7 HD23 LEU 7 -7.469 1.044 0.930 65 H GLY 8 HN GLY 8 -9.973 1.010 -4.591 66 1HA GLY 8 HA2 GLY 8 -12.262 0.929 -5.109 67 2HA GLY 8 HA1 GLY 8 -12.574 1.573 -3.497 68 H SER 9 HN SER 9 -12.677 2.284 -6.796 69 HA SER 9 HA SER 9 -12.181 5.122 -6.708 70 1HB SER 9 HB2 SER 9 -13.423 5.141 -8.883 71 2HB SER 9 HB1 SER 9 -12.139 3.937 -8.834 72 HG SER 9 HG SER 9 -13.977 2.950 -9.611 73 H ASP 10 HN ASP 10 -15.326 4.447 -7.958 74 HA ASP 10 HA ASP 10 -16.841 4.929 -5.558 75 1HB ASP 10 HB2 ASP 10 -15.609 7.186 -6.187 76 2HB ASP 10 HB1 ASP 10 -16.904 7.311 -7.378 77 H LYS 11 HN LYS 11 -16.801 3.371 -8.159 78 HA LYS 11 HA LYS 11 -19.617 3.999 -8.922 79 1HB LYS 11 HB2 LYS 11 -17.388 4.351 -10.576 80 2HB LYS 11 HB1 LYS 11 -18.110 2.833 -11.112 81 1HG LYS 11 HG2 LYS 11 -20.336 4.387 -10.757 82 2HG LYS 11 HG1 LYS 11 -19.162 5.585 -11.302 83 1HD LYS 11 HD2 LYS 11 -18.579 3.933 -13.175 84 2HD LYS 11 HD1 LYS 11 -20.046 3.067 -12.720 85 1HE LYS 11 HE2 LYS 11 -20.981 4.488 -14.265 86 2HE LYS 11 HE1 LYS 11 -21.056 5.559 -12.866 87 1HZ LYS 11 HZ1 LYS 11 -19.119 5.553 -15.089 88 2HZ LYS 11 HZ2 LYS 11 -18.708 6.240 -13.590 89 3HZ LYS 11 HZ3 LYS 11 -20.029 6.844 -14.471 90 H GLY 12 HN GLY 12 -17.391 1.678 -7.834 91 1HA GLY 12 HA2 GLY 12 -18.683 -0.409 -7.070 92 2HA GLY 12 HA1 GLY 12 -19.173 -0.535 -8.759 93 H LEU 13 HN LEU 13 -16.061 0.666 -8.712 94 HA LEU 13 HA LEU 13 -14.966 -2.090 -9.099 95 1HB LEU 13 HB2 LEU 13 -14.458 0.527 -10.460 96 2HB LEU 13 HB1 LEU 13 -13.127 -0.626 -10.341 97 HG LEU 13 HG LEU 13 -15.811 -1.601 -11.255 98 1HD1 LEU 13 HD11 LEU 13 -14.724 0.565 -12.508 99 2HD1 LEU 13 HD12 LEU 13 -15.690 -0.661 -13.328 100 3HD1 LEU 13 HD13 LEU 13 -13.929 -0.751 -13.373 101 1HD2 LEU 13 HD21 LEU 13 -13.202 -2.657 -10.945 102 2HD2 LEU 13 HD22 LEU 13 -13.483 -2.541 -12.682 103 3HD2 LEU 13 HD23 LEU 13 -14.599 -3.456 -11.668 104 H LEU 14 HN LEU 14 -13.078 -2.656 -8.016 105 HA LEU 14 HA LEU 14 -12.217 -0.752 -5.894 106 1HB LEU 14 HB2 LEU 14 -11.991 -3.755 -6.176 107 2HB LEU 14 HB1 LEU 14 -11.139 -2.852 -4.924 108 HG LEU 14 HG LEU 14 -14.138 -2.801 -5.360 109 1HD1 LEU 14 HD11 LEU 14 -14.282 -4.603 -4.013 110 2HD1 LEU 14 HD12 LEU 14 -13.214 -3.857 -2.824 111 3HD1 LEU 14 HD13 LEU 14 -12.534 -4.782 -4.163 112 1HD2 LEU 14 HD21 LEU 14 -14.062 -1.688 -3.088 113 2HD2 LEU 14 HD22 LEU 14 -13.368 -0.724 -4.391 114 3HD2 LEU 14 HD23 LEU 14 -12.311 -1.581 -3.269 115 H VAL 15 HN VAL 15 -10.585 0.486 -6.792 116 HA VAL 15 HA VAL 15 -8.157 -0.987 -7.662 117 HB VAL 15 HB VAL 15 -7.864 0.601 -9.569 118 1HG1 VAL 15 1HG1 VAL 15 -10.151 -0.335 -10.727 119 2HG1 VAL 15 2HG1 VAL 15 -10.015 -1.420 -9.344 120 3HG1 VAL 15 3HG1 VAL 15 -8.695 -1.306 -10.506 121 1HG2 VAL 15 1HG2 VAL 15 -9.212 2.394 -9.797 122 2HG2 VAL 15 2HG2 VAL 15 -9.959 1.962 -8.259 123 3HG2 VAL 15 3HG2 VAL 15 -10.649 1.372 -9.771 124 H PHE 16 HN PHE 16 -6.281 0.014 -6.945 125 HA PHE 16 HA PHE 16 -6.397 1.945 -4.880 126 1HB PHE 16 HB2 PHE 16 -4.231 0.856 -6.627 127 2HB PHE 16 HB1 PHE 16 -3.883 2.320 -5.709 128 HD1 PHE 16 HD1 PHE 16 -3.405 2.216 -3.395 129 HD2 PHE 16 HD2 PHE 16 -5.165 -1.169 -5.368 130 HE1 PHE 16 HE1 PHE 16 -3.078 0.853 -1.349 131 HE2 PHE 16 HE2 PHE 16 -4.839 -2.531 -3.322 132 HZ PHE 16 HZ PHE 16 -3.796 -1.520 -1.312 133 H GLU 17 HN GLU 17 -5.967 4.200 -4.869 134 HA GLU 17 HA GLU 17 -5.814 5.560 -7.503 135 1HB GLU 17 HB2 GLU 17 -7.971 5.958 -5.425 136 2HB GLU 17 HB1 GLU 17 -7.600 7.178 -6.643 137 1HG GLU 17 HG2 GLU 17 -7.835 4.555 -7.859 138 2HG GLU 17 HG1 GLU 17 -9.295 4.960 -6.955 139 HA PRO 18 HA PRO 18 -4.580 6.586 -8.345 140 1HB PRO 18 HB2 PRO 18 -1.894 7.064 -8.628 141 2HB PRO 18 HB1 PRO 18 -3.123 8.335 -8.689 142 1HG PRO 18 HG2 PRO 18 -1.190 7.682 -6.518 143 2HG PRO 18 HG1 PRO 18 -1.960 9.229 -6.908 144 1HD PRO 18 HD2 PRO 18 -2.718 7.478 -4.826 145 2HD PRO 18 HD1 PRO 18 -3.668 8.847 -5.438 146 H ALA 19 HN ALA 19 -3.026 5.027 -9.593 147 HA ALA 19 HA ALA 19 -2.839 2.549 -8.110 148 1HB ALA 19 HB1 ALA 19 -2.528 3.432 -10.886 149 2HB ALA 19 HB2 ALA 19 -3.094 1.883 -10.260 150 3HB ALA 19 HB3 ALA 19 -1.365 2.186 -10.433 151 H LYS 20 HN LYS 20 -0.366 4.622 -9.664 152 HA LYS 20 HA LYS 20 1.683 3.340 -7.925 153 1HB LYS 20 HB2 LYS 20 1.944 5.121 -10.368 154 2HB LYS 20 HB1 LYS 20 3.308 4.488 -9.446 155 1HG LYS 20 HG2 LYS 20 3.156 2.472 -10.448 156 2HG LYS 20 HG1 LYS 20 1.421 2.382 -10.141 157 1HD LYS 20 HD2 LYS 20 1.918 4.373 -12.158 158 2HD LYS 20 HD1 LYS 20 2.714 2.868 -12.620 159 1HE LYS 20 HE2 LYS 20 0.731 1.975 -13.191 160 2HE LYS 20 HE1 LYS 20 0.131 2.233 -11.554 161 1HZ LYS 20 HZ1 LYS 20 -1.219 3.750 -12.409 162 2HZ LYS 20 HZ2 LYS 20 -0.469 3.665 -13.931 163 3HZ LYS 20 HZ3 LYS 20 0.137 4.715 -12.741 164 H LEU 21 HN LEU 21 2.760 4.536 -6.366 165 HA LEU 21 HA LEU 21 2.016 7.426 -6.171 166 1HB LEU 21 HB2 LEU 21 0.890 5.858 -4.489 167 2HB LEU 21 HB1 LEU 21 2.495 5.622 -3.793 168 HG LEU 21 HG LEU 21 2.660 8.164 -3.651 169 1HD1 LEU 21 HD11 LEU 21 0.325 8.015 -5.153 170 2HD1 LEU 21 HD12 LEU 21 0.944 9.457 -4.348 171 3HD1 LEU 21 HD13 LEU 21 -0.247 8.438 -3.540 172 1HD2 LEU 21 HD21 LEU 21 1.652 6.290 -1.898 173 2HD2 LEU 21 HD22 LEU 21 0.360 7.490 -1.940 174 3HD2 LEU 21 HD23 LEU 21 1.994 7.971 -1.486 175 H THR 22 HN THR 22 3.854 8.581 -6.539 176 HA THR 22 HA THR 22 6.489 7.431 -5.930 177 HB THR 22 HB THR 22 5.795 10.237 -6.854 178 HG1 THR 22 HG1 THR 22 6.533 7.937 -8.339 179 1HG2 THR 22 1HG2 THR 22 8.328 8.653 -6.558 180 2HG2 THR 22 2HG2 THR 22 8.007 10.331 -6.121 181 3HG2 THR 22 3HG2 THR 22 8.212 9.885 -7.814 182 H ILE 23 HN ILE 23 6.574 7.268 -3.668 183 HA ILE 23 HA ILE 23 6.045 9.711 -2.087 184 HB ILE 23 HB ILE 23 6.381 8.133 -0.128 185 1HG1 ILE 23 2HG1 ILE 23 5.859 5.729 -1.621 186 2HG1 ILE 23 1HG1 ILE 23 7.342 6.466 -2.224 187 1HG2 ILE 23 1HG2 ILE 23 4.210 8.443 -1.937 188 2HG2 ILE 23 2HG2 ILE 23 4.143 8.022 -0.226 189 3HG2 ILE 23 3HG2 ILE 23 4.246 6.750 -1.443 190 1HD1 ILE 23 HD11 ILE 23 6.966 6.318 0.737 191 2HD1 ILE 23 HD12 ILE 23 8.451 6.235 -0.212 192 3HD1 ILE 23 HD13 ILE 23 7.382 4.835 -0.122 193 H LYS 24 HN LYS 24 7.636 9.992 -0.183 194 HA LYS 24 HA LYS 24 10.357 10.057 -1.336 195 1HB LYS 24 HB2 LYS 24 9.661 11.144 1.381 196 2HB LYS 24 HB1 LYS 24 10.835 11.748 0.213 197 1HG LYS 24 HG2 LYS 24 7.834 11.835 -0.191 198 2HG LYS 24 HG1 LYS 24 8.802 13.193 0.381 199 1HD LYS 24 HD2 LYS 24 10.092 12.176 -1.938 200 2HD LYS 24 HD1 LYS 24 8.376 12.316 -2.322 201 1HE LYS 24 HE2 LYS 24 8.335 14.625 -1.866 202 2HE LYS 24 HE1 LYS 24 9.823 14.557 -0.922 203 1HZ LYS 24 HZ1 LYS 24 11.058 14.091 -2.924 204 2HZ LYS 24 HZ2 LYS 24 10.168 15.525 -3.122 205 3HZ LYS 24 HZ3 LYS 24 9.635 14.083 -3.847 206 HA PRO 25 HA PRO 25 11.824 6.802 1.195 207 1HB PRO 25 HB2 PRO 25 14.299 7.717 1.979 208 2HB PRO 25 HB1 PRO 25 13.934 7.146 0.342 209 1HG PRO 25 HG2 PRO 25 14.316 9.938 1.313 210 2HG PRO 25 HG1 PRO 25 14.563 9.270 -0.309 211 1HD PRO 25 HD2 PRO 25 12.334 10.791 0.540 212 2HD PRO 25 HD1 PRO 25 12.445 9.855 -0.965 213 H GLY 26 HN GLY 26 10.158 7.236 2.912 214 1HA GLY 26 HA2 GLY 26 10.550 6.955 5.444 215 2HA GLY 26 HA1 GLY 26 11.344 8.526 5.341 216 H ASP 27 HN ASP 27 8.914 8.685 3.139 217 HA ASP 27 HA ASP 27 7.298 10.386 4.855 218 1HB ASP 27 HB2 ASP 27 7.139 9.469 1.998 219 2HB ASP 27 HB1 ASP 27 5.748 10.258 2.739 220 H THR 28 HN THR 28 4.762 9.961 4.644 221 HA THR 28 HA THR 28 4.329 7.147 5.506 222 HB THR 28 HB THR 28 2.868 9.691 6.261 223 HG1 THR 28 HG1 THR 28 3.772 9.341 8.215 224 1HG2 THR 28 1HG2 THR 28 1.232 7.922 6.059 225 2HG2 THR 28 2HG2 THR 28 1.566 8.159 7.774 226 3HG2 THR 28 3HG2 THR 28 2.281 6.793 6.917 227 H VAL 29 HN VAL 29 2.257 6.181 4.867 228 HA VAL 29 HA VAL 29 1.008 7.485 2.508 229 HB VAL 29 HB VAL 29 1.471 4.505 2.699 230 1HG1 VAL 29 1HG1 VAL 29 1.433 5.425 0.046 231 2HG1 VAL 29 2HG1 VAL 29 0.159 6.331 0.861 232 3HG1 VAL 29 3HG1 VAL 29 0.137 4.568 0.881 233 1HG2 VAL 29 1HG2 VAL 29 3.265 5.275 0.844 234 2HG2 VAL 29 2HG2 VAL 29 3.688 5.115 2.549 235 3HG2 VAL 29 3HG2 VAL 29 3.313 6.703 1.879 236 H GLU 30 HN GLU 30 -1.259 6.984 2.253 237 HA GLU 30 HA GLU 30 -2.457 5.617 4.606 238 1HB GLU 30 HB2 GLU 30 -2.764 8.346 3.748 239 2HB GLU 30 HB1 GLU 30 -4.316 7.513 3.640 240 1HG GLU 30 HG2 GLU 30 -3.468 6.577 6.031 241 2HG GLU 30 HG1 GLU 30 -2.675 8.153 6.032 242 H PHE 31 HN PHE 31 -3.151 3.723 3.718 243 HA PHE 31 HA PHE 31 -4.685 3.857 1.155 244 1HB PHE 31 HB2 PHE 31 -4.178 1.152 2.027 245 2HB PHE 31 HB1 PHE 31 -3.621 1.952 0.560 246 HD1 PHE 31 HD1 PHE 31 -1.360 2.702 0.340 247 HD2 PHE 31 HD2 PHE 31 -2.830 1.398 4.162 248 HE1 PHE 31 HE1 PHE 31 0.946 2.747 1.245 249 HE2 PHE 31 HE2 PHE 31 -0.525 1.445 5.064 250 HZ PHE 31 HZ PHE 31 1.365 2.119 3.607 251 H LEU 32 HN LEU 32 -6.696 4.484 2.099 252 HA LEU 32 HA LEU 32 -7.792 2.804 4.268 253 1HB LEU 32 HB2 LEU 32 -9.585 4.495 4.347 254 2HB LEU 32 HB1 LEU 32 -7.993 5.248 4.456 255 HG LEU 32 HG LEU 32 -8.936 4.917 1.694 256 1HD1 LEU 32 HD11 LEU 32 -10.372 7.158 2.324 257 2HD1 LEU 32 HD12 LEU 32 -10.675 6.152 3.741 258 3HD1 LEU 32 HD13 LEU 32 -11.079 5.554 2.132 259 1HD2 LEU 32 HD21 LEU 32 -8.411 7.531 1.988 260 2HD2 LEU 32 HD22 LEU 32 -7.120 6.338 1.847 261 3HD2 LEU 32 HD23 LEU 32 -7.593 6.942 3.435 262 H ASN 33 HN ASN 33 -10.031 2.011 4.075 263 HA ASN 33 HA ASN 33 -10.440 0.656 1.518 264 1HB ASN 33 HB2 ASN 33 -11.812 -0.757 2.712 265 2HB ASN 33 HB1 ASN 33 -10.894 -0.085 4.054 266 1HD2 ASN 33 HD21 ASN 33 -13.422 -1.129 4.535 267 2HD2 ASN 33 HD22 ASN 33 -14.481 0.127 4.927 268 H ASN 34 HN ASN 34 -12.560 0.792 0.349 269 HA ASN 34 HA ASN 34 -13.596 3.589 0.453 270 1HB ASN 34 HB2 ASN 34 -12.682 2.748 -1.731 271 2HB ASN 34 HB1 ASN 34 -13.965 1.538 -1.751 272 1HD2 ASN 34 HD21 ASN 34 -14.956 2.543 -3.673 273 2HD2 ASN 34 HD22 ASN 34 -15.804 4.007 -3.546 274 H LYS 35 HN LYS 35 -15.121 0.567 -0.671 275 HA LYS 35 HA LYS 35 -17.084 0.632 1.501 276 1HB LYS 35 HB2 LYS 35 -19.020 0.820 -0.115 277 2HB LYS 35 HB1 LYS 35 -18.093 2.308 0.077 278 1HG LYS 35 HG2 LYS 35 -17.514 2.311 -2.099 279 2HG LYS 35 HG1 LYS 35 -16.942 0.646 -2.000 280 1HD LYS 35 HD2 LYS 35 -19.312 -0.130 -2.190 281 2HD LYS 35 HD1 LYS 35 -19.803 1.547 -2.432 282 1HE LYS 35 HE2 LYS 35 -18.376 1.697 -4.427 283 2HE LYS 35 HE1 LYS 35 -17.835 0.037 -4.178 284 1HZ LYS 35 HZ1 LYS 35 -20.667 0.189 -4.167 285 2HZ LYS 35 HZ2 LYS 35 -19.645 -0.726 -5.169 286 3HZ LYS 35 HZ3 LYS 35 -20.048 0.869 -5.592 287 H VAL 36 HN VAL 36 -15.134 -1.226 0.447 288 HA VAL 36 HA VAL 36 -16.904 -3.550 0.109 289 HB VAL 36 HB VAL 36 -14.739 -3.012 -1.943 290 1HG1 VAL 36 1HG1 VAL 36 -15.937 -4.836 -3.155 291 2HG1 VAL 36 2HG1 VAL 36 -16.999 -5.027 -1.760 292 3HG1 VAL 36 3HG1 VAL 36 -15.276 -5.372 -1.610 293 1HG2 VAL 36 1HG2 VAL 36 -17.730 -2.530 -2.060 294 2HG2 VAL 36 2HG2 VAL 36 -16.702 -2.605 -3.491 295 3HG2 VAL 36 3HG2 VAL 36 -16.448 -1.340 -2.288 296 HA PRO 37 HA PRO 37 -12.947 -4.118 2.503 297 1HB PRO 37 HB2 PRO 37 -14.170 -4.528 4.933 298 2HB PRO 37 HB1 PRO 37 -13.659 -2.937 4.350 299 1HG PRO 37 HG2 PRO 37 -16.406 -4.074 4.541 300 2HG PRO 37 HG1 PRO 37 -15.891 -2.380 4.564 301 1HD PRO 37 HD2 PRO 37 -17.012 -3.747 2.353 302 2HD PRO 37 HD1 PRO 37 -16.211 -2.163 2.309 303 HA PRO 38 HA PRO 38 -12.380 -4.940 4.641 304 1HB PRO 38 HB2 PRO 38 -10.676 -6.879 5.537 305 2HB PRO 38 HB1 PRO 38 -12.256 -6.572 6.277 306 1HG PRO 38 HG2 PRO 38 -11.415 -8.853 4.571 307 2HG PRO 38 HG1 PRO 38 -12.746 -8.756 5.734 308 1HD PRO 38 HD2 PRO 38 -12.931 -8.548 2.880 309 2HD PRO 38 HD1 PRO 38 -14.240 -8.318 4.061 310 H HIS 39 HN HIS 39 -10.145 -4.250 4.402 311 HA HIS 39 HA HIS 39 -8.815 -5.320 1.942 312 1HB HIS 39 HB2 HIS 39 -8.894 -2.491 3.031 313 2HB HIS 39 HB1 HIS 39 -7.821 -3.007 1.728 314 HD2 HIS 39 HD2 HIS 39 -11.714 -2.668 2.358 315 HE1 HIS 39 HE1 HIS 39 -11.054 -2.973 -1.794 316 HE2 HIS 39 HE2 HIS 39 -12.810 -2.730 0.004 317 H ASN 40 HN ASN 40 -6.970 -6.370 2.440 318 HA ASN 40 HA ASN 40 -5.565 -5.671 4.971 319 1HB ASN 40 HB2 ASN 40 -6.092 -8.041 4.702 320 2HB ASN 40 HB1 ASN 40 -5.306 -8.064 3.123 321 1HD2 ASN 40 HD21 ASN 40 -4.729 -9.128 6.133 322 2HD2 ASN 40 HD22 ASN 40 -3.050 -8.900 6.239 323 H VAL 41 HN VAL 41 -3.713 -4.480 4.833 324 HA VAL 41 HA VAL 41 -2.499 -4.155 2.128 325 HB VAL 41 HB VAL 41 -2.330 -2.439 4.622 326 1HG1 VAL 41 1HG1 VAL 41 -0.841 -2.391 2.012 327 2HG1 VAL 41 2HG1 VAL 41 -0.236 -2.103 3.643 328 3HG1 VAL 41 3HG1 VAL 41 -1.206 -0.873 2.834 329 1HG2 VAL 41 1HG2 VAL 41 -4.423 -2.076 3.563 330 2HG2 VAL 41 2HG2 VAL 41 -3.722 -2.208 1.950 331 3HG2 VAL 41 3HG2 VAL 41 -3.389 -0.788 2.942 332 H VAL 42 HN VAL 42 -0.486 -4.920 1.748 333 HA VAL 42 HA VAL 42 1.412 -5.333 3.960 334 HB VAL 42 HB VAL 42 1.735 -7.757 2.816 335 1HG1 VAL 42 1HG1 VAL 42 -0.370 -8.083 4.720 336 2HG1 VAL 42 2HG1 VAL 42 0.606 -6.703 5.223 337 3HG1 VAL 42 3HG1 VAL 42 1.365 -8.275 4.973 338 1HG2 VAL 42 1HG2 VAL 42 -0.133 -7.559 1.276 339 2HG2 VAL 42 2HG2 VAL 42 -1.216 -7.093 2.587 340 3HG2 VAL 42 3HG2 VAL 42 -0.566 -8.732 2.520 341 H PHE 43 HN PHE 43 3.550 -6.260 2.932 342 HA PHE 43 HA PHE 43 3.821 -5.110 0.184 343 1HB PHE 43 HB2 PHE 43 6.003 -5.056 2.279 344 2HB PHE 43 HB1 PHE 43 5.924 -4.150 0.766 345 HD1 PHE 43 HD1 PHE 43 5.047 -1.972 0.766 346 HD2 PHE 43 HD2 PHE 43 4.090 -4.652 3.982 347 HE1 PHE 43 HE1 PHE 43 3.893 -0.131 1.961 348 HE2 PHE 43 HE2 PHE 43 2.937 -2.812 5.168 349 HZ PHE 43 HZ PHE 43 2.848 -0.553 4.167 350 H ASP 44 HN ASP 44 4.113 -6.835 -1.136 351 HA ASP 44 HA ASP 44 4.931 -9.416 -0.492 352 1HB ASP 44 HB2 ASP 44 4.122 -8.529 -2.752 353 2HB ASP 44 HB1 ASP 44 5.792 -8.043 -3.045 354 H ALA 45 HN ALA 45 6.851 -10.321 0.129 355 HA ALA 45 HA ALA 45 9.184 -8.557 0.398 356 1HB ALA 45 HB1 ALA 45 9.380 -11.415 1.166 357 2HB ALA 45 HB2 ALA 45 8.185 -10.458 2.043 358 3HB ALA 45 HB3 ALA 45 9.881 -9.975 2.053 359 H ALA 46 HN ALA 46 8.154 -9.868 -2.236 360 HA ALA 46 HA ALA 46 10.796 -11.056 -2.991 361 1HB ALA 46 HB1 ALA 46 8.161 -11.663 -4.348 362 2HB ALA 46 HB2 ALA 46 8.784 -12.629 -3.010 363 3HB ALA 46 HB3 ALA 46 9.691 -12.525 -4.519 364 H LEU 47 HN LEU 47 9.221 -8.276 -3.200 365 HA LEU 47 HA LEU 47 10.174 -7.776 -5.988 366 1HB LEU 47 HB2 LEU 47 7.623 -6.769 -4.695 367 2HB LEU 47 HB1 LEU 47 8.260 -6.163 -6.224 368 HG LEU 47 HG LEU 47 8.084 -9.101 -6.072 369 1HD1 LEU 47 HD11 LEU 47 5.978 -9.212 -5.271 370 2HD1 LEU 47 HD12 LEU 47 5.462 -8.381 -6.739 371 3HD1 LEU 47 HD13 LEU 47 5.818 -7.455 -5.280 372 1HD2 LEU 47 HD21 LEU 47 7.012 -8.671 -8.325 373 2HD2 LEU 47 HD22 LEU 47 8.636 -8.004 -8.152 374 3HD2 LEU 47 HD23 LEU 47 7.230 -6.947 -8.027 375 H ASN 48 HN ASN 48 11.992 -7.229 -4.200 376 HA ASN 48 HA ASN 48 11.681 -4.318 -3.578 377 1HB ASN 48 HB2 ASN 48 13.563 -4.959 -1.827 378 2HB ASN 48 HB1 ASN 48 11.861 -5.224 -1.449 379 1HD2 ASN 48 HD21 ASN 48 12.722 -6.996 0.026 380 2HD2 ASN 48 HD22 ASN 48 13.078 -8.510 -0.654 381 HA PRO 49 HA PRO 49 15.310 -3.617 -5.927 382 1HB PRO 49 HB2 PRO 49 16.441 -1.542 -4.522 383 2HB PRO 49 HB1 PRO 49 15.003 -1.367 -5.544 384 1HG PRO 49 HG2 PRO 49 15.195 -1.441 -2.567 385 2HG PRO 49 HG1 PRO 49 13.978 -0.665 -3.594 386 1HD PRO 49 HD2 PRO 49 13.659 -3.117 -2.224 387 2HD PRO 49 HD1 PRO 49 12.608 -2.501 -3.517 388 H ALA 50 HN ALA 50 16.013 -3.600 -2.407 389 HA ALA 50 HA ALA 50 18.581 -4.997 -3.044 390 1HB ALA 50 HB1 ALA 50 19.454 -4.058 -0.943 391 2HB ALA 50 HB2 ALA 50 17.902 -3.279 -0.639 392 3HB ALA 50 HB3 ALA 50 18.890 -2.773 -2.009 393 H LYS 51 HN LYS 51 16.072 -6.363 -2.763 394 HA LYS 51 HA LYS 51 14.976 -7.987 -1.429 395 1HB LYS 51 HB2 LYS 51 16.697 -9.746 -0.697 396 2HB LYS 51 HB1 LYS 51 16.611 -9.367 -2.417 397 1HG LYS 51 HG2 LYS 51 18.486 -7.770 -2.140 398 2HG LYS 51 HG1 LYS 51 18.597 -8.219 -0.438 399 1HD LYS 51 HD2 LYS 51 19.281 -10.428 -0.955 400 2HD LYS 51 HD1 LYS 51 18.767 -10.277 -2.638 401 1HE LYS 51 HE2 LYS 51 20.658 -8.197 -1.940 402 2HE LYS 51 HE1 LYS 51 21.334 -9.796 -1.630 403 1HZ LYS 51 HZ1 LYS 51 21.792 -9.234 -3.878 404 2HZ LYS 51 HZ2 LYS 51 20.177 -8.794 -4.169 405 3HZ LYS 51 HZ3 LYS 51 20.581 -10.421 -3.899 406 H SER 52 HN SER 52 15.140 -5.718 0.144 407 HA SER 52 HA SER 52 16.257 -6.640 2.744 408 1HB SER 52 HB2 SER 52 15.297 -3.954 1.744 409 2HB SER 52 HB1 SER 52 15.619 -4.257 3.449 410 HG SER 52 HG SER 52 17.527 -3.567 2.663 411 H ALA 53 HN ALA 53 14.633 -8.191 3.266 412 HA ALA 53 HA ALA 53 11.811 -7.478 3.250 413 1HB ALA 53 HB1 ALA 53 13.114 -9.746 4.775 414 2HB ALA 53 HB2 ALA 53 12.744 -9.836 3.053 415 3HB ALA 53 HB3 ALA 53 11.442 -9.640 4.226 416 H ASP 54 HN ASP 54 14.443 -7.030 5.438 417 HA ASP 54 HA ASP 54 13.126 -6.995 7.939 418 1HB ASP 54 HB2 ASP 54 15.590 -5.879 6.807 419 2HB ASP 54 HB1 ASP 54 14.911 -4.880 8.092 420 H LEU 55 HN LEU 55 12.960 -4.761 5.265 421 HA LEU 55 HA LEU 55 11.836 -2.560 6.802 422 1HB LEU 55 HB2 LEU 55 11.615 -1.441 4.734 423 2HB LEU 55 HB1 LEU 55 13.037 -2.459 4.507 424 HG LEU 55 HG LEU 55 11.121 -4.190 3.709 425 1HD1 LEU 55 HD11 LEU 55 9.146 -3.067 3.602 426 2HD1 LEU 55 HD12 LEU 55 9.809 -2.372 2.123 427 3HD1 LEU 55 HD13 LEU 55 9.935 -1.490 3.645 428 1HD2 LEU 55 HD21 LEU 55 13.184 -3.361 2.487 429 2HD2 LEU 55 HD22 LEU 55 12.210 -2.014 1.899 430 3HD2 LEU 55 HD23 LEU 55 11.790 -3.667 1.450 431 H ALA 56 HN ALA 56 10.576 -5.416 5.249 432 HA ALA 56 HA ALA 56 7.831 -4.489 5.094 433 1HB ALA 56 HB1 ALA 56 9.010 -7.282 5.071 434 2HB ALA 56 HB2 ALA 56 8.576 -6.313 3.662 435 3HB ALA 56 HB3 ALA 56 7.318 -6.910 4.744 436 H LYS 57 HN LYS 57 9.480 -6.792 7.292 437 HA LYS 57 HA LYS 57 7.429 -7.395 9.040 438 1HB LYS 57 HB2 LYS 57 10.360 -7.059 9.341 439 2HB LYS 57 HB1 LYS 57 9.431 -7.014 10.839 440 1HG LYS 57 HG2 LYS 57 8.694 -9.158 8.922 441 2HG LYS 57 HG1 LYS 57 10.272 -9.321 9.693 442 1HD LYS 57 HD2 LYS 57 9.372 -9.668 11.768 443 2HD LYS 57 HD1 LYS 57 8.033 -8.556 11.483 444 1HE LYS 57 HE2 LYS 57 6.732 -10.172 10.434 445 2HE LYS 57 HE1 LYS 57 8.131 -11.124 9.939 446 1HZ LYS 57 HZ1 LYS 57 6.804 -12.102 11.785 447 2HZ LYS 57 HZ2 LYS 57 7.286 -10.799 12.763 448 3HZ LYS 57 HZ3 LYS 57 8.446 -11.879 12.149 449 H SER 58 HN SER 58 8.990 -4.287 8.638 450 HA SER 58 HA SER 58 7.403 -3.246 10.947 451 1HB SER 58 HB2 SER 58 10.019 -2.452 9.731 452 2HB SER 58 HB1 SER 58 9.031 -1.202 10.483 453 HG SER 58 HG SER 58 10.570 -3.053 11.640 454 H LEU 59 HN LEU 59 6.593 -3.732 8.029 455 HA LEU 59 HA LEU 59 5.582 -0.956 7.559 456 1HB LEU 59 HB2 LEU 59 7.389 -2.059 5.909 457 2HB LEU 59 HB1 LEU 59 5.938 -2.784 5.228 458 HG LEU 59 HG LEU 59 4.931 -0.492 5.091 459 1HD1 LEU 59 HD11 LEU 59 6.046 1.389 5.779 460 2HD1 LEU 59 HD12 LEU 59 7.626 0.727 5.363 461 3HD1 LEU 59 HD13 LEU 59 6.835 0.243 6.863 462 1HD2 LEU 59 HD21 LEU 59 7.585 -0.542 3.656 463 2HD2 LEU 59 HD22 LEU 59 6.033 0.054 3.068 464 3HD2 LEU 59 HD23 LEU 59 6.304 -1.680 3.241 465 H SER 60 HN SER 60 5.045 -4.441 7.218 466 HA SER 60 HA SER 60 2.299 -4.123 6.291 467 1HB SER 60 HB2 SER 60 2.622 -6.696 7.398 468 2HB SER 60 HB1 SER 60 2.711 -6.254 5.696 469 HG SER 60 HG SER 60 4.864 -6.157 5.823 470 H HIS 61 HN HIS 61 0.429 -4.254 7.513 471 HA HIS 61 HA HIS 61 0.800 -3.966 10.451 472 1HB HIS 61 HB2 HIS 61 -1.517 -3.075 10.412 473 2HB HIS 61 HB1 HIS 61 -0.457 -2.186 9.317 474 HD1 HIS 61 HD1 HIS 61 -2.867 -5.151 9.147 475 HD2 HIS 61 HD2 HIS 61 -1.465 -2.034 6.750 476 HE1 HIS 61 HE1 HIS 61 -4.146 -5.287 6.959 477 H LYS 62 HN LYS 62 -0.505 -6.121 8.051 478 HA LYS 62 HA LYS 62 -1.365 -8.296 8.313 479 1HB LYS 62 HB2 LYS 62 0.021 -7.758 10.784 480 2HB LYS 62 HB1 LYS 62 -1.464 -8.647 11.125 481 1HG LYS 62 HG2 LYS 62 0.227 -9.556 8.831 482 2HG LYS 62 HG1 LYS 62 0.771 -9.930 10.467 483 1HD LYS 62 HD2 LYS 62 -1.691 -10.738 10.829 484 2HD LYS 62 HD1 LYS 62 -1.744 -10.809 9.067 485 1HE LYS 62 HE2 LYS 62 0.700 -11.998 10.129 486 2HE LYS 62 HE1 LYS 62 -0.745 -12.792 10.755 487 1HZ LYS 62 HZ1 LYS 62 -0.390 -13.896 8.786 488 2HZ LYS 62 HZ2 LYS 62 0.161 -12.512 7.969 489 3HZ LYS 62 HZ3 LYS 62 -1.494 -12.703 8.299 490 H GLN 63 HN GLN 63 -2.433 -6.531 11.247 491 HA GLN 63 HA GLN 63 -5.034 -7.485 11.400 492 1HB GLN 63 HB2 GLN 63 -3.622 -5.132 12.339 493 2HB GLN 63 HB1 GLN 63 -5.286 -4.729 11.913 494 1HG GLN 63 HG2 GLN 63 -5.646 -5.467 14.065 495 2HG GLN 63 HG1 GLN 63 -5.765 -7.013 13.224 496 1HE2 GLN 63 1HE2 GLN 63 -4.545 -8.604 14.238 497 2HE2 GLN 63 2HE2 GLN 63 -3.078 -8.343 15.051 498 H LEU 64 HN LEU 64 -6.765 -7.410 10.056 499 HA LEU 64 HA LEU 64 -6.619 -6.113 7.490 500 1HB LEU 64 HB2 LEU 64 -8.912 -7.377 9.013 501 2HB LEU 64 HB1 LEU 64 -9.076 -6.748 7.373 502 HG LEU 64 HG LEU 64 -6.877 -8.260 7.025 503 1HD1 LEU 64 HD11 LEU 64 -7.573 -10.462 8.299 504 2HD1 LEU 64 HD12 LEU 64 -8.322 -9.333 9.428 505 3HD1 LEU 64 HD13 LEU 64 -6.588 -9.249 9.116 506 1HD2 LEU 64 HD21 LEU 64 -9.392 -8.306 6.091 507 2HD2 LEU 64 HD22 LEU 64 -9.451 -9.772 7.070 508 3HD2 LEU 64 HD23 LEU 64 -8.260 -9.622 5.777 509 H LEU 65 HN LEU 65 -8.452 -4.578 6.778 510 HA LEU 65 HA LEU 65 -8.851 -2.509 8.905 511 1HB LEU 65 HB2 LEU 65 -8.788 -2.016 5.918 512 2HB LEU 65 HB1 LEU 65 -8.710 -0.818 7.210 513 HG LEU 65 HG LEU 65 -6.624 -2.968 7.106 514 1HD1 LEU 65 HD11 LEU 65 -6.820 -0.551 5.300 515 2HD1 LEU 65 HD12 LEU 65 -6.506 -2.226 4.847 516 3HD1 LEU 65 HD13 LEU 65 -5.271 -1.296 5.695 517 1HD2 LEU 65 HD21 LEU 65 -7.137 -0.493 8.509 518 2HD2 LEU 65 HD22 LEU 65 -5.597 -0.390 7.657 519 3HD2 LEU 65 HD23 LEU 65 -5.881 -1.693 8.811 520 H MET 66 HN MET 66 -10.927 -3.008 9.592 521 HA MET 66 HA MET 66 -13.011 -3.498 7.537 522 1HB MET 66 HB2 MET 66 -13.073 -3.710 10.562 523 2HB MET 66 HB1 MET 66 -14.438 -4.072 9.504 524 1HG MET 66 HG2 MET 66 -13.130 -5.821 8.382 525 2HG MET 66 HG1 MET 66 -11.735 -5.442 9.391 526 1HE MET 66 HE1 MET 66 -11.319 -7.688 10.655 527 2HE MET 66 HE2 MET 66 -12.283 -8.154 9.256 528 3HE MET 66 HE3 MET 66 -12.657 -8.829 10.839 529 H SER 67 HN SER 67 -11.665 -0.845 8.902 530 HA SER 67 HA SER 67 -14.098 0.607 9.619 531 1HB SER 67 HB2 SER 67 -11.800 1.083 10.583 532 2HB SER 67 HB1 SER 67 -11.360 1.759 9.018 533 HG SER 67 HG SER 67 -12.633 2.943 10.997 534 HA PRO 68 HA PRO 68 -15.034 1.803 5.469 535 1HB PRO 68 HB2 PRO 68 -16.925 3.694 6.099 536 2HB PRO 68 HB1 PRO 68 -17.224 1.948 6.157 537 1HG PRO 68 HG2 PRO 68 -16.828 3.859 8.410 538 2HG PRO 68 HG1 PRO 68 -17.695 2.314 8.387 539 1HD PRO 68 HD2 PRO 68 -15.094 2.755 9.433 540 2HD PRO 68 HD1 PRO 68 -15.854 1.176 9.137 541 H GLY 69 HN GLY 69 -12.954 2.850 5.005 542 1HA GLY 69 HA2 GLY 69 -11.979 4.820 4.065 543 2HA GLY 69 HA1 GLY 69 -13.220 5.790 4.859 544 H GLN 70 HN GLN 70 -10.878 3.424 6.138 545 HA GLN 70 HA GLN 70 -9.221 5.401 7.407 546 1HB GLN 70 HB2 GLN 70 -11.659 4.936 8.728 547 2HB GLN 70 HB1 GLN 70 -10.462 4.009 9.632 548 1HG GLN 70 HG2 GLN 70 -9.346 5.877 10.332 549 2HG GLN 70 HG1 GLN 70 -9.633 6.739 8.821 550 1HE2 GLN 70 1HE2 GLN 70 -10.543 6.652 12.074 551 2HE2 GLN 70 2HE2 GLN 70 -12.003 7.509 11.952 552 H SER 71 HN SER 71 -7.583 4.022 6.598 553 HA SER 71 HA SER 71 -7.523 1.246 7.647 554 1HB SER 71 HB2 SER 71 -5.664 0.924 6.058 555 2HB SER 71 HB1 SER 71 -7.092 1.543 5.249 556 HG SER 71 HG SER 71 -4.735 2.906 6.009 557 H THR 72 HN THR 72 -4.444 1.501 7.256 558 HA THR 72 HA THR 72 -3.880 2.980 9.787 559 HB THR 72 HB THR 72 -3.727 0.520 10.114 560 HG1 THR 72 HG1 THR 72 -1.392 0.576 10.661 561 1HG2 THR 72 1HG2 THR 72 -1.319 0.273 8.431 562 2HG2 THR 72 2HG2 THR 72 -2.824 0.468 7.532 563 3HG2 THR 72 3HG2 THR 72 -2.645 -0.864 8.675 564 H SER 73 HN SER 73 -2.373 4.578 9.498 565 HA SER 73 HA SER 73 -1.149 4.905 6.865 566 1HB SER 73 HB2 SER 73 -0.489 7.036 7.606 567 2HB SER 73 HB1 SER 73 -1.983 6.756 8.496 568 HG SER 73 HG SER 73 0.137 7.444 9.609 569 H THR 74 HN THR 74 0.368 3.272 6.551 570 HA THR 74 HA THR 74 2.275 2.484 8.573 571 HB THR 74 HB THR 74 2.838 2.137 5.648 572 HG1 THR 74 HG1 THR 74 1.339 0.174 6.178 573 1HG2 THR 74 1HG2 THR 74 4.267 1.226 7.544 574 2HG2 THR 74 2HG2 THR 74 3.710 0.031 6.374 575 3HG2 THR 74 3HG2 THR 74 2.915 0.165 7.941 576 H THR 75 HN THR 75 3.823 3.856 9.287 577 HA THR 75 HA THR 75 4.752 6.090 7.652 578 HB THR 75 HB THR 75 5.820 5.065 10.302 579 HG1 THR 75 HG1 THR 75 4.192 7.301 10.124 580 1HG2 THR 75 1HG2 THR 75 7.310 6.737 10.147 581 2HG2 THR 75 2HG2 THR 75 6.006 7.901 9.908 582 3HG2 THR 75 3HG2 THR 75 6.726 7.085 8.520 583 H PHE 76 HN PHE 76 5.735 5.013 5.848 584 HA PHE 76 HA PHE 76 7.531 2.916 5.793 585 1HB PHE 76 HB2 PHE 76 7.361 5.471 4.232 586 2HB PHE 76 HB1 PHE 76 8.761 4.426 3.993 587 HD1 PHE 76 HD1 PHE 76 5.011 4.164 4.260 588 HD2 PHE 76 HD2 PHE 76 8.611 2.746 2.388 589 HE1 PHE 76 HE1 PHE 76 3.671 2.682 2.789 590 HE2 PHE 76 HE2 PHE 76 7.268 1.267 0.922 591 HZ PHE 76 HZ PHE 76 4.800 1.241 1.120 592 HA PRO 77 HA PRO 77 11.062 4.123 8.085 593 1HB PRO 77 HB2 PRO 77 13.044 2.851 6.672 594 2HB PRO 77 HB1 PRO 77 11.910 2.027 7.749 595 1HG PRO 77 HG2 PRO 77 11.967 2.079 4.767 596 2HG PRO 77 HG1 PRO 77 11.312 0.840 5.852 597 1HD PRO 77 HD2 PRO 77 9.794 2.769 4.448 598 2HD PRO 77 HD1 PRO 77 9.214 1.766 5.795 599 H ALA 78 HN ALA 78 12.821 5.562 8.108 600 HA ALA 78 HA ALA 78 12.844 7.593 6.051 601 1HB ALA 78 HB1 ALA 78 14.859 7.108 8.268 602 2HB ALA 78 HB2 ALA 78 13.380 8.050 8.445 603 3HB ALA 78 HB3 ALA 78 14.652 8.603 7.357 604 H ASP 79 HN ASP 79 14.316 4.552 6.293 605 HA ASP 79 HA ASP 79 16.556 5.334 4.499 606 1HB ASP 79 HB2 ASP 79 16.013 3.028 6.321 607 2HB ASP 79 HB1 ASP 79 17.009 2.730 4.897 608 H ALA 80 HN ALA 80 13.508 4.887 3.945 609 HA ALA 80 HA ALA 80 12.892 2.700 2.417 610 1HB ALA 80 HB1 ALA 80 11.981 5.376 2.543 611 2HB ALA 80 HB2 ALA 80 11.158 3.994 1.821 612 3HB ALA 80 HB3 ALA 80 12.215 5.004 0.835 613 HA PRO 81 HA PRO 81 16.373 2.842 -0.429 614 1HB PRO 81 HB2 PRO 81 16.027 0.254 -1.299 615 2HB PRO 81 HB1 PRO 81 16.891 0.685 0.187 616 1HG PRO 81 HG2 PRO 81 14.154 -0.467 -0.130 617 2HG PRO 81 HG1 PRO 81 15.292 -0.632 1.218 618 1HD PRO 81 HD2 PRO 81 13.054 1.076 1.176 619 2HD PRO 81 HD1 PRO 81 14.414 1.183 2.314 620 H ALA 82 HN ALA 82 16.078 3.828 -2.376 621 HA ALA 82 HA ALA 82 13.740 4.145 -3.808 622 1HB ALA 82 HB1 ALA 82 15.953 3.723 -5.651 623 2HB ALA 82 HB2 ALA 82 16.447 4.692 -4.263 624 3HB ALA 82 HB3 ALA 82 15.094 5.215 -5.265 625 H GLY 83 HN GLY 83 12.514 2.900 -5.194 626 1HA GLY 83 HA2 GLY 83 13.264 0.774 -6.803 627 2HA GLY 83 HA1 GLY 83 12.997 0.034 -5.224 628 H GLU 84 HN GLU 84 11.240 -1.078 -6.538 629 HA GLU 84 HA GLU 84 8.777 0.623 -6.560 630 1HB GLU 84 HB2 GLU 84 9.617 -1.645 -8.378 631 2HB GLU 84 HB1 GLU 84 7.950 -1.076 -8.283 632 1HG GLU 84 HG2 GLU 84 9.460 1.262 -8.535 633 2HG GLU 84 HG1 GLU 84 10.229 0.125 -9.642 634 H TYR 85 HN TYR 85 7.508 0.056 -4.873 635 HA TYR 85 HA TYR 85 7.702 -2.685 -3.761 636 1HB TYR 85 HB2 TYR 85 6.195 -0.243 -2.770 637 2HB TYR 85 HB1 TYR 85 6.348 -1.773 -1.906 638 HD1 TYR 85 HD1 TYR 85 8.146 -2.110 -0.450 639 HD2 TYR 85 HD2 TYR 85 8.435 0.909 -3.492 640 HE1 TYR 85 HE1 TYR 85 10.321 -1.373 0.487 641 HE2 TYR 85 HE2 TYR 85 10.609 1.646 -2.555 642 HH TYR 85 HH TYR 85 12.002 1.472 -0.792 643 H THR 86 HN THR 86 5.566 -3.769 -3.200 644 HA THR 86 HA THR 86 3.352 -2.972 -5.002 645 HB THR 86 HB THR 86 3.991 -5.871 -5.004 646 HG1 THR 86 HG1 THR 86 5.402 -4.079 -6.671 647 1HG2 THR 86 1HG2 THR 86 2.475 -3.935 -6.509 648 2HG2 THR 86 2HG2 THR 86 2.424 -5.696 -6.604 649 3HG2 THR 86 3HG2 THR 86 3.581 -4.792 -7.582 650 H PHE 87 HN PHE 87 1.975 -2.582 -3.277 651 HA PHE 87 HA PHE 87 1.564 -4.786 -1.351 652 1HB PHE 87 HB2 PHE 87 0.002 -2.876 -0.329 653 2HB PHE 87 HB1 PHE 87 1.731 -2.940 0.006 654 HD1 PHE 87 HD1 PHE 87 -0.946 -1.147 -1.687 655 HD2 PHE 87 HD2 PHE 87 3.309 -1.526 -1.290 656 HE1 PHE 87 HE1 PHE 87 -0.649 1.049 -2.783 657 HE2 PHE 87 HE2 PHE 87 3.612 0.669 -2.382 658 HZ PHE 87 HZ PHE 87 1.632 1.968 -3.133 659 H TYR 88 HN TYR 88 -0.695 -5.421 -0.886 660 HA TYR 88 HA TYR 88 -2.770 -4.578 -2.760 661 1HB TYR 88 HB2 TYR 88 -3.075 -6.785 -3.793 662 2HB TYR 88 HB1 TYR 88 -1.443 -6.197 -4.106 663 HD1 TYR 88 HD1 TYR 88 -3.291 -8.979 -3.005 664 HD2 TYR 88 HD2 TYR 88 0.315 -6.795 -2.185 665 HE1 TYR 88 HE1 TYR 88 -2.339 -10.971 -1.878 666 HE2 TYR 88 HE2 TYR 88 1.268 -8.785 -1.059 667 HH TYR 88 HH TYR 88 -0.375 -11.216 0.081 668 H CYS 89 HN CYS 89 -4.172 -7.198 -2.387 669 HA CYS 89 HA CYS 89 -4.654 -7.095 0.558 670 1HB CYS 89 HB2 CYS 89 -6.788 -7.219 -1.593 671 2HB CYS 89 HB1 CYS 89 -7.071 -7.259 0.145 672 H GLU 90 HN GLU 90 -5.745 -9.077 1.356 673 HA GLU 90 HA GLU 90 -4.659 -11.444 0.044 674 1HB GLU 90 HB2 GLU 90 -4.577 -11.664 2.362 675 2HB GLU 90 HB1 GLU 90 -6.149 -10.911 2.598 676 1HG GLU 90 HG2 GLU 90 -7.266 -12.895 1.684 677 2HG GLU 90 HG1 GLU 90 -5.702 -13.643 1.357 678 HA PRO 91 HA PRO 91 -9.306 -12.255 -0.751 679 1HB PRO 91 HB2 PRO 91 -11.056 -10.188 -0.298 680 2HB PRO 91 HB1 PRO 91 -10.637 -11.402 0.924 681 1HG PRO 91 HG2 PRO 91 -9.768 -8.558 0.729 682 2HG PRO 91 HG1 PRO 91 -9.901 -9.595 2.159 683 1HD PRO 91 HD2 PRO 91 -7.510 -8.936 0.791 684 2HD PRO 91 HD1 PRO 91 -7.698 -10.195 2.026 685 H HIS 92 HN HIS 92 -9.299 -8.684 -1.210 686 HA HIS 92 HA HIS 92 -10.257 -8.732 -3.869 687 1HB HIS 92 HB2 HIS 92 -8.256 -6.683 -2.893 688 2HB HIS 92 HB1 HIS 92 -9.567 -6.459 -4.048 689 HD2 HIS 92 HD2 HIS 92 -12.224 -7.151 -2.539 690 HE1 HIS 92 HE1 HIS 92 -10.740 -5.144 0.848 691 HE2 HIS 92 HE2 HIS 92 -12.807 -6.104 -0.238 692 H ARG 93 HN ARG 93 -9.136 -10.475 -4.950 693 HA ARG 93 HA ARG 93 -6.383 -9.708 -5.827 694 1HB ARG 93 HB2 ARG 93 -7.232 -12.102 -4.419 695 2HB ARG 93 HB1 ARG 93 -6.535 -12.508 -5.987 696 1HG ARG 93 HG2 ARG 93 -4.639 -10.868 -5.348 697 2HG ARG 93 HG1 ARG 93 -5.263 -11.003 -3.704 698 1HD ARG 93 HD2 ARG 93 -3.972 -13.096 -5.418 699 2HD ARG 93 HD1 ARG 93 -3.707 -12.729 -3.714 700 HE ARG 93 HE ARG 93 -6.031 -13.750 -3.350 701 1HH1 ARG 93 HH11 ARG 93 -5.490 -14.094 -6.571 702 2HH1 ARG 93 HH12 ARG 93 -5.540 -15.825 -6.611 703 1HH2 ARG 93 HH21 ARG 93 -5.475 -16.169 -3.160 704 2HH2 ARG 93 HH22 ARG 93 -5.534 -17.000 -4.679 705 H GLY 94 HN GLY 94 -8.995 -9.263 -7.104 706 1HA GLY 94 HA2 GLY 94 -8.361 -10.561 -9.681 707 2HA GLY 94 HA1 GLY 94 -9.965 -10.882 -9.019 708 H ALA 95 HN ALA 95 -8.664 -7.807 -8.234 709 HA ALA 95 HA ALA 95 -10.063 -6.528 -10.529 710 1HB ALA 95 HB1 ALA 95 -10.851 -6.441 -7.694 711 2HB ALA 95 HB2 ALA 95 -11.793 -6.057 -9.134 712 3HB ALA 95 HB3 ALA 95 -10.706 -4.852 -8.445 713 H GLY 96 HN GLY 96 -7.254 -6.846 -10.021 714 1HA GLY 96 HA2 GLY 96 -5.279 -5.581 -9.908 715 2HA GLY 96 HA1 GLY 96 -6.267 -4.282 -10.577 716 H MET 97 HN MET 97 -6.180 -5.939 -7.396 717 HA MET 97 HA MET 97 -6.301 -3.242 -6.134 718 1HB MET 97 HB2 MET 97 -7.050 -6.013 -5.228 719 2HB MET 97 HB1 MET 97 -6.736 -4.749 -4.038 720 1HG MET 97 HG2 MET 97 -8.398 -3.643 -6.084 721 2HG MET 97 HG1 MET 97 -9.109 -5.171 -5.571 722 1HE MET 97 HE1 MET 97 -9.704 -1.288 -3.902 723 2HE MET 97 HE2 MET 97 -8.947 -1.826 -5.399 724 3HE MET 97 HE3 MET 97 -7.946 -1.463 -3.994 725 H VAL 98 HN VAL 98 -3.846 -3.543 -7.069 726 HA VAL 98 HA VAL 98 -2.244 -4.242 -4.654 727 HB VAL 98 HB VAL 98 -1.903 -6.114 -6.123 728 1HG1 VAL 98 1HG1 VAL 98 -0.822 -4.794 -8.451 729 2HG1 VAL 98 2HG1 VAL 98 -2.456 -4.209 -8.138 730 3HG1 VAL 98 3HG1 VAL 98 -2.163 -5.936 -8.350 731 1HG2 VAL 98 1HG2 VAL 98 0.515 -4.908 -7.088 732 2HG2 VAL 98 2HG2 VAL 98 0.310 -6.003 -5.720 733 3HG2 VAL 98 3HG2 VAL 98 0.169 -4.260 -5.484 734 H GLY 99 HN GLY 99 -1.936 -2.045 -4.147 735 1HA GLY 99 HA2 GLY 99 -1.191 -0.069 -6.113 736 2HA GLY 99 HA1 GLY 99 -1.087 0.135 -4.366 737 H LYS 100 HN LYS 100 0.975 1.245 -5.525 738 HA LYS 100 HA LYS 100 3.230 -0.526 -4.854 739 1HB LYS 100 HB2 LYS 100 2.824 0.628 -7.627 740 2HB LYS 100 HB1 LYS 100 4.374 0.022 -7.046 741 1HG LYS 100 HG2 LYS 100 3.419 -2.191 -6.679 742 2HG LYS 100 HG1 LYS 100 1.818 -1.605 -7.133 743 1HD LYS 100 HD2 LYS 100 4.179 -1.398 -9.003 744 2HD LYS 100 HD1 LYS 100 3.156 -2.834 -8.950 745 1HE LYS 100 HE2 LYS 100 1.822 -0.168 -9.167 746 2HE LYS 100 HE1 LYS 100 2.608 -0.823 -10.604 747 1HZ LYS 100 HZ1 LYS 100 0.533 -1.735 -10.773 748 2HZ LYS 100 HZ2 LYS 100 0.320 -1.872 -9.092 749 3HZ LYS 100 HZ3 LYS 100 1.329 -2.963 -9.916 750 H ILE 101 HN ILE 101 4.792 0.698 -3.854 751 HA ILE 101 HA ILE 101 4.497 3.651 -4.010 752 HB ILE 101 HB ILE 101 5.352 1.756 -1.940 753 1HG1 ILE 101 2HG1 ILE 101 4.376 4.610 -2.093 754 2HG1 ILE 101 1HG1 ILE 101 3.517 3.192 -1.499 755 1HG2 ILE 101 1HG2 ILE 101 7.601 2.643 -2.576 756 2HG2 ILE 101 2HG2 ILE 101 7.117 3.128 -0.951 757 3HG2 ILE 101 3HG2 ILE 101 7.008 4.278 -2.284 758 1HD1 ILE 101 HD11 ILE 101 5.183 5.028 -0.030 759 2HD1 ILE 101 HD12 ILE 101 5.879 3.411 0.060 760 3HD1 ILE 101 HD13 ILE 101 4.219 3.685 0.582 761 H THR 102 HN THR 102 6.083 4.922 -4.934 762 HA THR 102 HA THR 102 8.516 3.500 -5.940 763 HB THR 102 HB THR 102 7.916 5.840 -7.507 764 HG1 THR 102 HG1 THR 102 5.928 5.223 -8.305 765 1HG2 THR 102 1HG2 THR 102 7.448 3.412 -8.926 766 2HG2 THR 102 2HG2 THR 102 8.771 3.127 -7.796 767 3HG2 THR 102 3HG2 THR 102 8.882 4.438 -8.970 768 H VAL 103 HN VAL 103 9.990 4.190 -4.410 769 HA VAL 103 HA VAL 103 10.070 7.088 -3.750 770 HB VAL 103 HB VAL 103 11.893 5.069 -2.491 771 1HG1 VAL 103 1HG1 VAL 103 10.724 6.721 -0.582 772 2HG1 VAL 103 2HG1 VAL 103 10.888 7.767 -1.993 773 3HG1 VAL 103 3HG1 VAL 103 12.306 6.959 -1.325 774 1HG2 VAL 103 1HG2 VAL 103 9.993 3.791 -2.150 775 2HG2 VAL 103 2HG2 VAL 103 8.912 5.181 -2.263 776 3HG2 VAL 103 3HG2 VAL 103 9.844 4.904 -0.790 777 H ALA 104 HN ALA 104 11.561 8.360 -4.738 778 HA ALA 104 HA ALA 104 13.795 7.012 -6.185 779 1HB ALA 104 HB1 ALA 104 11.983 8.864 -7.108 780 2HB ALA 104 HB2 ALA 104 13.563 8.563 -7.829 781 3HB ALA 104 HB3 ALA 104 13.357 9.883 -6.679 782 H GLY 105 HN GLY 105 13.453 10.314 -4.873 783 1HA GLY 105 HA2 GLY 105 15.295 9.986 -2.718 784 2HA GLY 105 HA1 GLY 105 16.178 10.564 -4.131 Start of MODEL 13 1 1H GLU 1 HT1 GLU 1 5.939 14.742 3.908 2 2H GLU 1 HT2 GLU 1 6.466 16.128 3.078 3 3H GLU 1 HT3 GLU 1 6.672 14.590 2.386 4 HA GLU 1 HA GLU 1 4.245 16.222 2.623 5 1HB GLU 1 HB2 GLU 1 5.192 14.304 0.477 6 2HB GLU 1 HB1 GLU 1 3.949 15.548 0.329 7 1HG GLU 1 HG2 GLU 1 5.515 17.300 0.392 8 2HG GLU 1 HG1 GLU 1 6.763 16.283 1.113 9 H THR 2 HN THR 2 2.252 14.875 1.805 10 HA THR 2 HA THR 2 2.266 12.161 3.038 11 HB THR 2 HB THR 2 -0.269 13.413 3.519 12 HG1 THR 2 HG1 THR 2 2.024 14.817 4.415 13 1HG2 THR 2 1HG2 THR 2 0.719 11.501 4.746 14 2HG2 THR 2 2HG2 THR 2 0.257 12.807 5.837 15 3HG2 THR 2 3HG2 THR 2 1.951 12.576 5.405 16 H TYR 3 HN TYR 3 1.006 10.678 1.921 17 HA TYR 3 HA TYR 3 -0.467 11.750 -0.454 18 1HB TYR 3 HB2 TYR 3 0.939 9.079 -0.131 19 2HB TYR 3 HB1 TYR 3 0.054 9.603 -1.565 20 HD1 TYR 3 HD1 TYR 3 2.808 10.746 0.714 21 HD2 TYR 3 HD2 TYR 3 1.211 10.694 -3.272 22 HE1 TYR 3 HE1 TYR 3 4.832 11.917 -0.111 23 HE2 TYR 3 HE2 TYR 3 3.235 11.865 -4.098 24 HH TYR 3 HH TYR 3 5.010 13.282 -3.252 25 H THR 4 HN THR 4 -2.162 10.005 -1.207 26 HA THR 4 HA THR 4 -3.345 8.454 0.989 27 HB THR 4 HB THR 4 -4.948 10.702 -0.261 28 HG1 THR 4 HG1 THR 4 -3.540 11.711 1.048 29 1HG2 THR 4 1HG2 THR 4 -6.315 10.120 1.899 30 2HG2 THR 4 2HG2 THR 4 -5.443 8.589 1.815 31 3HG2 THR 4 3HG2 THR 4 -6.472 9.093 0.474 32 H VAL 5 HN VAL 5 -3.853 6.583 -0.049 33 HA VAL 5 HA VAL 5 -4.723 6.747 -2.898 34 HB VAL 5 HB VAL 5 -4.119 4.137 -1.568 35 1HG1 VAL 5 1HG1 VAL 5 -4.561 3.717 -3.773 36 2HG1 VAL 5 2HG1 VAL 5 -2.866 4.161 -3.970 37 3HG1 VAL 5 3HG1 VAL 5 -4.130 5.352 -4.277 38 1HG2 VAL 5 1HG2 VAL 5 -2.231 6.390 -1.842 39 2HG2 VAL 5 2HG2 VAL 5 -1.667 4.879 -2.555 40 3HG2 VAL 5 3HG2 VAL 5 -2.111 4.937 -0.850 41 H LYS 6 HN LYS 6 -6.912 7.391 -2.257 42 HA LYS 6 HA LYS 6 -8.532 5.720 -0.549 43 1HB LYS 6 HB2 LYS 6 -9.276 7.766 -2.661 44 2HB LYS 6 HB1 LYS 6 -10.439 6.996 -1.580 45 1HG LYS 6 HG2 LYS 6 -9.414 7.956 0.359 46 2HG LYS 6 HG1 LYS 6 -8.007 8.485 -0.566 47 1HD LYS 6 HD2 LYS 6 -10.028 9.696 -1.952 48 2HD LYS 6 HD1 LYS 6 -10.670 9.738 -0.310 49 1HE LYS 6 HE2 LYS 6 -9.353 11.525 0.066 50 2HE LYS 6 HE1 LYS 6 -7.968 10.440 -0.043 51 1HZ LYS 6 HZ1 LYS 6 -7.709 12.233 -1.596 52 2HZ LYS 6 HZ2 LYS 6 -9.232 11.924 -2.283 53 3HZ LYS 6 HZ3 LYS 6 -7.973 10.796 -2.459 54 H LEU 7 HN LEU 7 -8.146 3.571 -1.410 55 HA LEU 7 HA LEU 7 -8.615 2.833 -4.119 56 1HB LEU 7 HB2 LEU 7 -9.072 0.533 -2.993 57 2HB LEU 7 HB1 LEU 7 -7.466 1.232 -2.841 58 HG LEU 7 HG LEU 7 -9.272 2.159 -0.744 59 1HD1 LEU 7 HD11 LEU 7 -10.168 -0.174 -1.200 60 2HD1 LEU 7 HD12 LEU 7 -9.559 0.084 0.435 61 3HD1 LEU 7 HD13 LEU 7 -8.579 -0.789 -0.744 62 1HD2 LEU 7 HD21 LEU 7 -7.094 2.500 -0.138 63 2HD2 LEU 7 HD22 LEU 7 -6.508 1.157 -1.120 64 3HD2 LEU 7 HD23 LEU 7 -7.213 0.848 0.468 65 H GLY 8 HN GLY 8 -10.505 0.915 -4.271 66 1HA GLY 8 HA2 GLY 8 -12.807 0.648 -4.641 67 2HA GLY 8 HA1 GLY 8 -13.006 1.351 -3.035 68 H SER 9 HN SER 9 -12.841 2.084 -6.477 69 HA SER 9 HA SER 9 -13.093 4.916 -6.310 70 1HB SER 9 HB2 SER 9 -14.157 4.680 -8.604 71 2HB SER 9 HB1 SER 9 -12.574 3.928 -8.436 72 HG SER 9 HG SER 9 -13.470 2.062 -8.777 73 H ASP 10 HN ASP 10 -15.818 3.207 -7.712 74 HA ASP 10 HA ASP 10 -17.661 3.584 -5.553 75 1HB ASP 10 HB2 ASP 10 -17.234 5.977 -6.033 76 2HB ASP 10 HB1 ASP 10 -17.739 5.721 -7.704 77 H LYS 11 HN LYS 11 -16.950 1.734 -7.777 78 HA LYS 11 HA LYS 11 -19.659 1.565 -9.040 79 1HB LYS 11 HB2 LYS 11 -16.927 1.257 -10.193 80 2HB LYS 11 HB1 LYS 11 -18.168 0.145 -10.770 81 1HG LYS 11 HG2 LYS 11 -18.590 3.139 -10.657 82 2HG LYS 11 HG1 LYS 11 -17.946 2.321 -12.081 83 1HD LYS 11 HD2 LYS 11 -20.101 0.755 -11.586 84 2HD LYS 11 HD1 LYS 11 -20.699 2.297 -10.973 85 1HE LYS 11 HE2 LYS 11 -19.418 2.946 -13.376 86 2HE LYS 11 HE1 LYS 11 -20.289 1.452 -13.726 87 1HZ LYS 11 HZ1 LYS 11 -21.468 3.872 -12.469 88 2HZ LYS 11 HZ2 LYS 11 -22.300 2.442 -12.860 89 3HZ LYS 11 HZ3 LYS 11 -21.661 3.420 -14.093 90 H GLY 12 HN GLY 12 -17.193 0.002 -7.193 91 1HA GLY 12 HA2 GLY 12 -18.236 -1.946 -5.869 92 2HA GLY 12 HA1 GLY 12 -18.617 -2.610 -7.459 93 H LEU 13 HN LEU 13 -15.894 -1.230 -8.242 94 HA LEU 13 HA LEU 13 -14.283 -3.646 -7.621 95 1HB LEU 13 HB2 LEU 13 -13.440 -1.381 -9.431 96 2HB LEU 13 HB1 LEU 13 -12.923 -3.066 -9.467 97 HG LEU 13 HG LEU 13 -15.824 -2.418 -9.887 98 1HD1 LEU 13 HD11 LEU 13 -14.772 -2.658 -12.436 99 2HD1 LEU 13 HD12 LEU 13 -13.597 -1.625 -11.622 100 3HD1 LEU 13 HD13 LEU 13 -15.294 -1.149 -11.686 101 1HD2 LEU 13 HD21 LEU 13 -15.482 -4.437 -11.440 102 2HD2 LEU 13 HD22 LEU 13 -15.326 -4.743 -9.709 103 3HD2 LEU 13 HD23 LEU 13 -13.883 -4.586 -10.711 104 H LEU 14 HN LEU 14 -12.230 -3.469 -6.599 105 HA LEU 14 HA LEU 14 -11.828 -0.883 -5.156 106 1HB LEU 14 HB2 LEU 14 -10.895 -3.675 -4.422 107 2HB LEU 14 HB1 LEU 14 -10.604 -2.217 -3.473 108 HG LEU 14 HG LEU 14 -13.412 -2.959 -4.248 109 1HD1 LEU 14 HD11 LEU 14 -13.579 -4.638 -2.723 110 2HD1 LEU 14 HD12 LEU 14 -12.515 -3.825 -1.575 111 3HD1 LEU 14 HD13 LEU 14 -11.829 -4.758 -2.906 112 1HD2 LEU 14 HD21 LEU 14 -13.982 -1.625 -2.348 113 2HD2 LEU 14 HD22 LEU 14 -12.705 -0.738 -3.180 114 3HD2 LEU 14 HD23 LEU 14 -12.331 -1.670 -1.731 115 H VAL 15 HN VAL 15 -10.261 0.299 -6.138 116 HA VAL 15 HA VAL 15 -7.731 -1.091 -6.873 117 HB VAL 15 HB VAL 15 -7.658 0.463 -8.913 118 1HG1 VAL 15 1HG1 VAL 15 -9.966 -1.424 -9.183 119 2HG1 VAL 15 2HG1 VAL 15 -8.402 -2.084 -8.704 120 3HG1 VAL 15 3HG1 VAL 15 -8.562 -1.215 -10.231 121 1HG2 VAL 15 1HG2 VAL 15 -9.443 1.776 -9.412 122 2HG2 VAL 15 2HG2 VAL 15 -9.928 1.520 -7.736 123 3HG2 VAL 15 3HG2 VAL 15 -10.595 0.503 -9.013 124 H PHE 16 HN PHE 16 -5.929 0.068 -6.265 125 HA PHE 16 HA PHE 16 -6.114 2.220 -4.450 126 1HB PHE 16 HB2 PHE 16 -3.887 1.230 -6.228 127 2HB PHE 16 HB1 PHE 16 -3.662 2.649 -5.206 128 HD1 PHE 16 HD1 PHE 16 -4.837 -0.906 -5.065 129 HD2 PHE 16 HD2 PHE 16 -3.056 2.386 -2.956 130 HE1 PHE 16 HE1 PHE 16 -4.440 -2.375 -3.106 131 HE2 PHE 16 HE2 PHE 16 -2.660 0.917 -0.998 132 HZ PHE 16 HZ PHE 16 -3.352 -1.463 -1.073 133 H GLU 17 HN GLU 17 -6.019 4.469 -4.703 134 HA GLU 17 HA GLU 17 -5.851 5.550 -7.462 135 1HB GLU 17 HB2 GLU 17 -8.158 5.966 -5.547 136 2HB GLU 17 HB1 GLU 17 -7.854 7.022 -6.927 137 1HG GLU 17 HG2 GLU 17 -7.816 4.845 -8.329 138 2HG GLU 17 HG1 GLU 17 -8.591 4.098 -6.932 139 HA PRO 18 HA PRO 18 -4.704 6.655 -8.361 140 1HB PRO 18 HB2 PRO 18 -2.054 7.342 -8.553 141 2HB PRO 18 HB1 PRO 18 -3.382 8.482 -8.806 142 1HG PRO 18 HG2 PRO 18 -1.538 8.217 -6.481 143 2HG PRO 18 HG1 PRO 18 -2.411 9.644 -7.065 144 1HD PRO 18 HD2 PRO 18 -3.146 8.049 -4.858 145 2HD PRO 18 HD1 PRO 18 -4.176 9.249 -5.667 146 H ALA 19 HN ALA 19 -3.264 4.993 -9.379 147 HA ALA 19 HA ALA 19 -2.785 2.774 -7.596 148 1HB ALA 19 HB1 ALA 19 -2.851 1.609 -9.523 149 2HB ALA 19 HB2 ALA 19 -1.460 2.491 -10.155 150 3HB ALA 19 HB3 ALA 19 -3.087 3.138 -10.371 151 H LYS 20 HN LYS 20 -0.504 4.565 -9.714 152 HA LYS 20 HA LYS 20 1.782 3.515 -8.229 153 1HB LYS 20 HB2 LYS 20 3.117 4.923 -9.741 154 2HB LYS 20 HB1 LYS 20 1.914 4.014 -10.657 155 1HG LYS 20 HG2 LYS 20 0.741 6.486 -9.777 156 2HG LYS 20 HG1 LYS 20 2.270 6.831 -10.587 157 1HD LYS 20 HD2 LYS 20 0.501 4.820 -11.882 158 2HD LYS 20 HD1 LYS 20 -0.038 6.498 -11.938 159 1HE LYS 20 HE2 LYS 20 1.291 6.406 -13.845 160 2HE LYS 20 HE1 LYS 20 2.464 6.956 -12.649 161 1HZ LYS 20 HZ1 LYS 20 3.339 4.810 -12.425 162 2HZ LYS 20 HZ2 LYS 20 3.148 5.025 -14.100 163 3HZ LYS 20 HZ3 LYS 20 2.032 4.088 -13.227 164 H LEU 21 HN LEU 21 2.906 4.545 -6.607 165 HA LEU 21 HA LEU 21 2.040 7.319 -5.911 166 1HB LEU 21 HB2 LEU 21 1.989 4.864 -4.309 167 2HB LEU 21 HB1 LEU 21 2.857 6.177 -3.517 168 HG LEU 21 HG LEU 21 0.547 6.366 -2.872 169 1HD1 LEU 21 HD11 LEU 21 0.510 8.601 -3.185 170 2HD1 LEU 21 HD12 LEU 21 0.330 8.423 -4.930 171 3HD1 LEU 21 HD13 LEU 21 1.936 8.386 -4.201 172 1HD2 LEU 21 HD21 LEU 21 -0.578 5.058 -4.511 173 2HD2 LEU 21 HD22 LEU 21 0.037 6.046 -5.835 174 3HD2 LEU 21 HD23 LEU 21 -1.185 6.698 -4.742 175 H THR 22 HN THR 22 3.803 8.568 -6.384 176 HA THR 22 HA THR 22 6.521 7.474 -6.008 177 HB THR 22 HB THR 22 5.821 10.292 -6.849 178 HG1 THR 22 HG1 THR 22 6.255 8.197 -8.664 179 1HG2 THR 22 1HG2 THR 22 8.219 8.676 -6.625 180 2HG2 THR 22 2HG2 THR 22 8.067 10.404 -6.938 181 3HG2 THR 22 3HG2 THR 22 7.999 9.256 -8.276 182 H ILE 23 HN ILE 23 6.771 7.357 -3.758 183 HA ILE 23 HA ILE 23 6.397 9.877 -2.234 184 HB ILE 23 HB ILE 23 6.597 8.381 -0.219 185 1HG1 ILE 23 2HG1 ILE 23 5.930 5.914 -1.475 186 2HG1 ILE 23 1HG1 ILE 23 7.384 6.519 -2.266 187 1HG2 ILE 23 1HG2 ILE 23 4.366 8.568 -0.404 188 2HG2 ILE 23 2HG2 ILE 23 4.378 7.039 -1.283 189 3HG2 ILE 23 3HG2 ILE 23 4.458 8.565 -2.164 190 1HD1 ILE 23 HD11 ILE 23 8.618 5.916 -0.491 191 2HD1 ILE 23 HD12 ILE 23 7.171 5.289 0.296 192 3HD1 ILE 23 HD13 ILE 23 7.653 6.967 0.545 193 H LYS 24 HN LYS 24 8.060 10.276 -0.513 194 HA LYS 24 HA LYS 24 10.739 9.874 -1.672 195 1HB LYS 24 HB2 LYS 24 10.387 11.291 0.931 196 2HB LYS 24 HB1 LYS 24 11.413 11.705 -0.441 197 1HG LYS 24 HG2 LYS 24 8.850 11.947 -1.479 198 2HG LYS 24 HG1 LYS 24 8.689 12.577 0.161 199 1HD LYS 24 HD2 LYS 24 9.385 14.484 -0.973 200 2HD LYS 24 HD1 LYS 24 10.934 13.835 -0.432 201 1HE LYS 24 HE2 LYS 24 10.530 12.499 -2.814 202 2HE LYS 24 HE1 LYS 24 9.866 14.097 -3.156 203 1HZ LYS 24 HZ1 LYS 24 11.873 15.053 -3.026 204 2HZ LYS 24 HZ2 LYS 24 12.465 13.485 -3.303 205 3HZ LYS 24 HZ3 LYS 24 12.377 14.097 -1.720 206 HA PRO 25 HA PRO 25 11.987 6.883 1.285 207 1HB PRO 25 HB2 PRO 25 14.364 7.819 2.295 208 2HB PRO 25 HB1 PRO 25 14.177 7.195 0.647 209 1HG PRO 25 HG2 PRO 25 14.499 10.010 1.552 210 2HG PRO 25 HG1 PRO 25 14.877 9.285 -0.019 211 1HD PRO 25 HD2 PRO 25 12.586 10.847 0.620 212 2HD PRO 25 HD1 PRO 25 12.855 9.931 -0.879 213 H GLY 26 HN GLY 26 10.200 7.285 2.841 214 1HA GLY 26 HA2 GLY 26 10.274 7.177 5.386 215 2HA GLY 26 HA1 GLY 26 11.130 8.716 5.304 216 H ASP 27 HN ASP 27 8.903 8.738 2.849 217 HA ASP 27 HA ASP 27 7.257 10.714 4.131 218 1HB ASP 27 HB2 ASP 27 7.176 9.218 1.539 219 2HB ASP 27 HB1 ASP 27 5.719 10.061 2.063 220 H THR 28 HN THR 28 4.692 10.253 3.899 221 HA THR 28 HA THR 28 4.190 7.663 5.270 222 HB THR 28 HB THR 28 2.754 10.287 5.754 223 HG1 THR 28 HG1 THR 28 4.005 10.493 7.495 224 1HG2 THR 28 1HG2 THR 28 2.619 8.012 7.654 225 2HG2 THR 28 2HG2 THR 28 1.765 7.795 6.126 226 3HG2 THR 28 3HG2 THR 28 1.364 9.155 7.175 227 H VAL 29 HN VAL 29 2.889 6.382 4.068 228 HA VAL 29 HA VAL 29 1.195 7.640 1.996 229 HB VAL 29 HB VAL 29 1.823 4.707 2.405 230 1HG1 VAL 29 1HG1 VAL 29 0.926 6.163 -0.092 231 2HG1 VAL 29 2HG1 VAL 29 -0.207 5.405 1.027 232 3HG1 VAL 29 3HG1 VAL 29 0.986 4.422 0.178 233 1HG2 VAL 29 1HG2 VAL 29 3.500 6.857 1.490 234 2HG2 VAL 29 2HG2 VAL 29 3.151 5.782 0.136 235 3HG2 VAL 29 3HG2 VAL 29 3.883 5.140 1.607 236 H GLU 30 HN GLU 30 -0.951 7.857 2.408 237 HA GLU 30 HA GLU 30 -2.082 6.367 4.699 238 1HB GLU 30 HB2 GLU 30 -2.344 9.028 3.795 239 2HB GLU 30 HB1 GLU 30 -3.906 8.260 3.511 240 1HG GLU 30 HG2 GLU 30 -4.376 8.329 5.709 241 2HG GLU 30 HG1 GLU 30 -2.905 7.425 6.074 242 H PHE 31 HN PHE 31 -3.328 4.628 4.302 243 HA PHE 31 HA PHE 31 -4.741 4.477 1.668 244 1HB PHE 31 HB2 PHE 31 -4.218 1.902 2.997 245 2HB PHE 31 HB1 PHE 31 -3.992 2.355 1.311 246 HD1 PHE 31 HD1 PHE 31 -2.490 2.958 4.699 247 HD2 PHE 31 HD2 PHE 31 -1.809 2.566 0.475 248 HE1 PHE 31 HE1 PHE 31 -0.049 3.115 5.078 249 HE2 PHE 31 HE2 PHE 31 0.633 2.723 0.856 250 HZ PHE 31 HZ PHE 31 1.514 2.998 3.158 251 H LEU 32 HN LEU 32 -6.930 3.799 1.810 252 HA LEU 32 HA LEU 32 -7.924 3.032 4.492 253 1HB LEU 32 HB2 LEU 32 -9.913 4.689 3.883 254 2HB LEU 32 HB1 LEU 32 -8.467 5.275 4.705 255 HG LEU 32 HG LEU 32 -8.311 5.208 1.746 256 1HD1 LEU 32 HD11 LEU 32 -10.554 6.439 3.088 257 2HD1 LEU 32 HD12 LEU 32 -10.194 6.382 1.363 258 3HD1 LEU 32 HD13 LEU 32 -9.535 7.680 2.359 259 1HD2 LEU 32 HD21 LEU 32 -6.814 6.251 3.776 260 2HD2 LEU 32 HD22 LEU 32 -7.777 7.656 3.321 261 3HD2 LEU 32 HD23 LEU 32 -6.769 6.851 2.118 262 H ASN 33 HN ASN 33 -10.456 2.664 4.210 263 HA ASN 33 HA ASN 33 -10.769 0.923 1.806 264 1HB ASN 33 HB2 ASN 33 -12.811 0.161 3.389 265 2HB ASN 33 HB1 ASN 33 -11.208 -0.531 3.503 266 1HD2 ASN 33 HD21 ASN 33 -11.158 -0.944 5.735 267 2HD2 ASN 33 HD22 ASN 33 -11.241 0.283 6.907 268 H ASN 34 HN ASN 34 -12.311 1.468 0.311 269 HA ASN 34 HA ASN 34 -13.754 3.967 0.594 270 1HB ASN 34 HB2 ASN 34 -12.999 3.121 -1.608 271 2HB ASN 34 HB1 ASN 34 -14.101 1.751 -1.452 272 1HD2 ASN 34 HD21 ASN 34 -15.406 2.435 -3.298 273 2HD2 ASN 34 HD22 ASN 34 -16.417 3.795 -3.210 274 H LYS 35 HN LYS 35 -14.938 0.608 0.190 275 HA LYS 35 HA LYS 35 -16.838 0.829 2.332 276 1HB LYS 35 HB2 LYS 35 -17.817 2.360 0.503 277 2HB LYS 35 HB1 LYS 35 -18.124 0.875 -0.400 278 1HG LYS 35 HG2 LYS 35 -20.105 0.939 0.754 279 2HG LYS 35 HG1 LYS 35 -19.133 0.152 1.997 280 1HD LYS 35 HD2 LYS 35 -18.622 2.879 2.343 281 2HD LYS 35 HD1 LYS 35 -20.355 2.791 2.022 282 1HE LYS 35 HE2 LYS 35 -18.973 0.989 4.021 283 2HE LYS 35 HE1 LYS 35 -19.680 2.542 4.468 284 1HZ LYS 35 HZ1 LYS 35 -21.641 1.371 3.023 285 2HZ LYS 35 HZ2 LYS 35 -21.553 1.389 4.720 286 3HZ LYS 35 HZ3 LYS 35 -20.972 0.050 3.851 287 H VAL 36 HN VAL 36 -14.892 -1.051 1.323 288 HA VAL 36 HA VAL 36 -16.654 -3.423 1.179 289 HB VAL 36 HB VAL 36 -14.432 -2.962 -0.832 290 1HG1 VAL 36 1HG1 VAL 36 -15.902 -4.951 -1.853 291 2HG1 VAL 36 2HG1 VAL 36 -16.258 -5.221 -0.147 292 3HG1 VAL 36 3HG1 VAL 36 -14.590 -5.258 -0.717 293 1HG2 VAL 36 1HG2 VAL 36 -16.429 -1.487 -1.186 294 2HG2 VAL 36 2HG2 VAL 36 -17.436 -2.933 -1.262 295 3HG2 VAL 36 3HG2 VAL 36 -16.194 -2.657 -2.484 296 HA PRO 37 HA PRO 37 -12.650 -3.814 3.603 297 1HB PRO 37 HB2 PRO 37 -13.732 -3.664 6.123 298 2HB PRO 37 HB1 PRO 37 -13.129 -2.253 5.237 299 1HG PRO 37 HG2 PRO 37 -15.948 -3.085 5.751 300 2HG PRO 37 HG1 PRO 37 -15.286 -1.465 5.484 301 1HD PRO 37 HD2 PRO 37 -16.663 -3.018 3.566 302 2HD PRO 37 HD1 PRO 37 -15.692 -1.567 3.239 303 HA PRO 38 HA PRO 38 -12.019 -4.347 5.822 304 1HB PRO 38 HB2 PRO 38 -10.403 -6.321 6.838 305 2HB PRO 38 HB1 PRO 38 -11.859 -5.748 7.666 306 1HG PRO 38 HG2 PRO 38 -11.418 -8.311 6.231 307 2HG PRO 38 HG1 PRO 38 -12.595 -7.922 7.496 308 1HD PRO 38 HD2 PRO 38 -13.093 -8.090 4.685 309 2HD PRO 38 HD1 PRO 38 -14.223 -7.536 5.940 310 H HIS 39 HN HIS 39 -9.552 -4.221 5.484 311 HA HIS 39 HA HIS 39 -8.817 -5.540 2.908 312 1HB HIS 39 HB2 HIS 39 -8.294 -2.713 3.838 313 2HB HIS 39 HB1 HIS 39 -7.412 -3.450 2.501 314 HD2 HIS 39 HD2 HIS 39 -11.135 -2.396 3.341 315 HE1 HIS 39 HE1 HIS 39 -10.843 -3.106 -0.805 316 HE2 HIS 39 HE2 HIS 39 -12.392 -2.414 1.074 317 H ASN 40 HN ASN 40 -6.595 -6.055 2.626 318 HA ASN 40 HA ASN 40 -4.982 -6.047 5.145 319 1HB ASN 40 HB2 ASN 40 -5.936 -8.294 3.674 320 2HB ASN 40 HB1 ASN 40 -4.196 -8.192 3.400 321 1HD2 ASN 40 HD21 ASN 40 -3.030 -7.486 5.691 322 2HD2 ASN 40 HD22 ASN 40 -3.496 -8.460 7.001 323 H VAL 41 HN VAL 41 -3.558 -4.407 4.663 324 HA VAL 41 HA VAL 41 -2.373 -4.308 1.940 325 HB VAL 41 HB VAL 41 -2.461 -2.368 4.257 326 1HG1 VAL 41 1HG1 VAL 41 -0.508 -2.575 2.061 327 2HG1 VAL 41 2HG1 VAL 41 -0.409 -1.676 3.575 328 3HG1 VAL 41 3HG1 VAL 41 -1.275 -0.993 2.198 329 1HG2 VAL 41 1HG2 VAL 41 -4.114 -1.395 3.066 330 2HG2 VAL 41 2HG2 VAL 41 -4.103 -2.824 2.032 331 3HG2 VAL 41 3HG2 VAL 41 -3.142 -1.411 1.594 332 H VAL 42 HN VAL 42 -0.612 -5.607 1.758 333 HA VAL 42 HA VAL 42 1.480 -5.366 3.866 334 HB VAL 42 HB VAL 42 0.909 -7.983 2.472 335 1HG1 VAL 42 1HG1 VAL 42 1.868 -8.256 5.131 336 2HG1 VAL 42 2HG1 VAL 42 2.845 -7.007 4.361 337 3HG1 VAL 42 3HG1 VAL 42 2.731 -8.608 3.634 338 1HG2 VAL 42 1HG2 VAL 42 -1.107 -7.056 3.769 339 2HG2 VAL 42 2HG2 VAL 42 -0.120 -7.248 5.217 340 3HG2 VAL 42 3HG2 VAL 42 -0.534 -8.656 4.240 341 H PHE 43 HN PHE 43 3.652 -6.000 3.038 342 HA PHE 43 HA PHE 43 3.877 -5.333 0.138 343 1HB PHE 43 HB2 PHE 43 6.056 -5.079 2.224 344 2HB PHE 43 HB1 PHE 43 5.978 -4.313 0.633 345 HD1 PHE 43 HD1 PHE 43 4.932 -2.204 0.368 346 HD2 PHE 43 HD2 PHE 43 4.260 -4.497 3.937 347 HE1 PHE 43 HE1 PHE 43 3.710 -0.293 1.372 348 HE2 PHE 43 HE2 PHE 43 3.040 -2.589 4.932 349 HZ PHE 43 HZ PHE 43 2.774 -0.491 3.660 350 H ASP 44 HN ASP 44 3.820 -7.392 -0.761 351 HA ASP 44 HA ASP 44 4.826 -9.796 0.143 352 1HB ASP 44 HB2 ASP 44 3.688 -9.231 -2.113 353 2HB ASP 44 HB1 ASP 44 5.321 -8.932 -2.707 354 H ALA 45 HN ALA 45 6.885 -10.941 -0.587 355 HA ALA 45 HA ALA 45 9.189 -9.073 -0.366 356 1HB ALA 45 HB1 ALA 45 10.345 -10.677 0.928 357 2HB ALA 45 HB2 ALA 45 9.271 -11.980 0.422 358 3HB ALA 45 HB3 ALA 45 8.696 -10.750 1.547 359 H ALA 46 HN ALA 46 7.644 -10.478 -2.705 360 HA ALA 46 HA ALA 46 10.099 -11.574 -4.019 361 1HB ALA 46 HB1 ALA 46 8.748 -13.443 -4.048 362 2HB ALA 46 HB2 ALA 46 8.164 -12.663 -5.518 363 3HB ALA 46 HB3 ALA 46 7.260 -12.497 -4.013 364 H LEU 47 HN LEU 47 7.983 -9.001 -3.961 365 HA LEU 47 HA LEU 47 8.373 -8.477 -6.881 366 1HB LEU 47 HB2 LEU 47 6.196 -7.718 -4.948 367 2HB LEU 47 HB1 LEU 47 6.489 -6.726 -6.377 368 HG LEU 47 HG LEU 47 6.505 -9.204 -7.496 369 1HD1 LEU 47 HD11 LEU 47 4.761 -10.560 -6.520 370 2HD1 LEU 47 HD12 LEU 47 4.382 -9.309 -5.336 371 3HD1 LEU 47 HD13 LEU 47 5.913 -10.179 -5.240 372 1HD2 LEU 47 HD21 LEU 47 3.919 -7.740 -6.943 373 2HD2 LEU 47 HD22 LEU 47 4.383 -8.620 -8.399 374 3HD2 LEU 47 HD23 LEU 47 5.149 -7.077 -8.019 375 H ASN 48 HN ASN 48 10.452 -7.987 -4.997 376 HA ASN 48 HA ASN 48 10.404 -5.008 -4.769 377 1HB ASN 48 HB2 ASN 48 12.539 -5.650 -3.288 378 2HB ASN 48 HB1 ASN 48 10.909 -5.680 -2.618 379 1HD2 ASN 48 HD21 ASN 48 11.795 -7.370 -1.090 380 2HD2 ASN 48 HD22 ASN 48 11.908 -8.977 -1.623 381 HA PRO 49 HA PRO 49 13.668 -4.686 -7.674 382 1HB PRO 49 HB2 PRO 49 15.156 -2.640 -6.593 383 2HB PRO 49 HB1 PRO 49 13.588 -2.402 -7.383 384 1HG PRO 49 HG2 PRO 49 14.253 -2.350 -4.475 385 2HG PRO 49 HG1 PRO 49 12.943 -1.529 -5.342 386 1HD PRO 49 HD2 PRO 49 12.680 -3.878 -3.794 387 2HD PRO 49 HD1 PRO 49 11.478 -3.248 -4.940 388 H ALA 50 HN ALA 50 15.064 -4.365 -4.375 389 HA ALA 50 HA ALA 50 17.388 -5.975 -5.302 390 1HB ALA 50 HB1 ALA 50 17.504 -4.976 -2.556 391 2HB ALA 50 HB2 ALA 50 17.240 -3.685 -3.728 392 3HB ALA 50 HB3 ALA 50 18.645 -4.741 -3.879 393 H LYS 51 HN LYS 51 14.741 -7.108 -4.728 394 HA LYS 51 HA LYS 51 13.724 -8.780 -3.394 395 1HB LYS 51 HB2 LYS 51 16.526 -9.901 -3.313 396 2HB LYS 51 HB1 LYS 51 15.000 -10.782 -3.391 397 1HG LYS 51 HG2 LYS 51 14.724 -10.385 -5.651 398 2HG LYS 51 HG1 LYS 51 15.626 -8.870 -5.604 399 1HD LYS 51 HD2 LYS 51 17.339 -11.072 -4.847 400 2HD LYS 51 HD1 LYS 51 16.591 -11.391 -6.413 401 1HE LYS 51 HE2 LYS 51 18.532 -10.169 -6.966 402 2HE LYS 51 HE1 LYS 51 17.255 -8.952 -6.992 403 1HZ LYS 51 HZ1 LYS 51 19.301 -9.434 -4.920 404 2HZ LYS 51 HZ2 LYS 51 17.863 -8.606 -4.553 405 3HZ LYS 51 HZ3 LYS 51 18.927 -7.989 -5.725 406 H SER 52 HN SER 52 14.069 -6.735 -1.700 407 HA SER 52 HA SER 52 15.623 -7.747 0.627 408 1HB SER 52 HB2 SER 52 14.178 -5.107 0.535 409 2HB SER 52 HB1 SER 52 15.608 -5.551 1.464 410 HG SER 52 HG SER 52 15.833 -4.234 -0.572 411 H ALA 53 HN ALA 53 14.580 -7.949 2.700 412 HA ALA 53 HA ALA 53 11.610 -7.858 2.700 413 1HB ALA 53 HB1 ALA 53 11.460 -10.113 3.644 414 2HB ALA 53 HB2 ALA 53 13.214 -10.280 3.572 415 3HB ALA 53 HB3 ALA 53 12.276 -10.178 2.082 416 H ASP 54 HN ASP 54 13.229 -6.019 3.975 417 HA ASP 54 HA ASP 54 13.139 -6.881 6.821 418 1HB ASP 54 HB2 ASP 54 14.768 -4.599 5.688 419 2HB ASP 54 HB1 ASP 54 14.906 -5.322 7.290 420 H LEU 55 HN LEU 55 13.180 -3.705 5.185 421 HA LEU 55 HA LEU 55 11.546 -2.385 7.061 422 1HB LEU 55 HB2 LEU 55 11.177 -0.700 5.347 423 2HB LEU 55 HB1 LEU 55 12.839 -1.279 5.217 424 HG LEU 55 HG LEU 55 11.317 -3.021 3.615 425 1HD1 LEU 55 HD11 LEU 55 10.037 -0.447 3.824 426 2HD1 LEU 55 HD12 LEU 55 9.551 -1.845 2.865 427 3HD1 LEU 55 HD13 LEU 55 10.669 -0.659 2.190 428 1HD2 LEU 55 HD21 LEU 55 12.518 -1.613 1.770 429 2HD2 LEU 55 HD22 LEU 55 13.507 -2.478 2.947 430 3HD2 LEU 55 HD23 LEU 55 13.233 -0.746 3.129 431 H ALA 56 HN ALA 56 10.669 -4.558 4.462 432 HA ALA 56 HA ALA 56 7.886 -3.864 4.305 433 1HB ALA 56 HB1 ALA 56 7.762 -5.573 2.801 434 2HB ALA 56 HB2 ALA 56 8.589 -6.703 3.872 435 3HB ALA 56 HB3 ALA 56 9.522 -5.555 2.912 436 H LYS 57 HN LYS 57 9.705 -6.138 6.332 437 HA LYS 57 HA LYS 57 7.487 -7.445 7.537 438 1HB LYS 57 HB2 LYS 57 10.131 -7.782 7.754 439 2HB LYS 57 HB1 LYS 57 9.881 -6.819 9.210 440 1HG LYS 57 HG2 LYS 57 7.886 -8.952 8.831 441 2HG LYS 57 HG1 LYS 57 9.532 -9.542 9.064 442 1HD LYS 57 HD2 LYS 57 8.817 -7.348 10.880 443 2HD LYS 57 HD1 LYS 57 7.819 -8.787 11.094 444 1HE LYS 57 HE2 LYS 57 10.210 -9.986 10.907 445 2HE LYS 57 HE1 LYS 57 10.747 -8.427 11.532 446 1HZ LYS 57 HZ1 LYS 57 8.911 -10.378 12.764 447 2HZ LYS 57 HZ2 LYS 57 8.867 -8.742 13.219 448 3HZ LYS 57 HZ3 LYS 57 10.289 -9.646 13.429 449 H SER 58 HN SER 58 9.060 -4.359 8.274 450 HA SER 58 HA SER 58 7.100 -3.924 10.476 451 1HB SER 58 HB2 SER 58 9.554 -3.518 10.891 452 2HB SER 58 HB1 SER 58 9.484 -2.215 9.709 453 HG SER 58 HG SER 58 8.313 -2.420 12.251 454 H LEU 59 HN LEU 59 6.397 -3.819 7.596 455 HA LEU 59 HA LEU 59 5.593 -0.936 7.448 456 1HB LEU 59 HB2 LEU 59 7.170 -2.105 5.628 457 2HB LEU 59 HB1 LEU 59 5.617 -2.643 4.997 458 HG LEU 59 HG LEU 59 4.827 -0.320 4.912 459 1HD1 LEU 59 HD11 LEU 59 5.803 1.079 6.409 460 2HD1 LEU 59 HD12 LEU 59 7.084 1.249 5.211 461 3HD1 LEU 59 HD13 LEU 59 7.252 0.082 6.522 462 1HD2 LEU 59 HD21 LEU 59 5.761 -0.161 2.865 463 2HD2 LEU 59 HD22 LEU 59 6.839 -1.482 3.312 464 3HD2 LEU 59 HD23 LEU 59 7.341 0.190 3.564 465 H SER 60 HN SER 60 4.634 -4.302 7.023 466 HA SER 60 HA SER 60 1.924 -3.649 6.173 467 1HB SER 60 HB2 SER 60 1.990 -6.275 7.207 468 2HB SER 60 HB1 SER 60 2.075 -5.792 5.519 469 HG SER 60 HG SER 60 4.177 -6.083 5.534 470 H HIS 61 HN HIS 61 0.006 -3.988 7.417 471 HA HIS 61 HA HIS 61 0.419 -3.592 10.336 472 1HB HIS 61 HB2 HIS 61 -1.850 -2.757 10.393 473 2HB HIS 61 HB1 HIS 61 -1.042 -1.994 9.026 474 HD1 HIS 61 HD1 HIS 61 -3.081 -5.199 9.579 475 HD2 HIS 61 HD2 HIS 61 -2.612 -2.143 6.770 476 HE1 HIS 61 HE1 HIS 61 -4.719 -5.678 7.705 477 H LYS 62 HN LYS 62 -1.287 -4.768 11.739 478 HA LYS 62 HA LYS 62 -1.682 -7.524 10.635 479 1HB LYS 62 HB2 LYS 62 -0.905 -6.580 13.397 480 2HB LYS 62 HB1 LYS 62 -1.593 -8.182 13.131 481 1HG LYS 62 HG2 LYS 62 0.472 -7.676 11.181 482 2HG LYS 62 HG1 LYS 62 1.105 -7.408 12.805 483 1HD LYS 62 HD2 LYS 62 1.156 -9.621 13.201 484 2HD LYS 62 HD1 LYS 62 -0.555 -9.765 12.795 485 1HE LYS 62 HE2 LYS 62 1.158 -9.373 10.444 486 2HE LYS 62 HE1 LYS 62 1.525 -10.851 11.332 487 1HZ LYS 62 HZ1 LYS 62 -1.138 -10.912 11.320 488 2HZ LYS 62 HZ2 LYS 62 -0.175 -11.657 10.134 489 3HZ LYS 62 HZ3 LYS 62 -0.855 -10.127 9.843 490 H GLN 63 HN GLN 63 -3.067 -4.905 12.558 491 HA GLN 63 HA GLN 63 -5.484 -6.365 13.237 492 1HB GLN 63 HB2 GLN 63 -4.596 -4.343 14.482 493 2HB GLN 63 HB1 GLN 63 -5.128 -3.358 13.119 494 1HG GLN 63 HG2 GLN 63 -7.435 -4.263 13.415 495 2HG GLN 63 HG1 GLN 63 -6.879 -5.130 14.847 496 1HE2 GLN 63 1HE2 GLN 63 -8.051 -3.927 16.431 497 2HE2 GLN 63 2HE2 GLN 63 -7.790 -2.273 16.714 498 H LEU 64 HN LEU 64 -6.776 -7.059 11.576 499 HA LEU 64 HA LEU 64 -6.942 -6.142 8.971 500 1HB LEU 64 HB2 LEU 64 -8.900 -7.416 10.831 501 2HB LEU 64 HB1 LEU 64 -9.520 -6.765 9.315 502 HG LEU 64 HG LEU 64 -8.694 -9.241 9.389 503 1HD1 LEU 64 HD11 LEU 64 -7.552 -7.481 7.212 504 2HD1 LEU 64 HD12 LEU 64 -9.283 -7.784 7.369 505 3HD1 LEU 64 HD13 LEU 64 -8.177 -9.123 7.062 506 1HD2 LEU 64 HD21 LEU 64 -6.055 -7.826 8.932 507 2HD2 LEU 64 HD22 LEU 64 -6.337 -9.566 9.000 508 3HD2 LEU 64 HD23 LEU 64 -6.496 -8.590 10.460 509 H LEU 65 HN LEU 65 -8.483 -4.696 7.891 510 HA LEU 65 HA LEU 65 -9.120 -2.336 9.607 511 1HB LEU 65 HB2 LEU 65 -9.141 -2.335 6.589 512 2HB LEU 65 HB1 LEU 65 -8.883 -0.982 7.689 513 HG LEU 65 HG LEU 65 -6.918 -3.218 7.857 514 1HD1 LEU 65 HD11 LEU 65 -5.963 -1.432 5.869 515 2HD1 LEU 65 HD12 LEU 65 -7.559 -1.972 5.354 516 3HD1 LEU 65 HD13 LEU 65 -6.298 -3.153 5.699 517 1HD2 LEU 65 HD21 LEU 65 -5.624 -0.776 7.634 518 2HD2 LEU 65 HD22 LEU 65 -6.058 -1.569 9.148 519 3HD2 LEU 65 HD23 LEU 65 -7.132 -0.358 8.448 520 H MET 66 HN MET 66 -11.148 -3.080 10.403 521 HA MET 66 HA MET 66 -13.193 -3.956 8.471 522 1HB MET 66 HB2 MET 66 -12.730 -4.731 10.999 523 2HB MET 66 HB1 MET 66 -13.898 -3.447 11.316 524 1HG MET 66 HG2 MET 66 -15.617 -4.638 10.437 525 2HG MET 66 HG1 MET 66 -14.647 -5.194 9.073 526 1HE MET 66 HE1 MET 66 -14.087 -8.338 9.254 527 2HE MET 66 HE2 MET 66 -15.155 -7.061 8.676 528 3HE MET 66 HE3 MET 66 -15.782 -8.303 9.757 529 H SER 67 HN SER 67 -12.216 -0.989 9.919 530 HA SER 67 HA SER 67 -14.863 0.250 9.839 531 1HB SER 67 HB2 SER 67 -13.016 1.025 11.360 532 2HB SER 67 HB1 SER 67 -12.143 1.592 9.939 533 HG SER 67 HG SER 67 -14.815 2.359 10.358 534 HA PRO 68 HA PRO 68 -14.417 0.678 5.392 535 1HB PRO 68 HB2 PRO 68 -16.997 1.551 4.987 536 2HB PRO 68 HB1 PRO 68 -16.547 -0.154 5.155 537 1HG PRO 68 HG2 PRO 68 -17.878 1.642 7.134 538 2HG PRO 68 HG1 PRO 68 -18.001 -0.116 6.954 539 1HD PRO 68 HD2 PRO 68 -16.458 1.211 8.896 540 2HD PRO 68 HD1 PRO 68 -16.277 -0.491 8.423 541 H GLY 69 HN GLY 69 -13.363 2.441 4.597 542 1HA GLY 69 HA2 GLY 69 -13.640 4.782 3.768 543 2HA GLY 69 HA1 GLY 69 -14.511 5.140 5.257 544 H GLN 70 HN GLN 70 -12.340 3.308 6.567 545 HA GLN 70 HA GLN 70 -9.997 5.102 6.431 546 1HB GLN 70 HB2 GLN 70 -10.033 5.241 8.995 547 2HB GLN 70 HB1 GLN 70 -11.208 6.243 8.143 548 1HG GLN 70 HG2 GLN 70 -12.304 3.607 8.594 549 2HG GLN 70 HG1 GLN 70 -11.745 4.298 10.118 550 1HE2 GLN 70 1HE2 GLN 70 -12.575 6.557 10.628 551 2HE2 GLN 70 2HE2 GLN 70 -14.106 7.004 10.047 552 H SER 71 HN SER 71 -8.387 3.621 6.136 553 HA SER 71 HA SER 71 -8.620 1.026 7.560 554 1HB SER 71 HB2 SER 71 -7.397 0.020 5.880 555 2HB SER 71 HB1 SER 71 -8.196 1.287 4.965 556 HG SER 71 HG SER 71 -5.685 0.889 5.040 557 H THR 72 HN THR 72 -5.505 0.948 6.933 558 HA THR 72 HA THR 72 -4.772 2.456 9.411 559 HB THR 72 HB THR 72 -4.602 -0.102 9.436 560 HG1 THR 72 HG1 THR 72 -3.267 1.625 10.614 561 1HG2 THR 72 1HG2 THR 72 -3.748 -0.465 7.199 562 2HG2 THR 72 2HG2 THR 72 -2.516 -0.980 8.351 563 3HG2 THR 72 3HG2 THR 72 -2.354 0.567 7.520 564 H SER 73 HN SER 73 -2.603 3.433 9.391 565 HA SER 73 HA SER 73 -1.845 4.289 6.642 566 1HB SER 73 HB2 SER 73 -0.334 5.788 8.413 567 2HB SER 73 HB1 SER 73 -1.857 6.294 7.689 568 HG SER 73 HG SER 73 -1.382 5.975 10.213 569 H THR 74 HN THR 74 0.760 4.940 6.848 570 HA THR 74 HA THR 74 2.322 2.880 8.200 571 HB THR 74 HB THR 74 2.215 2.814 5.169 572 HG1 THR 74 HG1 THR 74 1.036 1.180 7.155 573 1HG2 THR 74 1HG2 THR 74 3.343 0.504 5.889 574 2HG2 THR 74 2HG2 THR 74 3.815 1.464 7.291 575 3HG2 THR 74 3HG2 THR 74 4.296 1.971 5.672 576 H THR 75 HN THR 75 3.878 4.272 8.922 577 HA THR 75 HA THR 75 4.826 6.474 7.217 578 HB THR 75 HB THR 75 4.669 7.055 9.514 579 HG1 THR 75 HG1 THR 75 7.128 6.867 10.068 580 1HG2 THR 75 1HG2 THR 75 6.271 5.441 11.034 581 2HG2 THR 75 2HG2 THR 75 5.611 4.283 9.878 582 3HG2 THR 75 3HG2 THR 75 4.525 5.245 10.880 583 H PHE 76 HN PHE 76 5.846 5.311 5.496 584 HA PHE 76 HA PHE 76 7.636 3.197 5.624 585 1HB PHE 76 HB2 PHE 76 7.479 5.623 3.863 586 2HB PHE 76 HB1 PHE 76 8.860 4.536 3.703 587 HD1 PHE 76 HD1 PHE 76 5.130 4.234 4.168 588 HD2 PHE 76 HD2 PHE 76 8.644 2.859 2.112 589 HE1 PHE 76 HE1 PHE 76 3.750 2.642 2.865 590 HE2 PHE 76 HE2 PHE 76 7.260 1.268 0.809 591 HZ PHE 76 HZ PHE 76 4.812 1.166 1.187 592 HA PRO 77 HA PRO 77 11.183 4.564 7.789 593 1HB PRO 77 HB2 PRO 77 13.178 3.266 6.413 594 2HB PRO 77 HB1 PRO 77 12.053 2.455 7.516 595 1HG PRO 77 HG2 PRO 77 12.109 2.424 4.535 596 2HG PRO 77 HG1 PRO 77 11.473 1.211 5.657 597 1HD PRO 77 HD2 PRO 77 9.933 3.082 4.198 598 2HD PRO 77 HD1 PRO 77 9.361 2.101 5.564 599 H ALA 78 HN ALA 78 13.186 5.838 7.636 600 HA ALA 78 HA ALA 78 13.008 7.973 5.705 601 1HB ALA 78 HB1 ALA 78 15.527 8.208 6.779 602 2HB ALA 78 HB2 ALA 78 14.686 7.288 8.027 603 3HB ALA 78 HB3 ALA 78 14.060 8.855 7.514 604 H ASP 79 HN ASP 79 14.158 4.865 5.332 605 HA ASP 79 HA ASP 79 16.317 5.668 3.453 606 1HB ASP 79 HB2 ASP 79 16.100 3.553 5.251 607 2HB ASP 79 HB1 ASP 79 15.785 2.803 3.686 608 H ALA 80 HN ALA 80 13.974 2.988 3.283 609 HA ALA 80 HA ALA 80 12.879 2.159 1.350 610 1HB ALA 80 HB1 ALA 80 12.018 5.044 1.614 611 2HB ALA 80 HB2 ALA 80 11.184 3.609 2.208 612 3HB ALA 80 HB3 ALA 80 11.265 3.929 0.475 613 HA PRO 81 HA PRO 81 15.810 4.259 -1.645 614 1HB PRO 81 HB2 PRO 81 17.630 2.209 -1.841 615 2HB PRO 81 HB1 PRO 81 17.783 3.543 -0.684 616 1HG PRO 81 HG2 PRO 81 16.973 0.713 -0.191 617 2HG PRO 81 HG1 PRO 81 17.742 1.868 0.910 618 1HD PRO 81 HD2 PRO 81 15.003 1.167 0.904 619 2HD PRO 81 HD1 PRO 81 15.724 2.555 1.744 620 H ALA 82 HN ALA 82 16.922 2.518 -3.567 621 HA ALA 82 HA ALA 82 16.364 1.091 -5.354 622 1HB ALA 82 HB1 ALA 82 15.366 -0.773 -4.588 623 2HB ALA 82 HB2 ALA 82 13.818 0.072 -4.568 624 3HB ALA 82 HB3 ALA 82 14.852 0.091 -3.139 625 H GLY 83 HN GLY 83 13.100 1.978 -4.183 626 1HA GLY 83 HA2 GLY 83 11.864 3.871 -5.156 627 2HA GLY 83 HA1 GLY 83 12.797 3.648 -6.636 628 H GLU 84 HN GLU 84 11.611 0.863 -4.909 629 HA GLU 84 HA GLU 84 9.242 0.620 -6.654 630 1HB GLU 84 HB2 GLU 84 11.306 -0.285 -7.891 631 2HB GLU 84 HB1 GLU 84 11.320 -1.574 -6.686 632 1HG GLU 84 HG2 GLU 84 9.988 -2.547 -8.318 633 2HG GLU 84 HG1 GLU 84 8.756 -1.757 -7.332 634 H TYR 85 HN TYR 85 7.733 0.127 -5.146 635 HA TYR 85 HA TYR 85 8.269 -2.168 -3.324 636 1HB TYR 85 HB2 TYR 85 7.065 0.492 -2.490 637 2HB TYR 85 HB1 TYR 85 7.158 -0.943 -1.470 638 HD1 TYR 85 HD1 TYR 85 9.259 1.452 -3.423 639 HD2 TYR 85 HD2 TYR 85 9.110 -1.425 -0.237 640 HE1 TYR 85 HE1 TYR 85 11.567 2.069 -2.758 641 HE2 TYR 85 HE2 TYR 85 11.418 -0.808 0.428 642 HH TYR 85 HH TYR 85 13.305 1.537 -1.460 643 H THR 86 HN THR 86 6.909 -3.307 -4.877 644 HA THR 86 HA THR 86 4.192 -2.383 -5.373 645 HB THR 86 HB THR 86 5.626 -4.984 -5.952 646 HG1 THR 86 HG1 THR 86 5.728 -4.171 -7.962 647 1HG2 THR 86 1HG2 THR 86 2.757 -4.172 -6.351 648 2HG2 THR 86 2HG2 THR 86 3.404 -5.707 -5.770 649 3HG2 THR 86 3HG2 THR 86 3.532 -5.287 -7.478 650 H PHE 87 HN PHE 87 2.543 -2.615 -3.975 651 HA PHE 87 HA PHE 87 2.643 -4.854 -2.029 652 1HB PHE 87 HB2 PHE 87 0.946 -3.268 -0.781 653 2HB PHE 87 HB1 PHE 87 2.684 -3.003 -0.627 654 HD1 PHE 87 HD1 PHE 87 3.747 -1.093 -1.583 655 HD2 PHE 87 HD2 PHE 87 -0.384 -1.920 -2.388 656 HE1 PHE 87 HE1 PHE 87 3.503 1.143 -2.603 657 HE2 PHE 87 HE2 PHE 87 -0.636 0.315 -3.410 658 HZ PHE 87 HZ PHE 87 1.308 1.860 -3.523 659 H TYR 88 HN TYR 88 0.235 -5.408 -1.315 660 HA TYR 88 HA TYR 88 -1.748 -4.899 -3.394 661 1HB TYR 88 HB2 TYR 88 -2.023 -7.211 -4.096 662 2HB TYR 88 HB1 TYR 88 -0.352 -6.723 -4.375 663 HD1 TYR 88 HD1 TYR 88 1.202 -7.051 -2.169 664 HD2 TYR 88 HD2 TYR 88 -2.337 -9.292 -3.119 665 HE1 TYR 88 HE1 TYR 88 1.987 -8.904 -0.721 666 HE2 TYR 88 HE2 TYR 88 -1.552 -11.145 -1.672 667 HH TYR 88 HH TYR 88 1.593 -10.968 -0.003 668 H CYS 89 HN CYS 89 -3.357 -7.201 -2.780 669 HA CYS 89 HA CYS 89 -3.912 -6.791 0.131 670 1HB CYS 89 HB2 CYS 89 -5.476 -5.880 -2.042 671 2HB CYS 89 HB1 CYS 89 -6.325 -7.273 -1.378 672 H GLU 90 HN GLU 90 -4.922 -8.615 1.163 673 HA GLU 90 HA GLU 90 -4.278 -11.167 -0.128 674 1HB GLU 90 HB2 GLU 90 -3.740 -11.169 2.162 675 2HB GLU 90 HB1 GLU 90 -5.247 -10.385 2.618 676 1HG GLU 90 HG2 GLU 90 -5.528 -12.993 1.235 677 2HG GLU 90 HG1 GLU 90 -4.828 -13.055 2.853 678 HA PRO 91 HA PRO 91 -9.031 -11.590 0.103 679 1HB PRO 91 HB2 PRO 91 -10.488 -9.337 0.682 680 2HB PRO 91 HB1 PRO 91 -9.909 -10.469 1.917 681 1HG PRO 91 HG2 PRO 91 -8.906 -7.745 1.255 682 2HG PRO 91 HG1 PRO 91 -8.790 -8.644 2.776 683 1HD PRO 91 HD2 PRO 91 -6.726 -8.317 0.851 684 2HD PRO 91 HD1 PRO 91 -6.708 -9.418 2.243 685 H HIS 92 HN HIS 92 -8.358 -8.188 -0.836 686 HA HIS 92 HA HIS 92 -9.945 -8.521 -3.291 687 1HB HIS 92 HB2 HIS 92 -8.230 -6.128 -2.632 688 2HB HIS 92 HB1 HIS 92 -9.719 -6.188 -3.576 689 HD2 HIS 92 HD2 HIS 92 -12.124 -6.522 -1.954 690 HE1 HIS 92 HE1 HIS 92 -10.216 -5.541 1.668 691 HE2 HIS 92 HE2 HIS 92 -12.447 -5.968 0.562 692 H ARG 93 HN ARG 93 -7.698 -10.267 -3.166 693 HA ARG 93 HA ARG 93 -5.500 -9.127 -4.704 694 1HB ARG 93 HB2 ARG 93 -5.091 -11.032 -3.212 695 2HB ARG 93 HB1 ARG 93 -6.236 -12.015 -4.127 696 1HG ARG 93 HG2 ARG 93 -4.710 -11.354 -6.174 697 2HG ARG 93 HG1 ARG 93 -3.503 -11.061 -4.922 698 1HD ARG 93 HD2 ARG 93 -3.415 -13.293 -4.290 699 2HD ARG 93 HD1 ARG 93 -5.056 -13.623 -4.845 700 HE ARG 93 HE ARG 93 -3.350 -12.960 -7.074 701 1HH1 ARG 93 HH11 ARG 93 -5.145 -15.376 -5.632 702 2HH1 ARG 93 HH12 ARG 93 -4.235 -16.698 -6.284 703 1HH2 ARG 93 HH21 ARG 93 -1.716 -14.683 -7.556 704 2HH2 ARG 93 HH22 ARG 93 -2.294 -16.305 -7.373 705 H GLY 94 HN GLY 94 -5.176 -9.280 -6.925 706 1HA GLY 94 HA2 GLY 94 -5.676 -9.732 -9.180 707 2HA GLY 94 HA1 GLY 94 -6.798 -10.976 -8.626 708 H ALA 95 HN ALA 95 -7.244 -7.860 -7.238 709 HA ALA 95 HA ALA 95 -9.525 -7.380 -9.115 710 1HB ALA 95 HB1 ALA 95 -10.932 -7.288 -7.357 711 2HB ALA 95 HB2 ALA 95 -9.895 -6.120 -6.538 712 3HB ALA 95 HB3 ALA 95 -9.610 -7.848 -6.332 713 H GLY 96 HN GLY 96 -6.873 -6.330 -9.453 714 1HA GLY 96 HA2 GLY 96 -5.965 -4.252 -10.090 715 2HA GLY 96 HA1 GLY 96 -7.517 -3.514 -9.694 716 H MET 97 HN MET 97 -6.303 -5.408 -7.149 717 HA MET 97 HA MET 97 -5.619 -2.938 -5.653 718 1HB MET 97 HB2 MET 97 -6.358 -5.751 -4.881 719 2HB MET 97 HB1 MET 97 -5.541 -4.704 -3.721 720 1HG MET 97 HG2 MET 97 -7.720 -3.319 -5.072 721 2HG MET 97 HG1 MET 97 -8.284 -4.764 -4.234 722 1HE MET 97 HE1 MET 97 -7.650 -0.847 -3.266 723 2HE MET 97 HE2 MET 97 -9.056 -1.485 -2.416 724 3HE MET 97 HE3 MET 97 -8.812 -1.873 -4.117 725 H VAL 98 HN VAL 98 -3.586 -3.068 -7.205 726 HA VAL 98 HA VAL 98 -1.431 -4.370 -5.617 727 HB VAL 98 HB VAL 98 -1.589 -4.493 -8.642 728 1HG1 VAL 98 1HG1 VAL 98 0.459 -5.098 -6.614 729 2HG1 VAL 98 2HG1 VAL 98 0.642 -4.799 -8.342 730 3HG1 VAL 98 3HG1 VAL 98 0.183 -6.402 -7.767 731 1HG2 VAL 98 1HG2 VAL 98 -2.154 -6.591 -6.524 732 2HG2 VAL 98 2HG2 VAL 98 -1.953 -6.948 -8.240 733 3HG2 VAL 98 3HG2 VAL 98 -3.299 -5.943 -7.699 734 H GLY 99 HN GLY 99 -1.352 -1.991 -4.978 735 1HA GLY 99 HA2 GLY 99 -0.277 -0.190 -7.038 736 2HA GLY 99 HA1 GLY 99 -0.652 0.256 -5.376 737 H LYS 100 HN LYS 100 1.766 1.083 -6.422 738 HA LYS 100 HA LYS 100 3.655 -0.497 -4.765 739 1HB LYS 100 HB2 LYS 100 4.629 0.437 -7.436 740 2HB LYS 100 HB1 LYS 100 5.175 -0.928 -6.461 741 1HG LYS 100 HG2 LYS 100 3.182 -2.195 -7.017 742 2HG LYS 100 HG1 LYS 100 2.486 -0.807 -7.854 743 1HD LYS 100 HD2 LYS 100 3.998 -0.961 -9.641 744 2HD LYS 100 HD1 LYS 100 5.162 -1.894 -8.701 745 1HE LYS 100 HE2 LYS 100 4.054 -3.380 -10.282 746 2HE LYS 100 HE1 LYS 100 3.532 -3.789 -8.648 747 1HZ LYS 100 HZ1 LYS 100 2.018 -2.702 -10.848 748 2HZ LYS 100 HZ2 LYS 100 1.743 -1.918 -9.366 749 3HZ LYS 100 HZ3 LYS 100 1.492 -3.592 -9.503 750 H ILE 101 HN ILE 101 5.133 0.809 -3.711 751 HA ILE 101 HA ILE 101 4.798 3.720 -4.068 752 HB ILE 101 HB ILE 101 5.669 1.932 -1.904 753 1HG1 ILE 101 2HG1 ILE 101 4.553 4.735 -2.131 754 2HG1 ILE 101 1HG1 ILE 101 3.700 3.270 -1.647 755 1HG2 ILE 101 1HG2 ILE 101 7.207 4.500 -2.402 756 2HG2 ILE 101 2HG2 ILE 101 7.878 2.872 -2.310 757 3HG2 ILE 101 3HG2 ILE 101 7.201 3.630 -0.868 758 1HD1 ILE 101 HD11 ILE 101 5.083 5.123 0.025 759 2HD1 ILE 101 HD12 ILE 101 5.971 3.600 0.076 760 3HD1 ILE 101 HD13 ILE 101 4.261 3.638 0.502 761 H THR 102 HN THR 102 6.204 4.908 -5.247 762 HA THR 102 HA THR 102 8.741 3.608 -6.123 763 HB THR 102 HB THR 102 7.286 6.044 -7.208 764 HG1 THR 102 HG1 THR 102 7.343 3.325 -7.839 765 1HG2 THR 102 1HG2 THR 102 9.865 5.881 -7.411 766 2HG2 THR 102 2HG2 THR 102 8.937 6.178 -8.881 767 3HG2 THR 102 3HG2 THR 102 9.547 4.559 -8.535 768 H VAL 103 HN VAL 103 10.176 4.059 -4.457 769 HA VAL 103 HA VAL 103 10.310 6.855 -3.462 770 HB VAL 103 HB VAL 103 11.979 4.563 -2.445 771 1HG1 VAL 103 1HG1 VAL 103 11.771 5.842 -0.338 772 2HG1 VAL 103 2HG1 VAL 103 10.763 7.026 -1.170 773 3HG1 VAL 103 3HG1 VAL 103 12.454 6.832 -1.629 774 1HG2 VAL 103 1HG2 VAL 103 9.932 3.506 -2.206 775 2HG2 VAL 103 2HG2 VAL 103 9.039 5.026 -2.142 776 3HG2 VAL 103 3HG2 VAL 103 9.943 4.475 -0.732 777 H ALA 104 HN ALA 104 11.213 7.432 -5.676 778 HA ALA 104 HA ALA 104 13.567 6.572 -6.834 779 1HB ALA 104 HB1 ALA 104 13.823 9.374 -6.832 780 2HB ALA 104 HB2 ALA 104 12.088 9.065 -6.757 781 3HB ALA 104 HB3 ALA 104 13.048 8.385 -8.071 782 H GLY 105 HN GLY 105 15.130 5.803 -5.367 783 1HA GLY 105 HA2 GLY 105 16.986 5.974 -3.942 784 2HA GLY 105 HA1 GLY 105 17.029 7.686 -4.365 Start of MODEL 14 1 1H GLU 1 HT1 GLU 1 4.633 15.538 3.817 2 2H GLU 1 HT2 GLU 1 4.122 17.048 4.405 3 3H GLU 1 HT3 GLU 1 4.780 16.919 2.844 4 HA GLU 1 HA GLU 1 2.118 16.826 3.521 5 1HB GLU 1 HB2 GLU 1 1.913 16.145 1.068 6 2HB GLU 1 HB1 GLU 1 2.860 17.601 1.381 7 1HG GLU 1 HG2 GLU 1 4.567 15.285 1.554 8 2HG GLU 1 HG1 GLU 1 3.702 15.268 0.017 9 H THR 2 HN THR 2 0.555 15.071 2.757 10 HA THR 2 HA THR 2 1.620 12.389 3.555 11 HB THR 2 HB THR 2 -1.301 12.891 3.712 12 HG1 THR 2 HG1 THR 2 -1.188 14.393 5.172 13 1HG2 THR 2 1HG2 THR 2 -0.451 10.783 4.474 14 2HG2 THR 2 2HG2 THR 2 -0.886 11.701 5.916 15 3HG2 THR 2 3HG2 THR 2 0.805 11.566 5.432 16 H TYR 3 HN TYR 3 0.297 10.555 2.560 17 HA TYR 3 HA TYR 3 -0.691 11.296 -0.161 18 1HB TYR 3 HB2 TYR 3 1.275 9.127 0.604 19 2HB TYR 3 HB1 TYR 3 0.386 9.096 -0.919 20 HD1 TYR 3 HD1 TYR 3 3.083 10.663 0.968 21 HD2 TYR 3 HD2 TYR 3 0.682 10.937 -2.583 22 HE1 TYR 3 HE1 TYR 3 4.718 12.246 -0.015 23 HE2 TYR 3 HE2 TYR 3 2.317 12.522 -3.566 24 HH TYR 3 HH TYR 3 5.360 12.897 -2.528 25 H THR 4 HN THR 4 -2.866 10.998 0.479 26 HA THR 4 HA THR 4 -3.623 8.404 1.690 27 HB THR 4 HB THR 4 -5.878 10.047 0.963 28 HG1 THR 4 HG1 THR 4 -5.042 11.933 1.247 29 1HG2 THR 4 1HG2 THR 4 -6.451 9.737 3.211 30 2HG2 THR 4 2HG2 THR 4 -4.769 9.726 3.740 31 3HG2 THR 4 3HG2 THR 4 -5.434 8.334 2.886 32 H VAL 5 HN VAL 5 -3.595 6.809 0.125 33 HA VAL 5 HA VAL 5 -4.758 7.407 -2.535 34 HB VAL 5 HB VAL 5 -3.935 5.043 -3.023 35 1HG1 VAL 5 1HG1 VAL 5 -1.997 5.976 -3.751 36 2HG1 VAL 5 2HG1 VAL 5 -1.526 6.475 -2.126 37 3HG1 VAL 5 3HG1 VAL 5 -2.641 7.468 -3.065 38 1HG2 VAL 5 1HG2 VAL 5 -2.207 5.316 -0.599 39 2HG2 VAL 5 2HG2 VAL 5 -2.717 3.858 -1.451 40 3HG2 VAL 5 3HG2 VAL 5 -3.843 4.695 -0.382 41 H LYS 6 HN LYS 6 -6.946 7.170 -2.593 42 HA LYS 6 HA LYS 6 -8.325 5.351 -0.766 43 1HB LYS 6 HB2 LYS 6 -9.548 6.737 -3.157 44 2HB LYS 6 HB1 LYS 6 -10.338 6.243 -1.659 45 1HG LYS 6 HG2 LYS 6 -8.410 7.883 -0.671 46 2HG LYS 6 HG1 LYS 6 -8.711 8.652 -2.230 47 1HD LYS 6 HD2 LYS 6 -11.258 8.239 -1.488 48 2HD LYS 6 HD1 LYS 6 -10.527 8.348 0.114 49 1HE LYS 6 HE2 LYS 6 -9.953 10.560 -0.144 50 2HE LYS 6 HE1 LYS 6 -9.707 10.402 -1.883 51 1HZ LYS 6 HZ1 LYS 6 -12.382 9.890 -1.436 52 2HZ LYS 6 HZ2 LYS 6 -11.708 11.277 -2.149 53 3HZ LYS 6 HZ3 LYS 6 -12.019 11.242 -0.479 54 H LEU 7 HN LEU 7 -8.988 3.294 -1.232 55 HA LEU 7 HA LEU 7 -8.460 2.318 -4.002 56 1HB LEU 7 HB2 LEU 7 -8.752 0.036 -2.541 57 2HB LEU 7 HB1 LEU 7 -7.205 0.782 -2.896 58 HG LEU 7 HG LEU 7 -7.477 0.200 -0.499 59 1HD1 LEU 7 HD11 LEU 7 -6.083 1.912 -0.130 60 2HD1 LEU 7 HD12 LEU 7 -7.447 3.027 -0.070 61 3HD1 LEU 7 HD13 LEU 7 -6.655 2.686 -1.607 62 1HD2 LEU 7 HD21 LEU 7 -9.553 0.465 0.342 63 2HD2 LEU 7 HD22 LEU 7 -10.005 1.614 -0.915 64 3HD2 LEU 7 HD23 LEU 7 -9.139 2.170 0.515 65 H GLY 8 HN GLY 8 -10.676 3.267 -4.462 66 1HA GLY 8 HA2 GLY 8 -12.611 1.320 -4.863 67 2HA GLY 8 HA1 GLY 8 -12.994 1.977 -3.272 68 H SER 9 HN SER 9 -12.480 2.929 -6.663 69 HA SER 9 HA SER 9 -13.225 5.615 -6.572 70 1HB SER 9 HB2 SER 9 -14.398 5.027 -8.856 71 2HB SER 9 HB1 SER 9 -12.649 4.883 -8.711 72 HG SER 9 HG SER 9 -14.456 2.760 -8.192 73 H ASP 10 HN ASP 10 -15.252 2.766 -6.228 74 HA ASP 10 HA ASP 10 -17.427 2.617 -5.324 75 1HB ASP 10 HB2 ASP 10 -16.555 4.948 -4.260 76 2HB ASP 10 HB1 ASP 10 -17.851 5.557 -5.291 77 H LYS 11 HN LYS 11 -16.604 3.271 -8.245 78 HA LYS 11 HA LYS 11 -19.397 3.786 -9.160 79 1HB LYS 11 HB2 LYS 11 -16.889 5.227 -9.926 80 2HB LYS 11 HB1 LYS 11 -18.111 4.960 -11.169 81 1HG LYS 11 HG2 LYS 11 -19.770 6.150 -9.941 82 2HG LYS 11 HG1 LYS 11 -18.796 6.134 -8.470 83 1HD LYS 11 HD2 LYS 11 -17.051 7.462 -9.823 84 2HD LYS 11 HD1 LYS 11 -18.345 7.731 -10.992 85 1HE LYS 11 HE2 LYS 11 -19.024 9.459 -9.716 86 2HE LYS 11 HE1 LYS 11 -19.500 8.281 -8.494 87 1HZ LYS 11 HZ1 LYS 11 -17.431 8.466 -7.426 88 2HZ LYS 11 HZ2 LYS 11 -17.905 10.063 -7.759 89 3HZ LYS 11 HZ3 LYS 11 -16.731 9.303 -8.724 90 H GLY 12 HN GLY 12 -17.050 1.570 -9.021 91 1HA GLY 12 HA2 GLY 12 -18.088 0.020 -11.209 92 2HA GLY 12 HA1 GLY 12 -16.519 0.697 -11.644 93 H LEU 13 HN LEU 13 -14.685 0.186 -10.187 94 HA LEU 13 HA LEU 13 -15.126 -2.312 -8.607 95 1HB LEU 13 HB2 LEU 13 -13.515 -1.934 -11.005 96 2HB LEU 13 HB1 LEU 13 -12.542 -2.508 -9.650 97 HG LEU 13 HG LEU 13 -14.831 -4.046 -9.447 98 1HD1 LEU 13 HD11 LEU 13 -14.442 -3.156 -12.238 99 2HD1 LEU 13 HD12 LEU 13 -15.873 -3.833 -11.462 100 3HD1 LEU 13 HD13 LEU 13 -14.594 -4.901 -12.037 101 1HD2 LEU 13 HD21 LEU 13 -13.356 -5.846 -10.407 102 2HD2 LEU 13 HD22 LEU 13 -12.566 -4.879 -9.162 103 3HD2 LEU 13 HD23 LEU 13 -12.203 -4.592 -10.864 104 H LEU 14 HN LEU 14 -12.654 -2.722 -7.606 105 HA LEU 14 HA LEU 14 -12.132 -0.211 -6.078 106 1HB LEU 14 HB2 LEU 14 -11.383 -3.065 -5.367 107 2HB LEU 14 HB1 LEU 14 -11.228 -1.649 -4.329 108 HG LEU 14 HG LEU 14 -13.916 -2.288 -5.481 109 1HD1 LEU 14 HD11 LEU 14 -13.304 -3.468 -2.836 110 2HD1 LEU 14 HD12 LEU 14 -12.561 -4.285 -4.211 111 3HD1 LEU 14 HD13 LEU 14 -14.313 -4.093 -4.141 112 1HD2 LEU 14 HD21 LEU 14 -12.769 -0.506 -3.545 113 2HD2 LEU 14 HD22 LEU 14 -13.903 -1.575 -2.719 114 3HD2 LEU 14 HD23 LEU 14 -14.446 -0.600 -4.084 115 H VAL 15 HN VAL 15 -10.209 0.806 -6.455 116 HA VAL 15 HA VAL 15 -7.822 -0.742 -7.191 117 HB VAL 15 HB VAL 15 -7.561 0.933 -9.220 118 1HG1 VAL 15 1HG1 VAL 15 -9.497 -1.371 -9.513 119 2HG1 VAL 15 2HG1 VAL 15 -7.778 -1.622 -9.208 120 3HG1 VAL 15 3HG1 VAL 15 -8.302 -0.800 -10.678 121 1HG2 VAL 15 1HG2 VAL 15 -9.878 1.926 -8.442 122 2HG2 VAL 15 2HG2 VAL 15 -10.539 0.560 -9.341 123 3HG2 VAL 15 3HG2 VAL 15 -9.531 1.751 -10.162 124 H PHE 16 HN PHE 16 -5.987 0.329 -6.485 125 HA PHE 16 HA PHE 16 -6.151 2.549 -4.756 126 1HB PHE 16 HB2 PHE 16 -3.909 1.328 -6.342 127 2HB PHE 16 HB1 PHE 16 -3.636 2.841 -5.480 128 HD1 PHE 16 HD1 PHE 16 -2.428 2.387 -3.534 129 HD2 PHE 16 HD2 PHE 16 -5.680 -0.191 -4.645 130 HE1 PHE 16 HE1 PHE 16 -2.150 1.125 -1.418 131 HE2 PHE 16 HE2 PHE 16 -5.402 -1.452 -2.527 132 HZ PHE 16 HZ PHE 16 -3.634 -0.796 -0.914 133 H GLU 17 HN GLU 17 -5.439 4.797 -5.126 134 HA GLU 17 HA GLU 17 -5.383 5.699 -7.935 135 1HB GLU 17 HB2 GLU 17 -7.636 6.192 -6.034 136 2HB GLU 17 HB1 GLU 17 -7.164 7.501 -7.118 137 1HG GLU 17 HG2 GLU 17 -7.182 5.286 -8.785 138 2HG GLU 17 HG1 GLU 17 -8.562 5.002 -7.724 139 HA PRO 18 HA PRO 18 -4.139 6.546 -8.933 140 1HB PRO 18 HB2 PRO 18 -1.458 7.012 -9.289 141 2HB PRO 18 HB1 PRO 18 -2.706 8.232 -9.580 142 1HG PRO 18 HG2 PRO 18 -0.770 8.016 -7.330 143 2HG PRO 18 HG1 PRO 18 -1.581 9.450 -7.979 144 1HD PRO 18 HD2 PRO 18 -2.294 8.054 -5.624 145 2HD PRO 18 HD1 PRO 18 -3.264 9.294 -6.446 146 H ALA 19 HN ALA 19 -2.801 4.700 -9.849 147 HA ALA 19 HA ALA 19 -2.430 2.621 -7.882 148 1HB ALA 19 HB1 ALA 19 -2.005 1.197 -9.697 149 2HB ALA 19 HB2 ALA 19 -1.284 2.485 -10.661 150 3HB ALA 19 HB3 ALA 19 -3.030 2.435 -10.424 151 H LYS 20 HN LYS 20 -0.124 4.317 -10.033 152 HA LYS 20 HA LYS 20 2.138 3.305 -8.439 153 1HB LYS 20 HB2 LYS 20 1.938 5.091 -10.878 154 2HB LYS 20 HB1 LYS 20 3.469 4.726 -10.083 155 1HG LYS 20 HG2 LYS 20 2.605 2.225 -10.317 156 2HG LYS 20 HG1 LYS 20 1.663 2.917 -11.639 157 1HD LYS 20 HD2 LYS 20 4.652 3.304 -11.338 158 2HD LYS 20 HD1 LYS 20 3.929 2.036 -12.329 159 1HE LYS 20 HE2 LYS 20 2.977 4.841 -12.735 160 2HE LYS 20 HE1 LYS 20 4.564 4.406 -13.371 161 1HZ LYS 20 HZ1 LYS 20 3.458 3.579 -15.097 162 2HZ LYS 20 HZ2 LYS 20 1.961 3.654 -14.297 163 3HZ LYS 20 HZ3 LYS 20 2.979 2.311 -14.076 164 H LEU 21 HN LEU 21 3.698 4.856 -7.462 165 HA LEU 21 HA LEU 21 2.769 7.601 -7.016 166 1HB LEU 21 HB2 LEU 21 2.121 5.487 -5.152 167 2HB LEU 21 HB1 LEU 21 3.182 6.670 -4.388 168 HG LEU 21 HG LEU 21 1.198 8.027 -5.983 169 1HD1 LEU 21 HD11 LEU 21 0.134 6.163 -3.838 170 2HD1 LEU 21 HD12 LEU 21 -0.139 5.975 -5.570 171 3HD1 LEU 21 HD13 LEU 21 -0.803 7.370 -4.719 172 1HD2 LEU 21 HD21 LEU 21 2.085 9.321 -4.290 173 2HD2 LEU 21 HD22 LEU 21 2.218 7.959 -3.178 174 3HD2 LEU 21 HD23 LEU 21 0.653 8.726 -3.450 175 H THR 22 HN THR 22 4.548 8.871 -6.826 176 HA THR 22 HA THR 22 7.153 7.535 -6.289 177 HB THR 22 HB THR 22 6.565 10.305 -7.380 178 HG1 THR 22 HG1 THR 22 7.707 8.255 -8.876 179 1HG2 THR 22 1HG2 THR 22 9.174 8.850 -7.638 180 2HG2 THR 22 2HG2 THR 22 8.807 9.698 -6.136 181 3HG2 THR 22 3HG2 THR 22 8.856 10.584 -7.659 182 H ILE 23 HN ILE 23 6.993 7.436 -3.983 183 HA ILE 23 HA ILE 23 6.692 10.014 -2.562 184 HB ILE 23 HB ILE 23 6.646 8.547 -0.512 185 1HG1 ILE 23 2HG1 ILE 23 5.993 6.104 -1.876 186 2HG1 ILE 23 1HG1 ILE 23 7.588 6.636 -2.406 187 1HG2 ILE 23 1HG2 ILE 23 4.586 7.512 -2.410 188 2HG2 ILE 23 2HG2 ILE 23 4.656 9.249 -2.115 189 3HG2 ILE 23 3HG2 ILE 23 4.389 8.136 -0.773 190 1HD1 ILE 23 HD11 ILE 23 6.794 6.512 0.513 191 2HD1 ILE 23 HD12 ILE 23 8.415 6.705 -0.157 192 3HD1 ILE 23 HD13 ILE 23 7.569 5.167 -0.326 193 H LYS 24 HN LYS 24 8.220 10.360 -0.694 194 HA LYS 24 HA LYS 24 10.964 9.854 -1.635 195 1HB LYS 24 HB2 LYS 24 9.631 11.842 0.041 196 2HB LYS 24 HB1 LYS 24 11.120 11.250 0.775 197 1HG LYS 24 HG2 LYS 24 12.405 12.322 -0.745 198 2HG LYS 24 HG1 LYS 24 11.420 11.743 -2.090 199 1HD LYS 24 HD2 LYS 24 9.944 13.687 -0.535 200 2HD LYS 24 HD1 LYS 24 11.491 14.361 -1.048 201 1HE LYS 24 HE2 LYS 24 11.016 14.029 -3.335 202 2HE LYS 24 HE1 LYS 24 9.736 12.865 -2.991 203 1HZ LYS 24 HZ1 LYS 24 9.127 15.280 -3.634 204 2HZ LYS 24 HZ2 LYS 24 9.499 15.631 -2.014 205 3HZ LYS 24 HZ3 LYS 24 8.274 14.514 -2.384 206 HA PRO 25 HA PRO 25 11.886 6.795 1.358 207 1HB PRO 25 HB2 PRO 25 14.334 7.579 2.341 208 2HB PRO 25 HB1 PRO 25 14.101 6.886 0.727 209 1HG PRO 25 HG2 PRO 25 14.611 9.723 1.496 210 2HG PRO 25 HG1 PRO 25 14.998 8.883 -0.014 211 1HD PRO 25 HD2 PRO 25 12.826 10.646 0.379 212 2HD PRO 25 HD1 PRO 25 13.023 9.530 -0.989 213 H GLY 26 HN GLY 26 10.105 7.490 2.838 214 1HA GLY 26 HA2 GLY 26 10.346 7.468 5.450 215 2HA GLY 26 HA1 GLY 26 11.041 9.068 5.191 216 H ASP 27 HN ASP 27 9.147 9.535 2.897 217 HA ASP 27 HA ASP 27 7.188 11.066 4.109 218 1HB ASP 27 HB2 ASP 27 6.788 9.391 1.611 219 2HB ASP 27 HB1 ASP 27 5.855 10.818 2.062 220 H THR 28 HN THR 28 4.792 10.600 4.311 221 HA THR 28 HA THR 28 4.414 7.874 5.436 222 HB THR 28 HB THR 28 2.926 10.433 6.086 223 HG1 THR 28 HG1 THR 28 4.193 10.535 7.831 224 1HG2 THR 28 1HG2 THR 28 1.452 8.614 6.484 225 2HG2 THR 28 2HG2 THR 28 2.169 8.972 8.055 226 3HG2 THR 28 3HG2 THR 28 2.751 7.599 7.112 227 H VAL 29 HN VAL 29 3.169 6.586 4.167 228 HA VAL 29 HA VAL 29 1.292 7.853 2.263 229 HB VAL 29 HB VAL 29 1.941 4.915 2.391 230 1HG1 VAL 29 1HG1 VAL 29 0.108 5.793 0.913 231 2HG1 VAL 29 2HG1 VAL 29 1.409 4.997 0.027 232 3HG1 VAL 29 3HG1 VAL 29 1.317 6.758 0.066 233 1HG2 VAL 29 1HG2 VAL 29 3.595 7.166 1.227 234 2HG2 VAL 29 2HG2 VAL 29 3.741 5.501 0.665 235 3HG2 VAL 29 3HG2 VAL 29 4.116 5.901 2.341 236 H GLU 30 HN GLU 30 -0.849 7.883 2.782 237 HA GLU 30 HA GLU 30 -1.764 6.146 4.995 238 1HB GLU 30 HB2 GLU 30 -2.189 8.832 4.475 239 2HB GLU 30 HB1 GLU 30 -3.694 8.080 3.946 240 1HG GLU 30 HG2 GLU 30 -2.850 6.883 6.427 241 2HG GLU 30 HG1 GLU 30 -2.895 8.638 6.606 242 H PHE 31 HN PHE 31 -3.065 4.437 4.590 243 HA PHE 31 HA PHE 31 -4.542 4.365 1.992 244 1HB PHE 31 HB2 PHE 31 -3.802 1.716 2.987 245 2HB PHE 31 HB1 PHE 31 -3.591 2.401 1.378 246 HD1 PHE 31 HD1 PHE 31 -1.448 3.069 0.630 247 HD2 PHE 31 HD2 PHE 31 -2.131 2.437 4.825 248 HE1 PHE 31 HE1 PHE 31 0.974 3.336 1.067 249 HE2 PHE 31 HE2 PHE 31 0.291 2.706 5.259 250 HZ PHE 31 HZ PHE 31 1.844 3.157 3.382 251 H LEU 32 HN LEU 32 -6.637 3.392 2.150 252 HA LEU 32 HA LEU 32 -7.435 2.415 4.823 253 1HB LEU 32 HB2 LEU 32 -9.609 3.808 4.506 254 2HB LEU 32 HB1 LEU 32 -8.165 4.626 5.086 255 HG LEU 32 HG LEU 32 -9.424 5.842 3.266 256 1HD1 LEU 32 HD11 LEU 32 -7.445 6.830 2.897 257 2HD1 LEU 32 HD12 LEU 32 -6.935 5.485 1.877 258 3HD1 LEU 32 HD13 LEU 32 -6.639 5.435 3.615 259 1HD2 LEU 32 HD21 LEU 32 -9.529 5.005 1.088 260 2HD2 LEU 32 HD22 LEU 32 -9.799 3.552 2.050 261 3HD2 LEU 32 HD23 LEU 32 -8.212 3.869 1.355 262 H ASN 33 HN ASN 33 -10.147 2.059 4.389 263 HA ASN 33 HA ASN 33 -10.134 0.157 2.082 264 1HB ASN 33 HB2 ASN 33 -11.247 -1.407 3.362 265 2HB ASN 33 HB1 ASN 33 -10.396 -0.571 4.650 266 1HD2 ASN 33 HD21 ASN 33 -12.935 -1.998 4.894 267 2HD2 ASN 33 HD22 ASN 33 -14.058 -0.855 5.428 268 H ASN 34 HN ASN 34 -12.264 -0.138 1.016 269 HA ASN 34 HA ASN 34 -13.788 2.429 1.004 270 1HB ASN 34 HB2 ASN 34 -12.664 1.238 -1.107 271 2HB ASN 34 HB1 ASN 34 -14.179 0.334 -1.094 272 1HD2 ASN 34 HD21 ASN 34 -15.605 1.294 -2.550 273 2HD2 ASN 34 HD22 ASN 34 -15.825 2.966 -2.738 274 H LYS 35 HN LYS 35 -16.079 1.199 -0.364 275 HA LYS 35 HA LYS 35 -17.352 0.027 2.037 276 1HB LYS 35 HB2 LYS 35 -19.460 0.503 0.994 277 2HB LYS 35 HB1 LYS 35 -18.439 1.912 0.715 278 1HG LYS 35 HG2 LYS 35 -18.043 1.317 -1.545 279 2HG LYS 35 HG1 LYS 35 -18.614 -0.334 -1.298 280 1HD LYS 35 HD2 LYS 35 -20.570 1.802 -0.668 281 2HD LYS 35 HD1 LYS 35 -20.155 1.629 -2.373 282 1HE LYS 35 HE2 LYS 35 -20.622 -0.837 -2.160 283 2HE LYS 35 HE1 LYS 35 -21.216 -0.529 -0.528 284 1HZ LYS 35 HZ1 LYS 35 -23.163 -0.112 -1.484 285 2HZ LYS 35 HZ2 LYS 35 -22.491 -0.060 -3.044 286 3HZ LYS 35 HZ3 LYS 35 -22.485 1.329 -2.067 287 H VAL 36 HN VAL 36 -15.436 -1.444 0.365 288 HA VAL 36 HA VAL 36 -17.142 -3.824 -0.124 289 HB VAL 36 HB VAL 36 -14.968 -3.081 -2.083 290 1HG1 VAL 36 1HG1 VAL 36 -17.324 -4.527 -3.015 291 2HG1 VAL 36 2HG1 VAL 36 -16.531 -5.354 -1.675 292 3HG1 VAL 36 3HG1 VAL 36 -15.622 -4.970 -3.136 293 1HG2 VAL 36 1HG2 VAL 36 -17.919 -2.468 -2.408 294 2HG2 VAL 36 2HG2 VAL 36 -16.613 -2.043 -3.513 295 3HG2 VAL 36 3HG2 VAL 36 -16.724 -1.259 -1.937 296 HA PRO 37 HA PRO 37 -13.125 -4.483 2.171 297 1HB PRO 37 HB2 PRO 37 -14.288 -5.151 4.574 298 2HB PRO 37 HB1 PRO 37 -13.839 -3.495 4.131 299 1HG PRO 37 HG2 PRO 37 -16.543 -4.747 4.246 300 2HG PRO 37 HG1 PRO 37 -16.083 -3.048 4.449 301 1HD PRO 37 HD2 PRO 37 -17.205 -4.188 2.121 302 2HD PRO 37 HD1 PRO 37 -16.422 -2.598 2.234 303 HA PRO 38 HA PRO 38 -12.520 -5.498 4.249 304 1HB PRO 38 HB2 PRO 38 -10.789 -7.484 4.972 305 2HB PRO 38 HB1 PRO 38 -12.379 -7.275 5.725 306 1HG PRO 38 HG2 PRO 38 -11.485 -9.370 3.822 307 2HG PRO 38 HG1 PRO 38 -12.827 -9.405 4.976 308 1HD PRO 38 HD2 PRO 38 -12.991 -8.932 2.152 309 2HD PRO 38 HD1 PRO 38 -14.314 -8.845 3.335 310 H HIS 39 HN HIS 39 -10.278 -4.777 4.108 311 HA HIS 39 HA HIS 39 -8.931 -5.576 1.557 312 1HB HIS 39 HB2 HIS 39 -9.005 -2.878 2.939 313 2HB HIS 39 HB1 HIS 39 -7.960 -3.256 1.570 314 HD2 HIS 39 HD2 HIS 39 -11.851 -3.010 2.293 315 HE1 HIS 39 HE1 HIS 39 -11.228 -2.776 -1.873 316 HE2 HIS 39 HE2 HIS 39 -12.965 -2.731 -0.042 317 H ASN 40 HN ASN 40 -6.575 -5.528 1.628 318 HA ASN 40 HA ASN 40 -5.383 -5.492 4.351 319 1HB ASN 40 HB2 ASN 40 -6.045 -7.877 3.271 320 2HB ASN 40 HB1 ASN 40 -4.461 -7.656 2.527 321 1HD2 ASN 40 HD21 ASN 40 -3.383 -9.258 3.847 322 2HD2 ASN 40 HD22 ASN 40 -3.137 -9.039 5.512 323 H VAL 41 HN VAL 41 -3.803 -3.989 4.174 324 HA VAL 41 HA VAL 41 -2.417 -3.661 1.562 325 HB VAL 41 HB VAL 41 -2.815 -1.925 3.990 326 1HG1 VAL 41 1HG1 VAL 41 -0.466 -1.950 2.166 327 2HG1 VAL 41 2HG1 VAL 41 -0.595 -1.375 3.829 328 3HG1 VAL 41 3HG1 VAL 41 -1.182 -0.373 2.501 329 1HG2 VAL 41 1HG2 VAL 41 -3.963 -0.578 2.538 330 2HG2 VAL 41 2HG2 VAL 41 -4.118 -2.077 1.623 331 3HG2 VAL 41 3HG2 VAL 41 -2.865 -0.910 1.199 332 H VAL 42 HN VAL 42 -0.430 -4.590 1.337 333 HA VAL 42 HA VAL 42 1.448 -4.586 3.575 334 HB VAL 42 HB VAL 42 1.758 -7.190 3.116 335 1HG1 VAL 42 1HG1 VAL 42 0.442 -7.624 5.104 336 2HG1 VAL 42 2HG1 VAL 42 -0.495 -6.150 4.858 337 3HG1 VAL 42 3HG1 VAL 42 1.213 -6.050 5.287 338 1HG2 VAL 42 1HG2 VAL 42 -0.338 -6.812 1.471 339 2HG2 VAL 42 2HG2 VAL 42 -1.219 -7.127 2.965 340 3HG2 VAL 42 3HG2 VAL 42 -0.088 -8.326 2.340 341 H PHE 43 HN PHE 43 3.541 -4.698 2.897 342 HA PHE 43 HA PHE 43 3.979 -4.516 -0.009 343 1HB PHE 43 HB2 PHE 43 6.151 -4.449 2.077 344 2HB PHE 43 HB1 PHE 43 6.070 -3.590 0.533 345 HD1 PHE 43 HD1 PHE 43 4.349 -1.733 0.261 346 HD2 PHE 43 HD2 PHE 43 5.279 -3.533 4.047 347 HE1 PHE 43 HE1 PHE 43 3.308 0.190 1.437 348 HE2 PHE 43 HE2 PHE 43 4.244 -1.607 5.202 349 HZ PHE 43 HZ PHE 43 3.269 0.227 3.922 350 H ASP 44 HN ASP 44 4.478 -6.275 -1.202 351 HA ASP 44 HA ASP 44 4.747 -8.894 -0.324 352 1HB ASP 44 HB2 ASP 44 4.623 -8.037 -2.732 353 2HB ASP 44 HB1 ASP 44 6.368 -7.798 -2.632 354 H ALA 45 HN ALA 45 6.833 -10.255 -0.398 355 HA ALA 45 HA ALA 45 8.941 -8.791 1.096 356 1HB ALA 45 HB1 ALA 45 9.511 -10.902 2.135 357 2HB ALA 45 HB2 ALA 45 8.425 -11.773 1.053 358 3HB ALA 45 HB3 ALA 45 7.767 -10.679 2.270 359 H ALA 46 HN ALA 46 8.285 -10.445 -1.836 360 HA ALA 46 HA ALA 46 11.223 -10.668 -2.367 361 1HB ALA 46 HB1 ALA 46 8.931 -12.178 -3.659 362 2HB ALA 46 HB2 ALA 46 10.051 -12.836 -2.467 363 3HB ALA 46 HB3 ALA 46 10.638 -12.366 -4.062 364 H LEU 47 HN LEU 47 8.338 -9.043 -3.198 365 HA LEU 47 HA LEU 47 9.333 -8.289 -5.887 366 1HB LEU 47 HB2 LEU 47 6.741 -8.203 -4.471 367 2HB LEU 47 HB1 LEU 47 7.068 -6.804 -5.494 368 HG LEU 47 HG LEU 47 5.913 -8.652 -6.721 369 1HD1 LEU 47 HD11 LEU 47 8.106 -8.866 -8.370 370 2HD1 LEU 47 HD12 LEU 47 8.489 -7.420 -7.436 371 3HD1 LEU 47 HD13 LEU 47 6.987 -7.503 -8.357 372 1HD2 LEU 47 HD21 LEU 47 8.494 -10.189 -6.608 373 2HD2 LEU 47 HD22 LEU 47 6.870 -10.768 -6.978 374 3HD2 LEU 47 HD23 LEU 47 7.312 -10.388 -5.314 375 H ASN 48 HN ASN 48 11.063 -7.403 -3.951 376 HA ASN 48 HA ASN 48 10.504 -4.465 -3.910 377 1HB ASN 48 HB2 ASN 48 11.951 -4.541 -1.744 378 2HB ASN 48 HB1 ASN 48 10.266 -5.049 -1.637 379 1HD2 ASN 48 HD21 ASN 48 11.361 -6.247 0.340 380 2HD2 ASN 48 HD22 ASN 48 11.945 -7.809 0.023 381 HA PRO 49 HA PRO 49 14.505 -4.015 -5.657 382 1HB PRO 49 HB2 PRO 49 15.315 -1.651 -4.504 383 2HB PRO 49 HB1 PRO 49 14.100 -1.748 -5.791 384 1HG PRO 49 HG2 PRO 49 13.711 -1.246 -2.875 385 2HG PRO 49 HG1 PRO 49 12.710 -0.738 -4.247 386 1HD PRO 49 HD2 PRO 49 12.148 -2.891 -2.511 387 2HD PRO 49 HD1 PRO 49 11.374 -2.596 -4.082 388 H ALA 50 HN ALA 50 14.100 -4.403 -2.294 389 HA ALA 50 HA ALA 50 16.945 -5.233 -2.027 390 1HB ALA 50 HB1 ALA 50 16.629 -2.922 -1.051 391 2HB ALA 50 HB2 ALA 50 17.165 -4.129 0.117 392 3HB ALA 50 HB3 ALA 50 15.475 -3.624 0.083 393 H LYS 51 HN LYS 51 15.795 -7.338 -2.323 394 HA LYS 51 HA LYS 51 13.762 -8.453 -0.860 395 1HB LYS 51 HB2 LYS 51 14.989 -9.780 -2.476 396 2HB LYS 51 HB1 LYS 51 16.445 -9.720 -1.481 397 1HG LYS 51 HG2 LYS 51 15.068 -10.836 0.359 398 2HG LYS 51 HG1 LYS 51 13.841 -11.135 -0.873 399 1HD LYS 51 HD2 LYS 51 16.527 -11.887 -1.757 400 2HD LYS 51 HD1 LYS 51 16.007 -12.778 -0.327 401 1HE LYS 51 HE2 LYS 51 14.968 -14.120 -1.849 402 2HE LYS 51 HE1 LYS 51 13.732 -12.863 -1.818 403 1HZ LYS 51 HZ1 LYS 51 14.324 -13.280 -4.073 404 2HZ LYS 51 HZ2 LYS 51 15.982 -13.114 -3.736 405 3HZ LYS 51 HZ3 LYS 51 14.955 -11.763 -3.651 406 H SER 52 HN SER 52 13.547 -7.605 1.243 407 HA SER 52 HA SER 52 15.442 -8.768 3.217 408 1HB SER 52 HB2 SER 52 14.435 -5.948 3.554 409 2HB SER 52 HB1 SER 52 15.789 -6.736 4.358 410 HG SER 52 HG SER 52 16.729 -5.537 2.809 411 H ALA 53 HN ALA 53 14.469 -9.054 5.327 412 HA ALA 53 HA ALA 53 11.481 -8.896 5.267 413 1HB ALA 53 HB1 ALA 53 12.511 -10.820 7.174 414 2HB ALA 53 HB2 ALA 53 13.123 -11.165 5.557 415 3HB ALA 53 HB3 ALA 53 11.385 -11.075 5.841 416 H ASP 54 HN ASP 54 12.041 -6.665 6.200 417 HA ASP 54 HA ASP 54 11.705 -6.755 9.070 418 1HB ASP 54 HB2 ASP 54 14.303 -7.010 8.418 419 2HB ASP 54 HB1 ASP 54 14.175 -5.252 8.355 420 H LEU 55 HN LEU 55 12.543 -4.806 6.219 421 HA LEU 55 HA LEU 55 11.549 -2.347 7.436 422 1HB LEU 55 HB2 LEU 55 12.246 -1.278 5.491 423 2HB LEU 55 HB1 LEU 55 13.304 -2.685 5.489 424 HG LEU 55 HG LEU 55 11.321 -3.787 4.126 425 1HD1 LEU 55 HD11 LEU 55 9.632 -2.254 3.926 426 2HD1 LEU 55 HD12 LEU 55 10.613 -1.667 2.583 427 3HD1 LEU 55 HD13 LEU 55 10.715 -0.881 4.158 428 1HD2 LEU 55 HD21 LEU 55 13.781 -2.761 3.489 429 2HD2 LEU 55 HD22 LEU 55 12.730 -1.821 2.429 430 3HD2 LEU 55 HD23 LEU 55 12.724 -3.582 2.340 431 H ALA 56 HN ALA 56 10.054 -5.062 6.137 432 HA ALA 56 HA ALA 56 7.637 -3.472 5.382 433 1HB ALA 56 HB1 ALA 56 7.756 -4.744 3.512 434 2HB ALA 56 HB2 ALA 56 7.178 -6.065 4.528 435 3HB ALA 56 HB3 ALA 56 8.907 -5.860 4.248 436 H LYS 57 HN LYS 57 8.720 -6.397 7.117 437 HA LYS 57 HA LYS 57 6.344 -7.371 8.137 438 1HB LYS 57 HB2 LYS 57 8.695 -8.193 8.664 439 2HB LYS 57 HB1 LYS 57 8.772 -6.926 9.890 440 1HG LYS 57 HG2 LYS 57 6.670 -7.860 10.899 441 2HG LYS 57 HG1 LYS 57 6.771 -9.199 9.755 442 1HD LYS 57 HD2 LYS 57 8.792 -10.002 10.699 443 2HD LYS 57 HD1 LYS 57 9.078 -8.494 11.570 444 1HE LYS 57 HE2 LYS 57 8.281 -10.064 13.195 445 2HE LYS 57 HE1 LYS 57 6.936 -8.973 12.860 446 1HZ LYS 57 HZ1 LYS 57 5.752 -10.750 12.328 447 2HZ LYS 57 HZ2 LYS 57 7.101 -11.773 12.470 448 3HZ LYS 57 HZ3 LYS 57 6.768 -11.000 10.994 449 H SER 58 HN SER 58 8.202 -4.639 9.505 450 HA SER 58 HA SER 58 5.865 -3.992 11.223 451 1HB SER 58 HB2 SER 58 8.774 -3.380 11.288 452 2HB SER 58 HB1 SER 58 7.697 -2.132 11.906 453 HG SER 58 HG SER 58 7.242 -4.784 12.667 454 H LEU 59 HN LEU 59 6.024 -3.519 8.233 455 HA LEU 59 HA LEU 59 5.867 -0.541 8.219 456 1HB LEU 59 HB2 LEU 59 7.294 -1.824 6.510 457 2HB LEU 59 HB1 LEU 59 5.780 -2.327 5.785 458 HG LEU 59 HG LEU 59 5.132 0.025 5.486 459 1HD1 LEU 59 HD11 LEU 59 7.057 1.714 5.912 460 2HD1 LEU 59 HD12 LEU 59 7.709 0.472 6.980 461 3HD1 LEU 59 HD13 LEU 59 6.117 1.160 7.297 462 1HD2 LEU 59 HD21 LEU 59 7.610 -1.129 4.349 463 2HD2 LEU 59 HD22 LEU 59 7.445 0.615 4.147 464 3HD2 LEU 59 HD23 LEU 59 6.199 -0.466 3.524 465 H SER 60 HN SER 60 4.137 -3.253 6.619 466 HA SER 60 HA SER 60 1.716 -1.600 6.503 467 1HB SER 60 HB2 SER 60 2.733 -3.904 5.139 468 2HB SER 60 HB1 SER 60 1.132 -4.266 5.777 469 HG SER 60 HG SER 60 1.813 -1.936 4.299 470 H HIS 61 HN HIS 61 -0.304 -3.391 6.876 471 HA HIS 61 HA HIS 61 -0.034 -4.161 9.753 472 1HB HIS 61 HB2 HIS 61 -2.311 -3.470 10.103 473 2HB HIS 61 HB1 HIS 61 -1.511 -2.154 9.242 474 HD1 HIS 61 HD1 HIS 61 -3.729 -5.169 8.516 475 HD2 HIS 61 HD2 HIS 61 -2.711 -1.488 6.829 476 HE1 HIS 61 HE1 HIS 61 -5.233 -4.856 6.498 477 H LYS 62 HN LYS 62 -0.861 -6.199 10.313 478 HA LYS 62 HA LYS 62 -1.368 -8.018 8.054 479 1HB LYS 62 HB2 LYS 62 -0.906 -8.366 11.009 480 2HB LYS 62 HB1 LYS 62 -1.565 -9.694 10.053 481 1HG LYS 62 HG2 LYS 62 0.701 -10.122 9.828 482 2HG LYS 62 HG1 LYS 62 0.444 -9.078 8.429 483 1HD LYS 62 HD2 LYS 62 1.115 -7.116 9.824 484 2HD LYS 62 HD1 LYS 62 1.485 -8.224 11.146 485 1HE LYS 62 HE2 LYS 62 3.575 -8.172 10.212 486 2HE LYS 62 HE1 LYS 62 2.886 -9.412 9.163 487 1HZ LYS 62 HZ1 LYS 62 2.184 -7.536 7.677 488 2HZ LYS 62 HZ2 LYS 62 3.858 -7.810 7.762 489 3HZ LYS 62 HZ3 LYS 62 3.162 -6.514 8.613 490 H GLN 63 HN GLN 63 -3.107 -6.813 10.916 491 HA GLN 63 HA GLN 63 -5.449 -8.305 10.800 492 1HB GLN 63 HB2 GLN 63 -6.606 -6.118 11.519 493 2HB GLN 63 HB1 GLN 63 -5.278 -6.687 12.532 494 1HG GLN 63 HG2 GLN 63 -4.093 -4.818 12.123 495 2HG GLN 63 HG1 GLN 63 -4.252 -5.048 10.382 496 1HE2 GLN 63 1HE2 GLN 63 -7.018 -4.775 10.009 497 2HE2 GLN 63 2HE2 GLN 63 -7.506 -3.215 10.467 498 H LEU 64 HN LEU 64 -7.596 -7.690 9.829 499 HA LEU 64 HA LEU 64 -7.185 -6.856 7.005 500 1HB LEU 64 HB2 LEU 64 -9.691 -8.015 8.250 501 2HB LEU 64 HB1 LEU 64 -9.285 -7.924 6.535 502 HG LEU 64 HG LEU 64 -7.193 -9.335 7.211 503 1HD1 LEU 64 HD11 LEU 64 -8.261 -10.914 9.153 504 2HD1 LEU 64 HD12 LEU 64 -8.866 -9.336 9.656 505 3HD1 LEU 64 HD13 LEU 64 -7.131 -9.599 9.478 506 1HD2 LEU 64 HD21 LEU 64 -8.594 -11.435 7.020 507 2HD2 LEU 64 HD22 LEU 64 -8.914 -10.231 5.772 508 3HD2 LEU 64 HD23 LEU 64 -10.026 -10.411 7.129 509 H LEU 65 HN LEU 65 -9.404 -5.727 6.179 510 HA LEU 65 HA LEU 65 -9.918 -3.475 8.084 511 1HB LEU 65 HB2 LEU 65 -9.358 -3.526 5.144 512 2HB LEU 65 HB1 LEU 65 -10.459 -2.293 5.760 513 HG LEU 65 HG LEU 65 -8.793 -1.428 7.253 514 1HD1 LEU 65 HD11 LEU 65 -7.471 -4.043 6.666 515 2HD1 LEU 65 HD12 LEU 65 -7.628 -3.184 8.199 516 3HD1 LEU 65 HD13 LEU 65 -6.434 -2.659 7.012 517 1HD2 LEU 65 HD21 LEU 65 -7.582 -2.103 4.553 518 2HD2 LEU 65 HD22 LEU 65 -6.920 -0.904 5.665 519 3HD2 LEU 65 HD23 LEU 65 -8.518 -0.664 4.957 520 H MET 66 HN MET 66 -11.775 -4.737 8.866 521 HA MET 66 HA MET 66 -13.930 -5.354 6.977 522 1HB MET 66 HB2 MET 66 -13.242 -6.070 9.670 523 2HB MET 66 HB1 MET 66 -14.874 -5.403 9.665 524 1HG MET 66 HG2 MET 66 -15.706 -7.081 8.314 525 2HG MET 66 HG1 MET 66 -14.162 -7.338 7.504 526 1HE MET 66 HE1 MET 66 -16.522 -9.011 8.886 527 2HE MET 66 HE2 MET 66 -15.845 -10.329 9.837 528 3HE MET 66 HE3 MET 66 -15.361 -10.128 8.155 529 H SER 67 HN SER 67 -13.175 -2.845 9.351 530 HA SER 67 HA SER 67 -15.796 -1.572 9.086 531 1HB SER 67 HB2 SER 67 -14.500 -1.388 11.182 532 2HB SER 67 HB1 SER 67 -13.216 -0.551 10.315 533 HG SER 67 HG SER 67 -14.385 1.209 10.296 534 HA PRO 68 HA PRO 68 -14.785 0.841 5.543 535 1HB PRO 68 HB2 PRO 68 -16.745 2.744 5.828 536 2HB PRO 68 HB1 PRO 68 -17.055 1.097 5.251 537 1HG PRO 68 HG2 PRO 68 -17.665 2.301 7.912 538 2HG PRO 68 HG1 PRO 68 -18.469 0.962 7.076 539 1HD PRO 68 HD2 PRO 68 -16.610 0.712 9.195 540 2HD PRO 68 HD1 PRO 68 -17.161 -0.599 8.130 541 H GLY 69 HN GLY 69 -12.793 1.893 5.919 542 1HA GLY 69 HA2 GLY 69 -11.862 4.183 6.002 543 2HA GLY 69 HA1 GLY 69 -13.006 4.544 7.295 544 H GLN 70 HN GLN 70 -12.461 1.849 8.544 545 HA GLN 70 HA GLN 70 -10.410 2.675 10.363 546 1HB GLN 70 HB2 GLN 70 -12.159 0.960 10.886 547 2HB GLN 70 HB1 GLN 70 -11.348 -0.155 9.785 548 1HG GLN 70 HG2 GLN 70 -9.630 -0.548 11.237 549 2HG GLN 70 HG1 GLN 70 -9.609 1.116 11.820 550 1HE2 GLN 70 1HE2 GLN 70 -10.031 1.052 14.034 551 2HE2 GLN 70 2HE2 GLN 70 -11.255 0.130 14.763 552 H SER 71 HN SER 71 -8.376 3.071 9.542 553 HA SER 71 HA SER 71 -7.081 0.820 8.075 554 1HB SER 71 HB2 SER 71 -6.271 2.214 6.379 555 2HB SER 71 HB1 SER 71 -7.931 2.756 6.591 556 HG SER 71 HG SER 71 -5.529 3.939 7.494 557 H THR 72 HN THR 72 -4.639 2.118 7.637 558 HA THR 72 HA THR 72 -3.674 3.172 10.211 559 HB THR 72 HB THR 72 -3.504 0.815 10.689 560 HG1 THR 72 HG1 THR 72 -1.024 0.665 10.207 561 1HG2 THR 72 1HG2 THR 72 -1.806 0.177 8.347 562 2HG2 THR 72 2HG2 THR 72 -3.512 0.457 7.997 563 3HG2 THR 72 3HG2 THR 72 -3.041 -0.798 9.143 564 H SER 73 HN SER 73 -2.234 4.758 9.669 565 HA SER 73 HA SER 73 -1.238 4.948 6.925 566 1HB SER 73 HB2 SER 73 -0.622 7.115 7.470 567 2HB SER 73 HB1 SER 73 -1.880 6.851 8.674 568 HG SER 73 HG SER 73 0.823 7.164 8.974 569 H THR 74 HN THR 74 0.790 4.422 6.212 570 HA THR 74 HA THR 74 2.580 3.079 8.166 571 HB THR 74 HB THR 74 2.604 3.104 5.133 572 HG1 THR 74 HG1 THR 74 1.556 1.435 7.109 573 1HG2 THR 74 1HG2 THR 74 4.796 2.757 6.615 574 2HG2 THR 74 2HG2 THR 74 4.489 1.780 5.178 575 3HG2 THR 74 3HG2 THR 74 4.125 1.134 6.778 576 H THR 75 HN THR 75 4.123 4.373 9.028 577 HA THR 75 HA THR 75 5.004 6.800 7.630 578 HB THR 75 HB THR 75 4.785 7.024 10.002 579 HG1 THR 75 HG1 THR 75 7.234 6.996 10.543 580 1HG2 THR 75 1HG2 THR 75 4.858 5.109 11.190 581 2HG2 THR 75 2HG2 THR 75 6.613 5.285 11.180 582 3HG2 THR 75 3HG2 THR 75 5.818 4.298 9.953 583 H PHE 76 HN PHE 76 6.003 5.717 5.765 584 HA PHE 76 HA PHE 76 7.952 3.753 5.730 585 1HB PHE 76 HB2 PHE 76 7.585 6.265 4.135 586 2HB PHE 76 HB1 PHE 76 9.056 5.318 3.903 587 HD1 PHE 76 HD1 PHE 76 9.028 3.452 2.483 588 HD2 PHE 76 HD2 PHE 76 5.322 4.934 4.075 589 HE1 PHE 76 HE1 PHE 76 7.782 1.833 1.083 590 HE2 PHE 76 HE2 PHE 76 4.079 3.313 2.673 591 HZ PHE 76 HZ PHE 76 5.305 1.764 1.178 592 HA PRO 77 HA PRO 77 11.268 5.258 8.168 593 1HB PRO 77 HB2 PRO 77 13.281 3.718 7.098 594 2HB PRO 77 HB1 PRO 77 12.049 3.093 8.208 595 1HG PRO 77 HG2 PRO 77 12.287 2.713 5.257 596 2HG PRO 77 HG1 PRO 77 11.542 1.655 6.468 597 1HD PRO 77 HD2 PRO 77 10.151 3.374 4.715 598 2HD PRO 77 HD1 PRO 77 9.475 2.609 6.170 599 H ALA 78 HN ALA 78 13.514 6.235 7.910 600 HA ALA 78 HA ALA 78 13.488 8.168 5.728 601 1HB ALA 78 HB1 ALA 78 14.730 7.931 8.290 602 2HB ALA 78 HB2 ALA 78 14.690 9.336 7.224 603 3HB ALA 78 HB3 ALA 78 16.000 8.164 7.089 604 H ASP 79 HN ASP 79 14.251 5.019 5.633 605 HA ASP 79 HA ASP 79 16.735 5.352 4.044 606 1HB ASP 79 HB2 ASP 79 16.759 3.565 5.723 607 2HB ASP 79 HB1 ASP 79 15.305 2.859 5.016 608 H ALA 80 HN ALA 80 14.032 3.066 3.604 609 HA ALA 80 HA ALA 80 12.835 2.521 1.658 610 1HB ALA 80 HB1 ALA 80 12.499 5.193 2.075 611 2HB ALA 80 HB2 ALA 80 11.712 4.293 0.779 612 3HB ALA 80 HB3 ALA 80 13.192 5.195 0.453 613 HA PRO 81 HA PRO 81 16.513 1.794 -0.843 614 1HB PRO 81 HB2 PRO 81 15.526 -0.499 -2.001 615 2HB PRO 81 HB1 PRO 81 16.300 -0.456 -0.408 616 1HG PRO 81 HG2 PRO 81 13.400 -0.695 -1.083 617 2HG PRO 81 HG1 PRO 81 14.276 -1.299 0.333 618 1HD PRO 81 HD2 PRO 81 12.662 1.005 0.283 619 2HD PRO 81 HD1 PRO 81 13.862 0.617 1.534 620 H ALA 82 HN ALA 82 16.632 3.165 -2.581 621 HA ALA 82 HA ALA 82 14.596 4.066 -4.241 622 1HB ALA 82 HB1 ALA 82 17.241 3.449 -5.505 623 2HB ALA 82 HB2 ALA 82 17.193 4.602 -4.172 624 3HB ALA 82 HB3 ALA 82 16.254 4.905 -5.633 625 H GLY 83 HN GLY 83 13.120 2.763 -5.230 626 1HA GLY 83 HA2 GLY 83 13.811 1.120 -7.442 627 2HA GLY 83 HA1 GLY 83 13.581 0.072 -6.041 628 H GLU 84 HN GLU 84 11.542 -0.701 -5.878 629 HA GLU 84 HA GLU 84 9.250 1.087 -6.183 630 1HB GLU 84 HB2 GLU 84 8.216 -0.516 -7.930 631 2HB GLU 84 HB1 GLU 84 9.423 0.638 -8.499 632 1HG GLU 84 HG2 GLU 84 11.151 -1.046 -8.470 633 2HG GLU 84 HG1 GLU 84 10.083 -2.199 -7.668 634 H TYR 85 HN TYR 85 8.326 0.480 -4.261 635 HA TYR 85 HA TYR 85 8.321 -2.334 -3.414 636 1HB TYR 85 HB2 TYR 85 6.645 -0.219 -2.098 637 2HB TYR 85 HB1 TYR 85 7.529 -1.558 -1.364 638 HD1 TYR 85 HD1 TYR 85 10.157 -1.151 -2.857 639 HD2 TYR 85 HD2 TYR 85 7.557 1.592 -0.816 640 HE1 TYR 85 HE1 TYR 85 12.081 0.354 -2.429 641 HE2 TYR 85 HE2 TYR 85 9.481 3.096 -0.388 642 HH TYR 85 HH TYR 85 12.775 2.133 -1.206 643 H THR 86 HN THR 86 6.638 -3.748 -3.804 644 HA THR 86 HA THR 86 4.218 -2.575 -5.107 645 HB THR 86 HB THR 86 5.358 -5.375 -5.338 646 HG1 THR 86 HG1 THR 86 5.144 -3.499 -7.409 647 1HG2 THR 86 1HG2 THR 86 2.902 -5.295 -5.558 648 2HG2 THR 86 2HG2 THR 86 3.665 -5.644 -7.109 649 3HG2 THR 86 3HG2 THR 86 3.052 -4.025 -6.771 650 H PHE 87 HN PHE 87 2.474 -2.549 -3.806 651 HA PHE 87 HA PHE 87 2.203 -4.699 -1.784 652 1HB PHE 87 HB2 PHE 87 0.424 -2.919 -0.889 653 2HB PHE 87 HB1 PHE 87 2.129 -2.828 -0.448 654 HD1 PHE 87 HD1 PHE 87 -0.603 -1.166 -2.076 655 HD2 PHE 87 HD2 PHE 87 3.678 -1.424 -1.919 656 HE1 PHE 87 HE1 PHE 87 -0.431 1.042 -3.175 657 HE2 PHE 87 HE2 PHE 87 3.857 0.783 -3.016 658 HZ PHE 87 HZ PHE 87 1.800 2.027 -3.648 659 H TYR 88 HN TYR 88 -0.243 -5.193 -1.339 660 HA TYR 88 HA TYR 88 -2.008 -4.705 -3.611 661 1HB TYR 88 HB2 TYR 88 -2.251 -7.058 -4.254 662 2HB TYR 88 HB1 TYR 88 -0.571 -6.559 -4.434 663 HD1 TYR 88 HD1 TYR 88 -2.702 -9.028 -3.082 664 HD2 TYR 88 HD2 TYR 88 0.925 -6.877 -2.263 665 HE1 TYR 88 HE1 TYR 88 -1.992 -10.818 -1.521 666 HE2 TYR 88 HE2 TYR 88 1.634 -8.668 -0.701 667 HH TYR 88 HH TYR 88 -0.006 -11.698 -0.513 668 H CYS 89 HN CYS 89 -3.645 -7.056 -3.058 669 HA CYS 89 HA CYS 89 -4.538 -6.439 -0.271 670 1HB CYS 89 HB2 CYS 89 -5.923 -6.091 -2.806 671 2HB CYS 89 HB1 CYS 89 -6.809 -7.176 -1.737 672 H GLU 90 HN GLU 90 -5.226 -8.230 0.920 673 HA GLU 90 HA GLU 90 -4.427 -10.845 -0.042 674 1HB GLU 90 HB2 GLU 90 -4.633 -9.863 2.434 675 2HB GLU 90 HB1 GLU 90 -6.239 -10.581 2.318 676 1HG GLU 90 HG2 GLU 90 -4.615 -12.194 3.244 677 2HG GLU 90 HG1 GLU 90 -5.241 -12.743 1.689 678 HA PRO 91 HA PRO 91 -9.151 -11.528 -0.330 679 1HB PRO 91 HB2 PRO 91 -10.768 -9.318 -0.104 680 2HB PRO 91 HB1 PRO 91 -10.290 -10.326 1.274 681 1HG PRO 91 HG2 PRO 91 -9.339 -7.608 0.522 682 2HG PRO 91 HG1 PRO 91 -9.362 -8.389 2.111 683 1HD PRO 91 HD2 PRO 91 -7.106 -8.086 0.415 684 2HD PRO 91 HD1 PRO 91 -7.196 -9.085 1.880 685 H HIS 92 HN HIS 92 -9.101 -8.100 -1.396 686 HA HIS 92 HA HIS 92 -10.112 -8.772 -4.021 687 1HB HIS 92 HB2 HIS 92 -8.633 -6.218 -3.414 688 2HB HIS 92 HB1 HIS 92 -10.011 -6.467 -4.484 689 HD2 HIS 92 HD2 HIS 92 -12.537 -6.867 -3.043 690 HE1 HIS 92 HE1 HIS 92 -11.085 -5.214 0.544 691 HE2 HIS 92 HE2 HIS 92 -13.151 -6.001 -0.677 692 H ARG 93 HN ARG 93 -8.233 -10.507 -4.112 693 HA ARG 93 HA ARG 93 -5.640 -9.407 -4.949 694 1HB ARG 93 HB2 ARG 93 -6.698 -12.002 -4.155 695 2HB ARG 93 HB1 ARG 93 -5.701 -12.126 -5.605 696 1HG ARG 93 HG2 ARG 93 -4.068 -10.556 -4.249 697 2HG ARG 93 HG1 ARG 93 -4.938 -11.200 -2.856 698 1HD ARG 93 HD2 ARG 93 -3.520 -12.832 -4.984 699 2HD ARG 93 HD1 ARG 93 -2.974 -12.591 -3.325 700 HE ARG 93 HE ARG 93 -5.525 -13.660 -3.054 701 1HH1 ARG 93 HH11 ARG 93 -3.743 -14.668 -5.647 702 2HH1 ARG 93 HH12 ARG 93 -3.510 -16.298 -5.111 703 1HH2 ARG 93 HH21 ARG 93 -4.738 -15.706 -1.922 704 2HH2 ARG 93 HH22 ARG 93 -4.073 -16.886 -3.002 705 H GLY 94 HN GLY 94 -8.618 -10.013 -6.440 706 1HA GLY 94 HA2 GLY 94 -7.272 -10.103 -9.113 707 2HA GLY 94 HA1 GLY 94 -8.787 -10.948 -8.794 708 H ALA 95 HN ALA 95 -7.598 -7.633 -8.122 709 HA ALA 95 HA ALA 95 -9.746 -6.535 -9.821 710 1HB ALA 95 HB1 ALA 95 -11.154 -6.160 -8.100 711 2HB ALA 95 HB2 ALA 95 -9.965 -5.022 -7.466 712 3HB ALA 95 HB3 ALA 95 -9.950 -6.702 -6.929 713 H GLY 96 HN GLY 96 -6.899 -6.471 -10.043 714 1HA GLY 96 HA2 GLY 96 -5.110 -4.965 -10.284 715 2HA GLY 96 HA1 GLY 96 -6.379 -3.814 -10.699 716 H MET 97 HN MET 97 -6.443 -5.225 -7.522 717 HA MET 97 HA MET 97 -6.064 -2.570 -6.342 718 1HB MET 97 HB2 MET 97 -6.514 -5.301 -5.098 719 2HB MET 97 HB1 MET 97 -6.419 -3.798 -4.178 720 1HG MET 97 HG2 MET 97 -8.232 -3.180 -6.174 721 2HG MET 97 HG1 MET 97 -8.624 -4.857 -5.797 722 1HE MET 97 HE1 MET 97 -7.864 -1.321 -3.713 723 2HE MET 97 HE2 MET 97 -9.611 -1.116 -3.680 724 3HE MET 97 HE3 MET 97 -8.797 -1.414 -5.212 725 H VAL 98 HN VAL 98 -3.753 -2.973 -7.594 726 HA VAL 98 HA VAL 98 -1.865 -3.714 -5.399 727 HB VAL 98 HB VAL 98 -1.438 -4.246 -8.356 728 1HG1 VAL 98 1HG1 VAL 98 0.162 -5.599 -6.264 729 2HG1 VAL 98 2HG1 VAL 98 0.448 -3.867 -6.425 730 3HG1 VAL 98 3HG1 VAL 98 0.671 -4.930 -7.814 731 1HG2 VAL 98 1HG2 VAL 98 -1.494 -6.592 -6.677 732 2HG2 VAL 98 2HG2 VAL 98 -2.495 -6.217 -8.079 733 3HG2 VAL 98 3HG2 VAL 98 -2.994 -5.686 -6.473 734 H GLY 99 HN GLY 99 -0.895 -1.829 -4.812 735 1HA GLY 99 HA2 GLY 99 -0.495 0.281 -6.842 736 2HA GLY 99 HA1 GLY 99 -0.359 0.502 -5.100 737 H LYS 100 HN LYS 100 1.731 1.579 -6.040 738 HA LYS 100 HA LYS 100 3.928 -0.261 -5.489 739 1HB LYS 100 HB2 LYS 100 3.305 0.659 -8.258 740 2HB LYS 100 HB1 LYS 100 5.001 0.619 -7.775 741 1HG LYS 100 HG2 LYS 100 4.393 -1.772 -6.868 742 2HG LYS 100 HG1 LYS 100 3.044 -1.647 -7.998 743 1HD LYS 100 HD2 LYS 100 5.088 -0.790 -9.575 744 2HD LYS 100 HD1 LYS 100 5.939 -1.939 -8.542 745 1HE LYS 100 HE2 LYS 100 4.008 -3.562 -9.045 746 2HE LYS 100 HE1 LYS 100 3.567 -2.449 -10.340 747 1HZ LYS 100 HZ1 LYS 100 5.785 -2.688 -11.258 748 2HZ LYS 100 HZ2 LYS 100 5.025 -4.202 -11.134 749 3HZ LYS 100 HZ3 LYS 100 6.215 -3.751 -10.009 750 H ILE 101 HN ILE 101 5.311 0.935 -4.260 751 HA ILE 101 HA ILE 101 5.188 3.885 -4.444 752 HB ILE 101 HB ILE 101 6.114 1.904 -2.421 753 1HG1 ILE 101 2HG1 ILE 101 4.637 4.534 -2.487 754 2HG1 ILE 101 1HG1 ILE 101 4.054 2.959 -1.953 755 1HG2 ILE 101 1HG2 ILE 101 8.204 3.148 -2.852 756 2HG2 ILE 101 2HG2 ILE 101 7.540 3.557 -1.271 757 3HG2 ILE 101 3HG2 ILE 101 7.344 4.670 -2.624 758 1HD1 ILE 101 HD11 ILE 101 4.555 3.619 0.152 759 2HD1 ILE 101 HD12 ILE 101 5.447 5.024 -0.430 760 3HD1 ILE 101 HD13 ILE 101 6.252 3.460 -0.300 761 H THR 102 HN THR 102 6.581 4.919 -5.771 762 HA THR 102 HA THR 102 9.151 3.566 -6.467 763 HB THR 102 HB THR 102 8.093 6.000 -7.888 764 HG1 THR 102 HG1 THR 102 7.455 3.463 -8.838 765 1HG2 THR 102 1HG2 THR 102 10.350 5.186 -8.407 766 2HG2 THR 102 2HG2 THR 102 9.277 4.933 -9.783 767 3HG2 THR 102 3HG2 THR 102 9.705 3.578 -8.738 768 H VAL 103 HN VAL 103 10.409 4.222 -4.693 769 HA VAL 103 HA VAL 103 10.519 7.132 -4.100 770 HB VAL 103 HB VAL 103 11.670 4.733 -2.644 771 1HG1 VAL 103 1HG1 VAL 103 11.728 6.841 -0.896 772 2HG1 VAL 103 2HG1 VAL 103 12.145 7.636 -2.415 773 3HG1 VAL 103 3HG1 VAL 103 13.117 6.285 -1.829 774 1HG2 VAL 103 1HG2 VAL 103 9.505 6.657 -1.762 775 2HG2 VAL 103 2HG2 VAL 103 9.934 5.106 -1.040 776 3HG2 VAL 103 3HG2 VAL 103 9.146 5.156 -2.616 777 H ALA 104 HN ALA 104 12.201 8.346 -4.790 778 HA ALA 104 HA ALA 104 14.394 7.014 -6.257 779 1HB ALA 104 HB1 ALA 104 14.364 9.968 -5.922 780 2HB ALA 104 HB2 ALA 104 13.008 9.271 -6.808 781 3HB ALA 104 HB3 ALA 104 14.659 9.004 -7.369 782 H GLY 105 HN GLY 105 16.629 8.244 -5.881 783 1HA GLY 105 HA2 GLY 105 17.027 8.630 -2.946 784 2HA GLY 105 HA1 GLY 105 18.091 7.553 -3.852 Start of MODEL 15 1 1H GLU 1 HT1 GLU 1 6.357 15.204 3.020 2 2H GLU 1 HT2 GLU 1 6.163 13.522 2.876 3 3H GLU 1 HT3 GLU 1 5.668 14.319 4.293 4 HA GLU 1 HA GLU 1 3.965 15.511 3.064 5 1HB GLU 1 HB2 GLU 1 5.451 14.286 0.827 6 2HB GLU 1 HB1 GLU 1 3.696 14.175 0.685 7 1HG GLU 1 HG2 GLU 1 3.558 16.634 1.150 8 2HG GLU 1 HG1 GLU 1 5.320 16.699 1.109 9 H THR 2 HN THR 2 1.847 14.475 2.703 10 HA THR 2 HA THR 2 1.840 11.577 3.444 11 HB THR 2 HB THR 2 -0.489 13.118 4.352 12 HG1 THR 2 HG1 THR 2 0.734 14.706 5.028 13 1HG2 THR 2 1HG2 THR 2 -0.324 10.944 5.193 14 2HG2 THR 2 2HG2 THR 2 0.328 11.902 6.522 15 3HG2 THR 2 3HG2 THR 2 1.421 11.060 5.423 16 H TYR 3 HN TYR 3 1.061 10.544 1.667 17 HA TYR 3 HA TYR 3 -0.885 11.911 -0.090 18 1HB TYR 3 HB2 TYR 3 0.614 9.289 -0.287 19 2HB TYR 3 HB1 TYR 3 -0.616 9.773 -1.455 20 HD1 TYR 3 HD1 TYR 3 0.121 10.877 -3.364 21 HD2 TYR 3 HD2 TYR 3 2.364 11.273 0.279 22 HE1 TYR 3 HE1 TYR 3 1.790 12.282 -4.544 23 HE2 TYR 3 HE2 TYR 3 4.033 12.678 -0.903 24 HH TYR 3 HH TYR 3 4.285 12.849 -4.200 25 H THR 4 HN THR 4 -2.955 10.930 -0.604 26 HA THR 4 HA THR 4 -3.929 9.083 1.541 27 HB THR 4 HB THR 4 -6.140 10.447 0.436 28 HG1 THR 4 HG1 THR 4 -5.402 12.627 0.946 29 1HG2 THR 4 1HG2 THR 4 -6.012 11.596 2.761 30 2HG2 THR 4 2HG2 THR 4 -4.602 10.569 3.023 31 3HG2 THR 4 3HG2 THR 4 -6.178 9.841 2.710 32 H VAL 5 HN VAL 5 -4.085 7.105 0.566 33 HA VAL 5 HA VAL 5 -5.187 6.994 -2.207 34 HB VAL 5 HB VAL 5 -4.045 4.580 -0.863 35 1HG1 VAL 5 1HG1 VAL 5 -4.073 5.759 -3.650 36 2HG1 VAL 5 2HG1 VAL 5 -4.878 4.293 -3.090 37 3HG1 VAL 5 3HG1 VAL 5 -3.120 4.336 -3.227 38 1HG2 VAL 5 1HG2 VAL 5 -2.303 6.734 -2.094 39 2HG2 VAL 5 2HG2 VAL 5 -1.770 5.241 -1.321 40 3HG2 VAL 5 3HG2 VAL 5 -2.498 6.523 -0.354 41 H LYS 6 HN LYS 6 -7.280 6.362 -2.392 42 HA LYS 6 HA LYS 6 -8.452 4.766 -0.146 43 1HB LYS 6 HB2 LYS 6 -10.238 6.313 -1.965 44 2HB LYS 6 HB1 LYS 6 -10.388 6.010 -0.235 45 1HG LYS 6 HG2 LYS 6 -8.611 7.630 0.233 46 2HG LYS 6 HG1 LYS 6 -8.376 7.898 -1.494 47 1HD LYS 6 HD2 LYS 6 -10.888 8.522 -1.537 48 2HD LYS 6 HD1 LYS 6 -10.741 8.660 0.216 49 1HE LYS 6 HE2 LYS 6 -9.045 10.145 -1.814 50 2HE LYS 6 HE1 LYS 6 -10.364 10.844 -0.875 51 1HZ LYS 6 HZ1 LYS 6 -7.991 9.550 0.345 52 2HZ LYS 6 HZ2 LYS 6 -9.185 10.468 1.131 53 3HZ LYS 6 HZ3 LYS 6 -8.100 11.218 0.058 54 H LEU 7 HN LEU 7 -7.986 2.739 -1.163 55 HA LEU 7 HA LEU 7 -8.395 2.025 -3.829 56 1HB LEU 7 HB2 LEU 7 -9.089 -0.262 -2.711 57 2HB LEU 7 HB1 LEU 7 -7.435 0.322 -2.569 58 HG LEU 7 HG LEU 7 -9.145 1.417 -0.483 59 1HD1 LEU 7 HD11 LEU 7 -8.703 -1.394 0.160 60 2HD1 LEU 7 HD12 LEU 7 -9.817 -1.194 -1.193 61 3HD1 LEU 7 HD13 LEU 7 -10.160 -0.418 0.352 62 1HD2 LEU 7 HD21 LEU 7 -6.604 -0.225 -0.613 63 2HD2 LEU 7 HD22 LEU 7 -7.310 0.310 0.912 64 3HD2 LEU 7 HD23 LEU 7 -6.760 1.498 -0.271 65 H GLY 8 HN GLY 8 -10.237 0.715 -4.735 66 1HA GLY 8 HA2 GLY 8 -12.538 0.309 -5.082 67 2HA GLY 8 HA1 GLY 8 -12.862 1.001 -3.492 68 H SER 9 HN SER 9 -12.002 1.916 -6.828 69 HA SER 9 HA SER 9 -12.286 4.686 -6.685 70 1HB SER 9 HB2 SER 9 -13.322 4.418 -9.059 71 2HB SER 9 HB1 SER 9 -11.677 3.846 -8.796 72 HG SER 9 HG SER 9 -13.836 2.469 -9.555 73 H ASP 10 HN ASP 10 -14.943 2.443 -7.534 74 HA ASP 10 HA ASP 10 -16.858 3.479 -5.745 75 1HB ASP 10 HB2 ASP 10 -16.253 5.444 -7.558 76 2HB ASP 10 HB1 ASP 10 -17.623 4.657 -8.342 77 H LYS 11 HN LYS 11 -16.901 2.869 -9.277 78 HA LYS 11 HA LYS 11 -18.630 0.496 -8.708 79 1HB LYS 11 HB2 LYS 11 -19.944 1.000 -10.698 80 2HB LYS 11 HB1 LYS 11 -19.945 2.414 -9.644 81 1HG LYS 11 HG2 LYS 11 -18.035 3.340 -10.984 82 2HG LYS 11 HG1 LYS 11 -18.217 1.983 -12.096 83 1HD LYS 11 HD2 LYS 11 -19.880 3.052 -13.167 84 2HD LYS 11 HD1 LYS 11 -20.796 3.162 -11.663 85 1HE LYS 11 HE2 LYS 11 -18.792 5.078 -11.369 86 2HE LYS 11 HE1 LYS 11 -19.282 5.229 -13.056 87 1HZ LYS 11 HZ1 LYS 11 -21.302 5.033 -10.919 88 2HZ LYS 11 HZ2 LYS 11 -21.452 5.699 -12.475 89 3HZ LYS 11 HZ3 LYS 11 -20.575 6.523 -11.277 90 H GLY 12 HN GLY 12 -15.661 1.049 -9.401 91 1HA GLY 12 HA2 GLY 12 -15.521 -0.593 -11.890 92 2HA GLY 12 HA1 GLY 12 -14.210 0.417 -11.278 93 H LEU 13 HN LEU 13 -12.901 -0.380 -9.577 94 HA LEU 13 HA LEU 13 -13.502 -3.106 -8.565 95 1HB LEU 13 HB2 LEU 13 -10.755 -2.465 -9.634 96 2HB LEU 13 HB1 LEU 13 -11.454 -4.043 -9.273 97 HG LEU 13 HG LEU 13 -13.220 -3.301 -11.113 98 1HD1 LEU 13 HD11 LEU 13 -11.908 -1.044 -11.231 99 2HD1 LEU 13 HD12 LEU 13 -12.425 -1.804 -12.736 100 3HD1 LEU 13 HD13 LEU 13 -10.752 -1.961 -12.198 101 1HD2 LEU 13 HD21 LEU 13 -12.168 -5.216 -11.770 102 2HD2 LEU 13 HD22 LEU 13 -10.591 -4.648 -11.223 103 3HD2 LEU 13 HD23 LEU 13 -11.219 -4.134 -12.789 104 H LEU 14 HN LEU 14 -11.102 -3.548 -7.244 105 HA LEU 14 HA LEU 14 -11.187 -1.382 -5.205 106 1HB LEU 14 HB2 LEU 14 -9.805 -4.038 -4.871 107 2HB LEU 14 HB1 LEU 14 -10.491 -2.989 -3.631 108 HG LEU 14 HG LEU 14 -12.134 -4.409 -5.743 109 1HD1 LEU 14 HD11 LEU 14 -11.075 -5.284 -3.132 110 2HD1 LEU 14 HD12 LEU 14 -11.684 -6.245 -4.477 111 3HD1 LEU 14 HD13 LEU 14 -12.810 -5.518 -3.331 112 1HD2 LEU 14 HD21 LEU 14 -14.023 -3.671 -4.466 113 2HD2 LEU 14 HD22 LEU 14 -12.987 -2.257 -4.667 114 3HD2 LEU 14 HD23 LEU 14 -12.992 -3.137 -3.138 115 H VAL 15 HN VAL 15 -9.797 -0.543 -7.365 116 HA VAL 15 HA VAL 15 -6.933 -1.178 -6.929 117 HB VAL 15 HB VAL 15 -6.685 0.428 -8.928 118 1HG1 VAL 15 1HG1 VAL 15 -8.052 -2.246 -8.945 119 2HG1 VAL 15 2HG1 VAL 15 -6.424 -1.824 -9.477 120 3HG1 VAL 15 3HG1 VAL 15 -7.816 -1.386 -10.466 121 1HG2 VAL 15 1HG2 VAL 15 -9.191 1.185 -8.374 122 2HG2 VAL 15 2HG2 VAL 15 -9.568 -0.140 -9.476 123 3HG2 VAL 15 3HG2 VAL 15 -8.567 1.205 -10.024 124 H PHE 16 HN PHE 16 -5.412 0.470 -6.373 125 HA PHE 16 HA PHE 16 -6.352 2.427 -4.497 126 1HB PHE 16 HB2 PHE 16 -3.699 2.016 -5.892 127 2HB PHE 16 HB1 PHE 16 -3.959 3.321 -4.734 128 HD1 PHE 16 HD1 PHE 16 -5.131 2.554 -2.459 129 HD2 PHE 16 HD2 PHE 16 -2.920 -0.025 -5.087 130 HE1 PHE 16 HE1 PHE 16 -4.757 0.970 -0.588 131 HE2 PHE 16 HE2 PHE 16 -2.546 -1.610 -3.217 132 HZ PHE 16 HZ PHE 16 -3.463 -1.112 -0.967 133 H GLU 17 HN GLU 17 -5.517 4.847 -4.863 134 HA GLU 17 HA GLU 17 -5.768 5.789 -7.618 135 1HB GLU 17 HB2 GLU 17 -8.020 6.042 -5.647 136 2HB GLU 17 HB1 GLU 17 -7.766 7.303 -6.856 137 1HG GLU 17 HG2 GLU 17 -7.536 4.998 -8.353 138 2HG GLU 17 HG1 GLU 17 -8.794 4.570 -7.192 139 HA PRO 18 HA PRO 18 -4.684 6.864 -8.634 140 1HB PRO 18 HB2 PRO 18 -2.036 7.518 -8.969 141 2HB PRO 18 HB1 PRO 18 -3.368 8.653 -9.232 142 1HG PRO 18 HG2 PRO 18 -1.439 8.495 -6.963 143 2HG PRO 18 HG1 PRO 18 -2.315 9.899 -7.598 144 1HD PRO 18 HD2 PRO 18 -2.993 8.460 -5.276 145 2HD PRO 18 HD1 PRO 18 -4.049 9.600 -6.135 146 H ALA 19 HN ALA 19 -3.125 5.213 -9.644 147 HA ALA 19 HA ALA 19 -2.742 3.016 -7.819 148 1HB ALA 19 HB1 ALA 19 -1.247 2.416 -10.084 149 2HB ALA 19 HB2 ALA 19 -2.503 3.494 -10.694 150 3HB ALA 19 HB3 ALA 19 -2.947 2.018 -9.837 151 H LYS 20 HN LYS 20 -0.310 4.738 -9.814 152 HA LYS 20 HA LYS 20 1.834 3.812 -8.051 153 1HB LYS 20 HB2 LYS 20 3.299 5.135 -9.537 154 2HB LYS 20 HB1 LYS 20 2.226 4.093 -10.472 155 1HG LYS 20 HG2 LYS 20 0.709 5.962 -10.886 156 2HG LYS 20 HG1 LYS 20 1.693 7.016 -9.870 157 1HD LYS 20 HD2 LYS 20 2.633 7.579 -11.883 158 2HD LYS 20 HD1 LYS 20 3.600 6.138 -11.568 159 1HE LYS 20 HE2 LYS 20 1.475 4.963 -12.722 160 2HE LYS 20 HE1 LYS 20 1.376 6.539 -13.508 161 1HZ LYS 20 HZ1 LYS 20 3.294 4.435 -13.866 162 2HZ LYS 20 HZ2 LYS 20 4.018 5.951 -13.615 163 3HZ LYS 20 HZ3 LYS 20 2.911 5.735 -14.885 164 H LEU 21 HN LEU 21 3.260 5.323 -6.892 165 HA LEU 21 HA LEU 21 2.179 8.021 -6.366 166 1HB LEU 21 HB2 LEU 21 2.163 5.762 -4.395 167 2HB LEU 21 HB1 LEU 21 2.491 7.394 -3.811 168 HG LEU 21 HG LEU 21 0.350 7.843 -5.452 169 1HD1 LEU 21 HD11 LEU 21 -0.457 5.359 -3.975 170 2HD1 LEU 21 HD12 LEU 21 0.320 5.200 -5.551 171 3HD1 LEU 21 HD13 LEU 21 -1.190 6.100 -5.399 172 1HD2 LEU 21 HD21 LEU 21 -0.822 8.301 -3.464 173 2HD2 LEU 21 HD22 LEU 21 0.863 8.411 -2.956 174 3HD2 LEU 21 HD23 LEU 21 -0.072 6.958 -2.602 175 H THR 22 HN THR 22 3.952 9.310 -6.487 176 HA THR 22 HA THR 22 6.615 8.148 -5.980 177 HB THR 22 HB THR 22 5.937 10.980 -6.809 178 HG1 THR 22 HG1 THR 22 6.824 9.099 -8.640 179 1HG2 THR 22 1HG2 THR 22 8.191 11.217 -7.302 180 2HG2 THR 22 2HG2 THR 22 8.428 9.484 -7.533 181 3HG2 THR 22 3HG2 THR 22 8.281 10.145 -5.904 182 H ILE 23 HN ILE 23 6.637 7.919 -3.699 183 HA ILE 23 HA ILE 23 6.231 10.376 -2.099 184 HB ILE 23 HB ILE 23 6.477 8.760 -0.152 185 1HG1 ILE 23 2HG1 ILE 23 5.808 6.432 -1.748 186 2HG1 ILE 23 1HG1 ILE 23 7.381 7.073 -2.221 187 1HG2 ILE 23 1HG2 ILE 23 4.255 9.168 -0.443 188 2HG2 ILE 23 2HG2 ILE 23 4.236 7.511 -1.049 189 3HG2 ILE 23 3HG2 ILE 23 4.325 8.863 -2.179 190 1HD1 ILE 23 HD11 ILE 23 8.320 6.697 -0.136 191 2HD1 ILE 23 HD12 ILE 23 7.164 5.366 -0.196 192 3HD1 ILE 23 HD13 ILE 23 6.773 6.834 0.700 193 H LYS 24 HN LYS 24 7.878 10.445 -0.148 194 HA LYS 24 HA LYS 24 10.552 10.506 -1.381 195 1HB LYS 24 HB2 LYS 24 9.192 12.018 0.624 196 2HB LYS 24 HB1 LYS 24 10.610 11.285 1.375 197 1HG LYS 24 HG2 LYS 24 11.687 13.094 0.486 198 2HG LYS 24 HG1 LYS 24 11.683 12.114 -0.981 199 1HD LYS 24 HD2 LYS 24 9.168 13.327 -0.966 200 2HD LYS 24 HD1 LYS 24 10.266 14.598 -0.425 201 1HE LYS 24 HE2 LYS 24 11.605 14.422 -2.381 202 2HE LYS 24 HE1 LYS 24 10.876 12.882 -2.835 203 1HZ LYS 24 HZ1 LYS 24 8.752 14.064 -3.116 204 2HZ LYS 24 HZ2 LYS 24 9.956 14.621 -4.176 205 3HZ LYS 24 HZ3 LYS 24 9.541 15.533 -2.804 206 HA PRO 25 HA PRO 25 12.157 7.049 0.796 207 1HB PRO 25 HB2 PRO 25 14.488 7.963 1.924 208 2HB PRO 25 HB1 PRO 25 14.285 7.670 0.188 209 1HG PRO 25 HG2 PRO 25 14.398 10.262 1.651 210 2HG PRO 25 HG1 PRO 25 14.793 9.910 -0.039 211 1HD PRO 25 HD2 PRO 25 12.405 11.113 0.907 212 2HD PRO 25 HD1 PRO 25 12.690 10.498 -0.736 213 H GLY 26 HN GLY 26 10.286 7.229 2.414 214 1HA GLY 26 HA2 GLY 26 10.253 6.484 4.800 215 2HA GLY 26 HA1 GLY 26 11.386 7.793 5.142 216 H ASP 27 HN ASP 27 8.706 8.262 2.938 217 HA ASP 27 HA ASP 27 7.672 10.380 4.696 218 1HB ASP 27 HB2 ASP 27 7.125 9.458 1.893 219 2HB ASP 27 HB1 ASP 27 5.920 10.446 2.720 220 H THR 28 HN THR 28 5.025 10.349 4.567 221 HA THR 28 HA THR 28 4.269 7.704 5.698 222 HB THR 28 HB THR 28 3.089 10.439 6.264 223 HG1 THR 28 HG1 THR 28 5.126 10.158 7.190 224 1HG2 THR 28 1HG2 THR 28 1.678 9.370 7.845 225 2HG2 THR 28 2HG2 THR 28 2.588 7.862 7.754 226 3HG2 THR 28 3HG2 THR 28 1.578 8.365 6.399 227 H VAL 29 HN VAL 29 2.688 6.609 4.637 228 HA VAL 29 HA VAL 29 1.089 8.116 2.634 229 HB VAL 29 HB VAL 29 1.644 5.147 2.548 230 1HG1 VAL 29 1HG1 VAL 29 -0.179 5.828 1.134 231 2HG1 VAL 29 2HG1 VAL 29 1.220 5.609 0.083 232 3HG1 VAL 29 3HG1 VAL 29 0.717 7.232 0.555 233 1HG2 VAL 29 1HG2 VAL 29 3.415 5.776 0.850 234 2HG2 VAL 29 2HG2 VAL 29 3.818 6.205 2.512 235 3HG2 VAL 29 3HG2 VAL 29 3.251 7.446 1.395 236 H GLU 30 HN GLU 30 -1.049 8.221 3.111 237 HA GLU 30 HA GLU 30 -2.091 6.425 5.216 238 1HB GLU 30 HB2 GLU 30 -2.451 9.176 4.613 239 2HB GLU 30 HB1 GLU 30 -4.006 8.383 4.354 240 1HG GLU 30 HG2 GLU 30 -4.090 7.567 6.574 241 2HG GLU 30 HG1 GLU 30 -2.369 7.855 6.835 242 H PHE 31 HN PHE 31 -3.376 4.749 4.656 243 HA PHE 31 HA PHE 31 -4.655 4.818 1.951 244 1HB PHE 31 HB2 PHE 31 -4.274 2.205 3.320 245 2HB PHE 31 HB1 PHE 31 -4.092 2.616 1.616 246 HD1 PHE 31 HD1 PHE 31 -1.995 3.739 0.810 247 HD2 PHE 31 HD2 PHE 31 -2.416 2.332 4.848 248 HE1 PHE 31 HE1 PHE 31 0.455 3.902 1.125 249 HE2 PHE 31 HE2 PHE 31 0.031 2.494 5.156 250 HZ PHE 31 HZ PHE 31 1.467 3.283 3.302 251 H LEU 32 HN LEU 32 -6.825 3.885 1.835 252 HA LEU 32 HA LEU 32 -8.144 3.407 4.443 253 1HB LEU 32 HB2 LEU 32 -9.808 4.999 2.626 254 2HB LEU 32 HB1 LEU 32 -9.518 5.208 4.349 255 HG LEU 32 HG LEU 32 -7.457 5.965 2.271 256 1HD1 LEU 32 HD11 LEU 32 -8.272 8.288 2.529 257 2HD1 LEU 32 HD12 LEU 32 -9.597 7.706 3.536 258 3HD1 LEU 32 HD13 LEU 32 -9.514 7.246 1.835 259 1HD2 LEU 32 HD21 LEU 32 -7.516 5.831 5.120 260 2HD2 LEU 32 HD22 LEU 32 -7.477 7.536 4.672 261 3HD2 LEU 32 HD23 LEU 32 -6.220 6.443 4.092 262 H ASN 33 HN ASN 33 -10.714 3.061 3.669 263 HA ASN 33 HA ASN 33 -10.559 1.027 1.480 264 1HB ASN 33 HB2 ASN 33 -11.686 -0.536 2.755 265 2HB ASN 33 HB1 ASN 33 -10.846 0.318 4.039 266 1HD2 ASN 33 HD21 ASN 33 -13.281 -1.107 4.467 267 2HD2 ASN 33 HD22 ASN 33 -14.459 0.022 4.915 268 H ASN 34 HN ASN 34 -12.827 0.596 0.534 269 HA ASN 34 HA ASN 34 -14.757 2.782 0.877 270 1HB ASN 34 HB2 ASN 34 -13.055 3.730 -0.690 271 2HB ASN 34 HB1 ASN 34 -13.390 2.402 -1.802 272 1HD2 ASN 34 HD21 ASN 34 -15.088 2.730 -3.261 273 2HD2 ASN 34 HD22 ASN 34 -16.255 3.954 -3.124 274 H LYS 35 HN LYS 35 -13.858 0.284 -1.539 275 HA LYS 35 HA LYS 35 -16.621 -0.368 -2.088 276 1HB LYS 35 HB2 LYS 35 -14.245 -0.866 -3.352 277 2HB LYS 35 HB1 LYS 35 -14.617 -2.443 -2.653 278 1HG LYS 35 HG2 LYS 35 -16.151 -2.802 -4.253 279 2HG LYS 35 HG1 LYS 35 -17.035 -1.369 -3.726 280 1HD LYS 35 HD2 LYS 35 -15.785 0.053 -5.197 281 2HD LYS 35 HD1 LYS 35 -14.627 -1.228 -5.553 282 1HE LYS 35 HE2 LYS 35 -17.418 -1.970 -6.115 283 2HE LYS 35 HE1 LYS 35 -16.827 -0.629 -7.098 284 1HZ LYS 35 HZ1 LYS 35 -14.830 -2.601 -6.917 285 2HZ LYS 35 HZ2 LYS 35 -15.646 -2.041 -8.298 286 3HZ LYS 35 HZ3 LYS 35 -16.278 -3.339 -7.403 287 H VAL 36 HN VAL 36 -16.237 -3.273 -2.057 288 HA VAL 36 HA VAL 36 -17.345 -3.818 0.535 289 HB VAL 36 HB VAL 36 -16.286 -5.674 -1.611 290 1HG1 VAL 36 1HG1 VAL 36 -16.415 -6.572 0.807 291 2HG1 VAL 36 2HG1 VAL 36 -17.270 -7.482 -0.438 292 3HG1 VAL 36 3HG1 VAL 36 -18.162 -6.406 0.638 293 1HG2 VAL 36 1HG2 VAL 36 -18.946 -4.427 -0.964 294 2HG2 VAL 36 2HG2 VAL 36 -18.896 -6.005 -1.749 295 3HG2 VAL 36 3HG2 VAL 36 -18.155 -4.608 -2.530 296 HA PRO 37 HA PRO 37 -13.316 -4.248 2.516 297 1HB PRO 37 HB2 PRO 37 -14.367 -4.218 5.062 298 2HB PRO 37 HB1 PRO 37 -14.068 -2.752 4.114 299 1HG PRO 37 HG2 PRO 37 -16.653 -4.090 4.746 300 2HG PRO 37 HG1 PRO 37 -16.331 -2.388 4.373 301 1HD PRO 37 HD2 PRO 37 -17.401 -4.312 2.591 302 2HD PRO 37 HD1 PRO 37 -16.793 -2.701 2.155 303 HA PRO 38 HA PRO 38 -12.606 -4.577 4.827 304 1HB PRO 38 HB2 PRO 38 -10.783 -6.178 6.089 305 2HB PRO 38 HB1 PRO 38 -12.385 -5.835 6.762 306 1HG PRO 38 HG2 PRO 38 -11.378 -8.350 5.549 307 2HG PRO 38 HG1 PRO 38 -12.720 -8.110 6.679 308 1HD PRO 38 HD2 PRO 38 -12.895 -8.494 3.841 309 2HD PRO 38 HD1 PRO 38 -14.225 -8.136 4.964 310 H HIS 39 HN HIS 39 -10.307 -3.920 4.533 311 HA HIS 39 HA HIS 39 -8.973 -5.392 2.301 312 1HB HIS 39 HB2 HIS 39 -9.243 -2.400 2.690 313 2HB HIS 39 HB1 HIS 39 -8.197 -3.152 1.482 314 HD2 HIS 39 HD2 HIS 39 -11.933 -2.266 1.952 315 HE1 HIS 39 HE1 HIS 39 -11.690 -4.695 -1.483 316 HE2 HIS 39 HE2 HIS 39 -13.214 -3.258 -0.077 317 H ASN 40 HN ASN 40 -6.998 -6.090 2.886 318 HA ASN 40 HA ASN 40 -5.672 -4.832 5.232 319 1HB ASN 40 HB2 ASN 40 -6.016 -7.500 4.443 320 2HB ASN 40 HB1 ASN 40 -4.319 -7.151 4.110 321 1HD2 ASN 40 HD21 ASN 40 -3.875 -8.658 5.991 322 2HD2 ASN 40 HD22 ASN 40 -3.974 -8.039 7.569 323 H VAL 41 HN VAL 41 -3.617 -3.904 5.040 324 HA VAL 41 HA VAL 41 -2.640 -3.558 2.235 325 HB VAL 41 HB VAL 41 -2.579 -1.783 4.673 326 1HG1 VAL 41 1HG1 VAL 41 -1.129 -0.345 2.901 327 2HG1 VAL 41 2HG1 VAL 41 -0.564 -1.965 2.495 328 3HG1 VAL 41 3HG1 VAL 41 -0.390 -1.357 4.141 329 1HG2 VAL 41 1HG2 VAL 41 -3.901 -0.409 3.417 330 2HG2 VAL 41 2HG2 VAL 41 -4.239 -1.889 2.520 331 3HG2 VAL 41 3HG2 VAL 41 -3.021 -0.759 1.929 332 H VAL 42 HN VAL 42 -0.842 -4.741 1.800 333 HA VAL 42 HA VAL 42 1.345 -4.791 3.755 334 HB VAL 42 HB VAL 42 0.498 -7.475 2.731 335 1HG1 VAL 42 1HG1 VAL 42 1.481 -6.982 5.491 336 2HG1 VAL 42 2HG1 VAL 42 2.618 -6.631 4.189 337 3HG1 VAL 42 3HG1 VAL 42 1.928 -8.247 4.346 338 1HG2 VAL 42 1HG2 VAL 42 -0.970 -7.811 4.638 339 2HG2 VAL 42 2HG2 VAL 42 -1.528 -6.389 3.758 340 3HG2 VAL 42 3HG2 VAL 42 -0.609 -6.198 5.251 341 H PHE 43 HN PHE 43 3.303 -4.959 2.783 342 HA PHE 43 HA PHE 43 3.332 -4.918 -0.164 343 1HB PHE 43 HB2 PHE 43 5.794 -4.813 1.557 344 2HB PHE 43 HB1 PHE 43 5.466 -3.977 0.033 345 HD1 PHE 43 HD1 PHE 43 5.275 -3.872 3.623 346 HD2 PHE 43 HD2 PHE 43 3.762 -2.083 0.027 347 HE1 PHE 43 HE1 PHE 43 4.490 -1.918 4.910 348 HE2 PHE 43 HE2 PHE 43 2.980 -0.123 1.338 349 HZ PHE 43 HZ PHE 43 3.358 -0.067 3.795 350 H ASP 44 HN ASP 44 3.788 -6.703 -1.369 351 HA ASP 44 HA ASP 44 4.132 -9.288 -0.324 352 1HB ASP 44 HB2 ASP 44 3.587 -8.803 -2.703 353 2HB ASP 44 HB1 ASP 44 5.240 -8.238 -2.947 354 H ALA 45 HN ALA 45 5.918 -10.439 0.402 355 HA ALA 45 HA ALA 45 8.342 -8.893 0.946 356 1HB ALA 45 HB1 ALA 45 8.253 -11.811 1.514 357 2HB ALA 45 HB2 ALA 45 7.090 -10.802 2.374 358 3HB ALA 45 HB3 ALA 45 8.818 -10.484 2.530 359 H ALA 46 HN ALA 46 7.436 -10.047 -1.838 360 HA ALA 46 HA ALA 46 10.138 -11.135 -2.500 361 1HB ALA 46 HB1 ALA 46 9.261 -12.900 -3.676 362 2HB ALA 46 HB2 ALA 46 7.821 -12.000 -4.153 363 3HB ALA 46 HB3 ALA 46 7.933 -12.691 -2.534 364 H LEU 47 HN LEU 47 8.407 -8.479 -2.788 365 HA LEU 47 HA LEU 47 9.227 -8.037 -5.631 366 1HB LEU 47 HB2 LEU 47 6.777 -6.944 -4.213 367 2HB LEU 47 HB1 LEU 47 7.295 -6.480 -5.834 368 HG LEU 47 HG LEU 47 6.744 -9.350 -5.048 369 1HD1 LEU 47 HD11 LEU 47 4.743 -8.332 -6.794 370 2HD1 LEU 47 HD12 LEU 47 4.877 -7.202 -5.446 371 3HD1 LEU 47 HD13 LEU 47 4.540 -8.906 -5.139 372 1HD2 LEU 47 HD21 LEU 47 7.935 -8.110 -7.302 373 2HD2 LEU 47 HD22 LEU 47 6.334 -8.643 -7.815 374 3HD2 LEU 47 HD23 LEU 47 7.473 -9.804 -7.132 375 H ASN 48 HN ASN 48 11.039 -7.493 -3.672 376 HA ASN 48 HA ASN 48 10.870 -4.519 -3.381 377 1HB ASN 48 HB2 ASN 48 12.283 -4.754 -1.372 378 2HB ASN 48 HB1 ASN 48 10.794 -5.681 -1.199 379 1HD2 ASN 48 HD21 ASN 48 10.959 -8.074 -1.564 380 2HD2 ASN 48 HD22 ASN 48 12.448 -8.853 -1.324 381 HA PRO 49 HA PRO 49 14.584 -4.309 -5.693 382 1HB PRO 49 HB2 PRO 49 15.697 -2.040 -4.612 383 2HB PRO 49 HB1 PRO 49 14.303 -2.022 -5.707 384 1HG PRO 49 HG2 PRO 49 14.378 -1.595 -2.756 385 2HG PRO 49 HG1 PRO 49 13.215 -0.989 -3.947 386 1HD PRO 49 HD2 PRO 49 12.808 -3.173 -2.197 387 2HD PRO 49 HD1 PRO 49 11.808 -2.768 -3.609 388 H ALA 50 HN ALA 50 14.624 -5.083 -2.428 389 HA ALA 50 HA ALA 50 17.582 -5.502 -2.503 390 1HB ALA 50 HB1 ALA 50 16.853 -5.540 0.185 391 2HB ALA 50 HB2 ALA 50 15.892 -4.225 -0.492 392 3HB ALA 50 HB3 ALA 50 17.648 -4.204 -0.649 393 H LYS 51 HN LYS 51 15.360 -7.245 -3.350 394 HA LYS 51 HA LYS 51 14.398 -9.377 -2.840 395 1HB LYS 51 HB2 LYS 51 16.056 -11.027 -3.233 396 2HB LYS 51 HB1 LYS 51 16.641 -9.588 -4.066 397 1HG LYS 51 HG2 LYS 51 18.538 -9.710 -2.863 398 2HG LYS 51 HG1 LYS 51 17.594 -9.411 -1.404 399 1HD LYS 51 HD2 LYS 51 18.537 -11.461 -0.870 400 2HD LYS 51 HD1 LYS 51 17.036 -11.992 -1.628 401 1HE LYS 51 HE2 LYS 51 18.098 -12.760 -3.515 402 2HE LYS 51 HE1 LYS 51 19.362 -11.532 -3.431 403 1HZ LYS 51 HZ1 LYS 51 19.269 -13.520 -1.295 404 2HZ LYS 51 HZ2 LYS 51 20.608 -12.769 -2.023 405 3HZ LYS 51 HZ3 LYS 51 19.810 -14.043 -2.814 406 H SER 52 HN SER 52 14.363 -7.875 -0.423 407 HA SER 52 HA SER 52 14.871 -10.087 1.514 408 1HB SER 52 HB2 SER 52 15.565 -7.164 1.916 409 2HB SER 52 HB1 SER 52 15.597 -8.381 3.189 410 HG SER 52 HG SER 52 17.135 -9.520 1.941 411 H ALA 53 HN ALA 53 13.843 -9.023 3.782 412 HA ALA 53 HA ALA 53 11.223 -7.802 3.129 413 1HB ALA 53 HB1 ALA 53 11.312 -10.493 3.224 414 2HB ALA 53 HB2 ALA 53 9.921 -9.575 3.800 415 3HB ALA 53 HB3 ALA 53 11.127 -10.160 4.946 416 H ASP 54 HN ASP 54 13.814 -7.289 4.743 417 HA ASP 54 HA ASP 54 13.053 -7.272 7.520 418 1HB ASP 54 HB2 ASP 54 15.134 -5.679 5.997 419 2HB ASP 54 HB1 ASP 54 14.973 -5.664 7.753 420 H LEU 55 HN LEU 55 12.621 -5.014 4.855 421 HA LEU 55 HA LEU 55 11.421 -3.046 6.740 422 1HB LEU 55 HB2 LEU 55 11.777 -1.391 5.110 423 2HB LEU 55 HB1 LEU 55 13.183 -2.435 4.914 424 HG LEU 55 HG LEU 55 11.265 -3.604 3.268 425 1HD1 LEU 55 HD11 LEU 55 10.752 -0.728 3.591 426 2HD1 LEU 55 HD12 LEU 55 9.732 -1.978 2.878 427 3HD1 LEU 55 HD13 LEU 55 10.995 -1.215 1.913 428 1HD2 LEU 55 HD21 LEU 55 12.687 -2.669 1.439 429 2HD2 LEU 55 HD22 LEU 55 13.643 -3.366 2.748 430 3HD2 LEU 55 HD23 LEU 55 13.465 -1.616 2.620 431 H ALA 56 HN ALA 56 10.200 -5.648 5.712 432 HA ALA 56 HA ALA 56 7.757 -4.435 4.480 433 1HB ALA 56 HB1 ALA 56 7.573 -7.159 4.033 434 2HB ALA 56 HB2 ALA 56 9.299 -6.849 3.843 435 3HB ALA 56 HB3 ALA 56 8.130 -5.970 2.856 436 H LYS 57 HN LYS 57 8.781 -7.205 6.514 437 HA LYS 57 HA LYS 57 6.233 -7.755 7.621 438 1HB LYS 57 HB2 LYS 57 8.879 -8.009 9.078 439 2HB LYS 57 HB1 LYS 57 7.407 -8.935 9.373 440 1HG LYS 57 HG2 LYS 57 8.358 -9.038 6.586 441 2HG LYS 57 HG1 LYS 57 9.458 -9.768 7.756 442 1HD LYS 57 HD2 LYS 57 8.136 -11.588 7.782 443 2HD LYS 57 HD1 LYS 57 6.869 -10.600 8.510 444 1HE LYS 57 HE2 LYS 57 5.843 -10.165 6.450 445 2HE LYS 57 HE1 LYS 57 7.304 -10.538 5.535 446 1HZ LYS 57 HZ1 LYS 57 7.008 -12.876 6.474 447 2HZ LYS 57 HZ2 LYS 57 5.961 -12.386 5.230 448 3HZ LYS 57 HZ3 LYS 57 5.423 -12.399 6.841 449 H SER 58 HN SER 58 8.565 -5.250 8.372 450 HA SER 58 HA SER 58 6.840 -4.371 10.647 451 1HB SER 58 HB2 SER 58 8.716 -3.479 11.663 452 2HB SER 58 HB1 SER 58 9.471 -4.795 10.768 453 HG SER 58 HG SER 58 10.617 -3.185 10.001 454 H LEU 59 HN LEU 59 6.286 -3.905 7.764 455 HA LEU 59 HA LEU 59 6.509 -0.921 7.750 456 1HB LEU 59 HB2 LEU 59 7.651 -2.175 5.860 457 2HB LEU 59 HB1 LEU 59 6.062 -2.696 5.336 458 HG LEU 59 HG LEU 59 5.374 -0.318 5.143 459 1HD1 LEU 59 HD11 LEU 59 6.616 0.966 6.591 460 2HD1 LEU 59 HD12 LEU 59 7.557 1.224 5.121 461 3HD1 LEU 59 HD13 LEU 59 8.091 0.039 6.314 462 1HD2 LEU 59 HD21 LEU 59 7.844 -0.205 3.573 463 2HD2 LEU 59 HD22 LEU 59 6.171 -0.292 3.019 464 3HD2 LEU 59 HD23 LEU 59 7.037 -1.768 3.446 465 H SER 60 HN SER 60 4.407 -3.462 6.327 466 HA SER 60 HA SER 60 2.120 -1.653 6.428 467 1HB SER 60 HB2 SER 60 2.762 -4.221 5.242 468 2HB SER 60 HB1 SER 60 1.156 -4.224 5.967 469 HG SER 60 HG SER 60 2.113 -2.886 3.772 470 H HIS 61 HN HIS 61 0.005 -3.100 7.212 471 HA HIS 61 HA HIS 61 0.572 -3.693 10.088 472 1HB HIS 61 HB2 HIS 61 -1.687 -2.905 10.577 473 2HB HIS 61 HB1 HIS 61 -0.820 -1.660 9.678 474 HD1 HIS 61 HD1 HIS 61 -3.331 -4.465 9.079 475 HD2 HIS 61 HD2 HIS 61 -2.041 -0.914 7.300 476 HE1 HIS 61 HE1 HIS 61 -4.885 -4.028 7.121 477 H LYS 62 HN LYS 62 -0.772 -5.395 11.048 478 HA LYS 62 HA LYS 62 -1.492 -7.466 9.027 479 1HB LYS 62 HB2 LYS 62 -0.044 -7.558 11.466 480 2HB LYS 62 HB1 LYS 62 -1.550 -8.438 11.734 481 1HG LYS 62 HG2 LYS 62 -1.005 -9.509 9.392 482 2HG LYS 62 HG1 LYS 62 0.643 -9.000 9.762 483 1HD LYS 62 HD2 LYS 62 -0.470 -10.204 12.109 484 2HD LYS 62 HD1 LYS 62 -0.746 -11.289 10.745 485 1HE LYS 62 HE2 LYS 62 1.437 -11.754 11.776 486 2HE LYS 62 HE1 LYS 62 1.650 -11.126 10.142 487 1HZ LYS 62 HZ1 LYS 62 3.104 -10.113 11.896 488 2HZ LYS 62 HZ2 LYS 62 1.708 -9.399 12.549 489 3HZ LYS 62 HZ3 LYS 62 2.208 -9.008 10.973 490 H GLN 63 HN GLN 63 -2.876 -5.273 11.256 491 HA GLN 63 HA GLN 63 -5.240 -6.857 11.869 492 1HB GLN 63 HB2 GLN 63 -4.998 -3.846 12.037 493 2HB GLN 63 HB1 GLN 63 -6.059 -4.901 12.972 494 1HG GLN 63 HG2 GLN 63 -3.088 -5.308 13.115 495 2HG GLN 63 HG1 GLN 63 -3.830 -4.011 14.052 496 1HE2 GLN 63 1HE2 GLN 63 -4.240 -4.718 16.145 497 2HE2 GLN 63 2HE2 GLN 63 -4.789 -6.268 16.563 498 H LEU 64 HN LEU 64 -7.051 -7.048 10.626 499 HA LEU 64 HA LEU 64 -7.127 -6.116 7.934 500 1HB LEU 64 HB2 LEU 64 -9.214 -7.211 9.816 501 2HB LEU 64 HB1 LEU 64 -9.655 -6.659 8.199 502 HG LEU 64 HG LEU 64 -7.786 -8.168 7.326 503 1HD1 LEU 64 HD11 LEU 64 -7.972 -9.104 10.200 504 2HD1 LEU 64 HD12 LEU 64 -6.535 -8.550 9.341 505 3HD1 LEU 64 HD13 LEU 64 -7.280 -10.089 8.912 506 1HD2 LEU 64 HD21 LEU 64 -9.860 -9.803 8.758 507 2HD2 LEU 64 HD22 LEU 64 -9.282 -9.944 7.098 508 3HD2 LEU 64 HD23 LEU 64 -10.376 -8.634 7.542 509 H LEU 65 HN LEU 65 -9.276 -4.803 7.255 510 HA LEU 65 HA LEU 65 -9.062 -2.222 8.714 511 1HB LEU 65 HB2 LEU 65 -9.505 -3.022 5.935 512 2HB LEU 65 HB1 LEU 65 -10.655 -1.801 6.478 513 HG LEU 65 HG LEU 65 -8.855 -0.335 7.179 514 1HD1 LEU 65 HD11 LEU 65 -7.339 -2.825 7.050 515 2HD1 LEU 65 HD12 LEU 65 -6.967 -1.333 7.914 516 3HD1 LEU 65 HD13 LEU 65 -6.511 -1.507 6.219 517 1HD2 LEU 65 HD21 LEU 65 -8.807 0.345 5.032 518 2HD2 LEU 65 HD22 LEU 65 -9.191 -1.284 4.476 519 3HD2 LEU 65 HD23 LEU 65 -7.511 -0.811 4.728 520 H MET 66 HN MET 66 -10.797 -1.385 9.822 521 HA MET 66 HA MET 66 -13.411 -2.814 9.551 522 1HB MET 66 HB2 MET 66 -11.888 -2.019 12.025 523 2HB MET 66 HB1 MET 66 -13.645 -2.165 12.068 524 1HG MET 66 HG2 MET 66 -12.246 -4.411 10.753 525 2HG MET 66 HG1 MET 66 -11.934 -4.252 12.482 526 1HE MET 66 HE1 MET 66 -15.394 -6.092 10.446 527 2HE MET 66 HE2 MET 66 -13.677 -5.966 10.070 528 3HE MET 66 HE3 MET 66 -14.754 -4.621 9.702 529 H SER 67 HN SER 67 -11.850 0.031 9.042 530 HA SER 67 HA SER 67 -14.232 1.668 9.790 531 1HB SER 67 HB2 SER 67 -12.052 2.389 10.770 532 2HB SER 67 HB1 SER 67 -11.421 2.600 9.139 533 HG SER 67 HG SER 67 -12.239 4.554 9.993 534 HA PRO 68 HA PRO 68 -14.876 1.837 5.388 535 1HB PRO 68 HB2 PRO 68 -17.094 3.456 5.499 536 2HB PRO 68 HB1 PRO 68 -17.135 1.718 5.840 537 1HG PRO 68 HG2 PRO 68 -17.283 4.007 7.745 538 2HG PRO 68 HG1 PRO 68 -17.923 2.364 7.914 539 1HD PRO 68 HD2 PRO 68 -15.558 3.355 9.116 540 2HD PRO 68 HD1 PRO 68 -16.037 1.648 9.002 541 H GLY 69 HN GLY 69 -12.913 3.159 5.014 542 1HA GLY 69 HA2 GLY 69 -12.528 5.205 3.632 543 2HA GLY 69 HA1 GLY 69 -13.568 6.072 4.764 544 H GLN 70 HN GLN 70 -11.113 3.710 5.687 545 HA GLN 70 HA GLN 70 -8.980 5.498 6.236 546 1HB GLN 70 HB2 GLN 70 -10.679 6.490 7.803 547 2HB GLN 70 HB1 GLN 70 -10.705 4.953 8.669 548 1HG GLN 70 HG2 GLN 70 -8.781 5.431 9.741 549 2HG GLN 70 HG1 GLN 70 -7.982 5.882 8.235 550 1HE2 GLN 70 1HE2 GLN 70 -8.095 8.147 7.562 551 2HE2 GLN 70 2HE2 GLN 70 -8.571 9.364 8.645 552 H SER 71 HN SER 71 -7.410 3.947 6.052 553 HA SER 71 HA SER 71 -7.889 1.347 7.417 554 1HB SER 71 HB2 SER 71 -6.449 0.323 5.858 555 2HB SER 71 HB1 SER 71 -7.337 1.497 4.895 556 HG SER 71 HG SER 71 -4.756 1.290 5.127 557 H THR 72 HN THR 72 -4.773 2.838 6.559 558 HA THR 72 HA THR 72 -4.148 3.467 9.340 559 HB THR 72 HB THR 72 -2.682 1.180 7.987 560 HG1 THR 72 HG1 THR 72 -3.740 -0.102 9.407 561 1HG2 THR 72 1HG2 THR 72 -1.175 2.435 9.385 562 2HG2 THR 72 2HG2 THR 72 -1.637 0.988 10.280 563 3HG2 THR 72 3HG2 THR 72 -2.374 2.540 10.674 564 H SER 73 HN SER 73 -2.046 4.546 9.503 565 HA SER 73 HA SER 73 -1.187 5.653 6.868 566 1HB SER 73 HB2 SER 73 -0.154 6.842 9.383 567 2HB SER 73 HB1 SER 73 -0.757 7.634 7.930 568 HG SER 73 HG SER 73 -2.022 7.370 10.167 569 H THR 74 HN THR 74 -0.079 3.401 6.762 570 HA THR 74 HA THR 74 2.054 2.567 8.328 571 HB THR 74 HB THR 74 1.942 2.570 5.296 572 HG1 THR 74 HG1 THR 74 0.982 0.839 7.308 573 1HG2 THR 74 1HG2 THR 74 4.114 1.910 5.655 574 2HG2 THR 74 2HG2 THR 74 3.322 0.358 5.925 575 3HG2 THR 74 3HG2 THR 74 3.786 1.361 7.299 576 H THR 75 HN THR 75 3.384 4.157 9.200 577 HA THR 75 HA THR 75 4.529 6.264 7.531 578 HB THR 75 HB THR 75 5.038 5.384 10.387 579 HG1 THR 75 HG1 THR 75 4.170 7.684 10.526 580 1HG2 THR 75 1HG2 THR 75 7.068 6.373 10.040 581 2HG2 THR 75 2HG2 THR 75 6.132 7.857 10.227 582 3HG2 THR 75 3HG2 THR 75 6.509 7.250 8.615 583 H PHE 76 HN PHE 76 5.771 5.268 5.944 584 HA PHE 76 HA PHE 76 7.421 3.037 6.139 585 1HB PHE 76 HB2 PHE 76 7.583 5.551 4.502 586 2HB PHE 76 HB1 PHE 76 8.876 4.355 4.400 587 HD1 PHE 76 HD1 PHE 76 8.657 2.876 2.626 588 HD2 PHE 76 HD2 PHE 76 5.099 4.253 4.606 589 HE1 PHE 76 HE1 PHE 76 7.277 1.475 1.124 590 HE2 PHE 76 HE2 PHE 76 3.724 2.850 3.102 591 HZ PHE 76 HZ PHE 76 4.811 1.461 1.361 592 HA PRO 77 HA PRO 77 10.767 4.095 8.746 593 1HB PRO 77 HB2 PRO 77 12.829 2.746 7.526 594 2HB PRO 77 HB1 PRO 77 11.547 1.950 8.454 595 1HG PRO 77 HG2 PRO 77 11.928 2.069 5.497 596 2HG PRO 77 HG1 PRO 77 11.119 0.833 6.475 597 1HD PRO 77 HD2 PRO 77 9.828 2.846 4.971 598 2HD PRO 77 HD1 PRO 77 9.076 1.843 6.229 599 H ALA 78 HN ALA 78 13.115 4.980 8.698 600 HA ALA 78 HA ALA 78 13.161 7.304 6.919 601 1HB ALA 78 HB1 ALA 78 13.903 7.714 9.150 602 2HB ALA 78 HB2 ALA 78 15.359 7.746 8.156 603 3HB ALA 78 HB3 ALA 78 14.983 6.320 9.123 604 H ASP 79 HN ASP 79 13.841 4.233 6.248 605 HA ASP 79 HA ASP 79 16.413 4.759 4.854 606 1HB ASP 79 HB2 ASP 79 14.972 2.332 5.795 607 2HB ASP 79 HB1 ASP 79 15.884 2.167 4.294 608 H ALA 80 HN ALA 80 13.509 2.870 3.966 609 HA ALA 80 HA ALA 80 12.529 2.627 1.828 610 1HB ALA 80 HB1 ALA 80 11.408 4.635 2.635 611 2HB ALA 80 HB2 ALA 80 11.758 4.827 0.917 612 3HB ALA 80 HB3 ALA 80 12.764 5.638 2.117 613 HA PRO 81 HA PRO 81 16.433 3.055 -0.500 614 1HB PRO 81 HB2 PRO 81 16.266 0.536 -1.596 615 2HB PRO 81 HB1 PRO 81 17.013 0.879 -0.026 616 1HG PRO 81 HG2 PRO 81 14.364 -0.366 -0.615 617 2HG PRO 81 HG1 PRO 81 15.418 -0.582 0.793 618 1HD PRO 81 HD2 PRO 81 13.099 1.023 0.715 619 2HD PRO 81 HD1 PRO 81 14.365 1.091 1.960 620 H ALA 82 HN ALA 82 16.353 4.038 -2.473 621 HA ALA 82 HA ALA 82 14.116 4.539 -4.009 622 1HB ALA 82 HB1 ALA 82 15.577 5.494 -5.457 623 2HB ALA 82 HB2 ALA 82 16.467 3.989 -5.685 624 3HB ALA 82 HB3 ALA 82 16.818 5.020 -4.298 625 H GLY 83 HN GLY 83 12.884 3.419 -5.488 626 1HA GLY 83 HA2 GLY 83 13.407 1.410 -7.221 627 2HA GLY 83 HA1 GLY 83 13.365 0.520 -5.698 628 H GLU 84 HN GLU 84 11.483 -0.214 -7.477 629 HA GLU 84 HA GLU 84 9.011 1.313 -6.864 630 1HB GLU 84 HB2 GLU 84 9.117 -1.144 -8.600 631 2HB GLU 84 HB1 GLU 84 8.021 0.234 -8.696 632 1HG GLU 84 HG2 GLU 84 9.671 1.630 -9.657 633 2HG GLU 84 HG1 GLU 84 10.984 0.557 -9.172 634 H TYR 85 HN TYR 85 7.658 0.615 -5.279 635 HA TYR 85 HA TYR 85 8.153 -2.070 -4.098 636 1HB TYR 85 HB2 TYR 85 6.468 0.243 -3.081 637 2HB TYR 85 HB1 TYR 85 6.802 -1.251 -2.205 638 HD1 TYR 85 HD1 TYR 85 8.629 -1.323 -0.753 639 HD2 TYR 85 HD2 TYR 85 8.613 1.526 -3.967 640 HE1 TYR 85 HE1 TYR 85 10.757 -0.365 0.083 641 HE2 TYR 85 HE2 TYR 85 10.739 2.485 -3.130 642 HH TYR 85 HH TYR 85 12.590 1.929 -1.764 643 H THR 86 HN THR 86 5.744 -2.815 -3.106 644 HA THR 86 HA THR 86 3.595 -2.423 -5.027 645 HB THR 86 HB THR 86 5.048 -5.084 -4.999 646 HG1 THR 86 HG1 THR 86 4.559 -3.566 -7.283 647 1HG2 THR 86 1HG2 THR 86 3.364 -5.864 -6.515 648 2HG2 THR 86 2HG2 THR 86 2.656 -4.255 -6.653 649 3HG2 THR 86 3HG2 THR 86 2.513 -5.154 -5.143 650 H PHE 87 HN PHE 87 2.102 -2.179 -3.406 651 HA PHE 87 HA PHE 87 1.952 -4.271 -1.319 652 1HB PHE 87 HB2 PHE 87 0.097 -2.537 -0.484 653 2HB PHE 87 HB1 PHE 87 1.807 -2.312 -0.115 654 HD1 PHE 87 HD1 PHE 87 3.201 -0.805 -1.525 655 HD2 PHE 87 HD2 PHE 87 -1.060 -1.062 -1.962 656 HE1 PHE 87 HE1 PHE 87 3.209 1.316 -2.792 657 HE2 PHE 87 HE2 PHE 87 -1.060 1.062 -3.227 658 HZ PHE 87 HZ PHE 87 1.075 2.262 -3.646 659 H TYR 88 HN TYR 88 -0.391 -4.990 -0.789 660 HA TYR 88 HA TYR 88 -2.300 -4.690 -2.976 661 1HB TYR 88 HB2 TYR 88 -2.339 -7.011 -3.657 662 2HB TYR 88 HB1 TYR 88 -0.679 -6.432 -3.794 663 HD1 TYR 88 HD1 TYR 88 -2.665 -9.056 -2.582 664 HD2 TYR 88 HD2 TYR 88 0.716 -6.636 -1.507 665 HE1 TYR 88 HE1 TYR 88 -1.917 -10.806 -0.993 666 HE2 TYR 88 HE2 TYR 88 1.466 -8.385 0.080 667 HH TYR 88 HH TYR 88 -0.260 -10.579 1.342 668 H CYS 89 HN CYS 89 -3.655 -7.191 -2.359 669 HA CYS 89 HA CYS 89 -4.509 -6.686 0.462 670 1HB CYS 89 HB2 CYS 89 -5.997 -5.990 -1.711 671 2HB CYS 89 HB1 CYS 89 -6.549 -7.644 -1.460 672 H GLU 90 HN GLU 90 -5.163 -8.570 1.606 673 HA GLU 90 HA GLU 90 -4.084 -11.073 0.521 674 1HB GLU 90 HB2 GLU 90 -3.723 -10.429 2.900 675 2HB GLU 90 HB1 GLU 90 -5.456 -10.579 3.178 676 1HG GLU 90 HG2 GLU 90 -5.084 -12.757 3.624 677 2HG GLU 90 HG1 GLU 90 -4.772 -12.961 1.900 678 HA PRO 91 HA PRO 91 -8.707 -12.263 0.852 679 1HB PRO 91 HB2 PRO 91 -10.524 -10.217 1.113 680 2HB PRO 91 HB1 PRO 91 -9.807 -11.074 2.488 681 1HG PRO 91 HG2 PRO 91 -9.225 -8.335 1.477 682 2HG PRO 91 HG1 PRO 91 -9.022 -8.996 3.107 683 1HD PRO 91 HD2 PRO 91 -6.971 -8.595 1.194 684 2HD PRO 91 HD1 PRO 91 -6.829 -9.508 2.708 685 H HIS 92 HN HIS 92 -9.119 -8.936 -0.450 686 HA HIS 92 HA HIS 92 -10.397 -9.864 -2.852 687 1HB HIS 92 HB2 HIS 92 -8.975 -7.226 -2.379 688 2HB HIS 92 HB1 HIS 92 -10.137 -7.563 -3.662 689 HD2 HIS 92 HD2 HIS 92 -12.849 -7.524 -2.845 690 HE1 HIS 92 HE1 HIS 92 -12.115 -6.547 1.182 691 HE2 HIS 92 HE2 HIS 92 -13.903 -6.834 -0.575 692 H ARG 93 HN ARG 93 -8.715 -11.566 -3.372 693 HA ARG 93 HA ARG 93 -6.213 -10.488 -4.533 694 1HB ARG 93 HB2 ARG 93 -7.232 -13.195 -3.782 695 2HB ARG 93 HB1 ARG 93 -6.045 -13.104 -5.084 696 1HG ARG 93 HG2 ARG 93 -4.490 -11.901 -3.651 697 2HG ARG 93 HG1 ARG 93 -5.690 -11.822 -2.360 698 1HD ARG 93 HD2 ARG 93 -4.856 -14.485 -3.484 699 2HD ARG 93 HD1 ARG 93 -3.864 -13.688 -2.264 700 HE ARG 93 HE ARG 93 -6.459 -13.629 -1.236 701 1HH1 ARG 93 HH11 ARG 93 -5.780 -16.287 -2.995 702 2HH1 ARG 93 HH12 ARG 93 -5.665 -17.404 -1.677 703 1HH2 ARG 93 HH21 ARG 93 -5.635 -14.937 0.759 704 2HH2 ARG 93 HH22 ARG 93 -5.582 -16.640 0.449 705 H GLY 94 HN GLY 94 -6.436 -9.671 -6.559 706 1HA GLY 94 HA2 GLY 94 -6.634 -10.272 -8.952 707 2HA GLY 94 HA1 GLY 94 -8.021 -11.274 -8.521 708 H ALA 95 HN ALA 95 -8.233 -8.540 -6.663 709 HA ALA 95 HA ALA 95 -10.214 -7.366 -8.539 710 1HB ALA 95 HB1 ALA 95 -10.245 -6.013 -6.040 711 2HB ALA 95 HB2 ALA 95 -10.101 -7.735 -5.689 712 3HB ALA 95 HB3 ALA 95 -11.445 -7.144 -6.665 713 H GLY 96 HN GLY 96 -7.360 -6.976 -8.937 714 1HA GLY 96 HA2 GLY 96 -5.938 -5.211 -9.538 715 2HA GLY 96 HA1 GLY 96 -7.346 -4.157 -9.420 716 H MET 97 HN MET 97 -6.754 -5.909 -6.535 717 HA MET 97 HA MET 97 -6.108 -3.447 -5.122 718 1HB MET 97 HB2 MET 97 -5.893 -6.271 -4.044 719 2HB MET 97 HB1 MET 97 -6.119 -4.784 -3.123 720 1HG MET 97 HG2 MET 97 -8.197 -4.926 -5.072 721 2HG MET 97 HG1 MET 97 -8.123 -6.483 -4.251 722 1HE MET 97 HE1 MET 97 -8.807 -2.362 -3.174 723 2HE MET 97 HE2 MET 97 -7.239 -3.024 -3.627 724 3HE MET 97 HE3 MET 97 -7.607 -2.729 -1.929 725 H VAL 98 HN VAL 98 -4.139 -3.312 -6.772 726 HA VAL 98 HA VAL 98 -1.760 -4.241 -5.245 727 HB VAL 98 HB VAL 98 -1.958 -4.453 -8.261 728 1HG1 VAL 98 1HG1 VAL 98 0.303 -4.159 -7.135 729 2HG1 VAL 98 2HG1 VAL 98 0.129 -5.632 -8.089 730 3HG1 VAL 98 3HG1 VAL 98 0.014 -5.701 -6.331 731 1HG2 VAL 98 1HG2 VAL 98 -3.292 -6.245 -7.789 732 2HG2 VAL 98 2HG2 VAL 98 -2.798 -6.287 -6.097 733 3HG2 VAL 98 3HG2 VAL 98 -1.775 -7.019 -7.333 734 H GLY 99 HN GLY 99 -0.921 -2.271 -4.655 735 1HA GLY 99 HA2 GLY 99 -0.769 -0.163 -6.749 736 2HA GLY 99 HA1 GLY 99 -0.831 0.179 -5.024 737 H LYS 100 HN LYS 100 1.230 1.396 -6.093 738 HA LYS 100 HA LYS 100 3.551 -0.155 -5.139 739 1HB LYS 100 HB2 LYS 100 3.588 1.061 -7.913 740 2HB LYS 100 HB1 LYS 100 4.839 0.073 -7.160 741 1HG LYS 100 HG2 LYS 100 3.341 -1.862 -7.132 742 2HG LYS 100 HG1 LYS 100 2.033 -0.884 -7.799 743 1HD LYS 100 HD2 LYS 100 4.344 -0.567 -9.465 744 2HD LYS 100 HD1 LYS 100 4.056 -2.290 -9.224 745 1HE LYS 100 HE2 LYS 100 2.707 -1.758 -11.088 746 2HE LYS 100 HE1 LYS 100 1.576 -1.738 -9.734 747 1HZ LYS 100 HZ1 LYS 100 1.225 0.431 -9.981 748 2HZ LYS 100 HZ2 LYS 100 1.983 0.290 -11.495 749 3HZ LYS 100 HZ3 LYS 100 2.877 0.782 -10.137 750 H ILE 101 HN ILE 101 4.994 1.195 -4.135 751 HA ILE 101 HA ILE 101 4.437 4.108 -4.278 752 HB ILE 101 HB ILE 101 5.440 2.259 -2.231 753 1HG1 ILE 101 2HG1 ILE 101 4.214 5.021 -2.311 754 2HG1 ILE 101 1HG1 ILE 101 3.457 3.508 -1.813 755 1HG2 ILE 101 1HG2 ILE 101 6.834 4.945 -2.474 756 2HG2 ILE 101 2HG2 ILE 101 7.597 3.390 -2.809 757 3HG2 ILE 101 3HG2 ILE 101 7.042 3.766 -1.178 758 1HD1 ILE 101 HD11 ILE 101 4.016 4.064 0.305 759 2HD1 ILE 101 HD12 ILE 101 5.064 5.372 -0.243 760 3HD1 ILE 101 HD13 ILE 101 5.687 3.725 -0.147 761 H THR 102 HN THR 102 5.853 5.499 -5.274 762 HA THR 102 HA THR 102 8.367 4.299 -6.353 763 HB THR 102 HB THR 102 7.613 6.924 -7.413 764 HG1 THR 102 HG1 THR 102 5.889 4.715 -7.847 765 1HG2 THR 102 1HG2 THR 102 8.703 4.347 -8.272 766 2HG2 THR 102 2HG2 THR 102 9.003 5.963 -8.912 767 3HG2 THR 102 3HG2 THR 102 7.594 5.048 -9.451 768 H VAL 103 HN VAL 103 9.807 4.690 -4.658 769 HA VAL 103 HA VAL 103 9.924 7.454 -3.571 770 HB VAL 103 HB VAL 103 11.558 5.091 -2.637 771 1HG1 VAL 103 1HG1 VAL 103 10.873 6.639 -0.480 772 2HG1 VAL 103 2HG1 VAL 103 11.009 7.848 -1.757 773 3HG1 VAL 103 3HG1 VAL 103 12.378 6.800 -1.385 774 1HG2 VAL 103 1HG2 VAL 103 9.597 5.096 -0.844 775 2HG2 VAL 103 2HG2 VAL 103 9.454 4.163 -2.334 776 3HG2 VAL 103 3HG2 VAL 103 8.668 5.736 -2.199 777 H ALA 104 HN ALA 104 10.804 8.114 -5.755 778 HA ALA 104 HA ALA 104 12.608 8.721 -7.125 779 1HB ALA 104 HB1 ALA 104 14.637 9.307 -5.972 780 2HB ALA 104 HB2 ALA 104 14.271 8.202 -4.647 781 3HB ALA 104 HB3 ALA 104 13.304 9.660 -4.874 782 H GLY 105 HN GLY 105 11.849 5.890 -7.033 783 1HA GLY 105 HA2 GLY 105 14.172 4.211 -6.918 784 2HA GLY 105 HA1 GLY 105 12.669 3.810 -7.748 Start of MODEL 16 1 1H GLU 1 HT1 GLU 1 3.356 16.611 3.517 2 2H GLU 1 HT2 GLU 1 4.957 17.052 3.156 3 3H GLU 1 HT3 GLU 1 4.646 15.829 4.293 4 HA GLU 1 HA GLU 1 3.974 15.672 1.404 5 1HB GLU 1 HB2 GLU 1 6.473 15.633 2.216 6 2HB GLU 1 HB1 GLU 1 6.062 14.022 2.801 7 1HG GLU 1 HG2 GLU 1 6.536 13.323 0.699 8 2HG GLU 1 HG1 GLU 1 4.978 14.025 0.262 9 H THR 2 HN THR 2 1.853 14.883 2.032 10 HA THR 2 HA THR 2 1.960 12.127 3.191 11 HB THR 2 HB THR 2 -0.628 13.301 3.580 12 HG1 THR 2 HG1 THR 2 1.227 14.726 5.068 13 1HG2 THR 2 1HG2 THR 2 0.399 13.059 6.059 14 2HG2 THR 2 2HG2 THR 2 1.564 12.079 5.169 15 3HG2 THR 2 3HG2 THR 2 -0.151 11.673 5.117 16 H TYR 3 HN TYR 3 1.605 10.817 1.449 17 HA TYR 3 HA TYR 3 -0.157 11.692 -0.743 18 1HB TYR 3 HB2 TYR 3 1.674 9.362 -0.259 19 2HB TYR 3 HB1 TYR 3 0.425 9.229 -1.498 20 HD1 TYR 3 HD1 TYR 3 0.461 10.640 -3.491 21 HD2 TYR 3 HD2 TYR 3 3.500 10.985 -0.474 22 HE1 TYR 3 HE1 TYR 3 1.859 11.968 -5.050 23 HE2 TYR 3 HE2 TYR 3 4.898 12.312 -2.034 24 HH TYR 3 HH TYR 3 4.065 12.661 -5.403 25 H THR 4 HN THR 4 -1.945 10.192 -1.470 26 HA THR 4 HA THR 4 -3.042 8.426 0.623 27 HB THR 4 HB THR 4 -4.912 10.516 -0.424 28 HG1 THR 4 HG1 THR 4 -4.312 11.865 1.283 29 1HG2 THR 4 1HG2 THR 4 -6.217 9.874 1.358 30 2HG2 THR 4 2HG2 THR 4 -4.827 9.529 2.388 31 3HG2 THR 4 3HG2 THR 4 -5.304 8.380 1.137 32 H VAL 5 HN VAL 5 -3.439 6.630 -0.587 33 HA VAL 5 HA VAL 5 -4.548 6.988 -3.329 34 HB VAL 5 HB VAL 5 -3.925 4.517 -3.517 35 1HG1 VAL 5 1HG1 VAL 5 -1.625 6.385 -2.903 36 2HG1 VAL 5 2HG1 VAL 5 -2.569 6.467 -4.390 37 3HG1 VAL 5 3HG1 VAL 5 -1.625 5.023 -4.024 38 1HG2 VAL 5 1HG2 VAL 5 -2.385 3.620 -1.885 39 2HG2 VAL 5 2HG2 VAL 5 -3.802 4.205 -1.015 40 3HG2 VAL 5 3HG2 VAL 5 -2.319 5.160 -1.030 41 H LYS 6 HN LYS 6 -6.696 7.429 -2.360 42 HA LYS 6 HA LYS 6 -8.084 5.641 -0.651 43 1HB LYS 6 HB2 LYS 6 -8.768 7.861 -2.438 44 2HB LYS 6 HB1 LYS 6 -10.046 6.650 -2.330 45 1HG LYS 6 HG2 LYS 6 -9.993 6.792 0.125 46 2HG LYS 6 HG1 LYS 6 -8.696 7.985 0.034 47 1HD LYS 6 HD2 LYS 6 -11.087 8.610 -1.591 48 2HD LYS 6 HD1 LYS 6 -11.341 8.636 0.155 49 1HE LYS 6 HE2 LYS 6 -9.966 10.442 0.464 50 2HE LYS 6 HE1 LYS 6 -8.868 9.955 -0.828 51 1HZ LYS 6 HZ1 LYS 6 -11.551 10.724 -1.640 52 2HZ LYS 6 HZ2 LYS 6 -10.055 11.047 -2.378 53 3HZ LYS 6 HZ3 LYS 6 -10.569 11.975 -1.050 54 H LEU 7 HN LEU 7 -9.505 3.884 -1.107 55 HA LEU 7 HA LEU 7 -9.177 2.727 -3.840 56 1HB LEU 7 HB2 LEU 7 -9.804 0.571 -2.383 57 2HB LEU 7 HB1 LEU 7 -8.139 1.101 -2.587 58 HG LEU 7 HG LEU 7 -8.508 2.496 -0.455 59 1HD1 LEU 7 HD11 LEU 7 -10.569 0.579 0.409 60 2HD1 LEU 7 HD12 LEU 7 -11.126 1.729 -0.804 61 3HD1 LEU 7 HD13 LEU 7 -10.449 2.311 0.715 62 1HD2 LEU 7 HD21 LEU 7 -7.503 0.016 -0.840 63 2HD2 LEU 7 HD22 LEU 7 -8.821 -0.370 0.267 64 3HD2 LEU 7 HD23 LEU 7 -7.574 0.781 0.748 65 H GLY 8 HN GLY 8 -11.075 0.832 -3.892 66 1HA GLY 8 HA2 GLY 8 -13.381 0.455 -4.103 67 2HA GLY 8 HA1 GLY 8 -13.596 1.521 -2.716 68 H SER 9 HN SER 9 -13.403 1.396 -6.222 69 HA SER 9 HA SER 9 -13.678 4.219 -6.695 70 1HB SER 9 HB2 SER 9 -14.797 3.191 -8.893 71 2HB SER 9 HB1 SER 9 -13.054 3.140 -8.635 72 HG SER 9 HG SER 9 -13.175 1.049 -8.397 73 H ASP 10 HN ASP 10 -15.888 1.735 -5.751 74 HA ASP 10 HA ASP 10 -18.090 2.012 -4.918 75 1HB ASP 10 HB2 ASP 10 -17.390 4.498 -4.663 76 2HB ASP 10 HB1 ASP 10 -18.213 4.737 -6.205 77 H LYS 11 HN LYS 11 -17.070 1.302 -7.733 78 HA LYS 11 HA LYS 11 -19.695 1.619 -9.135 79 1HB LYS 11 HB2 LYS 11 -16.861 1.541 -10.136 80 2HB LYS 11 HB1 LYS 11 -18.172 1.009 -11.190 81 1HG LYS 11 HG2 LYS 11 -18.182 3.250 -11.723 82 2HG LYS 11 HG1 LYS 11 -19.268 3.298 -10.333 83 1HD LYS 11 HD2 LYS 11 -17.372 3.849 -8.858 84 2HD LYS 11 HD1 LYS 11 -16.276 3.789 -10.238 85 1HE LYS 11 HE2 LYS 11 -18.541 5.511 -10.801 86 2HE LYS 11 HE1 LYS 11 -17.710 6.027 -9.333 87 1HZ LYS 11 HZ1 LYS 11 -15.618 5.585 -10.838 88 2HZ LYS 11 HZ2 LYS 11 -16.444 7.069 -10.883 89 3HZ LYS 11 HZ3 LYS 11 -16.724 5.900 -12.084 90 H GLY 12 HN GLY 12 -18.219 -0.524 -7.269 91 1HA GLY 12 HA2 GLY 12 -19.098 -2.801 -7.090 92 2HA GLY 12 HA1 GLY 12 -19.258 -2.830 -8.847 93 H LEU 13 HN LEU 13 -16.365 -1.341 -8.080 94 HA LEU 13 HA LEU 13 -14.864 -3.919 -8.085 95 1HB LEU 13 HB2 LEU 13 -13.269 -2.824 -9.725 96 2HB LEU 13 HB1 LEU 13 -14.854 -3.225 -10.387 97 HG LEU 13 HG LEU 13 -14.515 -0.524 -9.160 98 1HD1 LEU 13 HD11 LEU 13 -13.652 -1.047 -12.006 99 2HD1 LEU 13 HD12 LEU 13 -12.492 -1.052 -10.678 100 3HD1 LEU 13 HD13 LEU 13 -13.412 0.408 -11.039 101 1HD2 LEU 13 HD21 LEU 13 -16.642 -0.673 -10.004 102 2HD2 LEU 13 HD22 LEU 13 -16.199 -1.914 -11.176 103 3HD2 LEU 13 HD23 LEU 13 -15.839 -0.219 -11.507 104 H LEU 14 HN LEU 14 -12.702 -3.732 -7.217 105 HA LEU 14 HA LEU 14 -12.332 -1.291 -5.523 106 1HB LEU 14 HB2 LEU 14 -11.399 -4.143 -5.064 107 2HB LEU 14 HB1 LEU 14 -11.019 -2.778 -4.015 108 HG LEU 14 HG LEU 14 -13.838 -3.666 -4.682 109 1HD1 LEU 14 HD11 LEU 14 -13.833 -5.050 -2.870 110 2HD1 LEU 14 HD12 LEU 14 -12.777 -3.987 -1.939 111 3HD1 LEU 14 HD13 LEU 14 -12.089 -5.082 -3.138 112 1HD2 LEU 14 HD21 LEU 14 -12.605 -1.574 -2.897 113 2HD2 LEU 14 HD22 LEU 14 -14.190 -2.247 -2.519 114 3HD2 LEU 14 HD23 LEU 14 -13.933 -1.402 -4.046 115 H VAL 15 HN VAL 15 -10.640 -0.037 -6.177 116 HA VAL 15 HA VAL 15 -8.182 -1.345 -7.180 117 HB VAL 15 HB VAL 15 -8.137 0.258 -9.142 118 1HG1 VAL 15 1HG1 VAL 15 -10.565 -1.366 -9.594 119 2HG1 VAL 15 2HG1 VAL 15 -9.193 -2.254 -8.931 120 3HG1 VAL 15 3HG1 VAL 15 -9.024 -1.379 -10.453 121 1HG2 VAL 15 1HG2 VAL 15 -10.988 0.656 -8.199 122 2HG2 VAL 15 2HG2 VAL 15 -10.467 1.036 -9.840 123 3HG2 VAL 15 3HG2 VAL 15 -9.759 1.891 -8.470 124 H PHE 16 HN PHE 16 -6.328 0.077 -7.084 125 HA PHE 16 HA PHE 16 -6.534 2.082 -4.977 126 1HB PHE 16 HB2 PHE 16 -4.329 0.897 -6.621 127 2HB PHE 16 HB1 PHE 16 -4.037 2.448 -5.835 128 HD1 PHE 16 HD1 PHE 16 -4.613 2.621 -3.306 129 HD2 PHE 16 HD2 PHE 16 -4.133 -1.099 -5.401 130 HE1 PHE 16 HE1 PHE 16 -4.231 1.455 -1.150 131 HE2 PHE 16 HE2 PHE 16 -3.753 -2.264 -3.246 132 HZ PHE 16 HZ PHE 16 -3.799 -0.987 -1.120 133 H GLU 17 HN GLU 17 -5.934 4.355 -5.270 134 HA GLU 17 HA GLU 17 -6.070 5.340 -8.068 135 1HB GLU 17 HB2 GLU 17 -7.839 6.333 -5.817 136 2HB GLU 17 HB1 GLU 17 -7.757 7.029 -7.436 137 1HG GLU 17 HG2 GLU 17 -8.165 4.318 -7.911 138 2HG GLU 17 HG1 GLU 17 -9.186 4.654 -6.513 139 HA PRO 18 HA PRO 18 -4.974 6.240 -9.212 140 1HB PRO 18 HB2 PRO 18 -2.344 6.549 -9.929 141 2HB PRO 18 HB1 PRO 18 -3.531 7.860 -9.977 142 1HG PRO 18 HG2 PRO 18 -1.323 7.383 -8.033 143 2HG PRO 18 HG1 PRO 18 -2.097 8.906 -8.501 144 1HD PRO 18 HD2 PRO 18 -2.595 7.458 -6.129 145 2HD PRO 18 HD1 PRO 18 -3.586 8.784 -6.773 146 H ALA 19 HN ALA 19 -3.422 4.570 -10.491 147 HA ALA 19 HA ALA 19 -3.327 2.175 -8.886 148 1HB ALA 19 HB1 ALA 19 -3.772 2.174 -11.339 149 2HB ALA 19 HB2 ALA 19 -2.438 1.107 -10.900 150 3HB ALA 19 HB3 ALA 19 -2.107 2.685 -11.616 151 H LYS 20 HN LYS 20 -0.709 3.974 -10.550 152 HA LYS 20 HA LYS 20 1.224 2.740 -8.654 153 1HB LYS 20 HB2 LYS 20 2.949 3.624 -10.208 154 2HB LYS 20 HB1 LYS 20 1.788 2.590 -11.042 155 1HG LYS 20 HG2 LYS 20 0.729 5.229 -11.073 156 2HG LYS 20 HG1 LYS 20 2.420 5.341 -11.564 157 1HD LYS 20 HD2 LYS 20 1.877 3.304 -13.090 158 2HD LYS 20 HD1 LYS 20 0.193 3.761 -12.837 159 1HE LYS 20 HE2 LYS 20 0.633 6.004 -13.698 160 2HE LYS 20 HE1 LYS 20 2.348 5.629 -13.866 161 1HZ LYS 20 HZ1 LYS 20 0.479 3.815 -15.168 162 2HZ LYS 20 HZ2 LYS 20 1.996 4.376 -15.690 163 3HZ LYS 20 HZ3 LYS 20 0.622 5.363 -15.847 164 H LEU 21 HN LEU 21 3.008 4.310 -7.897 165 HA LEU 21 HA LEU 21 2.239 7.127 -7.707 166 1HB LEU 21 HB2 LEU 21 1.069 5.492 -5.853 167 2HB LEU 21 HB1 LEU 21 2.551 5.953 -5.015 168 HG LEU 21 HG LEU 21 1.000 8.096 -6.411 169 1HD1 LEU 21 HD11 LEU 21 -0.871 7.503 -5.255 170 2HD1 LEU 21 HD12 LEU 21 -0.023 8.201 -3.875 171 3HD1 LEU 21 HD13 LEU 21 0.026 6.460 -4.151 172 1HD2 LEU 21 HD21 LEU 21 1.955 8.574 -3.705 173 2HD2 LEU 21 HD22 LEU 21 2.388 9.404 -5.201 174 3HD2 LEU 21 HD23 LEU 21 3.240 7.934 -4.729 175 H THR 22 HN THR 22 3.989 8.417 -7.033 176 HA THR 22 HA THR 22 6.541 6.928 -6.562 177 HB THR 22 HB THR 22 6.137 9.664 -7.811 178 HG1 THR 22 HG1 THR 22 7.246 7.497 -9.156 179 1HG2 THR 22 1HG2 THR 22 8.657 7.999 -7.671 180 2HG2 THR 22 2HG2 THR 22 8.272 9.249 -6.488 181 3HG2 THR 22 3HG2 THR 22 8.500 9.680 -8.182 182 H ILE 23 HN ILE 23 7.062 7.079 -4.435 183 HA ILE 23 HA ILE 23 6.509 9.654 -3.051 184 HB ILE 23 HB ILE 23 6.559 8.254 -0.938 185 1HG1 ILE 23 2HG1 ILE 23 5.819 5.784 -2.205 186 2HG1 ILE 23 1HG1 ILE 23 7.393 6.282 -2.821 187 1HG2 ILE 23 1HG2 ILE 23 4.399 7.183 -2.695 188 2HG2 ILE 23 2HG2 ILE 23 4.510 8.932 -2.495 189 3HG2 ILE 23 3HG2 ILE 23 4.289 7.896 -1.085 190 1HD1 ILE 23 HD11 ILE 23 8.179 6.595 -0.476 191 2HD1 ILE 23 HD12 ILE 23 7.710 4.930 -0.815 192 3HD1 ILE 23 HD13 ILE 23 6.628 5.982 0.097 193 H LYS 24 HN LYS 24 8.069 10.147 -1.279 194 HA LYS 24 HA LYS 24 10.800 9.694 -2.232 195 1HB LYS 24 HB2 LYS 24 9.970 11.109 0.314 196 2HB LYS 24 HB1 LYS 24 11.437 11.359 -0.629 197 1HG LYS 24 HG2 LYS 24 8.720 11.841 -1.839 198 2HG LYS 24 HG1 LYS 24 9.533 13.092 -0.897 199 1HD LYS 24 HD2 LYS 24 11.069 11.695 -3.058 200 2HD LYS 24 HD1 LYS 24 9.902 12.936 -3.514 201 1HE LYS 24 HE2 LYS 24 11.018 14.597 -2.189 202 2HE LYS 24 HE1 LYS 24 12.040 13.383 -1.419 203 1HZ LYS 24 HZ1 LYS 24 12.066 14.113 -4.298 204 2HZ LYS 24 HZ2 LYS 24 13.030 12.912 -3.580 205 3HZ LYS 24 HZ3 LYS 24 13.240 14.543 -3.152 206 HA PRO 25 HA PRO 25 11.750 6.434 0.535 207 1HB PRO 25 HB2 PRO 25 14.312 7.060 1.331 208 2HB PRO 25 HB1 PRO 25 13.905 6.418 -0.270 209 1HG PRO 25 HG2 PRO 25 14.633 9.206 0.505 210 2HG PRO 25 HG1 PRO 25 14.851 8.379 -1.047 211 1HD PRO 25 HD2 PRO 25 12.826 10.246 -0.456 212 2HD PRO 25 HD1 PRO 25 12.835 9.140 -1.845 213 H GLY 26 HN GLY 26 10.167 7.072 2.180 214 1HA GLY 26 HA2 GLY 26 10.426 6.990 4.726 215 2HA GLY 26 HA1 GLY 26 11.389 8.457 4.538 216 H ASP 27 HN ASP 27 8.972 8.514 2.240 217 HA ASP 27 HA ASP 27 7.567 10.665 3.568 218 1HB ASP 27 HB2 ASP 27 7.211 9.154 0.995 219 2HB ASP 27 HB1 ASP 27 5.923 10.216 1.567 220 H THR 28 HN THR 28 4.947 10.381 3.350 221 HA THR 28 HA THR 28 4.300 7.894 4.846 222 HB THR 28 HB THR 28 2.469 10.134 5.271 223 HG1 THR 28 HG1 THR 28 4.012 11.259 6.579 224 1HG2 THR 28 1HG2 THR 28 2.913 7.868 6.548 225 2HG2 THR 28 2HG2 THR 28 2.452 9.316 7.444 226 3HG2 THR 28 3HG2 THR 28 4.144 8.819 7.379 227 H VAL 29 HN VAL 29 2.875 6.614 3.772 228 HA VAL 29 HA VAL 29 1.155 7.882 1.704 229 HB VAL 29 HB VAL 29 1.614 4.927 1.787 230 1HG1 VAL 29 1HG1 VAL 29 1.713 6.688 -0.636 231 2HG1 VAL 29 2HG1 VAL 29 0.157 6.414 0.148 232 3HG1 VAL 29 3HG1 VAL 29 1.086 5.048 -0.471 233 1HG2 VAL 29 1HG2 VAL 29 3.721 5.127 0.605 234 2HG2 VAL 29 2HG2 VAL 29 3.858 6.039 2.109 235 3HG2 VAL 29 3HG2 VAL 29 3.594 6.886 0.584 236 H GLU 30 HN GLU 30 -1.080 7.324 1.677 237 HA GLU 30 HA GLU 30 -2.008 5.940 4.141 238 1HB GLU 30 HB2 GLU 30 -2.527 8.398 4.014 239 2HB GLU 30 HB1 GLU 30 -3.508 8.059 2.587 240 1HG GLU 30 HG2 GLU 30 -5.064 8.015 4.367 241 2HG GLU 30 HG1 GLU 30 -4.710 6.313 4.069 242 H PHE 31 HN PHE 31 -3.573 4.362 3.922 243 HA PHE 31 HA PHE 31 -4.815 3.908 1.267 244 1HB PHE 31 HB2 PHE 31 -3.948 1.367 2.362 245 2HB PHE 31 HB1 PHE 31 -3.628 2.045 0.768 246 HD1 PHE 31 HD1 PHE 31 -2.459 2.030 4.309 247 HD2 PHE 31 HD2 PHE 31 -1.497 2.989 0.232 248 HE1 PHE 31 HE1 PHE 31 -0.106 2.448 4.961 249 HE2 PHE 31 HE2 PHE 31 0.855 3.407 0.888 250 HZ PHE 31 HZ PHE 31 1.550 3.139 3.251 251 H LEU 32 HN LEU 32 -6.790 4.460 2.341 252 HA LEU 32 HA LEU 32 -7.588 2.831 4.680 253 1HB LEU 32 HB2 LEU 32 -9.483 4.417 4.812 254 2HB LEU 32 HB1 LEU 32 -7.931 5.255 4.797 255 HG LEU 32 HG LEU 32 -9.009 4.769 2.112 256 1HD1 LEU 32 HD11 LEU 32 -11.152 5.332 2.604 257 2HD1 LEU 32 HD12 LEU 32 -10.521 6.969 2.796 258 3HD1 LEU 32 HD13 LEU 32 -10.719 5.928 4.206 259 1HD2 LEU 32 HD21 LEU 32 -8.607 7.398 2.238 260 2HD2 LEU 32 HD22 LEU 32 -7.247 6.279 2.151 261 3HD2 LEU 32 HD23 LEU 32 -7.729 6.961 3.704 262 H ASN 33 HN ASN 33 -10.112 2.413 4.617 263 HA ASN 33 HA ASN 33 -10.565 0.680 2.265 264 1HB ASN 33 HB2 ASN 33 -11.930 -0.587 3.634 265 2HB ASN 33 HB1 ASN 33 -10.882 0.124 4.852 266 1HD2 ASN 33 HD21 ASN 33 -13.401 -0.755 5.609 267 2HD2 ASN 33 HD22 ASN 33 -14.374 0.576 5.980 268 H ASN 34 HN ASN 34 -12.847 0.670 1.345 269 HA ASN 34 HA ASN 34 -13.904 3.468 1.279 270 1HB ASN 34 HB2 ASN 34 -12.953 2.780 -0.880 271 2HB ASN 34 HB1 ASN 34 -13.983 1.349 -0.891 272 1HD2 ASN 34 HD21 ASN 34 -15.718 1.680 -2.284 273 2HD2 ASN 34 HD22 ASN 34 -16.569 3.138 -2.455 274 H LYS 35 HN LYS 35 -15.396 0.522 -0.022 275 HA LYS 35 HA LYS 35 -17.378 0.543 2.175 276 1HB LYS 35 HB2 LYS 35 -19.278 0.675 0.642 277 2HB LYS 35 HB1 LYS 35 -18.254 2.095 0.430 278 1HG LYS 35 HG2 LYS 35 -17.743 1.538 -1.701 279 2HG LYS 35 HG1 LYS 35 -17.446 -0.147 -1.274 280 1HD LYS 35 HD2 LYS 35 -20.137 -0.072 -0.990 281 2HD LYS 35 HD1 LYS 35 -19.934 1.147 -2.249 282 1HE LYS 35 HE2 LYS 35 -18.545 -0.504 -3.536 283 2HE LYS 35 HE1 LYS 35 -18.951 -1.720 -2.324 284 1HZ LYS 35 HZ1 LYS 35 -21.208 -1.619 -2.885 285 2HZ LYS 35 HZ2 LYS 35 -20.396 -1.635 -4.378 286 3HZ LYS 35 HZ3 LYS 35 -21.026 -0.181 -3.766 287 H VAL 36 HN VAL 36 -15.317 -1.328 1.380 288 HA VAL 36 HA VAL 36 -16.995 -3.728 1.193 289 HB VAL 36 HB VAL 36 -14.780 -3.552 -0.831 290 1HG1 VAL 36 1HG1 VAL 36 -15.556 -5.669 -1.051 291 2HG1 VAL 36 2HG1 VAL 36 -16.937 -4.938 -1.868 292 3HG1 VAL 36 3HG1 VAL 36 -17.027 -5.312 -0.147 293 1HG2 VAL 36 1HG2 VAL 36 -17.633 -2.620 -1.289 294 2HG2 VAL 36 2HG2 VAL 36 -16.365 -2.729 -2.510 295 3HG2 VAL 36 3HG2 VAL 36 -16.228 -1.558 -1.199 296 HA PRO 37 HA PRO 37 -12.959 -3.980 3.547 297 1HB PRO 37 HB2 PRO 37 -14.068 -4.049 6.062 298 2HB PRO 37 HB1 PRO 37 -13.565 -2.555 5.255 299 1HG PRO 37 HG2 PRO 37 -16.318 -3.612 5.703 300 2HG PRO 37 HG1 PRO 37 -15.779 -1.936 5.507 301 1HD PRO 37 HD2 PRO 37 -17.022 -3.517 3.518 302 2HD PRO 37 HD1 PRO 37 -16.175 -1.978 3.253 303 HA PRO 38 HA PRO 38 -12.266 -4.567 5.721 304 1HB PRO 38 HB2 PRO 38 -10.517 -6.451 6.676 305 2HB PRO 38 HB1 PRO 38 -12.026 -6.029 7.503 306 1HG PRO 38 HG2 PRO 38 -11.364 -8.489 5.976 307 2HG PRO 38 HG1 PRO 38 -12.585 -8.246 7.234 308 1HD PRO 38 HD2 PRO 38 -13.023 -8.329 4.405 309 2HD PRO 38 HD1 PRO 38 -14.215 -7.937 5.663 310 H HIS 39 HN HIS 39 -9.941 -4.054 5.273 311 HA HIS 39 HA HIS 39 -8.982 -5.339 2.743 312 1HB HIS 39 HB2 HIS 39 -8.730 -2.471 3.685 313 2HB HIS 39 HB1 HIS 39 -7.863 -3.124 2.294 314 HD2 HIS 39 HD2 HIS 39 -11.651 -2.580 3.364 315 HE1 HIS 39 HE1 HIS 39 -11.448 -2.866 -0.841 316 HE2 HIS 39 HE2 HIS 39 -12.988 -2.511 1.136 317 H ASN 40 HN ASN 40 -6.757 -5.797 2.588 318 HA ASN 40 HA ASN 40 -5.219 -5.490 5.138 319 1HB ASN 40 HB2 ASN 40 -5.947 -7.867 4.399 320 2HB ASN 40 HB1 ASN 40 -4.735 -7.689 3.129 321 1HD2 ASN 40 HD21 ASN 40 -4.658 -6.577 6.557 322 2HD2 ASN 40 HD22 ASN 40 -3.242 -7.425 6.955 323 H VAL 41 HN VAL 41 -3.649 -3.993 4.819 324 HA VAL 41 HA VAL 41 -2.515 -3.666 2.088 325 HB VAL 41 HB VAL 41 -2.543 -1.929 4.561 326 1HG1 VAL 41 1HG1 VAL 41 -0.878 -1.612 2.047 327 2HG1 VAL 41 2HG1 VAL 41 -0.285 -1.753 3.702 328 3HG1 VAL 41 3HG1 VAL 41 -1.171 -0.312 3.202 329 1HG2 VAL 41 1HG2 VAL 41 -3.176 -0.622 2.089 330 2HG2 VAL 41 2HG2 VAL 41 -4.238 -0.933 3.462 331 3HG2 VAL 41 3HG2 VAL 41 -4.091 -2.127 2.173 332 H VAL 42 HN VAL 42 -0.700 -4.858 1.726 333 HA VAL 42 HA VAL 42 1.461 -4.761 3.730 334 HB VAL 42 HB VAL 42 0.771 -7.475 2.654 335 1HG1 VAL 42 1HG1 VAL 42 1.742 -6.781 5.413 336 2HG1 VAL 42 2HG1 VAL 42 2.862 -6.724 4.051 337 3HG1 VAL 42 3HG1 VAL 42 2.046 -8.233 4.460 338 1HG2 VAL 42 1HG2 VAL 42 -1.354 -6.779 3.569 339 2HG2 VAL 42 2HG2 VAL 42 -0.573 -6.082 4.988 340 3HG2 VAL 42 3HG2 VAL 42 -0.589 -7.831 4.760 341 H PHE 43 HN PHE 43 3.531 -5.458 2.819 342 HA PHE 43 HA PHE 43 3.546 -5.249 -0.162 343 1HB PHE 43 HB2 PHE 43 5.967 -4.822 1.580 344 2HB PHE 43 HB1 PHE 43 5.625 -4.163 -0.019 345 HD1 PHE 43 HD1 PHE 43 5.179 -3.780 3.565 346 HD2 PHE 43 HD2 PHE 43 3.936 -2.339 -0.283 347 HE1 PHE 43 HE1 PHE 43 4.251 -1.748 4.615 348 HE2 PHE 43 HE2 PHE 43 3.005 -0.303 0.783 349 HZ PHE 43 HZ PHE 43 3.172 -0.017 3.245 350 H ASP 44 HN ASP 44 3.734 -7.265 -1.040 351 HA ASP 44 HA ASP 44 4.540 -9.627 0.192 352 1HB ASP 44 HB2 ASP 44 3.661 -9.179 -2.237 353 2HB ASP 44 HB1 ASP 44 5.374 -9.098 -2.649 354 H ALA 45 HN ALA 45 6.596 -10.825 0.079 355 HA ALA 45 HA ALA 45 8.922 -8.985 0.221 356 1HB ALA 45 HB1 ALA 45 8.880 -11.792 1.308 357 2HB ALA 45 HB2 ALA 45 8.187 -10.458 2.230 358 3HB ALA 45 HB3 ALA 45 9.897 -10.438 1.799 359 H ALA 46 HN ALA 46 7.833 -10.145 -2.272 360 HA ALA 46 HA ALA 46 10.166 -11.860 -3.034 361 1HB ALA 46 HB1 ALA 46 7.946 -11.973 -4.902 362 2HB ALA 46 HB2 ALA 46 7.420 -12.401 -3.274 363 3HB ALA 46 HB3 ALA 46 8.739 -13.290 -4.036 364 H LEU 47 HN LEU 47 8.138 -9.111 -3.895 365 HA LEU 47 HA LEU 47 9.853 -8.603 -6.276 366 1HB LEU 47 HB2 LEU 47 7.336 -7.147 -5.418 367 2HB LEU 47 HB1 LEU 47 8.144 -7.040 -6.983 368 HG LEU 47 HG LEU 47 7.762 -9.746 -6.744 369 1HD1 LEU 47 HD11 LEU 47 6.281 -10.046 -5.048 370 2HD1 LEU 47 HD12 LEU 47 5.088 -9.444 -6.199 371 3HD1 LEU 47 HD13 LEU 47 5.819 -8.344 -5.029 372 1HD2 LEU 47 HD21 LEU 47 5.475 -8.896 -8.044 373 2HD2 LEU 47 HD22 LEU 47 7.063 -9.060 -8.793 374 3HD2 LEU 47 HD23 LEU 47 6.534 -7.493 -8.180 375 H ASN 48 HN ASN 48 11.500 -8.133 -4.376 376 HA ASN 48 HA ASN 48 11.220 -5.264 -3.581 377 1HB ASN 48 HB2 ASN 48 13.194 -6.038 -1.986 378 2HB ASN 48 HB1 ASN 48 11.513 -6.361 -1.556 379 1HD2 ASN 48 HD21 ASN 48 12.311 -8.276 -0.314 380 2HD2 ASN 48 HD22 ASN 48 12.712 -9.704 -1.140 381 HA PRO 49 HA PRO 49 14.717 -4.329 -6.064 382 1HB PRO 49 HB2 PRO 49 15.677 -2.158 -4.682 383 2HB PRO 49 HB1 PRO 49 14.214 -2.112 -5.681 384 1HG PRO 49 HG2 PRO 49 14.456 -2.134 -2.712 385 2HG PRO 49 HG1 PRO 49 13.145 -1.510 -3.726 386 1HD PRO 49 HD2 PRO 49 13.150 -3.979 -2.319 387 2HD PRO 49 HD1 PRO 49 11.971 -3.467 -3.545 388 H ALA 50 HN ALA 50 15.273 -4.626 -2.566 389 HA ALA 50 HA ALA 50 18.042 -5.570 -3.191 390 1HB ALA 50 HB1 ALA 50 17.051 -4.037 -0.770 391 2HB ALA 50 HB2 ALA 50 18.177 -3.458 -1.998 392 3HB ALA 50 HB3 ALA 50 18.659 -4.751 -0.901 393 H LYS 51 HN LYS 51 15.663 -7.199 -3.086 394 HA LYS 51 HA LYS 51 14.697 -9.014 -1.892 395 1HB LYS 51 HB2 LYS 51 16.329 -10.793 -1.634 396 2HB LYS 51 HB1 LYS 51 16.719 -9.876 -3.089 397 1HG LYS 51 HG2 LYS 51 18.639 -8.997 -2.188 398 2HG LYS 51 HG1 LYS 51 17.978 -8.955 -0.553 399 1HD LYS 51 HD2 LYS 51 19.765 -10.649 -0.748 400 2HD LYS 51 HD1 LYS 51 18.210 -11.398 -0.382 401 1HE LYS 51 HE2 LYS 51 18.606 -12.728 -2.169 402 2HE LYS 51 HE1 LYS 51 18.221 -11.313 -3.150 403 1HZ LYS 51 HZ1 LYS 51 20.282 -11.572 -3.932 404 2HZ LYS 51 HZ2 LYS 51 20.768 -12.562 -2.638 405 3HZ LYS 51 HZ3 LYS 51 20.788 -10.870 -2.473 406 H SER 52 HN SER 52 14.632 -6.942 -0.103 407 HA SER 52 HA SER 52 15.543 -8.264 2.421 408 1HB SER 52 HB2 SER 52 15.836 -5.435 1.511 409 2HB SER 52 HB1 SER 52 15.501 -5.716 3.217 410 HG SER 52 HG SER 52 17.438 -7.303 1.991 411 H ALA 53 HN ALA 53 14.019 -8.318 4.074 412 HA ALA 53 HA ALA 53 11.364 -7.082 3.448 413 1HB ALA 53 HB1 ALA 53 11.671 -9.548 5.148 414 2HB ALA 53 HB2 ALA 53 11.629 -9.682 3.390 415 3HB ALA 53 HB3 ALA 53 10.257 -8.990 4.255 416 H ASP 54 HN ASP 54 13.918 -6.548 5.287 417 HA ASP 54 HA ASP 54 12.972 -6.567 7.982 418 1HB ASP 54 HB2 ASP 54 15.368 -6.150 7.096 419 2HB ASP 54 HB1 ASP 54 14.853 -4.477 6.883 420 H LEU 55 HN LEU 55 12.722 -4.139 5.402 421 HA LEU 55 HA LEU 55 11.336 -2.249 7.157 422 1HB LEU 55 HB2 LEU 55 11.237 -0.808 5.259 423 2HB LEU 55 HB1 LEU 55 12.801 -1.616 5.162 424 HG LEU 55 HG LEU 55 11.177 -3.365 3.799 425 1HD1 LEU 55 HD11 LEU 55 10.194 -1.443 2.147 426 2HD1 LEU 55 HD12 LEU 55 10.003 -0.647 3.710 427 3HD1 LEU 55 HD13 LEU 55 9.242 -2.211 3.418 428 1HD2 LEU 55 HD21 LEU 55 13.043 -1.154 3.044 429 2HD2 LEU 55 HD22 LEU 55 12.138 -1.947 1.755 430 3HD2 LEU 55 HD23 LEU 55 13.207 -2.891 2.793 431 H ALA 56 HN ALA 56 10.448 -4.707 4.787 432 HA ALA 56 HA ALA 56 7.685 -3.906 4.556 433 1HB ALA 56 HB1 ALA 56 8.681 -5.363 2.876 434 2HB ALA 56 HB2 ALA 56 7.358 -6.222 3.665 435 3HB ALA 56 HB3 ALA 56 9.029 -6.587 4.097 436 H LYS 57 HN LYS 57 9.376 -6.281 6.604 437 HA LYS 57 HA LYS 57 7.192 -7.460 7.891 438 1HB LYS 57 HB2 LYS 57 9.708 -7.905 8.221 439 2HB LYS 57 HB1 LYS 57 9.659 -6.596 9.403 440 1HG LYS 57 HG2 LYS 57 8.502 -7.839 10.921 441 2HG LYS 57 HG1 LYS 57 7.506 -8.601 9.681 442 1HD LYS 57 HD2 LYS 57 10.232 -9.460 9.358 443 2HD LYS 57 HD1 LYS 57 9.734 -9.722 11.030 444 1HE LYS 57 HE2 LYS 57 8.000 -11.164 10.431 445 2HE LYS 57 HE1 LYS 57 7.882 -10.503 8.800 446 1HZ LYS 57 HZ1 LYS 57 8.915 -12.671 8.762 447 2HZ LYS 57 HZ2 LYS 57 10.110 -12.160 9.858 448 3HZ LYS 57 HZ3 LYS 57 10.041 -11.491 8.298 449 H SER 58 HN SER 58 8.527 -4.232 8.340 450 HA SER 58 HA SER 58 6.556 -3.759 10.533 451 1HB SER 58 HB2 SER 58 9.258 -2.988 10.197 452 2HB SER 58 HB1 SER 58 8.301 -1.517 10.043 453 HG SER 58 HG SER 58 8.101 -1.607 12.125 454 H LEU 59 HN LEU 59 7.669 -2.458 7.413 455 HA LEU 59 HA LEU 59 6.173 -0.155 7.134 456 1HB LEU 59 HB2 LEU 59 7.602 -1.477 5.371 457 2HB LEU 59 HB1 LEU 59 6.060 -2.180 4.913 458 HG LEU 59 HG LEU 59 5.147 0.091 4.563 459 1HD1 LEU 59 HD11 LEU 59 6.232 1.647 5.843 460 2HD1 LEU 59 HD12 LEU 59 7.252 1.795 4.413 461 3HD1 LEU 59 HD13 LEU 59 7.768 0.787 5.766 462 1HD2 LEU 59 HD21 LEU 59 7.130 0.675 2.777 463 2HD2 LEU 59 HD22 LEU 59 5.893 -0.552 2.500 464 3HD2 LEU 59 HD23 LEU 59 7.478 -1.021 3.115 465 H SER 60 HN SER 60 4.940 -3.407 6.296 466 HA SER 60 HA SER 60 2.222 -2.401 6.050 467 1HB SER 60 HB2 SER 60 1.661 -4.803 5.704 468 2HB SER 60 HB1 SER 60 2.971 -4.253 4.662 469 HG SER 60 HG SER 60 4.312 -5.521 5.685 470 H HIS 61 HN HIS 61 0.445 -3.000 7.369 471 HA HIS 61 HA HIS 61 1.175 -3.339 10.220 472 1HB HIS 61 HB2 HIS 61 -1.089 -2.603 10.691 473 2HB HIS 61 HB1 HIS 61 -0.401 -1.521 9.480 474 HD1 HIS 61 HD1 HIS 61 -3.190 -3.855 10.054 475 HD2 HIS 61 HD2 HIS 61 -1.312 -2.128 6.749 476 HE1 HIS 61 HE1 HIS 61 -4.758 -4.169 8.084 477 H LYS 62 HN LYS 62 -0.617 -4.728 11.449 478 HA LYS 62 HA LYS 62 -0.849 -7.292 9.927 479 1HB LYS 62 HB2 LYS 62 -0.353 -6.693 12.839 480 2HB LYS 62 HB1 LYS 62 -1.011 -8.251 12.340 481 1HG LYS 62 HG2 LYS 62 1.255 -7.446 10.688 482 2HG LYS 62 HG1 LYS 62 1.688 -7.564 12.394 483 1HD LYS 62 HD2 LYS 62 0.098 -9.734 11.029 484 2HD LYS 62 HD1 LYS 62 1.861 -9.717 10.974 485 1HE LYS 62 HE2 LYS 62 1.185 -9.224 13.665 486 2HE LYS 62 HE1 LYS 62 0.120 -10.528 13.139 487 1HZ LYS 62 HZ1 LYS 62 2.893 -10.610 13.686 488 2HZ LYS 62 HZ2 LYS 62 2.610 -11.085 12.079 489 3HZ LYS 62 HZ3 LYS 62 1.833 -11.891 13.357 490 H GLN 63 HN GLN 63 -2.462 -5.572 12.634 491 HA GLN 63 HA GLN 63 -4.870 -6.932 12.702 492 1HB GLN 63 HB2 GLN 63 -5.888 -4.946 13.583 493 2HB GLN 63 HB1 GLN 63 -4.201 -4.912 14.098 494 1HG GLN 63 HG2 GLN 63 -3.744 -3.524 11.993 495 2HG GLN 63 HG1 GLN 63 -5.494 -3.344 11.862 496 1HE2 GLN 63 1HE2 GLN 63 -5.791 -3.367 14.876 497 2HE2 GLN 63 2HE2 GLN 63 -5.271 -1.833 15.381 498 H LEU 64 HN LEU 64 -6.807 -6.891 11.514 499 HA LEU 64 HA LEU 64 -6.524 -6.202 8.692 500 1HB LEU 64 HB2 LEU 64 -8.650 -7.479 10.388 501 2HB LEU 64 HB1 LEU 64 -9.065 -6.895 8.776 502 HG LEU 64 HG LEU 64 -6.737 -8.222 8.256 503 1HD1 LEU 64 HD11 LEU 64 -6.468 -10.116 9.577 504 2HD1 LEU 64 HD12 LEU 64 -8.148 -10.105 10.114 505 3HD1 LEU 64 HD13 LEU 64 -6.999 -8.950 10.789 506 1HD2 LEU 64 HD21 LEU 64 -8.912 -8.425 7.065 507 2HD2 LEU 64 HD22 LEU 64 -9.514 -9.446 8.371 508 3HD2 LEU 64 HD23 LEU 64 -8.179 -10.002 7.362 509 H LEU 65 HN LEU 65 -8.334 -4.895 7.615 510 HA LEU 65 HA LEU 65 -8.694 -2.390 9.165 511 1HB LEU 65 HB2 LEU 65 -8.662 -3.125 6.271 512 2HB LEU 65 HB1 LEU 65 -9.644 -1.739 6.748 513 HG LEU 65 HG LEU 65 -7.737 -0.649 7.753 514 1HD1 LEU 65 HD11 LEU 65 -5.509 -1.724 7.757 515 2HD1 LEU 65 HD12 LEU 65 -6.219 -3.186 7.073 516 3HD1 LEU 65 HD13 LEU 65 -6.674 -2.660 8.694 517 1HD2 LEU 65 HD21 LEU 65 -7.816 -0.216 5.415 518 2HD2 LEU 65 HD22 LEU 65 -7.232 -1.831 5.016 519 3HD2 LEU 65 HD23 LEU 65 -6.137 -0.649 5.734 520 H MET 66 HN MET 66 -10.543 -2.413 10.373 521 HA MET 66 HA MET 66 -13.018 -3.481 9.074 522 1HB MET 66 HB2 MET 66 -11.934 -4.469 11.335 523 2HB MET 66 HB1 MET 66 -12.907 -3.173 12.032 524 1HG MET 66 HG2 MET 66 -14.822 -4.088 10.546 525 2HG MET 66 HG1 MET 66 -13.823 -5.534 10.394 526 1HE MET 66 HE1 MET 66 -16.689 -4.256 13.326 527 2HE MET 66 HE2 MET 66 -15.912 -3.310 12.060 528 3HE MET 66 HE3 MET 66 -15.313 -3.214 13.714 529 H SER 67 HN SER 67 -11.488 -0.665 9.880 530 HA SER 67 HA SER 67 -13.902 0.736 10.855 531 1HB SER 67 HB2 SER 67 -11.996 1.576 11.931 532 2HB SER 67 HB1 SER 67 -11.014 1.487 10.472 533 HG SER 67 HG SER 67 -12.711 3.459 11.365 534 HA PRO 68 HA PRO 68 -15.059 2.066 6.826 535 1HB PRO 68 HB2 PRO 68 -16.659 4.168 7.583 536 2HB PRO 68 HB1 PRO 68 -17.144 2.469 7.720 537 1HG PRO 68 HG2 PRO 68 -16.299 4.359 9.866 538 2HG PRO 68 HG1 PRO 68 -17.351 2.938 9.974 539 1HD PRO 68 HD2 PRO 68 -14.635 3.053 10.764 540 2HD PRO 68 HD1 PRO 68 -15.600 1.577 10.552 541 H GLY 69 HN GLY 69 -12.908 2.877 6.165 542 1HA GLY 69 HA2 GLY 69 -11.842 4.726 5.083 543 2HA GLY 69 HA1 GLY 69 -12.893 5.825 5.973 544 H GLN 70 HN GLN 70 -10.979 3.236 7.430 545 HA GLN 70 HA GLN 70 -9.021 5.209 8.447 546 1HB GLN 70 HB2 GLN 70 -11.184 4.787 9.991 547 2HB GLN 70 HB1 GLN 70 -10.209 3.408 10.502 548 1HG GLN 70 HG2 GLN 70 -8.292 5.243 10.627 549 2HG GLN 70 HG1 GLN 70 -9.666 6.334 10.818 550 1HE2 GLN 70 1HE2 GLN 70 -11.424 5.184 12.446 551 2HE2 GLN 70 2HE2 GLN 70 -10.733 4.643 13.899 552 H SER 71 HN SER 71 -7.404 4.051 7.337 553 HA SER 71 HA SER 71 -7.105 1.172 7.995 554 1HB SER 71 HB2 SER 71 -5.231 1.391 6.232 555 2HB SER 71 HB1 SER 71 -6.901 1.478 5.681 556 HG SER 71 HG SER 71 -5.035 3.257 5.317 557 H THR 72 HN THR 72 -4.223 2.779 7.085 558 HA THR 72 HA THR 72 -3.337 3.492 9.767 559 HB THR 72 HB THR 72 -3.117 1.011 9.809 560 HG1 THR 72 HG1 THR 72 -1.191 2.810 10.218 561 1HG2 THR 72 1HG2 THR 72 -0.911 0.989 7.861 562 2HG2 THR 72 2HG2 THR 72 -2.499 1.277 7.149 563 3HG2 THR 72 3HG2 THR 72 -2.211 -0.177 8.104 564 H SER 73 HN SER 73 -2.006 5.218 9.406 565 HA SER 73 HA SER 73 -1.020 5.740 6.704 566 1HB SER 73 HB2 SER 73 -0.622 7.213 9.325 567 2HB SER 73 HB1 SER 73 -0.033 7.788 7.768 568 HG SER 73 HG SER 73 -1.966 8.665 7.739 569 H THR 74 HN THR 74 0.375 3.843 6.496 570 HA THR 74 HA THR 74 2.544 3.256 8.237 571 HB THR 74 HB THR 74 2.362 2.850 5.232 572 HG1 THR 74 HG1 THR 74 2.028 0.826 7.114 573 1HG2 THR 74 1HG2 THR 74 3.996 0.966 5.804 574 2HG2 THR 74 2HG2 THR 74 4.229 1.779 7.352 575 3HG2 THR 74 3HG2 THR 74 4.645 2.606 5.850 576 H THR 75 HN THR 75 3.831 4.980 8.853 577 HA THR 75 HA THR 75 4.734 6.962 6.899 578 HB THR 75 HB THR 75 4.419 7.686 9.200 579 HG1 THR 75 HG1 THR 75 7.185 7.573 9.149 580 1HG2 THR 75 1HG2 THR 75 5.631 5.143 9.760 581 2HG2 THR 75 2HG2 THR 75 4.828 6.248 10.876 582 3HG2 THR 75 3HG2 THR 75 6.556 6.411 10.564 583 H PHE 76 HN PHE 76 5.782 5.568 5.373 584 HA PHE 76 HA PHE 76 7.592 3.565 5.637 585 1HB PHE 76 HB2 PHE 76 7.556 5.930 3.798 586 2HB PHE 76 HB1 PHE 76 8.929 4.823 3.739 587 HD1 PHE 76 HD1 PHE 76 5.422 3.912 4.605 588 HD2 PHE 76 HD2 PHE 76 8.522 3.755 1.633 589 HE1 PHE 76 HE1 PHE 76 4.084 2.297 3.288 590 HE2 PHE 76 HE2 PHE 76 7.180 2.137 0.319 591 HZ PHE 76 HZ PHE 76 4.958 1.412 1.150 592 HA PRO 77 HA PRO 77 10.924 4.968 8.106 593 1HB PRO 77 HB2 PRO 77 12.765 3.071 7.360 594 2HB PRO 77 HB1 PRO 77 11.407 2.746 8.442 595 1HG PRO 77 HG2 PRO 77 11.758 1.960 5.594 596 2HG PRO 77 HG1 PRO 77 10.791 1.185 6.860 597 1HD PRO 77 HD2 PRO 77 9.797 2.854 4.801 598 2HD PRO 77 HD1 PRO 77 8.909 2.338 6.251 599 H ALA 78 HN ALA 78 13.390 5.392 7.863 600 HA ALA 78 HA ALA 78 13.782 7.056 5.469 601 1HB ALA 78 HB1 ALA 78 15.975 6.627 7.449 602 2HB ALA 78 HB2 ALA 78 14.528 7.459 8.018 603 3HB ALA 78 HB3 ALA 78 15.448 8.116 6.664 604 H ASP 79 HN ASP 79 13.934 3.886 5.841 605 HA ASP 79 HA ASP 79 16.581 3.488 4.555 606 1HB ASP 79 HB2 ASP 79 15.443 2.045 6.522 607 2HB ASP 79 HB1 ASP 79 14.771 1.190 5.133 608 H ALA 80 HN ALA 80 13.279 3.849 3.812 609 HA ALA 80 HA ALA 80 12.551 2.233 1.750 610 1HB ALA 80 HB1 ALA 80 11.065 3.963 1.848 611 2HB ALA 80 HB2 ALA 80 12.038 4.594 0.520 612 3HB ALA 80 HB3 ALA 80 12.323 5.157 2.167 613 HA PRO 81 HA PRO 81 16.323 2.524 -0.728 614 1HB PRO 81 HB2 PRO 81 15.877 0.144 -2.033 615 2HB PRO 81 HB1 PRO 81 16.641 0.264 -0.439 616 1HG PRO 81 HG2 PRO 81 13.871 -0.607 -1.135 617 2HG PRO 81 HG1 PRO 81 14.878 -1.067 0.249 618 1HD PRO 81 HD2 PRO 81 12.765 0.798 0.312 619 2HD PRO 81 HD1 PRO 81 14.020 0.613 1.557 620 H ALA 82 HN ALA 82 16.652 2.948 -2.982 621 HA ALA 82 HA ALA 82 14.360 4.044 -4.367 622 1HB ALA 82 HB1 ALA 82 16.290 5.187 -4.950 623 2HB ALA 82 HB2 ALA 82 16.193 4.055 -6.298 624 3HB ALA 82 HB3 ALA 82 17.279 3.727 -4.948 625 H GLY 83 HN GLY 83 13.050 3.042 -5.834 626 1HA GLY 83 HA2 GLY 83 13.540 1.205 -7.779 627 2HA GLY 83 HA1 GLY 83 13.473 0.179 -6.345 628 H GLU 84 HN GLU 84 11.527 -0.854 -7.021 629 HA GLU 84 HA GLU 84 9.114 0.905 -6.842 630 1HB GLU 84 HB2 GLU 84 9.957 -0.845 -8.985 631 2HB GLU 84 HB1 GLU 84 8.420 -1.397 -8.319 632 1HG GLU 84 HG2 GLU 84 7.691 0.166 -9.882 633 2HG GLU 84 HG1 GLU 84 7.795 1.163 -8.430 634 H TYR 85 HN TYR 85 7.516 0.175 -5.474 635 HA TYR 85 HA TYR 85 8.102 -2.335 -3.979 636 1HB TYR 85 HB2 TYR 85 6.213 -0.052 -3.314 637 2HB TYR 85 HB1 TYR 85 6.564 -1.434 -2.275 638 HD1 TYR 85 HD1 TYR 85 8.397 1.218 -4.208 639 HD2 TYR 85 HD2 TYR 85 8.216 -1.185 -0.652 640 HE1 TYR 85 HE1 TYR 85 10.391 2.390 -3.314 641 HE2 TYR 85 HE2 TYR 85 10.210 -0.012 0.242 642 HH TYR 85 HH TYR 85 12.255 1.807 -1.613 643 H THR 86 HN THR 86 5.609 -3.068 -3.089 644 HA THR 86 HA THR 86 3.633 -3.003 -5.214 645 HB THR 86 HB THR 86 5.174 -5.580 -4.798 646 HG1 THR 86 HG1 THR 86 4.933 -3.862 -7.041 647 1HG2 THR 86 1HG2 THR 86 3.563 -5.837 -7.029 648 2HG2 THR 86 2HG2 THR 86 2.534 -4.950 -5.904 649 3HG2 THR 86 3HG2 THR 86 3.213 -6.509 -5.436 650 H PHE 87 HN PHE 87 2.086 -2.593 -3.630 651 HA PHE 87 HA PHE 87 1.799 -4.599 -1.476 652 1HB PHE 87 HB2 PHE 87 -0.052 -2.804 -0.788 653 2HB PHE 87 HB1 PHE 87 1.642 -2.603 -0.346 654 HD1 PHE 87 HD1 PHE 87 3.098 -1.076 -1.589 655 HD2 PHE 87 HD2 PHE 87 -1.076 -1.449 -2.510 656 HE1 PHE 87 HE1 PHE 87 3.208 1.012 -2.905 657 HE2 PHE 87 HE2 PHE 87 -0.974 0.641 -3.826 658 HZ PHE 87 HZ PHE 87 1.169 1.882 -4.029 659 H TYR 88 HN TYR 88 -0.493 -5.347 -1.042 660 HA TYR 88 HA TYR 88 -2.346 -5.080 -3.301 661 1HB TYR 88 HB2 TYR 88 -2.463 -7.492 -3.739 662 2HB TYR 88 HB1 TYR 88 -0.821 -6.907 -4.006 663 HD1 TYR 88 HD1 TYR 88 -2.977 -9.010 -1.941 664 HD2 TYR 88 HD2 TYR 88 0.952 -7.313 -2.307 665 HE1 TYR 88 HE1 TYR 88 -2.129 -10.608 -0.246 666 HE2 TYR 88 HE2 TYR 88 1.800 -8.912 -0.611 667 HH TYR 88 HH TYR 88 -0.157 -11.557 0.559 668 H CYS 89 HN CYS 89 -3.978 -7.278 -2.663 669 HA CYS 89 HA CYS 89 -4.712 -6.788 0.191 670 1HB CYS 89 HB2 CYS 89 -6.143 -5.918 -2.106 671 2HB CYS 89 HB1 CYS 89 -7.056 -7.255 -1.408 672 H GLU 90 HN GLU 90 -5.460 -8.626 1.263 673 HA GLU 90 HA GLU 90 -4.954 -11.181 -0.044 674 1HB GLU 90 HB2 GLU 90 -4.341 -11.119 2.238 675 2HB GLU 90 HB1 GLU 90 -5.869 -10.391 2.722 676 1HG GLU 90 HG2 GLU 90 -7.072 -12.435 2.237 677 2HG GLU 90 HG1 GLU 90 -5.631 -13.164 1.526 678 HA PRO 91 HA PRO 91 -9.706 -11.555 0.372 679 1HB PRO 91 HB2 PRO 91 -11.114 -9.252 0.885 680 2HB PRO 91 HB1 PRO 91 -10.529 -10.345 2.151 681 1HG PRO 91 HG2 PRO 91 -9.484 -7.673 1.350 682 2HG PRO 91 HG1 PRO 91 -9.369 -8.501 2.912 683 1HD PRO 91 HD2 PRO 91 -7.317 -8.304 0.972 684 2HD PRO 91 HD1 PRO 91 -7.321 -9.372 2.389 685 H HIS 92 HN HIS 92 -9.413 -8.115 -0.618 686 HA HIS 92 HA HIS 92 -10.882 -8.594 -3.078 687 1HB HIS 92 HB2 HIS 92 -9.140 -6.183 -2.592 688 2HB HIS 92 HB1 HIS 92 -10.671 -6.283 -3.463 689 HD2 HIS 92 HD2 HIS 92 -12.970 -6.759 -1.654 690 HE1 HIS 92 HE1 HIS 92 -10.956 -5.197 1.698 691 HE2 HIS 92 HE2 HIS 92 -13.194 -5.956 0.804 692 H ARG 93 HN ARG 93 -9.021 -10.452 -3.299 693 HA ARG 93 HA ARG 93 -6.771 -9.320 -4.892 694 1HB ARG 93 HB2 ARG 93 -6.539 -11.081 -2.940 695 2HB ARG 93 HB1 ARG 93 -7.011 -12.229 -4.193 696 1HG ARG 93 HG2 ARG 93 -5.157 -11.551 -5.598 697 2HG ARG 93 HG1 ARG 93 -4.738 -10.246 -4.487 698 1HD ARG 93 HD2 ARG 93 -3.955 -11.730 -2.840 699 2HD ARG 93 HD1 ARG 93 -4.832 -13.098 -3.525 700 HE ARG 93 HE ARG 93 -3.135 -13.260 -5.256 701 1HH1 ARG 93 HH11 ARG 93 -2.067 -12.128 -2.341 702 2HH1 ARG 93 HH12 ARG 93 -0.633 -11.360 -2.937 703 1HH2 ARG 93 HH21 ARG 93 -1.516 -11.702 -6.272 704 2HH2 ARG 93 HH22 ARG 93 -0.322 -11.118 -5.161 705 H GLY 94 HN GLY 94 -9.824 -10.697 -5.290 706 1HA GLY 94 HA2 GLY 94 -9.169 -12.078 -7.816 707 2HA GLY 94 HA1 GLY 94 -10.769 -11.971 -7.080 708 H ALA 95 HN ALA 95 -8.890 -9.061 -7.368 709 HA ALA 95 HA ALA 95 -10.384 -8.260 -9.799 710 1HB ALA 95 HB1 ALA 95 -10.183 -6.649 -7.247 711 2HB ALA 95 HB2 ALA 95 -11.638 -7.462 -7.822 712 3HB ALA 95 HB3 ALA 95 -10.954 -6.121 -8.742 713 H GLY 96 HN GLY 96 -9.165 -5.552 -8.755 714 1HA GLY 96 HA2 GLY 96 -6.414 -6.062 -9.789 715 2HA GLY 96 HA1 GLY 96 -7.353 -4.675 -10.340 716 H MET 97 HN MET 97 -7.229 -5.901 -7.017 717 HA MET 97 HA MET 97 -6.539 -3.222 -6.057 718 1HB MET 97 HB2 MET 97 -7.299 -5.830 -4.817 719 2HB MET 97 HB1 MET 97 -6.391 -4.689 -3.825 720 1HG MET 97 HG2 MET 97 -8.448 -3.270 -5.250 721 2HG MET 97 HG1 MET 97 -9.167 -4.641 -4.406 722 1HE MET 97 HE1 MET 97 -9.451 -1.719 -4.375 723 2HE MET 97 HE2 MET 97 -8.479 -0.741 -3.279 724 3HE MET 97 HE3 MET 97 -9.960 -1.496 -2.696 725 H VAL 98 HN VAL 98 -4.420 -3.369 -7.370 726 HA VAL 98 HA VAL 98 -2.303 -4.336 -5.519 727 HB VAL 98 HB VAL 98 -2.492 -4.969 -8.474 728 1HG1 VAL 98 1HG1 VAL 98 -0.160 -4.853 -6.599 729 2HG1 VAL 98 2HG1 VAL 98 -0.232 -4.472 -8.320 730 3HG1 VAL 98 3HG1 VAL 98 -0.213 -6.154 -7.789 731 1HG2 VAL 98 1HG2 VAL 98 -2.545 -7.233 -7.790 732 2HG2 VAL 98 2HG2 VAL 98 -3.597 -6.422 -6.630 733 3HG2 VAL 98 3HG2 VAL 98 -1.947 -6.849 -6.176 734 H GLY 99 HN GLY 99 -1.213 -2.480 -5.036 735 1HA GLY 99 HA2 GLY 99 -0.763 -0.535 -7.241 736 2HA GLY 99 HA1 GLY 99 -0.906 -0.061 -5.552 737 H LYS 100 HN LYS 100 1.337 0.803 -6.789 738 HA LYS 100 HA LYS 100 3.433 -0.788 -5.437 739 1HB LYS 100 HB2 LYS 100 3.732 0.025 -8.340 740 2HB LYS 100 HB1 LYS 100 4.844 -0.954 -7.383 741 1HG LYS 100 HG2 LYS 100 3.214 -2.743 -7.215 742 2HG LYS 100 HG1 LYS 100 1.988 -1.752 -8.005 743 1HD LYS 100 HD2 LYS 100 4.295 -1.777 -9.684 744 2HD LYS 100 HD1 LYS 100 3.943 -3.444 -9.227 745 1HE LYS 100 HE2 LYS 100 1.584 -1.807 -9.950 746 2HE LYS 100 HE1 LYS 100 2.698 -2.152 -11.274 747 1HZ LYS 100 HZ1 LYS 100 1.782 -4.150 -11.391 748 2HZ LYS 100 HZ2 LYS 100 0.858 -3.882 -9.991 749 3HZ LYS 100 HZ3 LYS 100 2.433 -4.509 -9.867 750 H ILE 101 HN ILE 101 4.795 0.598 -4.405 751 HA ILE 101 HA ILE 101 4.508 3.477 -4.849 752 HB ILE 101 HB ILE 101 5.809 1.711 -2.836 753 1HG1 ILE 101 2HG1 ILE 101 4.228 4.290 -2.835 754 2HG1 ILE 101 1HG1 ILE 101 3.716 2.704 -2.259 755 1HG2 ILE 101 1HG2 ILE 101 6.820 4.519 -3.380 756 2HG2 ILE 101 2HG2 ILE 101 7.751 3.034 -3.564 757 3HG2 ILE 101 3HG2 ILE 101 7.222 3.549 -1.963 758 1HD1 ILE 101 HD11 ILE 101 5.090 4.786 -0.809 759 2HD1 ILE 101 HD12 ILE 101 6.094 3.337 -0.848 760 3HD1 ILE 101 HD13 ILE 101 4.456 3.256 -0.202 761 H THR 102 HN THR 102 6.306 4.867 -5.437 762 HA THR 102 HA THR 102 8.512 3.469 -6.891 763 HB THR 102 HB THR 102 7.482 6.081 -7.928 764 HG1 THR 102 HG1 THR 102 6.296 3.545 -8.373 765 1HG2 THR 102 1HG2 THR 102 7.996 4.419 -10.037 766 2HG2 THR 102 2HG2 THR 102 9.102 3.782 -8.819 767 3HG2 THR 102 3HG2 THR 102 9.196 5.478 -9.295 768 H VAL 103 HN VAL 103 9.919 3.887 -5.119 769 HA VAL 103 HA VAL 103 10.323 6.738 -4.388 770 HB VAL 103 HB VAL 103 11.520 4.253 -3.133 771 1HG1 VAL 103 1HG1 VAL 103 12.775 5.749 -2.012 772 2HG1 VAL 103 2HG1 VAL 103 11.290 6.390 -1.309 773 3HG1 VAL 103 3HG1 VAL 103 11.940 7.094 -2.789 774 1HG2 VAL 103 1HG2 VAL 103 9.454 5.747 -1.672 775 2HG2 VAL 103 2HG2 VAL 103 9.646 4.006 -1.877 776 3HG2 VAL 103 3HG2 VAL 103 8.856 4.961 -3.132 777 H ALA 104 HN ALA 104 11.931 7.831 -5.366 778 HA ALA 104 HA ALA 104 14.122 6.268 -6.654 779 1HB ALA 104 HB1 ALA 104 14.387 8.061 -8.178 780 2HB ALA 104 HB2 ALA 104 13.528 9.189 -7.130 781 3HB ALA 104 HB3 ALA 104 12.640 7.924 -7.979 782 H GLY 105 HN GLY 105 15.801 8.679 -6.844 783 1HA GLY 105 HA2 GLY 105 16.339 9.662 -4.176 784 2HA GLY 105 HA1 GLY 105 17.464 8.378 -4.622 Start of MODEL 17 1 1H GLU 1 HT1 GLU 1 1.722 16.382 4.138 2 2H GLU 1 HT2 GLU 1 1.038 17.355 2.924 3 3H GLU 1 HT3 GLU 1 2.540 17.769 3.604 4 HA GLU 1 HA GLU 1 2.224 16.419 1.299 5 1HB GLU 1 HB2 GLU 1 4.594 16.039 1.434 6 2HB GLU 1 HB1 GLU 1 4.272 17.543 2.298 7 1HG GLU 1 HG2 GLU 1 3.952 15.600 4.256 8 2HG GLU 1 HG1 GLU 1 5.322 15.009 3.315 9 H THR 2 HN THR 2 0.474 14.969 2.951 10 HA THR 2 HA THR 2 1.838 12.348 3.342 11 HB THR 2 HB THR 2 -1.018 12.691 4.095 12 HG1 THR 2 HG1 THR 2 -0.664 14.319 5.343 13 1HG2 THR 2 1HG2 THR 2 0.813 10.769 4.525 14 2HG2 THR 2 2HG2 THR 2 -0.498 11.096 5.659 15 3HG2 THR 2 3HG2 THR 2 1.110 11.759 5.954 16 H TYR 3 HN TYR 3 1.489 10.743 1.873 17 HA TYR 3 HA TYR 3 -0.416 11.252 -0.325 18 1HB TYR 3 HB2 TYR 3 1.460 8.902 0.061 19 2HB TYR 3 HB1 TYR 3 0.651 9.377 -1.433 20 HD1 TYR 3 HD1 TYR 3 1.487 11.165 -2.801 21 HD2 TYR 3 HD2 TYR 3 3.240 10.360 1.037 22 HE1 TYR 3 HE1 TYR 3 3.371 12.684 -3.343 23 HE2 TYR 3 HE2 TYR 3 5.124 11.880 0.495 24 HH TYR 3 HH TYR 3 5.190 14.103 -1.446 25 H THR 4 HN THR 4 -2.477 10.558 -0.095 26 HA THR 4 HA THR 4 -2.937 8.054 1.479 27 HB THR 4 HB THR 4 -4.622 10.554 1.207 28 HG1 THR 4 HG1 THR 4 -3.174 10.608 2.883 29 1HG2 THR 4 1HG2 THR 4 -5.393 7.813 2.234 30 2HG2 THR 4 2HG2 THR 4 -6.149 8.711 0.918 31 3HG2 THR 4 3HG2 THR 4 -6.310 9.279 2.580 32 H VAL 5 HN VAL 5 -3.592 6.403 0.203 33 HA VAL 5 HA VAL 5 -4.916 7.070 -2.390 34 HB VAL 5 HB VAL 5 -4.308 4.481 -2.713 35 1HG1 VAL 5 1HG1 VAL 5 -3.355 6.896 -3.645 36 2HG1 VAL 5 2HG1 VAL 5 -2.854 5.312 -4.239 37 3HG1 VAL 5 3HG1 VAL 5 -1.898 6.135 -3.006 38 1HG2 VAL 5 1HG2 VAL 5 -2.024 5.444 -0.984 39 2HG2 VAL 5 2HG2 VAL 5 -2.344 3.808 -1.561 40 3HG2 VAL 5 3HG2 VAL 5 -3.363 4.516 -0.308 41 H LYS 6 HN LYS 6 -7.092 7.081 -1.936 42 HA LYS 6 HA LYS 6 -8.267 5.139 -0.088 43 1HB LYS 6 HB2 LYS 6 -9.015 7.645 -1.025 44 2HB LYS 6 HB1 LYS 6 -10.137 6.554 -1.839 45 1HG LYS 6 HG2 LYS 6 -10.721 5.531 0.328 46 2HG LYS 6 HG1 LYS 6 -9.600 6.621 1.145 47 1HD LYS 6 HD2 LYS 6 -11.627 7.883 -0.631 48 2HD LYS 6 HD1 LYS 6 -12.221 7.186 0.876 49 1HE LYS 6 HE2 LYS 6 -10.849 8.585 2.201 50 2HE LYS 6 HE1 LYS 6 -9.815 9.005 0.836 51 1HZ LYS 6 HZ1 LYS 6 -11.268 10.828 1.282 52 2HZ LYS 6 HZ2 LYS 6 -12.638 9.823 1.252 53 3HZ LYS 6 HZ3 LYS 6 -11.762 10.112 -0.174 54 H LEU 7 HN LEU 7 -7.636 3.159 -1.203 55 HA LEU 7 HA LEU 7 -8.107 2.440 -3.839 56 1HB LEU 7 HB2 LEU 7 -8.766 0.132 -2.672 57 2HB LEU 7 HB1 LEU 7 -7.107 0.715 -2.678 58 HG LEU 7 HG LEU 7 -8.699 1.788 -0.460 59 1HD1 LEU 7 HD11 LEU 7 -8.326 -1.195 -0.790 60 2HD1 LEU 7 HD12 LEU 7 -9.819 -0.323 -0.445 61 3HD1 LEU 7 HD13 LEU 7 -8.560 -0.438 0.785 62 1HD2 LEU 7 HD21 LEU 7 -6.460 2.087 -0.068 63 2HD2 LEU 7 HD22 LEU 7 -6.002 0.684 -1.033 64 3HD2 LEU 7 HD23 LEU 7 -6.583 0.467 0.619 65 H GLY 8 HN GLY 8 -9.941 0.841 -4.536 66 1HA GLY 8 HA2 GLY 8 -12.253 0.330 -4.709 67 2HA GLY 8 HA1 GLY 8 -12.558 1.376 -3.323 68 H SER 9 HN SER 9 -12.295 1.245 -6.794 69 HA SER 9 HA SER 9 -12.182 3.946 -7.507 70 1HB SER 9 HB2 SER 9 -13.405 3.335 -9.527 71 2HB SER 9 HB1 SER 9 -12.281 2.043 -9.117 72 HG SER 9 HG SER 9 -13.918 0.765 -8.814 73 H ASP 10 HN ASP 10 -15.331 2.273 -7.526 74 HA ASP 10 HA ASP 10 -16.575 4.043 -5.628 75 1HB ASP 10 HB2 ASP 10 -16.122 5.584 -7.620 76 2HB ASP 10 HB1 ASP 10 -17.305 4.622 -8.506 77 H LYS 11 HN LYS 11 -17.741 2.821 -8.782 78 HA LYS 11 HA LYS 11 -19.348 0.795 -7.299 79 1HB LYS 11 HB2 LYS 11 -20.450 3.124 -8.324 80 2HB LYS 11 HB1 LYS 11 -20.743 1.947 -9.606 81 1HG LYS 11 HG2 LYS 11 -22.450 1.114 -8.401 82 2HG LYS 11 HG1 LYS 11 -21.295 0.626 -7.160 83 1HD LYS 11 HD2 LYS 11 -22.064 2.212 -5.762 84 2HD LYS 11 HD1 LYS 11 -21.768 3.463 -6.969 85 1HE LYS 11 HE2 LYS 11 -23.941 3.495 -7.658 86 2HE LYS 11 HE1 LYS 11 -24.121 1.749 -7.492 87 1HZ LYS 11 HZ1 LYS 11 -25.426 3.136 -5.883 88 2HZ LYS 11 HZ2 LYS 11 -23.950 3.577 -5.166 89 3HZ LYS 11 HZ3 LYS 11 -24.439 1.949 -5.181 90 H GLY 12 HN GLY 12 -17.108 -0.038 -8.465 91 1HA GLY 12 HA2 GLY 12 -18.072 -1.713 -10.653 92 2HA GLY 12 HA1 GLY 12 -16.851 -0.543 -11.158 93 H LEU 13 HN LEU 13 -14.703 -0.837 -10.494 94 HA LEU 13 HA LEU 13 -14.164 -3.429 -9.099 95 1HB LEU 13 HB2 LEU 13 -13.088 -2.228 -11.522 96 2HB LEU 13 HB1 LEU 13 -11.808 -2.609 -10.370 97 HG LEU 13 HG LEU 13 -12.425 -4.493 -11.958 98 1HD1 LEU 13 HD11 LEU 13 -13.014 -5.310 -9.126 99 2HD1 LEU 13 HD12 LEU 13 -11.433 -4.642 -9.529 100 3HD1 LEU 13 HD13 LEU 13 -11.999 -6.110 -10.325 101 1HD2 LEU 13 HD21 LEU 13 -14.946 -3.885 -11.650 102 2HD2 LEU 13 HD22 LEU 13 -14.835 -4.865 -10.188 103 3HD2 LEU 13 HD23 LEU 13 -14.497 -5.587 -11.761 104 H LEU 14 HN LEU 14 -12.054 -3.395 -7.834 105 HA LEU 14 HA LEU 14 -11.873 -0.812 -6.359 106 1HB LEU 14 HB2 LEU 14 -10.750 -3.506 -5.547 107 2HB LEU 14 HB1 LEU 14 -10.960 -2.083 -4.526 108 HG LEU 14 HG LEU 14 -13.296 -3.399 -5.915 109 1HD1 LEU 14 HD11 LEU 14 -13.382 -4.069 -3.196 110 2HD1 LEU 14 HD12 LEU 14 -11.719 -4.395 -3.683 111 3HD1 LEU 14 HD13 LEU 14 -13.056 -5.168 -4.536 112 1HD2 LEU 14 HD21 LEU 14 -12.872 -1.352 -3.757 113 2HD2 LEU 14 HD22 LEU 14 -14.346 -2.320 -3.752 114 3HD2 LEU 14 HD23 LEU 14 -13.965 -1.300 -5.139 115 H VAL 15 HN VAL 15 -10.122 0.455 -6.741 116 HA VAL 15 HA VAL 15 -7.538 -0.836 -7.429 117 HB VAL 15 HB VAL 15 -7.206 0.838 -9.273 118 1HG1 VAL 15 1HG1 VAL 15 -9.156 -0.304 -10.720 119 2HG1 VAL 15 2HG1 VAL 15 -9.230 -1.351 -9.303 120 3HG1 VAL 15 3HG1 VAL 15 -7.725 -1.198 -10.209 121 1HG2 VAL 15 1HG2 VAL 15 -10.173 1.305 -8.827 122 2HG2 VAL 15 2HG2 VAL 15 -9.230 1.950 -10.171 123 3HG2 VAL 15 3HG2 VAL 15 -8.889 2.475 -8.522 124 H PHE 16 HN PHE 16 -5.708 0.667 -7.140 125 HA PHE 16 HA PHE 16 -6.073 2.355 -4.815 126 1HB PHE 16 HB2 PHE 16 -3.779 1.657 -6.619 127 2HB PHE 16 HB1 PHE 16 -3.619 3.030 -5.523 128 HD1 PHE 16 HD1 PHE 16 -5.554 -0.112 -4.978 129 HD2 PHE 16 HD2 PHE 16 -2.110 2.211 -3.881 130 HE1 PHE 16 HE1 PHE 16 -5.105 -1.665 -3.098 131 HE2 PHE 16 HE2 PHE 16 -1.662 0.657 -2.001 132 HZ PHE 16 HZ PHE 16 -3.159 -1.281 -1.610 133 H GLU 17 HN GLU 17 -5.385 4.698 -4.818 134 HA GLU 17 HA GLU 17 -5.639 6.111 -7.386 135 1HB GLU 17 HB2 GLU 17 -7.705 6.280 -5.190 136 2HB GLU 17 HB1 GLU 17 -7.490 7.572 -6.372 137 1HG GLU 17 HG2 GLU 17 -7.589 5.452 -8.044 138 2HG GLU 17 HG1 GLU 17 -8.603 4.842 -6.735 139 HA PRO 18 HA PRO 18 -4.423 7.135 -8.250 140 1HB PRO 18 HB2 PRO 18 -1.751 7.680 -8.571 141 2HB PRO 18 HB1 PRO 18 -3.017 8.912 -8.649 142 1HG PRO 18 HG2 PRO 18 -1.046 8.368 -6.485 143 2HG PRO 18 HG1 PRO 18 -1.874 9.879 -6.895 144 1HD PRO 18 HD2 PRO 18 -2.548 8.146 -4.772 145 2HD PRO 18 HD1 PRO 18 -3.551 9.469 -5.400 146 H ALA 19 HN ALA 19 -3.010 5.522 -9.489 147 HA ALA 19 HA ALA 19 -2.669 3.122 -7.917 148 1HB ALA 19 HB1 ALA 19 -1.573 2.337 -10.164 149 2HB ALA 19 HB2 ALA 19 -2.178 3.872 -10.786 150 3HB ALA 19 HB3 ALA 19 -3.302 2.683 -10.128 151 H LYS 20 HN LYS 20 -0.539 5.695 -8.940 152 HA LYS 20 HA LYS 20 1.783 4.120 -7.907 153 1HB LYS 20 HB2 LYS 20 1.567 6.316 -9.959 154 2HB LYS 20 HB1 LYS 20 3.099 5.984 -9.150 155 1HG LYS 20 HG2 LYS 20 1.595 3.667 -10.283 156 2HG LYS 20 HG1 LYS 20 2.431 4.735 -11.410 157 1HD LYS 20 HD2 LYS 20 4.341 4.410 -9.481 158 2HD LYS 20 HD1 LYS 20 3.543 2.838 -9.438 159 1HE LYS 20 HE2 LYS 20 4.515 4.162 -11.984 160 2HE LYS 20 HE1 LYS 20 5.446 2.966 -11.082 161 1HZ LYS 20 HZ1 LYS 20 4.122 1.300 -11.753 162 2HZ LYS 20 HZ2 LYS 20 3.730 2.354 -13.026 163 3HZ LYS 20 HZ3 LYS 20 2.706 2.231 -11.676 164 H LEU 21 HN LEU 21 3.383 5.374 -6.652 165 HA LEU 21 HA LEU 21 2.354 7.877 -5.433 166 1HB LEU 21 HB2 LEU 21 2.993 5.322 -3.950 167 2HB LEU 21 HB1 LEU 21 3.032 6.896 -3.155 168 HG LEU 21 HG LEU 21 0.621 6.264 -4.787 169 1HD1 LEU 21 HD11 LEU 21 -0.377 5.061 -2.829 170 2HD1 LEU 21 HD12 LEU 21 1.223 5.017 -2.088 171 3HD1 LEU 21 HD13 LEU 21 0.927 4.161 -3.601 172 1HD2 LEU 21 HD21 LEU 21 -0.462 7.601 -3.093 173 2HD2 LEU 21 HD22 LEU 21 1.043 8.417 -3.516 174 3HD2 LEU 21 HD23 LEU 21 0.938 7.478 -2.026 175 H THR 22 HN THR 22 4.032 9.216 -5.930 176 HA THR 22 HA THR 22 6.792 8.180 -5.907 177 HB THR 22 HB THR 22 5.963 11.039 -6.410 178 HG1 THR 22 HG1 THR 22 6.267 9.221 -8.499 179 1HG2 THR 22 1HG2 THR 22 8.365 9.350 -6.804 180 2HG2 THR 22 2HG2 THR 22 8.242 11.086 -6.520 181 3HG2 THR 22 3HG2 THR 22 7.968 10.436 -8.136 182 H ILE 23 HN ILE 23 7.138 7.831 -3.650 183 HA ILE 23 HA ILE 23 6.962 10.230 -1.922 184 HB ILE 23 HB ILE 23 7.540 8.499 -0.096 185 1HG1 ILE 23 2HG1 ILE 23 6.390 6.412 -1.855 186 2HG1 ILE 23 1HG1 ILE 23 8.047 6.876 -2.241 187 1HG2 ILE 23 1HG2 ILE 23 5.300 9.435 -0.379 188 2HG2 ILE 23 2HG2 ILE 23 5.182 7.711 -0.031 189 3HG2 ILE 23 3HG2 ILE 23 4.962 8.295 -1.681 190 1HD1 ILE 23 HD11 ILE 23 7.033 5.980 0.475 191 2HD1 ILE 23 HD12 ILE 23 8.681 6.507 0.136 192 3HD1 ILE 23 HD13 ILE 23 8.053 5.039 -0.614 193 H LYS 24 HN LYS 24 8.837 10.346 -0.280 194 HA LYS 24 HA LYS 24 11.351 10.324 -1.817 195 1HB LYS 24 HB2 LYS 24 11.158 11.164 1.065 196 2HB LYS 24 HB1 LYS 24 12.145 11.844 -0.229 197 1HG LYS 24 HG2 LYS 24 10.094 12.737 -1.302 198 2HG LYS 24 HG1 LYS 24 9.144 12.134 0.055 199 1HD LYS 24 HD2 LYS 24 9.753 13.864 1.374 200 2HD LYS 24 HD1 LYS 24 11.452 13.694 0.931 201 1HE LYS 24 HE2 LYS 24 11.065 14.910 -1.154 202 2HE LYS 24 HE1 LYS 24 9.343 15.025 -0.792 203 1HZ LYS 24 HZ1 LYS 24 11.351 16.054 1.106 204 2HZ LYS 24 HZ2 LYS 24 9.716 16.488 0.939 205 3HZ LYS 24 HZ3 LYS 24 10.855 16.995 -0.215 206 HA PRO 25 HA PRO 25 13.052 6.872 0.372 207 1HB PRO 25 HB2 PRO 25 15.092 7.679 2.040 208 2HB PRO 25 HB1 PRO 25 15.240 7.578 0.277 209 1HG PRO 25 HG2 PRO 25 14.970 9.990 2.001 210 2HG PRO 25 HG1 PRO 25 15.706 9.834 0.398 211 1HD PRO 25 HD2 PRO 25 13.158 10.902 0.960 212 2HD PRO 25 HD1 PRO 25 13.757 10.447 -0.650 213 H GLY 26 HN GLY 26 10.774 7.321 1.509 214 1HA GLY 26 HA2 GLY 26 10.398 6.108 3.828 215 2HA GLY 26 HA1 GLY 26 11.090 7.611 4.444 216 H ASP 27 HN ASP 27 9.861 9.534 4.277 217 HA ASP 27 HA ASP 27 7.849 10.730 4.385 218 1HB ASP 27 HB2 ASP 27 7.910 9.304 1.772 219 2HB ASP 27 HB1 ASP 27 6.396 10.078 2.238 220 H THR 28 HN THR 28 5.272 10.243 3.977 221 HA THR 28 HA THR 28 4.723 7.672 5.373 222 HB THR 28 HB THR 28 3.259 10.303 5.727 223 HG1 THR 28 HG1 THR 28 5.349 10.272 6.654 224 1HG2 THR 28 1HG2 THR 28 3.004 7.600 7.070 225 2HG2 THR 28 2HG2 THR 28 1.786 8.415 6.088 226 3HG2 THR 28 3HG2 THR 28 2.234 9.071 7.663 227 H VAL 29 HN VAL 29 2.940 6.499 4.619 228 HA VAL 29 HA VAL 29 1.493 7.675 2.303 229 HB VAL 29 HB VAL 29 2.030 4.725 2.539 230 1HG1 VAL 29 1HG1 VAL 29 2.028 5.172 -0.050 231 2HG1 VAL 29 2HG1 VAL 29 1.241 6.685 0.399 232 3HG1 VAL 29 3HG1 VAL 29 0.496 5.143 0.824 233 1HG2 VAL 29 1HG2 VAL 29 3.828 6.691 1.094 234 2HG2 VAL 29 2HG2 VAL 29 4.088 4.961 1.316 235 3HG2 VAL 29 3HG2 VAL 29 4.196 6.052 2.696 236 H GLU 30 HN GLU 30 -0.741 7.089 2.148 237 HA GLU 30 HA GLU 30 -1.813 5.663 4.526 238 1HB GLU 30 HB2 GLU 30 -2.272 8.384 3.696 239 2HB GLU 30 HB1 GLU 30 -3.784 7.478 3.626 240 1HG GLU 30 HG2 GLU 30 -3.119 6.587 5.967 241 2HG GLU 30 HG1 GLU 30 -1.973 7.927 5.995 242 H PHE 31 HN PHE 31 -3.243 4.054 4.051 243 HA PHE 31 HA PHE 31 -4.553 4.057 1.372 244 1HB PHE 31 HB2 PHE 31 -3.786 1.364 2.195 245 2HB PHE 31 HB1 PHE 31 -3.510 2.176 0.656 246 HD1 PHE 31 HD1 PHE 31 -1.312 2.704 0.041 247 HD2 PHE 31 HD2 PHE 31 -2.268 2.207 4.200 248 HE1 PHE 31 HE1 PHE 31 1.079 2.996 0.627 249 HE2 PHE 31 HE2 PHE 31 0.122 2.499 4.784 250 HZ PHE 31 HZ PHE 31 1.794 2.894 2.999 251 H LEU 32 HN LEU 32 -6.668 4.250 2.082 252 HA LEU 32 HA LEU 32 -7.492 2.636 4.416 253 1HB LEU 32 HB2 LEU 32 -9.593 4.319 3.336 254 2HB LEU 32 HB1 LEU 32 -8.890 4.317 4.950 255 HG LEU 32 HG LEU 32 -7.717 5.699 2.516 256 1HD1 LEU 32 HD11 LEU 32 -9.437 7.117 3.131 257 2HD1 LEU 32 HD12 LEU 32 -8.180 7.682 4.231 258 3HD1 LEU 32 HD13 LEU 32 -9.426 6.575 4.809 259 1HD2 LEU 32 HD21 LEU 32 -6.779 6.254 5.284 260 2HD2 LEU 32 HD22 LEU 32 -5.863 6.200 3.777 261 3HD2 LEU 32 HD23 LEU 32 -6.301 4.702 4.598 262 H ASN 33 HN ASN 33 -10.124 2.244 4.048 263 HA ASN 33 HA ASN 33 -10.172 0.381 1.723 264 1HB ASN 33 HB2 ASN 33 -11.451 -1.064 2.996 265 2HB ASN 33 HB1 ASN 33 -10.565 -0.262 4.283 266 1HD2 ASN 33 HD21 ASN 33 -13.124 -1.482 4.665 267 2HD2 ASN 33 HD22 ASN 33 -14.210 -0.256 5.083 268 H ASN 34 HN ASN 34 -12.442 0.090 0.763 269 HA ASN 34 HA ASN 34 -13.746 2.776 0.554 270 1HB ASN 34 HB2 ASN 34 -12.546 1.538 -1.477 271 2HB ASN 34 HB1 ASN 34 -14.092 0.693 -1.565 272 1HD2 ASN 34 HD21 ASN 34 -14.848 1.763 -3.495 273 2HD2 ASN 34 HD22 ASN 34 -15.213 3.420 -3.531 274 H LYS 35 HN LYS 35 -15.880 1.269 -1.085 275 HA LYS 35 HA LYS 35 -17.443 0.408 1.296 276 1HB LYS 35 HB2 LYS 35 -19.317 0.425 -0.596 277 2HB LYS 35 HB1 LYS 35 -18.805 1.918 0.190 278 1HG LYS 35 HG2 LYS 35 -17.340 2.471 -1.636 279 2HG LYS 35 HG1 LYS 35 -17.565 0.884 -2.372 280 1HD LYS 35 HD2 LYS 35 -20.034 2.459 -1.862 281 2HD LYS 35 HD1 LYS 35 -18.973 3.058 -3.138 282 1HE LYS 35 HE2 LYS 35 -20.030 1.544 -4.459 283 2HE LYS 35 HE1 LYS 35 -19.010 0.355 -3.650 284 1HZ LYS 35 HZ1 LYS 35 -21.658 0.228 -3.673 285 2HZ LYS 35 HZ2 LYS 35 -21.435 1.130 -2.250 286 3HZ LYS 35 HZ3 LYS 35 -20.713 -0.399 -2.411 287 H VAL 36 HN VAL 36 -15.421 -1.311 0.204 288 HA VAL 36 HA VAL 36 -17.098 -3.682 -0.331 289 HB VAL 36 HB VAL 36 -14.750 -3.228 -2.153 290 1HG1 VAL 36 1HG1 VAL 36 -17.385 -4.698 -2.475 291 2HG1 VAL 36 2HG1 VAL 36 -15.861 -5.448 -1.998 292 3HG1 VAL 36 3HG1 VAL 36 -16.028 -4.735 -3.602 293 1HG2 VAL 36 1HG2 VAL 36 -16.377 -2.300 -3.833 294 2HG2 VAL 36 2HG2 VAL 36 -16.078 -1.219 -2.472 295 3HG2 VAL 36 3HG2 VAL 36 -17.565 -2.165 -2.537 296 HA PRO 37 HA PRO 37 -13.244 -4.178 2.266 297 1HB PRO 37 HB2 PRO 37 -14.545 -4.665 4.640 298 2HB PRO 37 HB1 PRO 37 -14.059 -3.048 4.103 299 1HG PRO 37 HG2 PRO 37 -16.778 -4.278 4.144 300 2HG PRO 37 HG1 PRO 37 -16.317 -2.571 4.257 301 1HD PRO 37 HD2 PRO 37 -17.308 -3.861 1.948 302 2HD PRO 37 HD1 PRO 37 -16.509 -2.275 1.991 303 HA PRO 38 HA PRO 38 -12.732 -5.032 4.401 304 1HB PRO 38 HB2 PRO 38 -11.014 -6.948 5.329 305 2HB PRO 38 HB1 PRO 38 -12.633 -6.700 6.006 306 1HG PRO 38 HG2 PRO 38 -11.657 -8.920 4.294 307 2HG PRO 38 HG1 PRO 38 -13.042 -8.880 5.397 308 1HD PRO 38 HD2 PRO 38 -13.098 -8.609 2.539 309 2HD PRO 38 HD1 PRO 38 -14.467 -8.456 3.662 310 H HIS 39 HN HIS 39 -10.486 -4.299 4.268 311 HA HIS 39 HA HIS 39 -9.042 -5.319 1.853 312 1HB HIS 39 HB2 HIS 39 -9.265 -2.478 2.886 313 2HB HIS 39 HB1 HIS 39 -8.168 -2.979 1.600 314 HD2 HIS 39 HD2 HIS 39 -12.058 -2.642 2.190 315 HE1 HIS 39 HE1 HIS 39 -11.365 -3.114 -1.943 316 HE2 HIS 39 HE2 HIS 39 -13.121 -2.711 -0.179 317 H ASN 40 HN ASN 40 -6.676 -5.022 1.963 318 HA ASN 40 HA ASN 40 -5.589 -4.715 4.713 319 1HB ASN 40 HB2 ASN 40 -5.980 -7.213 3.600 320 2HB ASN 40 HB1 ASN 40 -4.308 -6.861 3.161 321 1HD2 ASN 40 HD21 ASN 40 -6.404 -6.411 6.079 322 2HD2 ASN 40 HD22 ASN 40 -5.227 -6.945 7.179 323 H VAL 41 HN VAL 41 -3.141 -4.489 4.601 324 HA VAL 41 HA VAL 41 -2.224 -3.488 1.948 325 HB VAL 41 HB VAL 41 -2.147 -2.003 4.586 326 1HG1 VAL 41 1HG1 VAL 41 -0.654 -0.398 3.567 327 2HG1 VAL 41 2HG1 VAL 41 -0.713 -1.252 2.024 328 3HG1 VAL 41 3HG1 VAL 41 0.086 -1.991 3.412 329 1HG2 VAL 41 1HG2 VAL 41 -4.136 -1.486 3.413 330 2HG2 VAL 41 2HG2 VAL 41 -3.326 -1.528 1.847 331 3HG2 VAL 41 3HG2 VAL 41 -3.033 -0.188 2.956 332 H VAL 42 HN VAL 42 -0.464 -4.715 1.495 333 HA VAL 42 HA VAL 42 1.592 -5.046 3.605 334 HB VAL 42 HB VAL 42 1.426 -7.514 2.135 335 1HG1 VAL 42 1HG1 VAL 42 0.866 -6.856 5.041 336 2HG1 VAL 42 2HG1 VAL 42 2.455 -7.198 4.356 337 3HG1 VAL 42 3HG1 VAL 42 1.223 -8.458 4.400 338 1HG2 VAL 42 1HG2 VAL 42 -0.753 -8.326 2.705 339 2HG2 VAL 42 2HG2 VAL 42 -1.014 -6.762 1.933 340 3HG2 VAL 42 3HG2 VAL 42 -1.102 -6.904 3.689 341 H PHE 43 HN PHE 43 3.595 -6.188 2.513 342 HA PHE 43 HA PHE 43 3.844 -5.234 -0.308 343 1HB PHE 43 HB2 PHE 43 6.057 -4.988 1.743 344 2HB PHE 43 HB1 PHE 43 5.979 -4.257 0.138 345 HD1 PHE 43 HD1 PHE 43 4.170 -4.360 3.402 346 HD2 PHE 43 HD2 PHE 43 5.153 -2.073 -0.097 347 HE1 PHE 43 HE1 PHE 43 3.073 -2.374 4.394 348 HE2 PHE 43 HE2 PHE 43 4.050 -0.086 0.899 349 HZ PHE 43 HZ PHE 43 3.024 -0.240 3.152 350 H ASP 44 HN ASP 44 4.168 -7.072 -1.472 351 HA ASP 44 HA ASP 44 5.005 -9.570 -0.476 352 1HB ASP 44 HB2 ASP 44 4.024 -8.964 -2.795 353 2HB ASP 44 HB1 ASP 44 5.694 -8.644 -3.264 354 H ALA 45 HN ALA 45 6.998 -10.463 -0.049 355 HA ALA 45 HA ALA 45 9.311 -8.649 -0.075 356 1HB ALA 45 HB1 ALA 45 10.342 -10.873 0.968 357 2HB ALA 45 HB2 ALA 45 8.639 -11.258 1.216 358 3HB ALA 45 HB3 ALA 45 9.327 -9.799 1.930 359 H ALA 46 HN ALA 46 7.947 -10.752 -2.257 360 HA ALA 46 HA ALA 46 10.596 -11.573 -3.366 361 1HB ALA 46 HB1 ALA 46 8.930 -13.384 -2.932 362 2HB ALA 46 HB2 ALA 46 9.375 -13.260 -4.634 363 3HB ALA 46 HB3 ALA 46 7.835 -12.607 -4.075 364 H LEU 47 HN LEU 47 8.822 -8.970 -3.615 365 HA LEU 47 HA LEU 47 9.316 -8.706 -6.537 366 1HB LEU 47 HB2 LEU 47 6.733 -8.032 -5.104 367 2HB LEU 47 HB1 LEU 47 7.125 -7.463 -6.726 368 HG LEU 47 HG LEU 47 7.582 -10.325 -6.465 369 1HD1 LEU 47 HD11 LEU 47 5.520 -9.589 -4.876 370 2HD1 LEU 47 HD12 LEU 47 5.543 -11.107 -5.773 371 3HD1 LEU 47 HD13 LEU 47 4.676 -9.713 -6.419 372 1HD2 LEU 47 HD21 LEU 47 6.532 -10.365 -8.568 373 2HD2 LEU 47 HD22 LEU 47 7.237 -8.749 -8.523 374 3HD2 LEU 47 HD23 LEU 47 5.519 -8.971 -8.193 375 H ASN 48 HN ASN 48 10.982 -7.721 -4.566 376 HA ASN 48 HA ASN 48 10.391 -4.789 -4.645 377 1HB ASN 48 HB2 ASN 48 12.025 -4.875 -2.552 378 2HB ASN 48 HB1 ASN 48 10.303 -5.198 -2.358 379 1HD2 ASN 48 HD21 ASN 48 10.214 -6.859 -0.817 380 2HD2 ASN 48 HD22 ASN 48 11.093 -8.307 -0.916 381 HA PRO 49 HA PRO 49 14.317 -4.292 -6.552 382 1HB PRO 49 HB2 PRO 49 15.170 -1.930 -5.419 383 2HB PRO 49 HB1 PRO 49 13.901 -2.024 -6.653 384 1HG PRO 49 HG2 PRO 49 13.636 -1.547 -3.718 385 2HG PRO 49 HG1 PRO 49 12.576 -1.027 -5.040 386 1HD PRO 49 HD2 PRO 49 12.088 -3.194 -3.302 387 2HD PRO 49 HD1 PRO 49 11.255 -2.894 -4.842 388 H ALA 50 HN ALA 50 14.132 -4.306 -3.075 389 HA ALA 50 HA ALA 50 16.855 -5.494 -2.956 390 1HB ALA 50 HB1 ALA 50 16.661 -2.931 -2.280 391 2HB ALA 50 HB2 ALA 50 17.648 -4.039 -1.326 392 3HB ALA 50 HB3 ALA 50 16.028 -3.606 -0.778 393 H LYS 51 HN LYS 51 15.609 -7.479 -2.713 394 HA LYS 51 HA LYS 51 13.551 -8.113 -1.019 395 1HB LYS 51 HB2 LYS 51 15.326 -9.605 -2.416 396 2HB LYS 51 HB1 LYS 51 15.866 -9.954 -0.774 397 1HG LYS 51 HG2 LYS 51 14.091 -11.289 -0.411 398 2HG LYS 51 HG1 LYS 51 12.977 -10.016 -0.908 399 1HD LYS 51 HD2 LYS 51 12.574 -11.700 -2.495 400 2HD LYS 51 HD1 LYS 51 13.715 -10.644 -3.329 401 1HE LYS 51 HE2 LYS 51 15.315 -12.242 -3.376 402 2HE LYS 51 HE1 LYS 51 15.050 -12.664 -1.684 403 1HZ LYS 51 HZ1 LYS 51 13.452 -14.195 -2.218 404 2HZ LYS 51 HZ2 LYS 51 14.485 -14.350 -3.558 405 3HZ LYS 51 HZ3 LYS 51 13.050 -13.449 -3.687 406 H SER 52 HN SER 52 13.434 -6.889 0.878 407 HA SER 52 HA SER 52 15.343 -7.711 3.011 408 1HB SER 52 HB2 SER 52 14.644 -4.910 2.158 409 2HB SER 52 HB1 SER 52 15.071 -5.243 3.834 410 HG SER 52 HG SER 52 16.628 -6.027 1.592 411 H ALA 53 HN ALA 53 13.950 -8.839 4.318 412 HA ALA 53 HA ALA 53 11.144 -8.141 4.572 413 1HB ALA 53 HB1 ALA 53 11.067 -10.250 5.349 414 2HB ALA 53 HB2 ALA 53 12.008 -9.770 6.761 415 3HB ALA 53 HB3 ALA 53 12.828 -10.329 5.303 416 H ASP 54 HN ASP 54 13.841 -6.639 5.769 417 HA ASP 54 HA ASP 54 12.962 -6.126 8.486 418 1HB ASP 54 HB2 ASP 54 15.072 -4.928 6.693 419 2HB ASP 54 HB1 ASP 54 14.716 -4.238 8.277 420 H LEU 55 HN LEU 55 13.090 -4.078 5.543 421 HA LEU 55 HA LEU 55 11.678 -1.886 6.713 422 1HB LEU 55 HB2 LEU 55 11.504 -1.014 4.500 423 2HB LEU 55 HB1 LEU 55 13.026 -1.904 4.536 424 HG LEU 55 HG LEU 55 11.294 -3.883 3.809 425 1HD1 LEU 55 HD11 LEU 55 9.320 -2.783 3.384 426 2HD1 LEU 55 HD12 LEU 55 10.099 -2.517 1.825 427 3HD1 LEU 55 HD13 LEU 55 10.124 -1.250 3.051 428 1HD2 LEU 55 HD21 LEU 55 13.154 -3.771 2.465 429 2HD2 LEU 55 HD22 LEU 55 13.115 -2.010 2.384 430 3HD2 LEU 55 HD23 LEU 55 12.029 -2.963 1.373 431 H ALA 56 HN ALA 56 10.583 -4.875 5.229 432 HA ALA 56 HA ALA 56 7.822 -4.033 4.927 433 1HB ALA 56 HB1 ALA 56 9.162 -6.063 3.858 434 2HB ALA 56 HB2 ALA 56 7.426 -6.179 4.146 435 3HB ALA 56 HB3 ALA 56 8.559 -6.913 5.281 436 H LYS 57 HN LYS 57 9.662 -5.729 7.444 437 HA LYS 57 HA LYS 57 7.557 -6.595 9.090 438 1HB LYS 57 HB2 LYS 57 10.368 -5.705 9.590 439 2HB LYS 57 HB1 LYS 57 9.303 -5.908 10.981 440 1HG LYS 57 HG2 LYS 57 8.810 -8.205 10.323 441 2HG LYS 57 HG1 LYS 57 9.766 -8.015 8.851 442 1HD LYS 57 HD2 LYS 57 11.694 -8.418 9.950 443 2HD LYS 57 HD1 LYS 57 11.285 -7.265 11.221 444 1HE LYS 57 HE2 LYS 57 11.529 -9.663 12.005 445 2HE LYS 57 HE1 LYS 57 9.987 -8.907 12.405 446 1HZ LYS 57 HZ1 LYS 57 10.077 -10.234 9.835 447 2HZ LYS 57 HZ2 LYS 57 8.870 -10.256 11.030 448 3HZ LYS 57 HZ3 LYS 57 10.228 -11.267 11.172 449 H SER 58 HN SER 58 8.800 -3.345 8.593 450 HA SER 58 HA SER 58 6.780 -2.350 10.564 451 1HB SER 58 HB2 SER 58 8.218 -0.646 11.177 452 2HB SER 58 HB1 SER 58 9.402 -1.878 10.750 453 HG SER 58 HG SER 58 9.554 0.351 9.783 454 H LEU 59 HN LEU 59 6.112 -3.046 7.859 455 HA LEU 59 HA LEU 59 5.349 -0.341 6.853 456 1HB LEU 59 HB2 LEU 59 7.290 -1.653 5.594 457 2HB LEU 59 HB1 LEU 59 5.934 -2.524 4.889 458 HG LEU 59 HG LEU 59 4.936 -0.240 4.339 459 1HD1 LEU 59 HD11 LEU 59 6.427 1.005 5.927 460 2HD1 LEU 59 HD12 LEU 59 6.470 1.649 4.286 461 3HD1 LEU 59 HD13 LEU 59 7.790 0.637 4.871 462 1HD2 LEU 59 HD21 LEU 59 6.296 -1.844 2.806 463 2HD2 LEU 59 HD22 LEU 59 7.602 -0.674 2.999 464 3HD2 LEU 59 HD23 LEU 59 6.075 -0.179 2.276 465 H SER 60 HN SER 60 4.798 -3.849 6.523 466 HA SER 60 HA SER 60 2.087 -3.469 5.518 467 1HB SER 60 HB2 SER 60 2.105 -6.053 6.143 468 2HB SER 60 HB1 SER 60 2.971 -5.454 4.732 469 HG SER 60 HG SER 60 4.827 -5.756 5.728 470 H HIS 61 HN HIS 61 0.356 -3.042 6.784 471 HA HIS 61 HA HIS 61 0.563 -3.465 9.705 472 1HB HIS 61 HB2 HIS 61 -1.315 -2.031 9.915 473 2HB HIS 61 HB1 HIS 61 -0.382 -1.332 8.594 474 HD1 HIS 61 HD1 HIS 61 -3.167 -3.959 8.903 475 HD2 HIS 61 HD2 HIS 61 -2.029 -0.769 6.455 476 HE1 HIS 61 HE1 HIS 61 -4.937 -3.758 7.100 477 H LYS 62 HN LYS 62 -1.224 -4.600 10.840 478 HA LYS 62 HA LYS 62 -2.301 -6.814 9.141 479 1HB LYS 62 HB2 LYS 62 -0.967 -6.777 11.702 480 2HB LYS 62 HB1 LYS 62 -2.576 -7.476 11.876 481 1HG LYS 62 HG2 LYS 62 -2.065 -8.942 9.886 482 2HG LYS 62 HG1 LYS 62 -0.405 -8.350 9.953 483 1HD LYS 62 HD2 LYS 62 -1.867 -9.797 12.181 484 2HD LYS 62 HD1 LYS 62 -0.588 -10.472 11.170 485 1HE LYS 62 HE2 LYS 62 -0.296 -8.091 13.026 486 2HE LYS 62 HE1 LYS 62 0.325 -9.713 13.330 487 1HZ LYS 62 HZ1 LYS 62 1.332 -9.224 10.913 488 2HZ LYS 62 HZ2 LYS 62 2.156 -8.888 12.361 489 3HZ LYS 62 HZ3 LYS 62 1.318 -7.652 11.550 490 H GLN 63 HN GLN 63 -4.197 -7.743 11.007 491 HA GLN 63 HA GLN 63 -6.383 -7.366 11.737 492 1HB GLN 63 HB2 GLN 63 -4.920 -5.068 12.496 493 2HB GLN 63 HB1 GLN 63 -6.430 -4.488 11.791 494 1HG GLN 63 HG2 GLN 63 -7.742 -5.822 13.300 495 2HG GLN 63 HG1 GLN 63 -6.313 -6.683 13.872 496 1HE2 GLN 63 1HE2 GLN 63 -6.747 -5.941 16.098 497 2HE2 GLN 63 2HE2 GLN 63 -6.420 -4.339 16.553 498 H LEU 64 HN LEU 64 -7.711 -7.852 10.035 499 HA LEU 64 HA LEU 64 -7.727 -6.647 7.489 500 1HB LEU 64 HB2 LEU 64 -9.707 -8.220 9.082 501 2HB LEU 64 HB1 LEU 64 -10.281 -7.404 7.628 502 HG LEU 64 HG LEU 64 -7.962 -8.516 6.711 503 1HD1 LEU 64 HD11 LEU 64 -7.253 -10.006 8.272 504 2HD1 LEU 64 HD12 LEU 64 -8.594 -11.004 7.709 505 3HD1 LEU 64 HD13 LEU 64 -8.795 -9.975 9.127 506 1HD2 LEU 64 HD21 LEU 64 -10.344 -10.303 6.711 507 2HD2 LEU 64 HD22 LEU 64 -9.378 -9.719 5.356 508 3HD2 LEU 64 HD23 LEU 64 -10.587 -8.669 6.094 509 H LEU 65 HN LEU 65 -8.847 -4.890 6.607 510 HA LEU 65 HA LEU 65 -9.775 -2.874 8.556 511 1HB LEU 65 HB2 LEU 65 -9.763 -2.518 5.560 512 2HB LEU 65 HB1 LEU 65 -9.569 -1.295 6.814 513 HG LEU 65 HG LEU 65 -7.533 -3.475 6.722 514 1HD1 LEU 65 HD11 LEU 65 -8.101 -2.502 4.324 515 2HD1 LEU 65 HD12 LEU 65 -6.426 -2.723 4.828 516 3HD1 LEU 65 HD13 LEU 65 -7.165 -1.124 4.904 517 1HD2 LEU 65 HD21 LEU 65 -6.805 -1.998 8.288 518 2HD2 LEU 65 HD22 LEU 65 -7.850 -0.712 7.685 519 3HD2 LEU 65 HD23 LEU 65 -6.294 -1.019 6.913 520 H MET 66 HN MET 66 -11.781 -3.891 9.201 521 HA MET 66 HA MET 66 -13.797 -4.453 7.135 522 1HB MET 66 HB2 MET 66 -15.192 -5.193 8.965 523 2HB MET 66 HB1 MET 66 -13.566 -5.822 9.231 524 1HG MET 66 HG2 MET 66 -13.429 -4.747 11.199 525 2HG MET 66 HG1 MET 66 -13.777 -3.208 10.416 526 1HE MET 66 HE1 MET 66 -17.231 -2.341 11.036 527 2HE MET 66 HE2 MET 66 -16.679 -2.951 9.478 528 3HE MET 66 HE3 MET 66 -15.596 -1.976 10.468 529 H SER 67 HN SER 67 -12.941 -1.854 9.279 530 HA SER 67 HA SER 67 -15.537 -0.522 9.079 531 1HB SER 67 HB2 SER 67 -14.447 0.118 11.032 532 2HB SER 67 HB1 SER 67 -12.864 0.148 10.260 533 HG SER 67 HG SER 67 -14.868 2.074 10.350 534 HA PRO 68 HA PRO 68 -14.749 1.506 5.258 535 1HB PRO 68 HB2 PRO 68 -16.610 3.512 5.515 536 2HB PRO 68 HB1 PRO 68 -17.027 1.834 5.126 537 1HG PRO 68 HG2 PRO 68 -17.370 3.306 7.697 538 2HG PRO 68 HG1 PRO 68 -18.284 1.927 7.063 539 1HD PRO 68 HD2 PRO 68 -16.259 1.806 9.039 540 2HD PRO 68 HD1 PRO 68 -16.945 0.422 8.159 541 H GLY 69 HN GLY 69 -12.676 2.466 5.440 542 1HA GLY 69 HA2 GLY 69 -11.623 4.691 5.231 543 2HA GLY 69 HA1 GLY 69 -12.687 5.255 6.521 544 H GLN 70 HN GLN 70 -12.222 2.664 8.020 545 HA GLN 70 HA GLN 70 -10.062 3.563 9.672 546 1HB GLN 70 HB2 GLN 70 -11.963 1.909 10.260 547 2HB GLN 70 HB1 GLN 70 -10.955 0.681 9.492 548 1HG GLN 70 HG2 GLN 70 -9.097 1.250 11.012 549 2HG GLN 70 HG1 GLN 70 -10.106 2.474 11.786 550 1HE2 GLN 70 1HE2 GLN 70 -9.917 1.228 13.844 551 2HE2 GLN 70 2HE2 GLN 70 -10.852 -0.171 14.072 552 H SER 71 HN SER 71 -7.992 3.683 8.896 553 HA SER 71 HA SER 71 -6.972 1.298 7.411 554 1HB SER 71 HB2 SER 71 -5.966 2.623 5.771 555 2HB SER 71 HB1 SER 71 -7.502 3.445 6.031 556 HG SER 71 HG SER 71 -4.953 4.278 6.532 557 H THR 72 HN THR 72 -4.395 2.481 7.032 558 HA THR 72 HA THR 72 -3.340 3.087 9.714 559 HB THR 72 HB THR 72 -2.739 0.542 8.192 560 HG1 THR 72 HG1 THR 72 -4.368 0.604 9.838 561 1HG2 THR 72 1HG2 THR 72 -1.058 2.021 10.213 562 2HG2 THR 72 2HG2 THR 72 -0.567 1.350 8.658 563 3HG2 THR 72 3HG2 THR 72 -0.929 0.274 10.007 564 H SER 73 HN SER 73 -2.012 4.791 9.270 565 HA SER 73 HA SER 73 -0.920 5.175 6.583 566 1HB SER 73 HB2 SER 73 -1.550 7.170 7.758 567 2HB SER 73 HB1 SER 73 -0.641 6.693 9.189 568 HG SER 73 HG SER 73 0.830 7.906 8.264 569 H THR 74 HN THR 74 0.678 3.742 6.065 570 HA THR 74 HA THR 74 2.573 2.733 8.006 571 HB THR 74 HB THR 74 2.714 2.668 4.976 572 HG1 THR 74 HG1 THR 74 1.787 0.611 5.263 573 1HG2 THR 74 1HG2 THR 74 3.997 0.466 5.783 574 2HG2 THR 74 2HG2 THR 74 4.309 1.476 7.194 575 3HG2 THR 74 3HG2 THR 74 4.828 2.010 5.595 576 H THR 75 HN THR 75 4.040 4.124 8.880 577 HA THR 75 HA THR 75 5.091 6.385 7.353 578 HB THR 75 HB THR 75 4.792 6.666 9.751 579 HG1 THR 75 HG1 THR 75 6.749 7.474 8.610 580 1HG2 THR 75 1HG2 THR 75 5.028 4.833 11.037 581 2HG2 THR 75 2HG2 THR 75 6.770 5.085 10.932 582 3HG2 THR 75 3HG2 THR 75 5.965 4.005 9.794 583 H PHE 76 HN PHE 76 5.982 5.079 5.591 584 HA PHE 76 HA PHE 76 7.751 3.018 5.540 585 1HB PHE 76 HB2 PHE 76 7.614 5.573 4.025 586 2HB PHE 76 HB1 PHE 76 9.055 4.584 3.799 587 HD1 PHE 76 HD1 PHE 76 5.314 4.443 3.770 588 HD2 PHE 76 HD2 PHE 76 8.985 2.688 2.389 589 HE1 PHE 76 HE1 PHE 76 4.036 2.946 2.262 590 HE2 PHE 76 HE2 PHE 76 7.704 1.192 0.883 591 HZ PHE 76 HZ PHE 76 5.229 1.328 0.821 592 HA PRO 77 HA PRO 77 11.260 4.068 7.964 593 1HB PRO 77 HB2 PRO 77 13.067 2.353 6.809 594 2HB PRO 77 HB1 PRO 77 11.782 1.825 7.904 595 1HG PRO 77 HG2 PRO 77 11.957 1.535 4.943 596 2HG PRO 77 HG1 PRO 77 11.094 0.530 6.118 597 1HD PRO 77 HD2 PRO 77 9.926 2.484 4.442 598 2HD PRO 77 HD1 PRO 77 9.154 1.722 5.849 599 H ALA 78 HN ALA 78 13.634 4.724 7.676 600 HA ALA 78 HA ALA 78 13.835 6.623 5.431 601 1HB ALA 78 HB1 ALA 78 14.720 6.662 8.066 602 2HB ALA 78 HB2 ALA 78 15.226 7.780 6.800 603 3HB ALA 78 HB3 ALA 78 16.193 6.347 7.149 604 H ASP 79 HN ASP 79 14.250 3.453 5.547 605 HA ASP 79 HA ASP 79 16.885 3.391 4.165 606 1HB ASP 79 HB2 ASP 79 15.309 1.483 5.766 607 2HB ASP 79 HB1 ASP 79 16.033 0.783 4.318 608 H ALA 80 HN ALA 80 13.582 3.560 3.489 609 HA ALA 80 HA ALA 80 12.942 1.905 1.408 610 1HB ALA 80 HB1 ALA 80 11.634 3.929 2.205 611 2HB ALA 80 HB2 ALA 80 11.607 3.659 0.462 612 3HB ALA 80 HB3 ALA 80 12.652 4.905 1.145 613 HA PRO 81 HA PRO 81 16.563 2.668 -1.188 614 1HB PRO 81 HB2 PRO 81 16.345 0.279 -2.533 615 2HB PRO 81 HB1 PRO 81 17.141 0.450 -0.959 616 1HG PRO 81 HG2 PRO 81 14.476 -0.728 -1.598 617 2HG PRO 81 HG1 PRO 81 15.561 -1.076 -0.242 618 1HD PRO 81 HD2 PRO 81 13.242 0.541 -0.133 619 2HD PRO 81 HD1 PRO 81 14.511 0.451 1.107 620 H ALA 82 HN ALA 82 16.695 3.360 -3.361 621 HA ALA 82 HA ALA 82 14.348 4.265 -4.655 622 1HB ALA 82 HB1 ALA 82 15.776 5.136 -6.204 623 2HB ALA 82 HB2 ALA 82 16.621 3.604 -6.429 624 3HB ALA 82 HB3 ALA 82 17.020 4.638 -5.057 625 H GLY 83 HN GLY 83 12.896 3.262 -5.976 626 1HA GLY 83 HA2 GLY 83 13.026 1.441 -7.921 627 2HA GLY 83 HA1 GLY 83 13.320 0.384 -6.539 628 H GLU 84 HN GLU 84 11.045 0.082 -8.192 629 HA GLU 84 HA GLU 84 8.786 1.351 -6.804 630 1HB GLU 84 HB2 GLU 84 8.501 -0.913 -8.762 631 2HB GLU 84 HB1 GLU 84 7.434 0.467 -8.495 632 1HG GLU 84 HG2 GLU 84 9.531 1.860 -9.281 633 2HG GLU 84 HG1 GLU 84 10.009 0.335 -10.028 634 H TYR 85 HN TYR 85 7.646 0.421 -5.164 635 HA TYR 85 HA TYR 85 8.565 -2.173 -4.120 636 1HB TYR 85 HB2 TYR 85 6.463 -0.222 -3.124 637 2HB TYR 85 HB1 TYR 85 6.971 -1.677 -2.266 638 HD1 TYR 85 HD1 TYR 85 8.371 1.441 -3.811 639 HD2 TYR 85 HD2 TYR 85 8.793 -1.592 -0.799 640 HE1 TYR 85 HE1 TYR 85 10.306 2.662 -2.855 641 HE2 TYR 85 HE2 TYR 85 10.726 -0.370 0.159 642 HH TYR 85 HH TYR 85 12.348 2.066 -1.459 643 H THR 86 HN THR 86 5.952 -2.999 -3.073 644 HA THR 86 HA THR 86 4.174 -3.283 -5.361 645 HB THR 86 HB THR 86 5.256 -5.914 -4.465 646 HG1 THR 86 HG1 THR 86 6.520 -4.424 -6.496 647 1HG2 THR 86 1HG2 THR 86 3.904 -6.507 -6.159 648 2HG2 THR 86 2HG2 THR 86 4.992 -5.671 -7.268 649 3HG2 THR 86 3HG2 THR 86 3.618 -4.814 -6.567 650 H PHE 87 HN PHE 87 2.667 -2.529 -3.750 651 HA PHE 87 HA PHE 87 2.092 -4.435 -1.565 652 1HB PHE 87 HB2 PHE 87 0.351 -2.498 -1.030 653 2HB PHE 87 HB1 PHE 87 2.038 -2.372 -0.534 654 HD1 PHE 87 HD1 PHE 87 3.502 -0.765 -1.498 655 HD2 PHE 87 HD2 PHE 87 -0.409 -1.403 -3.140 656 HE1 PHE 87 HE1 PHE 87 3.775 1.241 -2.914 657 HE2 PHE 87 HE2 PHE 87 -0.146 0.603 -4.559 658 HZ PHE 87 HZ PHE 87 1.948 1.937 -4.451 659 H TYR 88 HN TYR 88 -0.257 -5.032 -1.268 660 HA TYR 88 HA TYR 88 -1.997 -4.637 -3.577 661 1HB TYR 88 HB2 TYR 88 -2.173 -7.038 -4.127 662 2HB TYR 88 HB1 TYR 88 -0.529 -6.447 -4.371 663 HD1 TYR 88 HD1 TYR 88 -2.510 -8.938 -2.798 664 HD2 TYR 88 HD2 TYR 88 1.072 -6.623 -2.305 665 HE1 TYR 88 HE1 TYR 88 -1.657 -10.605 -1.174 666 HE2 TYR 88 HE2 TYR 88 1.928 -8.290 -0.684 667 HH TYR 88 HH TYR 88 1.559 -10.726 -0.186 668 H CYS 89 HN CYS 89 -3.731 -6.782 -3.142 669 HA CYS 89 HA CYS 89 -4.600 -6.319 -0.319 670 1HB CYS 89 HB2 CYS 89 -5.900 -5.445 -2.586 671 2HB CYS 89 HB1 CYS 89 -6.708 -6.977 -2.254 672 H GLU 90 HN GLU 90 -5.049 -8.148 0.829 673 HA GLU 90 HA GLU 90 -4.470 -10.731 -0.352 674 1HB GLU 90 HB2 GLU 90 -3.873 -10.434 1.944 675 2HB GLU 90 HB1 GLU 90 -5.499 -9.900 2.368 676 1HG GLU 90 HG2 GLU 90 -5.522 -12.508 1.065 677 2HG GLU 90 HG1 GLU 90 -4.539 -12.513 2.529 678 HA PRO 91 HA PRO 91 -9.189 -11.346 0.145 679 1HB PRO 91 HB2 PRO 91 -10.731 -9.088 0.431 680 2HB PRO 91 HB1 PRO 91 -10.092 -10.022 1.794 681 1HG PRO 91 HG2 PRO 91 -9.193 -7.383 0.746 682 2HG PRO 91 HG1 PRO 91 -9.040 -8.054 2.378 683 1HD PRO 91 HD2 PRO 91 -6.993 -7.926 0.429 684 2HD PRO 91 HD1 PRO 91 -6.942 -8.858 1.938 685 H HIS 92 HN HIS 92 -8.795 -8.069 -1.298 686 HA HIS 92 HA HIS 92 -10.339 -8.929 -3.653 687 1HB HIS 92 HB2 HIS 92 -8.865 -6.313 -3.240 688 2HB HIS 92 HB1 HIS 92 -10.154 -6.640 -4.398 689 HD2 HIS 92 HD2 HIS 92 -12.783 -6.811 -3.235 690 HE1 HIS 92 HE1 HIS 92 -11.625 -5.389 0.551 691 HE2 HIS 92 HE2 HIS 92 -13.591 -5.990 -0.912 692 H ARG 93 HN ARG 93 -8.375 -10.634 -3.763 693 HA ARG 93 HA ARG 93 -5.982 -9.581 -5.081 694 1HB ARG 93 HB2 ARG 93 -6.109 -11.682 -3.602 695 2HB ARG 93 HB1 ARG 93 -6.843 -12.477 -4.995 696 1HG ARG 93 HG2 ARG 93 -4.801 -12.800 -5.879 697 2HG ARG 93 HG1 ARG 93 -4.555 -11.055 -5.928 698 1HD ARG 93 HD2 ARG 93 -4.244 -11.899 -3.219 699 2HD ARG 93 HD1 ARG 93 -3.275 -12.970 -4.233 700 HE ARG 93 HE ARG 93 -3.024 -9.997 -4.441 701 1HH1 ARG 93 HH21 ARG 93 -1.614 -12.562 -2.867 702 2HH1 ARG 93 HH22 ARG 93 -0.027 -12.343 -3.525 703 1HH2 ARG 93 HH11 ARG 93 -1.028 -9.969 -5.845 704 2HH2 ARG 93 HH12 ARG 93 0.305 -10.874 -5.209 705 H GLY 94 HN GLY 94 -9.113 -10.123 -6.095 706 1HA GLY 94 HA2 GLY 94 -8.209 -10.703 -8.888 707 2HA GLY 94 HA1 GLY 94 -9.792 -11.168 -8.261 708 H ALA 95 HN ALA 95 -8.715 -8.117 -7.161 709 HA ALA 95 HA ALA 95 -10.410 -6.776 -9.229 710 1HB ALA 95 HB1 ALA 95 -10.979 -6.935 -6.544 711 2HB ALA 95 HB2 ALA 95 -11.564 -5.661 -7.614 712 3HB ALA 95 HB3 ALA 95 -10.118 -5.399 -6.638 713 H GLY 96 HN GLY 96 -7.535 -7.216 -9.298 714 1HA GLY 96 HA2 GLY 96 -5.505 -6.023 -9.499 715 2HA GLY 96 HA1 GLY 96 -6.548 -4.855 -10.311 716 H MET 97 HN MET 97 -5.899 -5.857 -6.922 717 HA MET 97 HA MET 97 -5.995 -2.960 -6.196 718 1HB MET 97 HB2 MET 97 -6.286 -5.424 -4.445 719 2HB MET 97 HB1 MET 97 -6.385 -3.756 -3.882 720 1HG MET 97 HG2 MET 97 -8.173 -3.741 -5.963 721 2HG MET 97 HG1 MET 97 -8.383 -5.372 -5.327 722 1HE MET 97 HE1 MET 97 -8.647 -1.775 -5.081 723 2HE MET 97 HE2 MET 97 -7.743 -1.680 -3.571 724 3HE MET 97 HE3 MET 97 -9.476 -1.365 -3.573 725 H VAL 98 HN VAL 98 -3.649 -3.556 -7.372 726 HA VAL 98 HA VAL 98 -1.769 -3.618 -5.069 727 HB VAL 98 HB VAL 98 -1.540 -5.847 -5.829 728 1HG1 VAL 98 1HG1 VAL 98 -1.441 -6.463 -8.198 729 2HG1 VAL 98 2HG1 VAL 98 -1.550 -4.765 -8.661 730 3HG1 VAL 98 3HG1 VAL 98 -2.916 -5.553 -7.872 731 1HG2 VAL 98 1HG2 VAL 98 0.555 -4.047 -6.169 732 2HG2 VAL 98 2HG2 VAL 98 0.539 -4.946 -7.685 733 3HG2 VAL 98 3HG2 VAL 98 0.703 -5.804 -6.153 734 H GLY 99 HN GLY 99 0.028 -2.285 -5.339 735 1HA GLY 99 HA2 GLY 99 0.521 -1.031 -7.950 736 2HA GLY 99 HA1 GLY 99 0.011 0.058 -6.660 737 H LYS 100 HN LYS 100 2.437 0.651 -7.574 738 HA LYS 100 HA LYS 100 4.287 -0.514 -5.531 739 1HB LYS 100 HB2 LYS 100 5.267 0.515 -8.185 740 2HB LYS 100 HB1 LYS 100 6.050 -0.611 -7.077 741 1HG LYS 100 HG2 LYS 100 5.250 -2.235 -8.439 742 2HG LYS 100 HG1 LYS 100 3.691 -1.913 -7.679 743 1HD LYS 100 HD2 LYS 100 3.055 -0.398 -9.430 744 2HD LYS 100 HD1 LYS 100 4.686 -0.397 -10.103 745 1HE LYS 100 HE2 LYS 100 4.130 -3.064 -10.143 746 2HE LYS 100 HE1 LYS 100 2.521 -2.392 -10.409 747 1HZ LYS 100 HZ1 LYS 100 4.940 -1.624 -11.948 748 2HZ LYS 100 HZ2 LYS 100 3.345 -1.122 -12.245 749 3HZ LYS 100 HZ3 LYS 100 3.785 -2.747 -12.477 750 H ILE 101 HN ILE 101 5.571 0.980 -4.436 751 HA ILE 101 HA ILE 101 4.770 3.797 -4.716 752 HB ILE 101 HB ILE 101 5.762 2.119 -2.600 753 1HG1 ILE 101 2HG1 ILE 101 4.762 4.968 -2.794 754 2HG1 ILE 101 1HG1 ILE 101 3.852 3.535 -2.316 755 1HG2 ILE 101 1HG2 ILE 101 7.501 3.426 -1.612 756 2HG2 ILE 101 2HG2 ILE 101 7.291 4.725 -2.787 757 3HG2 ILE 101 3HG2 ILE 101 7.987 3.185 -3.290 758 1HD1 ILE 101 HD11 ILE 101 6.134 3.714 -0.608 759 2HD1 ILE 101 HD12 ILE 101 4.435 3.890 -0.172 760 3HD1 ILE 101 HD13 ILE 101 5.373 5.305 -0.652 761 H THR 102 HN THR 102 6.363 5.508 -5.018 762 HA THR 102 HA THR 102 8.766 4.575 -6.539 763 HB THR 102 HB THR 102 7.998 7.349 -7.011 764 HG1 THR 102 HG1 THR 102 6.199 5.466 -8.047 765 1HG2 THR 102 1HG2 THR 102 9.296 6.639 -8.726 766 2HG2 THR 102 2HG2 THR 102 7.790 5.997 -9.384 767 3HG2 THR 102 3HG2 THR 102 8.871 4.947 -8.468 768 H VAL 103 HN VAL 103 10.281 4.630 -4.872 769 HA VAL 103 HA VAL 103 10.432 7.094 -3.218 770 HB VAL 103 HB VAL 103 11.732 4.371 -2.975 771 1HG1 VAL 103 1HG1 VAL 103 12.306 6.979 -1.597 772 2HG1 VAL 103 2HG1 VAL 103 13.434 5.742 -2.152 773 3HG1 VAL 103 3HG1 VAL 103 12.468 5.468 -0.702 774 1HG2 VAL 103 1HG2 VAL 103 9.258 5.310 -2.158 775 2HG2 VAL 103 2HG2 VAL 103 10.253 5.530 -0.719 776 3HG2 VAL 103 3HG2 VAL 103 10.107 3.934 -1.454 777 H ALA 104 HN ALA 104 11.241 8.328 -5.115 778 HA ALA 104 HA ALA 104 13.688 7.677 -6.443 779 1HB ALA 104 HB1 ALA 104 11.800 9.623 -6.750 780 2HB ALA 104 HB2 ALA 104 13.384 9.663 -7.525 781 3HB ALA 104 HB3 ALA 104 13.113 10.549 -6.024 782 H GLY 105 HN GLY 105 15.810 8.029 -5.852 783 1HA GLY 105 HA2 GLY 105 17.422 9.468 -4.574 784 2HA GLY 105 HA1 GLY 105 16.266 9.422 -3.242 Start of MODEL 18 1 1H GLU 1 HT1 GLU 1 5.108 16.165 3.808 2 2H GLU 1 HT2 GLU 1 5.598 15.654 2.263 3 3H GLU 1 HT3 GLU 1 5.142 14.511 3.435 4 HA GLU 1 HA GLU 1 3.010 16.281 3.161 5 1HB GLU 1 HB2 GLU 1 4.416 16.492 0.870 6 2HB GLU 1 HB1 GLU 1 3.482 15.042 0.497 7 1HG GLU 1 HG2 GLU 1 1.799 16.439 -0.071 8 2HG GLU 1 HG1 GLU 1 1.608 16.731 1.658 9 H THR 2 HN THR 2 1.073 14.928 2.369 10 HA THR 2 HA THR 2 1.586 12.026 2.885 11 HB THR 2 HB THR 2 -1.041 13.166 3.686 12 HG1 THR 2 HG1 THR 2 -0.125 14.607 4.890 13 1HG2 THR 2 1HG2 THR 2 0.909 11.219 4.946 14 2HG2 THR 2 2HG2 THR 2 -0.505 10.789 3.984 15 3HG2 THR 2 3HG2 THR 2 -0.710 11.573 5.550 16 H TYR 3 HN TYR 3 0.709 10.690 1.358 17 HA TYR 3 HA TYR 3 -1.058 11.946 -0.689 18 1HB TYR 3 HB2 TYR 3 0.540 9.368 -0.804 19 2HB TYR 3 HB1 TYR 3 -0.393 10.061 -2.131 20 HD1 TYR 3 HD1 TYR 3 0.724 11.413 -3.665 21 HD2 TYR 3 HD2 TYR 3 2.247 11.086 0.339 22 HE1 TYR 3 HE1 TYR 3 2.651 12.847 -4.280 23 HE2 TYR 3 HE2 TYR 3 4.174 12.519 -0.277 24 HH TYR 3 HH TYR 3 4.921 14.007 -1.864 25 H THR 4 HN THR 4 -2.658 10.202 -1.665 26 HA THR 4 HA THR 4 -3.708 8.421 0.469 27 HB THR 4 HB THR 4 -5.891 9.799 -0.847 28 HG1 THR 4 HG1 THR 4 -4.317 11.446 0.802 29 1HG2 THR 4 1HG2 THR 4 -6.157 10.419 1.735 30 2HG2 THR 4 2HG2 THR 4 -4.943 9.151 1.907 31 3HG2 THR 4 3HG2 THR 4 -6.490 8.793 1.139 32 H VAL 5 HN VAL 5 -3.530 6.508 -0.660 33 HA VAL 5 HA VAL 5 -4.355 6.422 -3.500 34 HB VAL 5 HB VAL 5 -3.416 4.166 -3.468 35 1HG1 VAL 5 1HG1 VAL 5 -1.071 4.779 -2.618 36 2HG1 VAL 5 2HG1 VAL 5 -1.771 6.330 -2.155 37 3HG1 VAL 5 3HG1 VAL 5 -1.764 5.836 -3.848 38 1HG2 VAL 5 1HG2 VAL 5 -2.190 3.764 -1.076 39 2HG2 VAL 5 2HG2 VAL 5 -3.775 3.103 -1.473 40 3HG2 VAL 5 3HG2 VAL 5 -3.650 4.598 -0.545 41 H LYS 6 HN LYS 6 -6.619 6.951 -2.463 42 HA LYS 6 HA LYS 6 -8.120 5.154 -0.947 43 1HB LYS 6 HB2 LYS 6 -8.667 7.432 -2.410 44 2HB LYS 6 HB1 LYS 6 -9.608 6.199 -3.252 45 1HG LYS 6 HG2 LYS 6 -10.212 5.519 -0.725 46 2HG LYS 6 HG1 LYS 6 -9.894 7.235 -0.476 47 1HD LYS 6 HD2 LYS 6 -11.816 6.086 -2.522 48 2HD LYS 6 HD1 LYS 6 -12.277 6.840 -0.995 49 1HE LYS 6 HE2 LYS 6 -10.737 8.810 -1.960 50 2HE LYS 6 HE1 LYS 6 -11.239 8.096 -3.492 51 1HZ LYS 6 HZ1 LYS 6 -12.821 9.479 -1.479 52 2HZ LYS 6 HZ2 LYS 6 -13.559 8.146 -2.231 53 3HZ LYS 6 HZ3 LYS 6 -12.996 9.449 -3.165 54 H LEU 7 HN LEU 7 -7.796 2.952 -1.357 55 HA LEU 7 HA LEU 7 -7.724 1.802 -3.983 56 1HB LEU 7 HB2 LEU 7 -8.442 -0.316 -2.570 57 2HB LEU 7 HB1 LEU 7 -6.822 0.349 -2.408 58 HG LEU 7 HG LEU 7 -8.841 1.582 -0.649 59 1HD1 LEU 7 HD11 LEU 7 -8.212 -1.356 -0.569 60 2HD1 LEU 7 HD12 LEU 7 -9.752 -0.542 -0.292 61 3HD1 LEU 7 HD13 LEU 7 -8.488 -0.479 0.936 62 1HD2 LEU 7 HD21 LEU 7 -6.525 0.370 0.604 63 2HD2 LEU 7 HD22 LEU 7 -6.940 2.078 0.467 64 3HD2 LEU 7 HD23 LEU 7 -6.042 1.284 -0.825 65 H GLY 8 HN GLY 8 -9.420 0.433 -4.948 66 1HA GLY 8 HA2 GLY 8 -11.651 -0.055 -5.528 67 2HA GLY 8 HA1 GLY 8 -12.136 0.542 -3.939 68 H SER 9 HN SER 9 -13.005 1.103 -6.890 69 HA SER 9 HA SER 9 -12.662 4.059 -6.862 70 1HB SER 9 HB2 SER 9 -13.906 3.697 -9.170 71 2HB SER 9 HB1 SER 9 -12.182 3.366 -9.022 72 HG SER 9 HG SER 9 -13.161 1.596 -9.965 73 H ASP 10 HN ASP 10 -15.358 1.901 -7.813 74 HA ASP 10 HA ASP 10 -17.213 2.579 -5.848 75 1HB ASP 10 HB2 ASP 10 -18.504 4.400 -7.217 76 2HB ASP 10 HB1 ASP 10 -17.131 4.890 -6.223 77 H LYS 11 HN LYS 11 -17.030 2.589 -9.427 78 HA LYS 11 HA LYS 11 -19.194 0.524 -9.392 79 1HB LYS 11 HB2 LYS 11 -19.016 3.083 -10.863 80 2HB LYS 11 HB1 LYS 11 -19.506 1.696 -11.836 81 1HG LYS 11 HG2 LYS 11 -21.546 1.649 -10.879 82 2HG LYS 11 HG1 LYS 11 -20.848 1.687 -9.260 83 1HD LYS 11 HD2 LYS 11 -21.953 3.718 -9.247 84 2HD LYS 11 HD1 LYS 11 -20.398 4.233 -9.902 85 1HE LYS 11 HE2 LYS 11 -22.629 3.316 -11.715 86 2HE LYS 11 HE1 LYS 11 -22.532 4.987 -11.157 87 1HZ LYS 11 HZ1 LYS 11 -21.380 4.900 -13.190 88 2HZ LYS 11 HZ2 LYS 11 -20.546 3.484 -12.761 89 3HZ LYS 11 HZ3 LYS 11 -20.178 4.955 -11.994 90 H GLY 12 HN GLY 12 -16.168 0.401 -9.578 91 1HA GLY 12 HA2 GLY 12 -16.065 -1.111 -12.157 92 2HA GLY 12 HA1 GLY 12 -14.704 -0.133 -11.605 93 H LEU 13 HN LEU 13 -13.150 -1.260 -10.571 94 HA LEU 13 HA LEU 13 -13.958 -3.743 -9.105 95 1HB LEU 13 HB2 LEU 13 -11.391 -3.195 -10.632 96 2HB LEU 13 HB1 LEU 13 -11.717 -4.648 -9.689 97 HG LEU 13 HG LEU 13 -12.203 -5.163 -11.993 98 1HD1 LEU 13 HD11 LEU 13 -13.827 -5.901 -10.179 99 2HD1 LEU 13 HD12 LEU 13 -14.484 -5.872 -11.815 100 3HD1 LEU 13 HD13 LEU 13 -14.868 -4.571 -10.688 101 1HD2 LEU 13 HD21 LEU 13 -14.373 -3.190 -12.319 102 2HD2 LEU 13 HD22 LEU 13 -13.136 -3.700 -13.467 103 3HD2 LEU 13 HD23 LEU 13 -12.759 -2.482 -12.247 104 H LEU 14 HN LEU 14 -11.621 -4.268 -7.775 105 HA LEU 14 HA LEU 14 -11.412 -1.923 -5.954 106 1HB LEU 14 HB2 LEU 14 -10.780 -4.862 -5.651 107 2HB LEU 14 HB1 LEU 14 -10.225 -3.661 -4.486 108 HG LEU 14 HG LEU 14 -13.115 -4.027 -5.305 109 1HD1 LEU 14 HD11 LEU 14 -11.432 -5.249 -3.160 110 2HD1 LEU 14 HD12 LEU 14 -12.800 -5.933 -4.039 111 3HD1 LEU 14 HD13 LEU 14 -13.078 -4.778 -2.735 112 1HD2 LEU 14 HD21 LEU 14 -11.652 -1.997 -3.842 113 2HD2 LEU 14 HD22 LEU 14 -12.839 -2.771 -2.793 114 3HD2 LEU 14 HD23 LEU 14 -13.355 -2.018 -4.302 115 H VAL 15 HN VAL 15 -9.821 -0.597 -6.808 116 HA VAL 15 HA VAL 15 -7.124 -1.828 -7.125 117 HB VAL 15 HB VAL 15 -6.801 -0.231 -9.094 118 1HG1 VAL 15 1HG1 VAL 15 -7.380 -1.918 -10.552 119 2HG1 VAL 15 2HG1 VAL 15 -8.969 -2.147 -9.821 120 3HG1 VAL 15 3HG1 VAL 15 -7.535 -2.813 -9.039 121 1HG2 VAL 15 1HG2 VAL 15 -9.423 0.531 -8.270 122 2HG2 VAL 15 2HG2 VAL 15 -9.568 -0.210 -9.864 123 3HG2 VAL 15 3HG2 VAL 15 -8.489 1.165 -9.626 124 H PHE 16 HN PHE 16 -5.385 -0.134 -7.038 125 HA PHE 16 HA PHE 16 -5.975 1.765 -4.892 126 1HB PHE 16 HB2 PHE 16 -3.516 0.873 -6.360 127 2HB PHE 16 HB1 PHE 16 -3.466 2.388 -5.458 128 HD1 PHE 16 HD1 PHE 16 -4.549 -1.182 -5.081 129 HD2 PHE 16 HD2 PHE 16 -3.012 2.342 -3.165 130 HE1 PHE 16 HE1 PHE 16 -4.294 -2.445 -2.963 131 HE2 PHE 16 HE2 PHE 16 -2.756 1.079 -1.047 132 HZ PHE 16 HZ PHE 16 -3.398 -1.315 -0.945 133 H GLU 17 HN GLU 17 -6.223 3.977 -5.121 134 HA GLU 17 HA GLU 17 -5.915 5.071 -7.886 135 1HB GLU 17 HB2 GLU 17 -8.172 5.333 -5.927 136 2HB GLU 17 HB1 GLU 17 -7.852 6.647 -7.060 137 1HG GLU 17 HG2 GLU 17 -8.157 3.766 -7.936 138 2HG GLU 17 HG1 GLU 17 -9.511 4.895 -7.871 139 HA PRO 18 HA PRO 18 -4.687 6.009 -8.815 140 1HB PRO 18 HB2 PRO 18 -2.029 6.638 -9.074 141 2HB PRO 18 HB1 PRO 18 -3.337 7.788 -9.378 142 1HG PRO 18 HG2 PRO 18 -1.465 7.627 -7.069 143 2HG PRO 18 HG1 PRO 18 -2.330 9.031 -7.716 144 1HD PRO 18 HD2 PRO 18 -3.047 7.555 -5.415 145 2HD PRO 18 HD1 PRO 18 -4.064 8.743 -6.256 146 H ALA 19 HN ALA 19 -3.128 4.322 -9.748 147 HA ALA 19 HA ALA 19 -2.760 2.167 -7.867 148 1HB ALA 19 HB1 ALA 19 -3.149 1.425 -10.059 149 2HB ALA 19 HB2 ALA 19 -1.406 1.212 -9.900 150 3HB ALA 19 HB3 ALA 19 -2.049 2.613 -10.757 151 H LYS 20 HN LYS 20 -0.316 3.827 -9.888 152 HA LYS 20 HA LYS 20 1.789 3.075 -7.973 153 1HB LYS 20 HB2 LYS 20 3.207 4.483 -9.627 154 2HB LYS 20 HB1 LYS 20 2.524 2.969 -10.219 155 1HG LYS 20 HG2 LYS 20 0.972 4.028 -11.557 156 2HG LYS 20 HG1 LYS 20 0.862 5.434 -10.498 157 1HD LYS 20 HD2 LYS 20 3.106 6.162 -11.238 158 2HD LYS 20 HD1 LYS 20 3.199 4.767 -12.314 159 1HE LYS 20 HE2 LYS 20 0.904 6.717 -12.483 160 2HE LYS 20 HE1 LYS 20 2.419 7.012 -13.336 161 1HZ LYS 20 HZ1 LYS 20 2.174 5.038 -14.565 162 2HZ LYS 20 HZ2 LYS 20 0.654 5.795 -14.615 163 3HZ LYS 20 HZ3 LYS 20 0.914 4.473 -13.580 164 H LEU 21 HN LEU 21 3.219 4.770 -7.026 165 HA LEU 21 HA LEU 21 2.085 7.491 -6.900 166 1HB LEU 21 HB2 LEU 21 1.065 5.853 -5.082 167 2HB LEU 21 HB1 LEU 21 2.597 6.165 -4.263 168 HG LEU 21 HG LEU 21 1.633 8.662 -5.232 169 1HD1 LEU 21 HD11 LEU 21 -0.589 8.759 -4.755 170 2HD1 LEU 21 HD12 LEU 21 -0.426 7.715 -3.343 171 3HD1 LEU 21 HD13 LEU 21 -0.536 7.008 -4.955 172 1HD2 LEU 21 HD21 LEU 21 2.473 9.202 -3.212 173 2HD2 LEU 21 HD22 LEU 21 2.694 7.484 -2.878 174 3HD2 LEU 21 HD23 LEU 21 1.198 8.289 -2.406 175 H THR 22 HN THR 22 3.602 9.029 -6.149 176 HA THR 22 HA THR 22 6.387 7.975 -5.867 177 HB THR 22 HB THR 22 5.605 10.780 -6.696 178 HG1 THR 22 HG1 THR 22 6.208 8.541 -8.330 179 1HG2 THR 22 1HG2 THR 22 8.125 9.117 -6.869 180 2HG2 THR 22 2HG2 THR 22 7.883 10.606 -5.956 181 3HG2 THR 22 3HG2 THR 22 7.916 10.648 -7.719 182 H ILE 23 HN ILE 23 7.138 8.146 -3.805 183 HA ILE 23 HA ILE 23 6.239 10.471 -2.188 184 HB ILE 23 HB ILE 23 6.319 8.877 -0.192 185 1HG1 ILE 23 2HG1 ILE 23 5.625 6.542 -1.712 186 2HG1 ILE 23 1HG1 ILE 23 7.198 7.119 -2.258 187 1HG2 ILE 23 1HG2 ILE 23 4.287 8.850 -2.395 188 2HG2 ILE 23 2HG2 ILE 23 4.161 9.515 -0.767 189 3HG2 ILE 23 3HG2 ILE 23 4.067 7.772 -1.017 190 1HD1 ILE 23 HD11 ILE 23 7.308 5.512 -0.316 191 2HD1 ILE 23 HD12 ILE 23 6.483 6.727 0.659 192 3HD1 ILE 23 HD13 ILE 23 8.078 7.067 -0.011 193 H LYS 24 HN LYS 24 7.712 10.563 -0.112 194 HA LYS 24 HA LYS 24 10.490 10.505 -1.110 195 1HB LYS 24 HB2 LYS 24 8.993 12.161 0.698 196 2HB LYS 24 HB1 LYS 24 10.376 11.481 1.559 197 1HG LYS 24 HG2 LYS 24 11.250 13.440 0.576 198 2HG LYS 24 HG1 LYS 24 11.745 12.163 -0.536 199 1HD LYS 24 HD2 LYS 24 9.381 12.720 -1.643 200 2HD LYS 24 HD1 LYS 24 9.678 14.288 -0.892 201 1HE LYS 24 HE2 LYS 24 12.091 13.940 -1.969 202 2HE LYS 24 HE1 LYS 24 11.182 12.918 -3.081 203 1HZ LYS 24 HZ1 LYS 24 11.411 15.626 -3.223 204 2HZ LYS 24 HZ2 LYS 24 9.870 15.403 -2.545 205 3HZ LYS 24 HZ3 LYS 24 10.258 14.684 -4.034 206 HA PRO 25 HA PRO 25 11.776 7.165 1.409 207 1HB PRO 25 HB2 PRO 25 14.077 8.083 2.601 208 2HB PRO 25 HB1 PRO 25 13.966 7.646 0.887 209 1HG PRO 25 HG2 PRO 25 14.083 10.356 2.130 210 2HG PRO 25 HG1 PRO 25 14.597 9.839 0.516 211 1HD PRO 25 HD2 PRO 25 12.201 11.213 1.127 212 2HD PRO 25 HD1 PRO 25 12.570 10.391 -0.405 213 H GLY 26 HN GLY 26 10.045 7.110 2.989 214 1HA GLY 26 HA2 GLY 26 9.904 6.749 5.439 215 2HA GLY 26 HA1 GLY 26 10.846 8.225 5.646 216 H ASP 27 HN ASP 27 8.677 8.676 3.133 217 HA ASP 27 HA ASP 27 7.128 10.594 4.614 218 1HB ASP 27 HB2 ASP 27 6.989 9.409 1.865 219 2HB ASP 27 HB1 ASP 27 5.590 10.295 2.473 220 H THR 28 HN THR 28 4.539 10.318 4.292 221 HA THR 28 HA THR 28 3.873 7.680 5.500 222 HB THR 28 HB THR 28 2.245 10.189 5.867 223 HG1 THR 28 HG1 THR 28 3.458 10.575 7.718 224 1HG2 THR 28 1HG2 THR 28 1.813 7.567 6.562 225 2HG2 THR 28 2HG2 THR 28 1.086 8.954 7.372 226 3HG2 THR 28 3HG2 THR 28 2.548 8.216 8.027 227 H VAL 29 HN VAL 29 2.413 6.455 4.376 228 HA VAL 29 HA VAL 29 0.888 7.807 2.210 229 HB VAL 29 HB VAL 29 1.591 4.872 2.287 230 1HG1 VAL 29 1HG1 VAL 29 -0.048 5.146 0.667 231 2HG1 VAL 29 2HG1 VAL 29 1.397 5.463 -0.293 232 3HG1 VAL 29 3HG1 VAL 29 0.431 6.807 0.316 233 1HG2 VAL 29 1HG2 VAL 29 3.132 6.539 0.438 234 2HG2 VAL 29 2HG2 VAL 29 3.691 5.286 1.545 235 3HG2 VAL 29 3HG2 VAL 29 3.453 6.934 2.126 236 H GLU 30 HN GLU 30 -1.327 7.572 2.240 237 HA GLU 30 HA GLU 30 -2.447 5.957 4.459 238 1HB GLU 30 HB2 GLU 30 -3.000 8.569 3.488 239 2HB GLU 30 HB1 GLU 30 -4.423 7.580 3.161 240 1HG GLU 30 HG2 GLU 30 -4.450 6.835 5.514 241 2HG GLU 30 HG1 GLU 30 -3.029 7.827 5.843 242 H PHE 31 HN PHE 31 -3.607 4.143 3.992 243 HA PHE 31 HA PHE 31 -4.605 3.817 1.185 244 1HB PHE 31 HB2 PHE 31 -3.940 1.315 2.596 245 2HB PHE 31 HB1 PHE 31 -3.563 1.803 0.945 246 HD1 PHE 31 HD1 PHE 31 -2.478 2.007 4.479 247 HD2 PHE 31 HD2 PHE 31 -1.469 2.889 0.398 248 HE1 PHE 31 HE1 PHE 31 -0.156 2.527 5.163 249 HE2 PHE 31 HE2 PHE 31 0.854 3.406 1.085 250 HZ PHE 31 HZ PHE 31 1.508 3.227 3.467 251 H LEU 32 HN LEU 32 -6.662 4.580 2.041 252 HA LEU 32 HA LEU 32 -7.959 2.903 4.095 253 1HB LEU 32 HB2 LEU 32 -9.781 4.630 3.889 254 2HB LEU 32 HB1 LEU 32 -8.222 5.267 4.414 255 HG LEU 32 HG LEU 32 -8.587 5.188 1.488 256 1HD1 LEU 32 HD11 LEU 32 -10.885 5.801 2.456 257 2HD1 LEU 32 HD12 LEU 32 -10.171 6.959 1.335 258 3HD1 LEU 32 HD13 LEU 32 -10.114 7.263 3.070 259 1HD2 LEU 32 HD21 LEU 32 -7.010 6.796 1.658 260 2HD2 LEU 32 HD22 LEU 32 -6.984 6.482 3.393 261 3HD2 LEU 32 HD23 LEU 32 -8.020 7.752 2.742 262 H ASN 33 HN ASN 33 -10.088 2.037 3.742 263 HA ASN 33 HA ASN 33 -10.320 0.775 1.140 264 1HB ASN 33 HB2 ASN 33 -11.878 -0.623 2.135 265 2HB ASN 33 HB1 ASN 33 -10.882 -0.150 3.505 266 1HD2 ASN 33 HD21 ASN 33 -12.728 -0.691 4.872 267 2HD2 ASN 33 HD22 ASN 33 -14.003 0.410 5.059 268 H ASN 34 HN ASN 34 -12.562 0.695 0.104 269 HA ASN 34 HA ASN 34 -14.079 3.222 0.278 270 1HB ASN 34 HB2 ASN 34 -12.265 3.700 -1.350 271 2HB ASN 34 HB1 ASN 34 -12.766 2.302 -2.302 272 1HD2 ASN 34 HD21 ASN 34 -14.945 2.399 -3.319 273 2HD2 ASN 34 HD22 ASN 34 -15.672 3.902 -3.620 274 H LYS 35 HN LYS 35 -13.621 0.041 -1.204 275 HA LYS 35 HA LYS 35 -16.523 -0.109 -1.815 276 1HB LYS 35 HB2 LYS 35 -14.502 -0.818 -3.391 277 2HB LYS 35 HB1 LYS 35 -14.621 -2.316 -2.466 278 1HG LYS 35 HG2 LYS 35 -16.520 -2.920 -3.522 279 2HG LYS 35 HG1 LYS 35 -17.246 -1.334 -3.259 280 1HD LYS 35 HD2 LYS 35 -16.388 -0.462 -5.252 281 2HD LYS 35 HD1 LYS 35 -15.101 -1.666 -5.337 282 1HE LYS 35 HE2 LYS 35 -16.474 -3.273 -6.250 283 2HE LYS 35 HE1 LYS 35 -17.907 -2.670 -5.419 284 1HZ LYS 35 HZ1 LYS 35 -17.093 -2.150 -8.035 285 2HZ LYS 35 HZ2 LYS 35 -16.979 -0.690 -7.174 286 3HZ LYS 35 HZ3 LYS 35 -18.451 -1.539 -7.222 287 H VAL 36 HN VAL 36 -16.232 -3.100 -1.642 288 HA VAL 36 HA VAL 36 -17.290 -3.424 1.003 289 HB VAL 36 HB VAL 36 -16.348 -5.384 -1.093 290 1HG1 VAL 36 1HG1 VAL 36 -17.324 -7.160 0.254 291 2HG1 VAL 36 2HG1 VAL 36 -17.813 -6.001 1.491 292 3HG1 VAL 36 3HG1 VAL 36 -16.102 -6.328 1.216 293 1HG2 VAL 36 1HG2 VAL 36 -18.395 -4.948 -1.933 294 2HG2 VAL 36 2HG2 VAL 36 -18.763 -3.886 -0.574 295 3HG2 VAL 36 3HG2 VAL 36 -19.099 -5.614 -0.459 296 HA PRO 37 HA PRO 37 -13.217 -3.850 2.924 297 1HB PRO 37 HB2 PRO 37 -14.158 -3.322 5.450 298 2HB PRO 37 HB1 PRO 37 -13.794 -2.053 4.269 299 1HG PRO 37 HG2 PRO 37 -16.438 -3.033 5.207 300 2HG PRO 37 HG1 PRO 37 -16.009 -1.466 4.502 301 1HD PRO 37 HD2 PRO 37 -17.274 -3.650 3.168 302 2HD PRO 37 HD1 PRO 37 -16.672 -2.154 2.428 303 HA PRO 38 HA PRO 38 -12.433 -3.885 5.224 304 1HB PRO 38 HB2 PRO 38 -10.726 -5.450 6.683 305 2HB PRO 38 HB1 PRO 38 -12.249 -4.825 7.338 306 1HG PRO 38 HG2 PRO 38 -11.569 -7.601 6.542 307 2HG PRO 38 HG1 PRO 38 -12.826 -7.028 7.650 308 1HD PRO 38 HD2 PRO 38 -13.168 -7.856 4.923 309 2HD PRO 38 HD1 PRO 38 -14.402 -7.177 6.006 310 H HIS 39 HN HIS 39 -10.002 -3.649 4.832 311 HA HIS 39 HA HIS 39 -9.082 -5.548 2.714 312 1HB HIS 39 HB2 HIS 39 -8.713 -2.545 2.869 313 2HB HIS 39 HB1 HIS 39 -7.878 -3.581 1.711 314 HD2 HIS 39 HD2 HIS 39 -11.565 -2.378 2.457 315 HE1 HIS 39 HE1 HIS 39 -11.486 -4.129 -1.381 316 HE2 HIS 39 HE2 HIS 39 -12.918 -2.894 0.301 317 H ASN 40 HN ASN 40 -6.921 -6.182 2.809 318 HA ASN 40 HA ASN 40 -5.489 -5.420 5.311 319 1HB ASN 40 HB2 ASN 40 -6.003 -7.873 4.757 320 2HB ASN 40 HB1 ASN 40 -4.807 -7.720 3.469 321 1HD2 ASN 40 HD21 ASN 40 -5.211 -7.531 7.014 322 2HD2 ASN 40 HD22 ASN 40 -3.568 -7.755 7.375 323 H VAL 41 HN VAL 41 -3.364 -4.606 5.181 324 HA VAL 41 HA VAL 41 -2.438 -3.954 2.411 325 HB VAL 41 HB VAL 41 -2.223 -2.354 4.971 326 1HG1 VAL 41 1HG1 VAL 41 -1.153 -0.741 3.088 327 2HG1 VAL 41 2HG1 VAL 41 -0.626 -2.304 2.461 328 3HG1 VAL 41 3HG1 VAL 41 -0.173 -1.810 4.093 329 1HG2 VAL 41 1HG2 VAL 41 -4.206 -1.633 4.096 330 2HG2 VAL 41 2HG2 VAL 41 -3.836 -2.260 2.489 331 3HG2 VAL 41 3HG2 VAL 41 -3.168 -0.712 3.006 332 H VAL 42 HN VAL 42 -0.530 -4.865 1.884 333 HA VAL 42 HA VAL 42 1.561 -5.201 3.940 334 HB VAL 42 HB VAL 42 0.974 -7.612 2.259 335 1HG1 VAL 42 1HG1 VAL 42 2.856 -6.999 4.152 336 2HG1 VAL 42 2HG1 VAL 42 2.358 -8.639 3.747 337 3HG1 VAL 42 3HG1 VAL 42 1.637 -7.814 5.129 338 1HG2 VAL 42 1HG2 VAL 42 -0.476 -6.934 4.839 339 2HG2 VAL 42 2HG2 VAL 42 -0.585 -8.462 3.965 340 3HG2 VAL 42 3HG2 VAL 42 -1.217 -6.985 3.239 341 H PHE 43 HN PHE 43 3.641 -5.975 2.835 342 HA PHE 43 HA PHE 43 3.693 -4.941 0.032 343 1HB PHE 43 HB2 PHE 43 5.979 -4.852 2.017 344 2HB PHE 43 HB1 PHE 43 5.854 -3.998 0.473 345 HD1 PHE 43 HD1 PHE 43 4.184 -4.362 3.791 346 HD2 PHE 43 HD2 PHE 43 4.892 -1.841 0.389 347 HE1 PHE 43 HE1 PHE 43 3.024 -2.497 4.932 348 HE2 PHE 43 HE2 PHE 43 3.732 0.029 1.536 349 HZ PHE 43 HZ PHE 43 2.798 -0.306 3.810 350 H ASP 44 HN ASP 44 4.141 -6.502 -1.409 351 HA ASP 44 HA ASP 44 4.686 -9.161 -0.972 352 1HB ASP 44 HB2 ASP 44 4.372 -7.843 -3.207 353 2HB ASP 44 HB1 ASP 44 6.134 -7.759 -3.206 354 H ALA 45 HN ALA 45 6.559 -10.452 -0.756 355 HA ALA 45 HA ALA 45 8.910 -9.002 0.315 356 1HB ALA 45 HB1 ALA 45 7.533 -11.431 1.035 357 2HB ALA 45 HB2 ALA 45 8.817 -10.593 1.906 358 3HB ALA 45 HB3 ALA 45 9.222 -11.788 0.674 359 H ALA 46 HN ALA 46 7.832 -10.718 -2.423 360 HA ALA 46 HA ALA 46 10.604 -11.430 -3.237 361 1HB ALA 46 HB1 ALA 46 9.355 -12.519 -5.195 362 2HB ALA 46 HB2 ALA 46 7.873 -12.174 -4.303 363 3HB ALA 46 HB3 ALA 46 9.095 -13.237 -3.606 364 H LEU 47 HN LEU 47 8.627 -8.800 -3.405 365 HA LEU 47 HA LEU 47 9.706 -8.013 -6.082 366 1HB LEU 47 HB2 LEU 47 7.043 -7.744 -4.875 367 2HB LEU 47 HB1 LEU 47 7.667 -6.227 -5.524 368 HG LEU 47 HG LEU 47 6.379 -7.636 -7.188 369 1HD1 LEU 47 HD11 LEU 47 8.756 -6.162 -7.475 370 2HD1 LEU 47 HD12 LEU 47 7.601 -6.561 -8.746 371 3HD1 LEU 47 HD13 LEU 47 8.988 -7.610 -8.454 372 1HD2 LEU 47 HD21 LEU 47 8.854 -9.384 -7.046 373 2HD2 LEU 47 HD22 LEU 47 7.440 -9.630 -8.072 374 3HD2 LEU 47 HD23 LEU 47 7.304 -9.816 -6.323 375 H ASN 48 HN ASN 48 11.346 -7.744 -3.872 376 HA ASN 48 HA ASN 48 11.110 -4.871 -3.104 377 1HB ASN 48 HB2 ASN 48 13.048 -5.647 -1.495 378 2HB ASN 48 HB1 ASN 48 11.375 -6.052 -1.111 379 1HD2 ASN 48 HD21 ASN 48 12.337 -7.955 0.097 380 2HD2 ASN 48 HD22 ASN 48 12.767 -9.344 -0.779 381 HA PRO 49 HA PRO 49 14.612 -3.817 -5.512 382 1HB PRO 49 HB2 PRO 49 15.723 -1.853 -3.945 383 2HB PRO 49 HB1 PRO 49 14.236 -1.632 -4.884 384 1HG PRO 49 HG2 PRO 49 14.561 -2.011 -1.941 385 2HG PRO 49 HG1 PRO 49 13.278 -1.173 -2.830 386 1HD PRO 49 HD2 PRO 49 13.092 -3.765 -1.719 387 2HD PRO 49 HD1 PRO 49 11.971 -3.056 -2.902 388 H ALA 50 HN ALA 50 15.245 -4.579 -2.104 389 HA ALA 50 HA ALA 50 17.967 -5.497 -2.931 390 1HB ALA 50 HB1 ALA 50 18.408 -3.697 -1.483 391 2HB ALA 50 HB2 ALA 50 18.492 -5.096 -0.412 392 3HB ALA 50 HB3 ALA 50 17.044 -4.089 -0.435 393 H LYS 51 HN LYS 51 15.454 -7.001 -2.893 394 HA LYS 51 HA LYS 51 14.494 -8.947 -1.915 395 1HB LYS 51 HB2 LYS 51 16.476 -10.687 -1.678 396 2HB LYS 51 HB1 LYS 51 15.981 -10.101 -3.266 397 1HG LYS 51 HG2 LYS 51 17.748 -8.394 -3.206 398 2HG LYS 51 HG1 LYS 51 18.232 -8.937 -1.599 399 1HD LYS 51 HD2 LYS 51 19.735 -9.994 -3.130 400 2HD LYS 51 HD1 LYS 51 18.595 -11.241 -2.624 401 1HE LYS 51 HE2 LYS 51 17.380 -9.999 -4.829 402 2HE LYS 51 HE1 LYS 51 19.076 -10.174 -5.279 403 1HZ LYS 51 HZ1 LYS 51 17.890 -12.467 -3.964 404 2HZ LYS 51 HZ2 LYS 51 18.934 -12.399 -5.303 405 3HZ LYS 51 HZ3 LYS 51 17.269 -12.121 -5.504 406 H SER 52 HN SER 52 15.084 -6.981 0.138 407 HA SER 52 HA SER 52 16.176 -8.663 2.339 408 1HB SER 52 HB2 SER 52 15.840 -5.724 1.909 409 2HB SER 52 HB1 SER 52 15.804 -6.330 3.562 410 HG SER 52 HG SER 52 17.900 -5.988 1.913 411 H ALA 53 HN ALA 53 14.918 -9.203 4.131 412 HA ALA 53 HA ALA 53 11.993 -8.935 3.750 413 1HB ALA 53 HB1 ALA 53 13.080 -11.144 4.334 414 2HB ALA 53 HB2 ALA 53 11.794 -10.651 5.435 415 3HB ALA 53 HB3 ALA 53 13.482 -10.455 5.907 416 H ASP 54 HN ASP 54 12.880 -6.474 4.311 417 HA ASP 54 HA ASP 54 11.988 -6.073 7.103 418 1HB ASP 54 HB2 ASP 54 14.582 -6.000 6.779 419 2HB ASP 54 HB1 ASP 54 14.268 -4.434 6.029 420 H LEU 55 HN LEU 55 10.916 -5.662 4.282 421 HA LEU 55 HA LEU 55 10.374 -2.730 4.536 422 1HB LEU 55 HB2 LEU 55 11.282 -4.278 2.295 423 2HB LEU 55 HB1 LEU 55 9.676 -3.642 1.934 424 HG LEU 55 HG LEU 55 11.408 -2.029 1.263 425 1HD1 LEU 55 HD11 LEU 55 9.244 -1.539 3.085 426 2HD1 LEU 55 HD12 LEU 55 9.874 -0.480 1.823 427 3HD1 LEU 55 HD13 LEU 55 10.555 -0.418 3.448 428 1HD2 LEU 55 HD21 LEU 55 13.058 -1.229 2.713 429 2HD2 LEU 55 HD22 LEU 55 12.933 -2.912 3.225 430 3HD2 LEU 55 HD23 LEU 55 12.132 -1.646 4.155 431 H ALA 56 HN ALA 56 9.027 -5.516 5.347 432 HA ALA 56 HA ALA 56 6.288 -4.503 4.811 433 1HB ALA 56 HB1 ALA 56 7.354 -6.596 3.331 434 2HB ALA 56 HB2 ALA 56 5.636 -6.263 3.549 435 3HB ALA 56 HB3 ALA 56 6.451 -7.417 4.604 436 H LYS 57 HN LYS 57 8.238 -7.011 6.454 437 HA LYS 57 HA LYS 57 6.417 -7.835 8.399 438 1HB LYS 57 HB2 LYS 57 9.396 -7.469 8.414 439 2HB LYS 57 HB1 LYS 57 8.577 -7.880 9.922 440 1HG LYS 57 HG2 LYS 57 7.676 -9.484 7.631 441 2HG LYS 57 HG1 LYS 57 9.383 -9.706 8.017 442 1HD LYS 57 HD2 LYS 57 8.767 -11.055 9.710 443 2HD LYS 57 HD1 LYS 57 8.033 -9.657 10.496 444 1HE LYS 57 HE2 LYS 57 5.933 -10.061 9.273 445 2HE LYS 57 HE1 LYS 57 6.664 -11.450 8.470 446 1HZ LYS 57 HZ1 LYS 57 6.625 -11.280 11.411 447 2HZ LYS 57 HZ2 LYS 57 6.732 -12.655 10.419 448 3HZ LYS 57 HZ3 LYS 57 5.257 -11.827 10.571 449 H SER 58 HN SER 58 7.991 -4.741 8.085 450 HA SER 58 HA SER 58 6.728 -3.902 10.665 451 1HB SER 58 HB2 SER 58 9.272 -3.802 10.534 452 2HB SER 58 HB1 SER 58 9.074 -2.548 9.313 453 HG SER 58 HG SER 58 8.438 -1.192 10.810 454 H LEU 59 HN LEU 59 6.953 -3.404 7.254 455 HA LEU 59 HA LEU 59 5.812 -0.712 7.285 456 1HB LEU 59 HB2 LEU 59 7.244 -2.002 5.426 457 2HB LEU 59 HB1 LEU 59 5.636 -2.452 4.863 458 HG LEU 59 HG LEU 59 4.979 -0.114 4.710 459 1HD1 LEU 59 HD11 LEU 59 7.152 1.469 5.043 460 2HD1 LEU 59 HD12 LEU 59 7.487 0.239 6.263 461 3HD1 LEU 59 HD13 LEU 59 5.983 1.159 6.328 462 1HD2 LEU 59 HD21 LEU 59 7.109 -1.308 3.209 463 2HD2 LEU 59 HD22 LEU 59 7.446 0.415 3.372 464 3HD2 LEU 59 HD23 LEU 59 5.924 -0.121 2.664 465 H SER 60 HN SER 60 4.627 -4.020 6.820 466 HA SER 60 HA SER 60 1.904 -3.141 6.235 467 1HB SER 60 HB2 SER 60 2.521 -5.908 7.187 468 2HB SER 60 HB1 SER 60 1.427 -5.383 5.909 469 HG SER 60 HG SER 60 4.051 -6.068 5.789 470 H HIS 61 HN HIS 61 0.312 -2.760 7.686 471 HA HIS 61 HA HIS 61 0.970 -2.848 10.546 472 1HB HIS 61 HB2 HIS 61 -1.273 -1.787 10.808 473 2HB HIS 61 HB1 HIS 61 -0.247 -0.918 9.667 474 HD1 HIS 61 HD1 HIS 61 -2.787 -3.777 9.466 475 HD2 HIS 61 HD2 HIS 61 -1.592 -0.400 7.323 476 HE1 HIS 61 HE1 HIS 61 -4.313 -3.624 7.444 477 H LYS 62 HN LYS 62 -0.380 -4.993 8.311 478 HA LYS 62 HA LYS 62 -1.568 -7.003 8.556 479 1HB LYS 62 HB2 LYS 62 0.053 -6.663 11.001 480 2HB LYS 62 HB1 LYS 62 -1.312 -7.767 11.172 481 1HG LYS 62 HG2 LYS 62 0.154 -8.134 8.658 482 2HG LYS 62 HG1 LYS 62 1.143 -8.431 10.088 483 1HD LYS 62 HD2 LYS 62 -1.566 -9.574 10.249 484 2HD LYS 62 HD1 LYS 62 -0.568 -10.268 8.971 485 1HE LYS 62 HE2 LYS 62 1.136 -10.909 10.512 486 2HE LYS 62 HE1 LYS 62 0.443 -9.921 11.798 487 1HZ LYS 62 HZ1 LYS 62 -1.620 -11.443 11.347 488 2HZ LYS 62 HZ2 LYS 62 -0.361 -11.956 12.365 489 3HZ LYS 62 HZ3 LYS 62 -0.441 -12.513 10.763 490 H GLN 63 HN GLN 63 -3.128 -8.070 10.499 491 HA GLN 63 HA GLN 63 -5.131 -7.823 11.708 492 1HB GLN 63 HB2 GLN 63 -3.769 -5.552 12.364 493 2HB GLN 63 HB1 GLN 63 -5.185 -4.873 11.559 494 1HG GLN 63 HG2 GLN 63 -6.686 -5.990 13.054 495 2HG GLN 63 HG1 GLN 63 -5.389 -6.987 13.713 496 1HE2 GLN 63 1HE2 GLN 63 -5.333 -6.243 15.880 497 2HE2 GLN 63 2HE2 GLN 63 -5.052 -4.626 16.313 498 H LEU 64 HN LEU 64 -7.344 -6.485 11.347 499 HA LEU 64 HA LEU 64 -7.710 -6.293 8.382 500 1HB LEU 64 HB2 LEU 64 -9.733 -7.183 10.461 501 2HB LEU 64 HB1 LEU 64 -9.983 -7.142 8.715 502 HG LEU 64 HG LEU 64 -7.870 -8.672 8.621 503 1HD1 LEU 64 HD11 LEU 64 -8.595 -8.633 11.521 504 2HD1 LEU 64 HD12 LEU 64 -7.009 -8.774 10.763 505 3HD1 LEU 64 HD13 LEU 64 -8.086 -10.169 10.819 506 1HD2 LEU 64 HD21 LEU 64 -9.760 -10.488 9.698 507 2HD2 LEU 64 HD22 LEU 64 -9.519 -10.078 8.000 508 3HD2 LEU 64 HD23 LEU 64 -10.691 -9.182 8.965 509 H LEU 65 HN LEU 65 -9.312 -4.711 7.671 510 HA LEU 65 HA LEU 65 -9.302 -2.312 9.371 511 1HB LEU 65 HB2 LEU 65 -10.107 -2.937 6.545 512 2HB LEU 65 HB1 LEU 65 -10.682 -1.453 7.300 513 HG LEU 65 HG LEU 65 -8.491 -0.614 7.596 514 1HD1 LEU 65 HD11 LEU 65 -7.563 -3.449 7.053 515 2HD1 LEU 65 HD12 LEU 65 -7.422 -2.555 8.566 516 3HD1 LEU 65 HD13 LEU 65 -6.472 -2.067 7.163 517 1HD2 LEU 65 HD21 LEU 65 -8.431 -0.193 5.379 518 2HD2 LEU 65 HD22 LEU 65 -9.230 -1.722 5.017 519 3HD2 LEU 65 HD23 LEU 65 -7.476 -1.664 5.191 520 H MET 66 HN MET 66 -11.644 -1.066 9.040 521 HA MET 66 HA MET 66 -13.923 -2.861 9.406 522 1HB MET 66 HB2 MET 66 -12.430 -2.404 11.666 523 2HB MET 66 HB1 MET 66 -13.636 -1.121 11.765 524 1HG MET 66 HG2 MET 66 -14.809 -2.832 12.787 525 2HG MET 66 HG1 MET 66 -15.284 -3.107 11.111 526 1HE MET 66 HE1 MET 66 -15.081 -6.474 10.915 527 2HE MET 66 HE2 MET 66 -14.150 -5.634 9.677 528 3HE MET 66 HE3 MET 66 -15.579 -4.868 10.367 529 H SER 67 HN SER 67 -12.603 0.425 9.656 530 HA SER 67 HA SER 67 -15.263 1.630 9.370 531 1HB SER 67 HB2 SER 67 -13.236 2.619 10.641 532 2HB SER 67 HB1 SER 67 -12.636 3.080 9.051 533 HG SER 67 HG SER 67 -15.189 3.731 10.119 534 HA PRO 68 HA PRO 68 -15.208 1.751 4.966 535 1HB PRO 68 HB2 PRO 68 -17.135 3.680 4.644 536 2HB PRO 68 HB1 PRO 68 -17.494 2.007 5.105 537 1HG PRO 68 HG2 PRO 68 -17.529 4.464 6.791 538 2HG PRO 68 HG1 PRO 68 -18.426 2.950 6.995 539 1HD PRO 68 HD2 PRO 68 -16.102 3.718 8.427 540 2HD PRO 68 HD1 PRO 68 -16.830 2.098 8.399 541 H GLY 69 HN GLY 69 -13.069 2.712 4.609 542 1HA GLY 69 HA2 GLY 69 -12.103 4.525 3.275 543 2HA GLY 69 HA1 GLY 69 -13.241 5.638 4.034 544 H GLN 70 HN GLN 70 -12.071 3.530 6.358 545 HA GLN 70 HA GLN 70 -9.872 5.425 7.080 546 1HB GLN 70 HB2 GLN 70 -12.274 5.021 8.478 547 2HB GLN 70 HB1 GLN 70 -11.063 4.109 9.381 548 1HG GLN 70 HG2 GLN 70 -9.724 6.018 9.748 549 2HG GLN 70 HG1 GLN 70 -10.511 6.926 8.456 550 1HE2 GLN 70 1HE2 GLN 70 -11.208 5.473 11.677 551 2HE2 GLN 70 2HE2 GLN 70 -12.401 6.606 12.095 552 H SER 71 HN SER 71 -8.106 4.180 6.559 553 HA SER 71 HA SER 71 -8.078 1.342 7.454 554 1HB SER 71 HB2 SER 71 -6.001 1.269 5.979 555 2HB SER 71 HB1 SER 71 -7.536 1.519 5.153 556 HG SER 71 HG SER 71 -6.337 3.835 6.041 557 H THR 72 HN THR 72 -5.032 2.788 6.841 558 HA THR 72 HA THR 72 -4.472 3.651 9.569 559 HB THR 72 HB THR 72 -3.373 1.056 8.455 560 HG1 THR 72 HG1 THR 72 -5.283 0.964 9.694 561 1HG2 THR 72 1HG2 THR 72 -2.411 2.535 10.912 562 2HG2 THR 72 2HG2 THR 72 -1.574 2.577 9.360 563 3HG2 THR 72 3HG2 THR 72 -1.745 1.052 10.229 564 H SER 73 HN SER 73 -2.441 4.787 9.621 565 HA SER 73 HA SER 73 -1.420 5.439 6.906 566 1HB SER 73 HB2 SER 73 -0.172 7.250 8.317 567 2HB SER 73 HB1 SER 73 -1.903 7.430 8.047 568 HG SER 73 HG SER 73 -0.494 6.719 10.352 569 H THR 74 HN THR 74 0.124 3.943 6.351 570 HA THR 74 HA THR 74 1.952 2.818 8.321 571 HB THR 74 HB THR 74 2.051 2.706 5.286 572 HG1 THR 74 HG1 THR 74 1.111 0.823 7.187 573 1HG2 THR 74 1HG2 THR 74 3.429 0.630 5.814 574 2HG2 THR 74 2HG2 THR 74 3.535 1.234 7.468 575 3HG2 THR 74 3HG2 THR 74 4.216 2.174 6.140 576 H THR 75 HN THR 75 3.350 4.308 9.205 577 HA THR 75 HA THR 75 4.563 6.407 7.568 578 HB THR 75 HB THR 75 5.366 5.523 10.354 579 HG1 THR 75 HG1 THR 75 3.408 6.134 10.809 580 1HG2 THR 75 1HG2 THR 75 6.973 7.056 9.784 581 2HG2 THR 75 2HG2 THR 75 5.715 8.191 10.273 582 3HG2 THR 75 3HG2 THR 75 5.957 7.824 8.565 583 H PHE 76 HN PHE 76 5.729 5.295 5.968 584 HA PHE 76 HA PHE 76 7.309 3.045 6.141 585 1HB PHE 76 HB2 PHE 76 7.549 5.577 4.560 586 2HB PHE 76 HB1 PHE 76 8.871 4.413 4.484 587 HD1 PHE 76 HD1 PHE 76 8.710 3.079 2.561 588 HD2 PHE 76 HD2 PHE 76 5.132 4.096 4.712 589 HE1 PHE 76 HE1 PHE 76 7.376 1.663 1.021 590 HE2 PHE 76 HE2 PHE 76 3.805 2.683 3.174 591 HZ PHE 76 HZ PHE 76 4.922 1.469 1.330 592 HA PRO 77 HA PRO 77 10.675 3.810 8.801 593 1HB PRO 77 HB2 PRO 77 12.754 2.603 7.460 594 2HB PRO 77 HB1 PRO 77 11.479 1.716 8.310 595 1HG PRO 77 HG2 PRO 77 11.845 2.129 5.376 596 2HG PRO 77 HG1 PRO 77 11.073 0.784 6.233 597 1HD PRO 77 HD2 PRO 77 9.713 2.870 4.937 598 2HD PRO 77 HD1 PRO 77 9.004 1.778 6.144 599 H ALA 78 HN ALA 78 13.024 4.682 8.857 600 HA ALA 78 HA ALA 78 13.077 7.202 7.371 601 1HB ALA 78 HB1 ALA 78 13.835 6.792 9.818 602 2HB ALA 78 HB2 ALA 78 14.849 7.821 8.806 603 3HB ALA 78 HB3 ALA 78 15.311 6.145 9.102 604 H ASP 79 HN ASP 79 13.752 4.225 6.346 605 HA ASP 79 HA ASP 79 16.317 4.909 5.015 606 1HB ASP 79 HB2 ASP 79 14.839 2.275 4.843 607 2HB ASP 79 HB1 ASP 79 16.546 2.586 4.533 608 H ALA 80 HN ALA 80 13.488 3.049 3.871 609 HA ALA 80 HA ALA 80 12.629 3.002 1.649 610 1HB ALA 80 HB1 ALA 80 11.106 4.511 2.679 611 2HB ALA 80 HB2 ALA 80 11.568 5.281 1.161 612 3HB ALA 80 HB3 ALA 80 12.287 5.820 2.679 613 HA PRO 81 HA PRO 81 16.413 4.854 -0.292 614 1HB PRO 81 HB2 PRO 81 17.355 2.483 -1.320 615 2HB PRO 81 HB1 PRO 81 17.793 3.105 0.281 616 1HG PRO 81 HG2 PRO 81 15.922 0.887 -0.426 617 2HG PRO 81 HG1 PRO 81 16.877 1.124 1.048 618 1HD PRO 81 HD2 PRO 81 14.117 1.647 0.781 619 2HD PRO 81 HD1 PRO 81 15.160 2.223 2.100 620 H ALA 82 HN ALA 82 16.808 5.048 -2.617 621 HA ALA 82 HA ALA 82 14.552 5.226 -4.251 622 1HB ALA 82 HB1 ALA 82 16.193 6.220 -5.446 623 2HB ALA 82 HB2 ALA 82 16.597 4.608 -6.039 624 3HB ALA 82 HB3 ALA 82 17.446 5.273 -4.644 625 H GLY 83 HN GLY 83 13.183 3.440 -4.276 626 1HA GLY 83 HA2 GLY 83 13.920 1.249 -6.026 627 2HA GLY 83 HA1 GLY 83 13.812 0.731 -4.342 628 H GLU 84 HN GLU 84 12.056 0.028 -6.634 629 HA GLU 84 HA GLU 84 9.530 1.417 -6.124 630 1HB GLU 84 HB2 GLU 84 10.437 -0.805 -7.922 631 2HB GLU 84 HB1 GLU 84 8.712 -0.620 -7.601 632 1HG GLU 84 HG2 GLU 84 8.564 1.309 -8.801 633 2HG GLU 84 HG1 GLU 84 10.131 1.893 -8.237 634 H TYR 85 HN TYR 85 7.830 0.648 -4.889 635 HA TYR 85 HA TYR 85 8.323 -1.900 -3.396 636 1HB TYR 85 HB2 TYR 85 6.813 0.556 -2.444 637 2HB TYR 85 HB1 TYR 85 7.109 -0.910 -1.509 638 HD1 TYR 85 HD1 TYR 85 9.204 -1.302 -0.432 639 HD2 TYR 85 HD2 TYR 85 8.755 1.997 -3.146 640 HE1 TYR 85 HE1 TYR 85 11.399 -0.406 0.294 641 HE2 TYR 85 HE2 TYR 85 10.951 2.893 -2.420 642 HH TYR 85 HH TYR 85 12.883 2.350 -1.319 643 H THR 86 HN THR 86 6.476 -3.276 -3.133 644 HA THR 86 HA THR 86 4.047 -2.407 -4.635 645 HB THR 86 HB THR 86 5.413 -5.101 -4.873 646 HG1 THR 86 HG1 THR 86 5.232 -4.090 -7.183 647 1HG2 THR 86 1HG2 THR 86 3.660 -5.675 -6.418 648 2HG2 THR 86 2HG2 THR 86 2.997 -4.042 -6.358 649 3HG2 THR 86 3HG2 THR 86 2.884 -5.092 -4.945 650 H PHE 87 HN PHE 87 2.350 -2.519 -3.295 651 HA PHE 87 HA PHE 87 2.339 -4.607 -1.195 652 1HB PHE 87 HB2 PHE 87 0.402 -2.974 -0.333 653 2HB PHE 87 HB1 PHE 87 2.096 -2.710 0.080 654 HD1 PHE 87 HD1 PHE 87 -0.797 -1.346 -1.540 655 HD2 PHE 87 HD2 PHE 87 3.493 -1.237 -1.485 656 HE1 PHE 87 HE1 PHE 87 -0.838 0.827 -2.719 657 HE2 PHE 87 HE2 PHE 87 3.459 0.934 -2.665 658 HZ PHE 87 HZ PHE 87 1.290 1.978 -3.285 659 H TYR 88 HN TYR 88 -0.073 -5.293 -0.673 660 HA TYR 88 HA TYR 88 -1.858 -5.111 -2.978 661 1HB TYR 88 HB2 TYR 88 -1.892 -7.525 -3.437 662 2HB TYR 88 HB1 TYR 88 -0.272 -6.872 -3.686 663 HD1 TYR 88 HD1 TYR 88 -2.197 -9.356 -2.007 664 HD2 TYR 88 HD2 TYR 88 1.346 -6.956 -1.635 665 HE1 TYR 88 HE1 TYR 88 -1.297 -10.944 -0.328 666 HE2 TYR 88 HE2 TYR 88 2.246 -8.544 0.045 667 HH TYR 88 HH TYR 88 1.987 -10.752 0.807 668 H CYS 89 HN CYS 89 -3.459 -7.319 -2.436 669 HA CYS 89 HA CYS 89 -4.314 -6.846 0.391 670 1HB CYS 89 HB2 CYS 89 -5.673 -5.942 -1.792 671 2HB CYS 89 HB1 CYS 89 -6.394 -7.539 -1.599 672 H GLU 90 HN GLU 90 -5.089 -8.683 1.481 673 HA GLU 90 HA GLU 90 -4.269 -11.248 0.329 674 1HB GLU 90 HB2 GLU 90 -3.792 -10.818 2.679 675 2HB GLU 90 HB1 GLU 90 -5.503 -10.564 3.011 676 1HG GLU 90 HG2 GLU 90 -5.136 -12.802 3.663 677 2HG GLU 90 HG1 GLU 90 -5.837 -12.946 2.051 678 HA PRO 91 HA PRO 91 -8.987 -11.991 0.651 679 1HB PRO 91 HB2 PRO 91 -10.596 -9.777 0.901 680 2HB PRO 91 HB1 PRO 91 -9.979 -10.704 2.280 681 1HG PRO 91 HG2 PRO 91 -9.115 -8.035 1.278 682 2HG PRO 91 HG1 PRO 91 -9.003 -8.710 2.911 683 1HD PRO 91 HD2 PRO 91 -6.892 -8.516 1.040 684 2HD PRO 91 HD1 PRO 91 -6.872 -9.457 2.544 685 H HIS 92 HN HIS 92 -9.332 -8.657 -0.592 686 HA HIS 92 HA HIS 92 -10.487 -9.551 -3.063 687 1HB HIS 92 HB2 HIS 92 -9.113 -6.887 -2.709 688 2HB HIS 92 HB1 HIS 92 -10.505 -7.274 -3.719 689 HD2 HIS 92 HD2 HIS 92 -12.992 -7.213 -2.377 690 HE1 HIS 92 HE1 HIS 92 -11.467 -6.200 1.416 691 HE2 HIS 92 HE2 HIS 92 -13.574 -6.514 0.056 692 H ARG 93 HN ARG 93 -8.623 -11.195 -3.390 693 HA ARG 93 HA ARG 93 -6.192 -9.988 -4.563 694 1HB ARG 93 HB2 ARG 93 -6.028 -12.006 -3.102 695 2HB ARG 93 HB1 ARG 93 -6.967 -12.909 -4.292 696 1HG ARG 93 HG2 ARG 93 -4.713 -13.401 -4.831 697 2HG ARG 93 HG1 ARG 93 -5.180 -12.162 -5.997 698 1HD ARG 93 HD2 ARG 93 -4.265 -10.475 -4.251 699 2HD ARG 93 HD1 ARG 93 -3.464 -11.873 -3.535 700 HE ARG 93 HE ARG 93 -3.007 -11.583 -6.414 701 1HH1 ARG 93 HH11 ARG 93 -2.011 -9.072 -5.068 702 2HH1 ARG 93 HH12 ARG 93 -0.376 -9.503 -4.690 703 1HH2 ARG 93 HH21 ARG 93 -0.892 -12.903 -5.121 704 2HH2 ARG 93 HH22 ARG 93 0.256 -11.670 -4.720 705 H GLY 94 HN GLY 94 -9.270 -11.084 -5.555 706 1HA GLY 94 HA2 GLY 94 -8.422 -11.779 -8.288 707 2HA GLY 94 HA1 GLY 94 -10.080 -11.780 -7.686 708 H ALA 95 HN ALA 95 -8.727 -8.927 -6.684 709 HA ALA 95 HA ALA 95 -9.767 -7.509 -9.101 710 1HB ALA 95 HB1 ALA 95 -10.272 -5.622 -7.566 711 2HB ALA 95 HB2 ALA 95 -9.693 -6.591 -6.211 712 3HB ALA 95 HB3 ALA 95 -11.130 -7.092 -7.102 713 H GLY 96 HN GLY 96 -7.048 -8.469 -8.741 714 1HA GLY 96 HA2 GLY 96 -4.814 -7.694 -8.722 715 2HA GLY 96 HA1 GLY 96 -5.495 -6.469 -9.790 716 H MET 97 HN MET 97 -6.267 -6.859 -6.346 717 HA MET 97 HA MET 97 -5.877 -4.060 -5.821 718 1HB MET 97 HB2 MET 97 -6.109 -6.470 -4.004 719 2HB MET 97 HB1 MET 97 -5.933 -4.828 -3.383 720 1HG MET 97 HG2 MET 97 -7.928 -4.507 -5.237 721 2HG MET 97 HG1 MET 97 -8.270 -6.124 -4.626 722 1HE MET 97 HE1 MET 97 -7.956 -2.181 -2.423 723 2HE MET 97 HE2 MET 97 -9.156 -2.308 -3.707 724 3HE MET 97 HE3 MET 97 -7.461 -2.634 -4.060 725 H VAL 98 HN VAL 98 -3.656 -4.017 -6.895 726 HA VAL 98 HA VAL 98 -1.578 -4.527 -4.811 727 HB VAL 98 HB VAL 98 -1.307 -5.024 -7.791 728 1HG1 VAL 98 1HG1 VAL 98 0.666 -4.176 -6.105 729 2HG1 VAL 98 2HG1 VAL 98 0.947 -5.213 -7.504 730 3HG1 VAL 98 3HG1 VAL 98 0.782 -5.924 -5.899 731 1HG2 VAL 98 1HG2 VAL 98 -0.656 -7.347 -6.487 732 2HG2 VAL 98 2HG2 VAL 98 -2.244 -7.006 -7.173 733 3HG2 VAL 98 3HG2 VAL 98 -1.945 -6.721 -5.459 734 H GLY 99 HN GLY 99 -0.904 -2.515 -4.227 735 1HA GLY 99 HA2 GLY 99 -0.799 -0.393 -6.290 736 2HA GLY 99 HA1 GLY 99 -0.772 -0.114 -4.552 737 H LYS 100 HN LYS 100 1.187 1.239 -5.498 738 HA LYS 100 HA LYS 100 3.604 -0.279 -4.814 739 1HB LYS 100 HB2 LYS 100 2.998 0.634 -7.610 740 2HB LYS 100 HB1 LYS 100 4.666 0.645 -7.039 741 1HG LYS 100 HG2 LYS 100 4.381 -1.756 -6.357 742 2HG LYS 100 HG1 LYS 100 2.794 -1.735 -7.128 743 1HD LYS 100 HD2 LYS 100 4.353 -2.620 -8.736 744 2HD LYS 100 HD1 LYS 100 3.939 -0.985 -9.253 745 1HE LYS 100 HE2 LYS 100 6.029 -0.166 -8.805 746 2HE LYS 100 HE1 LYS 100 6.262 -1.232 -7.419 747 1HZ LYS 100 HZ1 LYS 100 6.061 -2.689 -9.861 748 2HZ LYS 100 HZ2 LYS 100 7.283 -2.723 -8.681 749 3HZ LYS 100 HZ3 LYS 100 7.326 -1.560 -9.919 750 H ILE 101 HN ILE 101 5.277 1.095 -4.138 751 HA ILE 101 HA ILE 101 4.590 4.002 -4.096 752 HB ILE 101 HB ILE 101 5.691 2.143 -2.072 753 1HG1 ILE 101 2HG1 ILE 101 4.178 4.759 -2.111 754 2HG1 ILE 101 1HG1 ILE 101 3.588 3.166 -1.637 755 1HG2 ILE 101 1HG2 ILE 101 7.719 3.508 -2.619 756 2HG2 ILE 101 2HG2 ILE 101 7.126 3.783 -0.981 757 3HG2 ILE 101 3HG2 ILE 101 6.796 4.964 -2.248 758 1HD1 ILE 101 HD11 ILE 101 5.777 3.605 0.042 759 2HD1 ILE 101 HD12 ILE 101 4.077 3.747 0.491 760 3HD1 ILE 101 HD13 ILE 101 4.973 5.173 -0.035 761 H THR 102 HN THR 102 6.057 5.422 -4.987 762 HA THR 102 HA THR 102 8.582 4.226 -6.057 763 HB THR 102 HB THR 102 7.302 6.735 -7.134 764 HG1 THR 102 HG1 THR 102 6.650 4.036 -7.623 765 1HG2 THR 102 1HG2 THR 102 8.887 6.561 -8.735 766 2HG2 THR 102 2HG2 THR 102 8.600 4.833 -8.940 767 3HG2 THR 102 3HG2 THR 102 9.674 5.402 -7.663 768 H VAL 103 HN VAL 103 9.929 4.737 -4.300 769 HA VAL 103 HA VAL 103 10.002 7.575 -3.415 770 HB VAL 103 HB VAL 103 11.659 5.364 -2.222 771 1HG1 VAL 103 1HG1 VAL 103 10.850 8.107 -1.575 772 2HG1 VAL 103 2HG1 VAL 103 12.204 7.161 -0.956 773 3HG1 VAL 103 3HG1 VAL 103 10.602 6.982 -0.240 774 1HG2 VAL 103 1HG2 VAL 103 9.685 4.233 -1.929 775 2HG2 VAL 103 2HG2 VAL 103 8.704 5.678 -2.175 776 3HG2 VAL 103 3HG2 VAL 103 9.475 5.391 -0.615 777 H ALA 104 HN ALA 104 11.556 8.897 -4.221 778 HA ALA 104 HA ALA 104 13.613 7.855 -5.997 779 1HB ALA 104 HB1 ALA 104 14.276 10.176 -6.266 780 2HB ALA 104 HB2 ALA 104 13.365 10.645 -4.831 781 3HB ALA 104 HB3 ALA 104 12.514 10.101 -6.277 782 H GLY 105 HN GLY 105 15.643 9.844 -5.023 783 1HA GLY 105 HA2 GLY 105 16.954 8.043 -3.112 784 2HA GLY 105 HA1 GLY 105 17.664 9.492 -3.826 Start of MODEL 19 1 1H GLU 1 HT1 GLU 1 5.798 16.025 1.436 2 2H GLU 1 HT2 GLU 1 5.456 16.011 3.100 3 3H GLU 1 HT3 GLU 1 5.436 17.475 2.238 4 HA GLU 1 HA GLU 1 3.194 16.948 2.486 5 1HB GLU 1 HB2 GLU 1 2.461 16.480 0.213 6 2HB GLU 1 HB1 GLU 1 3.895 17.504 0.145 7 1HG GLU 1 HG2 GLU 1 4.622 14.692 0.217 8 2HG GLU 1 HG1 GLU 1 3.545 15.035 -1.137 9 H THR 2 HN THR 2 1.449 15.231 2.024 10 HA THR 2 HA THR 2 2.525 12.521 2.698 11 HB THR 2 HB THR 2 -0.224 13.131 3.582 12 HG1 THR 2 HG1 THR 2 0.251 14.790 4.749 13 1HG2 THR 2 1HG2 THR 2 1.062 11.057 4.115 14 2HG2 THR 2 2HG2 THR 2 0.528 11.923 5.556 15 3HG2 THR 2 3HG2 THR 2 2.207 12.041 5.027 16 H TYR 3 HN TYR 3 1.924 10.969 1.257 17 HA TYR 3 HA TYR 3 0.016 11.665 -0.871 18 1HB TYR 3 HB2 TYR 3 1.893 9.374 -0.344 19 2HB TYR 3 HB1 TYR 3 0.609 9.196 -1.540 20 HD1 TYR 3 HD1 TYR 3 3.933 10.280 -1.033 21 HD2 TYR 3 HD2 TYR 3 0.362 11.241 -3.219 22 HE1 TYR 3 HE1 TYR 3 5.282 11.557 -2.676 23 HE2 TYR 3 HE2 TYR 3 1.712 12.518 -4.862 24 HH TYR 3 HH TYR 3 5.262 12.688 -4.586 25 H THR 4 HN THR 4 -1.683 9.919 -1.438 26 HA THR 4 HA THR 4 -2.658 8.303 0.798 27 HB THR 4 HB THR 4 -4.166 10.774 -0.101 28 HG1 THR 4 HG1 THR 4 -3.594 11.521 1.776 29 1HG2 THR 4 1HG2 THR 4 -5.180 8.234 0.714 30 2HG2 THR 4 2HG2 THR 4 -6.080 9.719 0.410 31 3HG2 THR 4 3HG2 THR 4 -5.463 9.378 2.026 32 H VAL 5 HN VAL 5 -3.437 6.496 -0.171 33 HA VAL 5 HA VAL 5 -4.499 6.741 -2.953 34 HB VAL 5 HB VAL 5 -3.957 4.065 -1.761 35 1HG1 VAL 5 1HG1 VAL 5 -2.759 4.625 -4.319 36 2HG1 VAL 5 2HG1 VAL 5 -4.423 5.210 -4.310 37 3HG1 VAL 5 3HG1 VAL 5 -4.080 3.521 -3.939 38 1HG2 VAL 5 1HG2 VAL 5 -1.854 6.146 -2.321 39 2HG2 VAL 5 2HG2 VAL 5 -1.505 4.437 -2.583 40 3HG2 VAL 5 3HG2 VAL 5 -1.955 5.010 -0.976 41 H LYS 6 HN LYS 6 -5.827 4.166 -2.810 42 HA LYS 6 HA LYS 6 -7.709 4.067 -0.650 43 1HB LYS 6 HB2 LYS 6 -8.423 6.224 -1.746 44 2HB LYS 6 HB1 LYS 6 -8.805 5.295 -3.196 45 1HG LYS 6 HG2 LYS 6 -10.202 3.809 -1.540 46 2HG LYS 6 HG1 LYS 6 -10.144 5.238 -0.508 47 1HD LYS 6 HD2 LYS 6 -11.288 6.571 -2.088 48 2HD LYS 6 HD1 LYS 6 -10.969 5.439 -3.403 49 1HE LYS 6 HE2 LYS 6 -12.853 4.293 -2.951 50 2HE LYS 6 HE1 LYS 6 -12.386 4.109 -1.260 51 1HZ LYS 6 HZ1 LYS 6 -14.043 5.499 -0.813 52 2HZ LYS 6 HZ2 LYS 6 -14.243 5.932 -2.443 53 3HZ LYS 6 HZ3 LYS 6 -13.093 6.734 -1.483 54 H LEU 7 HN LEU 7 -8.485 2.008 -0.694 55 HA LEU 7 HA LEU 7 -8.291 0.523 -3.263 56 1HB LEU 7 HB2 LEU 7 -8.937 -1.372 -1.408 57 2HB LEU 7 HB1 LEU 7 -7.284 -0.952 -1.845 58 HG LEU 7 HG LEU 7 -8.753 0.520 0.340 59 1HD1 LEU 7 HD11 LEU 7 -8.265 -2.210 0.411 60 2HD1 LEU 7 HD12 LEU 7 -8.473 -1.168 1.819 61 3HD1 LEU 7 HD13 LEU 7 -6.854 -1.525 1.218 62 1HD2 LEU 7 HD21 LEU 7 -6.598 1.243 0.977 63 2HD2 LEU 7 HD22 LEU 7 -6.515 1.262 -0.785 64 3HD2 LEU 7 HD23 LEU 7 -5.805 -0.076 0.117 65 H GLY 8 HN GLY 8 -10.231 1.149 -4.265 66 1HA GLY 8 HA2 GLY 8 -12.527 -0.266 -4.080 67 2HA GLY 8 HA1 GLY 8 -12.760 0.897 -2.778 68 H SER 9 HN SER 9 -11.859 0.810 -6.243 69 HA SER 9 HA SER 9 -12.220 3.492 -6.893 70 1HB SER 9 HB2 SER 9 -13.285 2.458 -9.093 71 2HB SER 9 HB1 SER 9 -11.578 2.229 -8.729 72 HG SER 9 HG SER 9 -13.600 0.439 -7.875 73 H ASP 10 HN ASP 10 -14.059 4.756 -7.521 74 HA ASP 10 HA ASP 10 -16.525 3.956 -6.115 75 1HB ASP 10 HB2 ASP 10 -17.229 6.226 -6.397 76 2HB ASP 10 HB1 ASP 10 -15.510 6.296 -6.011 77 H LYS 11 HN LYS 11 -15.851 2.429 -8.474 78 HA LYS 11 HA LYS 11 -18.117 3.236 -10.253 79 1HB LYS 11 HB2 LYS 11 -15.472 1.939 -10.958 80 2HB LYS 11 HB1 LYS 11 -16.841 2.004 -12.069 81 1HG LYS 11 HG2 LYS 11 -16.633 4.619 -11.152 82 2HG LYS 11 HG1 LYS 11 -14.952 4.110 -11.327 83 1HD LYS 11 HD2 LYS 11 -16.447 3.150 -13.583 84 2HD LYS 11 HD1 LYS 11 -16.756 4.875 -13.387 85 1HE LYS 11 HE2 LYS 11 -13.933 4.041 -13.050 86 2HE LYS 11 HE1 LYS 11 -14.583 3.888 -14.683 87 1HZ LYS 11 HZ1 LYS 11 -14.778 6.101 -14.909 88 2HZ LYS 11 HZ2 LYS 11 -13.593 6.151 -13.692 89 3HZ LYS 11 HZ3 LYS 11 -15.232 6.349 -13.293 90 H GLY 12 HN GLY 12 -16.458 0.658 -8.547 91 1HA GLY 12 HA2 GLY 12 -18.309 -1.025 -7.761 92 2HA GLY 12 HA1 GLY 12 -18.498 -1.295 -9.494 93 H LEU 13 HN LEU 13 -15.540 -0.820 -7.546 94 HA LEU 13 HA LEU 13 -14.759 -3.616 -7.787 95 1HB LEU 13 HB2 LEU 13 -13.984 -1.697 -9.854 96 2HB LEU 13 HB1 LEU 13 -12.591 -2.461 -9.089 97 HG LEU 13 HG LEU 13 -14.964 -4.065 -10.049 98 1HD1 LEU 13 HD11 LEU 13 -14.263 -3.124 -12.076 99 2HD1 LEU 13 HD12 LEU 13 -13.281 -4.587 -11.989 100 3HD1 LEU 13 HD13 LEU 13 -12.580 -3.026 -11.561 101 1HD2 LEU 13 HD21 LEU 13 -12.302 -4.583 -8.874 102 2HD2 LEU 13 HD22 LEU 13 -12.706 -5.600 -10.256 103 3HD2 LEU 13 HD23 LEU 13 -13.757 -5.577 -8.841 104 H LEU 14 HN LEU 14 -12.350 -3.815 -7.044 105 HA LEU 14 HA LEU 14 -11.841 -1.717 -4.975 106 1HB LEU 14 HB2 LEU 14 -11.318 -4.700 -4.864 107 2HB LEU 14 HB1 LEU 14 -10.802 -3.551 -3.632 108 HG LEU 14 HG LEU 14 -13.669 -4.020 -4.493 109 1HD1 LEU 14 HD11 LEU 14 -13.749 -4.799 -2.007 110 2HD1 LEU 14 HD12 LEU 14 -12.001 -4.972 -2.168 111 3HD1 LEU 14 HD13 LEU 14 -13.079 -5.904 -3.206 112 1HD2 LEU 14 HD21 LEU 14 -14.066 -2.025 -3.518 113 2HD2 LEU 14 HD22 LEU 14 -12.360 -1.855 -3.103 114 3HD2 LEU 14 HD23 LEU 14 -13.458 -2.684 -1.999 115 H VAL 15 HN VAL 15 -10.301 -0.505 -6.111 116 HA VAL 15 HA VAL 15 -7.709 -1.891 -6.582 117 HB VAL 15 HB VAL 15 -7.412 -0.696 -8.722 118 1HG1 VAL 15 1HG1 VAL 15 -8.207 -2.753 -9.322 119 2HG1 VAL 15 2HG1 VAL 15 -9.616 -1.819 -9.824 120 3HG1 VAL 15 3HG1 VAL 15 -9.611 -2.635 -8.262 121 1HG2 VAL 15 1HG2 VAL 15 -9.091 1.139 -7.944 122 2HG2 VAL 15 2HG2 VAL 15 -10.325 0.067 -8.607 123 3HG2 VAL 15 3HG2 VAL 15 -9.057 0.706 -9.653 124 H PHE 16 HN PHE 16 -5.872 -0.408 -6.474 125 HA PHE 16 HA PHE 16 -6.161 1.661 -4.516 126 1HB PHE 16 HB2 PHE 16 -3.945 0.961 -6.451 127 2HB PHE 16 HB1 PHE 16 -3.815 2.328 -5.349 128 HD1 PHE 16 HD1 PHE 16 -4.088 -1.352 -5.588 129 HD2 PHE 16 HD2 PHE 16 -3.576 2.007 -2.956 130 HE1 PHE 16 HE1 PHE 16 -3.427 -2.887 -3.756 131 HE2 PHE 16 HE2 PHE 16 -2.916 0.470 -1.125 132 HZ PHE 16 HZ PHE 16 -2.842 -1.977 -1.524 133 H GLU 17 HN GLU 17 -5.734 4.000 -4.885 134 HA GLU 17 HA GLU 17 -6.500 4.903 -7.622 135 1HB GLU 17 HB2 GLU 17 -7.826 5.489 -5.010 136 2HB GLU 17 HB1 GLU 17 -7.750 6.780 -6.211 137 1HG GLU 17 HG2 GLU 17 -8.493 4.331 -7.519 138 2HG GLU 17 HG1 GLU 17 -9.557 4.591 -6.136 139 HA PRO 18 HA PRO 18 -5.568 5.555 -9.018 140 1HB PRO 18 HB2 PRO 18 -3.123 5.732 -10.252 141 2HB PRO 18 HB1 PRO 18 -4.302 7.051 -10.225 142 1HG PRO 18 HG2 PRO 18 -1.763 6.759 -8.697 143 2HG PRO 18 HG1 PRO 18 -2.620 8.232 -9.178 144 1HD PRO 18 HD2 PRO 18 -2.645 7.065 -6.606 145 2HD PRO 18 HD1 PRO 18 -3.745 8.330 -7.190 146 H ALA 19 HN ALA 19 -3.829 3.897 -10.413 147 HA ALA 19 HA ALA 19 -3.741 1.560 -8.717 148 1HB ALA 19 HB1 ALA 19 -2.478 0.605 -10.769 149 2HB ALA 19 HB2 ALA 19 -2.836 2.154 -11.531 150 3HB ALA 19 HB3 ALA 19 -4.152 1.109 -10.998 151 H LYS 20 HN LYS 20 -1.331 3.857 -9.905 152 HA LYS 20 HA LYS 20 0.699 2.454 -8.211 153 1HB LYS 20 HB2 LYS 20 2.399 3.538 -9.693 154 2HB LYS 20 HB1 LYS 20 1.342 2.427 -10.564 155 1HG LYS 20 HG2 LYS 20 0.020 4.911 -10.619 156 2HG LYS 20 HG1 LYS 20 1.712 5.272 -10.959 157 1HD LYS 20 HD2 LYS 20 1.552 3.216 -12.576 158 2HD LYS 20 HD1 LYS 20 -0.185 3.508 -12.484 159 1HE LYS 20 HE2 LYS 20 1.973 5.329 -13.536 160 2HE LYS 20 HE1 LYS 20 0.485 4.811 -14.328 161 1HZ LYS 20 HZ1 LYS 20 0.738 6.672 -12.033 162 2HZ LYS 20 HZ2 LYS 20 -0.743 6.054 -12.590 163 3HZ LYS 20 HZ3 LYS 20 0.202 7.043 -13.598 164 H LEU 21 HN LEU 21 2.403 4.049 -7.355 165 HA LEU 21 HA LEU 21 1.379 6.790 -6.942 166 1HB LEU 21 HB2 LEU 21 0.500 5.113 -5.128 167 2HB LEU 21 HB1 LEU 21 2.149 5.208 -4.504 168 HG LEU 21 HG LEU 21 1.714 7.827 -4.825 169 1HD1 LEU 21 HD11 LEU 21 -1.010 6.549 -4.564 170 2HD1 LEU 21 HD12 LEU 21 -0.486 7.784 -5.709 171 3HD1 LEU 21 HD13 LEU 21 -0.705 8.195 -4.007 172 1HD2 LEU 21 HD21 LEU 21 2.079 7.624 -2.611 173 2HD2 LEU 21 HD22 LEU 21 1.565 5.937 -2.657 174 3HD2 LEU 21 HD23 LEU 21 0.377 7.214 -2.393 175 H THR 22 HN THR 22 3.047 8.247 -6.344 176 HA THR 22 HA THR 22 5.792 7.056 -6.412 177 HB THR 22 HB THR 22 4.977 9.857 -7.243 178 HG1 THR 22 HG1 THR 22 5.123 9.076 -9.329 179 1HG2 THR 22 1HG2 THR 22 7.530 8.252 -7.376 180 2HG2 THR 22 2HG2 THR 22 7.276 9.842 -6.655 181 3HG2 THR 22 3HG2 THR 22 7.257 9.655 -8.409 182 H ILE 23 HN ILE 23 6.261 6.922 -4.227 183 HA ILE 23 HA ILE 23 5.756 9.308 -2.552 184 HB ILE 23 HB ILE 23 6.370 7.784 -0.660 185 1HG1 ILE 23 2HG1 ILE 23 6.079 5.402 -2.384 186 2HG1 ILE 23 1HG1 ILE 23 7.582 6.295 -2.614 187 1HG2 ILE 23 1HG2 ILE 23 4.322 6.209 -2.057 188 2HG2 ILE 23 2HG2 ILE 23 4.028 7.948 -2.101 189 3HG2 ILE 23 3HG2 ILE 23 4.206 7.121 -0.552 190 1HD1 ILE 23 HD11 ILE 23 6.653 5.714 0.177 191 2HD1 ILE 23 HD12 ILE 23 8.295 5.929 -0.431 192 3HD1 ILE 23 HD13 ILE 23 7.425 4.429 -0.753 193 H LYS 24 HN LYS 24 7.638 9.506 -0.795 194 HA LYS 24 HA LYS 24 10.116 9.858 -2.378 195 1HB LYS 24 HB2 LYS 24 9.888 10.801 0.456 196 2HB LYS 24 HB1 LYS 24 10.703 11.556 -0.908 197 1HG LYS 24 HG2 LYS 24 7.735 11.339 -1.080 198 2HG LYS 24 HG1 LYS 24 8.395 12.506 0.057 199 1HD LYS 24 HD2 LYS 24 9.502 12.396 -2.727 200 2HD LYS 24 HD1 LYS 24 7.970 13.220 -2.437 201 1HE LYS 24 HE2 LYS 24 10.165 13.849 -0.538 202 2HE LYS 24 HE1 LYS 24 10.369 14.448 -2.184 203 1HZ LYS 24 HZ1 LYS 24 7.904 15.177 -1.855 204 2HZ LYS 24 HZ2 LYS 24 9.170 16.133 -1.245 205 3HZ LYS 24 HZ3 LYS 24 8.302 15.105 -0.208 206 HA PRO 25 HA PRO 25 12.295 6.767 -0.118 207 1HB PRO 25 HB2 PRO 25 14.535 7.977 0.909 208 2HB PRO 25 HB1 PRO 25 14.312 7.629 -0.814 209 1HG PRO 25 HG2 PRO 25 14.182 10.243 0.597 210 2HG PRO 25 HG1 PRO 25 14.521 9.905 -1.108 211 1HD PRO 25 HD2 PRO 25 12.059 10.817 -0.011 212 2HD PRO 25 HD1 PRO 25 12.336 10.277 -1.682 213 H GLY 26 HN GLY 26 10.361 6.971 1.536 214 1HA GLY 26 HA2 GLY 26 10.324 6.252 3.901 215 2HA GLY 26 HA1 GLY 26 11.579 7.447 4.227 216 H ASP 27 HN ASP 27 8.486 7.680 2.464 217 HA ASP 27 HA ASP 27 7.803 9.981 4.240 218 1HB ASP 27 HB2 ASP 27 7.299 9.386 1.362 219 2HB ASP 27 HB1 ASP 27 6.036 10.253 2.234 220 H THR 28 HN THR 28 5.034 10.029 3.753 221 HA THR 28 HA THR 28 4.231 7.443 4.976 222 HB THR 28 HB THR 28 3.023 10.195 5.360 223 HG1 THR 28 HG1 THR 28 4.786 10.170 6.582 224 1HG2 THR 28 1HG2 THR 28 1.702 9.036 7.141 225 2HG2 THR 28 2HG2 THR 28 2.342 7.498 6.562 226 3HG2 THR 28 3HG2 THR 28 1.313 8.475 5.515 227 H VAL 29 HN VAL 29 2.333 6.470 4.257 228 HA VAL 29 HA VAL 29 1.005 7.713 1.907 229 HB VAL 29 HB VAL 29 1.268 4.733 2.148 230 1HG1 VAL 29 1HG1 VAL 29 1.248 4.953 -0.346 231 2HG1 VAL 29 2HG1 VAL 29 1.094 6.699 -0.155 232 3HG1 VAL 29 3HG1 VAL 29 -0.190 5.633 0.415 233 1HG2 VAL 29 1HG2 VAL 29 3.362 4.905 0.769 234 2HG2 VAL 29 2HG2 VAL 29 3.560 5.495 2.419 235 3HG2 VAL 29 3HG2 VAL 29 3.377 6.638 1.089 236 H GLU 30 HN GLU 30 -1.138 8.006 2.367 237 HA GLU 30 HA GLU 30 -2.276 6.465 4.615 238 1HB GLU 30 HB2 GLU 30 -3.429 8.866 3.181 239 2HB GLU 30 HB1 GLU 30 -3.996 8.174 4.701 240 1HG GLU 30 HG2 GLU 30 -2.088 8.888 5.881 241 2HG GLU 30 HG1 GLU 30 -1.146 9.107 4.406 242 H PHE 31 HN PHE 31 -3.074 4.539 3.845 243 HA PHE 31 HA PHE 31 -4.657 4.535 1.332 244 1HB PHE 31 HB2 PHE 31 -4.409 2.057 2.963 245 2HB PHE 31 HB1 PHE 31 -4.265 2.269 1.220 246 HD1 PHE 31 HD1 PHE 31 -2.488 1.940 4.337 247 HD2 PHE 31 HD2 PHE 31 -2.135 3.387 0.306 248 HE1 PHE 31 HE1 PHE 31 -0.020 1.914 4.543 249 HE2 PHE 31 HE2 PHE 31 0.335 3.361 0.517 250 HZ PHE 31 HZ PHE 31 1.392 2.624 2.634 251 H LEU 32 HN LEU 32 -6.916 3.805 1.386 252 HA LEU 32 HA LEU 32 -8.114 3.658 4.088 253 1HB LEU 32 HB2 LEU 32 -9.987 5.197 3.032 254 2HB LEU 32 HB1 LEU 32 -8.546 5.906 3.761 255 HG LEU 32 HG LEU 32 -8.583 5.184 0.838 256 1HD1 LEU 32 HD11 LEU 32 -9.868 7.512 2.218 257 2HD1 LEU 32 HD12 LEU 32 -10.385 6.644 0.772 258 3HD1 LEU 32 HD13 LEU 32 -9.051 7.794 0.681 259 1HD2 LEU 32 HD21 LEU 32 -6.880 6.683 2.744 260 2HD2 LEU 32 HD22 LEU 32 -7.089 7.440 1.165 261 3HD2 LEU 32 HD23 LEU 32 -6.429 5.809 1.280 262 H ASN 33 HN ASN 33 -10.502 3.056 3.928 263 HA ASN 33 HA ASN 33 -10.783 0.916 1.884 264 1HB ASN 33 HB2 ASN 33 -12.166 -0.188 3.393 265 2HB ASN 33 HB1 ASN 33 -11.115 0.683 4.499 266 1HD2 ASN 33 HD21 ASN 33 -13.723 -0.147 5.244 267 2HD2 ASN 33 HD22 ASN 33 -14.652 1.240 5.509 268 H ASN 34 HN ASN 34 -12.948 0.696 0.806 269 HA ASN 34 HA ASN 34 -14.167 3.398 0.400 270 1HB ASN 34 HB2 ASN 34 -13.119 2.354 -1.615 271 2HB ASN 34 HB1 ASN 34 -14.265 1.021 -1.480 272 1HD2 ASN 34 HD21 ASN 34 -15.099 1.763 -3.657 273 2HD2 ASN 34 HD22 ASN 34 -16.182 3.067 -3.714 274 H LYS 35 HN LYS 35 -15.455 0.153 -0.353 275 HA LYS 35 HA LYS 35 -17.500 0.466 1.746 276 1HB LYS 35 HB2 LYS 35 -18.243 1.679 -0.421 277 2HB LYS 35 HB1 LYS 35 -18.434 0.058 -1.091 278 1HG LYS 35 HG2 LYS 35 -20.445 -0.081 -0.092 279 2HG LYS 35 HG1 LYS 35 -19.639 0.015 1.474 280 1HD LYS 35 HD2 LYS 35 -19.807 2.413 1.506 281 2HD LYS 35 HD1 LYS 35 -20.344 2.455 -0.174 282 1HE LYS 35 HE2 LYS 35 -22.366 1.121 0.516 283 2HE LYS 35 HE1 LYS 35 -21.857 1.318 2.194 284 1HZ LYS 35 HZ1 LYS 35 -23.460 3.023 0.935 285 2HZ LYS 35 HZ2 LYS 35 -21.958 3.745 0.605 286 3HZ LYS 35 HZ3 LYS 35 -22.439 3.474 2.212 287 H VAL 36 HN VAL 36 -15.378 -1.447 1.234 288 HA VAL 36 HA VAL 36 -17.003 -3.882 1.400 289 HB VAL 36 HB VAL 36 -14.781 -4.071 -0.586 290 1HG1 VAL 36 1HG1 VAL 36 -17.442 -5.377 -0.046 291 2HG1 VAL 36 2HG1 VAL 36 -15.845 -6.120 -0.129 292 3HG1 VAL 36 3HG1 VAL 36 -16.643 -5.579 -1.605 293 1HG2 VAL 36 1HG2 VAL 36 -16.094 -2.026 -1.237 294 2HG2 VAL 36 2HG2 VAL 36 -17.540 -3.032 -1.307 295 3HG2 VAL 36 3HG2 VAL 36 -16.204 -3.333 -2.417 296 HA PRO 37 HA PRO 37 -12.937 -3.713 3.745 297 1HB PRO 37 HB2 PRO 37 -14.007 -3.256 6.235 298 2HB PRO 37 HB1 PRO 37 -13.483 -1.963 5.145 299 1HG PRO 37 HG2 PRO 37 -16.248 -2.849 5.826 300 2HG PRO 37 HG1 PRO 37 -15.677 -1.255 5.308 301 1HD PRO 37 HD2 PRO 37 -16.990 -3.147 3.672 302 2HD PRO 37 HD1 PRO 37 -16.104 -1.714 3.113 303 HA PRO 38 HA PRO 38 -12.271 -3.851 6.037 304 1HB PRO 38 HB2 PRO 38 -10.589 -5.530 7.397 305 2HB PRO 38 HB1 PRO 38 -12.098 -4.910 8.087 306 1HG PRO 38 HG2 PRO 38 -11.480 -7.650 7.125 307 2HG PRO 38 HG1 PRO 38 -12.716 -7.119 8.276 308 1HD PRO 38 HD2 PRO 38 -13.107 -7.785 5.517 309 2HD PRO 38 HD1 PRO 38 -14.310 -7.111 6.638 310 H HIS 39 HN HIS 39 -9.943 -3.487 5.554 311 HA HIS 39 HA HIS 39 -8.936 -5.308 3.409 312 1HB HIS 39 HB2 HIS 39 -8.715 -2.290 3.593 313 2HB HIS 39 HB1 HIS 39 -7.845 -3.272 2.418 314 HD2 HIS 39 HD2 HIS 39 -11.615 -2.356 3.246 315 HE1 HIS 39 HE1 HIS 39 -11.409 -3.861 -0.689 316 HE2 HIS 39 HE2 HIS 39 -12.941 -2.901 1.078 317 H ASN 40 HN ASN 40 -6.773 -5.890 3.520 318 HA ASN 40 HA ASN 40 -5.251 -4.818 5.864 319 1HB ASN 40 HB2 ASN 40 -5.695 -7.553 4.877 320 2HB ASN 40 HB1 ASN 40 -3.997 -7.179 5.173 321 1HD2 ASN 40 HD21 ASN 40 -3.580 -8.091 7.210 322 2HD2 ASN 40 HD22 ASN 40 -4.510 -7.797 8.599 323 H VAL 41 HN VAL 41 -3.266 -3.908 5.407 324 HA VAL 41 HA VAL 41 -2.488 -3.844 2.536 325 HB VAL 41 HB VAL 41 -1.860 -2.069 4.899 326 1HG1 VAL 41 1HG1 VAL 41 -0.518 -2.239 2.201 327 2HG1 VAL 41 2HG1 VAL 41 0.232 -2.153 3.795 328 3HG1 VAL 41 3HG1 VAL 41 -0.560 -0.731 3.115 329 1HG2 VAL 41 1HG2 VAL 41 -2.667 -0.461 2.890 330 2HG2 VAL 41 2HG2 VAL 41 -3.802 -1.232 3.999 331 3HG2 VAL 41 3HG2 VAL 41 -3.496 -1.943 2.414 332 H VAL 42 HN VAL 42 -0.583 -4.736 1.839 333 HA VAL 42 HA VAL 42 1.515 -5.441 3.798 334 HB VAL 42 HB VAL 42 0.524 -7.583 1.922 335 1HG1 VAL 42 1HG1 VAL 42 2.647 -8.077 2.870 336 2HG1 VAL 42 2HG1 VAL 42 1.493 -8.978 3.854 337 3HG1 VAL 42 3HG1 VAL 42 2.170 -7.464 4.453 338 1HG2 VAL 42 1HG2 VAL 42 -0.531 -6.853 4.663 339 2HG2 VAL 42 2HG2 VAL 42 -0.712 -8.471 3.983 340 3HG2 VAL 42 3HG2 VAL 42 -1.449 -7.087 3.175 341 H PHE 43 HN PHE 43 3.457 -6.424 2.529 342 HA PHE 43 HA PHE 43 3.542 -5.401 -0.268 343 1HB PHE 43 HB2 PHE 43 5.790 -4.880 1.686 344 2HB PHE 43 HB1 PHE 43 5.550 -4.172 0.089 345 HD1 PHE 43 HD1 PHE 43 4.616 -2.043 -0.043 346 HD2 PHE 43 HD2 PHE 43 3.767 -4.501 3.375 347 HE1 PHE 43 HE1 PHE 43 3.340 -0.180 0.982 348 HE2 PHE 43 HE2 PHE 43 2.490 -2.639 4.396 349 HZ PHE 43 HZ PHE 43 2.280 -0.484 3.203 350 H ASP 44 HN ASP 44 4.119 -7.149 -1.464 351 HA ASP 44 HA ASP 44 5.144 -9.580 -0.564 352 1HB ASP 44 HB2 ASP 44 4.379 -8.824 -2.955 353 2HB ASP 44 HB1 ASP 44 6.088 -8.457 -3.190 354 H ALA 45 HN ALA 45 7.230 -10.384 -0.163 355 HA ALA 45 HA ALA 45 9.322 -8.311 0.149 356 1HB ALA 45 HB1 ALA 45 8.562 -9.901 2.054 357 2HB ALA 45 HB2 ALA 45 10.293 -9.670 1.807 358 3HB ALA 45 HB3 ALA 45 9.501 -11.125 1.201 359 H ALA 46 HN ALA 46 8.513 -9.888 -2.381 360 HA ALA 46 HA ALA 46 11.175 -11.132 -2.922 361 1HB ALA 46 HB1 ALA 46 8.495 -11.473 -4.298 362 2HB ALA 46 HB2 ALA 46 9.334 -12.667 -3.308 363 3HB ALA 46 HB3 ALA 46 9.998 -12.196 -4.872 364 H LEU 47 HN LEU 47 8.770 -8.858 -4.217 365 HA LEU 47 HA LEU 47 10.588 -8.084 -6.402 366 1HB LEU 47 HB2 LEU 47 7.811 -7.256 -5.564 367 2HB LEU 47 HB1 LEU 47 8.703 -6.351 -6.788 368 HG LEU 47 HG LEU 47 9.010 -8.457 -8.080 369 1HD1 LEU 47 HD11 LEU 47 7.336 -10.317 -7.317 370 2HD1 LEU 47 HD12 LEU 47 7.462 -9.542 -5.738 371 3HD1 LEU 47 HD13 LEU 47 8.902 -10.200 -6.515 372 1HD2 LEU 47 HD21 LEU 47 6.752 -6.864 -7.877 373 2HD2 LEU 47 HD22 LEU 47 6.097 -8.495 -7.734 374 3HD2 LEU 47 HD23 LEU 47 7.052 -8.049 -9.147 375 H ASN 48 HN ASN 48 12.004 -7.593 -4.212 376 HA ASN 48 HA ASN 48 11.560 -4.737 -3.484 377 1HB ASN 48 HB2 ASN 48 13.586 -5.427 -1.873 378 2HB ASN 48 HB1 ASN 48 11.910 -5.774 -1.453 379 1HD2 ASN 48 HD21 ASN 48 12.842 -7.632 -0.166 380 2HD2 ASN 48 HD22 ASN 48 13.234 -9.072 -0.974 381 HA PRO 49 HA PRO 49 15.042 -3.414 -5.781 382 1HB PRO 49 HB2 PRO 49 16.074 -1.472 -4.130 383 2HB PRO 49 HB1 PRO 49 14.585 -1.274 -5.070 384 1HG PRO 49 HG2 PRO 49 14.908 -1.739 -2.143 385 2HG PRO 49 HG1 PRO 49 13.587 -0.942 -3.012 386 1HD PRO 49 HD2 PRO 49 13.546 -3.579 -1.986 387 2HD PRO 49 HD1 PRO 49 12.376 -2.884 -3.128 388 H ALA 50 HN ALA 50 15.730 -4.258 -2.397 389 HA ALA 50 HA ALA 50 18.450 -5.117 -3.291 390 1HB ALA 50 HB1 ALA 50 19.334 -3.778 -1.712 391 2HB ALA 50 HB2 ALA 50 18.475 -4.705 -0.482 392 3HB ALA 50 HB3 ALA 50 17.720 -3.283 -1.202 393 H LYS 51 HN LYS 51 15.939 -6.630 -3.183 394 HA LYS 51 HA LYS 51 15.047 -8.613 -2.238 395 1HB LYS 51 HB2 LYS 51 17.880 -9.533 -1.943 396 2HB LYS 51 HB1 LYS 51 16.491 -10.386 -2.615 397 1HG LYS 51 HG2 LYS 51 17.831 -8.004 -3.925 398 2HG LYS 51 HG1 LYS 51 18.136 -9.685 -4.363 399 1HD LYS 51 HD2 LYS 51 15.901 -10.002 -5.122 400 2HD LYS 51 HD1 LYS 51 15.353 -8.505 -4.366 401 1HE LYS 51 HE2 LYS 51 17.561 -8.213 -6.321 402 2HE LYS 51 HE1 LYS 51 16.005 -8.696 -6.997 403 1HZ LYS 51 HZ1 LYS 51 15.311 -6.621 -6.785 404 2HZ LYS 51 HZ2 LYS 51 16.807 -6.159 -6.127 405 3HZ LYS 51 HZ3 LYS 51 15.554 -6.685 -5.107 406 H SER 52 HN SER 52 15.691 -6.520 -0.251 407 HA SER 52 HA SER 52 16.612 -8.168 2.052 408 1HB SER 52 HB2 SER 52 16.302 -5.190 1.643 409 2HB SER 52 HB1 SER 52 16.576 -5.895 3.233 410 HG SER 52 HG SER 52 18.596 -5.978 2.696 411 H ALA 53 HN ALA 53 15.105 -8.980 3.419 412 HA ALA 53 HA ALA 53 12.325 -7.929 3.236 413 1HB ALA 53 HB1 ALA 53 11.796 -10.118 3.292 414 2HB ALA 53 HB2 ALA 53 12.420 -10.185 4.940 415 3HB ALA 53 HB3 ALA 53 13.481 -10.552 3.580 416 H ASP 54 HN ASP 54 12.354 -6.137 4.616 417 HA ASP 54 HA ASP 54 12.351 -6.708 7.465 418 1HB ASP 54 HB2 ASP 54 14.174 -5.209 8.086 419 2HB ASP 54 HB1 ASP 54 14.795 -6.453 6.999 420 H LEU 55 HN LEU 55 12.569 -4.127 5.005 421 HA LEU 55 HA LEU 55 11.166 -2.184 6.603 422 1HB LEU 55 HB2 LEU 55 11.245 -0.796 4.711 423 2HB LEU 55 HB1 LEU 55 12.643 -1.842 4.474 424 HG LEU 55 HG LEU 55 10.637 -3.304 3.288 425 1HD1 LEU 55 HD11 LEU 55 9.896 -0.441 3.308 426 2HD1 LEU 55 HD12 LEU 55 8.884 -1.863 3.060 427 3HD1 LEU 55 HD13 LEU 55 9.836 -1.214 1.725 428 1HD2 LEU 55 HD21 LEU 55 12.804 -1.479 2.383 429 2HD2 LEU 55 HD22 LEU 55 11.612 -1.936 1.165 430 3HD2 LEU 55 HD23 LEU 55 12.536 -3.181 2.005 431 H ALA 56 HN ALA 56 10.132 -4.949 4.873 432 HA ALA 56 HA ALA 56 7.412 -3.967 4.377 433 1HB ALA 56 HB1 ALA 56 8.941 -6.007 3.309 434 2HB ALA 56 HB2 ALA 56 7.203 -5.814 3.080 435 3HB ALA 56 HB3 ALA 56 7.812 -6.876 4.349 436 H LYS 57 HN LYS 57 8.899 -6.400 6.544 437 HA LYS 57 HA LYS 57 6.649 -7.225 7.957 438 1HB LYS 57 HB2 LYS 57 9.524 -7.015 8.534 439 2HB LYS 57 HB1 LYS 57 8.510 -6.950 9.976 440 1HG LYS 57 HG2 LYS 57 7.348 -8.976 8.472 441 2HG LYS 57 HG1 LYS 57 9.076 -9.211 8.207 442 1HD LYS 57 HD2 LYS 57 8.252 -8.642 11.003 443 2HD LYS 57 HD1 LYS 57 7.773 -10.211 10.356 444 1HE LYS 57 HE2 LYS 57 10.449 -9.799 9.533 445 2HE LYS 57 HE1 LYS 57 10.378 -9.349 11.238 446 1HZ LYS 57 HZ1 LYS 57 10.389 -11.911 10.141 447 2HZ LYS 57 HZ2 LYS 57 8.859 -11.676 10.843 448 3HZ LYS 57 HZ3 LYS 57 10.264 -11.476 11.777 449 H SER 58 HN SER 58 8.149 -4.077 7.997 450 HA SER 58 HA SER 58 6.424 -3.296 10.305 451 1HB SER 58 HB2 SER 58 8.882 -2.809 10.453 452 2HB SER 58 HB1 SER 58 8.711 -1.747 9.058 453 HG SER 58 HG SER 58 8.512 -0.845 11.311 454 H LEU 59 HN LEU 59 6.408 -3.269 6.971 455 HA LEU 59 HA LEU 59 5.068 -0.627 6.739 456 1HB LEU 59 HB2 LEU 59 6.773 -1.850 5.044 457 2HB LEU 59 HB1 LEU 59 5.267 -2.502 4.423 458 HG LEU 59 HG LEU 59 5.304 -0.597 3.159 459 1HD1 LEU 59 HD11 LEU 59 3.410 -0.298 4.820 460 2HD1 LEU 59 HD12 LEU 59 3.988 1.183 4.065 461 3HD1 LEU 59 HD13 LEU 59 4.469 0.791 5.714 462 1HD2 LEU 59 HD21 LEU 59 7.249 0.254 5.222 463 2HD2 LEU 59 HD22 LEU 59 6.391 1.558 4.402 464 3HD2 LEU 59 HD23 LEU 59 7.332 0.395 3.466 465 H SER 60 HN SER 60 4.419 -4.104 6.454 466 HA SER 60 HA SER 60 1.640 -3.716 5.646 467 1HB SER 60 HB2 SER 60 2.704 -6.259 6.841 468 2HB SER 60 HB1 SER 60 1.493 -6.052 5.580 469 HG SER 60 HG SER 60 3.915 -6.624 5.147 470 H HIS 61 HN HIS 61 -0.106 -3.524 6.961 471 HA HIS 61 HA HIS 61 0.346 -3.821 9.902 472 1HB HIS 61 HB2 HIS 61 -1.401 -2.206 10.243 473 2HB HIS 61 HB1 HIS 61 -0.358 -1.543 8.985 474 HD1 HIS 61 HD1 HIS 61 -3.552 -3.631 9.240 475 HD2 HIS 61 HD2 HIS 61 -1.732 -0.878 6.682 476 HE1 HIS 61 HE1 HIS 61 -5.212 -3.164 7.379 477 H LYS 62 HN LYS 62 -0.995 -5.253 11.023 478 HA LYS 62 HA LYS 62 -3.137 -6.570 9.406 479 1HB LYS 62 HB2 LYS 62 -1.644 -8.108 11.495 480 2HB LYS 62 HB1 LYS 62 -2.466 -8.692 10.049 481 1HG LYS 62 HG2 LYS 62 -0.682 -7.481 8.692 482 2HG LYS 62 HG1 LYS 62 0.195 -7.261 10.208 483 1HD LYS 62 HD2 LYS 62 1.039 -9.332 9.982 484 2HD LYS 62 HD1 LYS 62 -0.595 -9.982 10.118 485 1HE LYS 62 HE2 LYS 62 -0.399 -8.966 7.496 486 2HE LYS 62 HE1 LYS 62 1.109 -9.835 7.785 487 1HZ LYS 62 HZ1 LYS 62 0.029 -11.803 8.098 488 2HZ LYS 62 HZ2 LYS 62 -1.020 -11.082 6.973 489 3HZ LYS 62 HZ3 LYS 62 -1.410 -11.074 8.626 490 H GLN 63 HN GLN 63 -5.051 -6.245 10.341 491 HA GLN 63 HA GLN 63 -5.822 -6.967 12.904 492 1HB GLN 63 HB2 GLN 63 -4.193 -4.638 13.019 493 2HB GLN 63 HB1 GLN 63 -5.843 -4.141 13.394 494 1HG GLN 63 HG2 GLN 63 -6.005 -5.626 15.222 495 2HG GLN 63 HG1 GLN 63 -4.632 -6.588 14.674 496 1HE2 GLN 63 1HE2 GLN 63 -5.558 -3.652 16.395 497 2HE2 GLN 63 2HE2 GLN 63 -3.995 -3.247 16.919 498 H LEU 64 HN LEU 64 -6.786 -6.538 10.145 499 HA LEU 64 HA LEU 64 -8.701 -5.848 8.991 500 1HB LEU 64 HB2 LEU 64 -9.623 -6.384 11.792 501 2HB LEU 64 HB1 LEU 64 -10.759 -6.011 10.500 502 HG LEU 64 HG LEU 64 -9.069 -8.447 10.919 503 1HD1 LEU 64 HD11 LEU 64 -11.220 -9.350 9.738 504 2HD1 LEU 64 HD12 LEU 64 -11.871 -7.751 10.102 505 3HD1 LEU 64 HD13 LEU 64 -11.320 -8.798 11.410 506 1HD2 LEU 64 HD21 LEU 64 -9.862 -7.354 8.200 507 2HD2 LEU 64 HD22 LEU 64 -9.411 -9.035 8.483 508 3HD2 LEU 64 HD23 LEU 64 -8.235 -7.749 8.753 509 H LEU 65 HN LEU 65 -9.236 -3.831 8.248 510 HA LEU 65 HA LEU 65 -8.904 -1.520 10.022 511 1HB LEU 65 HB2 LEU 65 -10.211 -1.422 7.303 512 2HB LEU 65 HB1 LEU 65 -9.285 -0.166 8.122 513 HG LEU 65 HG LEU 65 -7.985 -2.780 7.387 514 1HD1 LEU 65 HD11 LEU 65 -8.290 -0.331 5.625 515 2HD1 LEU 65 HD12 LEU 65 -9.046 -1.894 5.345 516 3HD1 LEU 65 HD13 LEU 65 -7.293 -1.738 5.257 517 1HD2 LEU 65 HD21 LEU 65 -6.263 -0.600 7.039 518 2HD2 LEU 65 HD22 LEU 65 -6.284 -1.699 8.418 519 3HD2 LEU 65 HD23 LEU 65 -7.197 -0.190 8.477 520 H MET 66 HN MET 66 -10.659 -0.030 10.540 521 HA MET 66 HA MET 66 -13.390 -1.201 10.295 522 1HB MET 66 HB2 MET 66 -11.914 -0.441 12.799 523 2HB MET 66 HB1 MET 66 -13.668 -0.264 12.736 524 1HG MET 66 HG2 MET 66 -13.671 -2.698 11.839 525 2HG MET 66 HG1 MET 66 -12.025 -2.777 12.465 526 1HE MET 66 HE1 MET 66 -11.948 -3.040 15.872 527 2HE MET 66 HE2 MET 66 -12.136 -1.306 15.619 528 3HE MET 66 HE3 MET 66 -11.261 -2.272 14.434 529 H SER 67 HN SER 67 -11.549 1.279 9.460 530 HA SER 67 HA SER 67 -13.593 3.354 10.110 531 1HB SER 67 HB2 SER 67 -11.026 3.598 10.666 532 2HB SER 67 HB1 SER 67 -10.901 4.008 8.957 533 HG SER 67 HG SER 67 -11.639 5.570 10.929 534 HA PRO 68 HA PRO 68 -14.578 3.075 5.778 535 1HB PRO 68 HB2 PRO 68 -16.528 5.010 5.821 536 2HB PRO 68 HB1 PRO 68 -16.781 3.353 6.395 537 1HG PRO 68 HG2 PRO 68 -16.453 5.856 7.978 538 2HG PRO 68 HG1 PRO 68 -17.285 4.355 8.414 539 1HD PRO 68 HD2 PRO 68 -14.704 5.149 9.286 540 2HD PRO 68 HD1 PRO 68 -15.423 3.535 9.469 541 H GLY 69 HN GLY 69 -12.601 3.992 4.916 542 1HA GLY 69 HA2 GLY 69 -12.093 5.827 3.296 543 2HA GLY 69 HA1 GLY 69 -12.759 6.953 4.479 544 H GLN 70 HN GLN 70 -11.124 4.674 6.218 545 HA GLN 70 HA GLN 70 -8.454 5.935 5.920 546 1HB GLN 70 HB2 GLN 70 -9.959 5.793 8.555 547 2HB GLN 70 HB1 GLN 70 -8.297 6.347 8.349 548 1HG GLN 70 HG2 GLN 70 -10.536 7.631 6.795 549 2HG GLN 70 HG1 GLN 70 -10.193 8.130 8.451 550 1HE2 GLN 70 1HE2 GLN 70 -9.647 10.244 7.147 551 2HE2 GLN 70 2HE2 GLN 70 -8.044 10.399 6.613 552 H SER 71 HN SER 71 -7.181 4.146 5.616 553 HA SER 71 HA SER 71 -7.922 1.661 7.065 554 1HB SER 71 HB2 SER 71 -6.635 0.460 5.463 555 2HB SER 71 HB1 SER 71 -7.514 1.675 4.542 556 HG SER 71 HG SER 71 -4.941 1.282 4.586 557 H THR 72 HN THR 72 -4.684 2.740 6.047 558 HA THR 72 HA THR 72 -3.826 3.160 8.811 559 HB THR 72 HB THR 72 -3.069 0.673 7.274 560 HG1 THR 72 HG1 THR 72 -4.188 -0.209 8.794 561 1HG2 THR 72 1HG2 THR 72 -0.944 1.510 7.918 562 2HG2 THR 72 2HG2 THR 72 -1.381 0.364 9.185 563 3HG2 THR 72 3HG2 THR 72 -1.556 2.096 9.464 564 H SER 73 HN SER 73 -2.716 5.026 8.380 565 HA SER 73 HA SER 73 -1.196 5.354 5.899 566 1HB SER 73 HB2 SER 73 -1.054 7.160 8.317 567 2HB SER 73 HB1 SER 73 -0.792 7.579 6.626 568 HG SER 73 HG SER 73 -3.134 6.691 6.528 569 H THR 74 HN THR 74 0.186 3.426 6.349 570 HA THR 74 HA THR 74 1.988 3.281 8.543 571 HB THR 74 HB THR 74 2.826 2.318 5.836 572 HG1 THR 74 HG1 THR 74 1.350 0.548 6.186 573 1HG2 THR 74 1HG2 THR 74 3.177 0.238 7.375 574 2HG2 THR 74 2HG2 THR 74 2.959 1.388 8.693 575 3HG2 THR 74 3HG2 THR 74 4.274 1.609 7.540 576 H THR 75 HN THR 75 3.681 4.559 9.042 577 HA THR 75 HA THR 75 4.616 6.579 7.130 578 HB THR 75 HB THR 75 4.394 7.230 9.468 579 HG1 THR 75 HG1 THR 75 6.291 8.221 9.574 580 1HG2 THR 75 1HG2 THR 75 6.574 5.708 10.595 581 2HG2 THR 75 2HG2 THR 75 5.349 4.622 9.939 582 3HG2 THR 75 3HG2 THR 75 4.904 5.828 11.147 583 H PHE 76 HN PHE 76 5.631 5.291 5.513 584 HA PHE 76 HA PHE 76 7.361 3.164 5.714 585 1HB PHE 76 HB2 PHE 76 7.391 5.582 3.932 586 2HB PHE 76 HB1 PHE 76 8.682 4.389 3.806 587 HD1 PHE 76 HD1 PHE 76 4.945 4.673 3.879 588 HD2 PHE 76 HD2 PHE 76 8.363 2.450 2.522 589 HE1 PHE 76 HE1 PHE 76 3.463 3.212 2.532 590 HE2 PHE 76 HE2 PHE 76 6.880 0.989 1.177 591 HZ PHE 76 HZ PHE 76 4.430 1.373 1.181 592 HA PRO 77 HA PRO 77 10.881 4.456 8.001 593 1HB PRO 77 HB2 PRO 77 12.766 2.786 6.905 594 2HB PRO 77 HB1 PRO 77 11.515 2.246 8.035 595 1HG PRO 77 HG2 PRO 77 11.688 1.825 5.089 596 2HG PRO 77 HG1 PRO 77 10.869 0.844 6.316 597 1HD PRO 77 HD2 PRO 77 9.621 2.674 4.551 598 2HD PRO 77 HD1 PRO 77 8.880 1.935 5.987 599 H ALA 78 HN ALA 78 13.030 5.482 7.779 600 HA ALA 78 HA ALA 78 13.165 7.238 5.455 601 1HB ALA 78 HB1 ALA 78 14.663 8.470 6.687 602 2HB ALA 78 HB2 ALA 78 15.472 7.041 7.328 603 3HB ALA 78 HB3 ALA 78 13.934 7.565 8.013 604 H ASP 79 HN ASP 79 13.962 4.084 5.677 605 HA ASP 79 HA ASP 79 16.527 4.352 4.198 606 1HB ASP 79 HB2 ASP 79 16.951 2.085 4.713 607 2HB ASP 79 HB1 ASP 79 16.181 2.710 6.170 608 H ALA 80 HN ALA 80 13.211 3.980 3.633 609 HA ALA 80 HA ALA 80 12.839 2.213 1.565 610 1HB ALA 80 HB1 ALA 80 11.512 4.503 2.475 611 2HB ALA 80 HB2 ALA 80 10.921 3.357 1.272 612 3HB ALA 80 HB3 ALA 80 11.791 4.802 0.759 613 HA PRO 81 HA PRO 81 16.117 3.784 -1.136 614 1HB PRO 81 HB2 PRO 81 16.546 1.356 -2.348 615 2HB PRO 81 HB1 PRO 81 17.292 1.826 -0.810 616 1HG PRO 81 HG2 PRO 81 15.048 -0.075 -1.304 617 2HG PRO 81 HG1 PRO 81 16.208 -0.033 0.033 618 1HD PRO 81 HD2 PRO 81 13.531 0.889 0.125 619 2HD PRO 81 HD1 PRO 81 14.790 1.210 1.335 620 H ALA 82 HN ALA 82 16.336 3.178 -3.692 621 HA ALA 82 HA ALA 82 13.772 3.956 -4.863 622 1HB ALA 82 HB1 ALA 82 15.188 3.683 -7.035 623 2HB ALA 82 HB2 ALA 82 16.551 3.496 -5.931 624 3HB ALA 82 HB3 ALA 82 15.605 4.985 -5.920 625 H GLY 83 HN GLY 83 12.267 2.514 -5.548 626 1HA GLY 83 HA2 GLY 83 12.688 0.271 -7.158 627 2HA GLY 83 HA1 GLY 83 12.770 -0.332 -5.501 628 H GLU 84 HN GLU 84 10.710 -0.794 -7.613 629 HA GLU 84 HA GLU 84 8.326 0.639 -6.712 630 1HB GLU 84 HB2 GLU 84 7.138 -0.837 -8.286 631 2HB GLU 84 HB1 GLU 84 8.560 -0.129 -9.054 632 1HG GLU 84 HG2 GLU 84 9.736 -2.319 -8.122 633 2HG GLU 84 HG1 GLU 84 8.090 -2.950 -8.172 634 H TYR 85 HN TYR 85 7.491 0.131 -4.736 635 HA TYR 85 HA TYR 85 7.815 -2.587 -3.642 636 1HB TYR 85 HB2 TYR 85 6.305 -0.239 -2.457 637 2HB TYR 85 HB1 TYR 85 6.862 -1.679 -1.608 638 HD1 TYR 85 HD1 TYR 85 9.489 -1.431 -3.625 639 HD2 TYR 85 HD2 TYR 85 7.618 0.954 -0.579 640 HE1 TYR 85 HE1 TYR 85 11.656 -0.320 -3.163 641 HE2 TYR 85 HE2 TYR 85 9.788 2.065 -0.119 642 HH TYR 85 HH TYR 85 12.271 2.140 -2.093 643 H THR 86 HN THR 86 6.468 -3.946 -4.830 644 HA THR 86 HA THR 86 3.758 -3.163 -5.537 645 HB THR 86 HB THR 86 5.256 -5.786 -5.689 646 HG1 THR 86 HG1 THR 86 5.519 -5.221 -7.731 647 1HG2 THR 86 1HG2 THR 86 3.169 -6.271 -7.252 648 2HG2 THR 86 2HG2 THR 86 2.376 -5.126 -6.171 649 3HG2 THR 86 3HG2 THR 86 3.091 -6.601 -5.521 650 H PHE 87 HN PHE 87 2.351 -2.903 -3.844 651 HA PHE 87 HA PHE 87 2.339 -4.971 -1.727 652 1HB PHE 87 HB2 PHE 87 0.655 -3.202 -0.701 653 2HB PHE 87 HB1 PHE 87 2.399 -2.973 -0.563 654 HD1 PHE 87 HD1 PHE 87 3.305 -0.952 -1.258 655 HD2 PHE 87 HD2 PHE 87 -0.396 -2.298 -2.960 656 HE1 PHE 87 HE1 PHE 87 3.141 1.147 -2.554 657 HE2 PHE 87 HE2 PHE 87 -0.568 -0.202 -4.256 658 HZ PHE 87 HZ PHE 87 1.200 1.532 -4.057 659 H TYR 88 HN TYR 88 -0.106 -5.268 -0.880 660 HA TYR 88 HA TYR 88 -2.097 -5.114 -2.995 661 1HB TYR 88 HB2 TYR 88 -2.420 -7.528 -3.252 662 2HB TYR 88 HB1 TYR 88 -0.769 -7.094 -3.688 663 HD1 TYR 88 HD1 TYR 88 -2.727 -9.325 -1.794 664 HD2 TYR 88 HD2 TYR 88 0.946 -7.102 -1.647 665 HE1 TYR 88 HE1 TYR 88 -1.849 -10.887 -0.080 666 HE2 TYR 88 HE2 TYR 88 1.823 -8.664 0.067 667 HH TYR 88 HH TYR 88 -0.026 -11.526 1.064 668 H CYS 89 HN CYS 89 -3.538 -7.462 -1.794 669 HA CYS 89 HA CYS 89 -4.160 -6.295 0.887 670 1HB CYS 89 HB2 CYS 89 -5.769 -5.963 -1.279 671 2HB CYS 89 HB1 CYS 89 -6.396 -7.484 -0.646 672 H GLU 90 HN GLU 90 -5.191 -7.860 2.357 673 HA GLU 90 HA GLU 90 -4.146 -10.581 1.884 674 1HB GLU 90 HB2 GLU 90 -3.774 -9.344 4.053 675 2HB GLU 90 HB1 GLU 90 -5.495 -9.524 4.375 676 1HG GLU 90 HG2 GLU 90 -4.794 -12.086 3.686 677 2HG GLU 90 HG1 GLU 90 -3.345 -11.526 4.523 678 HA PRO 91 HA PRO 91 -8.793 -11.511 2.512 679 1HB PRO 91 HB2 PRO 91 -10.548 -9.403 2.402 680 2HB PRO 91 HB1 PRO 91 -9.801 -9.974 3.905 681 1HG PRO 91 HG2 PRO 91 -9.203 -7.521 2.330 682 2HG PRO 91 HG1 PRO 91 -8.940 -7.840 4.052 683 1HD PRO 91 HD2 PRO 91 -6.974 -7.911 2.000 684 2HD PRO 91 HD1 PRO 91 -6.772 -8.461 3.674 685 H HIS 92 HN HIS 92 -8.803 -8.517 0.527 686 HA HIS 92 HA HIS 92 -10.308 -9.831 -1.598 687 1HB HIS 92 HB2 HIS 92 -8.837 -7.195 -1.804 688 2HB HIS 92 HB1 HIS 92 -10.259 -7.718 -2.708 689 HD2 HIS 92 HD2 HIS 92 -12.725 -7.427 -1.321 690 HE1 HIS 92 HE1 HIS 92 -11.106 -5.694 2.155 691 HE2 HIS 92 HE2 HIS 92 -13.244 -6.292 0.953 692 H ARG 93 HN ARG 93 -7.216 -10.272 -0.682 693 HA ARG 93 HA ARG 93 -5.479 -9.894 -2.796 694 1HB ARG 93 HB2 ARG 93 -4.958 -11.112 -0.650 695 2HB ARG 93 HB1 ARG 93 -5.760 -12.529 -1.321 696 1HG ARG 93 HG2 ARG 93 -4.179 -12.421 -3.273 697 2HG ARG 93 HG1 ARG 93 -3.309 -11.135 -2.434 698 1HD ARG 93 HD2 ARG 93 -3.417 -12.968 -0.451 699 2HD ARG 93 HD1 ARG 93 -3.414 -14.047 -1.845 700 HE ARG 93 HE ARG 93 -1.176 -12.414 -0.942 701 1HH1 ARG 93 HH11 ARG 93 -1.490 -15.157 -2.496 702 2HH1 ARG 93 HH12 ARG 93 -0.600 -14.762 -3.928 703 1HH2 ARG 93 HH21 ARG 93 -0.552 -11.355 -3.276 704 2HH2 ARG 93 HH22 ARG 93 -0.072 -12.608 -4.372 705 H GLY 94 HN GLY 94 -5.694 -10.319 -4.940 706 1HA GLY 94 HA2 GLY 94 -5.902 -11.969 -6.736 707 2HA GLY 94 HA1 GLY 94 -7.058 -12.848 -5.735 708 H ALA 95 HN ALA 95 -7.555 -9.501 -5.576 709 HA ALA 95 HA ALA 95 -9.701 -9.703 -7.653 710 1HB ALA 95 HB1 ALA 95 -9.954 -9.216 -4.874 711 2HB ALA 95 HB2 ALA 95 -11.217 -9.097 -6.100 712 3HB ALA 95 HB3 ALA 95 -10.262 -7.676 -5.677 713 H GLY 96 HN GLY 96 -7.049 -8.788 -8.187 714 1HA GLY 96 HA2 GLY 96 -6.143 -7.028 -9.472 715 2HA GLY 96 HA1 GLY 96 -7.669 -6.164 -9.290 716 H MET 97 HN MET 97 -6.812 -7.063 -6.237 717 HA MET 97 HA MET 97 -6.087 -4.365 -5.483 718 1HB MET 97 HB2 MET 97 -6.196 -6.997 -4.006 719 2HB MET 97 HB1 MET 97 -5.607 -5.527 -3.228 720 1HG MET 97 HG2 MET 97 -8.061 -4.956 -4.630 721 2HG MET 97 HG1 MET 97 -8.301 -6.334 -3.556 722 1HE MET 97 HE1 MET 97 -7.959 -2.125 -3.188 723 2HE MET 97 HE2 MET 97 -9.486 -2.738 -2.558 724 3HE MET 97 HE3 MET 97 -8.906 -3.287 -4.128 725 H VAL 98 HN VAL 98 -4.193 -4.493 -7.167 726 HA VAL 98 HA VAL 98 -1.739 -5.212 -5.630 727 HB VAL 98 HB VAL 98 -2.126 -5.703 -8.599 728 1HG1 VAL 98 1HG1 VAL 98 0.064 -7.049 -7.203 729 2HG1 VAL 98 2HG1 VAL 98 0.202 -5.293 -7.130 730 3HG1 VAL 98 3HG1 VAL 98 0.098 -6.105 -8.692 731 1HG2 VAL 98 1HG2 VAL 98 -2.198 -7.547 -6.200 732 2HG2 VAL 98 2HG2 VAL 98 -1.902 -8.136 -7.836 733 3HG2 VAL 98 3HG2 VAL 98 -3.429 -7.345 -7.446 734 H GLY 99 HN GLY 99 -0.561 -3.373 -5.387 735 1HA GLY 99 HA2 GLY 99 -0.512 -1.434 -7.636 736 2HA GLY 99 HA1 GLY 99 -0.782 -0.862 -5.993 737 H LYS 100 HN LYS 100 1.328 0.315 -6.933 738 HA LYS 100 HA LYS 100 3.598 -1.051 -5.618 739 1HB LYS 100 HB2 LYS 100 3.799 0.015 -8.450 740 2HB LYS 100 HB1 LYS 100 5.090 -0.746 -7.520 741 1HG LYS 100 HG2 LYS 100 3.721 -2.827 -7.391 742 2HG LYS 100 HG1 LYS 100 2.513 -2.063 -8.424 743 1HD LYS 100 HD2 LYS 100 4.823 -1.633 -9.850 744 2HD LYS 100 HD1 LYS 100 5.127 -3.217 -9.136 745 1HE LYS 100 HE2 LYS 100 3.611 -4.215 -10.478 746 2HE LYS 100 HE1 LYS 100 2.398 -2.980 -10.142 747 1HZ LYS 100 HZ1 LYS 100 4.218 -3.212 -12.360 748 2HZ LYS 100 HZ2 LYS 100 4.184 -1.660 -11.672 749 3HZ LYS 100 HZ3 LYS 100 2.750 -2.370 -12.245 750 H ILE 101 HN ILE 101 5.016 0.421 -4.677 751 HA ILE 101 HA ILE 101 4.201 3.270 -4.873 752 HB ILE 101 HB ILE 101 4.978 1.618 -2.709 753 1HG1 ILE 101 2HG1 ILE 101 4.519 4.594 -3.009 754 2HG1 ILE 101 1HG1 ILE 101 3.362 3.372 -2.483 755 1HG2 ILE 101 1HG2 ILE 101 6.997 3.837 -3.156 756 2HG2 ILE 101 2HG2 ILE 101 7.348 2.116 -3.302 757 3HG2 ILE 101 3HG2 ILE 101 6.893 2.793 -1.738 758 1HD1 ILE 101 HD11 ILE 101 4.041 3.581 -0.344 759 2HD1 ILE 101 HD12 ILE 101 5.071 4.919 -0.843 760 3HD1 ILE 101 HD13 ILE 101 5.715 3.279 -0.798 761 H THR 102 HN THR 102 5.525 4.783 -5.828 762 HA THR 102 HA THR 102 8.111 3.783 -6.924 763 HB THR 102 HB THR 102 6.997 6.451 -7.693 764 HG1 THR 102 HG1 THR 102 5.901 3.936 -8.342 765 1HG2 THR 102 1HG2 THR 102 7.792 4.652 -9.813 766 2HG2 THR 102 2HG2 THR 102 9.037 4.718 -8.565 767 3HG2 THR 102 3HG2 THR 102 8.496 6.201 -9.351 768 H VAL 103 HN VAL 103 9.647 4.139 -5.360 769 HA VAL 103 HA VAL 103 9.568 6.702 -3.859 770 HB VAL 103 HB VAL 103 11.308 4.249 -3.465 771 1HG1 VAL 103 1HG1 VAL 103 11.542 6.915 -2.500 772 2HG1 VAL 103 2HG1 VAL 103 12.482 5.502 -2.017 773 3HG1 VAL 103 3HG1 VAL 103 11.001 5.913 -1.153 774 1HG2 VAL 103 1HG2 VAL 103 9.486 4.776 -1.318 775 2HG2 VAL 103 2HG2 VAL 103 9.560 3.356 -2.361 776 3HG2 VAL 103 3HG2 VAL 103 8.572 4.740 -2.825 777 H ALA 104 HN ALA 104 10.679 8.334 -4.789 778 HA ALA 104 HA ALA 104 12.913 7.750 -6.621 779 1HB ALA 104 HB1 ALA 104 12.918 10.338 -6.754 780 2HB ALA 104 HB2 ALA 104 11.416 10.249 -5.834 781 3HB ALA 104 HB3 ALA 104 11.525 9.487 -7.421 782 H GLY 105 HN GLY 105 14.960 7.600 -5.852 783 1HA GLY 105 HA2 GLY 105 15.807 7.875 -3.231 784 2HA GLY 105 HA1 GLY 105 16.885 8.152 -4.600 Start of MODEL 20 1 1H GLU 1 HT1 GLU 1 2.643 17.324 2.259 2 2H GLU 1 HT2 GLU 1 1.726 18.591 1.596 3 3H GLU 1 HT3 GLU 1 3.333 18.353 1.099 4 HA GLU 1 HA GLU 1 1.041 17.324 -0.065 5 1HB GLU 1 HB2 GLU 1 3.767 17.715 -0.627 6 2HB GLU 1 HB1 GLU 1 3.487 15.990 -0.867 7 1HG GLU 1 HG2 GLU 1 1.932 16.337 -2.562 8 2HG GLU 1 HG1 GLU 1 1.509 17.949 -1.981 9 H THR 2 HN THR 2 -0.052 15.443 0.218 10 HA THR 2 HA THR 2 1.381 13.147 1.483 11 HB THR 2 HB THR 2 -1.375 14.196 2.191 12 HG1 THR 2 HG1 THR 2 0.723 15.036 3.109 13 1HG2 THR 2 1HG2 THR 2 0.063 11.688 3.105 14 2HG2 THR 2 2HG2 THR 2 -1.371 11.740 2.079 15 3HG2 THR 2 3HG2 THR 2 -1.466 12.282 3.754 16 H TYR 3 HN TYR 3 1.143 11.326 0.278 17 HA TYR 3 HA TYR 3 -0.807 11.349 -1.944 18 1HB TYR 3 HB2 TYR 3 1.408 9.415 -1.200 19 2HB TYR 3 HB1 TYR 3 0.380 9.250 -2.625 20 HD1 TYR 3 HD1 TYR 3 1.082 10.221 -4.629 21 HD2 TYR 3 HD2 TYR 3 2.524 11.808 -0.907 22 HE1 TYR 3 HE1 TYR 3 2.540 11.801 -5.867 23 HE2 TYR 3 HE2 TYR 3 3.982 13.387 -2.145 24 HH TYR 3 HH TYR 3 4.279 14.360 -4.231 25 H THR 4 HN THR 4 -2.606 10.026 -2.012 26 HA THR 4 HA THR 4 -2.926 7.991 0.142 27 HB THR 4 HB THR 4 -5.221 9.794 -0.587 28 HG1 THR 4 HG1 THR 4 -2.980 10.367 0.954 29 1HG2 THR 4 1HG2 THR 4 -6.222 8.453 0.909 30 2HG2 THR 4 2HG2 THR 4 -5.140 9.089 2.147 31 3HG2 THR 4 3HG2 THR 4 -4.696 7.637 1.250 32 H VAL 5 HN VAL 5 -3.163 6.138 -1.039 33 HA VAL 5 HA VAL 5 -4.638 6.243 -3.607 34 HB VAL 5 HB VAL 5 -3.746 3.982 -3.944 35 1HG1 VAL 5 1HG1 VAL 5 -1.201 4.835 -3.237 36 2HG1 VAL 5 2HG1 VAL 5 -2.104 6.340 -3.413 37 3HG1 VAL 5 3HG1 VAL 5 -2.023 5.199 -4.755 38 1HG2 VAL 5 1HG2 VAL 5 -3.252 4.246 -1.049 39 2HG2 VAL 5 2HG2 VAL 5 -1.914 3.537 -1.954 40 3HG2 VAL 5 3HG2 VAL 5 -3.512 2.795 -2.017 41 H LYS 6 HN LYS 6 -6.824 6.034 -3.312 42 HA LYS 6 HA LYS 6 -7.869 4.406 -1.089 43 1HB LYS 6 HB2 LYS 6 -9.122 6.167 -3.196 44 2HB LYS 6 HB1 LYS 6 -10.109 5.102 -2.195 45 1HG LYS 6 HG2 LYS 6 -9.901 6.444 -0.388 46 2HG LYS 6 HG1 LYS 6 -8.161 6.618 -0.626 47 1HD LYS 6 HD2 LYS 6 -8.472 8.684 -1.458 48 2HD LYS 6 HD1 LYS 6 -9.493 8.021 -2.735 49 1HE LYS 6 HE2 LYS 6 -11.405 8.671 -1.702 50 2HE LYS 6 HE1 LYS 6 -10.824 8.163 -0.116 51 1HZ LYS 6 HZ1 LYS 6 -11.105 10.549 -0.195 52 2HZ LYS 6 HZ2 LYS 6 -10.068 10.661 -1.536 53 3HZ LYS 6 HZ3 LYS 6 -9.461 10.168 -0.028 54 H LEU 7 HN LEU 7 -8.788 2.379 -1.336 55 HA LEU 7 HA LEU 7 -8.511 1.139 -4.021 56 1HB LEU 7 HB2 LEU 7 -9.198 -0.932 -2.430 57 2HB LEU 7 HB1 LEU 7 -7.532 -0.412 -2.646 58 HG LEU 7 HG LEU 7 -9.226 0.833 -0.495 59 1HD1 LEU 7 HD11 LEU 7 -8.214 -0.941 1.035 60 2HD1 LEU 7 HD12 LEU 7 -7.846 -1.857 -0.427 61 3HD1 LEU 7 HD13 LEU 7 -9.522 -1.487 -0.016 62 1HD2 LEU 7 HD21 LEU 7 -6.950 1.718 -1.132 63 2HD2 LEU 7 HD22 LEU 7 -6.269 0.166 -0.646 64 3HD2 LEU 7 HD23 LEU 7 -7.062 1.193 0.547 65 H GLY 8 HN GLY 8 -10.459 2.264 -4.795 66 1HA GLY 8 HA2 GLY 8 -12.697 1.059 -5.361 67 2HA GLY 8 HA1 GLY 8 -12.997 1.215 -3.630 68 H SER 9 HN SER 9 -12.403 3.108 -6.578 69 HA SER 9 HA SER 9 -12.770 5.699 -5.557 70 1HB SER 9 HB2 SER 9 -13.877 6.092 -7.904 71 2HB SER 9 HB1 SER 9 -12.177 5.641 -7.818 72 HG SER 9 HG SER 9 -12.639 3.732 -8.619 73 H ASP 10 HN ASP 10 -15.415 4.518 -7.551 74 HA ASP 10 HA ASP 10 -17.367 4.320 -5.445 75 1HB ASP 10 HB2 ASP 10 -16.670 6.925 -5.908 76 2HB ASP 10 HB1 ASP 10 -18.016 6.727 -7.031 77 H LYS 11 HN LYS 11 -16.622 2.883 -7.840 78 HA LYS 11 HA LYS 11 -19.202 3.108 -9.335 79 1HB LYS 11 HB2 LYS 11 -16.428 2.572 -10.433 80 2HB LYS 11 HB1 LYS 11 -17.909 2.329 -11.359 81 1HG LYS 11 HG2 LYS 11 -17.755 4.505 -11.945 82 2HG LYS 11 HG1 LYS 11 -18.212 4.881 -10.283 83 1HD LYS 11 HD2 LYS 11 -15.525 4.334 -10.031 84 2HD LYS 11 HD1 LYS 11 -15.596 5.125 -11.606 85 1HE LYS 11 HE2 LYS 11 -17.230 6.761 -10.201 86 2HE LYS 11 HE1 LYS 11 -16.159 6.226 -8.906 87 1HZ LYS 11 HZ1 LYS 11 -15.490 8.260 -10.289 88 2HZ LYS 11 HZ2 LYS 11 -15.060 7.135 -11.487 89 3HZ LYS 11 HZ3 LYS 11 -14.309 7.087 -9.963 90 H GLY 12 HN GLY 12 -18.060 1.347 -7.073 91 1HA GLY 12 HA2 GLY 12 -18.483 -0.881 -6.438 92 2HA GLY 12 HA1 GLY 12 -19.267 -1.123 -8.001 93 H LEU 13 HN LEU 13 -15.950 0.006 -7.490 94 HA LEU 13 HA LEU 13 -14.934 -2.620 -8.454 95 1HB LEU 13 HB2 LEU 13 -14.305 0.080 -9.685 96 2HB LEU 13 HB1 LEU 13 -13.411 -1.401 -10.035 97 HG LEU 13 HG LEU 13 -16.409 -1.206 -10.371 98 1HD1 LEU 13 HD11 LEU 13 -15.798 0.339 -11.979 99 2HD1 LEU 13 HD12 LEU 13 -15.565 -1.146 -12.900 100 3HD1 LEU 13 HD13 LEU 13 -14.181 -0.338 -12.166 101 1HD2 LEU 13 HD21 LEU 13 -14.730 -3.375 -10.309 102 2HD2 LEU 13 HD22 LEU 13 -14.754 -3.002 -12.032 103 3HD2 LEU 13 HD23 LEU 13 -16.262 -3.331 -11.180 104 H LEU 14 HN LEU 14 -12.966 -3.166 -7.538 105 HA LEU 14 HA LEU 14 -11.899 -1.241 -5.535 106 1HB LEU 14 HB2 LEU 14 -11.604 -4.237 -5.856 107 2HB LEU 14 HB1 LEU 14 -10.690 -3.299 -4.674 108 HG LEU 14 HG LEU 14 -13.669 -2.979 -4.787 109 1HD1 LEU 14 HD11 LEU 14 -12.199 -5.428 -4.046 110 2HD1 LEU 14 HD12 LEU 14 -13.907 -5.213 -4.430 111 3HD1 LEU 14 HD13 LEU 14 -13.315 -4.848 -2.810 112 1HD2 LEU 14 HD21 LEU 14 -12.674 -1.497 -3.267 113 2HD2 LEU 14 HD22 LEU 14 -11.440 -2.662 -2.790 114 3HD2 LEU 14 HD23 LEU 14 -13.101 -2.857 -2.229 115 H VAL 15 HN VAL 15 -10.205 -0.055 -6.266 116 HA VAL 15 HA VAL 15 -7.924 -1.410 -7.514 117 HB VAL 15 HB VAL 15 -7.933 0.218 -9.464 118 1HG1 VAL 15 1HG1 VAL 15 -8.866 -2.260 -9.341 119 2HG1 VAL 15 2HG1 VAL 15 -9.118 -1.281 -10.785 120 3HG1 VAL 15 3HG1 VAL 15 -10.415 -1.458 -9.603 121 1HG2 VAL 15 1HG2 VAL 15 -10.599 0.796 -8.205 122 2HG2 VAL 15 2HG2 VAL 15 -10.433 0.912 -9.957 123 3HG2 VAL 15 3HG2 VAL 15 -9.434 1.917 -8.908 124 H PHE 16 HN PHE 16 -6.034 0.034 -7.604 125 HA PHE 16 HA PHE 16 -6.082 1.978 -5.412 126 1HB PHE 16 HB2 PHE 16 -3.980 0.728 -7.139 127 2HB PHE 16 HB1 PHE 16 -3.599 2.247 -6.327 128 HD1 PHE 16 HD1 PHE 16 -2.951 2.248 -4.068 129 HD2 PHE 16 HD2 PHE 16 -5.005 -1.163 -5.680 130 HE1 PHE 16 HE1 PHE 16 -2.582 1.021 -1.944 131 HE2 PHE 16 HE2 PHE 16 -4.636 -2.390 -3.556 132 HZ PHE 16 HZ PHE 16 -3.424 -1.297 -1.688 133 H GLU 17 HN GLU 17 -5.704 4.223 -5.632 134 HA GLU 17 HA GLU 17 -5.644 5.306 -8.401 135 1HB GLU 17 HB2 GLU 17 -7.722 5.808 -6.291 136 2HB GLU 17 HB1 GLU 17 -7.327 7.080 -7.447 137 1HG GLU 17 HG2 GLU 17 -7.946 4.279 -8.375 138 2HG GLU 17 HG1 GLU 17 -9.236 5.443 -8.069 139 HA PRO 18 HA PRO 18 -4.411 6.159 -9.408 140 1HB PRO 18 HB2 PRO 18 -1.730 6.519 -9.868 141 2HB PRO 18 HB1 PRO 18 -2.932 7.807 -10.034 142 1HG PRO 18 HG2 PRO 18 -0.908 7.379 -7.893 143 2HG PRO 18 HG1 PRO 18 -1.674 8.883 -8.430 144 1HD PRO 18 HD2 PRO 18 -2.352 7.407 -6.116 145 2HD PRO 18 HD1 PRO 18 -3.301 8.724 -6.836 146 H ALA 19 HN ALA 19 -2.910 4.440 -10.531 147 HA ALA 19 HA ALA 19 -2.809 2.107 -8.845 148 1HB ALA 19 HB1 ALA 19 -1.243 1.547 -11.084 149 2HB ALA 19 HB2 ALA 19 -2.395 2.751 -11.663 150 3HB ALA 19 HB3 ALA 19 -2.976 1.254 -10.933 151 H LYS 20 HN LYS 20 -0.155 3.794 -10.570 152 HA LYS 20 HA LYS 20 1.820 2.552 -8.792 153 1HB LYS 20 HB2 LYS 20 1.918 3.507 -11.371 154 2HB LYS 20 HB1 LYS 20 2.705 4.805 -10.471 155 1HG LYS 20 HG2 LYS 20 4.408 3.406 -9.682 156 2HG LYS 20 HG1 LYS 20 3.457 1.942 -9.938 157 1HD LYS 20 HD2 LYS 20 3.963 1.837 -12.179 158 2HD LYS 20 HD1 LYS 20 4.081 3.589 -12.343 159 1HE LYS 20 HE2 LYS 20 6.290 2.373 -12.533 160 2HE LYS 20 HE1 LYS 20 6.246 3.618 -11.284 161 1HZ LYS 20 HZ1 LYS 20 5.722 0.741 -10.779 162 2HZ LYS 20 HZ2 LYS 20 5.896 1.971 -9.620 163 3HZ LYS 20 HZ3 LYS 20 7.231 1.482 -10.551 164 H LEU 21 HN LEU 21 3.548 4.201 -7.859 165 HA LEU 21 HA LEU 21 2.413 6.765 -7.006 166 1HB LEU 21 HB2 LEU 21 1.586 4.732 -5.484 167 2HB LEU 21 HB1 LEU 21 3.164 4.981 -4.735 168 HG LEU 21 HG LEU 21 2.524 7.483 -4.666 169 1HD1 LEU 21 HD11 LEU 21 -0.306 6.553 -4.591 170 2HD1 LEU 21 HD12 LEU 21 0.429 6.749 -6.182 171 3HD1 LEU 21 HD13 LEU 21 0.350 8.117 -5.072 172 1HD2 LEU 21 HD21 LEU 21 2.643 6.099 -2.654 173 2HD2 LEU 21 HD22 LEU 21 1.049 5.425 -2.992 174 3HD2 LEU 21 HD23 LEU 21 1.213 7.128 -2.566 175 H THR 22 HN THR 22 4.240 7.908 -7.560 176 HA THR 22 HA THR 22 6.905 6.861 -6.852 177 HB THR 22 HB THR 22 6.175 9.536 -8.083 178 HG1 THR 22 HG1 THR 22 7.189 7.424 -9.577 179 1HG2 THR 22 1HG2 THR 22 8.452 9.328 -7.086 180 2HG2 THR 22 2HG2 THR 22 8.495 9.535 -8.837 181 3HG2 THR 22 3HG2 THR 22 8.750 7.939 -8.131 182 H ILE 23 HN ILE 23 6.804 6.926 -4.552 183 HA ILE 23 HA ILE 23 6.329 9.565 -3.306 184 HB ILE 23 HB ILE 23 6.422 8.249 -1.161 185 1HG1 ILE 23 2HG1 ILE 23 5.961 5.663 -2.290 186 2HG1 ILE 23 1HG1 ILE 23 7.471 6.279 -2.957 187 1HG2 ILE 23 1HG2 ILE 23 4.394 8.532 -2.992 188 2HG2 ILE 23 2HG2 ILE 23 4.198 7.884 -1.363 189 3HG2 ILE 23 3HG2 ILE 23 4.413 6.788 -2.729 190 1HD1 ILE 23 HD11 ILE 23 7.992 5.117 -0.897 191 2HD1 ILE 23 HD12 ILE 23 6.754 6.018 -0.024 192 3HD1 ILE 23 HD13 ILE 23 8.196 6.845 -0.613 193 H LYS 24 HN LYS 24 7.828 10.224 -1.561 194 HA LYS 24 HA LYS 24 10.612 9.826 -2.428 195 1HB LYS 24 HB2 LYS 24 9.644 11.534 -0.120 196 2HB LYS 24 HB1 LYS 24 11.123 11.724 -1.058 197 1HG LYS 24 HG2 LYS 24 8.862 11.779 -2.835 198 2HG LYS 24 HG1 LYS 24 8.623 12.954 -1.541 199 1HD LYS 24 HD2 LYS 24 10.865 13.895 -1.981 200 2HD LYS 24 HD1 LYS 24 11.097 12.728 -3.282 201 1HE LYS 24 HE2 LYS 24 9.209 13.664 -4.513 202 2HE LYS 24 HE1 LYS 24 8.859 14.772 -3.185 203 1HZ LYS 24 HZ1 LYS 24 10.567 16.111 -3.733 204 2HZ LYS 24 HZ2 LYS 24 10.372 15.416 -5.270 205 3HZ LYS 24 HZ3 LYS 24 11.573 14.835 -4.218 206 HA PRO 25 HA PRO 25 11.593 7.012 0.789 207 1HB PRO 25 HB2 PRO 25 14.040 7.913 1.683 208 2HB PRO 25 HB1 PRO 25 13.804 7.046 0.155 209 1HG PRO 25 HG2 PRO 25 14.279 9.959 0.612 210 2HG PRO 25 HG1 PRO 25 14.699 8.961 -0.790 211 1HD PRO 25 HD2 PRO 25 12.522 10.724 -0.654 212 2HD PRO 25 HD1 PRO 25 12.707 9.421 -1.845 213 H GLY 26 HN GLY 26 9.879 7.662 2.248 214 1HA GLY 26 HA2 GLY 26 9.943 7.949 4.788 215 2HA GLY 26 HA1 GLY 26 10.773 9.472 4.459 216 H ASP 27 HN ASP 27 8.678 9.189 1.971 217 HA ASP 27 HA ASP 27 6.940 11.259 2.889 218 1HB ASP 27 HB2 ASP 27 6.899 9.345 0.571 219 2HB ASP 27 HB1 ASP 27 5.497 10.368 0.885 220 H THR 28 HN THR 28 4.353 10.508 2.357 221 HA THR 28 HA THR 28 3.830 8.277 4.253 222 HB THR 28 HB THR 28 2.198 10.823 4.096 223 HG1 THR 28 HG1 THR 28 3.368 10.851 6.340 224 1HG2 THR 28 1HG2 THR 28 2.336 8.805 6.337 225 2HG2 THR 28 2HG2 THR 28 1.235 8.594 4.976 226 3HG2 THR 28 3HG2 THR 28 1.086 10.007 6.020 227 H VAL 29 HN VAL 29 2.395 6.798 3.449 228 HA VAL 29 HA VAL 29 0.760 7.615 1.101 229 HB VAL 29 HB VAL 29 1.722 4.799 1.594 230 1HG1 VAL 29 1HG1 VAL 29 0.395 6.332 -0.598 231 2HG1 VAL 29 2HG1 VAL 29 0.131 4.670 -0.071 232 3HG1 VAL 29 3HG1 VAL 29 1.533 5.068 -1.064 233 1HG2 VAL 29 1HG2 VAL 29 3.789 5.899 1.424 234 2HG2 VAL 29 2HG2 VAL 29 3.151 7.131 0.335 235 3HG2 VAL 29 3HG2 VAL 29 3.440 5.495 -0.257 236 H GLU 30 HN GLU 30 -1.360 7.659 1.692 237 HA GLU 30 HA GLU 30 -2.239 5.886 3.891 238 1HB GLU 30 HB2 GLU 30 -2.947 8.554 3.027 239 2HB GLU 30 HB1 GLU 30 -4.381 7.529 3.099 240 1HG GLU 30 HG2 GLU 30 -2.372 7.566 5.348 241 2HG GLU 30 HG1 GLU 30 -3.684 8.743 5.272 242 H PHE 31 HN PHE 31 -3.581 4.194 3.514 243 HA PHE 31 HA PHE 31 -4.908 4.000 0.844 244 1HB PHE 31 HB2 PHE 31 -4.206 1.383 1.867 245 2HB PHE 31 HB1 PHE 31 -3.770 2.113 0.323 246 HD1 PHE 31 HD1 PHE 31 -2.828 2.098 3.950 247 HD2 PHE 31 HD2 PHE 31 -1.538 2.770 -0.094 248 HE1 PHE 31 HE1 PHE 31 -0.497 2.380 4.739 249 HE2 PHE 31 HE2 PHE 31 0.794 3.050 0.700 250 HZ PHE 31 HZ PHE 31 1.312 2.857 3.116 251 H LEU 32 HN LEU 32 -6.954 4.510 1.748 252 HA LEU 32 HA LEU 32 -7.879 2.936 4.075 253 1HB LEU 32 HB2 LEU 32 -9.555 4.994 2.684 254 2HB LEU 32 HB1 LEU 32 -9.499 4.573 4.396 255 HG LEU 32 HG LEU 32 -6.905 5.433 3.828 256 1HD1 LEU 32 HD11 LEU 32 -8.652 6.494 1.848 257 2HD1 LEU 32 HD12 LEU 32 -6.968 6.927 2.146 258 3HD1 LEU 32 HD13 LEU 32 -8.262 7.809 2.956 259 1HD2 LEU 32 HD21 LEU 32 -7.436 6.483 5.751 260 2HD2 LEU 32 HD22 LEU 32 -9.143 6.133 5.479 261 3HD2 LEU 32 HD23 LEU 32 -8.435 7.619 4.844 262 H ASN 33 HN ASN 33 -10.395 2.456 3.848 263 HA ASN 33 HA ASN 33 -10.644 0.818 1.369 264 1HB ASN 33 HB2 ASN 33 -11.626 -0.819 2.655 265 2HB ASN 33 HB1 ASN 33 -10.680 -0.032 3.914 266 1HD2 ASN 33 HD21 ASN 33 -13.067 -1.512 4.422 267 2HD2 ASN 33 HD22 ASN 33 -14.201 -0.432 5.059 268 H ASN 34 HN ASN 34 -12.774 0.746 0.326 269 HA ASN 34 HA ASN 34 -14.740 2.781 1.175 270 1HB ASN 34 HB2 ASN 34 -13.120 4.005 -0.276 271 2HB ASN 34 HB1 ASN 34 -13.477 2.872 -1.581 272 1HD2 ASN 34 HD21 ASN 34 -14.889 3.848 -3.033 273 2HD2 ASN 34 HD22 ASN 34 -16.212 4.821 -2.606 274 H LYS 35 HN LYS 35 -13.943 0.744 -1.670 275 HA LYS 35 HA LYS 35 -16.648 0.203 -2.360 276 1HB LYS 35 HB2 LYS 35 -14.182 -0.407 -3.430 277 2HB LYS 35 HB1 LYS 35 -14.753 -1.983 -2.897 278 1HG LYS 35 HG2 LYS 35 -15.770 -0.231 -5.071 279 2HG LYS 35 HG1 LYS 35 -15.731 -1.985 -4.973 280 1HD LYS 35 HD2 LYS 35 -17.969 -1.833 -4.656 281 2HD LYS 35 HD1 LYS 35 -17.576 -1.322 -3.016 282 1HE LYS 35 HE2 LYS 35 -17.605 1.026 -3.701 283 2HE LYS 35 HE1 LYS 35 -17.868 0.559 -5.380 284 1HZ LYS 35 HZ1 LYS 35 -20.022 0.681 -4.922 285 2HZ LYS 35 HZ2 LYS 35 -19.750 0.801 -3.250 286 3HZ LYS 35 HZ3 LYS 35 -19.839 -0.725 -3.991 287 H VAL 36 HN VAL 36 -16.361 -2.765 -2.411 288 HA VAL 36 HA VAL 36 -17.745 -3.337 0.045 289 HB VAL 36 HB VAL 36 -16.439 -5.234 -1.929 290 1HG1 VAL 36 1HG1 VAL 36 -18.586 -6.532 -0.827 291 2HG1 VAL 36 2HG1 VAL 36 -17.988 -5.612 0.554 292 3HG1 VAL 36 3HG1 VAL 36 -16.919 -6.735 -0.288 293 1HG2 VAL 36 1HG2 VAL 36 -19.273 -5.208 -2.104 294 2HG2 VAL 36 2HG2 VAL 36 -18.118 -4.640 -3.309 295 3HG2 VAL 36 3HG2 VAL 36 -18.750 -3.525 -2.098 296 HA PRO 37 HA PRO 37 -13.890 -3.751 2.352 297 1HB PRO 37 HB2 PRO 37 -15.103 -3.538 4.804 298 2HB PRO 37 HB1 PRO 37 -14.713 -2.142 3.788 299 1HG PRO 37 HG2 PRO 37 -17.364 -3.372 4.338 300 2HG PRO 37 HG1 PRO 37 -16.976 -1.712 3.860 301 1HD PRO 37 HD2 PRO 37 -17.962 -3.773 2.163 302 2HD PRO 37 HD1 PRO 37 -17.343 -2.189 1.654 303 HA PRO 38 HA PRO 38 -13.288 -3.940 4.653 304 1HB PRO 38 HB2 PRO 38 -11.436 -5.508 5.939 305 2HB PRO 38 HB1 PRO 38 -13.011 -5.101 6.638 306 1HG PRO 38 HG2 PRO 38 -12.082 -7.689 5.511 307 2HG PRO 38 HG1 PRO 38 -13.370 -7.375 6.684 308 1HD PRO 38 HD2 PRO 38 -13.690 -7.911 3.896 309 2HD PRO 38 HD1 PRO 38 -14.956 -7.419 5.041 310 H HIS 39 HN HIS 39 -10.442 -4.413 4.850 311 HA HIS 39 HA HIS 39 -9.514 -5.537 2.320 312 1HB HIS 39 HB2 HIS 39 -9.595 -2.546 2.753 313 2HB HIS 39 HB1 HIS 39 -8.483 -3.303 1.613 314 HD2 HIS 39 HD2 HIS 39 -12.245 -2.383 1.875 315 HE1 HIS 39 HE1 HIS 39 -11.747 -4.511 -1.732 316 HE2 HIS 39 HE2 HIS 39 -13.361 -3.161 -0.339 317 H ASN 40 HN ASN 40 -7.287 -5.945 2.388 318 HA ASN 40 HA ASN 40 -5.931 -5.124 4.922 319 1HB ASN 40 HB2 ASN 40 -6.336 -7.592 4.613 320 2HB ASN 40 HB1 ASN 40 -5.297 -7.529 3.188 321 1HD2 ASN 40 HD21 ASN 40 -4.347 -9.178 5.135 322 2HD2 ASN 40 HD22 ASN 40 -3.070 -8.460 5.993 323 H VAL 41 HN VAL 41 -3.777 -4.372 4.762 324 HA VAL 41 HA VAL 41 -2.791 -3.886 1.982 325 HB VAL 41 HB VAL 41 -3.013 -1.973 4.311 326 1HG1 VAL 41 1HG1 VAL 41 -0.788 -1.556 3.730 327 2HG1 VAL 41 2HG1 VAL 41 -1.654 -0.447 2.666 328 3HG1 VAL 41 3HG1 VAL 41 -1.047 -1.979 2.037 329 1HG2 VAL 41 1HG2 VAL 41 -3.535 -0.760 1.822 330 2HG2 VAL 41 2HG2 VAL 41 -4.722 -1.245 3.032 331 3HG2 VAL 41 3HG2 VAL 41 -4.282 -2.355 1.735 332 H VAL 42 HN VAL 42 -0.868 -4.906 1.751 333 HA VAL 42 HA VAL 42 1.158 -4.683 3.872 334 HB VAL 42 HB VAL 42 1.441 -7.337 3.440 335 1HG1 VAL 42 1HG1 VAL 42 -0.507 -7.093 5.506 336 2HG1 VAL 42 2HG1 VAL 42 0.456 -5.616 5.509 337 3HG1 VAL 42 3HG1 VAL 42 1.246 -7.184 5.675 338 1HG2 VAL 42 1HG2 VAL 42 -0.536 -7.587 2.049 339 2HG2 VAL 42 2HG2 VAL 42 -1.528 -6.734 3.233 340 3HG2 VAL 42 3HG2 VAL 42 -0.874 -8.327 3.614 341 H PHE 43 HN PHE 43 3.226 -5.957 3.033 342 HA PHE 43 HA PHE 43 3.375 -5.639 0.064 343 1HB PHE 43 HB2 PHE 43 5.721 -4.947 1.818 344 2HB PHE 43 HB1 PHE 43 5.363 -4.407 0.182 345 HD1 PHE 43 HD1 PHE 43 4.652 -2.212 -0.064 346 HD2 PHE 43 HD2 PHE 43 3.791 -4.285 3.597 347 HE1 PHE 43 HE1 PHE 43 3.628 -0.153 0.864 348 HE2 PHE 43 HE2 PHE 43 2.756 -2.232 4.514 349 HZ PHE 43 HZ PHE 43 2.692 -0.164 3.160 350 H ASP 44 HN ASP 44 4.412 -7.313 -0.968 351 HA ASP 44 HA ASP 44 4.962 -9.750 0.397 352 1HB ASP 44 HB2 ASP 44 4.608 -9.205 -2.172 353 2HB ASP 44 HB1 ASP 44 6.369 -9.104 -2.171 354 H ALA 45 HN ALA 45 6.753 -10.417 1.511 355 HA ALA 45 HA ALA 45 8.967 -8.545 1.849 356 1HB ALA 45 HB1 ALA 45 7.862 -10.772 3.299 357 2HB ALA 45 HB2 ALA 45 9.017 -9.560 3.855 358 3HB ALA 45 HB3 ALA 45 9.591 -11.027 3.063 359 H ALA 46 HN ALA 46 8.286 -10.685 -0.541 360 HA ALA 46 HA ALA 46 11.108 -11.598 -0.840 361 1HB ALA 46 HB1 ALA 46 9.379 -12.603 -2.903 362 2HB ALA 46 HB2 ALA 46 8.602 -12.847 -1.339 363 3HB ALA 46 HB3 ALA 46 10.212 -13.503 -1.635 364 H LEU 47 HN LEU 47 9.395 -8.961 -1.638 365 HA LEU 47 HA LEU 47 10.856 -8.657 -4.225 366 1HB LEU 47 HB2 LEU 47 7.971 -8.307 -3.634 367 2HB LEU 47 HB1 LEU 47 8.712 -7.032 -4.602 368 HG LEU 47 HG LEU 47 9.730 -8.984 -5.988 369 1HD1 LEU 47 HD11 LEU 47 7.975 -10.922 -5.949 370 2HD1 LEU 47 HD12 LEU 47 7.626 -10.345 -4.320 371 3HD1 LEU 47 HD13 LEU 47 9.248 -10.904 -4.728 372 1HD2 LEU 47 HD21 LEU 47 7.037 -9.227 -6.782 373 2HD2 LEU 47 HD22 LEU 47 8.220 -8.071 -7.396 374 3HD2 LEU 47 HD23 LEU 47 7.168 -7.627 -6.052 375 H ASN 48 HN ASN 48 12.167 -7.766 -2.105 376 HA ASN 48 HA ASN 48 11.512 -4.853 -1.909 377 1HB ASN 48 HB2 ASN 48 13.175 -5.125 0.143 378 2HB ASN 48 HB1 ASN 48 11.467 -5.535 0.308 379 1HD2 ASN 48 HD21 ASN 48 12.052 -7.131 2.002 380 2HD2 ASN 48 HD22 ASN 48 12.732 -8.624 1.568 381 HA PRO 49 HA PRO 49 15.341 -4.035 -3.886 382 1HB PRO 49 HB2 PRO 49 15.826 -1.524 -2.876 383 2HB PRO 49 HB1 PRO 49 14.600 -1.865 -4.110 384 1HG PRO 49 HG2 PRO 49 14.228 -1.244 -1.221 385 2HG PRO 49 HG1 PRO 49 13.107 -1.009 -2.572 386 1HD PRO 49 HD2 PRO 49 13.021 -3.115 -0.666 387 2HD PRO 49 HD1 PRO 49 12.081 -3.017 -2.171 388 H ALA 50 HN ALA 50 15.279 -3.323 -0.378 389 HA ALA 50 HA ALA 50 18.193 -3.950 -0.294 390 1HB ALA 50 HB1 ALA 50 18.387 -2.301 1.235 391 2HB ALA 50 HB2 ALA 50 17.085 -2.982 2.209 392 3HB ALA 50 HB3 ALA 50 16.712 -1.879 0.885 393 H LYS 51 HN LYS 51 16.006 -5.918 -0.458 394 HA LYS 51 HA LYS 51 15.117 -7.776 0.745 395 1HB LYS 51 HB2 LYS 51 17.197 -9.100 1.653 396 2HB LYS 51 HB1 LYS 51 17.023 -8.837 -0.081 397 1HG LYS 51 HG2 LYS 51 18.442 -6.765 0.173 398 2HG LYS 51 HG1 LYS 51 18.747 -7.252 1.841 399 1HD LYS 51 HD2 LYS 51 19.525 -8.708 -0.692 400 2HD LYS 51 HD1 LYS 51 20.586 -8.103 0.580 401 1HE LYS 51 HE2 LYS 51 20.497 -10.320 1.206 402 2HE LYS 51 HE1 LYS 51 19.083 -9.730 2.079 403 1HZ LYS 51 HZ1 LYS 51 17.831 -11.094 0.894 404 2HZ LYS 51 HZ2 LYS 51 19.193 -11.649 0.043 405 3HZ LYS 51 HZ3 LYS 51 18.308 -10.321 -0.538 406 H SER 52 HN SER 52 14.726 -5.567 2.389 407 HA SER 52 HA SER 52 15.778 -6.377 5.052 408 1HB SER 52 HB2 SER 52 14.612 -3.858 3.922 409 2HB SER 52 HB1 SER 52 14.488 -4.148 5.655 410 HG SER 52 HG SER 52 16.637 -3.441 4.150 411 H ALA 53 HN ALA 53 14.488 -7.848 6.067 412 HA ALA 53 HA ALA 53 11.679 -8.168 5.440 413 1HB ALA 53 HB1 ALA 53 12.495 -9.221 8.044 414 2HB ALA 53 HB2 ALA 53 13.610 -9.685 6.758 415 3HB ALA 53 HB3 ALA 53 11.897 -10.083 6.627 416 H ASP 54 HN ASP 54 13.498 -6.320 7.786 417 HA ASP 54 HA ASP 54 11.323 -5.763 9.586 418 1HB ASP 54 HB2 ASP 54 14.002 -5.298 9.653 419 2HB ASP 54 HB1 ASP 54 13.413 -3.690 9.231 420 H LEU 55 HN LEU 55 12.254 -4.511 6.478 421 HA LEU 55 HA LEU 55 11.060 -1.949 6.531 422 1HB LEU 55 HB2 LEU 55 12.334 -2.501 4.606 423 2HB LEU 55 HB1 LEU 55 11.422 -3.984 4.326 424 HG LEU 55 HG LEU 55 9.410 -2.645 3.803 425 1HD1 LEU 55 HD11 LEU 55 10.156 -0.693 5.264 426 2HD1 LEU 55 HD12 LEU 55 9.480 -0.251 3.696 427 3HD1 LEU 55 HD13 LEU 55 11.226 -0.227 3.941 428 1HD2 LEU 55 HD21 LEU 55 10.159 -1.820 1.644 429 2HD2 LEU 55 HD22 LEU 55 11.069 -3.282 2.023 430 3HD2 LEU 55 HD23 LEU 55 11.820 -1.699 2.224 431 H ALA 56 HN ALA 56 9.546 -4.944 5.258 432 HA ALA 56 HA ALA 56 6.916 -3.793 5.170 433 1HB ALA 56 HB1 ALA 56 8.146 -6.333 4.566 434 2HB ALA 56 HB2 ALA 56 6.628 -5.669 3.963 435 3HB ALA 56 HB3 ALA 56 6.651 -6.590 5.466 436 H LYS 57 HN LYS 57 8.780 -5.259 7.715 437 HA LYS 57 HA LYS 57 6.882 -6.236 9.485 438 1HB LYS 57 HB2 LYS 57 9.550 -5.170 9.688 439 2HB LYS 57 HB1 LYS 57 8.588 -4.601 11.053 440 1HG LYS 57 HG2 LYS 57 8.555 -7.499 10.208 441 2HG LYS 57 HG1 LYS 57 9.779 -6.877 11.316 442 1HD LYS 57 HD2 LYS 57 6.829 -6.427 11.783 443 2HD LYS 57 HD1 LYS 57 7.663 -7.860 12.386 444 1HE LYS 57 HE2 LYS 57 8.422 -6.676 14.139 445 2HE LYS 57 HE1 LYS 57 9.265 -5.591 13.034 446 1HZ LYS 57 HZ1 LYS 57 6.530 -5.340 14.124 447 2HZ LYS 57 HZ2 LYS 57 7.017 -4.485 12.739 448 3HZ LYS 57 HZ3 LYS 57 7.810 -4.231 14.219 449 H SER 58 HN SER 58 8.005 -2.835 9.608 450 HA SER 58 HA SER 58 5.578 -2.065 11.061 451 1HB SER 58 HB2 SER 58 7.185 0.133 10.006 452 2HB SER 58 HB1 SER 58 6.796 -0.265 11.677 453 HG SER 58 HG SER 58 8.987 -0.951 10.122 454 H LEU 59 HN LEU 59 6.680 -2.108 7.769 455 HA LEU 59 HA LEU 59 4.856 -0.090 6.765 456 1HB LEU 59 HB2 LEU 59 7.004 -1.258 5.688 457 2HB LEU 59 HB1 LEU 59 5.782 -2.332 5.020 458 HG LEU 59 HG LEU 59 4.557 -0.151 4.337 459 1HD1 LEU 59 HD11 LEU 59 6.361 1.133 5.784 460 2HD1 LEU 59 HD12 LEU 59 5.757 1.841 4.286 461 3HD1 LEU 59 HD13 LEU 59 7.317 1.019 4.306 462 1HD2 LEU 59 HD21 LEU 59 7.191 -0.723 2.959 463 2HD2 LEU 59 HD22 LEU 59 5.687 -0.173 2.224 464 3HD2 LEU 59 HD23 LEU 59 5.810 -1.814 2.855 465 H SER 60 HN SER 60 4.838 -3.660 6.456 466 HA SER 60 HA SER 60 2.044 -3.639 5.609 467 1HB SER 60 HB2 SER 60 2.954 -6.241 6.443 468 2HB SER 60 HB1 SER 60 2.594 -5.669 4.817 469 HG SER 60 HG SER 60 4.814 -6.340 5.194 470 H HIS 61 HN HIS 61 0.273 -3.925 6.887 471 HA HIS 61 HA HIS 61 0.756 -4.396 9.796 472 1HB HIS 61 HB2 HIS 61 -1.303 -3.224 10.215 473 2HB HIS 61 HB1 HIS 61 -0.397 -2.254 9.053 474 HD1 HIS 61 HD1 HIS 61 -3.046 -5.013 8.978 475 HD2 HIS 61 HD2 HIS 61 -1.879 -1.641 6.809 476 HE1 HIS 61 HE1 HIS 61 -4.740 -4.730 7.110 477 H LYS 62 HN LYS 62 -0.582 -5.955 10.879 478 HA LYS 62 HA LYS 62 -1.686 -8.005 9.026 479 1HB LYS 62 HB2 LYS 62 -1.720 -8.791 11.815 480 2HB LYS 62 HB1 LYS 62 -0.868 -9.536 10.465 481 1HG LYS 62 HG2 LYS 62 0.876 -7.693 10.708 482 2HG LYS 62 HG1 LYS 62 0.087 -7.267 12.227 483 1HD LYS 62 HD2 LYS 62 0.762 -9.206 13.283 484 2HD LYS 62 HD1 LYS 62 0.791 -10.136 11.785 485 1HE LYS 62 HE2 LYS 62 3.049 -9.889 11.955 486 2HE LYS 62 HE1 LYS 62 2.736 -8.290 11.279 487 1HZ LYS 62 HZ1 LYS 62 4.076 -8.170 13.292 488 2HZ LYS 62 HZ2 LYS 62 2.847 -8.944 14.174 489 3HZ LYS 62 HZ3 LYS 62 2.580 -7.404 13.511 490 H GLN 63 HN GLN 63 -3.652 -9.224 10.089 491 HA GLN 63 HA GLN 63 -5.864 -9.128 10.874 492 1HB GLN 63 HB2 GLN 63 -4.539 -7.732 12.743 493 2HB GLN 63 HB1 GLN 63 -5.485 -6.413 12.051 494 1HG GLN 63 HG2 GLN 63 -7.203 -8.680 12.344 495 2HG GLN 63 HG1 GLN 63 -6.357 -8.428 13.872 496 1HE2 GLN 63 1HE2 GLN 63 -6.205 -5.842 14.362 497 2HE2 GLN 63 2HE2 GLN 63 -7.688 -5.031 14.207 498 H LEU 64 HN LEU 64 -7.544 -8.632 9.545 499 HA LEU 64 HA LEU 64 -7.269 -6.612 7.496 500 1HB LEU 64 HB2 LEU 64 -9.474 -8.459 8.378 501 2HB LEU 64 HB1 LEU 64 -9.812 -7.177 7.216 502 HG LEU 64 HG LEU 64 -7.641 -8.117 6.029 503 1HD1 LEU 64 HD11 LEU 64 -8.512 -10.791 6.789 504 2HD1 LEU 64 HD12 LEU 64 -7.885 -9.897 8.174 505 3HD1 LEU 64 HD13 LEU 64 -6.881 -10.121 6.741 506 1HD2 LEU 64 HD21 LEU 64 -10.494 -8.737 5.887 507 2HD2 LEU 64 HD22 LEU 64 -9.500 -10.050 5.256 508 3HD2 LEU 64 HD23 LEU 64 -9.352 -8.429 4.578 509 H LEU 65 HN LEU 65 -8.901 -4.832 7.207 510 HA LEU 65 HA LEU 65 -9.152 -3.328 9.717 511 1HB LEU 65 HB2 LEU 65 -10.233 -2.473 7.028 512 2HB LEU 65 HB1 LEU 65 -9.681 -1.456 8.360 513 HG LEU 65 HG LEU 65 -7.757 -3.365 7.059 514 1HD1 LEU 65 HD11 LEU 65 -7.265 -1.891 5.299 515 2HD1 LEU 65 HD12 LEU 65 -8.099 -0.542 6.073 516 3HD1 LEU 65 HD13 LEU 65 -9.028 -1.858 5.354 517 1HD2 LEU 65 HD21 LEU 65 -6.972 -0.630 7.839 518 2HD2 LEU 65 HD22 LEU 65 -6.199 -2.171 8.212 519 3HD2 LEU 65 HD23 LEU 65 -7.572 -1.618 9.172 520 H MET 66 HN MET 66 -11.271 -2.364 10.348 521 HA MET 66 HA MET 66 -13.592 -4.023 9.459 522 1HB MET 66 HB2 MET 66 -12.438 -3.721 12.160 523 2HB MET 66 HB1 MET 66 -14.188 -3.513 12.079 524 1HG MET 66 HG2 MET 66 -13.097 -5.794 10.530 525 2HG MET 66 HG1 MET 66 -12.987 -5.940 12.284 526 1HE MET 66 HE1 MET 66 -14.346 -6.206 13.732 527 2HE MET 66 HE2 MET 66 -15.826 -7.134 13.502 528 3HE MET 66 HE3 MET 66 -15.919 -5.400 13.806 529 H SER 67 HN SER 67 -12.403 -1.047 9.369 530 HA SER 67 HA SER 67 -15.072 0.209 9.857 531 1HB SER 67 HB2 SER 67 -13.217 0.880 11.478 532 2HB SER 67 HB1 SER 67 -12.415 1.634 10.104 533 HG SER 67 HG SER 67 -14.471 2.772 9.792 534 HA PRO 68 HA PRO 68 -14.686 1.254 5.579 535 1HB PRO 68 HB2 PRO 68 -16.887 2.891 5.452 536 2HB PRO 68 HB1 PRO 68 -16.984 1.122 5.499 537 1HG PRO 68 HG2 PRO 68 -17.588 3.090 7.653 538 2HG PRO 68 HG1 PRO 68 -18.215 1.449 7.424 539 1HD PRO 68 HD2 PRO 68 -16.178 2.223 9.245 540 2HD PRO 68 HD1 PRO 68 -16.614 0.559 8.800 541 H GLY 69 HN GLY 69 -12.902 2.613 5.240 542 1HA GLY 69 HA2 GLY 69 -12.116 4.784 4.565 543 2HA GLY 69 HA1 GLY 69 -13.438 5.521 5.469 544 H GLN 70 HN GLN 70 -11.148 3.088 6.657 545 HA GLN 70 HA GLN 70 -9.702 5.112 8.235 546 1HB GLN 70 HB2 GLN 70 -11.670 3.176 9.398 547 2HB GLN 70 HB1 GLN 70 -10.210 3.546 10.314 548 1HG GLN 70 HG2 GLN 70 -10.905 6.049 9.660 549 2HG GLN 70 HG1 GLN 70 -12.508 5.313 9.613 550 1HE2 GLN 70 1HE2 GLN 70 -13.445 4.603 11.620 551 2HE2 GLN 70 2HE2 GLN 70 -12.720 4.909 13.125 552 H SER 71 HN SER 71 -7.990 4.212 6.853 553 HA SER 71 HA SER 71 -7.238 1.405 7.453 554 1HB SER 71 HB2 SER 71 -5.411 1.981 5.709 555 2HB SER 71 HB1 SER 71 -7.068 1.770 5.159 556 HG SER 71 HG SER 71 -5.550 4.112 5.492 557 H THR 72 HN THR 72 -4.506 1.493 7.235 558 HA THR 72 HA THR 72 -3.717 3.164 9.574 559 HB THR 72 HB THR 72 -3.385 0.583 9.508 560 HG1 THR 72 HG1 THR 72 -2.395 1.878 11.043 561 1HG2 THR 72 1HG2 THR 72 -1.328 -0.161 8.402 562 2HG2 THR 72 2HG2 THR 72 -1.054 1.467 7.781 563 3HG2 THR 72 3HG2 THR 72 -2.435 0.529 7.215 564 H SER 73 HN SER 73 -2.456 4.927 9.147 565 HA SER 73 HA SER 73 -1.540 5.405 6.414 566 1HB SER 73 HB2 SER 73 -0.593 7.520 7.463 567 2HB SER 73 HB1 SER 73 -2.334 7.316 7.632 568 HG SER 73 HG SER 73 -2.087 6.837 9.726 569 H THR 74 HN THR 74 0.060 3.866 5.983 570 HA THR 74 HA THR 74 2.259 3.363 7.795 571 HB THR 74 HB THR 74 2.314 2.856 4.819 572 HG1 THR 74 HG1 THR 74 1.228 1.055 6.684 573 1HG2 THR 74 1HG2 THR 74 3.236 0.947 6.915 574 2HG2 THR 74 2HG2 THR 74 4.200 2.400 6.653 575 3HG2 THR 74 3HG2 THR 74 3.912 1.281 5.321 576 H THR 75 HN THR 75 3.358 5.268 8.281 577 HA THR 75 HA THR 75 4.130 7.154 6.192 578 HB THR 75 HB THR 75 5.246 6.992 9.002 579 HG1 THR 75 HG1 THR 75 2.776 7.930 8.032 580 1HG2 THR 75 1HG2 THR 75 5.030 9.086 6.856 581 2HG2 THR 75 2HG2 THR 75 6.435 8.623 7.817 582 3HG2 THR 75 3HG2 THR 75 5.136 9.566 8.550 583 H PHE 76 HN PHE 76 5.347 5.838 4.757 584 HA PHE 76 HA PHE 76 7.331 4.003 5.217 585 1HB PHE 76 HB2 PHE 76 7.061 6.174 3.163 586 2HB PHE 76 HB1 PHE 76 8.546 5.222 3.207 587 HD1 PHE 76 HD1 PHE 76 8.601 3.306 1.892 588 HD2 PHE 76 HD2 PHE 76 4.828 4.646 3.451 589 HE1 PHE 76 HE1 PHE 76 7.456 1.443 0.722 590 HE2 PHE 76 HE2 PHE 76 3.687 2.783 2.281 591 HZ PHE 76 HZ PHE 76 4.998 1.186 0.918 592 HA PRO 77 HA PRO 77 10.476 5.992 7.529 593 1HB PRO 77 HB2 PRO 77 12.560 4.321 6.881 594 2HB PRO 77 HB1 PRO 77 11.262 3.884 8.002 595 1HG PRO 77 HG2 PRO 77 11.704 2.975 5.199 596 2HG PRO 77 HG1 PRO 77 10.863 2.154 6.524 597 1HD PRO 77 HD2 PRO 77 9.628 3.530 4.383 598 2HD PRO 77 HD1 PRO 77 8.834 3.001 5.881 599 H ALA 78 HN ALA 78 12.712 6.950 7.274 600 HA ALA 78 HA ALA 78 12.902 8.353 4.703 601 1HB ALA 78 HB1 ALA 78 13.306 9.497 6.909 602 2HB ALA 78 HB2 ALA 78 14.639 9.668 5.768 603 3HB ALA 78 HB3 ALA 78 14.757 8.513 7.095 604 H ASP 79 HN ASP 79 13.773 5.354 5.580 605 HA ASP 79 HA ASP 79 16.456 5.433 4.303 606 1HB ASP 79 HB2 ASP 79 14.985 3.233 5.788 607 2HB ASP 79 HB1 ASP 79 16.568 3.031 5.036 608 H ALA 80 HN ALA 80 13.229 4.989 3.483 609 HA ALA 80 HA ALA 80 12.942 2.867 1.778 610 1HB ALA 80 HB1 ALA 80 11.122 4.058 1.217 611 2HB ALA 80 HB2 ALA 80 12.131 5.136 0.253 612 3HB ALA 80 HB3 ALA 80 11.829 5.496 1.953 613 HA PRO 81 HA PRO 81 16.637 3.680 -0.725 614 1HB PRO 81 HB2 PRO 81 17.024 1.034 -1.362 615 2HB PRO 81 HB1 PRO 81 17.621 1.783 0.130 616 1HG PRO 81 HG2 PRO 81 15.311 -0.067 -0.247 617 2HG PRO 81 HG1 PRO 81 16.319 0.191 1.186 618 1HD PRO 81 HD2 PRO 81 13.725 1.243 0.780 619 2HD PRO 81 HD1 PRO 81 14.876 1.763 2.029 620 H ALA 82 HN ALA 82 16.730 3.930 -2.966 621 HA ALA 82 HA ALA 82 14.487 3.986 -4.581 622 1HB ALA 82 HB1 ALA 82 15.984 4.622 -6.143 623 2HB ALA 82 HB2 ALA 82 16.733 3.025 -6.143 624 3HB ALA 82 HB3 ALA 82 17.260 4.246 -4.984 625 H GLY 83 HN GLY 83 13.191 2.476 -5.538 626 1HA GLY 83 HA2 GLY 83 13.756 0.058 -6.691 627 2HA GLY 83 HA1 GLY 83 13.694 -0.355 -4.976 628 H GLU 84 HN GLU 84 11.834 -1.116 -7.190 629 HA GLU 84 HA GLU 84 9.354 0.341 -6.522 630 1HB GLU 84 HB2 GLU 84 9.655 -0.251 -8.847 631 2HB GLU 84 HB1 GLU 84 9.947 -1.939 -8.428 632 1HG GLU 84 HG2 GLU 84 7.729 -2.389 -8.154 633 2HG GLU 84 HG1 GLU 84 7.403 -0.822 -7.412 634 H TYR 85 HN TYR 85 8.198 -0.280 -4.766 635 HA TYR 85 HA TYR 85 8.604 -2.939 -3.577 636 1HB TYR 85 HB2 TYR 85 6.700 -0.716 -2.770 637 2HB TYR 85 HB1 TYR 85 7.132 -2.124 -1.798 638 HD1 TYR 85 HD1 TYR 85 8.463 0.975 -3.356 639 HD2 TYR 85 HD2 TYR 85 9.175 -2.209 -0.564 640 HE1 TYR 85 HE1 TYR 85 10.456 2.175 -2.497 641 HE2 TYR 85 HE2 TYR 85 11.168 -1.009 0.296 642 HH TYR 85 HH TYR 85 12.437 1.819 -1.296 643 H THR 86 HN THR 86 6.037 -3.583 -2.662 644 HA THR 86 HA THR 86 4.116 -3.480 -4.835 645 HB THR 86 HB THR 86 5.467 -6.143 -4.325 646 HG1 THR 86 HG1 THR 86 5.542 -4.695 -6.730 647 1HG2 THR 86 1HG2 THR 86 2.991 -5.306 -5.612 648 2HG2 THR 86 2HG2 THR 86 3.549 -6.930 -5.208 649 3HG2 THR 86 3HG2 THR 86 4.045 -6.178 -6.724 650 H PHE 87 HN PHE 87 2.408 -3.133 -3.471 651 HA PHE 87 HA PHE 87 2.056 -5.002 -1.201 652 1HB PHE 87 HB2 PHE 87 0.131 -3.212 -0.723 653 2HB PHE 87 HB1 PHE 87 1.793 -2.950 -0.193 654 HD1 PHE 87 HD1 PHE 87 -0.868 -1.829 -2.375 655 HD2 PHE 87 HD2 PHE 87 3.353 -1.611 -1.634 656 HE1 PHE 87 HE1 PHE 87 -0.723 0.183 -3.805 657 HE2 PHE 87 HE2 PHE 87 3.506 0.400 -3.061 658 HZ PHE 87 HZ PHE 87 1.465 1.307 -4.155 659 H TYR 88 HN TYR 88 -0.320 -5.687 -0.861 660 HA TYR 88 HA TYR 88 -1.969 -5.630 -3.284 661 1HB TYR 88 HB2 TYR 88 -2.017 -8.114 -3.474 662 2HB TYR 88 HB1 TYR 88 -0.413 -7.448 -3.792 663 HD1 TYR 88 HD1 TYR 88 -2.388 -9.595 -1.646 664 HD2 TYR 88 HD2 TYR 88 1.312 -7.434 -1.940 665 HE1 TYR 88 HE1 TYR 88 -1.457 -10.935 0.221 666 HE2 TYR 88 HE2 TYR 88 2.245 -8.776 -0.075 667 HH TYR 88 HH TYR 88 1.897 -10.456 1.333 668 H CYS 89 HN CYS 89 -3.687 -7.693 -2.727 669 HA CYS 89 HA CYS 89 -4.633 -7.172 0.058 670 1HB CYS 89 HB2 CYS 89 -5.837 -6.080 -2.126 671 2HB CYS 89 HB1 CYS 89 -6.695 -7.617 -2.024 672 H GLU 90 HN GLU 90 -4.979 -9.057 1.134 673 HA GLU 90 HA GLU 90 -4.565 -11.605 -0.122 674 1HB GLU 90 HB2 GLU 90 -4.195 -10.965 2.335 675 2HB GLU 90 HB1 GLU 90 -5.931 -11.205 2.537 676 1HG GLU 90 HG2 GLU 90 -5.168 -13.340 3.022 677 2HG GLU 90 HG1 GLU 90 -5.423 -13.487 1.283 678 HA PRO 91 HA PRO 91 -9.300 -12.137 0.332 679 1HB PRO 91 HB2 PRO 91 -10.797 -9.849 0.634 680 2HB PRO 91 HB1 PRO 91 -10.186 -10.816 1.987 681 1HG PRO 91 HG2 PRO 91 -9.222 -8.184 0.979 682 2HG PRO 91 HG1 PRO 91 -9.100 -8.877 2.604 683 1HD PRO 91 HD2 PRO 91 -7.029 -8.769 0.682 684 2HD PRO 91 HD1 PRO 91 -7.016 -9.733 2.174 685 H HIS 92 HN HIS 92 -8.809 -8.869 -1.106 686 HA HIS 92 HA HIS 92 -10.341 -9.734 -3.482 687 1HB HIS 92 HB2 HIS 92 -8.979 -7.071 -3.000 688 2HB HIS 92 HB1 HIS 92 -10.244 -7.424 -4.177 689 HD2 HIS 92 HD2 HIS 92 -12.865 -7.384 -3.134 690 HE1 HIS 92 HE1 HIS 92 -11.802 -6.723 0.886 691 HE2 HIS 92 HE2 HIS 92 -13.732 -6.897 -0.734 692 H ARG 93 HN ARG 93 -7.696 -10.937 -2.871 693 HA ARG 93 HA ARG 93 -5.647 -9.861 -4.532 694 1HB ARG 93 HB2 ARG 93 -5.469 -11.761 -2.810 695 2HB ARG 93 HB1 ARG 93 -6.087 -12.818 -4.080 696 1HG ARG 93 HG2 ARG 93 -4.207 -12.461 -5.459 697 2HG ARG 93 HG1 ARG 93 -3.730 -11.007 -4.583 698 1HD ARG 93 HD2 ARG 93 -3.645 -12.820 -2.568 699 2HD ARG 93 HD1 ARG 93 -3.225 -13.855 -3.933 700 HE ARG 93 HE ARG 93 -1.643 -11.533 -2.976 701 1HH1 ARG 93 HH11 ARG 93 -1.553 -11.698 -5.959 702 2HH1 ARG 93 HH12 ARG 93 -0.213 -12.761 -6.229 703 1HH2 ARG 93 HH21 ARG 93 -0.165 -13.960 -2.978 704 2HH2 ARG 93 HH22 ARG 93 0.573 -14.040 -4.543 705 H GLY 94 HN GLY 94 -6.557 -9.204 -6.526 706 1HA GLY 94 HA2 GLY 94 -6.358 -10.435 -8.831 707 2HA GLY 94 HA1 GLY 94 -7.744 -11.344 -8.224 708 H ALA 95 HN ALA 95 -8.461 -8.655 -6.798 709 HA ALA 95 HA ALA 95 -10.119 -7.680 -9.044 710 1HB ALA 95 HB1 ALA 95 -10.122 -7.159 -6.066 711 2HB ALA 95 HB2 ALA 95 -11.354 -7.978 -7.026 712 3HB ALA 95 HB3 ALA 95 -11.129 -6.236 -7.182 713 H GLY 96 HN GLY 96 -7.296 -7.136 -9.171 714 1HA GLY 96 HA2 GLY 96 -5.927 -5.320 -9.754 715 2HA GLY 96 HA1 GLY 96 -7.378 -4.318 -9.730 716 H MET 97 HN MET 97 -6.579 -6.132 -6.871 717 HA MET 97 HA MET 97 -6.125 -3.580 -5.445 718 1HB MET 97 HB2 MET 97 -6.268 -6.379 -4.290 719 2HB MET 97 HB1 MET 97 -6.427 -4.856 -3.416 720 1HG MET 97 HG2 MET 97 -8.326 -4.802 -5.529 721 2HG MET 97 HG1 MET 97 -8.472 -6.373 -4.742 722 1HE MET 97 HE1 MET 97 -7.989 -2.512 -2.569 723 2HE MET 97 HE2 MET 97 -9.219 -2.265 -3.806 724 3HE MET 97 HE3 MET 97 -7.637 -2.895 -4.259 725 H VAL 98 HN VAL 98 -4.008 -3.936 -7.057 726 HA VAL 98 HA VAL 98 -1.858 -4.757 -5.161 727 HB VAL 98 HB VAL 98 -1.765 -5.377 -8.123 728 1HG1 VAL 98 1HG1 VAL 98 -0.195 -7.039 -6.346 729 2HG1 VAL 98 2HG1 VAL 98 0.176 -5.335 -6.078 730 3HG1 VAL 98 3HG1 VAL 98 0.347 -6.032 -7.690 731 1HG2 VAL 98 1HG2 VAL 98 -3.050 -6.816 -5.880 732 2HG2 VAL 98 2HG2 VAL 98 -1.978 -7.800 -6.876 733 3HG2 VAL 98 3HG2 VAL 98 -3.337 -6.952 -7.615 734 H GLY 99 HN GLY 99 -0.614 -2.976 -4.849 735 1HA GLY 99 HA2 GLY 99 -0.150 -1.181 -7.174 736 2HA GLY 99 HA1 GLY 99 -0.458 -0.529 -5.567 737 H LYS 100 HN LYS 100 1.861 0.270 -6.682 738 HA LYS 100 HA LYS 100 3.874 -1.132 -5.016 739 1HB LYS 100 HB2 LYS 100 4.401 -0.460 -7.924 740 2HB LYS 100 HB1 LYS 100 5.469 -1.322 -6.818 741 1HG LYS 100 HG2 LYS 100 3.738 -3.118 -6.619 742 2HG LYS 100 HG1 LYS 100 2.782 -2.281 -7.841 743 1HD LYS 100 HD2 LYS 100 4.535 -2.550 -9.489 744 2HD LYS 100 HD1 LYS 100 5.634 -3.207 -8.274 745 1HE LYS 100 HE2 LYS 100 4.624 -5.262 -8.275 746 2HE LYS 100 HE1 LYS 100 3.018 -4.587 -8.552 747 1HZ LYS 100 HZ1 LYS 100 3.592 -5.688 -10.522 748 2HZ LYS 100 HZ2 LYS 100 5.169 -5.059 -10.528 749 3HZ LYS 100 HZ3 LYS 100 3.846 -4.045 -10.858 750 H ILE 101 HN ILE 101 5.285 0.322 -4.079 751 HA ILE 101 HA ILE 101 4.842 3.176 -4.678 752 HB ILE 101 HB ILE 101 5.936 1.607 -2.421 753 1HG1 ILE 101 2HG1 ILE 101 4.474 4.225 -2.810 754 2HG1 ILE 101 1HG1 ILE 101 3.847 2.721 -2.136 755 1HG2 ILE 101 1HG2 ILE 101 7.147 4.293 -3.148 756 2HG2 ILE 101 2HG2 ILE 101 8.006 2.760 -3.013 757 3HG2 ILE 101 3HG2 ILE 101 7.317 3.513 -1.575 758 1HD1 ILE 101 HD11 ILE 101 5.175 4.894 -0.774 759 2HD1 ILE 101 HD12 ILE 101 6.100 3.407 -0.565 760 3HD1 ILE 101 HD13 ILE 101 4.405 3.465 -0.084 761 H THR 102 HN THR 102 6.380 4.517 -5.611 762 HA THR 102 HA THR 102 8.851 3.165 -6.620 763 HB THR 102 HB THR 102 7.818 5.640 -7.932 764 HG1 THR 102 HG1 THR 102 5.941 4.533 -7.884 765 1HG2 THR 102 1HG2 THR 102 9.600 4.959 -9.162 766 2HG2 THR 102 2HG2 THR 102 8.470 3.791 -9.848 767 3HG2 THR 102 3HG2 THR 102 9.530 3.318 -8.520 768 H VAL 103 HN VAL 103 10.235 3.788 -4.921 769 HA VAL 103 HA VAL 103 10.361 6.689 -4.279 770 HB VAL 103 HB VAL 103 11.865 4.434 -2.928 771 1HG1 VAL 103 1HG1 VAL 103 12.832 6.233 -1.944 772 2HG1 VAL 103 2HG1 VAL 103 11.294 6.437 -1.104 773 3HG1 VAL 103 3HG1 VAL 103 11.616 7.338 -2.586 774 1HG2 VAL 103 1HG2 VAL 103 10.004 4.707 -1.183 775 2HG2 VAL 103 2HG2 VAL 103 9.569 3.852 -2.663 776 3HG2 VAL 103 3HG2 VAL 103 9.093 5.535 -2.444 777 H ALA 104 HN ALA 104 12.366 7.830 -4.445 778 HA ALA 104 HA ALA 104 14.125 6.775 -6.571 779 1HB ALA 104 HB1 ALA 104 14.939 9.332 -5.470 780 2HB ALA 104 HB2 ALA 104 13.216 9.336 -5.846 781 3HB ALA 104 HB3 ALA 104 14.391 8.950 -7.103 782 H GLY 105 HN GLY 105 14.245 7.604 -3.139 783 1HA GLY 105 HA2 GLY 105 15.774 6.763 -1.532 784 2HA GLY 105 HA1 GLY 105 16.670 5.983 -2.838
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