NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
580435 | 2mdc | 19483 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 9 HT1 GLY 9 16.384 11.064 -3.539 2 H2 GLY 9 HT2 GLY 9 16.461 11.505 -5.176 3 H3 GLY 9 HT3 GLY 9 15.872 9.977 -4.734 4 HA2 GLY 9 HA1 GLY 9 14.583 12.544 -4.007 5 HA3 GLY 9 HA2 GLY 9 14.098 11.541 -5.367 6 H SER 10 HN SER 10 12.117 11.941 -3.799 7 HA SER 10 HA SER 10 12.026 9.959 -1.666 8 HB2 SER 10 HB2 SER 10 9.657 10.969 -1.393 9 HB3 SER 10 HB1 SER 10 11.039 12.006 -1.014 10 HG SER 10 HG SER 10 9.226 12.794 -2.494 11 H LYS 11 HN LYS 11 12.349 8.570 -3.925 12 HA LYS 11 HA LYS 11 9.684 7.776 -4.838 13 HB2 LYS 11 HB2 LYS 11 12.410 6.877 -5.806 14 HB3 LYS 11 HB1 LYS 11 10.867 6.443 -6.533 15 HG2 LYS 11 HG2 LYS 11 10.459 8.818 -7.027 16 HG3 LYS 11 HG1 LYS 11 12.042 9.210 -6.357 17 HD2 LYS 11 HD2 LYS 11 13.098 7.791 -8.072 18 HD3 LYS 11 HD1 LYS 11 11.501 7.452 -8.751 19 HE2 LYS 11 HE2 LYS 11 11.185 9.847 -9.178 20 HE3 LYS 11 HE1 LYS 11 12.784 10.174 -8.519 21 HZ1 LYS 11 HZ1 LYS 11 13.711 8.767 -10.300 22 HZ2 LYS 11 HZ2 LYS 11 12.895 10.131 -10.886 23 HZ3 LYS 11 HZ3 LYS 11 12.156 8.612 -10.964 24 HA PRO 12 HA PRO 12 9.802 4.682 -1.695 25 HB2 PRO 12 HB2 PRO 12 7.348 3.820 -1.928 26 HB3 PRO 12 HB1 PRO 12 7.667 5.497 -1.459 27 HG2 PRO 12 HG2 PRO 12 7.196 4.393 -4.165 28 HG3 PRO 12 HG1 PRO 12 6.231 5.642 -3.355 29 HD2 PRO 12 HD2 PRO 12 8.142 6.372 -5.024 30 HD3 PRO 12 HD1 PRO 12 7.962 7.214 -3.461 31 H LYS 13 HN LYS 13 9.669 2.458 -1.356 32 HA LYS 13 HA LYS 13 9.749 0.791 -3.750 33 HB2 LYS 13 HB2 LYS 13 11.530 0.542 -1.327 34 HB3 LYS 13 HB1 LYS 13 11.484 -0.595 -2.663 35 HG2 LYS 13 HG2 LYS 13 12.292 2.298 -2.862 36 HG3 LYS 13 HG1 LYS 13 13.392 0.920 -2.818 37 HD2 LYS 13 HD2 LYS 13 12.455 0.079 -4.896 38 HD3 LYS 13 HD1 LYS 13 11.283 1.397 -4.922 39 HE2 LYS 13 HE2 LYS 13 14.284 1.682 -5.093 40 HE3 LYS 13 HE1 LYS 13 13.156 1.837 -6.435 41 HZ1 LYS 13 HZ1 LYS 13 13.727 4.006 -5.689 42 HZ2 LYS 13 HZ2 LYS 13 13.385 3.624 -4.072 43 HZ3 LYS 13 HZ3 LYS 13 12.129 3.719 -5.203 44 H THR 14 HN THR 14 9.389 -1.559 -3.166 45 HA THR 14 HA THR 14 7.017 -1.636 -1.474 46 HB THR 14 HB THR 14 6.694 -3.934 -2.461 47 HG1 THR 14 HG1 THR 14 9.145 -3.259 -3.620 48 HG21 THR 14 HG21 THR 14 6.952 -1.680 -4.451 49 HG22 THR 14 HG22 THR 14 5.575 -1.953 -3.383 50 HG23 THR 14 HG23 THR 14 5.963 -3.129 -4.639 51 H ILE 15 HN ILE 15 7.974 -1.577 0.540 52 HA ILE 15 HA ILE 15 9.970 -3.606 1.182 53 HB ILE 15 HB ILE 15 9.390 -1.157 2.814 54 HG12 ILE 15 HG12 ILE 15 11.114 -1.315 0.345 55 HG13 ILE 15 HG11 ILE 15 9.606 -0.439 0.462 56 HG21 ILE 15 HG21 ILE 15 10.888 -2.832 3.751 57 HG22 ILE 15 HG22 ILE 15 11.775 -1.359 3.362 58 HG23 ILE 15 HG23 ILE 15 11.894 -2.765 2.304 59 HD11 ILE 15 HD11 ILE 15 10.599 1.045 2.130 60 HD12 ILE 15 HD12 ILE 15 11.504 1.062 0.618 61 HD13 ILE 15 HD13 ILE 15 12.121 0.167 2.005 62 H VAL 16 HN VAL 16 9.102 -5.293 2.192 63 HA VAL 16 HA VAL 16 6.657 -4.875 3.743 64 HB VAL 16 HB VAL 16 7.894 -7.444 2.752 65 HG11 VAL 16 HG11 VAL 16 5.791 -8.506 3.397 66 HG12 VAL 16 HG12 VAL 16 5.222 -6.976 4.065 67 HG13 VAL 16 HG13 VAL 16 6.603 -7.794 4.792 68 HG21 VAL 16 HG21 VAL 16 5.922 -7.470 1.228 69 HG22 VAL 16 HG22 VAL 16 7.104 -6.207 0.901 70 HG23 VAL 16 HG23 VAL 16 5.596 -5.808 1.723 71 H LEU 17 HN LEU 17 7.213 -4.288 5.787 72 HA LEU 17 HA LEU 17 9.022 -5.908 7.330 73 HB2 LEU 17 HB2 LEU 17 6.877 -3.953 8.130 74 HB3 LEU 17 HB1 LEU 17 7.931 -4.737 9.270 75 HG LEU 17 HG LEU 17 9.792 -3.665 7.845 76 HD11 LEU 17 HD11 LEU 17 9.120 -1.465 6.915 77 HD12 LEU 17 HD12 LEU 17 7.439 -1.971 7.094 78 HD13 LEU 17 HD13 LEU 17 8.514 -2.854 6.013 79 HD21 LEU 17 HD21 LEU 17 9.336 -3.115 10.171 80 HD22 LEU 17 HD22 LEU 17 8.065 -2.005 9.658 81 HD23 LEU 17 HD23 LEU 17 9.747 -1.673 9.246 82 HA PRO 18 HA PRO 18 6.960 -9.605 7.938 83 HB2 PRO 18 HB2 PRO 18 6.469 -8.867 10.796 84 HB3 PRO 18 HB1 PRO 18 7.044 -10.391 10.110 85 HG2 PRO 18 HG2 PRO 18 8.731 -8.592 11.191 86 HG3 PRO 18 HG1 PRO 18 9.188 -9.607 9.814 87 HD2 PRO 18 HD2 PRO 18 8.666 -6.715 9.908 88 HD3 PRO 18 HD1 PRO 18 9.529 -7.665 8.685 89 HA PRO 19 HA PRO 19 2.587 -8.341 8.620 90 HB2 PRO 19 HB2 PRO 19 1.723 -7.190 10.901 91 HB3 PRO 19 HB1 PRO 19 2.313 -8.855 10.857 92 HG2 PRO 19 HG2 PRO 19 3.549 -6.501 12.073 93 HG3 PRO 19 HG1 PRO 19 3.964 -8.209 12.281 94 HD2 PRO 19 HD2 PRO 19 5.168 -6.202 10.489 95 HD3 PRO 19 HD1 PRO 19 5.817 -7.770 11.020 96 H ASN 20 HN ASN 20 3.426 -5.332 10.388 97 HA ASN 20 HA ASN 20 1.959 -3.883 8.329 98 HB2 ASN 20 HB2 ASN 20 2.050 -2.493 10.873 99 HB3 ASN 20 HB1 ASN 20 0.698 -2.816 9.842 100 HD21 ASN 20 HD21 ASN 20 1.119 -2.803 12.651 101 HD22 ASN 20 HD22 ASN 20 0.571 -4.319 13.203 102 H TRP 21 HN TRP 21 2.454 -1.372 9.500 103 HA TRP 21 HA TRP 21 3.903 0.364 9.446 104 HB2 TRP 21 HB2 TRP 21 5.391 -1.061 10.815 105 HB3 TRP 21 HB1 TRP 21 6.036 -1.746 9.337 106 HD1 TRP 21 HD1 TRP 21 7.412 0.172 7.726 107 HE1 TRP 21 HE1 TRP 21 8.948 2.078 8.511 108 HE3 TRP 21 HE3 TRP 21 5.890 0.501 12.601 109 HZ2 TRP 21 HZ2 TRP 21 9.460 3.522 10.873 110 HZ3 TRP 21 HZ3 TRP 21 6.959 2.173 14.058 111 HH2 TRP 21 HH2 TRP 21 8.709 3.650 13.210 112 H LYS 22 HN LYS 22 3.341 -1.849 7.253 113 HA LYS 22 HA LYS 22 4.926 -0.669 5.092 114 HB2 LYS 22 HB2 LYS 22 4.427 -3.035 4.075 115 HB3 LYS 22 HB1 LYS 22 5.790 -2.759 5.154 116 HG2 LYS 22 HG2 LYS 22 4.818 -3.836 6.863 117 HG3 LYS 22 HG1 LYS 22 3.177 -3.487 6.319 118 HD2 LYS 22 HD2 LYS 22 5.047 -5.348 4.843 119 HD3 LYS 22 HD1 LYS 22 3.970 -5.912 6.119 120 HE2 LYS 22 HE2 LYS 22 2.744 -4.292 3.968 121 HE3 LYS 22 HE1 LYS 22 3.301 -5.905 3.525 122 HZ1 LYS 22 HZ1 LYS 22 1.510 -5.361 5.824 123 HZ2 LYS 22 HZ2 LYS 22 1.925 -6.874 5.188 124 HZ3 LYS 22 HZ3 LYS 22 0.956 -5.809 4.286 125 H THR 23 HN THR 23 3.987 -1.410 2.908 126 HA THR 23 HA THR 23 1.099 -1.309 2.754 127 HB THR 23 HB THR 23 1.261 0.230 0.866 128 HG1 THR 23 HG1 THR 23 3.333 1.155 0.370 129 HG21 THR 23 HG21 THR 23 2.708 1.122 3.348 130 HG22 THR 23 HG22 THR 23 0.986 1.300 2.990 131 HG23 THR 23 HG23 THR 23 2.179 2.239 2.085 132 H ALA 24 HN ALA 24 0.384 -2.816 1.433 133 HA ALA 24 HA ALA 24 1.943 -3.857 -0.780 134 HB1 ALA 24 HB1 ALA 24 2.554 -5.768 0.126 135 HB2 ALA 24 HB2 ALA 24 0.887 -6.074 0.592 136 HB3 ALA 24 HB3 ALA 24 1.947 -5.186 1.682 137 H ARG 25 HN ARG 25 0.700 -5.332 -2.156 138 HA ARG 25 HA ARG 25 -2.177 -4.955 -1.865 139 HB2 ARG 25 HB2 ARG 25 -2.281 -5.785 -4.257 140 HB3 ARG 25 HB1 ARG 25 -1.571 -4.216 -3.995 141 HG2 ARG 25 HG2 ARG 25 0.667 -5.156 -4.180 142 HG3 ARG 25 HG1 ARG 25 -0.046 -6.754 -4.431 143 HD2 ARG 25 HD2 ARG 25 0.504 -5.867 -6.571 144 HD3 ARG 25 HD1 ARG 25 -1.241 -5.825 -6.373 145 HE ARG 25 HE ARG 25 -0.700 -3.368 -5.656 146 HH11 ARG 25 HH11 ARG 25 0.754 -5.219 -8.250 147 HH12 ARG 25 HH12 ARG 25 0.964 -3.834 -9.279 148 HH21 ARG 25 HH21 ARG 25 -0.413 -1.560 -7.005 149 HH22 ARG 25 HH22 ARG 25 0.310 -1.761 -8.579 150 H ASP 26 HN ASP 26 -3.547 -6.525 -1.876 151 HA ASP 26 HA ASP 26 -2.633 -9.177 -1.179 152 HB2 ASP 26 HB2 ASP 26 -5.321 -7.842 -1.364 153 HB3 ASP 26 HB1 ASP 26 -5.215 -9.596 -1.239 154 HA PRO 27 HA PRO 27 -2.838 -11.458 -4.945 155 HB2 PRO 27 HB2 PRO 27 -5.310 -12.807 -4.898 156 HB3 PRO 27 HB1 PRO 27 -3.758 -13.419 -4.327 157 HG2 PRO 27 HG2 PRO 27 -5.986 -12.170 -2.797 158 HG3 PRO 27 HG1 PRO 27 -4.878 -13.468 -2.315 159 HD2 PRO 27 HD2 PRO 27 -4.583 -11.002 -1.353 160 HD3 PRO 27 HD1 PRO 27 -3.163 -11.975 -1.799 161 H GLU 28 HN GLU 28 -5.642 -9.494 -4.245 162 HA GLU 28 HA GLU 28 -6.685 -9.669 -6.939 163 HB2 GLU 28 HB2 GLU 28 -8.287 -7.912 -6.008 164 HB3 GLU 28 HB1 GLU 28 -8.349 -9.519 -5.296 165 HG2 GLU 28 HG2 GLU 28 -7.137 -8.800 -3.379 166 HG3 GLU 28 HG1 GLU 28 -6.782 -7.237 -4.116 167 H GLY 29 HN GLY 29 -4.211 -7.969 -5.506 168 HA2 GLY 29 HA2 GLY 29 -2.851 -6.407 -6.551 169 HA3 GLY 29 HA1 GLY 29 -4.091 -6.152 -7.765 170 H LYS 30 HN LYS 30 -5.232 -5.994 -4.576 171 HA LYS 30 HA LYS 30 -5.397 -3.070 -4.854 172 HB2 LYS 30 HB2 LYS 30 -7.563 -4.301 -4.704 173 HB3 LYS 30 HB1 LYS 30 -7.093 -4.874 -3.109 174 HG2 LYS 30 HG2 LYS 30 -7.120 -2.656 -2.222 175 HG3 LYS 30 HG1 LYS 30 -7.342 -1.961 -3.827 176 HD2 LYS 30 HD2 LYS 30 -9.444 -1.954 -2.628 177 HD3 LYS 30 HD1 LYS 30 -9.534 -3.083 -3.979 178 HE2 LYS 30 HE2 LYS 30 -9.110 -4.945 -2.440 179 HE3 LYS 30 HE1 LYS 30 -9.029 -3.808 -1.096 180 HZ1 LYS 30 HZ1 LYS 30 -11.413 -4.216 -2.821 181 HZ2 LYS 30 HZ2 LYS 30 -11.321 -3.224 -1.451 182 HZ3 LYS 30 HZ3 LYS 30 -11.201 -4.909 -1.289 183 H ILE 31 HN ILE 31 -4.581 -1.772 -3.436 184 HA ILE 31 HA ILE 31 -2.593 -2.837 -1.668 185 HB ILE 31 HB ILE 31 -2.616 -0.706 -3.213 186 HG12 ILE 31 HG12 ILE 31 -0.698 -1.682 -1.959 187 HG13 ILE 31 HG11 ILE 31 -0.663 0.052 -2.070 188 HG21 ILE 31 HG21 ILE 31 -2.852 1.354 -1.928 189 HG22 ILE 31 HG22 ILE 31 -3.429 0.420 -0.549 190 HG23 ILE 31 HG23 ILE 31 -4.373 0.467 -2.037 191 HD11 ILE 31 HD11 ILE 31 -1.010 -1.666 0.286 192 HD12 ILE 31 HD12 ILE 31 -1.778 -0.084 0.289 193 HD13 ILE 31 HD13 ILE 31 -0.031 -0.215 0.075 194 H TYR 32 HN TYR 32 -2.337 -2.414 0.412 195 HA TYR 32 HA TYR 32 -4.489 -1.361 2.039 196 HB2 TYR 32 HB2 TYR 32 -3.539 -4.233 2.197 197 HB3 TYR 32 HB1 TYR 32 -4.231 -3.407 3.587 198 HD1 TYR 32 HD2 TYR 32 -6.598 -2.770 3.599 199 HD2 TYR 32 HD1 TYR 32 -4.930 -5.020 0.397 200 HE1 TYR 32 HE2 TYR 32 -8.856 -3.435 2.896 201 HE2 TYR 32 HE1 TYR 32 -7.186 -5.695 -0.309 202 HH TYR 32 HH TYR 32 -9.400 -5.941 0.630 203 H TYR 33 HN TYR 33 -3.580 -0.591 3.995 204 HA TYR 33 HA TYR 33 -0.737 -0.999 4.208 205 HB2 TYR 33 HB2 TYR 33 -1.107 1.705 4.785 206 HB3 TYR 33 HB1 TYR 33 -0.269 1.032 3.415 207 HD1 TYR 33 HD2 TYR 33 -3.753 1.888 4.496 208 HD2 TYR 33 HD1 TYR 33 -0.917 1.733 1.331 209 HE1 TYR 33 HE2 TYR 33 -5.369 2.981 3.004 210 HE2 TYR 33 HE1 TYR 33 -2.523 2.828 -0.168 211 HH TYR 33 HH TYR 33 -5.176 4.448 0.857 212 H TYR 34 HN TYR 34 -0.000 -0.876 6.252 213 HA TYR 34 HA TYR 34 -1.846 -0.087 8.396 214 HB2 TYR 34 HB2 TYR 34 -0.402 -2.760 8.284 215 HB3 TYR 34 HB1 TYR 34 -1.252 -2.139 9.692 216 HD1 TYR 34 HD2 TYR 34 -1.636 -3.563 6.325 217 HD2 TYR 34 HD1 TYR 34 -3.657 -2.206 9.810 218 HE1 TYR 34 HE2 TYR 34 -3.702 -4.647 5.543 219 HE2 TYR 34 HE1 TYR 34 -5.724 -3.285 9.041 220 HH TYR 34 HH TYR 34 -6.735 -4.026 6.921 221 H HIS 35 HN HIS 35 -0.775 0.794 10.169 222 HA HIS 35 HA HIS 35 2.170 0.654 10.021 223 HB2 HIS 35 HB2 HIS 35 0.355 2.704 11.314 224 HB3 HIS 35 HB1 HIS 35 2.065 2.589 11.703 225 HD1 HIS 35 HD1 HIS 35 0.458 4.976 10.214 226 HD2 HIS 35 HD2 HIS 35 3.091 2.242 8.513 227 HE1 HIS 35 HE1 HIS 35 1.348 6.090 8.146 228 HE2 HIS 35 HE2 HIS 35 3.108 4.519 7.272 229 H VAL 36 HN VAL 36 3.261 -0.346 11.557 230 HA VAL 36 HA VAL 36 2.053 -2.326 13.053 231 HB VAL 36 HB VAL 36 4.806 -1.202 12.948 232 HG11 VAL 36 HG11 VAL 36 3.947 -3.301 14.937 233 HG12 VAL 36 HG12 VAL 36 4.560 -1.692 15.321 234 HG13 VAL 36 HG13 VAL 36 5.612 -2.878 14.547 235 HG21 VAL 36 HG21 VAL 36 5.321 -3.199 11.905 236 HG22 VAL 36 HG22 VAL 36 3.650 -2.923 11.356 237 HG23 VAL 36 HG23 VAL 36 3.987 -4.058 12.676 238 H ILE 37 HN ILE 37 2.528 0.952 14.047 239 HA ILE 37 HA ILE 37 3.118 0.650 16.747 240 HB ILE 37 HB ILE 37 1.910 2.899 17.005 241 HG12 ILE 37 HG12 ILE 37 1.838 2.701 13.984 242 HG13 ILE 37 HG11 ILE 37 0.410 2.591 15.014 243 HG21 ILE 37 HG21 ILE 37 4.145 2.603 15.008 244 HG22 ILE 37 HG22 ILE 37 4.313 2.678 16.761 245 HG23 ILE 37 HG23 ILE 37 3.727 4.082 15.869 246 HD11 ILE 37 HD11 ILE 37 0.806 4.866 15.800 247 HD12 ILE 37 HD12 ILE 37 0.646 4.807 14.044 248 HD13 ILE 37 HD13 ILE 37 2.240 4.974 14.780 249 H THR 38 HN THR 38 -0.119 1.143 15.358 250 HA THR 38 HA THR 38 -1.270 0.005 17.797 251 HB THR 38 HB THR 38 -3.380 1.278 17.027 252 HG1 THR 38 HG1 THR 38 -2.375 3.351 15.937 253 HG21 THR 38 HG21 THR 38 -0.979 2.806 18.036 254 HG22 THR 38 HG22 THR 38 -2.117 1.889 19.022 255 HG23 THR 38 HG23 THR 38 -2.656 3.336 18.169 256 H ARG 39 HN ARG 39 -0.370 -0.781 14.877 257 HA ARG 39 HA ARG 39 -0.966 -2.216 13.221 258 HB2 ARG 39 HB2 ARG 39 -3.225 -3.123 15.009 259 HB3 ARG 39 HB1 ARG 39 -2.375 -4.055 13.775 260 HG2 ARG 39 HG2 ARG 39 -0.455 -4.266 15.085 261 HG3 ARG 39 HG1 ARG 39 -0.938 -2.943 16.160 262 HD2 ARG 39 HD2 ARG 39 -2.855 -4.404 16.896 263 HD3 ARG 39 HD1 ARG 39 -2.136 -5.714 15.961 264 HE ARG 39 HE ARG 39 -0.203 -4.647 17.710 265 HH11 ARG 39 HH11 ARG 39 -3.088 -6.651 17.712 266 HH12 ARG 39 HH12 ARG 39 -2.693 -7.425 19.220 267 HH21 ARG 39 HH21 ARG 39 0.308 -5.655 19.673 268 HH22 ARG 39 HH22 ARG 39 -0.746 -6.873 20.324 269 H GLN 40 HN GLN 40 -1.886 0.399 13.308 270 HA GLN 40 HA GLN 40 -4.652 0.584 12.752 271 HB2 GLN 40 HB2 GLN 40 -4.014 2.960 12.126 272 HB3 GLN 40 HB1 GLN 40 -3.796 2.474 13.791 273 HG2 GLN 40 HG2 GLN 40 -1.699 3.153 13.641 274 HG3 GLN 40 HG1 GLN 40 -1.444 1.821 12.511 275 HE21 GLN 40 HE21 GLN 40 -3.329 3.005 10.641 276 HE22 GLN 40 HE22 GLN 40 -2.457 4.260 9.836 277 H THR 41 HN THR 41 -5.599 1.387 11.050 278 HA THR 41 HA THR 41 -4.299 0.846 8.465 279 HB THR 41 HB THR 41 -7.267 0.860 8.745 280 HG1 THR 41 HG1 THR 41 -5.531 -0.958 9.933 281 HG21 THR 41 HG21 THR 41 -5.191 -0.476 7.047 282 HG22 THR 41 HG22 THR 41 -6.490 0.611 6.537 283 HG23 THR 41 HG23 THR 41 -6.865 -1.038 7.050 284 H GLN 42 HN GLN 42 -5.080 2.252 6.677 285 HA GLN 42 HA GLN 42 -5.893 4.893 7.647 286 HB2 GLN 42 HB2 GLN 42 -3.726 4.562 5.574 287 HB3 GLN 42 HB1 GLN 42 -4.141 6.004 6.484 288 HG2 GLN 42 HG2 GLN 42 -2.226 5.412 7.550 289 HG3 GLN 42 HG1 GLN 42 -3.383 4.510 8.525 290 HE21 GLN 42 HE21 GLN 42 -3.709 2.732 6.070 291 HE22 GLN 42 HE22 GLN 42 -2.409 1.593 6.211 292 H TRP 43 HN TRP 43 -6.646 6.275 5.930 293 HA TRP 43 HA TRP 43 -7.716 4.819 3.605 294 HB2 TRP 43 HB2 TRP 43 -8.766 6.806 5.445 295 HB3 TRP 43 HB1 TRP 43 -8.935 7.289 3.770 296 HD1 TRP 43 HD1 TRP 43 -10.165 4.700 6.279 297 HE1 TRP 43 HE1 TRP 43 -12.195 3.458 5.295 298 HE3 TRP 43 HE3 TRP 43 -10.022 6.583 1.529 299 HZ2 TRP 43 HZ2 TRP 43 -13.547 3.303 2.817 300 HZ3 TRP 43 HZ3 TRP 43 -11.716 5.834 -0.087 301 HH2 TRP 43 HH2 TRP 43 -13.441 4.227 0.543 302 H ASP 44 HN ASP 44 -5.415 6.766 4.657 303 HA ASP 44 HA ASP 44 -4.962 8.889 3.005 304 HB2 ASP 44 HB2 ASP 44 -3.544 7.784 4.955 305 HB3 ASP 44 HB1 ASP 44 -2.662 7.073 3.611 306 HA PRO 45 HA PRO 45 -4.642 8.031 -1.304 307 HB2 PRO 45 HB2 PRO 45 -1.809 8.887 -0.825 308 HB3 PRO 45 HB1 PRO 45 -2.897 9.321 -2.148 309 HG2 PRO 45 HG2 PRO 45 -2.491 10.917 0.012 310 HG3 PRO 45 HG1 PRO 45 -4.012 10.885 -0.897 311 HD2 PRO 45 HD2 PRO 45 -3.491 10.002 1.818 312 HD3 PRO 45 HD1 PRO 45 -5.046 10.130 0.972 313 HA PRO 46 HA PRO 46 -3.315 3.751 -1.136 314 HB2 PRO 46 HB2 PRO 46 -3.656 4.161 -4.069 315 HB3 PRO 46 HB1 PRO 46 -4.268 2.860 -3.037 316 HG2 PRO 46 HG2 PRO 46 -5.891 4.798 -3.873 317 HG3 PRO 46 HG1 PRO 46 -6.022 4.145 -2.230 318 HD2 PRO 46 HD2 PRO 46 -4.892 6.741 -3.152 319 HD3 PRO 46 HD1 PRO 46 -5.737 6.347 -1.641 320 H THR 47 HN THR 47 -1.252 3.083 -1.046 321 HA THR 47 HA THR 47 0.540 3.715 -3.207 322 HB THR 47 HB THR 47 2.297 4.160 -1.240 323 HG1 THR 47 HG1 THR 47 -0.097 5.397 -0.279 324 HG21 THR 47 HG21 THR 47 1.498 5.515 -3.297 325 HG22 THR 47 HG22 THR 47 2.340 6.351 -1.985 326 HG23 THR 47 HG23 THR 47 0.582 6.449 -2.110 327 H TRP 48 HN TRP 48 1.164 1.991 -3.845 328 HA TRP 48 HA TRP 48 1.242 -0.430 -2.318 329 HB2 TRP 48 HB2 TRP 48 0.560 -0.333 -4.632 330 HB3 TRP 48 HB1 TRP 48 2.119 0.302 -5.082 331 HD1 TRP 48 HD1 TRP 48 1.232 -2.833 -2.964 332 HE1 TRP 48 HE1 TRP 48 2.500 -4.845 -3.958 333 HE3 TRP 48 HE3 TRP 48 3.439 -0.502 -6.940 334 HZ2 TRP 48 HZ2 TRP 48 4.205 -5.362 -6.151 335 HZ3 TRP 48 HZ3 TRP 48 4.869 -1.826 -8.439 336 HH2 TRP 48 HH2 TRP 48 5.241 -4.204 -8.051 337 H GLU 49 HN GLU 49 3.184 2.150 -2.714 338 HA GLU 49 HA GLU 49 5.654 0.640 -2.371 339 HB2 GLU 49 HB2 GLU 49 5.068 3.299 -3.637 340 HB3 GLU 49 HB1 GLU 49 6.696 2.790 -3.218 341 HG2 GLU 49 HG2 GLU 49 6.647 1.013 -4.765 342 HG3 GLU 49 HG1 GLU 49 4.901 1.129 -4.960 343 H SER 50 HN SER 50 7.261 2.641 -1.418 344 HA SER 50 HA SER 50 6.219 3.653 1.012 345 HB2 SER 50 HB2 SER 50 5.881 1.326 1.568 346 HB3 SER 50 HB1 SER 50 7.526 0.934 1.067 347 HG SER 50 HG SER 50 6.691 1.651 3.467 348 HA PRO 51 HA PRO 51 10.444 5.294 0.685 349 HB2 PRO 51 HB2 PRO 51 9.875 7.638 1.718 350 HB3 PRO 51 HB1 PRO 51 9.334 7.267 0.072 351 HG2 PRO 51 HG2 PRO 51 7.810 6.992 2.642 352 HG3 PRO 51 HG1 PRO 51 7.323 7.895 1.194 353 HD2 PRO 51 HD2 PRO 51 6.465 5.419 1.701 354 HD3 PRO 51 HD1 PRO 51 6.835 5.941 0.044 355 H GLY 52 HN GLY 52 9.141 3.622 2.777 356 HA2 GLY 52 HA2 GLY 52 9.652 3.053 4.982 357 HA3 GLY 52 HA1 GLY 52 10.403 4.634 5.159 358 H ASP 53 HN ASP 53 8.836 6.491 4.773 359 HA ASP 53 HA ASP 53 6.104 6.294 4.685 360 HB2 ASP 53 HB2 ASP 53 6.356 5.288 7.013 361 HB3 ASP 53 HB1 ASP 53 6.957 6.855 7.547 362 H ASP 54 HN ASP 54 6.140 8.053 3.440 363 HA ASP 54 HA ASP 54 6.805 10.631 4.526 364 HB2 ASP 54 HB2 ASP 54 8.971 9.380 3.683 365 HB3 ASP 54 HB1 ASP 54 8.355 9.849 2.106 366 H ALA 55 HN ALA 55 7.087 11.977 2.063 367 HA ALA 55 HA ALA 55 4.305 11.860 1.197 368 HB1 ALA 55 HB1 ALA 55 4.776 14.007 0.117 369 HB2 ALA 55 HB2 ALA 55 6.479 13.852 0.553 370 HB3 ALA 55 HB3 ALA 55 5.257 14.016 1.814 371 H SER 56 HN SER 56 5.581 9.646 0.295 372 HA SER 56 HA SER 56 6.303 10.077 -2.486 373 HB2 SER 56 HB2 SER 56 6.188 7.591 -0.764 374 HB3 SER 56 HB1 SER 56 6.661 7.578 -2.464 375 HG SER 56 HG SER 56 8.388 8.964 -1.931 Start of MODEL 2 1 H1 GLY 9 HT1 GLY 9 12.058 14.453 -5.607 2 H2 GLY 9 HT2 GLY 9 12.647 13.499 -4.332 3 H3 GLY 9 HT3 GLY 9 11.132 13.165 -5.017 4 HA2 GLY 9 HA1 GLY 9 12.052 12.388 -7.012 5 HA3 GLY 9 HA2 GLY 9 13.626 13.055 -6.601 6 H SER 10 HN SER 10 11.239 10.877 -5.074 7 HA SER 10 HA SER 10 13.417 8.986 -4.575 8 HB2 SER 10 HB2 SER 10 12.075 8.827 -2.218 9 HB3 SER 10 HB1 SER 10 13.510 9.824 -2.466 10 HG SER 10 HG SER 10 11.025 10.611 -1.839 11 H LYS 11 HN LYS 11 12.283 7.864 -6.325 12 HA LYS 11 HA LYS 11 9.574 7.025 -5.908 13 HB2 LYS 11 HB2 LYS 11 10.604 7.332 -8.163 14 HB3 LYS 11 HB1 LYS 11 11.588 5.905 -7.868 15 HG2 LYS 11 HG2 LYS 11 9.692 4.489 -7.842 16 HG3 LYS 11 HG1 LYS 11 8.585 5.861 -7.775 17 HD2 LYS 11 HD2 LYS 11 9.310 6.538 -10.021 18 HD3 LYS 11 HD1 LYS 11 10.386 5.140 -10.087 19 HE2 LYS 11 HE2 LYS 11 8.527 3.631 -9.977 20 HE3 LYS 11 HE1 LYS 11 7.406 4.958 -9.684 21 HZ1 LYS 11 HZ1 LYS 11 8.990 4.604 -12.173 22 HZ2 LYS 11 HZ2 LYS 11 7.810 5.789 -11.886 23 HZ3 LYS 11 HZ3 LYS 11 7.365 4.154 -11.986 24 HA PRO 12 HA PRO 12 10.548 3.833 -3.024 25 HB2 PRO 12 HB2 PRO 12 8.070 2.857 -2.781 26 HB3 PRO 12 HB1 PRO 12 8.572 4.402 -2.077 27 HG2 PRO 12 HG2 PRO 12 7.213 3.879 -4.677 28 HG3 PRO 12 HG1 PRO 12 6.745 5.027 -3.415 29 HD2 PRO 12 HD2 PRO 12 8.067 5.849 -5.539 30 HD3 PRO 12 HD1 PRO 12 8.479 6.475 -3.926 31 H LYS 13 HN LYS 13 10.612 1.659 -2.754 32 HA LYS 13 HA LYS 13 10.122 -0.009 -5.098 33 HB2 LYS 13 HB2 LYS 13 12.199 -0.311 -2.934 34 HB3 LYS 13 HB1 LYS 13 11.903 -1.498 -4.191 35 HG2 LYS 13 HG2 LYS 13 12.667 -0.008 -5.885 36 HG3 LYS 13 HG1 LYS 13 12.739 1.337 -4.743 37 HD2 LYS 13 HD2 LYS 13 14.398 -1.172 -4.536 38 HD3 LYS 13 HD1 LYS 13 14.957 0.341 -5.254 39 HE2 LYS 13 HE2 LYS 13 14.536 1.481 -3.107 40 HE3 LYS 13 HE1 LYS 13 14.050 -0.062 -2.406 41 HZ1 LYS 13 HZ1 LYS 13 16.728 0.421 -3.593 42 HZ2 LYS 13 HZ2 LYS 13 16.234 -0.911 -2.661 43 HZ3 LYS 13 HZ3 LYS 13 16.382 0.617 -1.943 44 H THR 14 HN THR 14 9.708 -2.335 -4.419 45 HA THR 14 HA THR 14 7.540 -2.234 -2.505 46 HB THR 14 HB THR 14 7.132 -4.614 -3.299 47 HG1 THR 14 HG1 THR 14 9.537 -4.314 -4.323 48 HG21 THR 14 HG21 THR 14 7.164 -2.436 -5.392 49 HG22 THR 14 HG22 THR 14 5.900 -2.685 -4.186 50 HG23 THR 14 HG23 THR 14 6.181 -3.899 -5.433 51 H ILE 15 HN ILE 15 8.893 -1.924 -0.720 52 HA ILE 15 HA ILE 15 10.725 -4.025 0.060 53 HB ILE 15 HB ILE 15 10.129 -1.479 1.542 54 HG12 ILE 15 HG12 ILE 15 12.019 -1.825 -0.782 55 HG13 ILE 15 HG11 ILE 15 10.451 -1.045 -0.910 56 HG21 ILE 15 HG21 ILE 15 11.570 -3.096 2.659 57 HG22 ILE 15 HG22 ILE 15 12.497 -1.673 2.182 58 HG23 ILE 15 HG23 ILE 15 12.620 -3.162 1.243 59 HD11 ILE 15 HD11 ILE 15 12.205 0.612 -0.749 60 HD12 ILE 15 HD12 ILE 15 12.806 -0.114 0.740 61 HD13 ILE 15 HD13 ILE 15 11.221 0.658 0.715 62 H VAL 16 HN VAL 16 10.130 -5.579 1.422 63 HA VAL 16 HA VAL 16 7.518 -5.344 2.694 64 HB VAL 16 HB VAL 16 9.317 -7.765 2.587 65 HG11 VAL 16 HG11 VAL 16 7.260 -9.014 3.062 66 HG12 VAL 16 HG12 VAL 16 6.378 -7.492 3.188 67 HG13 VAL 16 HG13 VAL 16 7.648 -7.873 4.351 68 HG21 VAL 16 HG21 VAL 16 7.760 -8.523 0.776 69 HG22 VAL 16 HG22 VAL 16 8.850 -7.208 0.349 70 HG23 VAL 16 HG23 VAL 16 7.156 -6.864 0.705 71 H LEU 17 HN LEU 17 7.569 -4.336 4.579 72 HA LEU 17 HA LEU 17 9.607 -4.874 6.555 73 HB2 LEU 17 HB2 LEU 17 7.076 -3.269 6.580 74 HB3 LEU 17 HB1 LEU 17 8.030 -3.514 8.021 75 HG LEU 17 HG LEU 17 9.877 -2.588 6.291 76 HD11 LEU 17 HD11 LEU 17 7.315 -1.161 5.642 77 HD12 LEU 17 HD12 LEU 17 8.244 -2.179 4.542 78 HD13 LEU 17 HD13 LEU 17 8.927 -0.664 5.133 79 HD21 LEU 17 HD21 LEU 17 9.535 -1.864 8.587 80 HD22 LEU 17 HD22 LEU 17 8.078 -0.984 8.102 81 HD23 LEU 17 HD23 LEU 17 9.663 -0.474 7.509 82 HA PRO 18 HA PRO 18 7.498 -8.060 9.088 83 HB2 PRO 18 HB2 PRO 18 7.011 -6.192 11.225 84 HB3 PRO 18 HB1 PRO 18 8.201 -7.491 11.178 85 HG2 PRO 18 HG2 PRO 18 8.541 -4.611 10.639 86 HG3 PRO 18 HG1 PRO 18 9.740 -5.806 11.158 87 HD2 PRO 18 HD2 PRO 18 9.740 -4.798 8.667 88 HD3 PRO 18 HD1 PRO 18 10.178 -6.491 8.983 89 HA PRO 19 HA PRO 19 3.455 -7.549 7.961 90 HB2 PRO 19 HB2 PRO 19 1.873 -8.378 10.041 91 HB3 PRO 19 HB1 PRO 19 2.807 -9.456 9.001 92 HG2 PRO 19 HG2 PRO 19 3.486 -8.388 11.713 93 HG3 PRO 19 HG1 PRO 19 3.685 -10.032 11.072 94 HD2 PRO 19 HD2 PRO 19 5.753 -8.330 11.243 95 HD3 PRO 19 HD1 PRO 19 5.600 -9.472 9.891 96 H ASN 20 HN ASN 20 4.423 -5.196 9.968 97 HA ASN 20 HA ASN 20 2.071 -3.695 9.256 98 HB2 ASN 20 HB2 ASN 20 2.769 -4.192 12.025 99 HB3 ASN 20 HB1 ASN 20 2.559 -2.521 11.641 100 HD21 ASN 20 HD21 ASN 20 0.661 -1.787 11.017 101 HD22 ASN 20 HD22 ASN 20 -0.771 -2.671 11.248 102 H TRP 21 HN TRP 21 2.495 -1.335 9.987 103 HA TRP 21 HA TRP 21 3.643 0.610 9.540 104 HB2 TRP 21 HB2 TRP 21 5.479 -0.680 10.773 105 HB3 TRP 21 HB1 TRP 21 6.086 -1.033 9.167 106 HD1 TRP 21 HD1 TRP 21 5.898 1.656 11.803 107 HE1 TRP 21 HE1 TRP 21 7.329 3.683 11.127 108 HE3 TRP 21 HE3 TRP 21 6.959 0.352 6.966 109 HZ2 TRP 21 HZ2 TRP 21 8.717 4.605 8.867 110 HZ3 TRP 21 HZ3 TRP 21 8.348 1.871 5.620 111 HH2 TRP 21 HH2 TRP 21 9.207 3.953 6.553 112 H LYS 22 HN LYS 22 3.263 -1.913 7.591 113 HA LYS 22 HA LYS 22 4.851 -0.993 5.311 114 HB2 LYS 22 HB2 LYS 22 4.069 -3.419 4.568 115 HB3 LYS 22 HB1 LYS 22 5.483 -3.144 5.580 116 HG2 LYS 22 HG2 LYS 22 4.439 -3.834 7.458 117 HG3 LYS 22 HG1 LYS 22 2.831 -3.436 6.847 118 HD2 LYS 22 HD2 LYS 22 4.506 -5.695 5.744 119 HD3 LYS 22 HD1 LYS 22 3.326 -5.908 7.039 120 HE2 LYS 22 HE2 LYS 22 1.592 -4.963 5.520 121 HE3 LYS 22 HE1 LYS 22 2.791 -4.957 4.228 122 HZ1 LYS 22 HZ1 LYS 22 1.282 -6.923 4.258 123 HZ2 LYS 22 HZ2 LYS 22 1.998 -7.404 5.715 124 HZ3 LYS 22 HZ3 LYS 22 2.931 -7.312 4.298 125 H THR 23 HN THR 23 3.929 -1.741 3.179 126 HA THR 23 HA THR 23 1.056 -1.393 2.922 127 HB THR 23 HB THR 23 1.366 -0.126 0.892 128 HG1 THR 23 HG1 THR 23 4.022 0.408 1.039 129 HG21 THR 23 HG21 THR 23 3.053 0.953 3.145 130 HG22 THR 23 HG22 THR 23 1.321 1.216 2.899 131 HG23 THR 23 HG23 THR 23 2.491 1.912 1.772 132 H ALA 24 HN ALA 24 0.210 -2.966 1.855 133 HA ALA 24 HA ALA 24 1.737 -4.552 -0.069 134 HB1 ALA 24 HB1 ALA 24 1.850 -6.336 1.223 135 HB2 ALA 24 HB2 ALA 24 0.096 -6.309 1.362 136 HB3 ALA 24 HB3 ALA 24 1.077 -5.436 2.535 137 H ARG 25 HN ARG 25 0.347 -5.894 -1.450 138 HA ARG 25 HA ARG 25 -2.376 -4.875 -1.537 139 HB2 ARG 25 HB2 ARG 25 -2.446 -5.991 -3.822 140 HB3 ARG 25 HB1 ARG 25 -1.481 -4.556 -3.642 141 HG2 ARG 25 HG2 ARG 25 0.551 -5.850 -3.543 142 HG3 ARG 25 HG1 ARG 25 -0.395 -7.342 -3.619 143 HD2 ARG 25 HD2 ARG 25 0.444 -6.821 -5.821 144 HD3 ARG 25 HD1 ARG 25 -1.305 -6.613 -5.757 145 HE ARG 25 HE ARG 25 -0.001 -4.165 -5.241 146 HH11 ARG 25 HH11 ARG 25 -0.797 -6.368 -7.851 147 HH12 ARG 25 HH12 ARG 25 -0.894 -5.112 -9.049 148 HH21 ARG 25 HH21 ARG 25 -0.146 -2.513 -6.819 149 HH22 ARG 25 HH22 ARG 25 -0.548 -2.926 -8.459 150 H ASP 26 HN ASP 26 -4.039 -6.021 -1.414 151 HA ASP 26 HA ASP 26 -4.063 -8.774 -0.619 152 HB2 ASP 26 HB2 ASP 26 -5.865 -7.023 -0.151 153 HB3 ASP 26 HB1 ASP 26 -6.314 -7.143 -1.846 154 HA PRO 27 HA PRO 27 -3.100 -10.872 -4.289 155 HB2 PRO 27 HB2 PRO 27 -5.376 -12.537 -4.564 156 HB3 PRO 27 HB1 PRO 27 -3.842 -12.926 -3.783 157 HG2 PRO 27 HG2 PRO 27 -6.400 -12.003 -2.586 158 HG3 PRO 27 HG1 PRO 27 -5.158 -13.073 -1.909 159 HD2 PRO 27 HD2 PRO 27 -5.421 -10.563 -1.053 160 HD3 PRO 27 HD1 PRO 27 -3.814 -11.295 -1.251 161 H GLU 28 HN GLU 28 -6.122 -9.170 -4.285 162 HA GLU 28 HA GLU 28 -6.641 -9.593 -7.092 163 HB2 GLU 28 HB2 GLU 28 -8.381 -7.828 -6.734 164 HB3 GLU 28 HB1 GLU 28 -8.540 -9.234 -5.691 165 HG2 GLU 28 HG2 GLU 28 -7.899 -8.081 -3.808 166 HG3 GLU 28 HG1 GLU 28 -7.036 -6.847 -4.726 167 H GLY 29 HN GLY 29 -4.497 -7.657 -5.356 168 HA2 GLY 29 HA2 GLY 29 -2.905 -6.258 -6.470 169 HA3 GLY 29 HA1 GLY 29 -4.110 -5.916 -7.706 170 H LYS 30 HN LYS 30 -5.307 -5.828 -4.544 171 HA LYS 30 HA LYS 30 -5.527 -2.909 -4.725 172 HB2 LYS 30 HB2 LYS 30 -7.641 -4.103 -4.461 173 HB3 LYS 30 HB1 LYS 30 -7.022 -4.939 -3.044 174 HG2 LYS 30 HG2 LYS 30 -8.324 -3.316 -2.088 175 HG3 LYS 30 HG1 LYS 30 -6.740 -2.539 -2.080 176 HD2 LYS 30 HD2 LYS 30 -8.415 -0.961 -2.825 177 HD3 LYS 30 HD1 LYS 30 -7.351 -1.368 -4.176 178 HE2 LYS 30 HE2 LYS 30 -8.978 -2.783 -5.150 179 HE3 LYS 30 HE1 LYS 30 -9.970 -2.765 -3.692 180 HZ1 LYS 30 HZ1 LYS 30 -10.799 -1.346 -5.542 181 HZ2 LYS 30 HZ2 LYS 30 -9.444 -0.346 -5.337 182 HZ3 LYS 30 HZ3 LYS 30 -10.573 -0.517 -4.081 183 H ILE 31 HN ILE 31 -4.344 -1.679 -3.574 184 HA ILE 31 HA ILE 31 -2.539 -2.894 -1.677 185 HB ILE 31 HB ILE 31 -1.883 -1.301 -3.498 186 HG12 ILE 31 HG12 ILE 31 -0.551 -1.913 -1.363 187 HG13 ILE 31 HG11 ILE 31 -0.027 -0.541 -2.303 188 HG21 ILE 31 HG21 ILE 31 -3.035 0.749 -1.633 189 HG22 ILE 31 HG22 ILE 31 -3.617 0.345 -3.247 190 HG23 ILE 31 HG23 ILE 31 -2.036 1.099 -3.045 191 HD11 ILE 31 HD11 ILE 31 0.049 -0.162 0.112 192 HD12 ILE 31 HD12 ILE 31 -1.704 -0.348 0.139 193 HD13 ILE 31 HD13 ILE 31 -0.977 0.986 -0.749 194 H TYR 32 HN TYR 32 -2.197 -2.184 0.379 195 HA TYR 32 HA TYR 32 -4.121 -0.483 1.683 196 HB2 TYR 32 HB2 TYR 32 -4.115 -3.463 2.046 197 HB3 TYR 32 HB1 TYR 32 -4.434 -2.432 3.439 198 HD1 TYR 32 HD2 TYR 32 -6.248 -0.559 3.014 199 HD2 TYR 32 HD1 TYR 32 -5.925 -4.149 0.758 200 HE1 TYR 32 HE2 TYR 32 -8.597 -0.331 2.332 201 HE2 TYR 32 HE1 TYR 32 -8.277 -3.933 0.068 202 HH TYR 32 HH TYR 32 -10.070 -1.078 0.499 203 H TYR 33 HN TYR 33 -3.358 0.126 3.735 204 HA TYR 33 HA TYR 33 -0.565 -0.539 4.088 205 HB2 TYR 33 HB2 TYR 33 -0.441 1.550 3.137 206 HB3 TYR 33 HB1 TYR 33 -1.900 2.128 3.903 207 HD1 TYR 33 HD1 TYR 33 1.349 0.797 5.269 208 HD2 TYR 33 HD2 TYR 33 -1.421 4.015 5.071 209 HE1 TYR 33 HE1 TYR 33 2.746 2.095 6.826 210 HE2 TYR 33 HE2 TYR 33 -0.044 5.313 6.629 211 HH TYR 33 HH TYR 33 1.683 5.255 8.035 212 H TYR 34 HN TYR 34 0.162 -0.465 6.094 213 HA TYR 34 HA TYR 34 -1.803 -0.546 8.287 214 HB2 TYR 34 HB2 TYR 34 0.345 -2.656 7.898 215 HB3 TYR 34 HB1 TYR 34 -0.925 -2.647 9.109 216 HD1 TYR 34 HD2 TYR 34 -0.311 -2.987 5.456 217 HD2 TYR 34 HD1 TYR 34 -2.985 -3.707 8.689 218 HE1 TYR 34 HE2 TYR 34 -1.732 -4.346 3.975 219 HE2 TYR 34 HE1 TYR 34 -4.412 -5.058 7.216 220 HH TYR 34 HH TYR 34 -3.421 -5.985 4.015 221 H HIS 35 HN HIS 35 -1.000 0.523 10.073 222 HA HIS 35 HA HIS 35 1.944 0.870 10.084 223 HB2 HIS 35 HB2 HIS 35 0.352 2.930 9.881 224 HB3 HIS 35 HB1 HIS 35 0.070 2.686 11.598 225 HD1 HIS 35 HD1 HIS 35 2.838 3.575 9.172 226 HD2 HIS 35 HD2 HIS 35 2.019 3.705 13.247 227 HE1 HIS 35 HE1 HIS 35 4.704 4.908 10.197 228 HE2 HIS 35 HE2 HIS 35 4.027 5.205 12.603 229 H VAL 36 HN VAL 36 3.069 0.121 11.744 230 HA VAL 36 HA VAL 36 2.178 -1.985 13.232 231 HB VAL 36 HB VAL 36 4.525 -0.181 13.799 232 HG11 VAL 36 HG11 VAL 36 3.929 -2.904 14.947 233 HG12 VAL 36 HG12 VAL 36 3.965 -1.380 15.835 234 HG13 VAL 36 HG13 VAL 36 5.446 -2.024 15.128 235 HG21 VAL 36 HG21 VAL 36 5.701 -1.385 12.315 236 HG22 VAL 36 HG22 VAL 36 4.115 -1.861 11.665 237 HG23 VAL 36 HG23 VAL 36 4.963 -2.902 12.822 238 H ILE 37 HN ILE 37 1.793 1.336 14.170 239 HA ILE 37 HA ILE 37 2.280 1.190 16.892 240 HB ILE 37 HB ILE 37 0.671 3.171 17.045 241 HG12 ILE 37 HG12 ILE 37 0.747 2.897 14.029 242 HG13 ILE 37 HG11 ILE 37 -0.670 2.545 15.017 243 HG21 ILE 37 HG21 ILE 37 2.275 4.652 15.957 244 HG22 ILE 37 HG22 ILE 37 2.967 3.278 15.095 245 HG23 ILE 37 HG23 ILE 37 3.096 3.373 16.852 246 HD11 ILE 37 HD11 ILE 37 0.693 5.224 14.779 247 HD12 ILE 37 HD12 ILE 37 -0.743 4.871 15.740 248 HD13 ILE 37 HD13 ILE 37 -0.805 4.746 13.981 249 H THR 38 HN THR 38 -0.920 1.022 15.359 250 HA THR 38 HA THR 38 -1.936 -0.277 17.774 251 HB THR 38 HB THR 38 -4.217 0.524 16.838 252 HG1 THR 38 HG1 THR 38 -4.060 2.391 15.538 253 HG21 THR 38 HG21 THR 38 -3.189 1.390 18.897 254 HG22 THR 38 HG22 THR 38 -4.019 2.663 18.002 255 HG23 THR 38 HG23 THR 38 -2.260 2.546 17.942 256 H ARG 39 HN ARG 39 -0.705 -0.952 14.982 257 HA ARG 39 HA ARG 39 -0.869 -2.536 13.368 258 HB2 ARG 39 HB2 ARG 39 -3.013 -3.800 15.088 259 HB3 ARG 39 HB1 ARG 39 -1.956 -4.599 13.921 260 HG2 ARG 39 HG2 ARG 39 -0.857 -3.125 16.285 261 HG3 ARG 39 HG1 ARG 39 -1.379 -4.820 16.412 262 HD2 ARG 39 HD2 ARG 39 0.233 -5.512 14.806 263 HD3 ARG 39 HD1 ARG 39 0.587 -3.846 14.347 264 HE ARG 39 HE ARG 39 1.274 -3.836 16.930 265 HH11 ARG 39 HH11 ARG 39 2.012 -6.126 14.386 266 HH12 ARG 39 HH12 ARG 39 3.553 -6.565 15.050 267 HH21 ARG 39 HH21 ARG 39 3.299 -4.384 17.796 268 HH22 ARG 39 HH22 ARG 39 4.302 -5.554 16.984 269 H GLN 40 HN GLN 40 -2.316 -0.170 13.323 270 HA GLN 40 HA GLN 40 -4.979 -0.533 12.470 271 HB2 GLN 40 HB2 GLN 40 -4.713 1.920 11.827 272 HB3 GLN 40 HB1 GLN 40 -4.639 1.498 13.523 273 HG2 GLN 40 HG2 GLN 40 -2.676 2.500 13.650 274 HG3 GLN 40 HG1 GLN 40 -2.054 1.281 12.540 275 HE21 GLN 40 HE21 GLN 40 -3.904 2.179 10.485 276 HE22 GLN 40 HE22 GLN 40 -3.176 3.587 9.790 277 H THR 41 HN THR 41 -5.880 0.076 10.651 278 HA THR 41 HA THR 41 -4.212 0.034 8.233 279 HB THR 41 HB THR 41 -6.872 -1.329 8.228 280 HG1 THR 41 HG1 THR 41 -4.863 -2.106 9.789 281 HG21 THR 41 HG21 THR 41 -4.333 -1.322 6.674 282 HG22 THR 41 HG22 THR 41 -5.995 -1.130 6.096 283 HG23 THR 41 HG23 THR 41 -5.404 -2.725 6.574 284 H GLN 42 HN GLN 42 -5.052 1.224 6.510 285 HA GLN 42 HA GLN 42 -7.312 2.955 7.168 286 HB2 GLN 42 HB2 GLN 42 -5.366 3.288 4.888 287 HB3 GLN 42 HB1 GLN 42 -6.523 4.465 5.467 288 HG2 GLN 42 HG2 GLN 42 -4.411 5.194 6.206 289 HG3 GLN 42 HG1 GLN 42 -5.228 4.526 7.616 290 HE21 GLN 42 HE21 GLN 42 -3.916 2.487 5.158 291 HE22 GLN 42 HE22 GLN 42 -2.639 1.801 6.125 292 H TRP 43 HN TRP 43 -8.815 3.394 5.487 293 HA TRP 43 HA TRP 43 -9.544 0.998 4.004 294 HB2 TRP 43 HB2 TRP 43 -10.999 2.827 5.362 295 HB3 TRP 43 HB1 TRP 43 -11.127 3.485 3.742 296 HD1 TRP 43 HD1 TRP 43 -11.862 0.157 5.591 297 HE1 TRP 43 HE1 TRP 43 -13.821 -1.007 4.386 298 HE3 TRP 43 HE3 TRP 43 -12.470 3.419 1.699 299 HZ2 TRP 43 HZ2 TRP 43 -15.405 -0.593 2.082 300 HZ3 TRP 43 HZ3 TRP 43 -14.225 2.958 0.037 301 HH2 TRP 43 HH2 TRP 43 -15.660 0.995 0.227 302 H ASP 44 HN ASP 44 -7.980 3.892 3.621 303 HA ASP 44 HA ASP 44 -8.469 4.206 0.774 304 HB2 ASP 44 HB2 ASP 44 -8.329 6.231 2.068 305 HB3 ASP 44 HB1 ASP 44 -6.777 5.753 2.745 306 HA PRO 45 HA PRO 45 -4.864 1.703 -0.218 307 HB2 PRO 45 HB2 PRO 45 -5.532 2.265 -2.993 308 HB3 PRO 45 HB1 PRO 45 -5.661 0.739 -2.116 309 HG2 PRO 45 HG2 PRO 45 -7.827 2.132 -2.967 310 HG3 PRO 45 HG1 PRO 45 -7.845 1.128 -1.506 311 HD2 PRO 45 HD2 PRO 45 -7.505 4.098 -1.754 312 HD3 PRO 45 HD1 PRO 45 -8.523 3.177 -0.624 313 HA PRO 46 HA PRO 46 -2.451 5.455 -0.974 314 HB2 PRO 46 HB2 PRO 46 -0.220 4.145 0.287 315 HB3 PRO 46 HB1 PRO 46 -1.208 5.476 0.897 316 HG2 PRO 46 HG2 PRO 46 -1.208 2.953 1.972 317 HG3 PRO 46 HG1 PRO 46 -2.566 4.086 2.091 318 HD2 PRO 46 HD2 PRO 46 -2.182 1.775 0.228 319 HD3 PRO 46 HD1 PRO 46 -3.651 2.310 1.078 320 H THR 47 HN THR 47 -0.232 2.617 -1.006 321 HA THR 47 HA THR 47 0.604 2.914 -3.681 322 HB THR 47 HB THR 47 2.324 4.307 -1.586 323 HG1 THR 47 HG1 THR 47 0.337 5.261 -3.214 324 HG21 THR 47 HG21 THR 47 3.602 3.206 -3.345 325 HG22 THR 47 HG22 THR 47 3.720 4.961 -3.473 326 HG23 THR 47 HG23 THR 47 2.668 4.064 -4.570 327 H TRP 48 HN TRP 48 1.482 1.117 -4.102 328 HA TRP 48 HA TRP 48 1.754 -0.857 -2.074 329 HB2 TRP 48 HB2 TRP 48 0.743 -1.250 -4.214 330 HB3 TRP 48 HB1 TRP 48 2.228 -0.825 -5.016 331 HD1 TRP 48 HD1 TRP 48 1.569 -3.360 -2.144 332 HE1 TRP 48 HE1 TRP 48 2.562 -5.636 -2.830 333 HE3 TRP 48 HE3 TRP 48 3.214 -2.135 -6.828 334 HZ2 TRP 48 HZ2 TRP 48 3.861 -6.757 -5.072 335 HZ3 TRP 48 HZ3 TRP 48 4.321 -3.871 -8.177 336 HH2 TRP 48 HH2 TRP 48 4.635 -6.130 -7.318 337 H GLU 49 HN GLU 49 3.825 1.308 -3.509 338 HA GLU 49 HA GLU 49 6.170 -0.230 -3.035 339 HB2 GLU 49 HB2 GLU 49 7.168 2.031 -4.013 340 HB3 GLU 49 HB1 GLU 49 6.568 0.688 -4.975 341 HG2 GLU 49 HG2 GLU 49 4.378 1.722 -5.042 342 HG3 GLU 49 HG1 GLU 49 5.063 3.156 -4.284 343 H SER 50 HN SER 50 5.321 2.999 -2.437 344 HA SER 50 HA SER 50 5.541 4.446 -0.725 345 HB2 SER 50 HB2 SER 50 4.940 3.615 1.481 346 HB3 SER 50 HB1 SER 50 3.916 2.916 0.229 347 HG SER 50 HG SER 50 5.958 1.278 0.519 348 HA PRO 51 HA PRO 51 9.953 4.393 0.008 349 HB2 PRO 51 HB2 PRO 51 10.167 7.000 0.470 350 HB3 PRO 51 HB1 PRO 51 9.847 6.395 -1.165 351 HG2 PRO 51 HG2 PRO 51 7.872 7.319 0.902 352 HG3 PRO 51 HG1 PRO 51 8.046 7.908 -0.766 353 HD2 PRO 51 HD2 PRO 51 6.232 6.107 -0.114 354 HD3 PRO 51 HD1 PRO 51 7.145 5.937 -1.629 355 H GLY 52 HN GLY 52 7.869 3.934 2.146 356 HA2 GLY 52 HA2 GLY 52 8.200 3.606 4.461 357 HA3 GLY 52 HA1 GLY 52 9.365 4.915 4.418 358 H ASP 53 HN ASP 53 8.506 7.091 3.904 359 HA ASP 53 HA ASP 53 5.739 7.610 3.831 360 HB2 ASP 53 HB2 ASP 53 5.914 7.110 6.273 361 HB3 ASP 53 HB1 ASP 53 7.112 8.393 6.424 362 H ASP 54 HN ASP 54 6.289 8.809 2.093 363 HA ASP 54 HA ASP 54 7.787 11.243 2.429 364 HB2 ASP 54 HB2 ASP 54 9.532 9.498 2.248 365 HB3 ASP 54 HB1 ASP 54 8.841 9.012 0.714 366 H ALA 55 HN ALA 55 8.057 12.289 0.141 367 HA ALA 55 HA ALA 55 5.475 12.453 -1.018 368 HB1 ALA 55 HB1 ALA 55 6.484 14.005 -2.590 369 HB2 ALA 55 HB2 ALA 55 8.096 13.498 -2.085 370 HB3 ALA 55 HB3 ALA 55 7.044 14.342 -0.951 371 H SER 56 HN SER 56 8.310 10.598 -1.698 372 HA SER 56 HA SER 56 8.878 9.048 -3.216 373 HB2 SER 56 HB2 SER 56 7.069 7.488 -3.971 374 HB3 SER 56 HB1 SER 56 7.087 7.774 -2.235 375 HG SER 56 HG SER 56 5.489 9.571 -3.422 Start of MODEL 3 1 H1 GLY 9 HT1 GLY 9 15.558 11.728 -2.629 2 H2 GLY 9 HT2 GLY 9 15.848 11.664 -0.962 3 H3 GLY 9 HT3 GLY 9 15.522 13.153 -1.710 4 HA2 GLY 9 HA1 GLY 9 13.567 12.434 -0.549 5 HA3 GLY 9 HA2 GLY 9 13.285 12.352 -2.284 6 H SER 10 HN SER 10 12.379 10.803 0.276 7 HA SER 10 HA SER 10 13.272 8.149 -0.071 8 HB2 SER 10 HB2 SER 10 10.768 9.173 1.231 9 HB3 SER 10 HB1 SER 10 11.407 7.545 1.407 10 HG SER 10 HG SER 10 11.967 9.601 2.901 11 H LYS 11 HN LYS 11 13.018 7.393 -2.191 12 HA LYS 11 HA LYS 11 10.231 7.049 -3.020 13 HB2 LYS 11 HB2 LYS 11 11.222 5.977 -5.065 14 HB3 LYS 11 HB1 LYS 11 11.642 7.670 -4.855 15 HG2 LYS 11 HG2 LYS 11 13.826 7.034 -4.004 16 HG3 LYS 11 HG1 LYS 11 13.405 5.330 -4.172 17 HD2 LYS 11 HD2 LYS 11 13.197 5.590 -6.573 18 HD3 LYS 11 HD1 LYS 11 13.508 7.322 -6.434 19 HE2 LYS 11 HE2 LYS 11 15.421 5.090 -5.760 20 HE3 LYS 11 HE1 LYS 11 15.513 6.171 -7.151 21 HZ1 LYS 11 HZ1 LYS 11 15.863 6.880 -4.291 22 HZ2 LYS 11 HZ2 LYS 11 15.697 8.036 -5.520 23 HZ3 LYS 11 HZ3 LYS 11 17.019 6.975 -5.529 24 HA PRO 12 HA PRO 12 10.407 3.266 -0.779 25 HB2 PRO 12 HB2 PRO 12 7.870 2.637 -0.924 26 HB3 PRO 12 HB1 PRO 12 8.410 4.063 -0.023 27 HG2 PRO 12 HG2 PRO 12 7.410 3.883 -2.811 28 HG3 PRO 12 HG1 PRO 12 6.824 4.940 -1.520 29 HD2 PRO 12 HD2 PRO 12 8.550 5.822 -3.338 30 HD3 PRO 12 HD1 PRO 12 8.655 6.322 -1.633 31 H LYS 13 HN LYS 13 10.085 1.064 -1.006 32 HA LYS 13 HA LYS 13 9.969 0.091 -3.748 33 HB2 LYS 13 HB2 LYS 13 11.880 -0.766 -1.580 34 HB3 LYS 13 HB1 LYS 13 11.731 -1.552 -3.144 35 HG2 LYS 13 HG2 LYS 13 12.611 0.306 -4.282 36 HG3 LYS 13 HG1 LYS 13 12.421 1.358 -2.879 37 HD2 LYS 13 HD2 LYS 13 14.766 0.705 -3.268 38 HD3 LYS 13 HD1 LYS 13 14.165 0.160 -1.703 39 HE2 LYS 13 HE2 LYS 13 15.519 -1.545 -2.843 40 HE3 LYS 13 HE1 LYS 13 13.865 -2.081 -2.562 41 HZ1 LYS 13 HZ1 LYS 13 14.915 -2.522 -4.830 42 HZ2 LYS 13 HZ2 LYS 13 14.648 -0.877 -5.143 43 HZ3 LYS 13 HZ3 LYS 13 13.340 -1.896 -4.798 44 H THR 14 HN THR 14 9.564 -2.319 -3.778 45 HA THR 14 HA THR 14 7.255 -2.793 -2.137 46 HB THR 14 HB THR 14 7.184 -4.988 -3.470 47 HG1 THR 14 HG1 THR 14 9.573 -4.525 -4.054 48 HG21 THR 14 HG21 THR 14 5.775 -3.090 -4.019 49 HG22 THR 14 HG22 THR 14 6.371 -3.846 -5.498 50 HG23 THR 14 HG23 THR 14 7.093 -2.345 -4.920 51 H ILE 15 HN ILE 15 8.583 -2.747 -0.208 52 HA ILE 15 HA ILE 15 10.105 -5.184 0.355 53 HB ILE 15 HB ILE 15 9.932 -2.826 2.185 54 HG12 ILE 15 HG12 ILE 15 11.666 -2.936 -0.286 55 HG13 ILE 15 HG11 ILE 15 10.196 -1.973 -0.157 56 HG21 ILE 15 HG21 ILE 15 12.176 -4.686 1.406 57 HG22 ILE 15 HG22 ILE 15 11.199 -4.797 2.869 58 HG23 ILE 15 HG23 ILE 15 12.270 -3.416 2.626 59 HD11 ILE 15 HD11 ILE 15 12.191 -0.620 0.191 60 HD12 ILE 15 HD12 ILE 15 12.684 -1.659 1.529 61 HD13 ILE 15 HD13 ILE 15 11.217 -0.690 1.659 62 H VAL 16 HN VAL 16 9.508 -6.564 2.029 63 HA VAL 16 HA VAL 16 6.949 -6.071 3.327 64 HB VAL 16 HB VAL 16 8.838 -8.411 3.637 65 HG11 VAL 16 HG11 VAL 16 5.975 -8.088 4.526 66 HG12 VAL 16 HG12 VAL 16 7.386 -8.125 5.580 67 HG13 VAL 16 HG13 VAL 16 6.935 -9.561 4.660 68 HG21 VAL 16 HG21 VAL 16 7.166 -9.620 2.262 69 HG22 VAL 16 HG22 VAL 16 8.049 -8.357 1.410 70 HG23 VAL 16 HG23 VAL 16 6.391 -8.068 1.932 71 H LEU 17 HN LEU 17 6.973 -4.749 5.003 72 HA LEU 17 HA LEU 17 9.322 -4.311 6.599 73 HB2 LEU 17 HB2 LEU 17 6.523 -3.233 6.781 74 HB3 LEU 17 HB1 LEU 17 7.822 -2.722 7.820 75 HG LEU 17 HG LEU 17 8.980 -2.098 5.622 76 HD11 LEU 17 HD11 LEU 17 7.401 -1.362 3.864 77 HD12 LEU 17 HD12 LEU 17 6.135 -2.258 4.704 78 HD13 LEU 17 HD13 LEU 17 7.527 -3.112 4.039 79 HD21 LEU 17 HD21 LEU 17 8.559 -0.298 6.938 80 HD22 LEU 17 HD22 LEU 17 6.846 -0.683 7.101 81 HD23 LEU 17 HD23 LEU 17 7.453 0.059 5.612 82 HA PRO 18 HA PRO 18 8.862 -7.090 9.982 83 HB2 PRO 18 HB2 PRO 18 8.715 -4.645 11.696 84 HB3 PRO 18 HB1 PRO 18 9.727 -6.083 11.874 85 HG2 PRO 18 HG2 PRO 18 10.737 -3.805 10.922 86 HG3 PRO 18 HG1 PRO 18 11.247 -5.375 10.277 87 HD2 PRO 18 HD2 PRO 18 9.488 -3.312 9.065 88 HD3 PRO 18 HD1 PRO 18 10.558 -4.492 8.283 89 HA PRO 19 HA PRO 19 4.666 -7.934 9.354 90 HB2 PRO 19 HB2 PRO 19 4.838 -8.360 12.321 91 HB3 PRO 19 HB1 PRO 19 3.997 -9.329 11.102 92 HG2 PRO 19 HG2 PRO 19 6.581 -9.823 11.990 93 HG3 PRO 19 HG1 PRO 19 5.906 -10.393 10.455 94 HD2 PRO 19 HD2 PRO 19 8.049 -8.570 10.784 95 HD3 PRO 19 HD1 PRO 19 7.193 -8.936 9.269 96 H ASN 20 HN ASN 20 4.963 -5.260 9.394 97 HA ASN 20 HA ASN 20 2.532 -4.232 9.406 98 HB2 ASN 20 HB2 ASN 20 2.576 -4.794 11.930 99 HB3 ASN 20 HB1 ASN 20 3.494 -3.328 12.095 100 HD21 ASN 20 HD21 ASN 20 1.083 -3.719 13.251 101 HD22 ASN 20 HD22 ASN 20 0.004 -2.586 12.540 102 H TRP 21 HN TRP 21 2.668 -1.687 10.098 103 HA TRP 21 HA TRP 21 3.674 0.366 9.586 104 HB2 TRP 21 HB2 TRP 21 5.580 -0.711 10.819 105 HB3 TRP 21 HB1 TRP 21 6.139 -1.286 9.272 106 HD1 TRP 21 HD1 TRP 21 4.908 2.322 9.692 107 HE1 TRP 21 HE1 TRP 21 6.914 3.921 9.448 108 HE3 TRP 21 HE3 TRP 21 8.676 -1.126 9.541 109 HZ2 TRP 21 HZ2 TRP 21 9.721 3.737 9.218 110 HZ3 TRP 21 HZ3 TRP 21 10.992 -0.335 9.317 111 HH2 TRP 21 HH2 TRP 21 11.505 2.049 9.159 112 H LYS 22 HN LYS 22 3.085 -1.990 7.682 113 HA LYS 22 HA LYS 22 4.716 -1.351 5.344 114 HB2 LYS 22 HB2 LYS 22 3.556 -3.711 4.734 115 HB3 LYS 22 HB1 LYS 22 5.078 -3.562 5.609 116 HG2 LYS 22 HG2 LYS 22 4.034 -3.809 7.671 117 HG3 LYS 22 HG1 LYS 22 2.429 -3.576 6.977 118 HD2 LYS 22 HD2 LYS 22 4.171 -5.908 6.201 119 HD3 LYS 22 HD1 LYS 22 3.145 -5.967 7.633 120 HE2 LYS 22 HE2 LYS 22 1.232 -5.307 6.078 121 HE3 LYS 22 HE1 LYS 22 2.329 -5.699 4.754 122 HZ1 LYS 22 HZ1 LYS 22 1.586 -7.582 6.930 123 HZ2 LYS 22 HZ2 LYS 22 2.507 -7.942 5.551 124 HZ3 LYS 22 HZ3 LYS 22 0.862 -7.558 5.397 125 H THR 23 HN THR 23 3.710 -2.023 3.250 126 HA THR 23 HA THR 23 0.861 -1.468 2.986 127 HB THR 23 HB THR 23 1.227 -0.303 0.916 128 HG1 THR 23 HG1 THR 23 3.354 -1.562 0.614 129 HG21 THR 23 HG21 THR 23 3.013 0.732 3.102 130 HG22 THR 23 HG22 THR 23 1.304 1.113 2.855 131 HG23 THR 23 HG23 THR 23 2.511 1.677 1.697 132 H ALA 24 HN ALA 24 -0.058 -3.070 2.042 133 HA ALA 24 HA ALA 24 1.416 -4.825 0.221 134 HB1 ALA 24 HB1 ALA 24 1.365 -6.465 1.712 135 HB2 ALA 24 HB2 ALA 24 -0.390 -6.434 1.560 136 HB3 ALA 24 HB3 ALA 24 0.393 -5.492 2.819 137 H ARG 25 HN ARG 25 0.033 -6.031 -1.232 138 HA ARG 25 HA ARG 25 -2.715 -5.018 -1.361 139 HB2 ARG 25 HB2 ARG 25 -1.256 -6.004 -3.725 140 HB3 ARG 25 HB1 ARG 25 -2.820 -5.252 -3.708 141 HG2 ARG 25 HG2 ARG 25 -1.773 -3.131 -3.100 142 HG3 ARG 25 HG1 ARG 25 -0.181 -3.906 -3.147 143 HD2 ARG 25 HD2 ARG 25 -0.308 -4.294 -5.446 144 HD3 ARG 25 HD1 ARG 25 -2.053 -4.037 -5.483 145 HE ARG 25 HE ARG 25 -0.983 -1.626 -4.702 146 HH11 ARG 25 HH11 ARG 25 -0.546 -3.758 -7.444 147 HH12 ARG 25 HH12 ARG 25 -0.205 -2.466 -8.556 148 HH21 ARG 25 HH21 ARG 25 -0.540 0.074 -6.150 149 HH22 ARG 25 HH22 ARG 25 -0.203 -0.280 -7.817 150 H ASP 26 HN ASP 26 -4.266 -6.386 -1.645 151 HA ASP 26 HA ASP 26 -3.917 -9.207 -1.383 152 HB2 ASP 26 HB2 ASP 26 -5.990 -7.566 -0.913 153 HB3 ASP 26 HB1 ASP 26 -6.396 -8.011 -2.566 154 HA PRO 27 HA PRO 27 -2.572 -10.455 -5.295 155 HB2 PRO 27 HB2 PRO 27 -4.556 -12.284 -6.073 156 HB3 PRO 27 HB1 PRO 27 -3.094 -12.636 -5.149 157 HG2 PRO 27 HG2 PRO 27 -5.873 -12.125 -4.189 158 HG3 PRO 27 HG1 PRO 27 -4.656 -13.252 -3.560 159 HD2 PRO 27 HD2 PRO 27 -5.170 -10.987 -2.279 160 HD3 PRO 27 HD1 PRO 27 -3.495 -11.562 -2.447 161 H GLU 28 HN GLU 28 -5.719 -9.120 -5.156 162 HA GLU 28 HA GLU 28 -6.194 -9.069 -7.994 163 HB2 GLU 28 HB2 GLU 28 -8.061 -7.458 -7.123 164 HB3 GLU 28 HB1 GLU 28 -8.162 -9.190 -6.810 165 HG2 GLU 28 HG2 GLU 28 -7.198 -8.842 -4.593 166 HG3 GLU 28 HG1 GLU 28 -7.129 -7.101 -4.894 167 H GLY 29 HN GLY 29 -4.304 -7.208 -5.885 168 HA2 GLY 29 HA2 GLY 29 -2.920 -5.472 -6.737 169 HA3 GLY 29 HA1 GLY 29 -4.161 -5.105 -7.926 170 H LYS 30 HN LYS 30 -5.483 -5.631 -4.862 171 HA LYS 30 HA LYS 30 -5.862 -2.750 -4.554 172 HB2 LYS 30 HB2 LYS 30 -7.262 -5.101 -3.281 173 HB3 LYS 30 HB1 LYS 30 -7.478 -3.454 -2.707 174 HG2 LYS 30 HG2 LYS 30 -8.127 -2.936 -5.152 175 HG3 LYS 30 HG1 LYS 30 -8.347 -4.685 -5.288 176 HD2 LYS 30 HD2 LYS 30 -9.792 -4.510 -3.202 177 HD3 LYS 30 HD1 LYS 30 -9.753 -2.763 -3.446 178 HE2 LYS 30 HE2 LYS 30 -11.767 -3.719 -4.402 179 HE3 LYS 30 HE1 LYS 30 -10.733 -3.067 -5.673 180 HZ1 LYS 30 HZ1 LYS 30 -10.492 -5.900 -4.939 181 HZ2 LYS 30 HZ2 LYS 30 -10.207 -5.149 -6.438 182 HZ3 LYS 30 HZ3 LYS 30 -11.799 -5.416 -5.907 183 H ILE 31 HN ILE 31 -4.783 -1.637 -3.244 184 HA ILE 31 HA ILE 31 -2.854 -3.001 -1.534 185 HB ILE 31 HB ILE 31 -2.228 -1.358 -3.339 186 HG12 ILE 31 HG12 ILE 31 -0.892 -2.049 -1.177 187 HG13 ILE 31 HG11 ILE 31 -0.294 -0.776 -2.213 188 HG21 ILE 31 HG21 ILE 31 -3.929 0.296 -2.984 189 HG22 ILE 31 HG22 ILE 31 -2.337 1.027 -2.773 190 HG23 ILE 31 HG23 ILE 31 -3.315 0.622 -1.362 191 HD11 ILE 31 HD11 ILE 31 -0.149 -0.282 0.198 192 HD12 ILE 31 HD12 ILE 31 -1.912 -0.320 0.235 193 HD13 ILE 31 HD13 ILE 31 -1.084 0.902 -0.722 194 H TYR 32 HN TYR 32 -2.422 -2.207 0.572 195 HA TYR 32 HA TYR 32 -4.324 -0.461 1.824 196 HB2 TYR 32 HB2 TYR 32 -4.905 -2.131 3.614 197 HB3 TYR 32 HB1 TYR 32 -5.625 -2.463 2.047 198 HD1 TYR 32 HD2 TYR 32 -2.842 -3.452 4.296 199 HD2 TYR 32 HD1 TYR 32 -5.301 -4.555 1.004 200 HE1 TYR 32 HE2 TYR 32 -1.898 -5.721 4.359 201 HE2 TYR 32 HE1 TYR 32 -4.361 -6.826 1.054 202 HH TYR 32 HH TYR 32 -2.212 -7.881 3.626 203 H TYR 33 HN TYR 33 -3.592 0.040 4.036 204 HA TYR 33 HA TYR 33 -0.695 -0.172 4.058 205 HB2 TYR 33 HB2 TYR 33 -2.058 2.075 3.576 206 HB3 TYR 33 HB1 TYR 33 -2.115 2.131 5.315 207 HD1 TYR 33 HD2 TYR 33 0.450 1.463 6.281 208 HD2 TYR 33 HD1 TYR 33 -0.532 3.520 2.692 209 HE1 TYR 33 HE2 TYR 33 2.653 2.553 6.309 210 HE2 TYR 33 HE1 TYR 33 1.663 4.625 2.718 211 HH TYR 33 HH TYR 33 4.179 3.658 4.879 212 H TYR 34 HN TYR 34 0.208 -0.207 6.088 213 HA TYR 34 HA TYR 34 -1.545 -0.689 8.389 214 HB2 TYR 34 HB2 TYR 34 0.310 -2.569 7.074 215 HB3 TYR 34 HB1 TYR 34 0.512 -2.451 8.814 216 HD1 TYR 34 HD1 TYR 34 -1.356 -3.069 10.315 217 HD2 TYR 34 HD2 TYR 34 -1.566 -3.683 6.110 218 HE1 TYR 34 HE1 TYR 34 -3.195 -4.661 10.649 219 HE2 TYR 34 HE2 TYR 34 -3.415 -5.274 6.432 220 HH TYR 34 HH TYR 34 -5.117 -5.570 9.316 221 H HIS 35 HN HIS 35 -0.768 0.219 10.288 222 HA HIS 35 HA HIS 35 2.142 0.668 10.359 223 HB2 HIS 35 HB2 HIS 35 0.006 2.604 11.194 224 HB3 HIS 35 HB1 HIS 35 1.591 2.640 11.958 225 HD1 HIS 35 HD1 HIS 35 -0.024 4.541 9.651 226 HD2 HIS 35 HD2 HIS 35 3.557 2.440 9.441 227 HE1 HIS 35 HE1 HIS 35 1.302 5.641 7.813 228 HE2 HIS 35 HE2 HIS 35 3.434 4.299 7.644 229 H VAL 36 HN VAL 36 3.153 -0.174 11.964 230 HA VAL 36 HA VAL 36 2.088 -2.159 13.555 231 HB VAL 36 HB VAL 36 4.539 -0.700 14.450 232 HG11 VAL 36 HG11 VAL 36 3.912 -2.605 15.767 233 HG12 VAL 36 HG12 VAL 36 5.342 -3.021 14.822 234 HG13 VAL 36 HG13 VAL 36 3.755 -3.608 14.326 235 HG21 VAL 36 HG21 VAL 36 5.277 -0.733 12.344 236 HG22 VAL 36 HG22 VAL 36 4.016 -1.870 11.801 237 HG23 VAL 36 HG23 VAL 36 5.490 -2.466 12.613 238 H ILE 37 HN ILE 37 2.112 1.151 14.170 239 HA ILE 37 HA ILE 37 2.526 1.346 16.901 240 HB ILE 37 HB ILE 37 1.268 3.454 16.824 241 HG12 ILE 37 HG12 ILE 37 0.439 2.496 14.083 242 HG13 ILE 37 HG11 ILE 37 -0.563 3.071 15.401 243 HG21 ILE 37 HG21 ILE 37 3.604 3.379 16.164 244 HG22 ILE 37 HG22 ILE 37 2.727 4.582 15.218 245 HG23 ILE 37 HG23 ILE 37 3.132 3.022 14.503 246 HD11 ILE 37 HD11 ILE 37 -0.438 4.693 13.595 247 HD12 ILE 37 HD12 ILE 37 1.313 4.782 13.793 248 HD13 ILE 37 HD13 ILE 37 0.252 5.327 15.090 249 H THR 38 HN THR 38 -0.637 1.266 15.333 250 HA THR 38 HA THR 38 -1.807 0.184 17.787 251 HB THR 38 HB THR 38 -3.995 1.003 16.622 252 HG1 THR 38 HG1 THR 38 -3.681 2.746 15.231 253 HG21 THR 38 HG21 THR 38 -3.136 1.903 18.730 254 HG22 THR 38 HG22 THR 38 -3.795 3.187 17.718 255 HG23 THR 38 HG23 THR 38 -2.048 2.968 17.840 256 H ARG 39 HN ARG 39 -0.581 -0.665 14.976 257 HA ARG 39 HA ARG 39 -0.840 -2.271 13.406 258 HB2 ARG 39 HB2 ARG 39 -2.962 -3.391 15.249 259 HB3 ARG 39 HB1 ARG 39 -2.080 -4.262 13.992 260 HG2 ARG 39 HG2 ARG 39 -0.066 -4.174 15.180 261 HG3 ARG 39 HG1 ARG 39 -0.671 -2.903 16.262 262 HD2 ARG 39 HD2 ARG 39 -0.544 -5.143 17.332 263 HD3 ARG 39 HD1 ARG 39 -2.180 -4.482 17.303 264 HE ARG 39 HE ARG 39 -1.648 -6.169 15.055 265 HH11 ARG 39 HH11 ARG 39 -2.510 -6.181 18.436 266 HH12 ARG 39 HH12 ARG 39 -3.374 -7.680 18.351 267 HH21 ARG 39 HH21 ARG 39 -2.760 -8.150 14.910 268 HH22 ARG 39 HH22 ARG 39 -3.526 -8.814 16.333 269 H GLN 40 HN GLN 40 -1.978 0.090 13.057 270 HA GLN 40 HA GLN 40 -4.739 -0.034 12.468 271 HB2 GLN 40 HB2 GLN 40 -4.373 2.287 11.633 272 HB3 GLN 40 HB1 GLN 40 -3.974 2.019 13.309 273 HG2 GLN 40 HG2 GLN 40 -1.990 2.871 12.931 274 HG3 GLN 40 HG1 GLN 40 -1.681 1.478 11.890 275 HE21 GLN 40 HE21 GLN 40 -3.848 2.287 10.112 276 HE22 GLN 40 HE22 GLN 40 -3.185 3.549 9.120 277 H THR 41 HN THR 41 -5.679 0.513 10.591 278 HA THR 41 HA THR 41 -4.172 -0.062 8.155 279 HB THR 41 HB THR 41 -6.767 -1.500 8.503 280 HG1 THR 41 HG1 THR 41 -4.283 -2.113 9.688 281 HG21 THR 41 HG21 THR 41 -4.319 -1.584 6.830 282 HG22 THR 41 HG22 THR 41 -6.019 -1.698 6.337 283 HG23 THR 41 HG23 THR 41 -5.216 -3.093 7.070 284 H GLN 42 HN GLN 42 -5.312 0.471 6.197 285 HA GLN 42 HA GLN 42 -7.609 2.225 6.440 286 HB2 GLN 42 HB2 GLN 42 -5.170 3.046 4.866 287 HB3 GLN 42 HB1 GLN 42 -6.572 4.021 5.259 288 HG2 GLN 42 HG2 GLN 42 -5.100 4.918 6.724 289 HG3 GLN 42 HG1 GLN 42 -5.702 3.598 7.726 290 HE21 GLN 42 HE21 GLN 42 -4.326 1.605 6.171 291 HE22 GLN 42 HE22 GLN 42 -2.669 1.659 6.620 292 H TRP 43 HN TRP 43 -8.548 2.589 4.328 293 HA TRP 43 HA TRP 43 -8.007 0.343 2.481 294 HB2 TRP 43 HB2 TRP 43 -10.210 0.363 3.599 295 HB3 TRP 43 HB1 TRP 43 -10.533 1.949 2.937 296 HD1 TRP 43 HD1 TRP 43 -9.981 -1.677 1.679 297 HE1 TRP 43 HE1 TRP 43 -11.306 -1.957 -0.522 298 HE3 TRP 43 HE3 TRP 43 -11.652 3.121 1.128 299 HZ2 TRP 43 HZ2 TRP 43 -12.849 -0.345 -2.248 300 HZ3 TRP 43 HZ3 TRP 43 -13.045 3.669 -0.825 301 HH2 TRP 43 HH2 TRP 43 -13.628 1.973 -2.473 302 H ASP 44 HN ASP 44 -7.615 3.528 2.967 303 HA ASP 44 HA ASP 44 -8.496 4.450 0.354 304 HB2 ASP 44 HB2 ASP 44 -9.008 5.753 2.401 305 HB3 ASP 44 HB1 ASP 44 -7.289 6.091 2.574 306 HA PRO 45 HA PRO 45 -3.816 6.003 0.193 307 HB2 PRO 45 HB2 PRO 45 -2.571 3.785 1.733 308 HB3 PRO 45 HB1 PRO 45 -2.125 5.493 1.657 309 HG2 PRO 45 HG2 PRO 45 -3.371 4.518 3.790 310 HG3 PRO 45 HG1 PRO 45 -3.773 6.126 3.161 311 HD2 PRO 45 HD2 PRO 45 -5.272 3.556 2.900 312 HD3 PRO 45 HD1 PRO 45 -5.888 5.205 3.128 313 HA PRO 46 HA PRO 46 -3.740 2.676 -2.883 314 HB2 PRO 46 HB2 PRO 46 -3.575 4.653 -4.915 315 HB3 PRO 46 HB1 PRO 46 -5.001 3.736 -4.422 316 HG2 PRO 46 HG2 PRO 46 -4.706 6.461 -4.100 317 HG3 PRO 46 HG1 PRO 46 -5.797 5.438 -3.148 318 HD2 PRO 46 HD2 PRO 46 -3.047 6.422 -2.453 319 HD3 PRO 46 HD1 PRO 46 -4.510 6.354 -1.437 320 H THR 47 HN THR 47 -1.398 2.237 -2.136 321 HA THR 47 HA THR 47 0.390 3.341 -4.158 322 HB THR 47 HB THR 47 2.208 2.739 -2.465 323 HG1 THR 47 HG1 THR 47 1.615 2.391 -0.405 324 HG21 THR 47 HG21 THR 47 1.440 5.026 -3.064 325 HG22 THR 47 HG22 THR 47 2.084 4.887 -1.427 326 HG23 THR 47 HG23 THR 47 0.340 4.969 -1.686 327 H TRP 48 HN TRP 48 2.338 1.588 -3.115 328 HA TRP 48 HA TRP 48 1.780 -1.093 -3.832 329 HB2 TRP 48 HB2 TRP 48 1.622 0.008 -6.005 330 HB3 TRP 48 HB1 TRP 48 3.174 0.749 -5.751 331 HD1 TRP 48 HD1 TRP 48 1.978 -2.961 -5.687 332 HE1 TRP 48 HE1 TRP 48 3.655 -4.340 -7.078 333 HE3 TRP 48 HE3 TRP 48 5.131 0.804 -7.108 334 HZ2 TRP 48 HZ2 TRP 48 6.009 -3.874 -8.591 335 HZ3 TRP 48 HZ3 TRP 48 7.066 0.263 -8.525 336 HH2 TRP 48 HH2 TRP 48 7.494 -2.030 -9.250 337 H GLU 49 HN GLU 49 3.497 1.518 -2.850 338 HA GLU 49 HA GLU 49 5.832 0.047 -2.106 339 HB2 GLU 49 HB2 GLU 49 7.013 2.240 -2.581 340 HB3 GLU 49 HB1 GLU 49 6.424 1.291 -3.950 341 HG2 GLU 49 HG2 GLU 49 4.329 2.661 -3.725 342 HG3 GLU 49 HG1 GLU 49 5.327 3.804 -2.840 343 H SER 50 HN SER 50 7.088 1.707 -0.494 344 HA SER 50 HA SER 50 5.416 2.935 1.426 345 HB2 SER 50 HB2 SER 50 4.623 0.666 1.783 346 HB3 SER 50 HB1 SER 50 6.283 0.090 1.929 347 HG SER 50 HG SER 50 4.760 0.862 3.871 348 HA PRO 51 HA PRO 51 9.675 3.906 2.637 349 HB2 PRO 51 HB2 PRO 51 9.184 6.318 3.554 350 HB3 PRO 51 HB1 PRO 51 9.159 6.038 1.803 351 HG2 PRO 51 HG2 PRO 51 6.854 6.040 3.726 352 HG3 PRO 51 HG1 PRO 51 7.020 6.991 2.237 353 HD2 PRO 51 HD2 PRO 51 5.663 4.687 2.332 354 HD3 PRO 51 HD1 PRO 51 6.621 5.143 0.905 355 H GLY 52 HN GLY 52 7.344 2.599 4.101 356 HA2 GLY 52 HA2 GLY 52 6.812 2.004 6.259 357 HA3 GLY 52 HA1 GLY 52 8.105 3.058 6.807 358 H ASP 53 HN ASP 53 7.659 5.447 6.330 359 HA ASP 53 HA ASP 53 5.061 6.402 5.900 360 HB2 ASP 53 HB2 ASP 53 4.644 5.514 8.189 361 HB3 ASP 53 HB1 ASP 53 5.959 6.512 8.801 362 H ASP 54 HN ASP 54 6.260 7.656 4.496 363 HA ASP 54 HA ASP 54 7.662 9.919 5.664 364 HB2 ASP 54 HB2 ASP 54 9.255 7.892 5.319 365 HB3 ASP 54 HB1 ASP 54 9.114 8.301 3.617 366 H ALA 55 HN ALA 55 8.877 10.835 3.296 367 HA ALA 55 HA ALA 55 6.508 11.846 1.975 368 HB1 ALA 55 HB1 ALA 55 8.035 13.398 0.884 369 HB2 ALA 55 HB2 ALA 55 9.414 12.518 1.541 370 HB3 ALA 55 HB3 ALA 55 8.308 13.365 2.625 371 H SER 56 HN SER 56 6.182 9.514 1.218 372 HA SER 56 HA SER 56 7.401 9.220 -1.443 373 HB2 SER 56 HB2 SER 56 6.323 7.072 0.411 374 HB3 SER 56 HB1 SER 56 6.918 6.779 -1.226 375 HG SER 56 HG SER 56 8.898 7.940 -0.343 Start of MODEL 4 1 H1 GLY 9 HT1 GLY 9 8.590 15.356 -6.079 2 H2 GLY 9 HT2 GLY 9 9.113 15.611 -4.487 3 H3 GLY 9 HT3 GLY 9 7.534 16.041 -4.942 4 HA2 GLY 9 HA1 GLY 9 7.606 13.973 -3.649 5 HA3 GLY 9 HA2 GLY 9 6.910 13.778 -5.252 6 H SER 10 HN SER 10 8.480 12.019 -3.273 7 HA SER 10 HA SER 10 10.585 11.112 -5.110 8 HB2 SER 10 HB2 SER 10 10.119 10.158 -2.306 9 HB3 SER 10 HB1 SER 10 11.591 10.024 -3.260 10 HG SER 10 HG SER 10 11.539 12.433 -3.209 11 H LYS 11 HN LYS 11 10.609 8.909 -5.807 12 HA LYS 11 HA LYS 11 8.014 7.570 -5.547 13 HB2 LYS 11 HB2 LYS 11 10.360 7.096 -7.390 14 HB3 LYS 11 HB1 LYS 11 8.976 6.016 -7.303 15 HG2 LYS 11 HG2 LYS 11 8.799 8.945 -7.971 16 HG3 LYS 11 HG1 LYS 11 8.868 7.650 -9.167 17 HD2 LYS 11 HD2 LYS 11 6.805 7.453 -7.041 18 HD3 LYS 11 HD1 LYS 11 6.564 8.668 -8.295 19 HE2 LYS 11 HE2 LYS 11 5.449 6.576 -8.870 20 HE3 LYS 11 HE1 LYS 11 6.739 6.937 -10.012 21 HZ1 LYS 11 HZ1 LYS 11 6.778 4.624 -9.431 22 HZ2 LYS 11 HZ2 LYS 11 6.859 4.981 -7.775 23 HZ3 LYS 11 HZ3 LYS 11 8.158 5.369 -8.796 24 HA PRO 12 HA PRO 12 9.861 5.100 -2.395 25 HB2 PRO 12 HB2 PRO 12 7.727 3.819 -1.582 26 HB3 PRO 12 HB1 PRO 12 7.859 5.576 -1.386 27 HG2 PRO 12 HG2 PRO 12 6.537 4.031 -3.558 28 HG3 PRO 12 HG1 PRO 12 5.833 5.321 -2.572 29 HD2 PRO 12 HD2 PRO 12 6.827 5.823 -5.000 30 HD3 PRO 12 HD1 PRO 12 6.998 6.984 -3.669 31 H LYS 13 HN LYS 13 10.321 2.965 -1.849 32 HA LYS 13 HA LYS 13 10.199 1.137 -4.109 33 HB2 LYS 13 HB2 LYS 13 12.034 1.087 -1.713 34 HB3 LYS 13 HB1 LYS 13 12.099 -0.016 -3.080 35 HG2 LYS 13 HG2 LYS 13 12.580 2.957 -3.196 36 HG3 LYS 13 HG1 LYS 13 13.822 1.704 -3.234 37 HD2 LYS 13 HD2 LYS 13 13.009 0.869 -5.329 38 HD3 LYS 13 HD1 LYS 13 11.602 1.932 -5.261 39 HE2 LYS 13 HE2 LYS 13 13.270 2.809 -6.798 40 HE3 LYS 13 HE1 LYS 13 13.074 3.881 -5.413 41 HZ1 LYS 13 HZ1 LYS 13 15.069 2.892 -4.436 42 HZ2 LYS 13 HZ2 LYS 13 15.392 3.612 -5.933 43 HZ3 LYS 13 HZ3 LYS 13 15.270 1.922 -5.814 44 H THR 14 HN THR 14 10.016 -1.209 -3.442 45 HA THR 14 HA THR 14 7.692 -1.359 -1.701 46 HB THR 14 HB THR 14 7.466 -3.694 -2.615 47 HG1 THR 14 HG1 THR 14 9.708 -2.829 -4.154 48 HG21 THR 14 HG21 THR 14 7.583 -1.453 -4.632 49 HG22 THR 14 HG22 THR 14 6.224 -1.828 -3.574 50 HG23 THR 14 HG23 THR 14 6.701 -2.968 -4.833 51 H ILE 15 HN ILE 15 8.920 -1.025 0.176 52 HA ILE 15 HA ILE 15 10.875 -3.033 0.951 53 HB ILE 15 HB ILE 15 10.134 -0.614 2.558 54 HG12 ILE 15 HG12 ILE 15 11.982 -0.587 0.164 55 HG13 ILE 15 HG11 ILE 15 10.343 0.036 0.126 56 HG21 ILE 15 HG21 ILE 15 11.744 -2.212 3.475 57 HG22 ILE 15 HG22 ILE 15 12.517 -0.666 3.127 58 HG23 ILE 15 HG23 ILE 15 12.747 -2.033 2.037 59 HD11 ILE 15 HD11 ILE 15 12.578 1.057 1.880 60 HD12 ILE 15 HD12 ILE 15 10.940 1.705 1.798 61 HD13 ILE 15 HD13 ILE 15 12.001 1.809 0.393 62 H VAL 16 HN VAL 16 10.060 -4.744 2.005 63 HA VAL 16 HA VAL 16 7.529 -4.536 3.393 64 HB VAL 16 HB VAL 16 9.361 -6.921 3.095 65 HG11 VAL 16 HG11 VAL 16 7.431 -8.256 3.715 66 HG12 VAL 16 HG12 VAL 16 6.457 -6.799 3.891 67 HG13 VAL 16 HG13 VAL 16 7.806 -7.096 4.988 68 HG21 VAL 16 HG21 VAL 16 7.702 -7.647 1.380 69 HG22 VAL 16 HG22 VAL 16 8.693 -6.260 0.933 70 HG23 VAL 16 HG23 VAL 16 7.021 -6.019 1.440 71 H LEU 17 HN LEU 17 7.630 -3.602 5.337 72 HA LEU 17 HA LEU 17 9.725 -4.294 7.228 73 HB2 LEU 17 HB2 LEU 17 7.275 -2.571 7.539 74 HB3 LEU 17 HB1 LEU 17 8.517 -2.760 8.742 75 HG LEU 17 HG LEU 17 10.007 -1.885 6.739 76 HD11 LEU 17 HD11 LEU 17 7.311 -0.673 6.206 77 HD12 LEU 17 HD12 LEU 17 8.231 -1.718 5.122 78 HD13 LEU 17 HD13 LEU 17 8.834 -0.110 5.517 79 HD21 LEU 17 HD21 LEU 17 9.911 -0.880 8.934 80 HD22 LEU 17 HD22 LEU 17 8.350 -0.152 8.554 81 HD23 LEU 17 HD23 LEU 17 9.799 0.368 7.692 82 HA PRO 18 HA PRO 18 8.600 -7.739 9.576 83 HB2 PRO 18 HB2 PRO 18 6.879 -5.798 11.119 84 HB3 PRO 18 HB1 PRO 18 7.812 -7.170 11.728 85 HG2 PRO 18 HG2 PRO 18 8.757 -4.569 11.619 86 HG3 PRO 18 HG1 PRO 18 9.787 -6.010 11.666 87 HD2 PRO 18 HD2 PRO 18 9.584 -4.140 9.543 88 HD3 PRO 18 HD1 PRO 18 10.405 -5.716 9.494 89 HA PRO 19 HA PRO 19 4.225 -8.217 8.103 90 HB2 PRO 19 HB2 PRO 19 2.360 -8.701 9.962 91 HB3 PRO 19 HB1 PRO 19 3.692 -9.829 9.691 92 HG2 PRO 19 HG2 PRO 19 3.243 -7.948 11.927 93 HG3 PRO 19 HG1 PRO 19 4.150 -9.468 11.899 94 HD2 PRO 19 HD2 PRO 19 5.177 -6.798 11.692 95 HD3 PRO 19 HD1 PRO 19 6.080 -8.324 11.627 96 H ASN 20 HN ASN 20 4.728 -5.524 9.993 97 HA ASN 20 HA ASN 20 2.403 -4.174 8.891 98 HB2 ASN 20 HB2 ASN 20 2.890 -4.575 11.727 99 HB3 ASN 20 HB1 ASN 20 2.618 -2.917 11.290 100 HD21 ASN 20 HD21 ASN 20 0.733 -2.258 10.745 101 HD22 ASN 20 HD22 ASN 20 -0.663 -3.225 10.796 102 H TRP 21 HN TRP 21 2.620 -1.748 9.784 103 HA TRP 21 HA TRP 21 3.733 0.262 9.570 104 HB2 TRP 21 HB2 TRP 21 5.489 -1.053 10.858 105 HB3 TRP 21 HB1 TRP 21 6.221 -1.335 9.299 106 HD1 TRP 21 HD1 TRP 21 5.362 1.995 8.668 107 HE1 TRP 21 HE1 TRP 21 7.063 3.726 9.525 108 HE3 TRP 21 HE3 TRP 21 7.925 -0.956 11.956 109 HZ2 TRP 21 HZ2 TRP 21 9.213 3.820 11.351 110 HZ3 TRP 21 HZ3 TRP 21 9.789 0.030 13.220 111 HH2 TRP 21 HH2 TRP 21 10.419 2.371 12.922 112 H LYS 22 HN LYS 22 3.329 -1.993 7.470 113 HA LYS 22 HA LYS 22 4.701 -0.739 5.203 114 HB2 LYS 22 HB2 LYS 22 4.261 -3.166 4.271 115 HB3 LYS 22 HB1 LYS 22 5.647 -2.824 5.303 116 HG2 LYS 22 HG2 LYS 22 4.659 -3.738 7.147 117 HG3 LYS 22 HG1 LYS 22 3.035 -3.618 6.476 118 HD2 LYS 22 HD2 LYS 22 5.232 -5.541 5.662 119 HD3 LYS 22 HD1 LYS 22 3.732 -5.945 6.498 120 HE2 LYS 22 HE2 LYS 22 2.456 -5.246 4.522 121 HE3 LYS 22 HE1 LYS 22 3.965 -4.864 3.691 122 HZ1 LYS 22 HZ1 LYS 22 2.997 -7.528 4.560 123 HZ2 LYS 22 HZ2 LYS 22 4.588 -7.245 4.057 124 HZ3 LYS 22 HZ3 LYS 22 3.309 -7.000 2.976 125 H THR 23 HN THR 23 3.624 -1.524 3.091 126 HA THR 23 HA THR 23 0.722 -1.389 3.199 127 HB THR 23 HB THR 23 0.763 -0.163 1.102 128 HG1 THR 23 HG1 THR 23 3.154 0.761 0.826 129 HG21 THR 23 HG21 THR 23 2.466 1.065 3.261 130 HG22 THR 23 HG22 THR 23 0.706 1.155 3.122 131 HG23 THR 23 HG23 THR 23 1.731 1.972 1.938 132 H ALA 24 HN ALA 24 -0.153 -3.026 2.323 133 HA ALA 24 HA ALA 24 1.382 -4.838 0.581 134 HB1 ALA 24 HB1 ALA 24 1.165 -6.340 2.204 135 HB2 ALA 24 HB2 ALA 24 -0.552 -6.355 1.801 136 HB3 ALA 24 HB3 ALA 24 0.035 -5.314 3.094 137 H ARG 25 HN ARG 25 0.024 -6.203 -0.828 138 HA ARG 25 HA ARG 25 -2.531 -4.935 -1.442 139 HB2 ARG 25 HB2 ARG 25 -2.334 -6.024 -3.694 140 HB3 ARG 25 HB1 ARG 25 -1.182 -4.754 -3.340 141 HG2 ARG 25 HG2 ARG 25 0.515 -6.458 -2.787 142 HG3 ARG 25 HG1 ARG 25 -0.652 -7.701 -3.254 143 HD2 ARG 25 HD2 ARG 25 -0.813 -6.530 -5.466 144 HD3 ARG 25 HD1 ARG 25 0.583 -5.575 -4.976 145 HE ARG 25 HE ARG 25 1.168 -8.317 -4.642 146 HH11 ARG 25 HH11 ARG 25 0.721 -5.945 -7.181 147 HH12 ARG 25 HH12 ARG 25 1.763 -6.759 -8.306 148 HH21 ARG 25 HH21 ARG 25 2.522 -9.399 -6.116 149 HH22 ARG 25 HH22 ARG 25 2.787 -8.731 -7.697 150 H ASP 26 HN ASP 26 -4.259 -5.990 -1.641 151 HA ASP 26 HA ASP 26 -4.588 -8.648 -0.610 152 HB2 ASP 26 HB2 ASP 26 -6.293 -6.666 -0.723 153 HB3 ASP 26 HB1 ASP 26 -6.558 -7.188 -2.380 154 HA PRO 27 HA PRO 27 -3.679 -11.186 -4.207 155 HB2 PRO 27 HB2 PRO 27 -6.570 -11.969 -4.146 156 HB3 PRO 27 HB1 PRO 27 -5.136 -12.986 -4.347 157 HG2 PRO 27 HG2 PRO 27 -6.350 -12.857 -1.992 158 HG3 PRO 27 HG1 PRO 27 -4.580 -12.879 -2.092 159 HD2 PRO 27 HD2 PRO 27 -6.413 -10.628 -1.455 160 HD3 PRO 27 HD1 PRO 27 -4.755 -10.930 -0.899 161 H GLU 28 HN GLU 28 -6.410 -8.995 -4.298 162 HA GLU 28 HA GLU 28 -6.784 -9.140 -7.146 163 HB2 GLU 28 HB2 GLU 28 -8.121 -6.978 -6.619 164 HB3 GLU 28 HB1 GLU 28 -8.714 -8.521 -6.016 165 HG2 GLU 28 HG2 GLU 28 -7.742 -8.072 -3.844 166 HG3 GLU 28 HG1 GLU 28 -7.086 -6.542 -4.429 167 H GLY 29 HN GLY 29 -4.338 -7.889 -5.334 168 HA2 GLY 29 HA2 GLY 29 -2.515 -6.646 -6.065 169 HA3 GLY 29 HA1 GLY 29 -3.419 -6.203 -7.509 170 H LYS 30 HN LYS 30 -5.142 -5.767 -4.638 171 HA LYS 30 HA LYS 30 -4.913 -2.875 -5.008 172 HB2 LYS 30 HB2 LYS 30 -7.179 -3.807 -5.115 173 HB3 LYS 30 HB1 LYS 30 -6.981 -4.503 -3.514 174 HG2 LYS 30 HG2 LYS 30 -8.327 -2.476 -3.457 175 HG3 LYS 30 HG1 LYS 30 -6.830 -2.284 -2.544 176 HD2 LYS 30 HD2 LYS 30 -5.830 -1.067 -4.404 177 HD3 LYS 30 HD1 LYS 30 -7.298 -1.300 -5.358 178 HE2 LYS 30 HE2 LYS 30 -7.168 0.168 -2.725 179 HE3 LYS 30 HE1 LYS 30 -7.142 0.946 -4.307 180 HZ1 LYS 30 HZ1 LYS 30 -9.343 -0.786 -3.318 181 HZ2 LYS 30 HZ2 LYS 30 -9.319 0.086 -4.771 182 HZ3 LYS 30 HZ3 LYS 30 -9.363 0.908 -3.290 183 H ILE 31 HN ILE 31 -4.098 -1.591 -3.574 184 HA ILE 31 HA ILE 31 -2.544 -2.913 -1.506 185 HB ILE 31 HB ILE 31 -1.496 -1.601 -3.302 186 HG12 ILE 31 HG12 ILE 31 -0.635 -1.945 -0.839 187 HG13 ILE 31 HG11 ILE 31 0.235 -0.924 -1.956 188 HG21 ILE 31 HG21 ILE 31 -2.777 0.742 -1.936 189 HG22 ILE 31 HG22 ILE 31 -3.126 0.138 -3.554 190 HG23 ILE 31 HG23 ILE 31 -1.549 0.840 -3.198 191 HD11 ILE 31 HD11 ILE 31 0.057 0.074 0.244 192 HD12 ILE 31 HD12 ILE 31 -1.691 0.003 0.088 193 HD13 ILE 31 HD13 ILE 31 -0.768 1.043 -0.982 194 H TYR 32 HN TYR 32 -2.329 -2.204 0.525 195 HA TYR 32 HA TYR 32 -4.131 -0.254 1.654 196 HB2 TYR 32 HB2 TYR 32 -4.434 -3.216 2.231 197 HB3 TYR 32 HB1 TYR 32 -5.039 -1.964 3.314 198 HD1 TYR 32 HD2 TYR 32 -6.616 -0.202 2.226 199 HD2 TYR 32 HD1 TYR 32 -5.819 -4.026 0.546 200 HE1 TYR 32 HE2 TYR 32 -8.668 -0.033 0.892 201 HE2 TYR 32 HE1 TYR 32 -7.869 -3.867 -0.802 202 HH TYR 32 HH TYR 32 -9.995 -2.691 -0.780 203 H TYR 33 HN TYR 33 -3.527 0.078 3.973 204 HA TYR 33 HA TYR 33 -0.688 -0.469 4.160 205 HB2 TYR 33 HB2 TYR 33 -1.163 2.097 5.128 206 HB3 TYR 33 HB1 TYR 33 -0.471 1.713 3.576 207 HD1 TYR 33 HD2 TYR 33 -3.767 2.181 5.229 208 HD2 TYR 33 HD1 TYR 33 -1.532 2.458 1.622 209 HE1 TYR 33 HE2 TYR 33 -5.673 3.277 4.132 210 HE2 TYR 33 HE1 TYR 33 -3.432 3.558 0.519 211 HH TYR 33 HH TYR 33 -6.107 4.766 2.241 212 H TYR 34 HN TYR 34 -0.015 -0.878 6.226 213 HA TYR 34 HA TYR 34 -1.829 -0.247 8.459 214 HB2 TYR 34 HB2 TYR 34 -0.496 -2.956 8.278 215 HB3 TYR 34 HB1 TYR 34 -1.782 -2.447 9.361 216 HD1 TYR 34 HD1 TYR 34 -4.089 -2.236 8.528 217 HD2 TYR 34 HD2 TYR 34 -0.972 -3.801 6.094 218 HE1 TYR 34 HE1 TYR 34 -5.766 -3.170 6.996 219 HE2 TYR 34 HE2 TYR 34 -2.641 -4.736 4.550 220 HH TYR 34 HH TYR 34 -5.001 -5.438 4.600 221 H HIS 35 HN HIS 35 -0.737 0.497 10.216 222 HA HIS 35 HA HIS 35 2.173 0.115 10.153 223 HB2 HIS 35 HB2 HIS 35 0.526 2.439 11.068 224 HB3 HIS 35 HB1 HIS 35 2.145 2.196 11.715 225 HD1 HIS 35 HD1 HIS 35 0.850 1.915 8.133 226 HD2 HIS 35 HD2 HIS 35 3.708 3.963 10.350 227 HE1 HIS 35 HE1 HIS 35 2.187 3.230 6.458 228 HE2 HIS 35 HE2 HIS 35 3.813 4.570 7.831 229 H VAL 36 HN VAL 36 3.260 -0.602 11.874 230 HA VAL 36 HA VAL 36 2.089 -2.724 13.108 231 HB VAL 36 HB VAL 36 4.467 -1.387 14.349 232 HG11 VAL 36 HG11 VAL 36 5.183 -3.721 14.717 233 HG12 VAL 36 HG12 VAL 36 3.653 -4.271 14.032 234 HG13 VAL 36 HG13 VAL 36 3.665 -3.326 15.520 235 HG21 VAL 36 HG21 VAL 36 5.200 -1.308 12.181 236 HG22 VAL 36 HG22 VAL 36 4.261 -2.715 11.662 237 HG23 VAL 36 HG23 VAL 36 5.726 -2.926 12.643 238 H ILE 37 HN ILE 37 2.215 0.503 14.456 239 HA ILE 37 HA ILE 37 2.337 -0.120 17.155 240 HB ILE 37 HB ILE 37 1.155 2.102 17.524 241 HG12 ILE 37 HG12 ILE 37 0.087 2.003 15.152 242 HG13 ILE 37 HG11 ILE 37 0.676 3.548 15.765 243 HG21 ILE 37 HG21 ILE 37 3.674 2.012 15.878 244 HG22 ILE 37 HG22 ILE 37 3.556 1.856 17.630 245 HG23 ILE 37 HG23 ILE 37 3.137 3.381 16.850 246 HD11 ILE 37 HD11 ILE 37 2.728 3.276 14.447 247 HD12 ILE 37 HD12 ILE 37 1.276 3.269 13.446 248 HD13 ILE 37 HD13 ILE 37 2.102 1.753 13.813 249 H THR 38 HN THR 38 -0.583 0.557 15.283 250 HA THR 38 HA THR 38 -2.191 -0.576 17.457 251 HB THR 38 HB THR 38 -3.381 1.169 15.331 252 HG1 THR 38 HG1 THR 38 -1.973 2.115 17.643 253 HG21 THR 38 HG21 THR 38 -3.946 0.820 18.279 254 HG22 THR 38 HG22 THR 38 -4.839 0.061 16.962 255 HG23 THR 38 HG23 THR 38 -4.881 1.813 17.161 256 H ARG 39 HN ARG 39 -0.816 -1.347 14.665 257 HA ARG 39 HA ARG 39 -1.219 -2.612 12.813 258 HB2 ARG 39 HB2 ARG 39 -3.714 -3.646 14.151 259 HB3 ARG 39 HB1 ARG 39 -2.616 -4.496 13.063 260 HG2 ARG 39 HG2 ARG 39 -1.773 -3.500 15.767 261 HG3 ARG 39 HG1 ARG 39 -2.477 -5.114 15.524 262 HD2 ARG 39 HD2 ARG 39 0.008 -4.045 14.183 263 HD3 ARG 39 HD1 ARG 39 -0.009 -5.128 15.572 264 HE ARG 39 HE ARG 39 -1.032 -5.856 12.903 265 HH11 ARG 39 HH11 ARG 39 0.531 -6.663 15.922 266 HH12 ARG 39 HH12 ARG 39 0.858 -8.308 15.470 267 HH21 ARG 39 HH21 ARG 39 -0.568 -8.016 12.280 268 HH22 ARG 39 HH22 ARG 39 0.258 -9.067 13.391 269 H GLN 40 HN GLN 40 -2.142 -0.043 13.201 270 HA GLN 40 HA GLN 40 -4.769 0.396 12.292 271 HB2 GLN 40 HB2 GLN 40 -3.931 2.808 12.196 272 HB3 GLN 40 HB1 GLN 40 -4.055 2.035 13.760 273 HG2 GLN 40 HG2 GLN 40 -1.962 2.703 14.086 274 HG3 GLN 40 HG1 GLN 40 -1.531 1.434 12.945 275 HE21 GLN 40 HE21 GLN 40 -2.976 2.877 10.852 276 HE22 GLN 40 HE22 GLN 40 -1.865 4.074 10.298 277 H THR 41 HN THR 41 -5.399 1.635 10.658 278 HA THR 41 HA THR 41 -3.855 1.333 8.166 279 HB THR 41 HB THR 41 -6.730 2.118 8.262 280 HG1 THR 41 HG1 THR 41 -6.577 -0.549 8.028 281 HG21 THR 41 HG21 THR 41 -4.929 0.580 6.435 282 HG22 THR 41 HG22 THR 41 -5.794 2.084 6.098 283 HG23 THR 41 HG23 THR 41 -6.683 0.562 6.228 284 H GLN 42 HN GLN 42 -3.608 3.221 6.789 285 HA GLN 42 HA GLN 42 -3.996 5.701 8.345 286 HB2 GLN 42 HB2 GLN 42 -1.748 5.325 6.386 287 HB3 GLN 42 HB1 GLN 42 -1.881 6.505 7.677 288 HG2 GLN 42 HG2 GLN 42 -0.216 4.914 8.270 289 HG3 GLN 42 HG1 GLN 42 -1.623 4.652 9.303 290 HE21 GLN 42 HE21 GLN 42 -1.647 3.703 5.993 291 HE22 GLN 42 HE22 GLN 42 -1.673 1.981 6.280 292 H TRP 43 HN TRP 43 -3.661 7.679 6.979 293 HA TRP 43 HA TRP 43 -5.322 7.658 4.617 294 HB2 TRP 43 HB2 TRP 43 -4.013 9.664 6.357 295 HB3 TRP 43 HB1 TRP 43 -4.292 10.122 4.688 296 HD1 TRP 43 HD1 TRP 43 -6.063 9.544 7.976 297 HE1 TRP 43 HE1 TRP 43 -8.540 10.223 7.753 298 HE3 TRP 43 HE3 TRP 43 -6.259 10.215 2.912 299 HZ2 TRP 43 HZ2 TRP 43 -10.333 10.941 5.694 300 HZ3 TRP 43 HZ3 TRP 43 -8.391 10.897 1.893 301 HH2 TRP 43 HH2 TRP 43 -10.387 11.251 3.257 302 H ASP 44 HN ASP 44 -2.097 7.239 5.324 303 HA ASP 44 HA ASP 44 -0.557 8.406 3.459 304 HB2 ASP 44 HB2 ASP 44 1.025 6.758 4.011 305 HB3 ASP 44 HB1 ASP 44 0.067 6.991 5.442 306 HA PRO 45 HA PRO 45 -1.224 7.238 -0.559 307 HB2 PRO 45 HB2 PRO 45 1.174 6.405 -1.558 308 HB3 PRO 45 HB1 PRO 45 0.797 8.088 -1.173 309 HG2 PRO 45 HG2 PRO 45 2.261 6.056 0.476 310 HG3 PRO 45 HG1 PRO 45 2.688 7.749 0.156 311 HD2 PRO 45 HD2 PRO 45 1.529 7.039 2.450 312 HD3 PRO 45 HD1 PRO 45 1.095 8.559 1.640 313 HA PRO 46 HA PRO 46 -1.838 2.777 -0.942 314 HB2 PRO 46 HB2 PRO 46 -3.855 3.470 -2.877 315 HB3 PRO 46 HB1 PRO 46 -4.082 2.767 -1.275 316 HG2 PRO 46 HG2 PRO 46 -4.882 5.297 -1.964 317 HG3 PRO 46 HG1 PRO 46 -4.491 4.791 -0.310 318 HD2 PRO 46 HD2 PRO 46 -2.819 6.307 -2.275 319 HD3 PRO 46 HD1 PRO 46 -2.989 6.541 -0.520 320 H THR 47 HN THR 47 0.032 2.234 -2.169 321 HA THR 47 HA THR 47 -0.217 2.345 -4.990 322 HB THR 47 HB THR 47 0.252 4.679 -4.725 323 HG1 THR 47 HG1 THR 47 2.557 3.282 -5.674 324 HG21 THR 47 HG21 THR 47 1.468 4.005 -2.539 325 HG22 THR 47 HG22 THR 47 1.860 5.524 -3.355 326 HG23 THR 47 HG23 THR 47 2.916 4.115 -3.544 327 H TRP 48 HN TRP 48 0.631 0.606 -2.779 328 HA TRP 48 HA TRP 48 1.851 -1.250 -2.504 329 HB2 TRP 48 HB2 TRP 48 1.231 -1.606 -4.773 330 HB3 TRP 48 HB1 TRP 48 2.553 -0.603 -5.294 331 HD1 TRP 48 HD1 TRP 48 4.240 -2.173 -6.474 332 HE1 TRP 48 HE1 TRP 48 5.274 -4.481 -5.973 333 HE3 TRP 48 HE3 TRP 48 1.692 -3.294 -2.181 334 HZ2 TRP 48 HZ2 TRP 48 5.048 -6.492 -4.011 335 HZ3 TRP 48 HZ3 TRP 48 2.162 -5.431 -1.055 336 HH2 TRP 48 HH2 TRP 48 3.807 -6.996 -1.955 337 H GLU 49 HN GLU 49 3.804 1.172 -4.060 338 HA GLU 49 HA GLU 49 6.063 0.483 -2.486 339 HB2 GLU 49 HB2 GLU 49 6.983 2.630 -3.678 340 HB3 GLU 49 HB1 GLU 49 6.819 1.076 -4.509 341 HG2 GLU 49 HG2 GLU 49 4.662 1.763 -5.331 342 HG3 GLU 49 HG1 GLU 49 4.924 3.373 -4.671 343 H SER 50 HN SER 50 7.096 2.084 -1.070 344 HA SER 50 HA SER 50 5.612 4.105 0.176 345 HB2 SER 50 HB2 SER 50 5.312 1.317 1.264 346 HB3 SER 50 HB1 SER 50 4.960 2.759 2.221 347 HG SER 50 HG SER 50 3.730 2.863 -0.189 348 HA PRO 51 HA PRO 51 9.599 4.059 2.307 349 HB2 PRO 51 HB2 PRO 51 9.718 6.593 2.832 350 HB3 PRO 51 HB1 PRO 51 9.716 6.102 1.128 351 HG2 PRO 51 HG2 PRO 51 7.418 7.005 2.828 352 HG3 PRO 51 HG1 PRO 51 7.892 7.622 1.236 353 HD2 PRO 51 HD2 PRO 51 5.966 5.744 1.660 354 HD3 PRO 51 HD1 PRO 51 6.925 5.835 0.166 355 H GLY 52 HN GLY 52 6.923 3.504 3.541 356 HA2 GLY 52 HA2 GLY 52 6.248 3.141 5.749 357 HA3 GLY 52 HA1 GLY 52 7.463 4.301 6.253 358 H ASP 53 HN ASP 53 7.082 6.551 5.393 359 HA ASP 53 HA ASP 53 4.777 7.472 4.242 360 HB2 ASP 53 HB2 ASP 53 3.505 8.540 6.020 361 HB3 ASP 53 HB1 ASP 53 3.579 6.810 6.312 362 H ASP 54 HN ASP 54 5.768 9.060 3.198 363 HA ASP 54 HA ASP 54 7.395 10.997 4.604 364 HB2 ASP 54 HB2 ASP 54 8.768 8.850 4.203 365 HB3 ASP 54 HB1 ASP 54 8.731 9.324 2.514 366 H ALA 55 HN ALA 55 8.895 11.373 1.950 367 HA ALA 55 HA ALA 55 6.953 13.047 0.634 368 HB1 ALA 55 HB1 ALA 55 8.779 13.618 -0.882 369 HB2 ALA 55 HB2 ALA 55 9.764 12.327 -0.195 370 HB3 ALA 55 HB3 ALA 55 9.308 13.710 0.799 371 H SER 56 HN SER 56 6.749 10.037 0.750 372 HA SER 56 HA SER 56 6.116 9.612 -2.075 373 HB2 SER 56 HB2 SER 56 7.429 7.651 -0.170 374 HB3 SER 56 HB1 SER 56 6.812 7.203 -1.763 375 HG SER 56 HG SER 56 8.278 8.961 -2.526 Start of MODEL 5 1 H1 GLY 9 HT1 GLY 9 13.216 4.416 -12.327 2 H2 GLY 9 HT2 GLY 9 13.855 4.851 -10.817 3 H3 GLY 9 HT3 GLY 9 12.840 5.925 -11.649 4 HA2 GLY 9 HA1 GLY 9 10.965 4.481 -11.381 5 HA3 GLY 9 HA2 GLY 9 11.999 3.269 -10.633 6 H SER 10 HN SER 10 9.766 5.549 -9.972 7 HA SER 10 HA SER 10 10.971 6.574 -7.539 8 HB2 SER 10 HB2 SER 10 8.164 6.926 -8.611 9 HB3 SER 10 HB1 SER 10 8.888 7.830 -7.276 10 HG SER 10 HG SER 10 10.415 8.664 -8.757 11 H LYS 11 HN LYS 11 9.124 3.911 -8.494 12 HA LYS 11 HA LYS 11 8.087 3.463 -5.802 13 HB2 LYS 11 HB2 LYS 11 7.661 1.866 -8.340 14 HB3 LYS 11 HB1 LYS 11 6.862 1.578 -6.800 15 HG2 LYS 11 HG2 LYS 11 5.855 3.838 -6.954 16 HG3 LYS 11 HG1 LYS 11 6.576 4.008 -8.555 17 HD2 LYS 11 HD2 LYS 11 5.327 2.000 -9.285 18 HD3 LYS 11 HD1 LYS 11 4.557 1.934 -7.699 19 HE2 LYS 11 HE2 LYS 11 4.364 4.223 -9.660 20 HE3 LYS 11 HE1 LYS 11 3.120 3.009 -9.379 21 HZ1 LYS 11 HZ1 LYS 11 4.134 4.944 -7.356 22 HZ2 LYS 11 HZ2 LYS 11 2.918 3.790 -7.100 23 HZ3 LYS 11 HZ3 LYS 11 2.657 5.061 -8.183 24 HA PRO 12 HA PRO 12 11.700 1.118 -4.978 25 HB2 PRO 12 HB2 PRO 12 11.243 0.458 -2.468 26 HB3 PRO 12 HB1 PRO 12 11.524 2.152 -2.924 27 HG2 PRO 12 HG2 PRO 12 8.922 0.698 -2.697 28 HG3 PRO 12 HG1 PRO 12 9.407 2.172 -1.843 29 HD2 PRO 12 HD2 PRO 12 7.966 2.346 -4.047 30 HD3 PRO 12 HD1 PRO 12 9.329 3.461 -3.813 31 H LYS 13 HN LYS 13 12.429 -0.998 -4.390 32 HA LYS 13 HA LYS 13 10.820 -3.113 -5.298 33 HB2 LYS 13 HB2 LYS 13 12.539 -4.555 -4.085 34 HB3 LYS 13 HB1 LYS 13 13.131 -3.515 -5.367 35 HG2 LYS 13 HG2 LYS 13 13.747 -1.854 -3.600 36 HG3 LYS 13 HG1 LYS 13 13.365 -3.094 -2.405 37 HD2 LYS 13 HD2 LYS 13 15.720 -3.171 -2.777 38 HD3 LYS 13 HD1 LYS 13 15.020 -4.585 -3.564 39 HE2 LYS 13 HE2 LYS 13 16.674 -3.601 -5.015 40 HE3 LYS 13 HE1 LYS 13 15.074 -3.370 -5.717 41 HZ1 LYS 13 HZ1 LYS 13 16.448 -1.367 -5.864 42 HZ2 LYS 13 HZ2 LYS 13 16.573 -1.320 -4.172 43 HZ3 LYS 13 HZ3 LYS 13 15.066 -1.102 -4.916 44 H THR 14 HN THR 14 10.281 -4.993 -3.778 45 HA THR 14 HA THR 14 8.403 -3.912 -1.961 46 HB THR 14 HB THR 14 8.950 -6.735 -2.891 47 HG1 THR 14 HG1 THR 14 7.475 -4.581 -3.870 48 HG21 THR 14 HG21 THR 14 7.890 -6.575 -0.702 49 HG22 THR 14 HG22 THR 14 6.848 -7.335 -1.904 50 HG23 THR 14 HG23 THR 14 6.559 -5.664 -1.405 51 H ILE 15 HN ILE 15 10.047 -3.110 -0.606 52 HA ILE 15 HA ILE 15 11.653 -4.882 0.985 53 HB ILE 15 HB ILE 15 11.186 -1.945 1.430 54 HG12 ILE 15 HG12 ILE 15 13.145 -3.111 -0.549 55 HG13 ILE 15 HG11 ILE 15 11.556 -2.533 -1.049 56 HG21 ILE 15 HG21 ILE 15 12.553 -3.133 3.073 57 HG22 ILE 15 HG22 ILE 15 13.530 -1.991 2.148 58 HG23 ILE 15 HG23 ILE 15 13.606 -3.716 1.784 59 HD11 ILE 15 HD11 ILE 15 13.754 -0.901 0.253 60 HD12 ILE 15 HD12 ILE 15 12.156 -0.299 -0.193 61 HD13 ILE 15 HD13 ILE 15 13.269 -0.859 -1.442 62 H VAL 16 HN VAL 16 10.740 -5.967 2.600 63 HA VAL 16 HA VAL 16 8.144 -5.304 3.585 64 HB VAL 16 HB VAL 16 10.064 -7.392 4.615 65 HG11 VAL 16 HG11 VAL 16 8.033 -8.500 5.442 66 HG12 VAL 16 HG12 VAL 16 7.077 -7.120 4.904 67 HG13 VAL 16 HG13 VAL 16 8.275 -6.918 6.182 68 HG21 VAL 16 HG21 VAL 16 8.745 -8.953 3.207 69 HG22 VAL 16 HG22 VAL 16 9.726 -7.797 2.309 70 HG23 VAL 16 HG23 VAL 16 7.984 -7.549 2.455 71 H LEU 17 HN LEU 17 7.841 -3.698 4.979 72 HA LEU 17 HA LEU 17 9.714 -2.861 6.940 73 HB2 LEU 17 HB2 LEU 17 6.765 -2.389 6.625 74 HB3 LEU 17 HB1 LEU 17 7.693 -1.670 7.909 75 HG LEU 17 HG LEU 17 9.120 -0.778 5.913 76 HD11 LEU 17 HD11 LEU 17 6.456 -1.295 4.629 77 HD12 LEU 17 HD12 LEU 17 8.026 -1.904 4.110 78 HD13 LEU 17 HD13 LEU 17 7.666 -0.185 3.990 79 HD21 LEU 17 HD21 LEU 17 8.099 1.264 6.201 80 HD22 LEU 17 HD22 LEU 17 7.568 0.392 7.649 81 HD23 LEU 17 HD23 LEU 17 6.486 0.555 6.264 82 HA PRO 18 HA PRO 18 9.538 -5.783 10.192 83 HB2 PRO 18 HB2 PRO 18 8.805 -3.988 12.270 84 HB3 PRO 18 HB1 PRO 18 10.431 -4.515 11.840 85 HG2 PRO 18 HG2 PRO 18 8.983 -2.035 11.094 86 HG3 PRO 18 HG1 PRO 18 10.720 -2.300 11.333 87 HD2 PRO 18 HD2 PRO 18 9.695 -2.006 8.883 88 HD3 PRO 18 HD1 PRO 18 11.006 -3.168 9.191 89 HA PRO 19 HA PRO 19 5.686 -7.495 9.183 90 HB2 PRO 19 HB2 PRO 19 5.634 -7.958 12.143 91 HB3 PRO 19 HB1 PRO 19 5.180 -9.053 10.831 92 HG2 PRO 19 HG2 PRO 19 7.699 -8.945 12.028 93 HG3 PRO 19 HG1 PRO 19 7.339 -9.677 10.458 94 HD2 PRO 19 HD2 PRO 19 8.991 -7.439 10.911 95 HD3 PRO 19 HD1 PRO 19 8.345 -7.965 9.338 96 H ASN 20 HN ASN 20 5.464 -4.806 9.315 97 HA ASN 20 HA ASN 20 2.861 -4.267 9.134 98 HB2 ASN 20 HB2 ASN 20 2.831 -4.840 11.647 99 HB3 ASN 20 HB1 ASN 20 3.510 -3.259 11.894 100 HD21 ASN 20 HD21 ASN 20 1.186 -3.927 12.962 101 HD22 ASN 20 HD22 ASN 20 -0.041 -2.988 12.203 102 H TRP 21 HN TRP 21 2.540 -1.695 9.900 103 HA TRP 21 HA TRP 21 3.244 0.482 9.413 104 HB2 TRP 21 HB2 TRP 21 5.259 -0.269 10.726 105 HB3 TRP 21 HB1 TRP 21 5.942 -0.778 9.195 106 HD1 TRP 21 HD1 TRP 21 4.201 2.549 8.992 107 HE1 TRP 21 HE1 TRP 21 5.925 4.459 8.953 108 HE3 TRP 21 HE3 TRP 21 8.381 -0.118 10.240 109 HZ2 TRP 21 HZ2 TRP 21 8.698 4.788 9.403 110 HZ3 TRP 21 HZ3 TRP 21 10.525 1.068 10.424 111 HH2 TRP 21 HH2 TRP 21 10.683 3.471 10.014 112 H LYS 22 HN LYS 22 3.084 -1.924 7.534 113 HA LYS 22 HA LYS 22 4.631 -1.008 5.227 114 HB2 LYS 22 HB2 LYS 22 4.084 -3.500 4.561 115 HB3 LYS 22 HB1 LYS 22 5.415 -3.099 5.643 116 HG2 LYS 22 HG2 LYS 22 4.235 -3.688 7.515 117 HG3 LYS 22 HG1 LYS 22 2.676 -3.625 6.675 118 HD2 LYS 22 HD2 LYS 22 3.474 -5.581 5.277 119 HD3 LYS 22 HD1 LYS 22 4.869 -5.693 6.348 120 HE2 LYS 22 HE2 LYS 22 3.262 -7.293 7.086 121 HE3 LYS 22 HE1 LYS 22 3.284 -5.979 8.259 122 HZ1 LYS 22 HZ1 LYS 22 1.271 -6.354 6.103 123 HZ2 LYS 22 HZ2 LYS 22 1.291 -5.080 7.216 124 HZ3 LYS 22 HZ3 LYS 22 1.026 -6.663 7.753 125 H THR 23 HN THR 23 3.737 -2.104 3.146 126 HA THR 23 HA THR 23 0.915 -1.511 2.797 127 HB THR 23 HB THR 23 1.442 -0.595 0.598 128 HG1 THR 23 HG1 THR 23 3.531 -1.846 0.486 129 HG21 THR 23 HG21 THR 23 3.001 0.627 2.859 130 HG22 THR 23 HG22 THR 23 1.329 0.982 2.408 131 HG23 THR 23 HG23 THR 23 2.653 1.452 1.337 132 H ALA 24 HN ALA 24 -0.102 -3.111 1.965 133 HA ALA 24 HA ALA 24 1.216 -5.035 0.188 134 HB1 ALA 24 HB1 ALA 24 1.005 -6.665 1.659 135 HB2 ALA 24 HB2 ALA 24 -0.735 -6.423 1.613 136 HB3 ALA 24 HB3 ALA 24 0.233 -5.566 2.805 137 H ARG 25 HN ARG 25 -0.445 -6.389 -1.014 138 HA ARG 25 HA ARG 25 -3.010 -4.991 -1.312 139 HB2 ARG 25 HB2 ARG 25 -1.763 -6.437 -3.557 140 HB3 ARG 25 HB1 ARG 25 -3.149 -5.403 -3.618 141 HG2 ARG 25 HG2 ARG 25 -1.728 -3.468 -3.271 142 HG3 ARG 25 HG1 ARG 25 -0.303 -4.516 -3.188 143 HD2 ARG 25 HD2 ARG 25 -0.455 -5.114 -5.427 144 HD3 ARG 25 HD1 ARG 25 -2.154 -4.651 -5.538 145 HE ARG 25 HE ARG 25 -0.890 -2.301 -5.066 146 HH11 ARG 25 HH11 ARG 25 -0.352 -4.860 -7.399 147 HH12 ARG 25 HH12 ARG 25 0.205 -3.778 -8.646 148 HH21 ARG 25 HH21 ARG 25 -0.157 -0.871 -6.716 149 HH22 ARG 25 HH22 ARG 25 0.325 -1.524 -8.254 150 H ASP 26 HN ASP 26 -4.753 -6.205 -1.432 151 HA ASP 26 HA ASP 26 -4.599 -9.040 -0.943 152 HB2 ASP 26 HB2 ASP 26 -6.682 -6.992 -0.941 153 HB3 ASP 26 HB1 ASP 26 -7.210 -8.453 -1.767 154 HA PRO 27 HA PRO 27 -4.104 -10.900 -4.742 155 HB2 PRO 27 HB2 PRO 27 -6.546 -12.167 -5.312 156 HB3 PRO 27 HB1 PRO 27 -5.191 -12.837 -4.402 157 HG2 PRO 27 HG2 PRO 27 -7.673 -11.521 -3.411 158 HG3 PRO 27 HG1 PRO 27 -6.779 -12.896 -2.734 159 HD2 PRO 27 HD2 PRO 27 -6.589 -10.498 -1.616 160 HD3 PRO 27 HD1 PRO 27 -5.146 -11.520 -1.791 161 H GLU 28 HN GLU 28 -6.742 -8.679 -4.669 162 HA GLU 28 HA GLU 28 -7.318 -8.914 -7.490 163 HB2 GLU 28 HB2 GLU 28 -8.819 -6.913 -6.928 164 HB3 GLU 28 HB1 GLU 28 -9.216 -8.474 -6.219 165 HG2 GLU 28 HG2 GLU 28 -8.224 -7.832 -4.130 166 HG3 GLU 28 HG1 GLU 28 -7.664 -6.308 -4.814 167 H GLY 29 HN GLY 29 -5.014 -7.271 -5.632 168 HA2 GLY 29 HA2 GLY 29 -3.284 -6.037 -6.686 169 HA3 GLY 29 HA1 GLY 29 -4.412 -5.581 -7.952 170 H LYS 30 HN LYS 30 -5.775 -5.309 -4.869 171 HA LYS 30 HA LYS 30 -5.436 -2.399 -4.998 172 HB2 LYS 30 HB2 LYS 30 -7.486 -4.160 -3.699 173 HB3 LYS 30 HB1 LYS 30 -7.194 -2.560 -3.040 174 HG2 LYS 30 HG2 LYS 30 -8.986 -2.248 -4.469 175 HG3 LYS 30 HG1 LYS 30 -7.602 -1.715 -5.423 176 HD2 LYS 30 HD2 LYS 30 -7.614 -3.663 -6.723 177 HD3 LYS 30 HD1 LYS 30 -8.663 -4.518 -5.590 178 HE2 LYS 30 HE2 LYS 30 -10.399 -2.708 -6.136 179 HE3 LYS 30 HE1 LYS 30 -9.363 -2.321 -7.511 180 HZ1 LYS 30 HZ1 LYS 30 -11.181 -3.902 -8.014 181 HZ2 LYS 30 HZ2 LYS 30 -10.454 -5.023 -6.967 182 HZ3 LYS 30 HZ3 LYS 30 -9.634 -4.508 -8.365 183 H ILE 31 HN ILE 31 -4.130 -1.434 -3.802 184 HA ILE 31 HA ILE 31 -2.649 -2.914 -1.801 185 HB ILE 31 HB ILE 31 -1.613 -1.591 -3.653 186 HG12 ILE 31 HG12 ILE 31 -0.532 -2.225 -1.376 187 HG13 ILE 31 HG11 ILE 31 0.282 -1.072 -2.404 188 HG21 ILE 31 HG21 ILE 31 -3.020 0.336 -3.693 189 HG22 ILE 31 HG22 ILE 31 -1.362 0.838 -3.353 190 HG23 ILE 31 HG23 ILE 31 -2.546 0.768 -2.048 191 HD11 ILE 31 HD11 ILE 31 0.237 -0.504 0.012 192 HD12 ILE 31 HD12 ILE 31 -1.500 -0.273 -0.174 193 HD13 ILE 31 HD13 ILE 31 -0.378 0.745 -1.070 194 H TYR 32 HN TYR 32 -2.241 -2.018 0.288 195 HA TYR 32 HA TYR 32 -3.980 0.048 1.273 196 HB2 TYR 32 HB2 TYR 32 -5.099 -1.321 2.964 197 HB3 TYR 32 HB1 TYR 32 -5.509 -1.894 1.356 198 HD1 TYR 32 HD1 TYR 32 -4.620 -4.048 0.541 199 HD2 TYR 32 HD2 TYR 32 -3.880 -2.709 4.515 200 HE1 TYR 32 HE1 TYR 32 -3.923 -6.319 1.173 201 HE2 TYR 32 HE2 TYR 32 -3.188 -4.980 5.157 202 HH TYR 32 HH TYR 32 -2.459 -7.370 2.925 203 H TYR 33 HN TYR 33 -3.472 0.374 3.656 204 HA TYR 33 HA TYR 33 -0.634 -0.177 3.946 205 HB2 TYR 33 HB2 TYR 33 -1.762 2.259 3.554 206 HB3 TYR 33 HB1 TYR 33 -1.805 2.186 5.292 207 HD1 TYR 33 HD2 TYR 33 0.609 1.137 6.200 208 HD2 TYR 33 HD1 TYR 33 -0.002 3.546 2.752 209 HE1 TYR 33 HE2 TYR 33 2.958 1.859 6.296 210 HE2 TYR 33 HE1 TYR 33 2.344 4.269 2.837 211 HH TYR 33 HH TYR 33 4.673 2.761 4.803 212 H TYR 34 HN TYR 34 0.045 -0.485 6.006 213 HA TYR 34 HA TYR 34 -1.956 -0.879 8.128 214 HB2 TYR 34 HB2 TYR 34 -0.600 -2.931 6.735 215 HB3 TYR 34 HB1 TYR 34 0.239 -2.787 8.270 216 HD1 TYR 34 HD1 TYR 34 -1.071 -3.073 10.397 217 HD2 TYR 34 HD2 TYR 34 -2.701 -4.000 6.579 218 HE1 TYR 34 HE1 TYR 34 -2.820 -4.420 11.475 219 HE2 TYR 34 HE2 TYR 34 -4.448 -5.357 7.650 220 HH TYR 34 HH TYR 34 -4.815 -6.557 9.735 221 H HIS 35 HN HIS 35 -1.212 -0.112 10.157 222 HA HIS 35 HA HIS 35 1.675 0.494 10.218 223 HB2 HIS 35 HB2 HIS 35 -0.619 2.215 11.097 224 HB3 HIS 35 HB1 HIS 35 0.966 2.396 11.842 225 HD1 HIS 35 HD1 HIS 35 -0.808 4.221 9.627 226 HD2 HIS 35 HD2 HIS 35 2.874 2.336 9.260 227 HE1 HIS 35 HE1 HIS 35 0.388 5.438 7.785 228 HE2 HIS 35 HE2 HIS 35 2.719 4.470 7.810 229 H VAL 36 HN VAL 36 2.804 -0.163 11.845 230 HA VAL 36 HA VAL 36 2.045 -2.368 13.302 231 HB VAL 36 HB VAL 36 4.230 -0.561 14.257 232 HG11 VAL 36 HG11 VAL 36 5.377 -2.680 14.707 233 HG12 VAL 36 HG12 VAL 36 3.966 -3.560 14.117 234 HG13 VAL 36 HG13 VAL 36 3.840 -2.560 15.564 235 HG21 VAL 36 HG21 VAL 36 5.028 -0.513 12.191 236 HG22 VAL 36 HG22 VAL 36 3.889 -1.754 11.614 237 HG23 VAL 36 HG23 VAL 36 5.410 -2.222 12.425 238 H ILE 37 HN ILE 37 1.789 0.922 14.315 239 HA ILE 37 HA ILE 37 2.221 0.657 17.042 240 HB ILE 37 HB ILE 37 0.731 2.662 17.372 241 HG12 ILE 37 HG12 ILE 37 -0.592 2.136 15.168 242 HG13 ILE 37 HG11 ILE 37 -0.274 3.804 15.631 243 HG21 ILE 37 HG21 ILE 37 3.120 2.846 17.142 244 HG22 ILE 37 HG22 ILE 37 2.333 4.188 16.313 245 HG23 ILE 37 HG23 ILE 37 2.982 2.838 15.383 246 HD11 ILE 37 HD11 ILE 37 0.088 3.433 13.259 247 HD12 ILE 37 HD12 ILE 37 1.313 2.221 13.633 248 HD13 ILE 37 HD13 ILE 37 1.578 3.909 14.074 249 H THR 38 HN THR 38 -0.939 0.627 15.484 250 HA THR 38 HA THR 38 -2.049 -0.668 17.866 251 HB THR 38 HB THR 38 -3.659 0.881 15.821 252 HG1 THR 38 HG1 THR 38 -3.174 2.690 16.834 253 HG21 THR 38 HG21 THR 38 -4.847 -0.731 17.288 254 HG22 THR 38 HG22 THR 38 -5.350 0.937 17.558 255 HG23 THR 38 HG23 THR 38 -4.252 0.151 18.693 256 H ARG 39 HN ARG 39 -0.796 -1.192 15.012 257 HA ARG 39 HA ARG 39 -1.013 -2.529 13.222 258 HB2 ARG 39 HB2 ARG 39 -2.879 -4.118 14.984 259 HB3 ARG 39 HB1 ARG 39 -1.980 -4.710 13.583 260 HG2 ARG 39 HG2 ARG 39 0.121 -4.212 14.718 261 HG3 ARG 39 HG1 ARG 39 -0.778 -3.623 16.124 262 HD2 ARG 39 HD2 ARG 39 -0.027 -5.899 16.528 263 HD3 ARG 39 HD1 ARG 39 -1.781 -5.904 16.328 264 HE ARG 39 HE ARG 39 -0.052 -6.530 14.033 265 HH11 ARG 39 HH11 ARG 39 -2.359 -7.601 16.436 266 HH12 ARG 39 HH12 ARG 39 -2.845 -8.996 15.529 267 HH21 ARG 39 HH21 ARG 39 -0.677 -8.358 12.841 268 HH22 ARG 39 HH22 ARG 39 -1.891 -9.435 13.475 269 H GLN 40 HN GLN 40 -2.382 -0.305 13.275 270 HA GLN 40 HA GLN 40 -5.102 -0.596 12.558 271 HB2 GLN 40 HB2 GLN 40 -4.838 1.856 11.981 272 HB3 GLN 40 HB1 GLN 40 -4.686 1.400 13.662 273 HG2 GLN 40 HG2 GLN 40 -2.774 2.521 13.661 274 HG3 GLN 40 HG1 GLN 40 -2.149 1.212 12.657 275 HE21 GLN 40 HE21 GLN 40 -4.072 1.928 10.579 276 HE22 GLN 40 HE22 GLN 40 -3.344 3.250 9.726 277 H THR 41 HN THR 41 -6.009 0.182 10.694 278 HA THR 41 HA THR 41 -4.328 -0.090 8.301 279 HB THR 41 HB THR 41 -6.995 -1.424 8.317 280 HG1 THR 41 HG1 THR 41 -5.453 -2.111 10.146 281 HG21 THR 41 HG21 THR 41 -4.438 -1.480 6.815 282 HG22 THR 41 HG22 THR 41 -6.102 -1.466 6.206 283 HG23 THR 41 HG23 THR 41 -5.410 -2.960 6.850 284 H GLN 42 HN GLN 42 -4.984 1.091 6.548 285 HA GLN 42 HA GLN 42 -7.454 2.670 6.819 286 HB2 GLN 42 HB2 GLN 42 -5.207 3.198 4.868 287 HB3 GLN 42 HB1 GLN 42 -6.495 4.289 5.343 288 HG2 GLN 42 HG2 GLN 42 -4.504 5.097 6.313 289 HG3 GLN 42 HG1 GLN 42 -5.439 4.369 7.618 290 HE21 GLN 42 HE21 GLN 42 -3.979 2.258 5.403 291 HE22 GLN 42 HE22 GLN 42 -2.713 1.672 6.432 292 H TRP 43 HN TRP 43 -8.569 3.039 4.719 293 HA TRP 43 HA TRP 43 -8.426 0.670 2.981 294 HB2 TRP 43 HB2 TRP 43 -10.552 2.155 4.009 295 HB3 TRP 43 HB1 TRP 43 -10.471 2.610 2.313 296 HD1 TRP 43 HD1 TRP 43 -12.029 1.162 0.906 297 HE1 TRP 43 HE1 TRP 43 -12.781 -1.301 0.908 298 HE3 TRP 43 HE3 TRP 43 -9.440 -0.469 5.000 299 HZ2 TRP 43 HZ2 TRP 43 -12.324 -3.631 2.443 300 HZ3 TRP 43 HZ3 TRP 43 -9.646 -2.827 5.669 301 HH2 TRP 43 HH2 TRP 43 -11.060 -4.374 4.413 302 H ASP 44 HN ASP 44 -7.465 3.786 3.317 303 HA ASP 44 HA ASP 44 -7.258 4.812 0.726 304 HB2 ASP 44 HB2 ASP 44 -6.774 6.110 2.769 305 HB3 ASP 44 HB1 ASP 44 -5.339 5.133 3.052 306 HA PRO 45 HA PRO 45 -4.242 1.815 -0.732 307 HB2 PRO 45 HB2 PRO 45 -5.032 2.053 -3.350 308 HB3 PRO 45 HB1 PRO 45 -5.855 1.051 -2.153 309 HG2 PRO 45 HG2 PRO 45 -6.804 3.445 -3.444 310 HG3 PRO 45 HG1 PRO 45 -7.667 2.390 -2.315 311 HD2 PRO 45 HD2 PRO 45 -6.283 4.945 -1.812 312 HD3 PRO 45 HD1 PRO 45 -7.543 4.135 -0.858 313 HA PRO 46 HA PRO 46 -1.507 5.225 -2.089 314 HB2 PRO 46 HB2 PRO 46 0.656 3.868 -0.756 315 HB3 PRO 46 HB1 PRO 46 -0.111 5.407 -0.337 316 HG2 PRO 46 HG2 PRO 46 -0.325 3.136 1.182 317 HG3 PRO 46 HG1 PRO 46 -1.525 4.439 1.169 318 HD2 PRO 46 HD2 PRO 46 -1.578 1.801 -0.251 319 HD3 PRO 46 HD1 PRO 46 -2.897 2.671 0.565 320 H THR 47 HN THR 47 0.438 2.251 -1.686 321 HA THR 47 HA THR 47 1.038 1.958 -4.446 322 HB THR 47 HB THR 47 3.167 3.307 -2.746 323 HG1 THR 47 HG1 THR 47 2.263 5.149 -3.253 324 HG21 THR 47 HG21 THR 47 4.110 2.000 -4.479 325 HG22 THR 47 HG22 THR 47 4.214 3.678 -4.990 326 HG23 THR 47 HG23 THR 47 2.978 2.619 -5.669 327 H TRP 48 HN TRP 48 1.636 0.040 -4.649 328 HA TRP 48 HA TRP 48 2.003 -1.834 -2.647 329 HB2 TRP 48 HB2 TRP 48 1.293 -2.375 -4.848 330 HB3 TRP 48 HB1 TRP 48 2.755 -1.719 -5.529 331 HD1 TRP 48 HD1 TRP 48 3.890 -3.729 -6.636 332 HE1 TRP 48 HE1 TRP 48 4.661 -6.061 -5.871 333 HE3 TRP 48 HE3 TRP 48 1.832 -3.771 -1.950 334 HZ2 TRP 48 HZ2 TRP 48 4.436 -7.695 -3.584 335 HZ3 TRP 48 HZ3 TRP 48 2.163 -5.758 -0.541 336 HH2 TRP 48 HH2 TRP 48 3.437 -7.678 -1.341 337 H GLU 49 HN GLU 49 4.145 0.273 -4.160 338 HA GLU 49 HA GLU 49 6.496 -0.946 -2.958 339 HB2 GLU 49 HB2 GLU 49 6.394 1.049 -5.220 340 HB3 GLU 49 HB1 GLU 49 7.763 0.060 -4.739 341 HG2 GLU 49 HG2 GLU 49 5.202 -1.133 -5.772 342 HG3 GLU 49 HG1 GLU 49 6.475 -0.591 -6.856 343 H SER 50 HN SER 50 6.407 0.115 -0.974 344 HA SER 50 HA SER 50 6.415 3.037 -1.074 345 HB2 SER 50 HB2 SER 50 5.084 1.263 0.977 346 HB3 SER 50 HB1 SER 50 5.291 3.005 1.161 347 HG SER 50 HG SER 50 3.665 1.575 -0.634 348 HA PRO 51 HA PRO 51 10.280 2.473 1.178 349 HB2 PRO 51 HB2 PRO 51 11.211 4.889 0.682 350 HB3 PRO 51 HB1 PRO 51 11.136 3.696 -0.625 351 HG2 PRO 51 HG2 PRO 51 9.135 5.817 0.084 352 HG3 PRO 51 HG1 PRO 51 9.907 5.545 -1.491 353 HD2 PRO 51 HD2 PRO 51 7.479 4.622 -0.908 354 HD3 PRO 51 HD1 PRO 51 8.608 3.669 -1.897 355 H GLY 52 HN GLY 52 7.613 3.350 2.231 356 HA2 GLY 52 HA2 GLY 52 7.020 4.072 4.387 357 HA3 GLY 52 HA1 GLY 52 8.521 4.977 4.434 358 H ASP 53 HN ASP 53 8.700 6.751 2.746 359 HA ASP 53 HA ASP 53 6.454 7.799 1.456 360 HB2 ASP 53 HB2 ASP 53 5.646 8.334 3.734 361 HB3 ASP 53 HB1 ASP 53 7.130 9.230 4.047 362 H ASP 54 HN ASP 54 7.846 8.102 -0.188 363 HA ASP 54 HA ASP 54 9.922 10.129 0.135 364 HB2 ASP 54 HB2 ASP 54 10.918 7.924 0.707 365 HB3 ASP 54 HB1 ASP 54 10.491 7.370 -0.900 366 H ALA 55 HN ALA 55 10.548 8.264 -2.569 367 HA ALA 55 HA ALA 55 9.250 10.026 -4.408 368 HB1 ALA 55 HB1 ALA 55 10.510 7.320 -4.881 369 HB2 ALA 55 HB2 ALA 55 11.339 8.874 -4.965 370 HB3 ALA 55 HB3 ALA 55 10.069 8.491 -6.127 371 H SER 56 HN SER 56 8.448 7.177 -2.742 372 HA SER 56 HA SER 56 5.783 7.160 -3.964 373 HB2 SER 56 HB2 SER 56 7.429 4.881 -2.837 374 HB3 SER 56 HB1 SER 56 5.700 4.725 -3.156 375 HG SER 56 HG SER 56 7.792 5.271 -5.006 Start of MODEL 6 1 H1 GLY 9 HT1 GLY 9 17.628 -3.256 -10.500 2 H2 GLY 9 HT2 GLY 9 18.108 -4.700 -9.745 3 H3 GLY 9 HT3 GLY 9 17.930 -3.281 -8.830 4 HA2 GLY 9 HA1 GLY 9 15.717 -4.652 -10.248 5 HA3 GLY 9 HA2 GLY 9 16.070 -4.840 -8.535 6 H SER 10 HN SER 10 13.727 -4.042 -8.572 7 HA SER 10 HA SER 10 13.720 -1.093 -8.610 8 HB2 SER 10 HB2 SER 10 12.102 -2.215 -10.161 9 HB3 SER 10 HB1 SER 10 11.328 -2.944 -8.755 10 HG SER 10 HG SER 10 10.424 -1.087 -8.258 11 H LYS 11 HN LYS 11 13.420 -0.050 -6.733 12 HA LYS 11 HA LYS 11 12.888 -1.689 -4.371 13 HB2 LYS 11 HB2 LYS 11 14.316 0.925 -4.742 14 HB3 LYS 11 HB1 LYS 11 13.710 0.445 -3.162 15 HG2 LYS 11 HG2 LYS 11 15.035 -1.627 -3.318 16 HG3 LYS 11 HG1 LYS 11 15.691 -1.060 -4.855 17 HD2 LYS 11 HD2 LYS 11 16.734 0.814 -3.783 18 HD3 LYS 11 HD1 LYS 11 15.931 0.442 -2.256 19 HE2 LYS 11 HE2 LYS 11 17.938 -1.333 -3.641 20 HE3 LYS 11 HE1 LYS 11 18.287 -0.268 -2.281 21 HZ1 LYS 11 HZ1 LYS 11 16.657 -1.520 -0.966 22 HZ2 LYS 11 HZ2 LYS 11 17.936 -2.497 -1.498 23 HZ3 LYS 11 HZ3 LYS 11 16.425 -2.591 -2.262 24 HA PRO 12 HA PRO 12 8.881 0.194 -4.280 25 HB2 PRO 12 HB2 PRO 12 7.903 -1.242 -2.282 26 HB3 PRO 12 HB1 PRO 12 8.273 -1.994 -3.840 27 HG2 PRO 12 HG2 PRO 12 9.983 -1.848 -1.395 28 HG3 PRO 12 HG1 PRO 12 9.511 -3.302 -2.290 29 HD2 PRO 12 HD2 PRO 12 11.855 -2.139 -2.716 30 HD3 PRO 12 HD1 PRO 12 10.915 -2.805 -4.065 31 H LYS 13 HN LYS 13 7.655 1.480 -2.875 32 HA LYS 13 HA LYS 13 9.105 2.847 -0.794 33 HB2 LYS 13 HB2 LYS 13 6.238 3.245 -1.637 34 HB3 LYS 13 HB1 LYS 13 7.206 4.337 -0.664 35 HG2 LYS 13 HG2 LYS 13 7.579 3.703 -3.584 36 HG3 LYS 13 HG1 LYS 13 7.023 5.223 -2.883 37 HD2 LYS 13 HD2 LYS 13 9.755 3.988 -2.548 38 HD3 LYS 13 HD1 LYS 13 9.359 5.390 -3.541 39 HE2 LYS 13 HE2 LYS 13 8.738 6.652 -1.570 40 HE3 LYS 13 HE1 LYS 13 9.003 5.239 -0.550 41 HZ1 LYS 13 HZ1 LYS 13 11.347 5.271 -1.276 42 HZ2 LYS 13 HZ2 LYS 13 10.902 6.651 -0.400 43 HZ3 LYS 13 HZ3 LYS 13 11.056 6.733 -2.087 44 H THR 14 HN THR 14 8.103 3.130 1.357 45 HA THR 14 HA THR 14 7.893 1.957 3.314 46 HB THR 14 HB THR 14 5.132 1.334 2.324 47 HG1 THR 14 HG1 THR 14 5.246 3.353 1.535 48 HG21 THR 14 HG21 THR 14 6.281 2.490 4.863 49 HG22 THR 14 HG22 THR 14 5.678 0.845 4.646 50 HG23 THR 14 HG23 THR 14 4.562 2.210 4.567 51 H ILE 15 HN ILE 15 9.321 0.278 2.825 52 HA ILE 15 HA ILE 15 8.483 -2.084 1.436 53 HB ILE 15 HB ILE 15 11.127 -1.648 2.807 54 HG12 ILE 15 HG12 ILE 15 10.322 -0.615 0.073 55 HG13 ILE 15 HG11 ILE 15 10.512 0.392 1.506 56 HG21 ILE 15 HG21 ILE 15 10.327 -3.122 0.296 57 HG22 ILE 15 HG22 ILE 15 10.711 -3.853 1.855 58 HG23 ILE 15 HG23 ILE 15 11.965 -3.011 0.944 59 HD11 ILE 15 HD11 ILE 15 12.464 0.506 0.036 60 HD12 ILE 15 HD12 ILE 15 12.698 -1.233 0.204 61 HD13 ILE 15 HD13 ILE 15 12.880 -0.180 1.607 62 H VAL 16 HN VAL 16 8.637 -4.205 2.419 63 HA VAL 16 HA VAL 16 6.975 -4.165 4.654 64 HB VAL 16 HB VAL 16 8.552 -6.503 3.566 65 HG11 VAL 16 HG11 VAL 16 6.087 -6.462 5.304 66 HG12 VAL 16 HG12 VAL 16 7.705 -6.948 5.807 67 HG13 VAL 16 HG13 VAL 16 6.832 -7.900 4.606 68 HG21 VAL 16 HG21 VAL 16 6.390 -7.049 2.435 69 HG22 VAL 16 HG22 VAL 16 7.242 -5.636 1.818 70 HG23 VAL 16 HG23 VAL 16 5.838 -5.430 2.865 71 H LEU 17 HN LEU 17 7.680 -3.384 6.520 72 HA LEU 17 HA LEU 17 10.048 -4.347 7.820 73 HB2 LEU 17 HB2 LEU 17 7.620 -2.943 8.930 74 HB3 LEU 17 HB1 LEU 17 9.080 -3.246 9.822 75 HG LEU 17 HG LEU 17 10.171 -1.846 7.941 76 HD11 LEU 17 HD11 LEU 17 7.312 -0.954 7.743 77 HD12 LEU 17 HD12 LEU 17 8.290 -1.666 6.453 78 HD13 LEU 17 HD13 LEU 17 8.689 -0.067 7.089 79 HD21 LEU 17 HD21 LEU 17 10.055 -1.216 10.300 80 HD22 LEU 17 HD22 LEU 17 8.443 -0.548 10.025 81 HD23 LEU 17 HD23 LEU 17 9.847 0.175 9.236 82 HA PRO 18 HA PRO 18 9.481 -8.304 9.111 83 HB2 PRO 18 HB2 PRO 18 8.333 -7.411 11.730 84 HB3 PRO 18 HB1 PRO 18 9.487 -8.705 11.391 85 HG2 PRO 18 HG2 PRO 18 10.198 -6.164 12.183 86 HG3 PRO 18 HG1 PRO 18 11.255 -7.269 11.292 87 HD2 PRO 18 HD2 PRO 18 10.152 -4.776 10.392 88 HD3 PRO 18 HD1 PRO 18 11.179 -5.902 9.483 89 HA PRO 19 HA PRO 19 4.939 -8.853 9.020 90 HB2 PRO 19 HB2 PRO 19 3.344 -8.365 11.097 91 HB3 PRO 19 HB1 PRO 19 4.679 -9.516 11.231 92 HG2 PRO 19 HG2 PRO 19 4.417 -6.815 12.395 93 HG3 PRO 19 HG1 PRO 19 5.453 -8.159 12.903 94 HD2 PRO 19 HD2 PRO 19 6.112 -5.880 11.196 95 HD3 PRO 19 HD1 PRO 19 7.200 -7.100 11.897 96 H ASN 20 HN ASN 20 5.275 -5.466 9.805 97 HA ASN 20 HA ASN 20 3.129 -4.702 8.140 98 HB2 ASN 20 HB2 ASN 20 1.929 -5.515 10.165 99 HB3 ASN 20 HB1 ASN 20 2.636 -4.221 11.084 100 HD21 ASN 20 HD21 ASN 20 0.549 -3.555 11.516 101 HD22 ASN 20 HD22 ASN 20 -0.305 -2.619 10.355 102 H TRP 21 HN TRP 21 2.717 -2.072 9.505 103 HA TRP 21 HA TRP 21 3.694 -0.001 9.476 104 HB2 TRP 21 HB2 TRP 21 6.037 -1.765 9.523 105 HB3 TRP 21 HB1 TRP 21 6.220 -0.102 9.062 106 HD1 TRP 21 HD1 TRP 21 4.332 1.314 11.150 107 HE1 TRP 21 HE1 TRP 21 5.001 1.413 13.635 108 HE3 TRP 21 HE3 TRP 21 7.662 -2.560 11.247 109 HZ2 TRP 21 HZ2 TRP 21 6.722 0.029 15.397 110 HZ3 TRP 21 HZ3 TRP 21 8.784 -3.101 13.365 111 HH2 TRP 21 HH2 TRP 21 8.324 -1.834 15.397 112 H LYS 22 HN LYS 22 3.416 -2.131 7.222 113 HA LYS 22 HA LYS 22 4.943 -0.845 5.086 114 HB2 LYS 22 HB2 LYS 22 3.990 -3.153 4.017 115 HB3 LYS 22 HB1 LYS 22 5.542 -3.005 4.835 116 HG2 LYS 22 HG2 LYS 22 4.755 -3.944 6.770 117 HG3 LYS 22 HG1 LYS 22 3.079 -3.549 6.394 118 HD2 LYS 22 HD2 LYS 22 4.682 -5.586 4.848 119 HD3 LYS 22 HD1 LYS 22 3.643 -5.998 6.214 120 HE2 LYS 22 HE2 LYS 22 1.741 -4.940 4.997 121 HE3 LYS 22 HE1 LYS 22 2.808 -4.716 3.613 122 HZ1 LYS 22 HZ1 LYS 22 3.031 -7.059 3.363 123 HZ2 LYS 22 HZ2 LYS 22 1.371 -6.730 3.503 124 HZ3 LYS 22 HZ3 LYS 22 2.224 -7.362 4.824 125 H THR 23 HN THR 23 3.930 -1.016 2.896 126 HA THR 23 HA THR 23 1.025 -0.799 2.832 127 HB THR 23 HB THR 23 1.122 1.090 1.353 128 HG1 THR 23 HG1 THR 23 3.401 0.365 0.624 129 HG21 THR 23 HG21 THR 23 2.831 1.455 3.804 130 HG22 THR 23 HG22 THR 23 1.089 1.727 3.664 131 HG23 THR 23 HG23 THR 23 2.222 2.803 2.839 132 H ALA 24 HN ALA 24 0.310 -2.156 1.425 133 HA ALA 24 HA ALA 24 1.662 -2.849 -1.039 134 HB1 ALA 24 HB1 ALA 24 2.568 -4.758 -0.412 135 HB2 ALA 24 HB2 ALA 24 1.025 -5.268 0.255 136 HB3 ALA 24 HB3 ALA 24 2.145 -4.358 1.259 137 H ARG 25 HN ARG 25 0.343 -4.589 -2.247 138 HA ARG 25 HA ARG 25 -2.479 -4.317 -1.521 139 HB2 ARG 25 HB2 ARG 25 -1.561 -5.334 -4.131 140 HB3 ARG 25 HB1 ARG 25 -3.171 -4.862 -3.702 141 HG2 ARG 25 HG2 ARG 25 -2.484 -2.541 -3.628 142 HG3 ARG 25 HG1 ARG 25 -0.830 -3.007 -4.054 143 HD2 ARG 25 HD2 ARG 25 -1.475 -3.772 -6.176 144 HD3 ARG 25 HD1 ARG 25 -3.186 -3.807 -5.740 145 HE ARG 25 HE ARG 25 -2.723 -1.211 -5.559 146 HH11 ARG 25 HH11 ARG 25 -1.632 -3.481 -7.992 147 HH12 ARG 25 HH12 ARG 25 -1.544 -2.293 -9.259 148 HH21 ARG 25 HH21 ARG 25 -2.607 0.367 -7.214 149 HH22 ARG 25 HH22 ARG 25 -2.078 -0.096 -8.802 150 H ASP 26 HN ASP 26 -3.724 -5.954 -1.223 151 HA ASP 26 HA ASP 26 -2.733 -8.616 -0.871 152 HB2 ASP 26 HB2 ASP 26 -4.766 -7.567 0.280 153 HB3 ASP 26 HB1 ASP 26 -5.611 -7.727 -1.255 154 HA PRO 27 HA PRO 27 -2.307 -10.061 -4.944 155 HB2 PRO 27 HB2 PRO 27 -4.234 -12.230 -4.204 156 HB3 PRO 27 HB1 PRO 27 -2.670 -12.347 -5.022 157 HG2 PRO 27 HG2 PRO 27 -2.857 -12.927 -2.449 158 HG3 PRO 27 HG1 PRO 27 -1.472 -12.001 -3.060 159 HD2 PRO 27 HD2 PRO 27 -3.827 -11.077 -1.491 160 HD3 PRO 27 HD1 PRO 27 -2.155 -10.484 -1.476 161 H GLU 28 HN GLU 28 -5.528 -9.332 -3.888 162 HA GLU 28 HA GLU 28 -6.784 -9.844 -6.422 163 HB2 GLU 28 HB2 GLU 28 -8.687 -8.546 -5.329 164 HB3 GLU 28 HB1 GLU 28 -8.200 -10.042 -4.544 165 HG2 GLU 28 HG2 GLU 28 -7.073 -8.896 -2.831 166 HG3 GLU 28 HG1 GLU 28 -7.145 -7.366 -3.699 167 H GLY 29 HN GLY 29 -4.771 -7.366 -5.234 168 HA2 GLY 29 HA2 GLY 29 -3.998 -5.642 -6.676 169 HA3 GLY 29 HA1 GLY 29 -5.542 -5.698 -7.525 170 H LYS 30 HN LYS 30 -5.887 -5.855 -4.185 171 HA LYS 30 HA LYS 30 -6.671 -3.018 -4.119 172 HB2 LYS 30 HB2 LYS 30 -7.579 -5.275 -2.314 173 HB3 LYS 30 HB1 LYS 30 -8.147 -3.611 -2.254 174 HG2 LYS 30 HG2 LYS 30 -8.501 -5.479 -4.587 175 HG3 LYS 30 HG1 LYS 30 -9.726 -5.133 -3.366 176 HD2 LYS 30 HD2 LYS 30 -9.806 -2.817 -4.033 177 HD3 LYS 30 HD1 LYS 30 -8.455 -3.051 -5.146 178 HE2 LYS 30 HE2 LYS 30 -10.584 -3.019 -6.339 179 HE3 LYS 30 HE1 LYS 30 -9.800 -4.592 -6.469 180 HZ1 LYS 30 HZ1 LYS 30 -11.867 -5.270 -5.929 181 HZ2 LYS 30 HZ2 LYS 30 -12.265 -3.850 -5.101 182 HZ3 LYS 30 HZ3 LYS 30 -11.303 -5.027 -4.349 183 H ILE 31 HN ILE 31 -5.572 -1.700 -2.982 184 HA ILE 31 HA ILE 31 -3.244 -2.742 -1.643 185 HB ILE 31 HB ILE 31 -3.413 -0.768 -3.309 186 HG12 ILE 31 HG12 ILE 31 -1.458 -1.679 -1.837 187 HG13 ILE 31 HG11 ILE 31 -1.290 -0.149 -2.660 188 HG21 ILE 31 HG21 ILE 31 -5.048 0.557 -2.121 189 HG22 ILE 31 HG22 ILE 31 -3.527 1.439 -2.237 190 HG23 ILE 31 HG23 ILE 31 -3.981 0.660 -0.722 191 HD11 ILE 31 HD11 ILE 31 -0.432 -0.098 -0.388 192 HD12 ILE 31 HD12 ILE 31 -2.047 -0.483 0.203 193 HD13 ILE 31 HD13 ILE 31 -1.759 1.041 -0.628 194 H TYR 32 HN TYR 32 -2.555 -2.038 0.410 195 HA TYR 32 HA TYR 32 -4.524 -0.960 2.233 196 HB2 TYR 32 HB2 TYR 32 -4.393 -2.848 3.789 197 HB3 TYR 32 HB1 TYR 32 -5.024 -3.407 2.246 198 HD1 TYR 32 HD2 TYR 32 -2.029 -3.396 4.427 199 HD2 TYR 32 HD1 TYR 32 -3.878 -5.075 0.985 200 HE1 TYR 32 HE2 TYR 32 -0.300 -5.145 4.352 201 HE2 TYR 32 HE1 TYR 32 -2.161 -6.827 0.905 202 HH TYR 32 HH TYR 32 0.095 -7.322 3.484 203 H TYR 33 HN TYR 33 -3.423 -0.045 4.056 204 HA TYR 33 HA TYR 33 -0.578 -0.514 4.060 205 HB2 TYR 33 HB2 TYR 33 -1.183 2.189 4.818 206 HB3 TYR 33 HB1 TYR 33 -0.125 1.646 3.548 207 HD1 TYR 33 HD2 TYR 33 -3.694 2.329 4.283 208 HD2 TYR 33 HD1 TYR 33 -0.665 2.100 1.306 209 HE1 TYR 33 HE2 TYR 33 -5.249 3.273 2.636 210 HE2 TYR 33 HE1 TYR 33 -2.216 3.046 -0.350 211 HH TYR 33 HH TYR 33 -4.773 3.158 -0.631 212 H TYR 34 HN TYR 34 0.144 -0.690 6.180 213 HA TYR 34 HA TYR 34 -1.613 0.198 8.329 214 HB2 TYR 34 HB2 TYR 34 -0.833 -2.715 7.986 215 HB3 TYR 34 HB1 TYR 34 -1.533 -2.042 9.449 216 HD1 TYR 34 HD1 TYR 34 -3.884 -1.153 9.366 217 HD2 TYR 34 HD2 TYR 34 -2.191 -3.392 6.173 218 HE1 TYR 34 HE1 TYR 34 -6.137 -1.593 8.488 219 HE2 TYR 34 HE2 TYR 34 -4.442 -3.840 5.288 220 HH TYR 34 HH TYR 34 -6.741 -3.912 6.044 221 H HIS 35 HN HIS 35 -0.545 0.514 10.258 222 HA HIS 35 HA HIS 35 2.293 -0.165 10.306 223 HB2 HIS 35 HB2 HIS 35 0.804 2.096 11.618 224 HB3 HIS 35 HB1 HIS 35 2.392 1.592 12.182 225 HD1 HIS 35 HD1 HIS 35 3.731 3.596 11.494 226 HD2 HIS 35 HD2 HIS 35 1.461 2.052 8.370 227 HE1 HIS 35 HE1 HIS 35 4.469 4.841 9.436 228 HE2 HIS 35 HE2 HIS 35 2.918 4.051 7.610 229 H VAL 36 HN VAL 36 3.027 -1.498 11.777 230 HA VAL 36 HA VAL 36 1.408 -3.438 12.812 231 HB VAL 36 HB VAL 36 3.944 -2.795 14.249 232 HG11 VAL 36 HG11 VAL 36 2.711 -4.760 14.943 233 HG12 VAL 36 HG12 VAL 36 4.237 -5.223 14.187 234 HG13 VAL 36 HG13 VAL 36 2.724 -5.377 13.293 235 HG21 VAL 36 HG21 VAL 36 5.073 -2.615 12.352 236 HG22 VAL 36 HG22 VAL 36 3.669 -3.072 11.370 237 HG23 VAL 36 HG23 VAL 36 4.721 -4.322 12.081 238 H ILE 37 HN ILE 37 2.200 -0.449 14.276 239 HA ILE 37 HA ILE 37 2.198 -1.088 16.982 240 HB ILE 37 HB ILE 37 1.532 1.365 17.296 241 HG12 ILE 37 HG12 ILE 37 1.941 1.412 14.294 242 HG13 ILE 37 HG11 ILE 37 0.365 1.585 15.076 243 HG21 ILE 37 HG21 ILE 37 3.945 0.641 15.639 244 HG22 ILE 37 HG22 ILE 37 3.823 0.596 17.398 245 HG23 ILE 37 HG23 ILE 37 3.749 2.141 16.548 246 HD11 ILE 37 HD11 ILE 37 1.299 3.731 14.396 247 HD12 ILE 37 HD12 ILE 37 2.716 3.448 15.409 248 HD13 ILE 37 HD13 ILE 37 1.125 3.632 16.149 249 H THR 38 HN THR 38 -0.523 0.290 15.150 250 HA THR 38 HA THR 38 -2.317 -0.581 17.291 251 HB THR 38 HB THR 38 -3.806 1.321 16.261 252 HG1 THR 38 HG1 THR 38 -2.400 3.066 15.530 253 HG21 THR 38 HG21 THR 38 -2.970 1.319 18.561 254 HG22 THR 38 HG22 THR 38 -2.838 2.929 17.854 255 HG23 THR 38 HG23 THR 38 -1.405 1.914 18.005 256 H ARG 39 HN ARG 39 -1.267 -1.385 14.383 257 HA ARG 39 HA ARG 39 -2.031 -2.432 12.521 258 HB2 ARG 39 HB2 ARG 39 -4.613 -2.863 14.031 259 HB3 ARG 39 HB1 ARG 39 -3.953 -3.843 12.723 260 HG2 ARG 39 HG2 ARG 39 -2.289 -4.756 14.071 261 HG3 ARG 39 HG1 ARG 39 -2.442 -3.470 15.280 262 HD2 ARG 39 HD2 ARG 39 -4.716 -4.351 15.811 263 HD3 ARG 39 HD1 ARG 39 -4.416 -5.687 14.701 264 HE ARG 39 HE ARG 39 -2.350 -5.987 16.291 265 HH11 ARG 39 HH11 ARG 39 -5.650 -5.193 17.170 266 HH12 ARG 39 HH12 ARG 39 -5.547 -5.932 18.740 267 HH21 ARG 39 HH21 ARG 39 -2.215 -6.972 18.344 268 HH22 ARG 39 HH22 ARG 39 -3.604 -6.975 19.394 269 H GLN 40 HN GLN 40 -2.232 0.304 12.854 270 HA GLN 40 HA GLN 40 -4.757 1.310 12.042 271 HB2 GLN 40 HB2 GLN 40 -3.439 3.457 11.844 272 HB3 GLN 40 HB1 GLN 40 -3.557 2.742 13.438 273 HG2 GLN 40 HG2 GLN 40 -1.354 2.797 13.561 274 HG3 GLN 40 HG1 GLN 40 -1.326 1.629 12.236 275 HE21 GLN 40 HE21 GLN 40 -2.651 3.587 10.519 276 HE22 GLN 40 HE22 GLN 40 -1.389 4.619 9.963 277 H THR 41 HN THR 41 -5.168 2.548 10.352 278 HA THR 41 HA THR 41 -3.734 1.806 7.887 279 HB THR 41 HB THR 41 -6.497 2.894 7.824 280 HG1 THR 41 HG1 THR 41 -5.793 0.617 9.140 281 HG21 THR 41 HG21 THR 41 -4.828 0.968 6.249 282 HG22 THR 41 HG22 THR 41 -5.489 2.522 5.719 283 HG23 THR 41 HG23 THR 41 -6.563 1.137 5.960 284 H GLN 42 HN GLN 42 -3.277 3.486 6.388 285 HA GLN 42 HA GLN 42 -3.394 6.130 7.660 286 HB2 GLN 42 HB2 GLN 42 -1.379 5.206 5.605 287 HB3 GLN 42 HB1 GLN 42 -1.306 6.663 6.581 288 HG2 GLN 42 HG2 GLN 42 0.266 5.140 7.483 289 HG3 GLN 42 HG1 GLN 42 -1.101 5.193 8.594 290 HE21 GLN 42 HE21 GLN 42 -1.401 3.568 5.616 291 HE22 GLN 42 HE22 GLN 42 -1.462 1.947 6.240 292 H TRP 43 HN TRP 43 -3.255 7.967 6.165 293 HA TRP 43 HA TRP 43 -5.235 7.797 4.067 294 HB2 TRP 43 HB2 TRP 43 -3.693 9.935 5.445 295 HB3 TRP 43 HB1 TRP 43 -4.353 10.285 3.861 296 HD1 TRP 43 HD1 TRP 43 -5.404 9.555 7.464 297 HE1 TRP 43 HE1 TRP 43 -7.876 10.222 7.768 298 HE3 TRP 43 HE3 TRP 43 -6.573 10.576 2.591 299 HZ2 TRP 43 HZ2 TRP 43 -10.027 11.064 6.152 300 HZ3 TRP 43 HZ3 TRP 43 -8.860 11.301 2.056 301 HH2 TRP 43 HH2 TRP 43 -10.551 11.541 3.801 302 H ASP 44 HN ASP 44 -1.903 7.625 4.341 303 HA ASP 44 HA ASP 44 -0.637 8.506 2.160 304 HB2 ASP 44 HB2 ASP 44 0.295 6.997 3.950 305 HB3 ASP 44 HB1 ASP 44 -0.398 5.633 3.084 306 HA PRO 45 HA PRO 45 -2.866 7.273 -1.458 307 HB2 PRO 45 HB2 PRO 45 -0.186 7.425 -2.739 308 HB3 PRO 45 HB1 PRO 45 -1.691 8.241 -3.173 309 HG2 PRO 45 HG2 PRO 45 0.275 9.584 -1.988 310 HG3 PRO 45 HG1 PRO 45 -1.419 9.890 -1.560 311 HD2 PRO 45 HD2 PRO 45 0.660 8.333 -0.083 312 HD3 PRO 45 HD1 PRO 45 -0.592 9.422 0.549 313 HA PRO 46 HA PRO 46 -2.614 2.914 -2.085 314 HB2 PRO 46 HB2 PRO 46 -2.685 3.674 -4.964 315 HB3 PRO 46 HB1 PRO 46 -3.659 2.482 -4.094 316 HG2 PRO 46 HG2 PRO 46 -4.669 4.863 -4.748 317 HG3 PRO 46 HG1 PRO 46 -5.075 4.080 -3.211 318 HD2 PRO 46 HD2 PRO 46 -3.326 6.411 -3.742 319 HD3 PRO 46 HD1 PRO 46 -4.259 6.002 -2.290 320 H THR 47 HN THR 47 -0.844 1.671 -2.053 321 HA THR 47 HA THR 47 1.289 2.259 -3.936 322 HB THR 47 HB THR 47 2.805 1.646 -1.819 323 HG1 THR 47 HG1 THR 47 1.002 3.392 -0.579 324 HG21 THR 47 HG21 THR 47 2.532 3.679 -3.473 325 HG22 THR 47 HG22 THR 47 3.517 3.810 -2.009 326 HG23 THR 47 HG23 THR 47 1.874 4.458 -2.030 327 H TRP 48 HN TRP 48 1.406 0.696 -5.084 328 HA TRP 48 HA TRP 48 0.811 -2.032 -4.601 329 HB2 TRP 48 HB2 TRP 48 0.757 -0.828 -6.733 330 HB3 TRP 48 HB1 TRP 48 2.496 -0.676 -6.660 331 HD1 TRP 48 HD1 TRP 48 0.150 -3.767 -6.325 332 HE1 TRP 48 HE1 TRP 48 1.036 -5.610 -7.885 333 HE3 TRP 48 HE3 TRP 48 4.113 -1.263 -8.356 334 HZ2 TRP 48 HZ2 TRP 48 3.141 -5.950 -9.750 335 HZ3 TRP 48 HZ3 TRP 48 5.511 -2.414 -10.019 336 HH2 TRP 48 HH2 TRP 48 5.034 -4.707 -10.699 337 H GLU 49 HN GLU 49 3.118 -0.288 -3.391 338 HA GLU 49 HA GLU 49 5.552 -1.541 -4.031 339 HB2 GLU 49 HB2 GLU 49 4.944 0.224 -1.672 340 HB3 GLU 49 HB1 GLU 49 6.466 0.047 -2.531 341 HG2 GLU 49 HG2 GLU 49 4.004 1.104 -3.874 342 HG3 GLU 49 HG1 GLU 49 5.115 2.154 -2.981 343 H SER 50 HN SER 50 6.925 -1.876 -1.830 344 HA SER 50 HA SER 50 7.650 -3.678 -0.694 345 HB2 SER 50 HB2 SER 50 6.585 -3.965 1.438 346 HB3 SER 50 HB1 SER 50 6.531 -2.260 1.002 347 HG SER 50 HG SER 50 4.327 -2.848 0.161 348 HA PRO 51 HA PRO 51 4.933 -6.993 -2.643 349 HB2 PRO 51 HB2 PRO 51 6.578 -7.753 -4.571 350 HB3 PRO 51 HB1 PRO 51 5.512 -6.357 -4.815 351 HG2 PRO 51 HG2 PRO 51 8.361 -6.380 -3.865 352 HG3 PRO 51 HG1 PRO 51 7.700 -5.492 -5.255 353 HD2 PRO 51 HD2 PRO 51 8.055 -4.329 -2.916 354 HD3 PRO 51 HD1 PRO 51 6.590 -3.989 -3.859 355 H GLY 52 HN GLY 52 6.976 -6.722 -0.510 356 HA2 GLY 52 HA2 GLY 52 8.101 -8.305 0.822 357 HA3 GLY 52 HA1 GLY 52 8.262 -9.308 -0.611 358 H ASP 53 HN ASP 53 9.755 -8.727 -2.231 359 HA ASP 53 HA ASP 53 11.240 -6.310 -2.118 360 HB2 ASP 53 HB2 ASP 53 12.461 -7.709 -0.380 361 HB3 ASP 53 HB1 ASP 53 12.894 -8.811 -1.684 362 H ASP 54 HN ASP 54 10.056 -6.462 -4.107 363 HA ASP 54 HA ASP 54 11.403 -8.044 -6.167 364 HB2 ASP 54 HB2 ASP 54 9.162 -9.024 -5.239 365 HB3 ASP 54 HB1 ASP 54 8.435 -7.747 -6.203 366 H ALA 55 HN ALA 55 9.887 -7.256 -8.332 367 HA ALA 55 HA ALA 55 11.004 -4.621 -8.643 368 HB1 ALA 55 HB1 ALA 55 9.510 -6.318 -10.632 369 HB2 ALA 55 HB2 ALA 55 11.258 -6.313 -10.386 370 HB3 ALA 55 HB3 ALA 55 10.447 -4.867 -10.989 371 H SER 56 HN SER 56 9.367 -3.851 -6.942 372 HA SER 56 HA SER 56 6.912 -2.950 -8.249 373 HB2 SER 56 HB2 SER 56 7.810 -3.099 -5.396 374 HB3 SER 56 HB1 SER 56 6.696 -1.805 -5.845 375 HG SER 56 HG SER 56 5.180 -3.265 -5.817 Start of MODEL 7 1 H1 GLY 9 HT1 GLY 9 10.412 11.797 -7.286 2 H2 GLY 9 HT2 GLY 9 10.999 12.048 -5.716 3 H3 GLY 9 HT3 GLY 9 9.429 11.457 -5.948 4 HA2 GLY 9 HA1 GLY 9 11.946 10.042 -6.638 5 HA3 GLY 9 HA2 GLY 9 10.909 9.681 -5.264 6 H SER 10 HN SER 10 8.604 9.197 -5.828 7 HA SER 10 HA SER 10 6.985 8.069 -6.924 8 HB2 SER 10 HB2 SER 10 8.695 8.542 -9.367 9 HB3 SER 10 HB1 SER 10 7.071 7.849 -9.395 10 HG SER 10 HG SER 10 6.645 9.932 -8.062 11 H LYS 11 HN LYS 11 9.889 6.816 -6.233 12 HA LYS 11 HA LYS 11 9.214 4.222 -7.425 13 HB2 LYS 11 HB2 LYS 11 11.416 3.473 -6.498 14 HB3 LYS 11 HB1 LYS 11 11.550 4.774 -7.673 15 HG2 LYS 11 HG2 LYS 11 11.903 6.384 -5.927 16 HG3 LYS 11 HG1 LYS 11 11.595 5.168 -4.688 17 HD2 LYS 11 HD2 LYS 11 13.574 3.924 -5.425 18 HD3 LYS 11 HD1 LYS 11 13.884 5.153 -6.655 19 HE2 LYS 11 HE2 LYS 11 14.184 6.837 -4.938 20 HE3 LYS 11 HE1 LYS 11 13.786 5.663 -3.685 21 HZ1 LYS 11 HZ1 LYS 11 15.758 4.448 -4.160 22 HZ2 LYS 11 HZ2 LYS 11 16.201 6.077 -3.983 23 HZ3 LYS 11 HZ3 LYS 11 16.097 5.391 -5.526 24 HA PRO 12 HA PRO 12 7.512 3.142 -3.397 25 HB2 PRO 12 HB2 PRO 12 5.900 1.287 -4.314 26 HB3 PRO 12 HB1 PRO 12 5.557 3.000 -4.550 27 HG2 PRO 12 HG2 PRO 12 6.822 1.071 -6.415 28 HG3 PRO 12 HG1 PRO 12 5.482 2.176 -6.737 29 HD2 PRO 12 HD2 PRO 12 8.001 2.747 -7.416 30 HD3 PRO 12 HD1 PRO 12 6.842 3.989 -6.914 31 H LYS 13 HN LYS 13 7.862 1.368 -2.047 32 HA LYS 13 HA LYS 13 9.213 -0.890 -3.285 33 HB2 LYS 13 HB2 LYS 13 9.827 0.085 -0.515 34 HB3 LYS 13 HB1 LYS 13 10.683 -1.145 -1.419 35 HG2 LYS 13 HG2 LYS 13 11.743 0.399 -2.784 36 HG3 LYS 13 HG1 LYS 13 10.569 1.667 -2.425 37 HD2 LYS 13 HD2 LYS 13 12.666 2.151 -1.309 38 HD3 LYS 13 HD1 LYS 13 11.425 1.777 -0.116 39 HE2 LYS 13 HE2 LYS 13 13.528 0.712 0.474 40 HE3 LYS 13 HE1 LYS 13 12.301 -0.492 0.089 41 HZ1 LYS 13 HZ1 LYS 13 13.322 -1.029 -1.895 42 HZ2 LYS 13 HZ2 LYS 13 14.646 -0.779 -0.867 43 HZ3 LYS 13 HZ3 LYS 13 14.197 0.418 -1.975 44 H THR 14 HN THR 14 8.757 -2.901 -2.315 45 HA THR 14 HA THR 14 6.306 -2.940 -0.778 46 HB THR 14 HB THR 14 7.657 -5.066 -2.456 47 HG1 THR 14 HG1 THR 14 5.998 -3.084 -3.058 48 HG21 THR 14 HG21 THR 14 6.546 -5.964 -0.500 49 HG22 THR 14 HG22 THR 14 5.738 -6.456 -1.989 50 HG23 THR 14 HG23 THR 14 5.036 -5.189 -0.973 51 H ILE 15 HN ILE 15 7.583 -2.236 0.935 52 HA ILE 15 HA ILE 15 9.943 -3.612 1.765 53 HB ILE 15 HB ILE 15 8.475 -1.557 3.385 54 HG12 ILE 15 HG12 ILE 15 10.279 -0.885 1.040 55 HG13 ILE 15 HG11 ILE 15 8.527 -0.879 0.912 56 HG21 ILE 15 HG21 ILE 15 10.478 -2.535 4.343 57 HG22 ILE 15 HG22 ILE 15 10.769 -0.842 3.939 58 HG23 ILE 15 HG23 ILE 15 11.400 -2.121 2.899 59 HD11 ILE 15 HD11 ILE 15 10.189 0.842 2.750 60 HD12 ILE 15 HD12 ILE 15 8.429 0.852 2.649 61 HD13 ILE 15 HD13 ILE 15 9.395 1.359 1.262 62 H VAL 16 HN VAL 16 9.764 -5.533 2.839 63 HA VAL 16 HA VAL 16 7.318 -6.095 4.287 64 HB VAL 16 HB VAL 16 9.778 -7.829 4.092 65 HG11 VAL 16 HG11 VAL 16 6.918 -8.529 4.721 66 HG12 VAL 16 HG12 VAL 16 8.229 -8.418 5.897 67 HG13 VAL 16 HG13 VAL 16 8.276 -9.654 4.638 68 HG21 VAL 16 HG21 VAL 16 8.508 -9.023 2.309 69 HG22 VAL 16 HG22 VAL 16 9.084 -7.418 1.875 70 HG23 VAL 16 HG23 VAL 16 7.384 -7.661 2.283 71 H LEU 17 HN LEU 17 7.177 -5.013 6.108 72 HA LEU 17 HA LEU 17 9.352 -5.118 8.049 73 HB2 LEU 17 HB2 LEU 17 6.841 -3.482 7.899 74 HB3 LEU 17 HB1 LEU 17 7.902 -3.474 9.285 75 HG LEU 17 HG LEU 17 9.582 -2.946 7.176 76 HD11 LEU 17 HD11 LEU 17 6.924 -1.657 6.688 77 HD12 LEU 17 HD12 LEU 17 7.933 -2.569 5.558 78 HD13 LEU 17 HD13 LEU 17 8.435 -0.966 6.097 79 HD21 LEU 17 HD21 LEU 17 9.610 -1.919 9.399 80 HD22 LEU 17 HD22 LEU 17 8.190 -0.964 8.964 81 HD23 LEU 17 HD23 LEU 17 9.716 -0.714 8.115 82 HA PRO 18 HA PRO 18 7.439 -8.100 10.792 83 HB2 PRO 18 HB2 PRO 18 7.198 -6.434 13.056 84 HB3 PRO 18 HB1 PRO 18 8.534 -7.527 12.691 85 HG2 PRO 18 HG2 PRO 18 8.315 -4.589 12.248 86 HG3 PRO 18 HG1 PRO 18 9.737 -5.570 12.654 87 HD2 PRO 18 HD2 PRO 18 9.375 -4.622 10.177 88 HD3 PRO 18 HD1 PRO 18 10.059 -6.240 10.453 89 HA PRO 19 HA PRO 19 3.532 -7.696 9.069 90 HB2 PRO 19 HB2 PRO 19 2.618 -8.475 11.809 91 HB3 PRO 19 HB1 PRO 19 2.100 -9.087 10.234 92 HG2 PRO 19 HG2 PRO 19 4.058 -10.240 11.854 93 HG3 PRO 19 HG1 PRO 19 3.814 -10.568 10.130 94 HD2 PRO 19 HD2 PRO 19 6.072 -9.352 11.310 95 HD3 PRO 19 HD1 PRO 19 5.690 -9.412 9.575 96 H ASN 20 HN ASN 20 4.332 -5.163 9.702 97 HA ASN 20 HA ASN 20 1.974 -3.873 9.254 98 HB2 ASN 20 HB2 ASN 20 2.522 -4.005 12.077 99 HB3 ASN 20 HB1 ASN 20 2.466 -2.385 11.496 100 HD21 ASN 20 HD21 ASN 20 0.624 -1.586 10.715 101 HD22 ASN 20 HD22 ASN 20 -0.877 -2.343 10.982 102 H TRP 21 HN TRP 21 2.412 -1.362 9.752 103 HA TRP 21 HA TRP 21 3.621 0.496 9.117 104 HB2 TRP 21 HB2 TRP 21 5.337 -0.669 10.600 105 HB3 TRP 21 HB1 TRP 21 6.005 -1.296 9.101 106 HD1 TRP 21 HD1 TRP 21 6.863 0.810 7.329 107 HE1 TRP 21 HE1 TRP 21 8.107 2.977 7.969 108 HE3 TRP 21 HE3 TRP 21 5.732 0.949 12.310 109 HZ2 TRP 21 HZ2 TRP 21 8.564 4.517 10.287 110 HZ3 TRP 21 HZ3 TRP 21 6.617 2.796 13.669 111 HH2 TRP 21 HH2 TRP 21 8.002 4.541 12.677 112 H LYS 22 HN LYS 22 3.178 -2.159 7.412 113 HA LYS 22 HA LYS 22 4.970 -1.653 5.174 114 HB2 LYS 22 HB2 LYS 22 3.860 -4.053 4.637 115 HB3 LYS 22 HB1 LYS 22 5.315 -3.835 5.604 116 HG2 LYS 22 HG2 LYS 22 4.160 -4.018 7.593 117 HG3 LYS 22 HG1 LYS 22 2.599 -3.750 6.819 118 HD2 LYS 22 HD2 LYS 22 4.287 -6.168 6.204 119 HD3 LYS 22 HD1 LYS 22 3.186 -6.140 7.579 120 HE2 LYS 22 HE2 LYS 22 1.916 -7.121 5.901 121 HE3 LYS 22 HE1 LYS 22 1.400 -5.438 5.864 122 HZ1 LYS 22 HZ1 LYS 22 2.896 -5.073 3.989 123 HZ2 LYS 22 HZ2 LYS 22 1.767 -6.288 3.643 124 HZ3 LYS 22 HZ3 LYS 22 3.366 -6.699 4.027 125 H THR 23 HN THR 23 4.138 -2.420 3.045 126 HA THR 23 HA THR 23 1.388 -1.681 2.459 127 HB THR 23 HB THR 23 2.069 -0.258 0.648 128 HG1 THR 23 HG1 THR 23 4.007 -1.099 -0.043 129 HG21 THR 23 HG21 THR 23 3.404 0.325 3.273 130 HG22 THR 23 HG22 THR 23 1.857 0.939 2.678 131 HG23 THR 23 HG23 THR 23 3.367 1.503 1.956 132 H ALA 24 HN ALA 24 0.557 -3.113 1.214 133 HA ALA 24 HA ALA 24 1.972 -4.351 -0.986 134 HB1 ALA 24 HB1 ALA 24 2.231 -6.385 -0.164 135 HB2 ALA 24 HB2 ALA 24 0.569 -6.389 0.400 136 HB3 ALA 24 HB3 ALA 24 1.831 -5.718 1.424 137 H ARG 25 HN ARG 25 0.423 -5.711 -2.315 138 HA ARG 25 HA ARG 25 -2.354 -4.865 -1.862 139 HB2 ARG 25 HB2 ARG 25 -1.359 -6.133 -4.329 140 HB3 ARG 25 HB1 ARG 25 -2.914 -5.415 -4.101 141 HG2 ARG 25 HG2 ARG 25 -1.978 -3.226 -4.134 142 HG3 ARG 25 HG1 ARG 25 -0.329 -3.876 -4.151 143 HD2 ARG 25 HD2 ARG 25 -0.506 -4.648 -6.305 144 HD3 ARG 25 HD1 ARG 25 -2.263 -4.764 -6.231 145 HE ARG 25 HE ARG 25 -1.730 -2.080 -6.098 146 HH11 ARG 25 HH11 ARG 25 -0.867 -4.668 -8.285 147 HH12 ARG 25 HH12 ARG 25 -0.935 -3.669 -9.708 148 HH21 ARG 25 HH21 ARG 25 -1.829 -0.751 -7.957 149 HH22 ARG 25 HH22 ARG 25 -1.482 -1.432 -9.514 150 H ASP 26 HN ASP 26 -3.893 -6.307 -1.648 151 HA ASP 26 HA ASP 26 -3.261 -9.082 -1.206 152 HB2 ASP 26 HB2 ASP 26 -5.579 -7.322 -0.811 153 HB3 ASP 26 HB1 ASP 26 -6.024 -8.915 -1.422 154 HA PRO 27 HA PRO 27 -3.396 -10.975 -5.043 155 HB2 PRO 27 HB2 PRO 27 -6.002 -12.293 -4.419 156 HB3 PRO 27 HB1 PRO 27 -4.494 -12.999 -5.012 157 HG2 PRO 27 HG2 PRO 27 -5.157 -13.247 -2.460 158 HG3 PRO 27 HG1 PRO 27 -3.478 -12.916 -2.925 159 HD2 PRO 27 HD2 PRO 27 -5.516 -11.086 -1.751 160 HD3 PRO 27 HD1 PRO 27 -3.760 -11.134 -1.502 161 H GLU 28 HN GLU 28 -6.179 -9.108 -4.296 162 HA GLU 28 HA GLU 28 -7.464 -9.431 -6.851 163 HB2 GLU 28 HB2 GLU 28 -9.066 -7.805 -5.999 164 HB3 GLU 28 HB1 GLU 28 -8.768 -9.063 -4.809 165 HG2 GLU 28 HG2 GLU 28 -7.125 -7.476 -3.725 166 HG3 GLU 28 HG1 GLU 28 -7.768 -6.234 -4.798 167 H GLY 29 HN GLY 29 -4.856 -7.589 -5.732 168 HA2 GLY 29 HA2 GLY 29 -3.548 -6.208 -7.113 169 HA3 GLY 29 HA1 GLY 29 -4.941 -5.976 -8.167 170 H LYS 30 HN LYS 30 -5.726 -5.661 -4.917 171 HA LYS 30 HA LYS 30 -5.704 -2.720 -5.151 172 HB2 LYS 30 HB2 LYS 30 -7.441 -4.624 -3.592 173 HB3 LYS 30 HB1 LYS 30 -7.268 -2.958 -3.070 174 HG2 LYS 30 HG2 LYS 30 -9.272 -3.153 -4.353 175 HG3 LYS 30 HG1 LYS 30 -8.102 -2.228 -5.290 176 HD2 LYS 30 HD2 LYS 30 -7.680 -4.041 -6.738 177 HD3 LYS 30 HD1 LYS 30 -8.476 -5.187 -5.657 178 HE2 LYS 30 HE2 LYS 30 -9.878 -4.694 -7.581 179 HE3 LYS 30 HE1 LYS 30 -10.624 -4.108 -6.098 180 HZ1 LYS 30 HZ1 LYS 30 -10.807 -2.499 -7.893 181 HZ2 LYS 30 HZ2 LYS 30 -9.120 -2.436 -8.042 182 HZ3 LYS 30 HZ3 LYS 30 -9.867 -1.877 -6.624 183 H ILE 31 HN ILE 31 -4.636 -1.525 -3.797 184 HA ILE 31 HA ILE 31 -2.569 -2.851 -2.288 185 HB ILE 31 HB ILE 31 -2.323 -0.814 -3.780 186 HG12 ILE 31 HG12 ILE 31 -0.696 -1.714 -1.936 187 HG13 ILE 31 HG11 ILE 31 -0.387 -0.171 -2.691 188 HG21 ILE 31 HG21 ILE 31 -3.430 0.591 -1.373 189 HG22 ILE 31 HG22 ILE 31 -4.173 0.491 -2.969 190 HG23 ILE 31 HG23 ILE 31 -2.663 1.378 -2.753 191 HD11 ILE 31 HD11 ILE 31 -0.016 -0.060 -0.313 192 HD12 ILE 31 HD12 ILE 31 -1.670 -0.595 -0.034 193 HD13 ILE 31 HD13 ILE 31 -1.370 0.972 -0.779 194 H TYR 32 HN TYR 32 -2.098 -2.409 -0.118 195 HA TYR 32 HA TYR 32 -4.258 -1.430 1.557 196 HB2 TYR 32 HB2 TYR 32 -3.228 -4.279 1.645 197 HB3 TYR 32 HB1 TYR 32 -4.024 -3.518 3.017 198 HD1 TYR 32 HD1 TYR 32 -4.496 -4.811 -0.398 199 HD2 TYR 32 HD2 TYR 32 -6.413 -3.180 3.030 200 HE1 TYR 32 HE1 TYR 32 -6.679 -5.487 -1.303 201 HE2 TYR 32 HE2 TYR 32 -8.601 -3.855 2.133 202 HH TYR 32 HH TYR 32 -8.868 -5.807 -0.790 203 H TYR 33 HN TYR 33 -3.456 -0.832 3.599 204 HA TYR 33 HA TYR 33 -0.572 -0.861 3.709 205 HB2 TYR 33 HB2 TYR 33 -1.093 1.287 2.925 206 HB3 TYR 33 HB1 TYR 33 -2.422 1.491 4.043 207 HD1 TYR 33 HD1 TYR 33 1.270 0.912 4.076 208 HD2 TYR 33 HD2 TYR 33 -2.032 2.924 5.840 209 HE1 TYR 33 HE1 TYR 33 2.811 2.130 5.546 210 HE2 TYR 33 HE2 TYR 33 -0.498 4.148 7.324 211 HH TYR 33 HH TYR 33 2.984 3.962 6.916 212 H TYR 34 HN TYR 34 0.253 -0.591 5.736 213 HA TYR 34 HA TYR 34 -1.497 -1.164 8.025 214 HB2 TYR 34 HB2 TYR 34 1.053 -2.686 7.356 215 HB3 TYR 34 HB1 TYR 34 0.094 -2.893 8.812 216 HD1 TYR 34 HD2 TYR 34 -0.154 -3.207 5.094 217 HD2 TYR 34 HD1 TYR 34 -1.499 -4.572 8.893 218 HE1 TYR 34 HE2 TYR 34 -1.422 -5.004 3.993 219 HE2 TYR 34 HE1 TYR 34 -2.767 -6.372 7.803 220 HH TYR 34 HH TYR 34 -2.421 -7.123 4.451 221 H HIS 35 HN HIS 35 -0.810 0.018 9.860 222 HA HIS 35 HA HIS 35 2.026 0.846 9.714 223 HB2 HIS 35 HB2 HIS 35 0.214 2.672 9.256 224 HB3 HIS 35 HB1 HIS 35 -0.020 2.632 10.997 225 HD1 HIS 35 HD1 HIS 35 0.739 5.200 10.688 226 HD2 HIS 35 HD2 HIS 35 3.693 2.326 10.121 227 HE1 HIS 35 HE1 HIS 35 2.927 6.421 10.899 228 HE2 HIS 35 HE2 HIS 35 4.677 4.717 10.303 229 H VAL 36 HN VAL 36 3.155 0.172 11.320 230 HA VAL 36 HA VAL 36 2.326 -1.536 13.283 231 HB VAL 36 HB VAL 36 4.800 0.138 13.011 232 HG11 VAL 36 HG11 VAL 36 4.303 -1.887 15.197 233 HG12 VAL 36 HG12 VAL 36 4.483 -0.148 15.427 234 HG13 VAL 36 HG13 VAL 36 5.842 -1.105 14.837 235 HG21 VAL 36 HG21 VAL 36 5.780 -1.781 12.202 236 HG22 VAL 36 HG22 VAL 36 4.111 -2.010 11.623 237 HG23 VAL 36 HG23 VAL 36 4.685 -2.842 13.083 238 H ILE 37 HN ILE 37 1.998 1.877 13.426 239 HA ILE 37 HA ILE 37 2.457 2.513 16.077 240 HB ILE 37 HB ILE 37 0.647 4.270 15.743 241 HG12 ILE 37 HG12 ILE 37 0.712 3.270 12.887 242 HG13 ILE 37 HG11 ILE 37 -0.619 2.932 13.997 243 HG21 ILE 37 HG21 ILE 37 2.050 5.572 14.218 244 HG22 ILE 37 HG22 ILE 37 2.906 4.101 13.756 245 HG23 ILE 37 HG23 ILE 37 3.014 4.703 15.410 246 HD11 ILE 37 HD11 ILE 37 -1.145 4.790 12.530 247 HD12 ILE 37 HD12 ILE 37 0.286 5.659 13.088 248 HD13 ILE 37 HD13 ILE 37 -1.035 5.329 14.206 249 H THR 38 HN THR 38 -0.630 1.522 14.668 250 HA THR 38 HA THR 38 -1.650 0.906 17.346 251 HB THR 38 HB THR 38 -3.389 1.192 14.899 252 HG1 THR 38 HG1 THR 38 -2.477 3.297 16.609 253 HG21 THR 38 HG21 THR 38 -4.372 0.223 16.920 254 HG22 THR 38 HG22 THR 38 -5.091 1.791 16.553 255 HG23 THR 38 HG23 THR 38 -3.894 1.652 17.839 256 H ARG 39 HN ARG 39 -0.066 -0.349 14.932 257 HA ARG 39 HA ARG 39 0.071 -2.238 13.691 258 HB2 ARG 39 HB2 ARG 39 -1.744 -3.414 15.811 259 HB3 ARG 39 HB1 ARG 39 -0.628 -4.291 14.763 260 HG2 ARG 39 HG2 ARG 39 1.254 -3.468 15.872 261 HG3 ARG 39 HG1 ARG 39 0.339 -2.137 16.605 262 HD2 ARG 39 HD2 ARG 39 -0.062 -5.066 17.254 263 HD3 ARG 39 HD1 ARG 39 0.968 -3.980 18.184 264 HE ARG 39 HE ARG 39 -1.630 -2.887 17.943 265 HH11 ARG 39 HH11 ARG 39 0.136 -5.419 19.598 266 HH12 ARG 39 HH12 ARG 39 -0.936 -5.438 20.979 267 HH21 ARG 39 HH21 ARG 39 -3.044 -2.913 19.754 268 HH22 ARG 39 HH22 ARG 39 -2.739 -4.023 21.060 269 H GLN 40 HN GLN 40 -1.626 -0.361 12.857 270 HA GLN 40 HA GLN 40 -4.242 -1.499 12.485 271 HB2 GLN 40 HB2 GLN 40 -4.835 0.791 11.694 272 HB3 GLN 40 HB1 GLN 40 -4.408 0.644 13.388 273 HG2 GLN 40 HG2 GLN 40 -3.144 2.436 12.936 274 HG3 GLN 40 HG1 GLN 40 -2.065 1.192 12.337 275 HE21 GLN 40 HE21 GLN 40 -4.820 1.562 10.565 276 HE22 GLN 40 HE22 GLN 40 -4.161 2.430 9.221 277 H THR 41 HN THR 41 -5.373 -1.340 10.696 278 HA THR 41 HA THR 41 -3.857 -1.232 8.182 279 HB THR 41 HB THR 41 -6.033 -3.261 8.546 280 HG1 THR 41 HG1 THR 41 -3.974 -3.307 10.088 281 HG21 THR 41 HG21 THR 41 -3.779 -2.643 6.734 282 HG22 THR 41 HG22 THR 41 -5.435 -3.143 6.340 283 HG23 THR 41 HG23 THR 41 -4.260 -4.338 6.904 284 H GLN 42 HN GLN 42 -5.292 -0.948 6.287 285 HA GLN 42 HA GLN 42 -7.895 0.237 6.855 286 HB2 GLN 42 HB2 GLN 42 -5.938 1.634 5.029 287 HB3 GLN 42 HB1 GLN 42 -7.447 2.254 5.681 288 HG2 GLN 42 HG2 GLN 42 -6.011 3.385 7.010 289 HG3 GLN 42 HG1 GLN 42 -6.151 1.913 7.970 290 HE21 GLN 42 HE21 GLN 42 -4.594 0.506 5.815 291 HE22 GLN 42 HE22 GLN 42 -2.939 0.857 6.177 292 H TRP 43 HN TRP 43 -9.129 0.465 4.855 293 HA TRP 43 HA TRP 43 -8.780 -1.956 3.304 294 HB2 TRP 43 HB2 TRP 43 -10.928 -0.217 4.095 295 HB3 TRP 43 HB1 TRP 43 -10.993 -0.527 2.367 296 HD1 TRP 43 HD1 TRP 43 -11.035 -2.434 5.719 297 HE1 TRP 43 HE1 TRP 43 -12.227 -4.685 5.358 298 HE3 TRP 43 HE3 TRP 43 -11.690 -2.195 0.651 299 HZ2 TRP 43 HZ2 TRP 43 -13.309 -6.162 3.201 300 HZ3 TRP 43 HZ3 TRP 43 -12.812 -4.068 -0.480 301 HH2 TRP 43 HH2 TRP 43 -13.602 -6.009 0.771 302 H ASP 44 HN ASP 44 -8.115 1.350 2.895 303 HA ASP 44 HA ASP 44 -8.017 0.986 -0.016 304 HB2 ASP 44 HB2 ASP 44 -9.965 2.294 0.589 305 HB3 ASP 44 HB1 ASP 44 -8.949 3.455 1.429 306 HA PRO 45 HA PRO 45 -5.297 5.115 1.296 307 HB2 PRO 45 HB2 PRO 45 -3.997 3.323 3.326 308 HB3 PRO 45 HB1 PRO 45 -4.031 5.091 3.258 309 HG2 PRO 45 HG2 PRO 45 -5.766 3.674 4.764 310 HG3 PRO 45 HG1 PRO 45 -6.190 5.218 4.008 311 HD2 PRO 45 HD2 PRO 45 -7.216 2.563 3.418 312 HD3 PRO 45 HD1 PRO 45 -7.769 4.130 2.797 313 HA PRO 46 HA PRO 46 -2.706 2.609 -1.506 314 HB2 PRO 46 HB2 PRO 46 -2.826 4.906 -3.268 315 HB3 PRO 46 HB1 PRO 46 -3.471 3.285 -3.528 316 HG2 PRO 46 HG2 PRO 46 -5.040 5.485 -3.170 317 HG3 PRO 46 HG1 PRO 46 -5.543 3.843 -2.736 318 HD2 PRO 46 HD2 PRO 46 -4.506 6.031 -0.981 319 HD3 PRO 46 HD1 PRO 46 -5.808 4.863 -0.676 320 H THR 47 HN THR 47 -0.623 2.627 -0.863 321 HA THR 47 HA THR 47 0.730 5.200 -0.609 322 HB THR 47 HB THR 47 2.261 4.181 0.800 323 HG1 THR 47 HG1 THR 47 3.171 2.367 0.180 324 HG21 THR 47 HG21 THR 47 -0.304 2.761 0.905 325 HG22 THR 47 HG22 THR 47 0.301 3.994 2.007 326 HG23 THR 47 HG23 THR 47 0.960 2.354 2.058 327 H TRP 48 HN TRP 48 0.038 3.109 -2.725 328 HA TRP 48 HA TRP 48 0.555 2.697 -4.886 329 HB2 TRP 48 HB2 TRP 48 0.922 5.074 -4.781 330 HB3 TRP 48 HB1 TRP 48 2.551 4.791 -4.262 331 HD1 TRP 48 HD1 TRP 48 4.331 4.824 -6.163 332 HE1 TRP 48 HE1 TRP 48 4.248 4.693 -8.742 333 HE3 TRP 48 HE3 TRP 48 -0.654 3.882 -6.768 334 HZ2 TRP 48 HZ2 TRP 48 2.322 4.249 -10.746 335 HZ3 TRP 48 HZ3 TRP 48 -1.535 3.616 -9.046 336 HH2 TRP 48 HH2 TRP 48 -0.076 3.796 -10.995 337 H GLU 49 HN GLU 49 2.641 2.194 -2.393 338 HA GLU 49 HA GLU 49 4.916 1.217 -3.785 339 HB2 GLU 49 HB2 GLU 49 4.046 1.088 -0.909 340 HB3 GLU 49 HB1 GLU 49 5.577 0.461 -1.487 341 HG2 GLU 49 HG2 GLU 49 6.360 2.581 -2.091 342 HG3 GLU 49 HG1 GLU 49 4.753 3.293 -1.969 343 H SER 50 HN SER 50 4.352 -0.426 -5.178 344 HA SER 50 HA SER 50 3.958 -2.982 -3.899 345 HB2 SER 50 HB2 SER 50 1.685 -2.011 -4.158 346 HB3 SER 50 HB1 SER 50 1.931 -2.007 -5.901 347 HG SER 50 HG SER 50 1.993 -4.297 -4.213 348 HA PRO 51 HA PRO 51 5.603 -3.561 -8.336 349 HB2 PRO 51 HB2 PRO 51 7.767 -2.245 -8.921 350 HB3 PRO 51 HB1 PRO 51 6.212 -1.396 -9.018 351 HG2 PRO 51 HG2 PRO 51 8.185 -1.455 -6.763 352 HG3 PRO 51 HG1 PRO 51 7.494 -0.027 -7.561 353 HD2 PRO 51 HD2 PRO 51 6.535 -1.044 -5.263 354 HD3 PRO 51 HD1 PRO 51 5.477 -0.255 -6.471 355 H GLY 52 HN GLY 52 6.347 -4.243 -5.492 356 HA2 GLY 52 HA2 GLY 52 7.640 -5.929 -4.581 357 HA3 GLY 52 HA1 GLY 52 8.580 -5.942 -6.062 358 H ASP 53 HN ASP 53 9.871 -3.879 -6.419 359 HA ASP 53 HA ASP 53 10.579 -2.196 -4.263 360 HB2 ASP 53 HB2 ASP 53 11.657 -4.412 -3.557 361 HB3 ASP 53 HB1 ASP 53 12.729 -4.219 -4.941 362 H ASP 54 HN ASP 54 10.008 -0.995 -6.279 363 HA ASP 54 HA ASP 54 12.244 -0.506 -8.030 364 HB2 ASP 54 HB2 ASP 54 10.822 -2.671 -8.692 365 HB3 ASP 54 HB1 ASP 54 9.808 -1.442 -9.422 366 H ALA 55 HN ALA 55 10.794 0.561 -10.170 367 HA ALA 55 HA ALA 55 9.387 2.801 -8.924 368 HB1 ALA 55 HB1 ALA 55 10.246 2.356 -11.785 369 HB2 ALA 55 HB2 ALA 55 11.082 3.347 -10.590 370 HB3 ALA 55 HB3 ALA 55 9.483 3.819 -11.165 371 H SER 56 HN SER 56 7.219 3.249 -9.357 372 HA SER 56 HA SER 56 5.764 1.144 -10.812 373 HB2 SER 56 HB2 SER 56 5.406 0.947 -8.328 374 HB3 SER 56 HB1 SER 56 4.806 2.614 -8.330 375 HG SER 56 HG SER 56 2.962 1.951 -9.118 Start of MODEL 8 1 H1 GLY 9 HT1 GLY 9 11.931 2.766 -13.904 2 H2 GLY 9 HT2 GLY 9 10.750 2.866 -12.691 3 H3 GLY 9 HT3 GLY 9 12.376 2.611 -12.273 4 HA2 GLY 9 HA1 GLY 9 12.972 4.788 -13.075 5 HA3 GLY 9 HA2 GLY 9 11.305 5.052 -13.572 6 H SER 10 HN SER 10 9.927 5.920 -12.150 7 HA SER 10 HA SER 10 11.015 6.851 -9.659 8 HB2 SER 10 HB2 SER 10 8.195 7.213 -10.668 9 HB3 SER 10 HB1 SER 10 9.076 8.240 -9.534 10 HG SER 10 HG SER 10 9.960 9.248 -11.157 11 H LYS 11 HN LYS 11 9.254 4.128 -10.607 12 HA LYS 11 HA LYS 11 7.872 3.719 -8.122 13 HB2 LYS 11 HB2 LYS 11 8.440 1.884 -10.454 14 HB3 LYS 11 HB1 LYS 11 7.512 1.397 -9.044 15 HG2 LYS 11 HG2 LYS 11 6.777 3.708 -10.827 16 HG3 LYS 11 HG1 LYS 11 6.133 2.072 -10.998 17 HD2 LYS 11 HD2 LYS 11 5.205 2.197 -8.743 18 HD3 LYS 11 HD1 LYS 11 5.872 3.818 -8.549 19 HE2 LYS 11 HE2 LYS 11 3.854 3.022 -10.644 20 HE3 LYS 11 HE1 LYS 11 3.459 3.809 -9.119 21 HZ1 LYS 11 HZ1 LYS 11 4.776 5.710 -9.778 22 HZ2 LYS 11 HZ2 LYS 11 3.605 5.389 -10.960 23 HZ3 LYS 11 HZ3 LYS 11 5.217 4.950 -11.224 24 HA PRO 12 HA PRO 12 11.444 2.179 -5.971 25 HB2 PRO 12 HB2 PRO 12 10.345 1.865 -3.608 26 HB3 PRO 12 HB1 PRO 12 10.639 3.485 -4.277 27 HG2 PRO 12 HG2 PRO 12 8.202 1.794 -4.514 28 HG3 PRO 12 HG1 PRO 12 8.307 3.409 -3.820 29 HD2 PRO 12 HD2 PRO 12 7.531 3.123 -6.310 30 HD3 PRO 12 HD1 PRO 12 8.727 4.383 -5.932 31 H LYS 13 HN LYS 13 12.113 0.308 -4.801 32 HA LYS 13 HA LYS 13 10.988 -2.098 -5.817 33 HB2 LYS 13 HB2 LYS 13 12.742 -3.141 -4.260 34 HB3 LYS 13 HB1 LYS 13 13.323 -2.141 -5.582 35 HG2 LYS 13 HG2 LYS 13 13.495 -0.245 -4.001 36 HG3 LYS 13 HG1 LYS 13 13.074 -1.347 -2.696 37 HD2 LYS 13 HD2 LYS 13 15.062 -2.617 -3.030 38 HD3 LYS 13 HD1 LYS 13 15.426 -1.759 -4.531 39 HE2 LYS 13 HE2 LYS 13 15.737 0.312 -3.290 40 HE3 LYS 13 HE1 LYS 13 15.323 -0.510 -1.786 41 HZ1 LYS 13 HZ1 LYS 13 17.618 -1.298 -3.487 42 HZ2 LYS 13 HZ2 LYS 13 17.278 -1.803 -1.907 43 HZ3 LYS 13 HZ3 LYS 13 17.744 -0.201 -2.203 44 H THR 14 HN THR 14 10.545 -3.914 -4.265 45 HA THR 14 HA THR 14 8.395 -2.979 -2.564 46 HB THR 14 HB THR 14 8.291 -5.733 -2.481 47 HG1 THR 14 HG1 THR 14 9.075 -4.965 -5.120 48 HG21 THR 14 HG21 THR 14 7.038 -3.906 -4.534 49 HG22 THR 14 HG22 THR 14 6.420 -4.209 -2.910 50 HG23 THR 14 HG23 THR 14 6.463 -5.515 -4.092 51 H ILE 15 HN ILE 15 9.846 -2.154 -1.063 52 HA ILE 15 HA ILE 15 11.761 -3.745 0.297 53 HB ILE 15 HB ILE 15 10.679 -1.038 1.056 54 HG12 ILE 15 HG12 ILE 15 12.908 -1.596 -0.899 55 HG13 ILE 15 HG11 ILE 15 11.258 -1.324 -1.447 56 HG21 ILE 15 HG21 ILE 15 12.199 -2.066 2.667 57 HG22 ILE 15 HG22 ILE 15 12.962 -0.681 1.883 58 HG23 ILE 15 HG23 ILE 15 13.391 -2.321 1.392 59 HD11 ILE 15 HD11 ILE 15 11.331 0.909 -0.408 60 HD12 ILE 15 HD12 ILE 15 12.602 0.697 -1.612 61 HD13 ILE 15 HD13 ILE 15 12.992 0.618 0.106 62 H VAL 16 HN VAL 16 11.531 -4.839 2.161 63 HA VAL 16 HA VAL 16 8.789 -5.154 3.094 64 HB VAL 16 HB VAL 16 11.220 -6.836 3.685 65 HG11 VAL 16 HG11 VAL 16 8.290 -7.359 4.156 66 HG12 VAL 16 HG12 VAL 16 9.523 -7.086 5.387 67 HG13 VAL 16 HG13 VAL 16 9.585 -8.534 4.384 68 HG21 VAL 16 HG21 VAL 16 10.130 -8.435 2.086 69 HG22 VAL 16 HG22 VAL 16 10.837 -6.986 1.378 70 HG23 VAL 16 HG23 VAL 16 9.091 -7.096 1.591 71 H LEU 17 HN LEU 17 8.243 -3.802 4.690 72 HA LEU 17 HA LEU 17 9.994 -3.263 6.912 73 HB2 LEU 17 HB2 LEU 17 7.080 -2.694 6.432 74 HB3 LEU 17 HB1 LEU 17 7.951 -2.148 7.835 75 HG LEU 17 HG LEU 17 9.475 -0.994 6.149 76 HD11 LEU 17 HD11 LEU 17 8.386 -0.324 4.055 77 HD12 LEU 17 HD12 LEU 17 7.079 -1.454 4.405 78 HD13 LEU 17 HD13 LEU 17 8.713 -2.056 4.128 79 HD21 LEU 17 HD21 LEU 17 8.234 0.980 6.316 80 HD22 LEU 17 HD22 LEU 17 7.720 0.012 7.706 81 HD23 LEU 17 HD23 LEU 17 6.705 0.108 6.266 82 HA PRO 18 HA PRO 18 9.064 -6.772 9.470 83 HB2 PRO 18 HB2 PRO 18 8.635 -5.488 11.895 84 HB3 PRO 18 HB1 PRO 18 10.217 -5.945 11.257 85 HG2 PRO 18 HG2 PRO 18 8.824 -3.301 11.161 86 HG3 PRO 18 HG1 PRO 18 10.539 -3.657 11.444 87 HD2 PRO 18 HD2 PRO 18 9.691 -2.768 9.072 88 HD3 PRO 18 HD1 PRO 18 10.964 -4.001 9.183 89 HA PRO 19 HA PRO 19 4.953 -7.356 8.175 90 HB2 PRO 19 HB2 PRO 19 4.751 -8.610 10.893 91 HB3 PRO 19 HB1 PRO 19 4.149 -9.203 9.341 92 HG2 PRO 19 HG2 PRO 19 6.569 -9.927 10.478 93 HG3 PRO 19 HG1 PRO 19 6.174 -10.064 8.758 94 HD2 PRO 19 HD2 PRO 19 8.146 -8.393 9.940 95 HD3 PRO 19 HD1 PRO 19 7.620 -8.393 8.245 96 H ASN 20 HN ASN 20 5.096 -4.817 8.971 97 HA ASN 20 HA ASN 20 2.557 -3.967 9.112 98 HB2 ASN 20 HB2 ASN 20 3.295 -4.812 11.709 99 HB3 ASN 20 HB1 ASN 20 3.190 -3.087 11.734 100 HD21 ASN 20 HD21 ASN 20 1.318 -2.129 11.404 101 HD22 ASN 20 HD22 ASN 20 -0.155 -2.969 11.456 102 H TRP 21 HN TRP 21 2.563 -1.504 9.774 103 HA TRP 21 HA TRP 21 3.517 0.600 9.451 104 HB2 TRP 21 HB2 TRP 21 5.388 -0.269 10.841 105 HB3 TRP 21 HB1 TRP 21 6.078 -0.959 9.385 106 HD1 TRP 21 HD1 TRP 21 8.329 0.421 9.824 107 HE1 TRP 21 HE1 TRP 21 8.976 2.873 9.407 108 HE3 TRP 21 HE3 TRP 21 3.644 2.418 9.260 109 HZ2 TRP 21 HZ2 TRP 21 7.677 5.323 8.910 110 HZ3 TRP 21 HZ3 TRP 21 3.444 4.826 8.822 111 HH2 TRP 21 HH2 TRP 21 5.418 6.248 8.653 112 H LYS 22 HN LYS 22 3.340 -1.846 7.511 113 HA LYS 22 HA LYS 22 5.019 -0.922 5.287 114 HB2 LYS 22 HB2 LYS 22 4.346 -3.364 4.508 115 HB3 LYS 22 HB1 LYS 22 5.699 -3.057 5.593 116 HG2 LYS 22 HG2 LYS 22 4.576 -3.772 7.418 117 HG3 LYS 22 HG1 LYS 22 2.994 -3.438 6.710 118 HD2 LYS 22 HD2 LYS 22 3.396 -5.859 6.884 119 HD3 LYS 22 HD1 LYS 22 3.222 -5.347 5.207 120 HE2 LYS 22 HE2 LYS 22 5.670 -5.337 4.981 121 HE3 LYS 22 HE1 LYS 22 5.812 -5.903 6.645 122 HZ1 LYS 22 HZ1 LYS 22 5.990 -7.790 5.266 123 HZ2 LYS 22 HZ2 LYS 22 4.648 -7.345 4.331 124 HZ3 LYS 22 HZ3 LYS 22 4.430 -7.859 5.932 125 H THR 23 HN THR 23 4.162 -1.877 3.149 126 HA THR 23 HA THR 23 1.363 -1.227 2.756 127 HB THR 23 HB THR 23 2.011 -0.577 0.461 128 HG1 THR 23 HG1 THR 23 4.439 -0.105 0.337 129 HG21 THR 23 HG21 THR 23 3.269 0.816 2.801 130 HG22 THR 23 HG22 THR 23 1.764 1.219 1.963 131 HG23 THR 23 HG23 THR 23 3.318 1.507 1.176 132 H ALA 24 HN ALA 24 0.254 -2.799 2.080 133 HA ALA 24 HA ALA 24 1.406 -5.040 0.579 134 HB1 ALA 24 HB1 ALA 24 1.062 -6.363 2.332 135 HB2 ALA 24 HB2 ALA 24 -0.658 -6.085 2.087 136 HB3 ALA 24 HB3 ALA 24 0.241 -5.075 3.210 137 H ARG 25 HN ARG 25 -0.410 -6.377 -0.453 138 HA ARG 25 HA ARG 25 -2.778 -4.714 -0.969 139 HB2 ARG 25 HB2 ARG 25 -1.715 -6.629 -2.948 140 HB3 ARG 25 HB1 ARG 25 -3.051 -5.554 -3.167 141 HG2 ARG 25 HG2 ARG 25 -1.554 -3.659 -3.200 142 HG3 ARG 25 HG1 ARG 25 -0.167 -4.721 -2.909 143 HD2 ARG 25 HD2 ARG 25 -0.380 -5.763 -4.988 144 HD3 ARG 25 HD1 ARG 25 -2.036 -5.193 -5.202 145 HE ARG 25 HE ARG 25 -0.722 -2.892 -5.243 146 HH11 ARG 25 HH11 ARG 25 0.105 -5.931 -6.743 147 HH12 ARG 25 HH12 ARG 25 0.828 -5.198 -8.146 148 HH21 ARG 25 HH21 ARG 25 0.235 -1.900 -7.070 149 HH22 ARG 25 HH22 ARG 25 0.960 -2.896 -8.301 150 H ASP 26 HN ASP 26 -4.646 -5.657 -0.923 151 HA ASP 26 HA ASP 26 -4.995 -8.349 0.003 152 HB2 ASP 26 HB2 ASP 26 -6.602 -6.339 0.301 153 HB3 ASP 26 HB1 ASP 26 -7.074 -6.623 -1.370 154 HA PRO 27 HA PRO 27 -4.368 -10.702 -3.642 155 HB2 PRO 27 HB2 PRO 27 -7.171 -11.675 -3.268 156 HB3 PRO 27 HB1 PRO 27 -5.695 -12.595 -3.591 157 HG2 PRO 27 HG2 PRO 27 -6.672 -12.488 -1.135 158 HG3 PRO 27 HG1 PRO 27 -4.924 -12.363 -1.405 159 HD2 PRO 27 HD2 PRO 27 -6.890 -10.246 -0.690 160 HD3 PRO 27 HD1 PRO 27 -5.183 -10.403 -0.233 161 H GLU 28 HN GLU 28 -7.005 -8.490 -3.581 162 HA GLU 28 HA GLU 28 -7.873 -8.913 -6.282 163 HB2 GLU 28 HB2 GLU 28 -9.180 -6.869 -5.944 164 HB3 GLU 28 HB1 GLU 28 -9.381 -7.980 -4.599 165 HG2 GLU 28 HG2 GLU 28 -7.676 -6.636 -3.343 166 HG3 GLU 28 HG1 GLU 28 -7.734 -5.469 -4.664 167 H GLY 29 HN GLY 29 -5.135 -7.502 -4.908 168 HA2 GLY 29 HA2 GLY 29 -3.333 -6.645 -6.134 169 HA3 GLY 29 HA1 GLY 29 -4.426 -6.313 -7.478 170 H LYS 30 HN LYS 30 -5.645 -5.333 -4.499 171 HA LYS 30 HA LYS 30 -4.980 -2.543 -5.148 172 HB2 LYS 30 HB2 LYS 30 -7.223 -3.712 -3.482 173 HB3 LYS 30 HB1 LYS 30 -6.879 -1.992 -3.574 174 HG2 LYS 30 HG2 LYS 30 -7.602 -3.730 -5.922 175 HG3 LYS 30 HG1 LYS 30 -8.723 -2.689 -5.042 176 HD2 LYS 30 HD2 LYS 30 -7.329 -0.743 -5.633 177 HD3 LYS 30 HD1 LYS 30 -6.277 -1.807 -6.569 178 HE2 LYS 30 HE2 LYS 30 -8.210 -2.432 -7.971 179 HE3 LYS 30 HE1 LYS 30 -9.205 -1.292 -7.064 180 HZ1 LYS 30 HZ1 LYS 30 -6.796 -0.581 -8.647 181 HZ2 LYS 30 HZ2 LYS 30 -7.796 0.506 -7.810 182 HZ3 LYS 30 HZ3 LYS 30 -8.401 -0.348 -9.146 183 H ILE 31 HN ILE 31 -3.730 -1.442 -3.948 184 HA ILE 31 HA ILE 31 -2.347 -2.828 -1.852 185 HB ILE 31 HB ILE 31 -1.290 -1.475 -3.674 186 HG12 ILE 31 HG12 ILE 31 -0.226 -2.134 -1.415 187 HG13 ILE 31 HG11 ILE 31 0.570 -0.915 -2.379 188 HG21 ILE 31 HG21 ILE 31 -1.070 0.946 -3.360 189 HG22 ILE 31 HG22 ILE 31 -2.249 0.862 -2.050 190 HG23 ILE 31 HG23 ILE 31 -2.726 0.441 -3.697 191 HD11 ILE 31 HD11 ILE 31 0.504 -0.421 0.028 192 HD12 ILE 31 HD12 ILE 31 -1.252 -0.307 -0.114 193 HD13 ILE 31 HD13 ILE 31 -0.223 0.826 -0.987 194 H TYR 32 HN TYR 32 -1.987 -1.952 0.220 195 HA TYR 32 HA TYR 32 -3.871 -0.044 1.280 196 HB2 TYR 32 HB2 TYR 32 -4.032 -2.995 1.928 197 HB3 TYR 32 HB1 TYR 32 -4.639 -1.758 3.025 198 HD1 TYR 32 HD2 TYR 32 -6.256 0.000 1.857 199 HD2 TYR 32 HD1 TYR 32 -5.533 -3.949 0.452 200 HE1 TYR 32 HE2 TYR 32 -8.388 0.054 0.635 201 HE2 TYR 32 HE1 TYR 32 -7.663 -3.909 -0.776 202 HH TYR 32 HH TYR 32 -9.824 -2.725 -0.661 203 H TYR 33 HN TYR 33 -3.436 0.018 3.747 204 HA TYR 33 HA TYR 33 -0.567 -0.335 4.042 205 HB2 TYR 33 HB2 TYR 33 -1.679 2.053 3.747 206 HB3 TYR 33 HB1 TYR 33 -2.023 1.857 5.448 207 HD1 TYR 33 HD2 TYR 33 -0.112 1.495 7.045 208 HD2 TYR 33 HD1 TYR 33 0.489 2.727 3.019 209 HE1 TYR 33 HE2 TYR 33 2.146 2.263 7.625 210 HE2 TYR 33 HE1 TYR 33 2.755 3.495 3.588 211 HH TYR 33 HH TYR 33 3.970 4.262 5.676 212 H TYR 34 HN TYR 34 0.091 -0.706 6.098 213 HA TYR 34 HA TYR 34 -1.885 -1.242 8.188 214 HB2 TYR 34 HB2 TYR 34 0.332 -3.141 7.348 215 HB3 TYR 34 HB1 TYR 34 -0.549 -3.282 8.860 216 HD1 TYR 34 HD2 TYR 34 -0.757 -3.680 5.209 217 HD2 TYR 34 HD1 TYR 34 -2.795 -4.153 8.916 218 HE1 TYR 34 HE2 TYR 34 -2.431 -5.105 4.103 219 HE2 TYR 34 HE1 TYR 34 -4.470 -5.580 7.820 220 HH TYR 34 HH TYR 34 -5.375 -5.982 5.580 221 H HIS 35 HN HIS 35 -1.277 -0.169 9.995 222 HA HIS 35 HA HIS 35 1.575 0.605 10.135 223 HB2 HIS 35 HB2 HIS 35 -0.260 2.402 9.821 224 HB3 HIS 35 HB1 HIS 35 -0.701 2.073 11.487 225 HD1 HIS 35 HD1 HIS 35 0.145 4.854 10.789 226 HD2 HIS 35 HD2 HIS 35 2.844 1.927 12.004 227 HE1 HIS 35 HE1 HIS 35 2.135 6.097 11.694 228 HE2 HIS 35 HE2 HIS 35 3.697 4.313 12.551 229 H VAL 36 HN VAL 36 2.686 -0.181 11.782 230 HA VAL 36 HA VAL 36 1.886 -2.358 13.230 231 HB VAL 36 HB VAL 36 3.986 -0.484 14.267 232 HG11 VAL 36 HG11 VAL 36 3.762 -3.490 14.263 233 HG12 VAL 36 HG12 VAL 36 3.534 -2.424 15.651 234 HG13 VAL 36 HG13 VAL 36 5.122 -2.562 14.896 235 HG21 VAL 36 HG21 VAL 36 5.055 -0.587 12.339 236 HG22 VAL 36 HG22 VAL 36 3.786 -1.622 11.640 237 HG23 VAL 36 HG23 VAL 36 5.160 -2.341 12.519 238 H ILE 37 HN ILE 37 1.386 0.907 14.129 239 HA ILE 37 HA ILE 37 1.576 0.814 16.895 240 HB ILE 37 HB ILE 37 -0.083 2.761 16.839 241 HG12 ILE 37 HG12 ILE 37 0.314 2.445 13.853 242 HG13 ILE 37 HG11 ILE 37 -1.194 2.086 14.693 243 HG21 ILE 37 HG21 ILE 37 2.417 2.891 15.164 244 HG22 ILE 37 HG22 ILE 37 2.330 3.038 16.919 245 HG23 ILE 37 HG23 ILE 37 1.590 4.268 15.893 246 HD11 ILE 37 HD11 ILE 37 -1.296 4.252 13.628 247 HD12 ILE 37 HD12 ILE 37 0.146 4.781 14.496 248 HD13 ILE 37 HD13 ILE 37 -1.340 4.439 15.382 249 H THR 38 HN THR 38 -1.428 0.559 15.013 250 HA THR 38 HA THR 38 -2.666 -0.797 17.291 251 HB THR 38 HB THR 38 -4.849 -0.037 16.098 252 HG1 THR 38 HG1 THR 38 -4.581 1.902 14.916 253 HG21 THR 38 HG21 THR 38 -3.095 1.945 17.555 254 HG22 THR 38 HG22 THR 38 -4.183 0.775 18.297 255 HG23 THR 38 HG23 THR 38 -4.835 2.099 17.331 256 H ARG 39 HN ARG 39 -1.175 -1.323 14.561 257 HA ARG 39 HA ARG 39 -1.204 -2.745 12.805 258 HB2 ARG 39 HB2 ARG 39 -3.221 -4.303 14.431 259 HB3 ARG 39 HB1 ARG 39 -2.154 -4.927 13.171 260 HG2 ARG 39 HG2 ARG 39 -0.228 -4.561 14.497 261 HG3 ARG 39 HG1 ARG 39 -1.148 -3.626 15.687 262 HD2 ARG 39 HD2 ARG 39 -0.741 -5.809 16.594 263 HD3 ARG 39 HD1 ARG 39 -2.450 -5.708 16.172 264 HE ARG 39 HE ARG 39 -1.493 -6.846 13.976 265 HH11 ARG 39 HH11 ARG 39 -0.703 -7.492 17.326 266 HH12 ARG 39 HH12 ARG 39 -0.395 -9.186 17.056 267 HH21 ARG 39 HH21 ARG 39 -1.072 -9.078 13.619 268 HH22 ARG 39 HH22 ARG 39 -0.603 -10.077 14.961 269 H GLN 40 HN GLN 40 -2.694 -0.522 12.710 270 HA GLN 40 HA GLN 40 -5.349 -0.965 11.850 271 HB2 GLN 40 HB2 GLN 40 -5.167 1.488 11.196 272 HB3 GLN 40 HB1 GLN 40 -5.096 1.084 12.892 273 HG2 GLN 40 HG2 GLN 40 -3.231 2.249 13.004 274 HG3 GLN 40 HG1 GLN 40 -2.498 0.982 12.024 275 HE21 GLN 40 HE21 GLN 40 -4.253 1.614 9.796 276 HE22 GLN 40 HE22 GLN 40 -3.551 3.006 9.041 277 H THR 41 HN THR 41 -6.244 -0.390 10.012 278 HA THR 41 HA THR 41 -4.537 -0.483 7.622 279 HB THR 41 HB THR 41 -7.228 -1.771 7.561 280 HG1 THR 41 HG1 THR 41 -6.491 -3.057 9.137 281 HG21 THR 41 HG21 THR 41 -4.634 -1.848 6.110 282 HG22 THR 41 HG22 THR 41 -6.277 -1.700 5.462 283 HG23 THR 41 HG23 THR 41 -5.691 -3.266 6.029 284 H GLN 42 HN GLN 42 -5.522 0.518 5.725 285 HA GLN 42 HA GLN 42 -7.523 2.509 6.485 286 HB2 GLN 42 HB2 GLN 42 -5.140 2.841 4.650 287 HB3 GLN 42 HB1 GLN 42 -6.363 4.068 4.938 288 HG2 GLN 42 HG2 GLN 42 -4.836 4.807 6.423 289 HG3 GLN 42 HG1 GLN 42 -5.624 3.612 7.453 290 HE21 GLN 42 HE21 GLN 42 -4.487 1.378 6.063 291 HE22 GLN 42 HE22 GLN 42 -2.830 1.264 6.516 292 H TRP 43 HN TRP 43 -8.498 3.518 4.493 293 HA TRP 43 HA TRP 43 -9.560 1.313 2.875 294 HB2 TRP 43 HB2 TRP 43 -10.662 3.549 4.198 295 HB3 TRP 43 HB1 TRP 43 -10.859 3.847 2.480 296 HD1 TRP 43 HD1 TRP 43 -12.689 2.488 1.210 297 HE1 TRP 43 HE1 TRP 43 -14.497 0.808 1.939 298 HE3 TRP 43 HE3 TRP 43 -11.068 1.581 5.971 299 HZ2 TRP 43 HZ2 TRP 43 -15.143 -0.709 4.231 300 HZ3 TRP 43 HZ3 TRP 43 -12.335 0.002 7.367 301 HH2 TRP 43 HH2 TRP 43 -14.331 -1.120 6.514 302 H ASP 44 HN ASP 44 -7.491 3.934 2.743 303 HA ASP 44 HA ASP 44 -7.865 4.371 -0.138 304 HB2 ASP 44 HB2 ASP 44 -7.894 6.353 1.352 305 HB3 ASP 44 HB1 ASP 44 -6.240 5.989 1.835 306 HA PRO 45 HA PRO 45 -4.263 1.841 -0.824 307 HB2 PRO 45 HB2 PRO 45 -4.556 2.624 -3.621 308 HB3 PRO 45 HB1 PRO 45 -4.784 1.040 -2.880 309 HG2 PRO 45 HG2 PRO 45 -6.837 2.492 -3.863 310 HG3 PRO 45 HG1 PRO 45 -7.017 1.409 -2.471 311 HD2 PRO 45 HD2 PRO 45 -6.683 4.387 -2.523 312 HD3 PRO 45 HD1 PRO 45 -7.779 3.395 -1.537 313 HA PRO 46 HA PRO 46 -1.308 5.263 -1.102 314 HB2 PRO 46 HB2 PRO 46 0.610 3.379 -0.006 315 HB3 PRO 46 HB1 PRO 46 -0.021 4.872 0.702 316 HG2 PRO 46 HG2 PRO 46 -0.641 2.399 1.659 317 HG3 PRO 46 HG1 PRO 46 -1.723 3.795 1.795 318 HD2 PRO 46 HD2 PRO 46 -1.807 1.514 -0.140 319 HD3 PRO 46 HD1 PRO 46 -3.144 2.340 0.689 320 H THR 47 HN THR 47 0.647 2.316 -1.283 321 HA THR 47 HA THR 47 1.212 2.418 -4.041 322 HB THR 47 HB THR 47 3.222 3.766 -2.193 323 HG1 THR 47 HG1 THR 47 1.190 4.812 -3.625 324 HG21 THR 47 HG21 THR 47 4.272 2.412 -3.891 325 HG22 THR 47 HG22 THR 47 4.534 4.121 -4.224 326 HG23 THR 47 HG23 THR 47 3.340 3.211 -5.154 327 H TRP 48 HN TRP 48 1.867 0.540 -4.464 328 HA TRP 48 HA TRP 48 2.285 -1.429 -2.486 329 HB2 TRP 48 HB2 TRP 48 1.179 -1.893 -4.530 330 HB3 TRP 48 HB1 TRP 48 2.547 -1.334 -5.452 331 HD1 TRP 48 HD1 TRP 48 3.608 -3.345 -6.627 332 HE1 TRP 48 HE1 TRP 48 4.234 -5.757 -5.977 333 HE3 TRP 48 HE3 TRP 48 1.756 -3.411 -1.861 334 HZ2 TRP 48 HZ2 TRP 48 3.979 -7.457 -3.742 335 HZ3 TRP 48 HZ3 TRP 48 1.995 -5.468 -0.536 336 HH2 TRP 48 HH2 TRP 48 3.084 -7.446 -1.458 337 H GLU 49 HN GLU 49 4.278 0.609 -4.233 338 HA GLU 49 HA GLU 49 6.659 -0.994 -3.942 339 HB2 GLU 49 HB2 GLU 49 6.210 1.627 -5.335 340 HB3 GLU 49 HB1 GLU 49 7.691 0.682 -5.431 341 HG2 GLU 49 HG2 GLU 49 5.006 -0.328 -6.354 342 HG3 GLU 49 HG1 GLU 49 6.111 0.549 -7.399 343 H SER 50 HN SER 50 5.614 2.166 -3.413 344 HA SER 50 HA SER 50 6.080 3.859 -1.985 345 HB2 SER 50 HB2 SER 50 5.938 3.148 0.420 346 HB3 SER 50 HB1 SER 50 4.636 2.579 -0.623 347 HG SER 50 HG SER 50 6.756 0.852 -0.508 348 HA PRO 51 HA PRO 51 10.608 3.917 -1.417 349 HB2 PRO 51 HB2 PRO 51 10.940 6.452 -1.994 350 HB3 PRO 51 HB1 PRO 51 10.551 5.324 -3.307 351 HG2 PRO 51 HG2 PRO 51 8.672 7.035 -1.696 352 HG3 PRO 51 HG1 PRO 51 8.856 7.013 -3.466 353 HD2 PRO 51 HD2 PRO 51 6.958 5.646 -2.217 354 HD3 PRO 51 HD1 PRO 51 7.798 4.953 -3.632 355 H GLY 52 HN GLY 52 8.472 4.167 0.565 356 HA2 GLY 52 HA2 GLY 52 8.575 4.856 2.846 357 HA3 GLY 52 HA1 GLY 52 9.492 6.251 2.298 358 H ASP 53 HN ASP 53 8.441 7.927 1.145 359 HA ASP 53 HA ASP 53 5.744 7.712 0.298 360 HB2 ASP 53 HB2 ASP 53 4.633 9.251 1.767 361 HB3 ASP 53 HB1 ASP 53 5.377 8.016 2.771 362 H ASP 54 HN ASP 54 8.360 8.378 -0.558 363 HA ASP 54 HA ASP 54 8.673 11.206 -0.782 364 HB2 ASP 54 HB2 ASP 54 10.557 9.659 -0.573 365 HB3 ASP 54 HB1 ASP 54 10.116 8.950 -2.117 366 H ALA 55 HN ALA 55 8.768 8.846 -3.395 367 HA ALA 55 HA ALA 55 6.661 10.082 -4.883 368 HB1 ALA 55 HB1 ALA 55 8.044 10.755 -6.790 369 HB2 ALA 55 HB2 ALA 55 9.499 10.332 -5.887 370 HB3 ALA 55 HB3 ALA 55 8.477 11.662 -5.340 371 H SER 56 HN SER 56 5.855 8.668 -6.346 372 HA SER 56 HA SER 56 7.415 6.402 -7.240 373 HB2 SER 56 HB2 SER 56 6.548 5.669 -5.032 374 HB3 SER 56 HB1 SER 56 4.904 6.006 -5.585 375 HG SER 56 HG SER 56 6.422 4.346 -7.199 Start of MODEL 9 1 H1 GLY 9 HT1 GLY 9 15.396 7.957 3.933 2 H2 GLY 9 HT2 GLY 9 15.141 9.455 4.680 3 H3 GLY 9 HT3 GLY 9 16.486 9.227 3.670 4 HA2 GLY 9 HA1 GLY 9 14.781 10.500 2.539 5 HA3 GLY 9 HA2 GLY 9 15.061 8.951 1.757 6 H SER 10 HN SER 10 12.743 10.346 1.317 7 HA SER 10 HA SER 10 10.684 9.185 3.041 8 HB2 SER 10 HB2 SER 10 10.289 11.048 0.728 9 HB3 SER 10 HB1 SER 10 9.196 10.758 2.076 10 HG SER 10 HG SER 10 10.732 11.745 3.449 11 H LYS 11 HN LYS 11 12.287 7.684 0.873 12 HA LYS 11 HA LYS 11 10.228 7.404 -1.166 13 HB2 LYS 11 HB2 LYS 11 13.078 6.426 -1.283 14 HB3 LYS 11 HB1 LYS 11 11.941 6.535 -2.618 15 HG2 LYS 11 HG2 LYS 11 11.888 9.048 -2.116 16 HG3 LYS 11 HG1 LYS 11 13.342 8.745 -1.165 17 HD2 LYS 11 HD2 LYS 11 12.994 8.048 -4.078 18 HD3 LYS 11 HD1 LYS 11 13.837 9.468 -3.471 19 HE2 LYS 11 HE2 LYS 11 14.635 6.694 -2.658 20 HE3 LYS 11 HE1 LYS 11 15.236 7.431 -4.142 21 HZ1 LYS 11 HZ1 LYS 11 16.830 7.883 -2.512 22 HZ2 LYS 11 HZ2 LYS 11 15.671 8.316 -1.351 23 HZ3 LYS 11 HZ3 LYS 11 15.964 9.334 -2.683 24 HA PRO 12 HA PRO 12 8.981 3.285 0.113 25 HB2 PRO 12 HB2 PRO 12 7.538 3.130 -2.231 26 HB3 PRO 12 HB1 PRO 12 6.936 3.664 -0.676 27 HG2 PRO 12 HG2 PRO 12 7.915 5.263 -2.939 28 HG3 PRO 12 HG1 PRO 12 6.542 5.573 -1.868 29 HD2 PRO 12 HD2 PRO 12 8.775 6.899 -1.591 30 HD3 PRO 12 HD1 PRO 12 7.913 6.317 -0.164 31 H LYS 13 HN LYS 13 9.965 1.508 -0.298 32 HA LYS 13 HA LYS 13 10.906 0.952 -2.992 33 HB2 LYS 13 HB2 LYS 13 12.363 0.184 -0.458 34 HB3 LYS 13 HB1 LYS 13 12.848 -0.253 -2.086 35 HG2 LYS 13 HG2 LYS 13 13.070 2.210 -2.560 36 HG3 LYS 13 HG1 LYS 13 12.859 2.477 -0.829 37 HD2 LYS 13 HD2 LYS 13 15.026 0.817 -2.118 38 HD3 LYS 13 HD1 LYS 13 15.223 2.435 -1.446 39 HE2 LYS 13 HE2 LYS 13 14.620 1.596 0.766 40 HE3 LYS 13 HE1 LYS 13 14.395 -0.019 0.099 41 HZ1 LYS 13 HZ1 LYS 13 16.545 0.138 1.124 42 HZ2 LYS 13 HZ2 LYS 13 16.941 1.503 0.199 43 HZ3 LYS 13 HZ3 LYS 13 16.748 -0.002 -0.557 44 H THR 14 HN THR 14 11.128 -1.476 -3.294 45 HA THR 14 HA THR 14 8.671 -2.639 -2.437 46 HB THR 14 HB THR 14 9.748 -4.693 -3.714 47 HG1 THR 14 HG1 THR 14 11.101 -2.897 -5.276 48 HG21 THR 14 HG21 THR 14 8.951 -2.155 -5.144 49 HG22 THR 14 HG22 THR 14 7.834 -3.350 -4.488 50 HG23 THR 14 HG23 THR 14 8.913 -3.789 -5.813 51 H ILE 15 HN ILE 15 9.307 -2.427 -0.174 52 HA ILE 15 HA ILE 15 10.891 -4.677 0.832 53 HB ILE 15 HB ILE 15 9.987 -2.430 2.555 54 HG12 ILE 15 HG12 ILE 15 12.279 -2.174 0.612 55 HG13 ILE 15 HG11 ILE 15 10.713 -1.409 0.386 56 HG21 ILE 15 HG21 ILE 15 11.301 -4.290 3.468 57 HG22 ILE 15 HG22 ILE 15 12.182 -2.767 3.582 58 HG23 ILE 15 HG23 ILE 15 12.595 -3.935 2.326 59 HD11 ILE 15 HD11 ILE 15 12.349 0.156 1.269 60 HD12 ILE 15 HD12 ILE 15 12.645 -0.897 2.654 61 HD13 ILE 15 HD13 ILE 15 11.069 -0.128 2.448 62 H VAL 16 HN VAL 16 9.799 -6.205 2.103 63 HA VAL 16 HA VAL 16 7.041 -5.522 2.797 64 HB VAL 16 HB VAL 16 7.320 -7.756 1.881 65 HG11 VAL 16 HG11 VAL 16 9.252 -8.198 4.128 66 HG12 VAL 16 HG12 VAL 16 9.546 -8.296 2.392 67 HG13 VAL 16 HG13 VAL 16 8.531 -9.498 3.182 68 HG21 VAL 16 HG21 VAL 16 5.564 -7.432 3.528 69 HG22 VAL 16 HG22 VAL 16 6.686 -7.832 4.827 70 HG23 VAL 16 HG23 VAL 16 6.230 -9.061 3.647 71 H LEU 17 HN LEU 17 6.891 -4.277 4.526 72 HA LEU 17 HA LEU 17 8.719 -4.517 6.739 73 HB2 LEU 17 HB2 LEU 17 6.223 -2.894 6.325 74 HB3 LEU 17 HB1 LEU 17 7.181 -2.815 7.777 75 HG LEU 17 HG LEU 17 9.059 -2.239 5.984 76 HD11 LEU 17 HD11 LEU 17 6.496 -1.316 4.723 77 HD12 LEU 17 HD12 LEU 17 7.726 -2.351 4.000 78 HD13 LEU 17 HD13 LEU 17 8.080 -0.656 4.322 79 HD21 LEU 17 HD21 LEU 17 9.010 -0.142 6.853 80 HD22 LEU 17 HD22 LEU 17 7.909 -0.941 7.990 81 HD23 LEU 17 HD23 LEU 17 7.266 0.009 6.648 82 HA PRO 18 HA PRO 18 7.599 -7.679 9.440 83 HB2 PRO 18 HB2 PRO 18 5.812 -5.594 10.687 84 HB3 PRO 18 HB1 PRO 18 6.797 -6.827 11.483 85 HG2 PRO 18 HG2 PRO 18 7.617 -4.220 10.979 86 HG3 PRO 18 HG1 PRO 18 8.698 -5.584 11.304 87 HD2 PRO 18 HD2 PRO 18 8.546 -4.111 8.901 88 HD3 PRO 18 HD1 PRO 18 9.367 -5.674 9.123 89 HA PRO 19 HA PRO 19 3.215 -8.283 8.023 90 HB2 PRO 19 HB2 PRO 19 1.400 -8.568 10.055 91 HB3 PRO 19 HB1 PRO 19 2.550 -9.822 9.591 92 HG2 PRO 19 HG2 PRO 19 2.481 -8.220 12.010 93 HG3 PRO 19 HG1 PRO 19 3.492 -9.624 11.636 94 HD2 PRO 19 HD2 PRO 19 4.156 -6.774 11.519 95 HD3 PRO 19 HD1 PRO 19 5.236 -8.183 11.483 96 H ASN 20 HN ASN 20 3.746 -5.585 9.928 97 HA ASN 20 HA ASN 20 1.753 -4.117 8.454 98 HB2 ASN 20 HB2 ASN 20 1.953 -2.810 10.963 99 HB3 ASN 20 HB1 ASN 20 0.543 -3.468 10.206 100 HD21 ASN 20 HD21 ASN 20 1.165 -3.133 12.859 101 HD22 ASN 20 HD22 ASN 20 1.074 -4.674 13.594 102 H TRP 21 HN TRP 21 2.296 -1.659 9.636 103 HA TRP 21 HA TRP 21 3.762 0.084 9.651 104 HB2 TRP 21 HB2 TRP 21 5.269 -1.571 10.818 105 HB3 TRP 21 HB1 TRP 21 5.897 -1.964 9.235 106 HD1 TRP 21 HD1 TRP 21 5.287 1.717 9.795 107 HE1 TRP 21 HE1 TRP 21 7.528 2.932 10.170 108 HE3 TRP 21 HE3 TRP 21 8.336 -2.356 10.331 109 HZ2 TRP 21 HZ2 TRP 21 10.221 2.250 10.626 110 HZ3 TRP 21 HZ3 TRP 21 10.731 -1.983 10.740 111 HH2 TRP 21 HH2 TRP 21 11.655 0.275 10.883 112 H LYS 22 HN LYS 22 3.104 -1.963 7.332 113 HA LYS 22 HA LYS 22 4.595 -0.619 5.209 114 HB2 LYS 22 HB2 LYS 22 3.955 -2.814 3.987 115 HB3 LYS 22 HB1 LYS 22 5.348 -2.759 5.058 116 HG2 LYS 22 HG2 LYS 22 4.339 -3.965 6.649 117 HG3 LYS 22 HG1 LYS 22 2.708 -3.470 6.179 118 HD2 LYS 22 HD2 LYS 22 3.022 -4.802 4.051 119 HD3 LYS 22 HD1 LYS 22 4.546 -5.389 4.706 120 HE2 LYS 22 HE2 LYS 22 3.021 -7.097 5.143 121 HE3 LYS 22 HE1 LYS 22 3.170 -6.239 6.677 122 HZ1 LYS 22 HZ1 LYS 22 0.991 -5.778 4.716 123 HZ2 LYS 22 HZ2 LYS 22 1.106 -5.141 6.279 124 HZ3 LYS 22 HZ3 LYS 22 0.860 -6.801 6.058 125 H THR 23 HN THR 23 3.457 -0.818 3.075 126 HA THR 23 HA THR 23 0.568 -1.051 3.254 127 HB THR 23 HB THR 23 0.241 0.633 1.603 128 HG1 THR 23 HG1 THR 23 2.848 0.177 1.010 129 HG21 THR 23 HG21 THR 23 2.248 1.637 3.623 130 HG22 THR 23 HG22 THR 23 0.505 1.505 3.861 131 HG23 THR 23 HG23 THR 23 1.150 2.654 2.688 132 H ALA 24 HN ALA 24 -0.102 -2.576 1.993 133 HA ALA 24 HA ALA 24 1.573 -3.589 -0.185 134 HB1 ALA 24 HB1 ALA 24 2.162 -5.399 0.930 135 HB2 ALA 24 HB2 ALA 24 0.457 -5.793 1.125 136 HB3 ALA 24 HB3 ALA 24 1.274 -4.824 2.345 137 H ARG 25 HN ARG 25 0.335 -5.379 -1.385 138 HA ARG 25 HA ARG 25 -2.530 -4.781 -1.337 139 HB2 ARG 25 HB2 ARG 25 -1.129 -5.607 -3.785 140 HB3 ARG 25 HB1 ARG 25 -2.750 -5.004 -3.666 141 HG2 ARG 25 HG2 ARG 25 -1.758 -2.804 -2.978 142 HG3 ARG 25 HG1 ARG 25 -0.174 -3.462 -3.400 143 HD2 ARG 25 HD2 ARG 25 -2.164 -3.913 -5.467 144 HD3 ARG 25 HD1 ARG 25 -1.937 -2.196 -5.110 145 HE ARG 25 HE ARG 25 0.602 -3.182 -5.374 146 HH11 ARG 25 HH11 ARG 25 -2.265 -3.153 -7.375 147 HH12 ARG 25 HH12 ARG 25 -1.384 -3.116 -8.870 148 HH21 ARG 25 HH21 ARG 25 1.779 -3.081 -7.329 149 HH22 ARG 25 HH22 ARG 25 0.924 -3.052 -8.853 150 H ASP 26 HN ASP 26 -3.880 -6.384 -1.466 151 HA ASP 26 HA ASP 26 -3.079 -9.078 -1.047 152 HB2 ASP 26 HB2 ASP 26 -5.645 -7.636 -1.507 153 HB3 ASP 26 HB1 ASP 26 -5.620 -9.345 -1.931 154 HA PRO 27 HA PRO 27 -1.822 -10.698 -4.773 155 HB2 PRO 27 HB2 PRO 27 -4.194 -12.512 -4.860 156 HB3 PRO 27 HB1 PRO 27 -2.475 -12.892 -5.026 157 HG2 PRO 27 HG2 PRO 27 -3.731 -13.384 -2.748 158 HG3 PRO 27 HG1 PRO 27 -2.083 -12.725 -2.741 159 HD2 PRO 27 HD2 PRO 27 -4.675 -11.361 -2.178 160 HD3 PRO 27 HD1 PRO 27 -3.076 -11.097 -1.454 161 H GLU 28 HN GLU 28 -5.040 -9.384 -4.834 162 HA GLU 28 HA GLU 28 -5.263 -9.734 -7.710 163 HB2 GLU 28 HB2 GLU 28 -7.457 -8.620 -7.425 164 HB3 GLU 28 HB1 GLU 28 -7.269 -10.081 -6.466 165 HG2 GLU 28 HG2 GLU 28 -7.188 -8.944 -4.484 166 HG3 GLU 28 HG1 GLU 28 -6.644 -7.437 -5.232 167 H GLY 29 HN GLY 29 -3.835 -7.467 -5.654 168 HA2 GLY 29 HA2 GLY 29 -2.582 -5.690 -6.615 169 HA3 GLY 29 HA1 GLY 29 -3.774 -5.586 -7.900 170 H LYS 30 HN LYS 30 -5.224 -5.878 -4.843 171 HA LYS 30 HA LYS 30 -5.788 -2.990 -4.847 172 HB2 LYS 30 HB2 LYS 30 -7.207 -5.177 -3.316 173 HB3 LYS 30 HB1 LYS 30 -7.706 -3.496 -3.444 174 HG2 LYS 30 HG2 LYS 30 -7.548 -5.455 -5.721 175 HG3 LYS 30 HG1 LYS 30 -9.020 -4.958 -4.888 176 HD2 LYS 30 HD2 LYS 30 -8.854 -2.750 -5.716 177 HD3 LYS 30 HD1 LYS 30 -7.195 -3.001 -6.267 178 HE2 LYS 30 HE2 LYS 30 -8.885 -3.024 -8.099 179 HE3 LYS 30 HE1 LYS 30 -7.930 -4.501 -7.989 180 HZ1 LYS 30 HZ1 LYS 30 -10.287 -4.958 -8.339 181 HZ2 LYS 30 HZ2 LYS 30 -10.673 -4.146 -6.900 182 HZ3 LYS 30 HZ3 LYS 30 -9.757 -5.576 -6.848 183 H ILE 31 HN ILE 31 -5.196 -1.704 -3.214 184 HA ILE 31 HA ILE 31 -3.092 -2.870 -1.572 185 HB ILE 31 HB ILE 31 -2.855 -0.894 -3.215 186 HG12 ILE 31 HG12 ILE 31 -1.354 -1.895 -1.233 187 HG13 ILE 31 HG11 ILE 31 -0.846 -0.553 -2.232 188 HG21 ILE 31 HG21 ILE 31 -3.838 0.575 -0.778 189 HG22 ILE 31 HG22 ILE 31 -4.632 0.501 -2.351 190 HG23 ILE 31 HG23 ILE 31 -3.076 1.314 -2.185 191 HD11 ILE 31 HD11 ILE 31 -0.470 -0.254 0.197 192 HD12 ILE 31 HD12 ILE 31 -2.217 -0.244 0.386 193 HD13 ILE 31 HD13 ILE 31 -1.440 1.015 -0.556 194 H TYR 32 HN TYR 32 -2.729 -2.244 0.568 195 HA TYR 32 HA TYR 32 -4.887 -1.088 2.123 196 HB2 TYR 32 HB2 TYR 32 -5.135 -3.018 3.607 197 HB3 TYR 32 HB1 TYR 32 -5.519 -3.506 1.960 198 HD1 TYR 32 HD2 TYR 32 -3.102 -3.812 4.705 199 HD2 TYR 32 HD1 TYR 32 -4.107 -5.087 0.769 200 HE1 TYR 32 HE2 TYR 32 -1.455 -5.623 4.879 201 HE2 TYR 32 HE1 TYR 32 -2.461 -6.908 0.938 202 HH TYR 32 HH TYR 32 -1.063 -7.867 3.842 203 H TYR 33 HN TYR 33 -4.017 -0.515 4.323 204 HA TYR 33 HA TYR 33 -1.127 -0.629 4.306 205 HB2 TYR 33 HB2 TYR 33 -1.988 1.934 5.196 206 HB3 TYR 33 HB1 TYR 33 -0.989 1.567 3.827 207 HD1 TYR 33 HD2 TYR 33 -4.376 2.337 4.938 208 HD2 TYR 33 HD1 TYR 33 -1.920 1.512 1.571 209 HE1 TYR 33 HE2 TYR 33 -6.158 3.140 3.452 210 HE2 TYR 33 HE1 TYR 33 -3.698 2.310 0.073 211 HH TYR 33 HH TYR 33 -6.161 2.577 0.129 212 H TYR 34 HN TYR 34 -0.295 -0.782 6.356 213 HA TYR 34 HA TYR 34 -1.984 -0.117 8.663 214 HB2 TYR 34 HB2 TYR 34 -0.585 -2.791 8.317 215 HB3 TYR 34 HB1 TYR 34 -1.303 -2.228 9.816 216 HD1 TYR 34 HD1 TYR 34 -3.868 -1.681 9.701 217 HD2 TYR 34 HD2 TYR 34 -1.807 -4.124 6.900 218 HE1 TYR 34 HE1 TYR 34 -5.991 -2.764 9.092 219 HE2 TYR 34 HE2 TYR 34 -3.921 -5.204 6.273 220 HH TYR 34 HH TYR 34 -6.930 -3.992 7.083 221 H HIS 35 HN HIS 35 -0.810 0.651 10.404 222 HA HIS 35 HA HIS 35 2.122 0.467 10.110 223 HB2 HIS 35 HB2 HIS 35 0.420 2.541 11.487 224 HB3 HIS 35 HB1 HIS 35 2.146 2.392 11.793 225 HD1 HIS 35 HD1 HIS 35 0.552 4.823 10.370 226 HD2 HIS 35 HD2 HIS 35 2.952 1.951 8.554 227 HE1 HIS 35 HE1 HIS 35 1.327 5.850 8.211 228 HE2 HIS 35 HE2 HIS 35 2.667 4.045 7.064 229 H VAL 36 HN VAL 36 3.283 -0.523 11.592 230 HA VAL 36 HA VAL 36 2.139 -2.484 13.183 231 HB VAL 36 HB VAL 36 4.910 -1.394 12.920 232 HG11 VAL 36 HG11 VAL 36 5.759 -3.094 14.469 233 HG12 VAL 36 HG12 VAL 36 4.105 -3.523 14.907 234 HG13 VAL 36 HG13 VAL 36 4.735 -1.925 15.306 235 HG21 VAL 36 HG21 VAL 36 5.347 -3.367 11.812 236 HG22 VAL 36 HG22 VAL 36 3.638 -3.115 11.377 237 HG23 VAL 36 HG23 VAL 36 4.085 -4.247 12.671 238 H ILE 37 HN ILE 37 2.783 0.787 13.984 239 HA ILE 37 HA ILE 37 3.367 0.675 16.694 240 HB ILE 37 HB ILE 37 2.190 2.948 16.789 241 HG12 ILE 37 HG12 ILE 37 2.071 2.505 13.794 242 HG13 ILE 37 HG11 ILE 37 0.658 2.521 14.854 243 HG21 ILE 37 HG21 ILE 37 4.405 2.484 14.798 244 HG22 ILE 37 HG22 ILE 37 4.592 2.698 16.539 245 HG23 ILE 37 HG23 ILE 37 4.005 4.031 15.544 246 HD11 ILE 37 HD11 ILE 37 1.145 4.854 15.426 247 HD12 ILE 37 HD12 ILE 37 0.918 4.637 13.692 248 HD13 ILE 37 HD13 ILE 37 2.542 4.826 14.352 249 H THR 38 HN THR 38 0.152 1.049 15.240 250 HA THR 38 HA THR 38 -1.056 0.295 17.804 251 HB THR 38 HB THR 38 -2.541 1.809 15.662 252 HG1 THR 38 HG1 THR 38 -0.782 2.852 17.657 253 HG21 THR 38 HG21 THR 38 -2.807 1.717 18.670 254 HG22 THR 38 HG22 THR 38 -3.814 0.829 17.526 255 HG23 THR 38 HG23 THR 38 -3.864 2.594 17.561 256 H ARG 39 HN ARG 39 -0.201 -0.822 14.907 257 HA ARG 39 HA ARG 39 -0.922 -2.272 13.327 258 HB2 ARG 39 HB2 ARG 39 -2.894 -3.122 15.464 259 HB3 ARG 39 HB1 ARG 39 -2.426 -4.061 14.044 260 HG2 ARG 39 HG2 ARG 39 -0.268 -4.426 14.842 261 HG3 ARG 39 HG1 ARG 39 -0.383 -3.101 16.015 262 HD2 ARG 39 HD2 ARG 39 -2.077 -5.606 16.154 263 HD3 ARG 39 HD1 ARG 39 -0.509 -5.463 16.951 264 HE ARG 39 HE ARG 39 -1.681 -3.350 17.968 265 HH11 ARG 39 HH11 ARG 39 -3.057 -6.524 17.409 266 HH12 ARG 39 HH12 ARG 39 -4.185 -6.409 18.731 267 HH21 ARG 39 HH21 ARG 39 -3.129 -3.196 19.722 268 HH22 ARG 39 HH22 ARG 39 -4.222 -4.510 20.057 269 H GLN 40 HN GLN 40 -1.752 0.275 13.341 270 HA GLN 40 HA GLN 40 -4.575 0.524 12.945 271 HB2 GLN 40 HB2 GLN 40 -3.942 2.933 12.509 272 HB3 GLN 40 HB1 GLN 40 -3.669 2.323 14.122 273 HG2 GLN 40 HG2 GLN 40 -1.594 3.074 13.940 274 HG3 GLN 40 HG1 GLN 40 -1.355 1.777 12.772 275 HE21 GLN 40 HE21 GLN 40 -3.342 3.049 11.023 276 HE22 GLN 40 HE22 GLN 40 -2.465 4.282 10.190 277 H THR 41 HN THR 41 -5.498 1.512 11.279 278 HA THR 41 HA THR 41 -4.227 0.994 8.665 279 HB THR 41 HB THR 41 -7.167 1.352 9.005 280 HG1 THR 41 HG1 THR 41 -5.707 -0.577 10.224 281 HG21 THR 41 HG21 THR 41 -5.323 -0.153 7.182 282 HG22 THR 41 HG22 THR 41 -6.432 1.161 6.768 283 HG23 THR 41 HG23 THR 41 -7.067 -0.436 7.183 284 H GLN 42 HN GLN 42 -4.327 2.653 7.081 285 HA GLN 42 HA GLN 42 -5.148 5.257 8.179 286 HB2 GLN 42 HB2 GLN 42 -3.208 4.826 5.902 287 HB3 GLN 42 HB1 GLN 42 -3.425 6.275 6.867 288 HG2 GLN 42 HG2 GLN 42 -1.349 5.279 7.485 289 HG3 GLN 42 HG1 GLN 42 -2.479 5.026 8.814 290 HE21 GLN 42 HE21 GLN 42 -2.850 3.232 5.953 291 HE22 GLN 42 HE22 GLN 42 -2.351 1.686 6.561 292 H TRP 43 HN TRP 43 -5.686 6.851 6.377 293 HA TRP 43 HA TRP 43 -7.445 5.552 4.412 294 HB2 TRP 43 HB2 TRP 43 -7.557 7.947 5.999 295 HB3 TRP 43 HB1 TRP 43 -7.683 8.353 4.293 296 HD1 TRP 43 HD1 TRP 43 -9.971 7.904 3.131 297 HE1 TRP 43 HE1 TRP 43 -12.224 6.907 3.889 298 HE3 TRP 43 HE3 TRP 43 -8.546 6.052 7.679 299 HZ2 TRP 43 HZ2 TRP 43 -13.246 5.511 6.112 300 HZ3 TRP 43 HZ3 TRP 43 -10.226 4.895 9.054 301 HH2 TRP 43 HH2 TRP 43 -12.523 4.630 8.288 302 H ASP 44 HN ASP 44 -4.483 7.034 4.787 303 HA ASP 44 HA ASP 44 -4.158 8.311 2.257 304 HB2 ASP 44 HB2 ASP 44 -2.761 8.804 4.271 305 HB3 ASP 44 HB1 ASP 44 -2.017 7.218 4.103 306 HA PRO 45 HA PRO 45 -3.421 4.445 0.120 307 HB2 PRO 45 HB2 PRO 45 -4.280 5.343 -2.283 308 HB3 PRO 45 HB1 PRO 45 -5.380 4.968 -0.953 309 HG2 PRO 45 HG2 PRO 45 -4.694 7.563 -2.096 310 HG3 PRO 45 HG1 PRO 45 -6.006 7.148 -0.985 311 HD2 PRO 45 HD2 PRO 45 -3.378 8.301 -0.400 312 HD3 PRO 45 HD1 PRO 45 -4.816 8.200 0.639 313 HA PRO 46 HA PRO 46 0.575 5.715 -1.824 314 HB2 PRO 46 HB2 PRO 46 1.528 3.187 -0.757 315 HB3 PRO 46 HB1 PRO 46 2.138 4.821 -0.440 316 HG2 PRO 46 HG2 PRO 46 0.867 3.353 1.448 317 HG3 PRO 46 HG1 PRO 46 0.765 5.121 1.390 318 HD2 PRO 46 HD2 PRO 46 -1.200 3.075 0.422 319 HD3 PRO 46 HD1 PRO 46 -1.495 4.580 1.321 320 H THR 47 HN THR 47 -0.422 2.341 -1.351 321 HA THR 47 HA THR 47 -0.867 0.681 -2.851 322 HB THR 47 HB THR 47 0.216 2.471 -5.026 323 HG1 THR 47 HG1 THR 47 -1.767 3.246 -4.764 324 HG21 THR 47 HG21 THR 47 0.368 -0.135 -5.043 325 HG22 THR 47 HG22 THR 47 -0.103 0.752 -6.503 326 HG23 THR 47 HG23 THR 47 -1.337 -0.021 -5.498 327 H TRP 48 HN TRP 48 0.619 -0.126 -1.445 328 HA TRP 48 HA TRP 48 2.291 -1.490 -0.907 329 HB2 TRP 48 HB2 TRP 48 1.773 -2.315 -3.128 330 HB3 TRP 48 HB1 TRP 48 2.875 -1.121 -3.778 331 HD1 TRP 48 HD1 TRP 48 5.598 -1.584 -2.776 332 HE1 TRP 48 HE1 TRP 48 6.788 -3.863 -2.617 333 HE3 TRP 48 HE3 TRP 48 1.513 -4.660 -2.928 334 HZ2 TRP 48 HZ2 TRP 48 6.085 -6.601 -2.565 335 HZ3 TRP 48 HZ3 TRP 48 1.859 -7.090 -2.818 336 HH2 TRP 48 HH2 TRP 48 4.099 -8.040 -2.641 337 H GLU 49 HN GLU 49 3.545 0.669 -3.252 338 HA GLU 49 HA GLU 49 5.326 1.902 -1.376 339 HB2 GLU 49 HB2 GLU 49 7.041 1.849 -3.023 340 HB3 GLU 49 HB1 GLU 49 6.436 0.213 -2.822 341 HG2 GLU 49 HG2 GLU 49 4.961 1.684 -4.745 342 HG3 GLU 49 HG1 GLU 49 6.659 1.586 -5.210 343 H SER 50 HN SER 50 6.264 3.740 -3.481 344 HA SER 50 HA SER 50 3.732 4.762 -4.532 345 HB2 SER 50 HB2 SER 50 4.816 6.234 -2.780 346 HB3 SER 50 HB1 SER 50 6.124 6.501 -3.930 347 HG SER 50 HG SER 50 3.409 6.963 -4.603 348 HA PRO 51 HA PRO 51 6.755 4.971 -8.108 349 HB2 PRO 51 HB2 PRO 51 9.140 5.841 -7.851 350 HB3 PRO 51 HB1 PRO 51 7.862 6.845 -7.138 351 HG2 PRO 51 HG2 PRO 51 9.720 4.916 -5.840 352 HG3 PRO 51 HG1 PRO 51 9.222 6.515 -5.246 353 HD2 PRO 51 HD2 PRO 51 8.118 3.968 -4.625 354 HD3 PRO 51 HD1 PRO 51 7.452 5.547 -4.113 355 H GLY 52 HN GLY 52 7.004 2.553 -6.291 356 HA2 GLY 52 HA2 GLY 52 7.918 0.434 -6.505 357 HA3 GLY 52 HA1 GLY 52 8.983 1.081 -7.737 358 H ASP 53 HN ASP 53 10.778 2.432 -7.022 359 HA ASP 53 HA ASP 53 11.390 2.603 -4.207 360 HB2 ASP 53 HB2 ASP 53 13.581 1.473 -4.360 361 HB3 ASP 53 HB1 ASP 53 12.256 0.356 -4.664 362 H ASP 54 HN ASP 54 10.898 4.299 -6.553 363 HA ASP 54 HA ASP 54 13.491 5.239 -7.454 364 HB2 ASP 54 HB2 ASP 54 11.481 4.693 -8.935 365 HB3 ASP 54 HB1 ASP 54 10.846 6.232 -8.402 366 H ALA 55 HN ALA 55 10.532 7.067 -6.809 367 HA ALA 55 HA ALA 55 11.639 8.750 -4.807 368 HB1 ALA 55 HB1 ALA 55 11.657 10.843 -6.083 369 HB2 ALA 55 HB2 ALA 55 11.310 9.948 -7.564 370 HB3 ALA 55 HB3 ALA 55 12.839 9.701 -6.721 371 H SER 56 HN SER 56 9.964 9.831 -3.762 372 HA SER 56 HA SER 56 7.317 9.573 -5.009 373 HB2 SER 56 HB2 SER 56 6.484 8.723 -2.795 374 HB3 SER 56 HB1 SER 56 7.610 7.617 -3.597 375 HG SER 56 HG SER 56 8.093 9.385 -1.432 Start of MODEL 10 1 H1 GLY 9 HT1 GLY 9 16.723 9.399 -4.404 2 H2 GLY 9 HT2 GLY 9 17.993 8.384 -4.882 3 H3 GLY 9 HT3 GLY 9 17.478 8.389 -3.269 4 HA2 GLY 9 HA1 GLY 9 15.973 7.411 -5.631 5 HA3 GLY 9 HA2 GLY 9 16.630 6.436 -4.324 6 H SER 10 HN SER 10 14.302 8.997 -5.056 7 HA SER 10 HA SER 10 12.879 8.483 -2.574 8 HB2 SER 10 HB2 SER 10 12.242 10.407 -4.821 9 HB3 SER 10 HB1 SER 10 11.455 10.362 -3.241 10 HG SER 10 HG SER 10 13.615 10.730 -2.345 11 H LYS 11 HN LYS 11 12.905 7.322 -5.716 12 HA LYS 11 HA LYS 11 10.174 6.584 -5.955 13 HB2 LYS 11 HB2 LYS 11 10.982 4.966 -7.666 14 HB3 LYS 11 HB1 LYS 11 11.533 6.608 -7.948 15 HG2 LYS 11 HG2 LYS 11 13.728 6.058 -7.103 16 HG3 LYS 11 HG1 LYS 11 13.185 4.432 -6.681 17 HD2 LYS 11 HD2 LYS 11 14.408 4.363 -8.770 18 HD3 LYS 11 HD1 LYS 11 12.705 4.003 -9.063 19 HE2 LYS 11 HE2 LYS 11 12.376 6.375 -9.723 20 HE3 LYS 11 HE1 LYS 11 14.113 6.623 -9.560 21 HZ1 LYS 11 HZ1 LYS 11 14.388 4.803 -11.231 22 HZ2 LYS 11 HZ2 LYS 11 13.673 6.217 -11.830 23 HZ3 LYS 11 HZ3 LYS 11 12.711 4.861 -11.493 24 HA PRO 12 HA PRO 12 10.289 3.793 -2.642 25 HB2 PRO 12 HB2 PRO 12 7.800 3.081 -2.582 26 HB3 PRO 12 HB1 PRO 12 8.239 4.786 -2.418 27 HG2 PRO 12 HG2 PRO 12 7.494 3.291 -4.854 28 HG3 PRO 12 HG1 PRO 12 6.688 4.735 -4.217 29 HD2 PRO 12 HD2 PRO 12 8.528 4.951 -6.120 30 HD3 PRO 12 HD1 PRO 12 8.463 6.130 -4.792 31 H LYS 13 HN LYS 13 10.105 1.650 -2.008 32 HA LYS 13 HA LYS 13 10.151 -0.269 -4.210 33 HB2 LYS 13 HB2 LYS 13 11.706 -0.403 -1.631 34 HB3 LYS 13 HB1 LYS 13 11.749 -1.596 -2.916 35 HG2 LYS 13 HG2 LYS 13 12.604 1.264 -3.281 36 HG3 LYS 13 HG1 LYS 13 13.703 -0.040 -2.833 37 HD2 LYS 13 HD2 LYS 13 13.085 -1.240 -4.891 38 HD3 LYS 13 HD1 LYS 13 12.038 0.105 -5.344 39 HE2 LYS 13 HE2 LYS 13 15.013 0.296 -4.884 40 HE3 LYS 13 HE1 LYS 13 14.241 0.172 -6.463 41 HZ1 LYS 13 HZ1 LYS 13 14.777 2.456 -5.938 42 HZ2 LYS 13 HZ2 LYS 13 13.867 2.381 -4.515 43 HZ3 LYS 13 HZ3 LYS 13 13.098 2.260 -6.021 44 H THR 14 HN THR 14 9.552 -2.474 -3.533 45 HA THR 14 HA THR 14 7.209 -2.362 -1.822 46 HB THR 14 HB THR 14 6.951 -4.785 -2.711 47 HG1 THR 14 HG1 THR 14 8.953 -5.158 -3.594 48 HG21 THR 14 HG21 THR 14 6.810 -2.435 -4.606 49 HG22 THR 14 HG22 THR 14 5.560 -2.922 -3.462 50 HG23 THR 14 HG23 THR 14 5.972 -3.972 -4.818 51 H ILE 15 HN ILE 15 8.414 -2.141 0.100 52 HA ILE 15 HA ILE 15 10.195 -4.321 0.863 53 HB ILE 15 HB ILE 15 9.838 -1.791 2.419 54 HG12 ILE 15 HG12 ILE 15 11.514 -2.042 -0.078 55 HG13 ILE 15 HG11 ILE 15 9.985 -1.184 -0.006 56 HG21 ILE 15 HG21 ILE 15 12.226 -3.529 1.796 57 HG22 ILE 15 HG22 ILE 15 11.293 -3.545 3.294 58 HG23 ILE 15 HG23 ILE 15 12.228 -2.117 2.853 59 HD11 ILE 15 HD11 ILE 15 10.951 0.374 1.616 60 HD12 ILE 15 HD12 ILE 15 11.883 0.340 0.118 61 HD13 ILE 15 HD13 ILE 15 12.480 -0.502 1.547 62 H VAL 16 HN VAL 16 9.489 -5.782 2.301 63 HA VAL 16 HA VAL 16 7.012 -5.203 3.728 64 HB VAL 16 HB VAL 16 8.550 -7.797 3.546 65 HG11 VAL 16 HG11 VAL 16 6.491 -8.828 4.386 66 HG12 VAL 16 HG12 VAL 16 5.766 -7.232 4.561 67 HG13 VAL 16 HG13 VAL 16 7.160 -7.678 5.545 68 HG21 VAL 16 HG21 VAL 16 6.665 -8.465 2.033 69 HG22 VAL 16 HG22 VAL 16 7.800 -7.286 1.383 70 HG23 VAL 16 HG23 VAL 16 6.220 -6.759 1.963 71 H LEU 17 HN LEU 17 7.387 -4.067 5.522 72 HA LEU 17 HA LEU 17 9.554 -4.659 7.304 73 HB2 LEU 17 HB2 LEU 17 7.093 -2.955 7.598 74 HB3 LEU 17 HB1 LEU 17 8.335 -3.068 8.816 75 HG LEU 17 HG LEU 17 9.881 -2.290 6.913 76 HD11 LEU 17 HD11 LEU 17 8.760 -0.761 5.320 77 HD12 LEU 17 HD12 LEU 17 7.216 -1.434 5.845 78 HD13 LEU 17 HD13 LEU 17 8.405 -2.469 5.057 79 HD21 LEU 17 HD21 LEU 17 9.455 -0.985 8.890 80 HD22 LEU 17 HD22 LEU 17 7.908 -0.449 8.234 81 HD23 LEU 17 HD23 LEU 17 9.416 0.064 7.471 82 HA PRO 18 HA PRO 18 8.628 -7.961 9.833 83 HB2 PRO 18 HB2 PRO 18 7.322 -6.144 11.826 84 HB3 PRO 18 HB1 PRO 18 8.434 -7.490 12.093 85 HG2 PRO 18 HG2 PRO 18 9.196 -4.848 11.981 86 HG3 PRO 18 HG1 PRO 18 10.271 -6.218 11.660 87 HD2 PRO 18 HD2 PRO 18 9.370 -4.207 9.819 88 HD3 PRO 18 HD1 PRO 18 10.429 -5.592 9.495 89 HA PRO 19 HA PRO 19 4.071 -8.204 9.147 90 HB2 PRO 19 HB2 PRO 19 2.289 -7.332 10.992 91 HB3 PRO 19 HB1 PRO 19 3.330 -8.732 11.265 92 HG2 PRO 19 HG2 PRO 19 3.410 -6.121 12.550 93 HG3 PRO 19 HG1 PRO 19 4.276 -7.601 12.984 94 HD2 PRO 19 HD2 PRO 19 5.203 -5.289 11.411 95 HD3 PRO 19 HD1 PRO 19 6.152 -6.555 12.221 96 H ASN 20 HN ASN 20 4.039 -4.902 10.489 97 HA ASN 20 HA ASN 20 2.507 -4.004 8.194 98 HB2 ASN 20 HB2 ASN 20 2.127 -2.471 10.668 99 HB3 ASN 20 HB1 ASN 20 0.974 -2.925 9.461 100 HD21 ASN 20 HD21 ASN 20 1.170 -2.930 12.363 101 HD22 ASN 20 HD22 ASN 20 0.636 -4.488 12.812 102 H TRP 21 HN TRP 21 2.557 -1.302 9.366 103 HA TRP 21 HA TRP 21 3.780 0.581 9.087 104 HB2 TRP 21 HB2 TRP 21 5.146 -0.548 10.863 105 HB3 TRP 21 HB1 TRP 21 6.123 -1.219 9.575 106 HD1 TRP 21 HD1 TRP 21 8.076 0.089 11.108 107 HE1 TRP 21 HE1 TRP 21 9.026 2.457 10.801 108 HE3 TRP 21 HE3 TRP 21 4.290 2.160 8.340 109 HZ2 TRP 21 HZ2 TRP 21 8.284 4.871 9.562 110 HZ3 TRP 21 HZ3 TRP 21 4.500 4.507 7.643 111 HH2 TRP 21 HH2 TRP 21 6.455 5.830 8.243 112 H LYS 22 HN LYS 22 3.120 -1.226 6.993 113 HA LYS 22 HA LYS 22 5.055 -0.526 4.941 114 HB2 LYS 22 HB2 LYS 22 4.616 -2.996 4.128 115 HB3 LYS 22 HB1 LYS 22 5.945 -2.583 5.199 116 HG2 LYS 22 HG2 LYS 22 4.846 -3.383 7.047 117 HG3 LYS 22 HG1 LYS 22 3.273 -3.366 6.250 118 HD2 LYS 22 HD2 LYS 22 5.593 -5.189 5.550 119 HD3 LYS 22 HD1 LYS 22 4.194 -5.659 6.518 120 HE2 LYS 22 HE2 LYS 22 4.044 -4.663 3.677 121 HE3 LYS 22 HE1 LYS 22 4.081 -6.367 4.128 122 HZ1 LYS 22 HZ1 LYS 22 1.831 -5.505 3.735 123 HZ2 LYS 22 HZ2 LYS 22 2.015 -4.442 5.034 124 HZ3 LYS 22 HZ3 LYS 22 2.023 -6.115 5.303 125 H THR 23 HN THR 23 4.229 -1.656 2.798 126 HA THR 23 HA THR 23 1.504 -0.803 2.345 127 HB THR 23 HB THR 23 2.318 -0.220 0.077 128 HG1 THR 23 HG1 THR 23 4.191 -1.022 -0.505 129 HG21 THR 23 HG21 THR 23 3.459 1.004 2.529 130 HG22 THR 23 HG22 THR 23 2.314 1.674 1.364 131 HG23 THR 23 HG23 THR 23 4.031 1.583 0.964 132 H ALA 24 HN ALA 24 0.296 -2.221 1.228 133 HA ALA 24 HA ALA 24 1.438 -4.626 0.096 134 HB1 ALA 24 HB1 ALA 24 1.178 -5.995 1.793 135 HB2 ALA 24 HB2 ALA 24 -0.508 -5.514 1.892 136 HB3 ALA 24 HB3 ALA 24 0.702 -4.620 2.800 137 H ARG 25 HN ARG 25 -0.086 -5.923 -1.006 138 HA ARG 25 HA ARG 25 -2.698 -4.636 -1.311 139 HB2 ARG 25 HB2 ARG 25 -1.347 -6.253 -3.364 140 HB3 ARG 25 HB1 ARG 25 -2.897 -5.512 -3.536 141 HG2 ARG 25 HG2 ARG 25 -1.850 -3.315 -3.426 142 HG3 ARG 25 HG1 ARG 25 -0.262 -4.079 -3.282 143 HD2 ARG 25 HD2 ARG 25 -0.287 -4.855 -5.448 144 HD3 ARG 25 HD1 ARG 25 -2.050 -4.845 -5.540 145 HE ARG 25 HE ARG 25 -1.575 -2.251 -5.397 146 HH11 ARG 25 HH11 ARG 25 0.147 -4.677 -7.239 147 HH12 ARG 25 HH12 ARG 25 0.529 -3.593 -8.546 148 HH21 ARG 25 HH21 ARG 25 -1.085 -0.828 -7.107 149 HH22 ARG 25 HH22 ARG 25 -0.200 -1.406 -8.485 150 H ASP 26 HN ASP 26 -4.424 -5.800 -1.295 151 HA ASP 26 HA ASP 26 -4.462 -8.454 -0.232 152 HB2 ASP 26 HB2 ASP 26 -6.310 -6.635 -0.102 153 HB3 ASP 26 HB1 ASP 26 -6.707 -7.095 -1.752 154 HA PRO 27 HA PRO 27 -3.252 -10.885 -3.577 155 HB2 PRO 27 HB2 PRO 27 -5.453 -12.617 -3.896 156 HB3 PRO 27 HB1 PRO 27 -4.027 -12.877 -2.890 157 HG2 PRO 27 HG2 PRO 27 -6.710 -11.825 -2.136 158 HG3 PRO 27 HG1 PRO 27 -5.604 -12.858 -1.210 159 HD2 PRO 27 HD2 PRO 27 -5.861 -10.287 -0.603 160 HD3 PRO 27 HD1 PRO 27 -4.255 -11.051 -0.589 161 H GLU 28 HN GLU 28 -6.213 -9.171 -3.983 162 HA GLU 28 HA GLU 28 -6.600 -9.980 -6.728 163 HB2 GLU 28 HB2 GLU 28 -8.434 -8.275 -6.636 164 HB3 GLU 28 HB1 GLU 28 -8.569 -9.576 -5.460 165 HG2 GLU 28 HG2 GLU 28 -8.004 -8.206 -3.685 166 HG3 GLU 28 HG1 GLU 28 -7.269 -6.985 -4.726 167 H GLY 29 HN GLY 29 -4.563 -7.789 -5.182 168 HA2 GLY 29 HA2 GLY 29 -2.952 -6.599 -6.469 169 HA3 GLY 29 HA1 GLY 29 -4.138 -6.435 -7.755 170 H LYS 30 HN LYS 30 -5.463 -5.797 -4.695 171 HA LYS 30 HA LYS 30 -5.225 -2.908 -5.241 172 HB2 LYS 30 HB2 LYS 30 -7.304 -4.444 -3.670 173 HB3 LYS 30 HB1 LYS 30 -7.214 -2.689 -3.715 174 HG2 LYS 30 HG2 LYS 30 -7.488 -2.804 -6.186 175 HG3 LYS 30 HG1 LYS 30 -7.752 -4.542 -6.023 176 HD2 LYS 30 HD2 LYS 30 -9.874 -3.339 -6.149 177 HD3 LYS 30 HD1 LYS 30 -9.679 -4.117 -4.578 178 HE2 LYS 30 HE2 LYS 30 -10.572 -1.866 -4.316 179 HE3 LYS 30 HE1 LYS 30 -8.958 -1.987 -3.613 180 HZ1 LYS 30 HZ1 LYS 30 -9.160 0.039 -4.851 181 HZ2 LYS 30 HZ2 LYS 30 -9.653 -0.788 -6.243 182 HZ3 LYS 30 HZ3 LYS 30 -8.072 -0.976 -5.656 183 H ILE 31 HN ILE 31 -4.364 -1.591 -3.995 184 HA ILE 31 HA ILE 31 -2.534 -2.608 -2.029 185 HB ILE 31 HB ILE 31 -1.751 -1.055 -3.616 186 HG12 ILE 31 HG12 ILE 31 -0.907 0.804 -2.164 187 HG13 ILE 31 HG11 ILE 31 -2.050 0.303 -0.927 188 HG21 ILE 31 HG21 ILE 31 -2.619 1.230 -3.845 189 HG22 ILE 31 HG22 ILE 31 -3.896 0.842 -2.691 190 HG23 ILE 31 HG23 ILE 31 -3.825 0.007 -4.244 191 HD11 ILE 31 HD11 ILE 31 -0.784 -1.984 -1.316 192 HD12 ILE 31 HD12 ILE 31 -0.403 -0.727 -0.138 193 HD13 ILE 31 HD13 ILE 31 0.510 -0.814 -1.650 194 H TYR 32 HN TYR 32 -2.277 -1.901 0.031 195 HA TYR 32 HA TYR 32 -4.132 -0.164 1.310 196 HB2 TYR 32 HB2 TYR 32 -3.929 -3.090 2.086 197 HB3 TYR 32 HB1 TYR 32 -4.543 -1.855 3.175 198 HD1 TYR 32 HD2 TYR 32 -6.677 -0.715 2.673 199 HD2 TYR 32 HD1 TYR 32 -5.288 -3.978 0.324 200 HE1 TYR 32 HE2 TYR 32 -8.936 -1.003 1.750 201 HE2 TYR 32 HE1 TYR 32 -7.546 -4.280 -0.601 202 HH TYR 32 HH TYR 32 -9.761 -3.743 -0.273 203 H TYR 33 HN TYR 33 -3.347 0.123 3.628 204 HA TYR 33 HA TYR 33 -0.448 -0.190 3.640 205 HB2 TYR 33 HB2 TYR 33 -1.683 2.163 3.263 206 HB3 TYR 33 HB1 TYR 33 -1.704 2.136 5.005 207 HD1 TYR 33 HD2 TYR 33 0.631 1.550 6.102 208 HD2 TYR 33 HD1 TYR 33 0.142 3.186 2.208 209 HE1 TYR 33 HE2 TYR 33 2.941 2.373 6.167 210 HE2 TYR 33 HE1 TYR 33 2.460 4.012 2.263 211 HH TYR 33 HH TYR 33 4.692 3.060 4.739 212 H TYR 34 HN TYR 34 0.363 -0.442 5.726 213 HA TYR 34 HA TYR 34 -1.608 -0.788 7.882 214 HB2 TYR 34 HB2 TYR 34 0.681 -2.686 7.277 215 HB3 TYR 34 HB1 TYR 34 -0.390 -2.795 8.667 216 HD1 TYR 34 HD1 TYR 34 -2.677 -3.591 8.413 217 HD2 TYR 34 HD2 TYR 34 -0.055 -3.362 5.071 218 HE1 TYR 34 HE1 TYR 34 -4.215 -5.005 7.121 219 HE2 TYR 34 HE2 TYR 34 -1.587 -4.775 3.765 220 HH TYR 34 HH TYR 34 -3.359 -6.448 4.174 221 H HIS 35 HN HIS 35 -0.991 0.103 9.810 222 HA HIS 35 HA HIS 35 1.879 0.779 10.046 223 HB2 HIS 35 HB2 HIS 35 -0.555 2.325 10.805 224 HB3 HIS 35 HB1 HIS 35 0.835 2.435 11.876 225 HD1 HIS 35 HD1 HIS 35 1.401 4.860 11.324 226 HD2 HIS 35 HD2 HIS 35 1.245 2.415 7.962 227 HE1 HIS 35 HE1 HIS 35 2.385 6.216 9.452 228 HE2 HIS 35 HE2 HIS 35 2.196 4.763 7.407 229 H VAL 36 HN VAL 36 2.932 -0.263 11.513 230 HA VAL 36 HA VAL 36 1.909 -2.363 12.990 231 HB VAL 36 HB VAL 36 4.507 -0.872 13.128 232 HG11 VAL 36 HG11 VAL 36 5.376 -2.591 14.654 233 HG12 VAL 36 HG12 VAL 36 3.747 -3.241 14.838 234 HG13 VAL 36 HG13 VAL 36 4.118 -1.616 15.415 235 HG21 VAL 36 HG21 VAL 36 5.354 -2.643 11.934 236 HG22 VAL 36 HG22 VAL 36 3.686 -2.618 11.316 237 HG23 VAL 36 HG23 VAL 36 4.164 -3.776 12.569 238 H ILE 37 HN ILE 37 1.864 0.953 13.874 239 HA ILE 37 HA ILE 37 2.419 0.913 16.579 240 HB ILE 37 HB ILE 37 0.838 2.937 16.672 241 HG12 ILE 37 HG12 ILE 37 0.870 2.514 13.669 242 HG13 ILE 37 HG11 ILE 37 -0.541 2.220 14.685 243 HG21 ILE 37 HG21 ILE 37 3.247 3.124 16.451 244 HG22 ILE 37 HG22 ILE 37 2.450 4.318 15.426 245 HG23 ILE 37 HG23 ILE 37 3.127 2.856 14.712 246 HD11 ILE 37 HD11 ILE 37 0.841 4.872 14.306 247 HD12 ILE 37 HD12 ILE 37 -0.582 4.577 15.307 248 HD13 ILE 37 HD13 ILE 37 -0.677 4.370 13.558 249 H THR 38 HN THR 38 -0.856 0.755 15.170 250 HA THR 38 HA THR 38 -1.773 -0.488 17.651 251 HB THR 38 HB THR 38 -4.084 0.283 16.923 252 HG1 THR 38 HG1 THR 38 -4.221 1.854 15.383 253 HG21 THR 38 HG21 THR 38 -2.865 1.351 18.760 254 HG22 THR 38 HG22 THR 38 -3.801 2.533 17.844 255 HG23 THR 38 HG23 THR 38 -2.057 2.415 17.607 256 H ARG 39 HN ARG 39 -0.617 -1.248 14.895 257 HA ARG 39 HA ARG 39 -0.807 -2.882 13.334 258 HB2 ARG 39 HB2 ARG 39 -2.970 -4.051 15.085 259 HB3 ARG 39 HB1 ARG 39 -1.913 -4.905 13.960 260 HG2 ARG 39 HG2 ARG 39 -0.048 -4.663 15.334 261 HG3 ARG 39 HG1 ARG 39 -0.802 -3.362 16.273 262 HD2 ARG 39 HD2 ARG 39 -0.729 -5.421 17.566 263 HD3 ARG 39 HD1 ARG 39 -2.399 -5.005 17.188 264 HE ARG 39 HE ARG 39 -0.927 -7.002 15.592 265 HH11 ARG 39 HH11 ARG 39 -3.710 -6.043 17.488 266 HH12 ARG 39 HH12 ARG 39 -4.518 -7.571 17.299 267 HH21 ARG 39 HH21 ARG 39 -1.997 -8.985 15.309 268 HH22 ARG 39 HH22 ARG 39 -3.554 -9.249 16.045 269 H GLN 40 HN GLN 40 -2.031 -0.564 12.879 270 HA GLN 40 HA GLN 40 -4.795 -0.982 12.202 271 HB2 GLN 40 HB2 GLN 40 -4.706 1.483 11.673 272 HB3 GLN 40 HB1 GLN 40 -4.533 1.025 13.349 273 HG2 GLN 40 HG2 GLN 40 -2.683 2.226 13.407 274 HG3 GLN 40 HG1 GLN 40 -1.984 1.027 12.318 275 HE21 GLN 40 HE21 GLN 40 -3.908 1.714 10.251 276 HE22 GLN 40 HE22 GLN 40 -3.312 3.167 9.522 277 H THR 41 HN THR 41 -5.716 -0.393 10.440 278 HA THR 41 HA THR 41 -4.064 -0.252 8.016 279 HB THR 41 HB THR 41 -6.833 -1.369 7.934 280 HG1 THR 41 HG1 THR 41 -6.237 -3.249 8.766 281 HG21 THR 41 HG21 THR 41 -4.324 -1.421 6.355 282 HG22 THR 41 HG22 THR 41 -5.983 -1.108 5.814 283 HG23 THR 41 HG23 THR 41 -5.465 -2.761 6.168 284 H GLN 42 HN GLN 42 -4.969 1.099 6.330 285 HA GLN 42 HA GLN 42 -6.937 3.001 7.408 286 HB2 GLN 42 HB2 GLN 42 -4.843 3.620 5.321 287 HB3 GLN 42 HB1 GLN 42 -5.907 4.763 6.114 288 HG2 GLN 42 HG2 GLN 42 -3.992 5.148 7.278 289 HG3 GLN 42 HG1 GLN 42 -4.693 3.880 8.280 290 HE21 GLN 42 HE21 GLN 42 -4.022 2.051 5.930 291 HE22 GLN 42 HE22 GLN 42 -2.377 1.618 6.205 292 H TRP 43 HN TRP 43 -8.273 4.006 5.850 293 HA TRP 43 HA TRP 43 -9.329 2.022 3.997 294 HB2 TRP 43 HB2 TRP 43 -10.499 3.747 5.722 295 HB3 TRP 43 HB1 TRP 43 -10.581 4.688 4.247 296 HD1 TRP 43 HD1 TRP 43 -13.119 4.512 3.755 297 HE1 TRP 43 HE1 TRP 43 -14.717 2.578 3.170 298 HE3 TRP 43 HE3 TRP 43 -10.019 0.566 4.759 299 HZ2 TRP 43 HZ2 TRP 43 -14.662 -0.239 3.130 300 HZ3 TRP 43 HZ3 TRP 43 -10.875 -1.717 4.419 301 HH2 TRP 43 HH2 TRP 43 -13.147 -2.109 3.623 302 H ASP 44 HN ASP 44 -7.392 4.704 4.104 303 HA ASP 44 HA ASP 44 -7.750 5.461 1.305 304 HB2 ASP 44 HB2 ASP 44 -7.372 7.139 3.198 305 HB3 ASP 44 HB1 ASP 44 -5.712 6.557 3.245 306 HA PRO 45 HA PRO 45 -4.406 2.484 0.531 307 HB2 PRO 45 HB2 PRO 45 -5.288 2.436 -2.208 308 HB3 PRO 45 HB1 PRO 45 -5.471 1.181 -0.982 309 HG2 PRO 45 HG2 PRO 45 -7.560 2.601 -2.062 310 HG3 PRO 45 HG1 PRO 45 -7.597 1.824 -0.470 311 HD2 PRO 45 HD2 PRO 45 -7.120 4.699 -1.164 312 HD3 PRO 45 HD1 PRO 45 -8.063 4.001 0.171 313 HA PRO 46 HA PRO 46 -2.195 6.047 -1.162 314 HB2 PRO 46 HB2 PRO 46 0.100 5.229 0.366 315 HB3 PRO 46 HB1 PRO 46 -0.987 6.591 0.654 316 HG2 PRO 46 HG2 PRO 46 -0.824 4.411 2.294 317 HG3 PRO 46 HG1 PRO 46 -2.279 5.407 2.123 318 HD2 PRO 46 HD2 PRO 46 -1.619 2.789 0.805 319 HD3 PRO 46 HD1 PRO 46 -3.141 3.311 1.568 320 H THR 47 HN THR 47 -0.294 2.927 -0.776 321 HA THR 47 HA THR 47 0.874 3.320 -3.351 322 HB THR 47 HB THR 47 3.211 3.432 -1.991 323 HG1 THR 47 HG1 THR 47 2.728 5.327 -0.485 324 HG21 THR 47 HG21 THR 47 2.606 4.821 -3.906 325 HG22 THR 47 HG22 THR 47 3.339 5.795 -2.629 326 HG23 THR 47 HG23 THR 47 1.591 5.826 -2.870 327 H TRP 48 HN TRP 48 1.424 1.562 -4.058 328 HA TRP 48 HA TRP 48 1.407 -0.875 -2.629 329 HB2 TRP 48 HB2 TRP 48 0.775 -0.672 -4.951 330 HB3 TRP 48 HB1 TRP 48 2.367 -0.084 -5.346 331 HD1 TRP 48 HD1 TRP 48 1.252 -3.278 -3.438 332 HE1 TRP 48 HE1 TRP 48 2.421 -5.300 -4.518 333 HE3 TRP 48 HE3 TRP 48 3.780 -0.850 -7.160 334 HZ2 TRP 48 HZ2 TRP 48 4.192 -5.793 -6.660 335 HZ3 TRP 48 HZ3 TRP 48 5.192 -2.172 -8.678 336 HH2 TRP 48 HH2 TRP 48 5.394 -4.589 -8.432 337 H GLU 49 HN GLU 49 3.602 1.548 -3.254 338 HA GLU 49 HA GLU 49 5.866 -0.090 -2.504 339 HB2 GLU 49 HB2 GLU 49 6.749 2.285 -3.736 340 HB3 GLU 49 HB1 GLU 49 6.904 0.629 -4.245 341 HG2 GLU 49 HG2 GLU 49 5.951 1.735 -6.071 342 HG3 GLU 49 HG1 GLU 49 4.693 0.750 -5.339 343 H SER 50 HN SER 50 7.654 1.874 -1.898 344 HA SER 50 HA SER 50 6.611 3.509 0.169 345 HB2 SER 50 HB2 SER 50 6.019 1.382 1.177 346 HB3 SER 50 HB1 SER 50 7.662 0.789 0.937 347 HG SER 50 HG SER 50 6.632 2.412 2.905 348 HA PRO 51 HA PRO 51 10.991 4.591 -0.040 349 HB2 PRO 51 HB2 PRO 51 10.687 7.162 0.262 350 HB3 PRO 51 HB1 PRO 51 10.160 6.432 -1.266 351 HG2 PRO 51 HG2 PRO 51 8.534 7.098 1.163 352 HG3 PRO 51 HG1 PRO 51 8.206 7.553 -0.520 353 HD2 PRO 51 HD2 PRO 51 7.065 5.411 0.706 354 HD3 PRO 51 HD1 PRO 51 7.408 5.455 -1.027 355 H GLY 52 HN GLY 52 9.173 3.751 2.212 356 HA2 GLY 52 HA2 GLY 52 9.357 3.698 4.538 357 HA3 GLY 52 HA1 GLY 52 10.408 5.101 4.437 358 H ASP 53 HN ASP 53 9.383 7.098 3.611 359 HA ASP 53 HA ASP 53 6.678 7.463 3.166 360 HB2 ASP 53 HB2 ASP 53 6.453 6.974 5.623 361 HB3 ASP 53 HB1 ASP 53 7.452 8.387 5.949 362 H ASP 54 HN ASP 54 7.737 8.601 1.518 363 HA ASP 54 HA ASP 54 8.683 11.256 2.163 364 HB2 ASP 54 HB2 ASP 54 10.630 9.631 2.432 365 HB3 ASP 54 HB1 ASP 54 10.501 9.403 0.700 366 H ALA 55 HN ALA 55 6.931 11.841 0.863 367 HA ALA 55 HA ALA 55 6.057 12.749 -1.026 368 HB1 ALA 55 HB1 ALA 55 8.549 11.746 -2.390 369 HB2 ALA 55 HB2 ALA 55 8.310 13.347 -1.690 370 HB3 ALA 55 HB3 ALA 55 7.362 12.846 -3.091 371 H SER 56 HN SER 56 7.415 9.534 -1.477 372 HA SER 56 HA SER 56 5.301 8.748 -3.285 373 HB2 SER 56 HB2 SER 56 7.505 7.116 -1.986 374 HB3 SER 56 HB1 SER 56 6.465 6.571 -3.303 375 HG SER 56 HG SER 56 8.749 7.812 -3.535 Start of MODEL 11 1 H1 GLY 9 HT1 GLY 9 12.985 8.771 -8.873 2 H2 GLY 9 HT2 GLY 9 14.654 8.901 -8.616 3 H3 GLY 9 HT3 GLY 9 13.888 9.909 -9.743 4 HA2 GLY 9 HA1 GLY 9 14.374 11.131 -7.731 5 HA3 GLY 9 HA2 GLY 9 12.643 10.992 -7.993 6 H SER 10 HN SER 10 11.412 9.660 -6.652 7 HA SER 10 HA SER 10 12.806 8.530 -4.325 8 HB2 SER 10 HB2 SER 10 10.288 10.193 -4.104 9 HB3 SER 10 HB1 SER 10 11.243 9.531 -2.783 10 HG SER 10 HG SER 10 11.453 11.893 -3.769 11 H LYS 11 HN LYS 11 11.900 7.003 -6.454 12 HA LYS 11 HA LYS 11 9.187 6.172 -5.872 13 HB2 LYS 11 HB2 LYS 11 10.613 6.161 -8.173 14 HB3 LYS 11 HB1 LYS 11 10.862 4.501 -7.647 15 HG2 LYS 11 HG2 LYS 11 8.968 4.543 -9.092 16 HG3 LYS 11 HG1 LYS 11 8.387 4.265 -7.449 17 HD2 LYS 11 HD2 LYS 11 7.849 6.654 -7.249 18 HD3 LYS 11 HD1 LYS 11 8.397 6.910 -8.906 19 HE2 LYS 11 HE2 LYS 11 6.046 6.748 -9.015 20 HE3 LYS 11 HE1 LYS 11 6.666 5.206 -9.606 21 HZ1 LYS 11 HZ1 LYS 11 5.553 5.761 -6.906 22 HZ2 LYS 11 HZ2 LYS 11 6.269 4.287 -7.360 23 HZ3 LYS 11 HZ3 LYS 11 4.848 4.807 -8.124 24 HA PRO 12 HA PRO 12 10.578 3.380 -2.746 25 HB2 PRO 12 HB2 PRO 12 8.171 2.437 -2.075 26 HB3 PRO 12 HB1 PRO 12 8.737 4.052 -1.628 27 HG2 PRO 12 HG2 PRO 12 7.050 3.232 -3.945 28 HG3 PRO 12 HG1 PRO 12 6.742 4.525 -2.779 29 HD2 PRO 12 HD2 PRO 12 7.767 5.058 -5.155 30 HD3 PRO 12 HD1 PRO 12 8.347 5.905 -3.704 31 H LYS 13 HN LYS 13 11.030 1.329 -2.455 32 HA LYS 13 HA LYS 13 10.080 -0.609 -4.389 33 HB2 LYS 13 HB2 LYS 13 12.044 -1.939 -3.814 34 HB3 LYS 13 HB1 LYS 13 12.479 -0.336 -4.365 35 HG2 LYS 13 HG2 LYS 13 12.582 0.300 -1.913 36 HG3 LYS 13 HG1 LYS 13 12.565 -1.435 -1.597 37 HD2 LYS 13 HD2 LYS 13 14.606 0.101 -3.204 38 HD3 LYS 13 HD1 LYS 13 14.846 -0.653 -1.629 39 HE2 LYS 13 HE2 LYS 13 14.274 -2.066 -4.229 40 HE3 LYS 13 HE1 LYS 13 15.819 -2.014 -3.382 41 HZ1 LYS 13 HZ1 LYS 13 14.977 -4.027 -2.734 42 HZ2 LYS 13 HZ2 LYS 13 13.371 -3.493 -2.695 43 HZ3 LYS 13 HZ3 LYS 13 14.443 -3.047 -1.457 44 H THR 14 HN THR 14 10.062 -2.871 -3.381 45 HA THR 14 HA THR 14 7.933 -2.675 -1.441 46 HB THR 14 HB THR 14 7.733 -5.180 -1.903 47 HG1 THR 14 HG1 THR 14 9.888 -5.410 -2.744 48 HG21 THR 14 HG21 THR 14 7.469 -3.250 -4.212 49 HG22 THR 14 HG22 THR 14 6.267 -3.534 -2.953 50 HG23 THR 14 HG23 THR 14 6.671 -4.818 -4.092 51 H ILE 15 HN ILE 15 9.075 -2.163 0.403 52 HA ILE 15 HA ILE 15 11.063 -4.040 1.405 53 HB ILE 15 HB ILE 15 10.355 -1.362 2.565 54 HG12 ILE 15 HG12 ILE 15 12.244 -1.884 0.280 55 HG13 ILE 15 HG11 ILE 15 10.655 -1.180 0.081 56 HG21 ILE 15 HG21 ILE 15 11.871 -2.781 3.850 57 HG22 ILE 15 HG22 ILE 15 12.727 -1.376 3.213 58 HG23 ILE 15 HG23 ILE 15 12.921 -2.951 2.442 59 HD11 ILE 15 HD11 ILE 15 12.389 0.530 0.056 60 HD12 ILE 15 HD12 ILE 15 12.952 0.018 1.648 61 HD13 ILE 15 HD13 ILE 15 11.347 0.727 1.465 62 H VAL 16 HN VAL 16 10.187 -5.573 2.678 63 HA VAL 16 HA VAL 16 7.669 -5.130 3.987 64 HB VAL 16 HB VAL 16 9.569 -7.457 4.313 65 HG11 VAL 16 HG11 VAL 16 6.621 -7.211 4.896 66 HG12 VAL 16 HG12 VAL 16 7.913 -7.316 6.090 67 HG13 VAL 16 HG13 VAL 16 7.574 -8.688 5.035 68 HG21 VAL 16 HG21 VAL 16 8.063 -8.601 2.689 69 HG22 VAL 16 HG22 VAL 16 9.049 -7.307 2.014 70 HG23 VAL 16 HG23 VAL 16 7.341 -7.027 2.348 71 H LEU 17 HN LEU 17 7.732 -3.716 5.656 72 HA LEU 17 HA LEU 17 9.748 -3.926 7.692 73 HB2 LEU 17 HB2 LEU 17 7.121 -2.464 7.563 74 HB3 LEU 17 HB1 LEU 17 8.180 -2.399 8.952 75 HG LEU 17 HG LEU 17 9.753 -1.752 6.722 76 HD11 LEU 17 HD11 LEU 17 7.147 -0.250 6.723 77 HD12 LEU 17 HD12 LEU 17 7.739 -1.313 5.448 78 HD13 LEU 17 HD13 LEU 17 8.586 0.190 5.806 79 HD21 LEU 17 HD21 LEU 17 10.056 -0.922 8.989 80 HD22 LEU 17 HD22 LEU 17 8.559 0.004 8.858 81 HD23 LEU 17 HD23 LEU 17 9.942 0.410 7.838 82 HA PRO 18 HA PRO 18 9.056 -7.457 9.813 83 HB2 PRO 18 HB2 PRO 18 7.907 -5.888 12.095 84 HB3 PRO 18 HB1 PRO 18 9.049 -7.235 12.123 85 HG2 PRO 18 HG2 PRO 18 9.835 -4.643 12.268 86 HG3 PRO 18 HG1 PRO 18 10.829 -5.913 11.539 87 HD2 PRO 18 HD2 PRO 18 9.508 -3.656 10.258 88 HD3 PRO 18 HD1 PRO 18 10.694 -4.786 9.579 89 HA PRO 19 HA PRO 19 4.476 -7.884 9.678 90 HB2 PRO 19 HB2 PRO 19 2.843 -6.919 11.594 91 HB3 PRO 19 HB1 PRO 19 4.020 -8.191 11.933 92 HG2 PRO 19 HG2 PRO 19 4.022 -5.390 12.800 93 HG3 PRO 19 HG1 PRO 19 4.964 -6.753 13.423 94 HD2 PRO 19 HD2 PRO 19 5.743 -4.700 11.476 95 HD3 PRO 19 HD1 PRO 19 6.765 -5.859 12.354 96 H ASN 20 HN ASN 20 4.225 -4.509 10.820 97 HA ASN 20 HA ASN 20 2.646 -3.893 8.458 98 HB2 ASN 20 HB2 ASN 20 2.281 -2.154 10.817 99 HB3 ASN 20 HB1 ASN 20 1.119 -2.714 9.659 100 HD21 ASN 20 HD21 ASN 20 1.223 -2.491 12.504 101 HD22 ASN 20 HD22 ASN 20 0.758 -4.024 13.082 102 H TRP 21 HN TRP 21 2.768 -1.019 9.503 103 HA TRP 21 HA TRP 21 3.947 0.817 9.074 104 HB2 TRP 21 HB2 TRP 21 6.021 -1.204 9.375 105 HB3 TRP 21 HB1 TRP 21 6.420 0.176 8.422 106 HD1 TRP 21 HD1 TRP 21 5.206 2.529 10.076 107 HE1 TRP 21 HE1 TRP 21 6.204 3.144 12.378 108 HE3 TRP 21 HE3 TRP 21 7.527 -1.895 11.159 109 HZ2 TRP 21 HZ2 TRP 21 7.765 1.906 14.377 110 HZ3 TRP 21 HZ3 TRP 21 8.759 -2.094 13.280 111 HH2 TRP 21 HH2 TRP 21 8.874 -0.231 14.853 112 H LYS 22 HN LYS 22 3.283 -1.614 7.201 113 HA LYS 22 HA LYS 22 4.699 -0.709 4.780 114 HB2 LYS 22 HB2 LYS 22 4.342 -3.244 4.174 115 HB3 LYS 22 HB1 LYS 22 5.740 -2.692 5.084 116 HG2 LYS 22 HG2 LYS 22 4.980 -3.543 7.014 117 HG3 LYS 22 HG1 LYS 22 3.286 -3.423 6.546 118 HD2 LYS 22 HD2 LYS 22 5.224 -5.366 5.277 119 HD3 LYS 22 HD1 LYS 22 4.259 -5.778 6.695 120 HE2 LYS 22 HE2 LYS 22 2.214 -5.250 5.387 121 HE3 LYS 22 HE1 LYS 22 3.230 -4.972 3.974 122 HZ1 LYS 22 HZ1 LYS 22 2.200 -7.227 4.100 123 HZ2 LYS 22 HZ2 LYS 22 3.165 -7.548 5.460 124 HZ3 LYS 22 HZ3 LYS 22 3.889 -7.241 3.957 125 H THR 23 HN THR 23 3.728 -1.857 2.789 126 HA THR 23 HA THR 23 0.834 -1.750 2.751 127 HB THR 23 HB THR 23 0.999 -0.827 0.490 128 HG1 THR 23 HG1 THR 23 3.749 -0.298 0.854 129 HG21 THR 23 HG21 THR 23 2.533 0.722 2.564 130 HG22 THR 23 HG22 THR 23 0.790 0.773 2.281 131 HG23 THR 23 HG23 THR 23 1.900 1.417 1.070 132 H ALA 24 HN ALA 24 -0.045 -3.175 1.423 133 HA ALA 24 HA ALA 24 1.478 -4.858 -0.364 134 HB1 ALA 24 HB1 ALA 24 1.464 -6.683 0.879 135 HB2 ALA 24 HB2 ALA 24 -0.285 -6.550 1.010 136 HB3 ALA 24 HB3 ALA 24 0.743 -5.761 2.202 137 H ARG 25 HN ARG 25 0.011 -6.112 -1.801 138 HA ARG 25 HA ARG 25 -2.658 -4.937 -1.813 139 HB2 ARG 25 HB2 ARG 25 -2.905 -5.861 -4.119 140 HB3 ARG 25 HB1 ARG 25 -1.699 -4.618 -3.931 141 HG2 ARG 25 HG2 ARG 25 0.054 -6.054 -4.320 142 HG3 ARG 25 HG1 ARG 25 -0.870 -7.467 -3.789 143 HD2 ARG 25 HD2 ARG 25 -2.155 -7.491 -5.751 144 HD3 ARG 25 HD1 ARG 25 -1.626 -5.885 -6.212 145 HE ARG 25 HE ARG 25 0.417 -7.965 -6.081 146 HH11 ARG 25 HH11 ARG 25 -1.647 -5.930 -8.033 147 HH12 ARG 25 HH12 ARG 25 -0.934 -6.408 -9.546 148 HH21 ARG 25 HH21 ARG 25 1.407 -8.579 -8.070 149 HH22 ARG 25 HH22 ARG 25 0.802 -7.919 -9.562 150 H ASP 26 HN ASP 26 -4.375 -6.018 -1.751 151 HA ASP 26 HA ASP 26 -4.404 -8.773 -0.898 152 HB2 ASP 26 HB2 ASP 26 -6.158 -6.741 -0.562 153 HB3 ASP 26 HB1 ASP 26 -6.855 -7.463 -2.006 154 HA PRO 27 HA PRO 27 -3.864 -10.914 -4.600 155 HB2 PRO 27 HB2 PRO 27 -6.250 -12.398 -4.824 156 HB3 PRO 27 HB1 PRO 27 -4.747 -12.897 -4.046 157 HG2 PRO 27 HG2 PRO 27 -7.212 -11.739 -2.845 158 HG3 PRO 27 HG1 PRO 27 -6.092 -12.943 -2.179 159 HD2 PRO 27 HD2 PRO 27 -6.068 -10.435 -1.296 160 HD3 PRO 27 HD1 PRO 27 -4.547 -11.323 -1.532 161 H GLU 28 HN GLU 28 -6.664 -8.905 -4.475 162 HA GLU 28 HA GLU 28 -7.372 -9.293 -7.248 163 HB2 GLU 28 HB2 GLU 28 -8.887 -7.298 -6.731 164 HB3 GLU 28 HB1 GLU 28 -9.207 -8.802 -5.875 165 HG2 GLU 28 HG2 GLU 28 -8.211 -7.980 -3.884 166 HG3 GLU 28 HG1 GLU 28 -7.563 -6.563 -4.712 167 H GLY 29 HN GLY 29 -5.046 -7.493 -5.548 168 HA2 GLY 29 HA2 GLY 29 -3.343 -6.324 -6.724 169 HA3 GLY 29 HA1 GLY 29 -4.506 -5.954 -7.994 170 H LYS 30 HN LYS 30 -5.729 -5.474 -4.858 171 HA LYS 30 HA LYS 30 -5.331 -2.576 -5.195 172 HB2 LYS 30 HB2 LYS 30 -7.428 -4.142 -3.703 173 HB3 LYS 30 HB1 LYS 30 -7.175 -2.426 -3.420 174 HG2 LYS 30 HG2 LYS 30 -7.359 -2.673 -6.185 175 HG3 LYS 30 HG1 LYS 30 -8.606 -3.746 -5.541 176 HD2 LYS 30 HD2 LYS 30 -8.229 -0.836 -4.824 177 HD3 LYS 30 HD1 LYS 30 -9.464 -1.478 -5.909 178 HE2 LYS 30 HE2 LYS 30 -9.180 -2.241 -3.003 179 HE3 LYS 30 HE1 LYS 30 -10.277 -0.994 -3.598 180 HZ1 LYS 30 HZ1 LYS 30 -10.344 -3.866 -4.375 181 HZ2 LYS 30 HZ2 LYS 30 -11.418 -2.661 -4.911 182 HZ3 LYS 30 HZ3 LYS 30 -11.399 -3.115 -3.278 183 H ILE 31 HN ILE 31 -4.408 -1.351 -3.755 184 HA ILE 31 HA ILE 31 -2.612 -2.746 -1.961 185 HB ILE 31 HB ILE 31 -1.884 -1.057 -3.629 186 HG12 ILE 31 HG12 ILE 31 -0.712 -1.745 -1.379 187 HG13 ILE 31 HG11 ILE 31 -0.057 -0.459 -2.365 188 HG21 ILE 31 HG21 ILE 31 -3.162 0.887 -1.738 189 HG22 ILE 31 HG22 ILE 31 -3.611 0.582 -3.416 190 HG23 ILE 31 HG23 ILE 31 -2.056 1.321 -3.042 191 HD11 ILE 31 HD11 ILE 31 -0.033 0.134 -0.033 192 HD12 ILE 31 HD12 ILE 31 -1.769 -0.124 0.038 193 HD13 ILE 31 HD13 ILE 31 -1.124 1.189 -0.933 194 H TYR 32 HN TYR 32 -2.248 -2.223 0.139 195 HA TYR 32 HA TYR 32 -4.246 -0.708 1.605 196 HB2 TYR 32 HB2 TYR 32 -3.723 -3.667 2.050 197 HB3 TYR 32 HB1 TYR 32 -4.537 -2.630 3.216 198 HD1 TYR 32 HD2 TYR 32 -6.758 -1.619 2.603 199 HD2 TYR 32 HD1 TYR 32 -4.896 -4.623 0.234 200 HE1 TYR 32 HE2 TYR 32 -8.911 -2.081 1.503 201 HE2 TYR 32 HE1 TYR 32 -7.040 -5.086 -0.876 202 HH TYR 32 HH TYR 32 -9.427 -4.820 -0.463 203 H TYR 33 HN TYR 33 -3.399 -0.129 3.672 204 HA TYR 33 HA TYR 33 -0.593 -0.787 3.938 205 HB2 TYR 33 HB2 TYR 33 -0.596 1.402 3.085 206 HB3 TYR 33 HB1 TYR 33 -1.896 1.933 4.131 207 HD1 TYR 33 HD1 TYR 33 1.678 1.062 3.942 208 HD2 TYR 33 HD2 TYR 33 -1.366 2.820 6.319 209 HE1 TYR 33 HE1 TYR 33 3.390 1.988 5.425 210 HE2 TYR 33 HE2 TYR 33 0.342 3.753 7.824 211 HH TYR 33 HH TYR 33 3.693 3.727 7.012 212 H TYR 34 HN TYR 34 0.155 -0.768 5.990 213 HA TYR 34 HA TYR 34 -1.829 -0.768 8.173 214 HB2 TYR 34 HB2 TYR 34 0.258 -2.913 7.642 215 HB3 TYR 34 HB1 TYR 34 -0.637 -2.766 9.146 216 HD1 TYR 34 HD2 TYR 34 -1.030 -3.421 5.512 217 HD2 TYR 34 HD1 TYR 34 -2.760 -3.733 9.385 218 HE1 TYR 34 HE2 TYR 34 -2.796 -4.865 4.598 219 HE2 TYR 34 HE1 TYR 34 -4.529 -5.187 8.485 220 HH TYR 34 HH TYR 34 -4.368 -6.614 5.433 221 H HIS 35 HN HIS 35 -1.090 0.179 10.024 222 HA HIS 35 HA HIS 35 1.770 0.917 9.969 223 HB2 HIS 35 HB2 HIS 35 0.032 2.768 9.701 224 HB3 HIS 35 HB1 HIS 35 -0.460 2.445 11.355 225 HD1 HIS 35 HD1 HIS 35 0.246 4.581 12.424 226 HD2 HIS 35 HD2 HIS 35 3.292 2.858 10.183 227 HE1 HIS 35 HE1 HIS 35 2.300 5.948 12.913 228 HE2 HIS 35 HE2 HIS 35 4.071 5.024 11.378 229 H VAL 36 HN VAL 36 2.947 0.075 11.511 230 HA VAL 36 HA VAL 36 2.125 -2.026 13.033 231 HB VAL 36 HB VAL 36 4.586 -0.372 13.026 232 HG11 VAL 36 HG11 VAL 36 4.358 -0.881 15.400 233 HG12 VAL 36 HG12 VAL 36 5.638 -1.862 14.685 234 HG13 VAL 36 HG13 VAL 36 4.062 -2.578 15.023 235 HG21 VAL 36 HG21 VAL 36 5.509 -2.222 12.013 236 HG22 VAL 36 HG22 VAL 36 3.828 -2.320 11.450 237 HG23 VAL 36 HG23 VAL 36 4.385 -3.335 12.790 238 H ILE 37 HN ILE 37 1.782 1.250 14.088 239 HA ILE 37 HA ILE 37 2.459 1.053 16.771 240 HB ILE 37 HB ILE 37 0.731 2.910 17.124 241 HG12 ILE 37 HG12 ILE 37 0.630 2.797 14.102 242 HG13 ILE 37 HG11 ILE 37 -0.684 2.274 15.154 243 HG21 ILE 37 HG21 ILE 37 2.150 4.557 16.002 244 HG22 ILE 37 HG22 ILE 37 2.901 3.265 15.066 245 HG23 ILE 37 HG23 ILE 37 3.105 3.317 16.818 246 HD11 ILE 37 HD11 ILE 37 -0.892 4.543 16.024 247 HD12 ILE 37 HD12 ILE 37 -1.069 4.510 14.269 248 HD13 ILE 37 HD13 ILE 37 0.441 5.065 14.993 249 H THR 38 HN THR 38 -0.827 0.720 15.442 250 HA THR 38 HA THR 38 -1.578 -0.761 17.849 251 HB THR 38 HB THR 38 -3.971 -0.109 17.100 252 HG1 THR 38 HG1 THR 38 -4.094 1.750 15.851 253 HG21 THR 38 HG21 THR 38 -2.111 2.003 18.198 254 HG22 THR 38 HG22 THR 38 -2.901 0.737 19.137 255 HG23 THR 38 HG23 THR 38 -3.869 1.988 18.358 256 H ARG 39 HN ARG 39 -0.495 -1.216 14.948 257 HA ARG 39 HA ARG 39 -0.652 -2.738 13.269 258 HB2 ARG 39 HB2 ARG 39 -2.695 -4.209 14.935 259 HB3 ARG 39 HB1 ARG 39 -1.576 -4.872 13.744 260 HG2 ARG 39 HG2 ARG 39 0.255 -4.661 15.156 261 HG3 ARG 39 HG1 ARG 39 -0.562 -3.467 16.182 262 HD2 ARG 39 HD2 ARG 39 -2.141 -5.295 16.865 263 HD3 ARG 39 HD1 ARG 39 -1.127 -6.433 15.980 264 HE ARG 39 HE ARG 39 0.671 -5.343 17.596 265 HH11 ARG 39 HH11 ARG 39 -2.581 -6.478 18.269 266 HH12 ARG 39 HH12 ARG 39 -2.223 -6.923 19.914 267 HH21 ARG 39 HH21 ARG 39 1.137 -5.915 19.764 268 HH22 ARG 39 HH22 ARG 39 -0.104 -6.625 20.753 269 H GLN 40 HN GLN 40 -2.225 -0.442 13.436 270 HA GLN 40 HA GLN 40 -4.891 -0.896 12.666 271 HB2 GLN 40 HB2 GLN 40 -4.755 1.589 12.082 272 HB3 GLN 40 HB1 GLN 40 -4.637 1.120 13.764 273 HG2 GLN 40 HG2 GLN 40 -2.736 2.248 13.880 274 HG3 GLN 40 HG1 GLN 40 -2.057 1.066 12.755 275 HE21 GLN 40 HE21 GLN 40 -4.008 1.878 10.744 276 HE22 GLN 40 HE22 GLN 40 -3.330 3.288 10.013 277 H THR 41 HN THR 41 -5.898 -0.246 10.901 278 HA THR 41 HA THR 41 -4.309 -0.267 8.428 279 HB THR 41 HB THR 41 -7.077 -1.383 8.484 280 HG1 THR 41 HG1 THR 41 -4.976 -2.386 9.870 281 HG21 THR 41 HG21 THR 41 -4.591 -1.602 6.847 282 HG22 THR 41 HG22 THR 41 -6.236 -1.210 6.319 283 HG23 THR 41 HG23 THR 41 -5.813 -2.872 6.753 284 H GLN 42 HN GLN 42 -5.169 0.966 6.708 285 HA GLN 42 HA GLN 42 -7.224 2.909 7.489 286 HB2 GLN 42 HB2 GLN 42 -5.064 3.607 5.529 287 HB3 GLN 42 HB1 GLN 42 -6.032 4.678 6.523 288 HG2 GLN 42 HG2 GLN 42 -3.820 4.792 7.333 289 HG3 GLN 42 HG1 GLN 42 -4.740 3.845 8.504 290 HE21 GLN 42 HE21 GLN 42 -3.852 2.476 5.463 291 HE22 GLN 42 HE22 GLN 42 -2.688 1.351 6.093 292 H TRP 43 HN TRP 43 -8.447 3.742 5.739 293 HA TRP 43 HA TRP 43 -8.889 1.826 3.609 294 HB2 TRP 43 HB2 TRP 43 -10.310 4.145 4.763 295 HB3 TRP 43 HB1 TRP 43 -10.563 3.846 3.052 296 HD1 TRP 43 HD1 TRP 43 -11.578 2.659 6.445 297 HE1 TRP 43 HE1 TRP 43 -13.172 0.647 6.249 298 HE3 TRP 43 HE3 TRP 43 -10.999 1.668 1.473 299 HZ2 TRP 43 HZ2 TRP 43 -14.068 -1.125 4.238 300 HZ3 TRP 43 HZ3 TRP 43 -12.257 -0.204 0.488 301 HH2 TRP 43 HH2 TRP 43 -13.758 -1.570 1.842 302 H ASP 44 HN ASP 44 -7.190 4.649 4.150 303 HA ASP 44 HA ASP 44 -7.033 5.562 1.422 304 HB2 ASP 44 HB2 ASP 44 -6.790 7.195 3.197 305 HB3 ASP 44 HB1 ASP 44 -5.429 6.312 3.877 306 HA PRO 45 HA PRO 45 -3.776 2.556 0.664 307 HB2 PRO 45 HB2 PRO 45 -4.482 2.272 -1.987 308 HB3 PRO 45 HB1 PRO 45 -5.216 1.381 -0.654 309 HG2 PRO 45 HG2 PRO 45 -6.433 3.355 -2.338 310 HG3 PRO 45 HG1 PRO 45 -7.163 2.463 -0.995 311 HD2 PRO 45 HD2 PRO 45 -6.038 5.198 -1.049 312 HD3 PRO 45 HD1 PRO 45 -7.261 4.495 0.031 313 HA PRO 46 HA PRO 46 -1.224 5.942 -0.946 314 HB2 PRO 46 HB2 PRO 46 1.039 4.452 0.100 315 HB3 PRO 46 HB1 PRO 46 0.402 6.015 0.614 316 HG2 PRO 46 HG2 PRO 46 0.221 3.765 2.136 317 HG3 PRO 46 HG1 PRO 46 -0.958 5.086 2.209 318 HD2 PRO 46 HD2 PRO 46 -1.145 2.450 0.804 319 HD3 PRO 46 HD1 PRO 46 -2.390 3.337 1.710 320 H THR 47 HN THR 47 0.240 2.653 -1.061 321 HA THR 47 HA THR 47 0.796 2.521 -3.783 322 HB THR 47 HB THR 47 3.395 3.004 -3.350 323 HG1 THR 47 HG1 THR 47 3.068 5.303 -2.222 324 HG21 THR 47 HG21 THR 47 1.978 3.955 -5.149 325 HG22 THR 47 HG22 THR 47 3.193 5.078 -4.541 326 HG23 THR 47 HG23 THR 47 1.507 5.249 -4.050 327 H TRP 48 HN TRP 48 1.496 0.667 -4.188 328 HA TRP 48 HA TRP 48 1.737 -1.306 -2.171 329 HB2 TRP 48 HB2 TRP 48 0.709 -1.622 -4.331 330 HB3 TRP 48 HB1 TRP 48 2.228 -1.303 -5.117 331 HD1 TRP 48 HD1 TRP 48 1.163 -3.817 -2.342 332 HE1 TRP 48 HE1 TRP 48 2.050 -6.153 -2.981 333 HE3 TRP 48 HE3 TRP 48 3.407 -2.636 -6.780 334 HZ2 TRP 48 HZ2 TRP 48 3.503 -7.327 -5.094 335 HZ3 TRP 48 HZ3 TRP 48 4.515 -4.426 -8.049 336 HH2 TRP 48 HH2 TRP 48 4.561 -6.724 -7.222 337 H GLU 49 HN GLU 49 3.816 0.856 -3.469 338 HA GLU 49 HA GLU 49 6.255 -0.612 -3.079 339 HB2 GLU 49 HB2 GLU 49 5.712 2.217 -3.881 340 HB3 GLU 49 HB1 GLU 49 7.300 1.469 -3.876 341 HG2 GLU 49 HG2 GLU 49 6.932 0.400 -5.824 342 HG3 GLU 49 HG1 GLU 49 5.244 0.062 -5.441 343 H SER 50 HN SER 50 4.852 2.275 -2.035 344 HA SER 50 HA SER 50 4.929 3.623 -0.237 345 HB2 SER 50 HB2 SER 50 4.648 2.501 1.933 346 HB3 SER 50 HB1 SER 50 3.620 1.833 0.666 347 HG SER 50 HG SER 50 5.961 0.512 0.720 348 HA PRO 51 HA PRO 51 9.223 4.146 0.961 349 HB2 PRO 51 HB2 PRO 51 9.259 6.774 0.858 350 HB3 PRO 51 HB1 PRO 51 9.145 5.854 -0.652 351 HG2 PRO 51 HG2 PRO 51 6.958 7.110 0.943 352 HG3 PRO 51 HG1 PRO 51 7.265 7.270 -0.795 353 HD2 PRO 51 HD2 PRO 51 5.471 5.549 0.308 354 HD3 PRO 51 HD1 PRO 51 6.290 5.238 -1.237 355 H GLY 52 HN GLY 52 9.800 6.295 2.634 356 HA2 GLY 52 HA2 GLY 52 8.788 5.548 5.148 357 HA3 GLY 52 HA1 GLY 52 9.583 7.077 4.787 358 H ASP 53 HN ASP 53 8.150 8.603 3.443 359 HA ASP 53 HA ASP 53 5.331 8.363 3.586 360 HB2 ASP 53 HB2 ASP 53 5.836 8.870 6.003 361 HB3 ASP 53 HB1 ASP 53 6.541 10.397 5.484 362 H ASP 54 HN ASP 54 5.842 8.807 1.401 363 HA ASP 54 HA ASP 54 6.568 11.584 0.816 364 HB2 ASP 54 HB2 ASP 54 8.578 10.087 0.731 365 HB3 ASP 54 HB1 ASP 54 7.777 9.196 -0.551 366 H ALA 55 HN ALA 55 6.209 12.041 -1.608 367 HA ALA 55 HA ALA 55 3.629 11.402 -2.421 368 HB1 ALA 55 HB1 ALA 55 4.894 13.355 -3.191 369 HB2 ALA 55 HB2 ALA 55 4.278 12.406 -4.535 370 HB3 ALA 55 HB3 ALA 55 5.974 12.293 -4.094 371 H SER 56 HN SER 56 6.707 9.866 -2.996 372 HA SER 56 HA SER 56 7.371 7.973 -4.023 373 HB2 SER 56 HB2 SER 56 5.860 5.988 -3.733 374 HB3 SER 56 HB1 SER 56 6.185 6.880 -2.253 375 HG SER 56 HG SER 56 3.984 7.858 -3.459 Start of MODEL 12 1 H1 GLY 9 HT1 GLY 9 13.548 10.194 -7.061 2 H2 GLY 9 HT2 GLY 9 14.844 11.285 -6.995 3 H3 GLY 9 HT3 GLY 9 13.263 11.832 -6.720 4 HA2 GLY 9 HA1 GLY 9 14.785 9.960 -4.996 5 HA3 GLY 9 HA2 GLY 9 14.461 11.654 -4.643 6 H SER 10 HN SER 10 13.693 10.015 -2.755 7 HA SER 10 HA SER 10 11.981 9.229 -1.496 8 HB2 SER 10 HB2 SER 10 10.300 11.107 -3.174 9 HB3 SER 10 HB1 SER 10 9.916 10.504 -1.563 10 HG SER 10 HG SER 10 11.856 11.586 -0.841 11 H LYS 11 HN LYS 11 12.618 7.549 -3.636 12 HA LYS 11 HA LYS 11 10.017 6.648 -4.647 13 HB2 LYS 11 HB2 LYS 11 11.783 6.796 -6.304 14 HB3 LYS 11 HB1 LYS 11 12.852 5.825 -5.308 15 HG2 LYS 11 HG2 LYS 11 12.173 4.303 -6.875 16 HG3 LYS 11 HG1 LYS 11 11.011 4.004 -5.588 17 HD2 LYS 11 HD2 LYS 11 10.453 5.855 -7.895 18 HD3 LYS 11 HD1 LYS 11 10.081 4.134 -7.943 19 HE2 LYS 11 HE2 LYS 11 8.694 4.455 -5.898 20 HE3 LYS 11 HE1 LYS 11 8.972 6.189 -6.037 21 HZ1 LYS 11 HZ1 LYS 11 7.638 4.478 -8.069 22 HZ2 LYS 11 HZ2 LYS 11 7.896 6.150 -8.205 23 HZ3 LYS 11 HZ3 LYS 11 6.859 5.545 -7.005 24 HA PRO 12 HA PRO 12 10.038 3.538 -1.382 25 HB2 PRO 12 HB2 PRO 12 7.545 2.790 -1.685 26 HB3 PRO 12 HB1 PRO 12 7.934 4.375 -0.999 27 HG2 PRO 12 HG2 PRO 12 7.373 3.666 -3.829 28 HG3 PRO 12 HG1 PRO 12 6.491 4.843 -2.835 29 HD2 PRO 12 HD2 PRO 12 8.394 5.711 -4.423 30 HD3 PRO 12 HD1 PRO 12 8.317 6.303 -2.739 31 H LYS 13 HN LYS 13 9.900 1.325 -1.276 32 HA LYS 13 HA LYS 13 9.557 -0.143 -3.775 33 HB2 LYS 13 HB2 LYS 13 11.578 -0.759 -1.618 34 HB3 LYS 13 HB1 LYS 13 11.260 -1.765 -3.016 35 HG2 LYS 13 HG2 LYS 13 12.105 1.064 -3.425 36 HG3 LYS 13 HG1 LYS 13 13.306 -0.140 -2.968 37 HD2 LYS 13 HD2 LYS 13 13.422 -0.169 -5.285 38 HD3 LYS 13 HD1 LYS 13 12.333 -1.512 -4.941 39 HE2 LYS 13 HE2 LYS 13 11.169 1.190 -5.414 40 HE3 LYS 13 HE1 LYS 13 11.781 0.288 -6.796 41 HZ1 LYS 13 HZ1 LYS 13 10.178 -1.315 -6.578 42 HZ2 LYS 13 HZ2 LYS 13 9.314 0.050 -6.048 43 HZ3 LYS 13 HZ3 LYS 13 9.957 -1.044 -4.925 44 H THR 14 HN THR 14 8.953 -2.497 -3.255 45 HA THR 14 HA THR 14 6.901 -2.412 -1.225 46 HB THR 14 HB THR 14 6.447 -4.804 -2.043 47 HG1 THR 14 HG1 THR 14 8.419 -5.237 -3.075 48 HG21 THR 14 HG21 THR 14 5.099 -2.882 -2.729 49 HG22 THR 14 HG22 THR 14 5.308 -4.012 -4.064 50 HG23 THR 14 HG23 THR 14 6.252 -2.524 -4.015 51 H ILE 15 HN ILE 15 8.273 -2.179 0.528 52 HA ILE 15 HA ILE 15 10.093 -4.348 1.190 53 HB ILE 15 HB ILE 15 9.833 -1.733 2.634 54 HG12 ILE 15 HG12 ILE 15 11.374 -2.273 0.097 55 HG13 ILE 15 HG11 ILE 15 9.938 -1.272 0.206 56 HG21 ILE 15 HG21 ILE 15 11.247 -3.465 3.618 57 HG22 ILE 15 HG22 ILE 15 12.209 -2.094 3.072 58 HG23 ILE 15 HG23 ILE 15 12.164 -3.578 2.117 59 HD11 ILE 15 HD11 ILE 15 12.620 -0.727 1.484 60 HD12 ILE 15 HD12 ILE 15 11.175 0.257 1.716 61 HD13 ILE 15 HD13 ILE 15 11.904 0.124 0.114 62 H VAL 16 HN VAL 16 9.445 -5.812 2.620 63 HA VAL 16 HA VAL 16 7.082 -5.272 4.219 64 HB VAL 16 HB VAL 16 8.712 -7.803 3.976 65 HG11 VAL 16 HG11 VAL 16 7.475 -7.716 6.072 66 HG12 VAL 16 HG12 VAL 16 6.779 -8.916 4.985 67 HG13 VAL 16 HG13 VAL 16 5.990 -7.352 5.194 68 HG21 VAL 16 HG21 VAL 16 6.748 -8.577 2.623 69 HG22 VAL 16 HG22 VAL 16 7.768 -7.357 1.869 70 HG23 VAL 16 HG23 VAL 16 6.219 -6.893 2.568 71 H LEU 17 HN LEU 17 7.511 -4.074 5.987 72 HA LEU 17 HA LEU 17 9.698 -4.678 7.746 73 HB2 LEU 17 HB2 LEU 17 7.209 -3.028 8.120 74 HB3 LEU 17 HB1 LEU 17 8.469 -3.156 9.314 75 HG LEU 17 HG LEU 17 9.957 -2.285 7.382 76 HD11 LEU 17 HD11 LEU 17 8.697 -0.654 5.962 77 HD12 LEU 17 HD12 LEU 17 7.221 -1.469 6.480 78 HD13 LEU 17 HD13 LEU 17 8.445 -2.354 5.571 79 HD21 LEU 17 HD21 LEU 17 9.567 -1.110 9.470 80 HD22 LEU 17 HD22 LEU 17 8.024 -0.513 8.856 81 HD23 LEU 17 HD23 LEU 17 9.535 0.016 8.112 82 HA PRO 18 HA PRO 18 8.808 -8.139 9.990 83 HB2 PRO 18 HB2 PRO 18 7.619 -6.847 12.345 84 HB3 PRO 18 HB1 PRO 18 9.057 -7.853 12.211 85 HG2 PRO 18 HG2 PRO 18 8.872 -4.971 12.249 86 HG3 PRO 18 HG1 PRO 18 10.322 -5.988 12.268 87 HD2 PRO 18 HD2 PRO 18 9.606 -4.365 10.169 88 HD3 PRO 18 HD1 PRO 18 10.604 -5.822 9.997 89 HA PRO 19 HA PRO 19 4.215 -8.286 9.668 90 HB2 PRO 19 HB2 PRO 19 2.608 -7.484 11.668 91 HB3 PRO 19 HB1 PRO 19 3.743 -8.824 11.870 92 HG2 PRO 19 HG2 PRO 19 3.816 -6.144 13.053 93 HG3 PRO 19 HG1 PRO 19 4.734 -7.588 13.506 94 HD2 PRO 19 HD2 PRO 19 5.526 -5.346 11.780 95 HD3 PRO 19 HD1 PRO 19 6.541 -6.582 12.556 96 H ASN 20 HN ASN 20 4.847 -4.904 10.426 97 HA ASN 20 HA ASN 20 2.536 -4.088 8.898 98 HB2 ASN 20 HB2 ASN 20 2.568 -4.058 11.746 99 HB3 ASN 20 HB1 ASN 20 2.499 -2.418 11.145 100 HD21 ASN 20 HD21 ASN 20 0.511 -1.940 11.625 101 HD22 ASN 20 HD22 ASN 20 -0.849 -2.705 10.926 102 H TRP 21 HN TRP 21 2.438 -1.489 9.542 103 HA TRP 21 HA TRP 21 3.354 0.569 9.077 104 HB2 TRP 21 HB2 TRP 21 5.172 -0.284 10.605 105 HB3 TRP 21 HB1 TRP 21 5.996 -0.785 9.132 106 HD1 TRP 21 HD1 TRP 21 7.367 1.089 7.852 107 HE1 TRP 21 HE1 TRP 21 7.802 3.589 8.275 108 HE3 TRP 21 HE3 TRP 21 3.995 1.858 11.611 109 HZ2 TRP 21 HZ2 TRP 21 6.841 5.616 9.994 110 HZ3 TRP 21 HZ3 TRP 21 3.816 4.107 12.592 111 HH2 TRP 21 HH2 TRP 21 5.207 5.944 11.801 112 H LYS 22 HN LYS 22 3.287 -1.920 7.266 113 HA LYS 22 HA LYS 22 4.862 -0.952 5.001 114 HB2 LYS 22 HB2 LYS 22 4.434 -3.496 4.364 115 HB3 LYS 22 HB1 LYS 22 5.760 -2.997 5.412 116 HG2 LYS 22 HG2 LYS 22 4.617 -3.579 7.326 117 HG3 LYS 22 HG1 LYS 22 3.061 -3.669 6.490 118 HD2 LYS 22 HD2 LYS 22 5.423 -5.528 6.047 119 HD3 LYS 22 HD1 LYS 22 4.032 -5.906 7.060 120 HE2 LYS 22 HE2 LYS 22 3.642 -5.149 4.193 121 HE3 LYS 22 HE1 LYS 22 4.140 -6.785 4.608 122 HZ1 LYS 22 HZ1 LYS 22 1.768 -6.686 4.427 123 HZ2 LYS 22 HZ2 LYS 22 1.680 -5.408 5.536 124 HZ3 LYS 22 HZ3 LYS 22 2.178 -6.945 6.053 125 H THR 23 HN THR 23 4.008 -2.088 2.903 126 HA THR 23 HA THR 23 1.151 -1.688 2.631 127 HB THR 23 HB THR 23 1.511 -0.598 0.490 128 HG1 THR 23 HG1 THR 23 3.720 -0.004 -0.064 129 HG21 THR 23 HG21 THR 23 3.132 0.592 2.723 130 HG22 THR 23 HG22 THR 23 1.420 0.866 2.390 131 HG23 THR 23 HG23 THR 23 2.645 1.474 1.272 132 H ALA 24 HN ALA 24 0.223 -3.241 1.635 133 HA ALA 24 HA ALA 24 1.646 -4.988 -0.223 134 HB1 ALA 24 HB1 ALA 24 1.553 -6.706 1.166 135 HB2 ALA 24 HB2 ALA 24 -0.204 -6.572 1.105 136 HB3 ALA 24 HB3 ALA 24 0.696 -5.731 2.363 137 H ARG 25 HN ARG 25 0.212 -6.133 -1.691 138 HA ARG 25 HA ARG 25 -2.431 -4.913 -1.853 139 HB2 ARG 25 HB2 ARG 25 -2.522 -5.989 -4.147 140 HB3 ARG 25 HB1 ARG 25 -1.415 -4.663 -3.927 141 HG2 ARG 25 HG2 ARG 25 0.435 -5.949 -4.214 142 HG3 ARG 25 HG1 ARG 25 -0.338 -7.386 -3.536 143 HD2 ARG 25 HD2 ARG 25 -1.456 -7.868 -5.510 144 HD3 ARG 25 HD1 ARG 25 -1.268 -6.228 -6.122 145 HE ARG 25 HE ARG 25 1.116 -6.766 -6.449 146 HH11 ARG 25 HH11 ARG 25 -1.139 -9.409 -6.086 147 HH12 ARG 25 HH12 ARG 25 -0.162 -10.541 -6.969 148 HH21 ARG 25 HH21 ARG 25 2.397 -8.229 -7.645 149 HH22 ARG 25 HH22 ARG 25 1.840 -9.866 -7.865 150 H ASP 26 HN ASP 26 -4.182 -5.981 -1.847 151 HA ASP 26 HA ASP 26 -4.317 -8.656 -0.804 152 HB2 ASP 26 HB2 ASP 26 -6.017 -6.695 -0.582 153 HB3 ASP 26 HB1 ASP 26 -6.560 -7.164 -2.186 154 HA PRO 27 HA PRO 27 -4.056 -11.162 -4.515 155 HB2 PRO 27 HB2 PRO 27 -6.911 -11.907 -4.023 156 HB3 PRO 27 HB1 PRO 27 -5.535 -12.938 -4.438 157 HG2 PRO 27 HG2 PRO 27 -6.399 -12.803 -1.933 158 HG3 PRO 27 HG1 PRO 27 -4.665 -12.866 -2.288 159 HD2 PRO 27 HD2 PRO 27 -6.327 -10.581 -1.374 160 HD3 PRO 27 HD1 PRO 27 -4.610 -10.920 -1.080 161 H GLU 28 HN GLU 28 -6.542 -8.762 -4.225 162 HA GLU 28 HA GLU 28 -7.491 -9.015 -6.933 163 HB2 GLU 28 HB2 GLU 28 -8.625 -6.799 -6.324 164 HB3 GLU 28 HB1 GLU 28 -9.121 -8.236 -5.436 165 HG2 GLU 28 HG2 GLU 28 -7.811 -7.605 -3.549 166 HG3 GLU 28 HG1 GLU 28 -7.079 -6.273 -4.435 167 H GLY 29 HN GLY 29 -4.757 -7.673 -5.476 168 HA2 GLY 29 HA2 GLY 29 -2.987 -6.637 -6.601 169 HA3 GLY 29 HA1 GLY 29 -4.067 -6.301 -7.956 170 H LYS 30 HN LYS 30 -5.353 -5.486 -4.939 171 HA LYS 30 HA LYS 30 -4.733 -2.658 -5.482 172 HB2 LYS 30 HB2 LYS 30 -7.138 -3.200 -5.573 173 HB3 LYS 30 HB1 LYS 30 -7.064 -3.812 -3.926 174 HG2 LYS 30 HG2 LYS 30 -6.766 -1.691 -3.019 175 HG3 LYS 30 HG1 LYS 30 -6.244 -1.004 -4.556 176 HD2 LYS 30 HD2 LYS 30 -8.517 -1.295 -5.438 177 HD3 LYS 30 HD1 LYS 30 -9.029 -1.933 -3.872 178 HE2 LYS 30 HE2 LYS 30 -8.687 0.140 -2.802 179 HE3 LYS 30 HE1 LYS 30 -7.765 0.782 -4.162 180 HZ1 LYS 30 HZ1 LYS 30 -9.736 0.865 -5.482 181 HZ2 LYS 30 HZ2 LYS 30 -10.071 1.642 -4.010 182 HZ3 LYS 30 HZ3 LYS 30 -10.646 0.071 -4.293 183 H ILE 31 HN ILE 31 -3.917 -1.403 -3.981 184 HA ILE 31 HA ILE 31 -2.358 -2.814 -2.033 185 HB ILE 31 HB ILE 31 -1.548 -0.993 -3.577 186 HG12 ILE 31 HG12 ILE 31 -0.350 -1.847 -1.474 187 HG13 ILE 31 HG11 ILE 31 0.153 -0.302 -2.110 188 HG21 ILE 31 HG21 ILE 31 -1.787 1.327 -2.817 189 HG22 ILE 31 HG22 ILE 31 -2.929 0.781 -1.588 190 HG23 ILE 31 HG23 ILE 31 -3.321 0.601 -3.297 191 HD11 ILE 31 HD11 ILE 31 -0.005 -0.397 0.340 192 HD12 ILE 31 HD12 ILE 31 -1.749 -0.596 0.146 193 HD13 ILE 31 HD13 ILE 31 -0.964 0.878 -0.414 194 H TYR 32 HN TYR 32 -2.210 -2.314 0.115 195 HA TYR 32 HA TYR 32 -4.290 -0.764 1.407 196 HB2 TYR 32 HB2 TYR 32 -3.938 -3.735 1.921 197 HB3 TYR 32 HB1 TYR 32 -4.853 -2.651 2.963 198 HD1 TYR 32 HD2 TYR 32 -6.902 -1.507 2.010 199 HD2 TYR 32 HD1 TYR 32 -4.932 -4.703 0.010 200 HE1 TYR 32 HE2 TYR 32 -8.920 -1.900 0.667 201 HE2 TYR 32 HE1 TYR 32 -6.948 -5.106 -1.340 202 HH TYR 32 HH TYR 32 -9.643 -2.907 -1.331 203 H TYR 33 HN TYR 33 -3.611 -0.278 3.623 204 HA TYR 33 HA TYR 33 -0.714 -0.488 3.743 205 HB2 TYR 33 HB2 TYR 33 -2.110 1.785 3.391 206 HB3 TYR 33 HB1 TYR 33 -2.087 1.733 5.131 207 HD1 TYR 33 HD2 TYR 33 0.505 0.876 5.902 208 HD2 TYR 33 HD1 TYR 33 -0.561 3.321 2.593 209 HE1 TYR 33 HE2 TYR 33 2.758 1.868 5.914 210 HE2 TYR 33 HE1 TYR 33 1.682 4.317 2.594 211 HH TYR 33 HH TYR 33 3.535 4.682 4.183 212 H TYR 34 HN TYR 34 0.174 -0.699 5.672 213 HA TYR 34 HA TYR 34 -1.541 -1.301 7.976 214 HB2 TYR 34 HB2 TYR 34 1.051 -2.678 7.192 215 HB3 TYR 34 HB1 TYR 34 0.095 -3.028 8.624 216 HD1 TYR 34 HD2 TYR 34 0.074 -3.185 4.925 217 HD2 TYR 34 HD1 TYR 34 -1.687 -4.589 8.536 218 HE1 TYR 34 HE2 TYR 34 -1.175 -4.877 3.649 219 HE2 TYR 34 HE1 TYR 34 -2.946 -6.278 7.273 220 HH TYR 34 HH TYR 34 -2.280 -6.989 3.978 221 H HIS 35 HN HIS 35 -0.903 -0.228 9.855 222 HA HIS 35 HA HIS 35 1.856 0.798 9.808 223 HB2 HIS 35 HB2 HIS 35 -0.614 2.270 10.705 224 HB3 HIS 35 HB1 HIS 35 0.972 2.698 11.328 225 HD1 HIS 35 HD1 HIS 35 -1.258 3.943 9.022 226 HD2 HIS 35 HD2 HIS 35 2.773 2.965 8.746 227 HE1 HIS 35 HE1 HIS 35 -0.370 5.285 7.090 228 HE2 HIS 35 HE2 HIS 35 2.119 4.860 7.102 229 H VAL 36 HN VAL 36 3.068 0.086 11.347 230 HA VAL 36 HA VAL 36 2.344 -1.837 13.182 231 HB VAL 36 HB VAL 36 4.733 -0.029 12.978 232 HG11 VAL 36 HG11 VAL 36 4.371 -2.186 15.058 233 HG12 VAL 36 HG12 VAL 36 4.461 -0.453 15.373 234 HG13 VAL 36 HG13 VAL 36 5.863 -1.304 14.725 235 HG21 VAL 36 HG21 VAL 36 5.817 -1.865 12.094 236 HG22 VAL 36 HG22 VAL 36 4.167 -2.104 11.473 237 HG23 VAL 36 HG23 VAL 36 4.739 -3.011 12.884 238 H ILE 37 HN ILE 37 2.012 1.569 13.534 239 HA ILE 37 HA ILE 37 2.479 1.999 16.220 240 HB ILE 37 HB ILE 37 0.723 3.860 15.948 241 HG12 ILE 37 HG12 ILE 37 0.923 2.995 13.050 242 HG13 ILE 37 HG11 ILE 37 -0.499 2.716 14.055 243 HG21 ILE 37 HG21 ILE 37 3.112 4.237 15.776 244 HG22 ILE 37 HG22 ILE 37 2.258 5.182 14.554 245 HG23 ILE 37 HG23 ILE 37 3.094 3.700 14.097 246 HD11 ILE 37 HD11 ILE 37 -0.818 4.642 12.634 247 HD12 ILE 37 HD12 ILE 37 0.645 5.395 13.270 248 HD13 ILE 37 HD13 ILE 37 -0.749 5.145 14.322 249 H THR 38 HN THR 38 -0.648 1.298 14.717 250 HA THR 38 HA THR 38 -1.722 0.548 17.331 251 HB THR 38 HB THR 38 -3.978 0.984 16.118 252 HG1 THR 38 HG1 THR 38 -3.785 2.571 14.456 253 HG21 THR 38 HG21 THR 38 -3.172 2.353 17.971 254 HG22 THR 38 HG22 THR 38 -3.917 3.367 16.735 255 HG23 THR 38 HG23 THR 38 -2.159 3.279 16.863 256 H ARG 39 HN ARG 39 -0.341 -0.680 14.802 257 HA ARG 39 HA ARG 39 -0.402 -2.544 13.518 258 HB2 ARG 39 HB2 ARG 39 -2.439 -3.599 15.480 259 HB3 ARG 39 HB1 ARG 39 -1.299 -4.522 14.504 260 HG2 ARG 39 HG2 ARG 39 0.535 -3.841 15.786 261 HG3 ARG 39 HG1 ARG 39 -0.378 -2.525 16.544 262 HD2 ARG 39 HD2 ARG 39 -0.769 -5.498 16.954 263 HD3 ARG 39 HD1 ARG 39 -0.067 -4.365 18.106 264 HE ARG 39 HE ARG 39 -2.617 -3.441 17.471 265 HH11 ARG 39 HH11 ARG 39 -1.142 -6.207 19.051 266 HH12 ARG 39 HH12 ARG 39 -2.506 -6.480 20.094 267 HH21 ARG 39 HH21 ARG 39 -4.409 -3.836 18.824 268 HH22 ARG 39 HH22 ARG 39 -4.366 -5.166 19.956 269 H GLN 40 HN GLN 40 -1.905 -0.420 12.763 270 HA GLN 40 HA GLN 40 -4.581 -1.251 12.163 271 HB2 GLN 40 HB2 GLN 40 -4.824 1.014 11.218 272 HB3 GLN 40 HB1 GLN 40 -4.369 0.990 12.903 273 HG2 GLN 40 HG2 GLN 40 -2.643 2.274 12.428 274 HG3 GLN 40 HG1 GLN 40 -2.020 0.956 11.432 275 HE21 GLN 40 HE21 GLN 40 -4.363 1.124 9.701 276 HE22 GLN 40 HE22 GLN 40 -4.079 2.473 8.654 277 H THR 41 HN THR 41 -5.544 -1.120 10.330 278 HA THR 41 HA THR 41 -3.977 -1.060 7.868 279 HB THR 41 HB THR 41 -6.128 -3.131 8.147 280 HG1 THR 41 HG1 THR 41 -3.610 -3.162 9.313 281 HG21 THR 41 HG21 THR 41 -3.883 -2.402 6.382 282 HG22 THR 41 HG22 THR 41 -5.525 -2.915 5.952 283 HG23 THR 41 HG23 THR 41 -4.330 -4.112 6.468 284 H GLN 42 HN GLN 42 -5.233 -0.235 6.078 285 HA GLN 42 HA GLN 42 -7.928 0.611 6.774 286 HB2 GLN 42 HB2 GLN 42 -7.535 2.930 6.620 287 HB3 GLN 42 HB1 GLN 42 -6.209 2.281 7.550 288 HG2 GLN 42 HG2 GLN 42 -5.745 2.565 4.680 289 HG3 GLN 42 HG1 GLN 42 -5.780 4.030 5.675 290 HE21 GLN 42 HE21 GLN 42 -4.516 0.852 5.511 291 HE22 GLN 42 HE22 GLN 42 -3.021 1.124 6.310 292 H TRP 43 HN TRP 43 -8.837 1.946 5.124 293 HA TRP 43 HA TRP 43 -8.325 0.829 2.447 294 HB2 TRP 43 HB2 TRP 43 -10.692 1.391 4.023 295 HB3 TRP 43 HB1 TRP 43 -10.750 2.206 2.469 296 HD1 TRP 43 HD1 TRP 43 -10.439 -1.338 3.946 297 HE1 TRP 43 HE1 TRP 43 -11.291 -3.031 2.204 298 HE3 TRP 43 HE3 TRP 43 -11.223 1.869 0.050 299 HZ2 TRP 43 HZ2 TRP 43 -12.177 -2.992 -0.479 300 HZ3 TRP 43 HZ3 TRP 43 -12.073 0.965 -2.069 301 HH2 TRP 43 HH2 TRP 43 -12.540 -1.416 -2.328 302 H ASP 44 HN ASP 44 -8.030 3.444 4.408 303 HA ASP 44 HA ASP 44 -8.502 5.634 2.673 304 HB2 ASP 44 HB2 ASP 44 -8.360 5.782 5.163 305 HB3 ASP 44 HB1 ASP 44 -6.628 5.492 5.049 306 HA PRO 45 HA PRO 45 -5.599 5.705 -0.576 307 HB2 PRO 45 HB2 PRO 45 -4.708 8.221 0.773 308 HB3 PRO 45 HB1 PRO 45 -5.016 7.917 -0.940 309 HG2 PRO 45 HG2 PRO 45 -6.817 9.091 0.773 310 HG3 PRO 45 HG1 PRO 45 -7.258 8.247 -0.719 311 HD2 PRO 45 HD2 PRO 45 -7.860 7.493 1.981 312 HD3 PRO 45 HD1 PRO 45 -8.276 6.630 0.487 313 HA PRO 46 HA PRO 46 -1.922 4.269 1.711 314 HB2 PRO 46 HB2 PRO 46 -1.796 2.092 -0.125 315 HB3 PRO 46 HB1 PRO 46 -2.263 2.043 1.587 316 HG2 PRO 46 HG2 PRO 46 -3.989 1.516 -0.489 317 HG3 PRO 46 HG1 PRO 46 -4.495 2.083 1.113 318 HD2 PRO 46 HD2 PRO 46 -4.103 3.655 -1.412 319 HD3 PRO 46 HD1 PRO 46 -5.406 3.768 -0.204 320 H THR 47 HN THR 47 -0.439 2.538 -0.221 321 HA THR 47 HA THR 47 0.395 4.172 -2.397 322 HB THR 47 HB THR 47 2.359 3.760 -0.118 323 HG1 THR 47 HG1 THR 47 0.557 5.780 -0.563 324 HG21 THR 47 HG21 THR 47 2.906 3.877 -2.665 325 HG22 THR 47 HG22 THR 47 3.942 4.673 -1.480 326 HG23 THR 47 HG23 THR 47 2.761 5.613 -2.399 327 H TRP 48 HN TRP 48 0.775 2.835 -3.837 328 HA TRP 48 HA TRP 48 0.745 0.129 -3.763 329 HB2 TRP 48 HB2 TRP 48 0.473 1.493 -5.716 330 HB3 TRP 48 HB1 TRP 48 2.148 1.983 -5.623 331 HD1 TRP 48 HD1 TRP 48 3.718 0.664 -7.188 332 HE1 TRP 48 HE1 TRP 48 3.649 -1.621 -8.375 333 HE3 TRP 48 HE3 TRP 48 -0.684 -1.105 -5.277 334 HZ2 TRP 48 HZ2 TRP 48 1.956 -3.873 -8.470 335 HZ3 TRP 48 HZ3 TRP 48 -1.454 -3.338 -5.963 336 HH2 TRP 48 HH2 TRP 48 -0.159 -4.693 -7.528 337 H GLU 49 HN GLU 49 3.358 2.168 -3.094 338 HA GLU 49 HA GLU 49 5.142 -0.095 -2.697 339 HB2 GLU 49 HB2 GLU 49 5.630 2.624 -3.860 340 HB3 GLU 49 HB1 GLU 49 6.943 1.737 -3.105 341 HG2 GLU 49 HG2 GLU 49 6.646 -0.090 -4.665 342 HG3 GLU 49 HG1 GLU 49 5.227 0.690 -5.356 343 H SER 50 HN SER 50 7.134 1.587 -1.377 344 HA SER 50 HA SER 50 5.870 2.612 0.967 345 HB2 SER 50 HB2 SER 50 5.281 0.289 1.302 346 HB3 SER 50 HB1 SER 50 6.948 -0.203 1.022 347 HG SER 50 HG SER 50 7.515 0.939 2.931 348 HA PRO 51 HA PRO 51 10.236 3.858 1.130 349 HB2 PRO 51 HB2 PRO 51 9.860 6.259 2.121 350 HB3 PRO 51 HB1 PRO 51 9.357 5.931 0.453 351 HG2 PRO 51 HG2 PRO 51 7.690 5.834 2.946 352 HG3 PRO 51 HG1 PRO 51 7.377 6.773 1.474 353 HD2 PRO 51 HD2 PRO 51 6.257 4.391 1.956 354 HD3 PRO 51 HD1 PRO 51 6.708 4.898 0.304 355 H GLY 52 HN GLY 52 11.063 5.392 3.260 356 HA2 GLY 52 HA2 GLY 52 10.944 3.736 5.541 357 HA3 GLY 52 HA1 GLY 52 11.449 5.423 5.532 358 H ASP 53 HN ASP 53 9.211 6.732 4.724 359 HA ASP 53 HA ASP 53 6.723 6.019 5.569 360 HB2 ASP 53 HB2 ASP 53 7.612 5.795 7.877 361 HB3 ASP 53 HB1 ASP 53 8.169 7.463 7.821 362 H ASP 54 HN ASP 54 6.837 7.187 3.622 363 HA ASP 54 HA ASP 54 6.502 10.054 3.945 364 HB2 ASP 54 HB2 ASP 54 8.788 9.808 3.350 365 HB3 ASP 54 HB1 ASP 54 8.434 8.596 2.140 366 H ALA 55 HN ALA 55 5.391 10.986 1.988 367 HA ALA 55 HA ALA 55 3.123 9.630 1.244 368 HB1 ALA 55 HB1 ALA 55 3.496 12.060 1.025 369 HB2 ALA 55 HB2 ALA 55 2.855 11.338 -0.439 370 HB3 ALA 55 HB3 ALA 55 4.560 11.753 -0.349 371 H SER 56 HN SER 56 6.098 10.056 -0.617 372 HA SER 56 HA SER 56 6.948 9.021 -2.437 373 HB2 SER 56 HB2 SER 56 6.070 6.698 -0.698 374 HB3 SER 56 HB1 SER 56 7.147 6.541 -2.090 375 HG SER 56 HG SER 56 7.848 8.557 -0.352 Start of MODEL 13 1 H1 GLY 9 HT1 GLY 9 15.253 10.511 -5.861 2 H2 GLY 9 HT2 GLY 9 16.817 9.893 -6.075 3 H3 GLY 9 HT3 GLY 9 16.009 9.659 -4.605 4 HA2 GLY 9 HA1 GLY 9 15.181 8.531 -7.225 5 HA3 GLY 9 HA2 GLY 9 16.001 7.642 -5.947 6 H SER 10 HN SER 10 13.122 9.659 -6.488 7 HA SER 10 HA SER 10 11.805 8.519 -4.194 8 HB2 SER 10 HB2 SER 10 10.846 10.483 -6.282 9 HB3 SER 10 HB1 SER 10 9.956 10.049 -4.818 10 HG SER 10 HG SER 10 12.181 10.660 -3.833 11 H LYS 11 HN LYS 11 12.425 6.617 -6.285 12 HA LYS 11 HA LYS 11 9.717 5.783 -7.044 13 HB2 LYS 11 HB2 LYS 11 12.158 5.580 -8.361 14 HB3 LYS 11 HB1 LYS 11 11.922 3.969 -7.704 15 HG2 LYS 11 HG2 LYS 11 9.934 5.431 -9.431 16 HG3 LYS 11 HG1 LYS 11 11.085 4.225 -10.007 17 HD2 LYS 11 HD2 LYS 11 8.916 3.746 -7.958 18 HD3 LYS 11 HD1 LYS 11 8.836 3.288 -9.662 19 HE2 LYS 11 HE2 LYS 11 10.868 1.884 -9.306 20 HE3 LYS 11 HE1 LYS 11 10.763 2.255 -7.585 21 HZ1 LYS 11 HZ1 LYS 11 8.492 1.282 -7.625 22 HZ2 LYS 11 HZ2 LYS 11 9.720 0.165 -7.965 23 HZ3 LYS 11 HZ3 LYS 11 8.771 0.779 -9.220 24 HA PRO 12 HA PRO 12 9.809 3.483 -3.213 25 HB2 PRO 12 HB2 PRO 12 7.427 2.267 -3.542 26 HB3 PRO 12 HB1 PRO 12 7.618 3.938 -3.008 27 HG2 PRO 12 HG2 PRO 12 7.070 2.885 -5.727 28 HG3 PRO 12 HG1 PRO 12 6.266 4.208 -4.879 29 HD2 PRO 12 HD2 PRO 12 8.115 4.732 -6.690 30 HD3 PRO 12 HD1 PRO 12 8.030 5.659 -5.170 31 H LYS 13 HN LYS 13 9.981 1.413 -2.470 32 HA LYS 13 HA LYS 13 10.252 -0.713 -4.442 33 HB2 LYS 13 HB2 LYS 13 12.060 -0.214 -2.077 34 HB3 LYS 13 HB1 LYS 13 12.150 -1.600 -3.147 35 HG2 LYS 13 HG2 LYS 13 12.816 -0.228 -4.991 36 HG3 LYS 13 HG1 LYS 13 12.538 1.244 -4.054 37 HD2 LYS 13 HD2 LYS 13 14.554 -0.878 -3.313 38 HD3 LYS 13 HD1 LYS 13 14.945 0.576 -4.232 39 HE2 LYS 13 HE2 LYS 13 13.642 0.645 -1.518 40 HE3 LYS 13 HE1 LYS 13 15.392 0.667 -1.744 41 HZ1 LYS 13 HZ1 LYS 13 15.361 2.776 -2.490 42 HZ2 LYS 13 HZ2 LYS 13 13.925 2.866 -1.595 43 HZ3 LYS 13 HZ3 LYS 13 13.869 2.622 -3.271 44 H THR 14 HN THR 14 10.119 -2.896 -3.320 45 HA THR 14 HA THR 14 7.769 -2.778 -1.632 46 HB THR 14 HB THR 14 7.767 -5.294 -1.947 47 HG1 THR 14 HG1 THR 14 10.010 -5.475 -2.488 48 HG21 THR 14 HG21 THR 14 6.372 -3.821 -3.309 49 HG22 THR 14 HG22 THR 14 6.975 -5.175 -4.266 50 HG23 THR 14 HG23 THR 14 7.708 -3.579 -4.434 51 H ILE 15 HN ILE 15 8.804 -1.980 0.188 52 HA ILE 15 HA ILE 15 10.836 -3.599 1.484 53 HB ILE 15 HB ILE 15 9.815 -0.918 2.371 54 HG12 ILE 15 HG12 ILE 15 11.901 -1.443 0.255 55 HG13 ILE 15 HG11 ILE 15 10.277 -0.879 -0.087 56 HG21 ILE 15 HG21 ILE 15 11.352 -2.121 3.853 57 HG22 ILE 15 HG22 ILE 15 12.099 -0.662 3.203 58 HG23 ILE 15 HG23 ILE 15 12.525 -2.239 2.542 59 HD11 ILE 15 HD11 ILE 15 11.892 0.943 -0.142 60 HD12 ILE 15 HD12 ILE 15 12.372 0.594 1.519 61 HD13 ILE 15 HD13 ILE 15 10.739 1.170 1.174 62 H VAL 16 HN VAL 16 10.012 -5.124 2.781 63 HA VAL 16 HA VAL 16 7.472 -4.638 4.100 64 HB VAL 16 HB VAL 16 7.636 -6.781 3.049 65 HG11 VAL 16 HG11 VAL 16 10.158 -7.169 4.626 66 HG12 VAL 16 HG12 VAL 16 9.955 -7.133 2.872 67 HG13 VAL 16 HG13 VAL 16 9.298 -8.474 3.807 68 HG21 VAL 16 HG21 VAL 16 6.405 -6.739 5.143 69 HG22 VAL 16 HG22 VAL 16 7.882 -7.102 6.035 70 HG23 VAL 16 HG23 VAL 16 7.206 -8.296 4.927 71 H LEU 17 HN LEU 17 7.619 -3.473 5.886 72 HA LEU 17 HA LEU 17 9.725 -3.885 7.802 73 HB2 LEU 17 HB2 LEU 17 7.178 -2.284 7.952 74 HB3 LEU 17 HB1 LEU 17 8.398 -2.298 9.194 75 HG LEU 17 HG LEU 17 9.900 -1.562 7.146 76 HD11 LEU 17 HD11 LEU 17 7.179 -0.502 6.444 77 HD12 LEU 17 HD12 LEU 17 8.127 -1.655 5.502 78 HD13 LEU 17 HD13 LEU 17 8.699 0.002 5.704 79 HD21 LEU 17 HD21 LEU 17 9.714 -0.350 9.224 80 HD22 LEU 17 HD22 LEU 17 8.129 0.260 8.749 81 HD23 LEU 17 HD23 LEU 17 9.568 0.767 7.864 82 HA PRO 18 HA PRO 18 9.067 -7.329 10.075 83 HB2 PRO 18 HB2 PRO 18 7.491 -5.718 12.052 84 HB3 PRO 18 HB1 PRO 18 8.682 -6.992 12.342 85 HG2 PRO 18 HG2 PRO 18 9.250 -4.274 12.310 86 HG3 PRO 18 HG1 PRO 18 10.440 -5.565 12.083 87 HD2 PRO 18 HD2 PRO 18 9.640 -3.615 10.175 88 HD3 PRO 18 HD1 PRO 18 10.677 -5.027 9.889 89 HA PRO 19 HA PRO 19 4.654 -8.222 9.206 90 HB2 PRO 19 HB2 PRO 19 2.901 -8.313 11.198 91 HB3 PRO 19 HB1 PRO 19 4.391 -9.261 11.290 92 HG2 PRO 19 HG2 PRO 19 3.621 -6.829 12.781 93 HG3 PRO 19 HG1 PRO 19 4.810 -8.074 13.199 94 HD2 PRO 19 HD2 PRO 19 5.239 -5.500 11.889 95 HD3 PRO 19 HD1 PRO 19 6.443 -6.648 12.513 96 H ASN 20 HN ASN 20 4.975 -5.033 9.749 97 HA ASN 20 HA ASN 20 2.569 -4.256 8.486 98 HB2 ASN 20 HB2 ASN 20 2.413 -4.482 11.305 99 HB3 ASN 20 HB1 ASN 20 2.400 -2.781 10.898 100 HD21 ASN 20 HD21 ASN 20 0.363 -2.402 11.381 101 HD22 ASN 20 HD22 ASN 20 -0.943 -3.027 10.465 102 H TRP 21 HN TRP 21 2.412 -1.635 9.489 103 HA TRP 21 HA TRP 21 3.409 0.454 9.306 104 HB2 TRP 21 HB2 TRP 21 5.129 -0.788 10.710 105 HB3 TRP 21 HB1 TRP 21 5.977 -1.024 9.192 106 HD1 TRP 21 HD1 TRP 21 5.264 2.185 8.323 107 HE1 TRP 21 HE1 TRP 21 6.748 4.006 9.354 108 HE3 TRP 21 HE3 TRP 21 7.152 -0.461 12.269 109 HZ2 TRP 21 HZ2 TRP 21 8.489 4.291 11.560 110 HZ3 TRP 21 HZ3 TRP 21 8.721 0.665 13.796 111 HH2 TRP 21 HH2 TRP 21 9.374 2.995 13.444 112 H LYS 22 HN LYS 22 3.123 -1.668 7.176 113 HA LYS 22 HA LYS 22 4.831 -0.556 5.075 114 HB2 LYS 22 HB2 LYS 22 4.405 -2.947 4.097 115 HB3 LYS 22 HB1 LYS 22 5.662 -2.656 5.293 116 HG2 LYS 22 HG2 LYS 22 4.483 -3.611 6.964 117 HG3 LYS 22 HG1 LYS 22 2.919 -3.341 6.174 118 HD2 LYS 22 HD2 LYS 22 3.461 -5.054 4.500 119 HD3 LYS 22 HD1 LYS 22 5.044 -5.296 5.236 120 HE2 LYS 22 HE2 LYS 22 3.643 -7.075 5.956 121 HE3 LYS 22 HE1 LYS 22 3.868 -5.995 7.329 122 HZ1 LYS 22 HZ1 LYS 22 1.459 -6.250 5.605 123 HZ2 LYS 22 HZ2 LYS 22 1.670 -5.001 6.727 124 HZ3 LYS 22 HZ3 LYS 22 1.597 -6.605 7.256 125 H THR 23 HN THR 23 4.055 -1.404 2.864 126 HA THR 23 HA THR 23 1.203 -0.974 2.474 127 HB THR 23 HB THR 23 1.771 0.038 0.318 128 HG1 THR 23 HG1 THR 23 3.925 -1.082 0.274 129 HG21 THR 23 HG21 THR 23 3.147 1.279 2.689 130 HG22 THR 23 HG22 THR 23 1.471 1.530 2.186 131 HG23 THR 23 HG23 THR 23 2.797 2.130 1.184 132 H ALA 24 HN ALA 24 0.310 -2.583 1.566 133 HA ALA 24 HA ALA 24 1.638 -4.232 -0.425 134 HB1 ALA 24 HB1 ALA 24 1.859 -6.018 0.853 135 HB2 ALA 24 HB2 ALA 24 0.137 -5.953 1.201 136 HB3 ALA 24 HB3 ALA 24 1.271 -5.092 2.236 137 H ARG 25 HN ARG 25 0.080 -5.586 -1.622 138 HA ARG 25 HA ARG 25 -2.664 -4.571 -1.359 139 HB2 ARG 25 HB2 ARG 25 -1.846 -6.162 -3.684 140 HB3 ARG 25 HB1 ARG 25 -3.158 -5.045 -3.567 141 HG2 ARG 25 HG2 ARG 25 -1.629 -3.195 -3.696 142 HG3 ARG 25 HG1 ARG 25 -0.249 -4.305 -3.720 143 HD2 ARG 25 HD2 ARG 25 -1.024 -5.300 -5.764 144 HD3 ARG 25 HD1 ARG 25 -2.495 -4.329 -5.724 145 HE ARG 25 HE ARG 25 0.242 -3.258 -6.133 146 HH11 ARG 25 HH11 ARG 25 -3.214 -3.057 -6.745 147 HH12 ARG 25 HH12 ARG 25 -3.044 -1.770 -7.907 148 HH21 ARG 25 HH21 ARG 25 0.449 -1.584 -7.644 149 HH22 ARG 25 HH22 ARG 25 -0.981 -0.917 -8.383 150 H ASP 26 HN ASP 26 -4.258 -5.918 -0.970 151 HA ASP 26 HA ASP 26 -3.915 -8.681 -0.405 152 HB2 ASP 26 HB2 ASP 26 -5.869 -7.048 0.200 153 HB3 ASP 26 HB1 ASP 26 -6.471 -7.420 -1.409 154 HA PRO 27 HA PRO 27 -3.107 -10.446 -4.321 155 HB2 PRO 27 HB2 PRO 27 -5.121 -12.424 -4.394 156 HB3 PRO 27 HB1 PRO 27 -3.475 -12.601 -3.782 157 HG2 PRO 27 HG2 PRO 27 -5.999 -12.049 -2.304 158 HG3 PRO 27 HG1 PRO 27 -4.588 -13.000 -1.806 159 HD2 PRO 27 HD2 PRO 27 -5.010 -10.579 -0.795 160 HD3 PRO 27 HD1 PRO 27 -3.366 -11.102 -1.222 161 H GLU 28 HN GLU 28 -6.201 -9.119 -3.752 162 HA GLU 28 HA GLU 28 -7.288 -9.590 -6.362 163 HB2 GLU 28 HB2 GLU 28 -8.928 -7.773 -5.482 164 HB3 GLU 28 HB1 GLU 28 -8.934 -9.373 -4.753 165 HG2 GLU 28 HG2 GLU 28 -7.585 -8.572 -2.910 166 HG3 GLU 28 HG1 GLU 28 -7.483 -6.976 -3.653 167 H GLY 29 HN GLY 29 -4.940 -7.422 -5.168 168 HA2 GLY 29 HA2 GLY 29 -3.750 -6.026 -6.655 169 HA3 GLY 29 HA1 GLY 29 -5.195 -5.889 -7.652 170 H LYS 30 HN LYS 30 -5.889 -5.599 -4.368 171 HA LYS 30 HA LYS 30 -6.011 -2.665 -4.657 172 HB2 LYS 30 HB2 LYS 30 -7.504 -4.473 -2.733 173 HB3 LYS 30 HB1 LYS 30 -7.665 -2.727 -2.822 174 HG2 LYS 30 HG2 LYS 30 -8.391 -4.654 -5.017 175 HG3 LYS 30 HG1 LYS 30 -9.522 -3.890 -3.900 176 HD2 LYS 30 HD2 LYS 30 -8.665 -1.669 -4.752 177 HD3 LYS 30 HD1 LYS 30 -7.837 -2.577 -6.018 178 HE2 LYS 30 HE2 LYS 30 -10.805 -2.488 -5.497 179 HE3 LYS 30 HE1 LYS 30 -9.952 -1.775 -6.863 180 HZ1 LYS 30 HZ1 LYS 30 -9.325 -4.003 -7.580 181 HZ2 LYS 30 HZ2 LYS 30 -11.007 -3.851 -7.476 182 HZ3 LYS 30 HZ3 LYS 30 -10.162 -4.683 -6.268 183 H ILE 31 HN ILE 31 -4.791 -1.438 -3.508 184 HA ILE 31 HA ILE 31 -2.859 -2.756 -1.776 185 HB ILE 31 HB ILE 31 -2.229 -1.320 -3.733 186 HG12 ILE 31 HG12 ILE 31 -0.802 -1.884 -1.625 187 HG13 ILE 31 HG11 ILE 31 -0.224 -0.676 -2.747 188 HG21 ILE 31 HG21 ILE 31 -3.066 0.933 -1.939 189 HG22 ILE 31 HG22 ILE 31 -3.828 0.460 -3.456 190 HG23 ILE 31 HG23 ILE 31 -2.184 1.098 -3.455 191 HD11 ILE 31 HD11 ILE 31 0.064 -0.056 -0.392 192 HD12 ILE 31 HD12 ILE 31 -1.688 -0.063 -0.235 193 HD13 ILE 31 HD13 ILE 31 -0.913 1.092 -1.307 194 H TYR 32 HN TYR 32 -2.245 -1.786 0.245 195 HA TYR 32 HA TYR 32 -4.251 -0.139 1.549 196 HB2 TYR 32 HB2 TYR 32 -3.578 -2.939 2.519 197 HB3 TYR 32 HB1 TYR 32 -4.539 -1.765 3.401 198 HD1 TYR 32 HD2 TYR 32 -6.740 -0.985 2.278 199 HD2 TYR 32 HD1 TYR 32 -4.594 -4.461 1.094 200 HE1 TYR 32 HE2 TYR 32 -8.777 -1.879 1.229 201 HE2 TYR 32 HE1 TYR 32 -6.623 -5.366 0.044 202 HH TYR 32 HH TYR 32 -9.035 -5.117 0.200 203 H TYR 33 HN TYR 33 -3.419 0.520 3.697 204 HA TYR 33 HA TYR 33 -0.534 0.229 3.796 205 HB2 TYR 33 HB2 TYR 33 -1.638 2.580 3.448 206 HB3 TYR 33 HB1 TYR 33 -2.046 2.442 5.134 207 HD1 TYR 33 HD2 TYR 33 -0.214 2.235 6.835 208 HD2 TYR 33 HD1 TYR 33 0.547 3.256 2.784 209 HE1 TYR 33 HE2 TYR 33 1.994 3.110 7.476 210 HE2 TYR 33 HE1 TYR 33 2.753 4.132 3.410 211 HH TYR 33 HH TYR 33 3.986 3.831 6.702 212 H TYR 34 HN TYR 34 0.278 -0.109 5.821 213 HA TYR 34 HA TYR 34 -1.627 -0.633 7.991 214 HB2 TYR 34 HB2 TYR 34 0.591 -2.459 7.040 215 HB3 TYR 34 HB1 TYR 34 -0.239 -2.656 8.578 216 HD1 TYR 34 HD1 TYR 34 -2.549 -3.420 8.651 217 HD2 TYR 34 HD2 TYR 34 -0.474 -3.056 4.955 218 HE1 TYR 34 HE1 TYR 34 -4.258 -4.806 7.564 219 HE2 TYR 34 HE2 TYR 34 -2.186 -4.438 3.855 220 HH TYR 34 HH TYR 34 -3.853 -6.249 4.622 221 H HIS 35 HN HIS 35 -0.909 0.022 10.009 222 HA HIS 35 HA HIS 35 1.986 0.590 10.218 223 HB2 HIS 35 HB2 HIS 35 -0.357 2.117 11.282 224 HB3 HIS 35 HB1 HIS 35 1.128 2.097 12.224 225 HD1 HIS 35 HD1 HIS 35 -0.422 4.389 10.322 226 HD2 HIS 35 HD2 HIS 35 3.329 2.642 9.925 227 HE1 HIS 35 HE1 HIS 35 0.953 6.028 9.007 228 HE2 HIS 35 HE2 HIS 35 3.275 5.049 8.978 229 H VAL 36 HN VAL 36 3.064 -0.524 11.671 230 HA VAL 36 HA VAL 36 2.034 -2.734 12.982 231 HB VAL 36 HB VAL 36 4.484 -1.261 13.940 232 HG11 VAL 36 HG11 VAL 36 3.820 -3.084 15.370 233 HG12 VAL 36 HG12 VAL 36 5.286 -3.524 14.490 234 HG13 VAL 36 HG13 VAL 36 3.727 -4.177 13.987 235 HG21 VAL 36 HG21 VAL 36 5.267 -1.469 11.857 236 HG22 VAL 36 HG22 VAL 36 4.030 -2.634 11.370 237 HG23 VAL 36 HG23 VAL 36 5.458 -3.173 12.274 238 H ILE 37 HN ILE 37 2.004 0.544 14.073 239 HA ILE 37 HA ILE 37 2.277 0.274 16.818 240 HB ILE 37 HB ILE 37 0.787 2.362 16.918 241 HG12 ILE 37 HG12 ILE 37 1.093 2.161 13.911 242 HG13 ILE 37 HG11 ILE 37 -0.425 1.910 14.776 243 HG21 ILE 37 HG21 ILE 37 3.268 2.348 15.214 244 HG22 ILE 37 HG22 ILE 37 3.199 2.447 16.973 245 HG23 ILE 37 HG23 ILE 37 2.568 3.768 15.990 246 HD11 ILE 37 HD11 ILE 37 -0.304 4.125 13.788 247 HD12 ILE 37 HD12 ILE 37 1.169 4.466 14.696 248 HD13 ILE 37 HD13 ILE 37 -0.356 4.221 15.549 249 H THR 38 HN THR 38 -0.759 0.377 15.009 250 HA THR 38 HA THR 38 -2.139 -0.811 17.310 251 HB THR 38 HB THR 38 -3.475 0.765 15.098 252 HG1 THR 38 HG1 THR 38 -3.435 2.383 17.062 253 HG21 THR 38 HG21 THR 38 -4.296 0.092 17.929 254 HG22 THR 38 HG22 THR 38 -4.956 -0.616 16.456 255 HG23 THR 38 HG23 THR 38 -5.227 1.090 16.809 256 H ARG 39 HN ARG 39 -0.685 -1.548 14.601 257 HA ARG 39 HA ARG 39 -0.860 -2.975 12.860 258 HB2 ARG 39 HB2 ARG 39 -3.026 -4.267 14.533 259 HB3 ARG 39 HB1 ARG 39 -2.083 -5.033 13.251 260 HG2 ARG 39 HG2 ARG 39 -0.131 -5.035 14.520 261 HG3 ARG 39 HG1 ARG 39 -0.748 -3.805 15.636 262 HD2 ARG 39 HD2 ARG 39 -2.316 -5.410 16.557 263 HD3 ARG 39 HD1 ARG 39 -1.818 -6.623 15.381 264 HE ARG 39 HE ARG 39 0.455 -6.394 16.508 265 HH11 ARG 39 HH11 ARG 39 -2.557 -5.847 18.194 266 HH12 ARG 39 HH12 ARG 39 -1.959 -6.403 19.727 267 HH21 ARG 39 HH21 ARG 39 1.275 -7.106 18.535 268 HH22 ARG 39 HH22 ARG 39 0.213 -7.126 19.922 269 H GLN 40 HN GLN 40 -2.166 -0.574 12.830 270 HA GLN 40 HA GLN 40 -4.880 -0.817 12.048 271 HB2 GLN 40 HB2 GLN 40 -4.625 1.676 11.631 272 HB3 GLN 40 HB1 GLN 40 -4.491 1.111 13.278 273 HG2 GLN 40 HG2 GLN 40 -2.564 2.170 13.410 274 HG3 GLN 40 HG1 GLN 40 -1.943 0.993 12.253 275 HE21 GLN 40 HE21 GLN 40 -3.811 1.957 10.225 276 HE22 GLN 40 HE22 GLN 40 -3.106 3.409 9.596 277 H THR 41 HN THR 41 -5.798 -0.016 10.304 278 HA THR 41 HA THR 41 -4.163 0.030 7.862 279 HB THR 41 HB THR 41 -6.894 -1.189 7.806 280 HG1 THR 41 HG1 THR 41 -5.037 -2.167 9.352 281 HG21 THR 41 HG21 THR 41 -4.398 -1.137 6.204 282 HG22 THR 41 HG22 THR 41 -6.077 -0.931 5.674 283 HG23 THR 41 HG23 THR 41 -5.460 -2.544 6.052 284 H GLN 42 HN GLN 42 -5.170 1.220 6.086 285 HA GLN 42 HA GLN 42 -7.249 3.090 6.987 286 HB2 GLN 42 HB2 GLN 42 -4.897 3.871 5.253 287 HB3 GLN 42 HB1 GLN 42 -6.109 4.941 5.935 288 HG2 GLN 42 HG2 GLN 42 -4.424 5.349 7.392 289 HG3 GLN 42 HG1 GLN 42 -5.152 3.963 8.204 290 HE21 GLN 42 HE21 GLN 42 -4.145 2.219 6.047 291 HE22 GLN 42 HE22 GLN 42 -2.488 1.926 6.414 292 H TRP 43 HN TRP 43 -8.347 4.121 5.207 293 HA TRP 43 HA TRP 43 -9.031 2.188 3.172 294 HB2 TRP 43 HB2 TRP 43 -10.127 4.776 4.160 295 HB3 TRP 43 HB1 TRP 43 -10.571 4.232 2.553 296 HD1 TRP 43 HD1 TRP 43 -10.870 3.192 6.245 297 HE1 TRP 43 HE1 TRP 43 -12.841 1.554 6.485 298 HE3 TRP 43 HE3 TRP 43 -12.035 2.597 1.301 299 HZ2 TRP 43 HZ2 TRP 43 -14.645 0.191 4.801 300 HZ3 TRP 43 HZ3 TRP 43 -13.897 1.102 0.703 301 HH2 TRP 43 HH2 TRP 43 -15.173 -0.074 2.417 302 H ASP 44 HN ASP 44 -7.112 4.902 3.513 303 HA ASP 44 HA ASP 44 -6.961 5.795 0.811 304 HB2 ASP 44 HB2 ASP 44 -6.390 7.242 2.717 305 HB3 ASP 44 HB1 ASP 44 -5.049 6.184 3.129 306 HA PRO 45 HA PRO 45 -4.130 2.483 -0.320 307 HB2 PRO 45 HB2 PRO 45 -4.983 2.364 -2.899 308 HB3 PRO 45 HB1 PRO 45 -5.862 1.634 -1.554 309 HG2 PRO 45 HG2 PRO 45 -6.604 3.921 -3.189 310 HG3 PRO 45 HG1 PRO 45 -7.575 3.042 -2.000 311 HD2 PRO 45 HD2 PRO 45 -6.095 5.556 -1.695 312 HD3 PRO 45 HD1 PRO 45 -7.367 4.867 -0.665 313 HA PRO 46 HA PRO 46 -1.325 5.623 -2.109 314 HB2 PRO 46 HB2 PRO 46 0.839 4.237 -0.805 315 HB3 PRO 46 HB1 PRO 46 0.191 5.842 -0.463 316 HG2 PRO 46 HG2 PRO 46 -0.060 3.708 1.237 317 HG3 PRO 46 HG1 PRO 46 -1.187 5.076 1.191 318 HD2 PRO 46 HD2 PRO 46 -1.463 2.348 -0.010 319 HD3 PRO 46 HD1 PRO 46 -2.686 3.354 0.800 320 H THR 47 HN THR 47 0.356 2.486 -1.651 321 HA THR 47 HA THR 47 0.747 1.951 -4.391 322 HB THR 47 HB THR 47 3.346 2.469 -4.063 323 HG1 THR 47 HG1 THR 47 2.907 4.908 -3.140 324 HG21 THR 47 HG21 THR 47 1.942 3.223 -5.934 325 HG22 THR 47 HG22 THR 47 3.088 4.459 -5.419 326 HG23 THR 47 HG23 THR 47 1.391 4.583 -4.956 327 H TRP 48 HN TRP 48 1.444 0.079 -4.611 328 HA TRP 48 HA TRP 48 1.561 -1.790 -2.580 329 HB2 TRP 48 HB2 TRP 48 0.978 -2.294 -4.822 330 HB3 TRP 48 HB1 TRP 48 2.533 -1.762 -5.397 331 HD1 TRP 48 HD1 TRP 48 1.341 -4.501 -2.893 332 HE1 TRP 48 HE1 TRP 48 2.720 -6.632 -3.336 333 HE3 TRP 48 HE3 TRP 48 4.298 -2.770 -6.686 334 HZ2 TRP 48 HZ2 TRP 48 4.785 -7.464 -5.070 335 HZ3 TRP 48 HZ3 TRP 48 5.949 -4.298 -7.684 336 HH2 TRP 48 HH2 TRP 48 6.188 -6.593 -6.893 337 H GLU 49 HN GLU 49 3.937 0.259 -3.789 338 HA GLU 49 HA GLU 49 6.079 -1.264 -2.709 339 HB2 GLU 49 HB2 GLU 49 7.347 0.619 -4.074 340 HB3 GLU 49 HB1 GLU 49 6.757 -0.885 -4.752 341 HG2 GLU 49 HG2 GLU 49 4.644 0.311 -5.281 342 HG3 GLU 49 HG1 GLU 49 5.532 1.805 -4.989 343 H SER 50 HN SER 50 5.470 2.033 -3.107 344 HA SER 50 HA SER 50 5.571 3.878 -1.819 345 HB2 SER 50 HB2 SER 50 4.477 1.781 -0.217 346 HB3 SER 50 HB1 SER 50 5.333 2.946 0.802 347 HG SER 50 HG SER 50 3.415 3.648 -1.185 348 HA PRO 51 HA PRO 51 9.841 4.178 -0.603 349 HB2 PRO 51 HB2 PRO 51 9.881 6.800 -0.205 350 HB3 PRO 51 HB1 PRO 51 9.692 6.145 -1.843 351 HG2 PRO 51 HG2 PRO 51 7.552 7.020 0.077 352 HG3 PRO 51 HG1 PRO 51 7.791 7.562 -1.599 353 HD2 PRO 51 HD2 PRO 51 6.040 5.661 -0.968 354 HD3 PRO 51 HD1 PRO 51 7.017 5.533 -2.445 355 H GLY 52 HN GLY 52 7.589 3.674 1.339 356 HA2 GLY 52 HA2 GLY 52 7.809 3.462 3.721 357 HA3 GLY 52 HA1 GLY 52 8.676 4.988 3.692 358 H ASP 53 HN ASP 53 7.509 6.929 3.142 359 HA ASP 53 HA ASP 53 4.806 6.979 2.449 360 HB2 ASP 53 HB2 ASP 53 3.758 7.814 4.530 361 HB3 ASP 53 HB1 ASP 53 4.373 6.181 4.748 362 H ASP 54 HN ASP 54 6.953 8.151 1.476 363 HA ASP 54 HA ASP 54 7.085 10.895 2.482 364 HB2 ASP 54 HB2 ASP 54 9.126 9.355 2.062 365 HB3 ASP 54 HB1 ASP 54 8.840 9.738 0.370 366 H ALA 55 HN ALA 55 7.213 9.267 -0.633 367 HA ALA 55 HA ALA 55 5.240 11.136 -1.725 368 HB1 ALA 55 HB1 ALA 55 6.561 11.380 -3.773 369 HB2 ALA 55 HB2 ALA 55 7.838 10.380 -3.079 370 HB3 ALA 55 HB3 ALA 55 7.470 11.954 -2.373 371 H SER 56 HN SER 56 5.403 10.056 -4.354 372 HA SER 56 HA SER 56 4.778 8.330 -5.687 373 HB2 SER 56 HB2 SER 56 5.659 6.458 -3.483 374 HB3 SER 56 HB1 SER 56 5.621 6.151 -5.219 375 HG SER 56 HG SER 56 7.189 8.015 -5.270 Start of MODEL 14 1 H1 GLY 9 HT1 GLY 9 16.128 7.746 -5.695 2 H2 GLY 9 HT2 GLY 9 17.099 8.682 -4.662 3 H3 GLY 9 HT3 GLY 9 17.259 8.830 -6.342 4 HA2 GLY 9 HA1 GLY 9 16.037 10.695 -5.381 5 HA3 GLY 9 HA2 GLY 9 15.081 9.777 -6.536 6 H SER 10 HN SER 10 13.048 9.909 -5.824 7 HA SER 10 HA SER 10 12.545 9.287 -2.994 8 HB2 SER 10 HB2 SER 10 10.294 10.376 -3.438 9 HB3 SER 10 HB1 SER 10 11.685 11.462 -3.493 10 HG SER 10 HG SER 10 10.128 10.428 -5.615 11 H LYS 11 HN LYS 11 12.394 8.053 -6.089 12 HA LYS 11 HA LYS 11 9.997 6.638 -6.098 13 HB2 LYS 11 HB2 LYS 11 12.621 6.193 -7.485 14 HB3 LYS 11 HB1 LYS 11 11.294 5.052 -7.673 15 HG2 LYS 11 HG2 LYS 11 11.238 7.987 -8.361 16 HG3 LYS 11 HG1 LYS 11 11.311 6.639 -9.499 17 HD2 LYS 11 HD2 LYS 11 9.132 5.850 -8.692 18 HD3 LYS 11 HD1 LYS 11 9.062 7.209 -7.569 19 HE2 LYS 11 HE2 LYS 11 9.105 8.767 -9.459 20 HE3 LYS 11 HE1 LYS 11 9.169 7.404 -10.576 21 HZ1 LYS 11 HZ1 LYS 11 6.950 8.025 -8.699 22 HZ2 LYS 11 HZ2 LYS 11 7.019 6.663 -9.711 23 HZ3 LYS 11 HZ3 LYS 11 6.923 8.217 -10.388 24 HA PRO 12 HA PRO 12 10.716 3.702 -2.881 25 HB2 PRO 12 HB2 PRO 12 8.335 2.652 -2.899 26 HB3 PRO 12 HB1 PRO 12 8.593 4.330 -2.392 27 HG2 PRO 12 HG2 PRO 12 7.829 3.283 -5.058 28 HG3 PRO 12 HG1 PRO 12 6.970 4.495 -4.098 29 HD2 PRO 12 HD2 PRO 12 8.629 5.249 -6.017 30 HD3 PRO 12 HD1 PRO 12 8.583 6.117 -4.463 31 H LYS 13 HN LYS 13 10.877 1.538 -2.512 32 HA LYS 13 HA LYS 13 10.475 -0.247 -4.773 33 HB2 LYS 13 HB2 LYS 13 12.701 -0.460 -2.746 34 HB3 LYS 13 HB1 LYS 13 12.415 -1.560 -4.088 35 HG2 LYS 13 HG2 LYS 13 12.738 0.435 -5.611 36 HG3 LYS 13 HG1 LYS 13 13.332 1.298 -4.194 37 HD2 LYS 13 HD2 LYS 13 15.215 0.425 -5.391 38 HD3 LYS 13 HD1 LYS 13 15.033 -0.501 -3.900 39 HE2 LYS 13 HE2 LYS 13 14.028 -2.327 -5.077 40 HE3 LYS 13 HE1 LYS 13 13.941 -1.385 -6.567 41 HZ1 LYS 13 HZ1 LYS 13 16.346 -1.349 -6.656 42 HZ2 LYS 13 HZ2 LYS 13 15.786 -2.945 -6.590 43 HZ3 LYS 13 HZ3 LYS 13 16.444 -2.224 -5.205 44 H THR 14 HN THR 14 10.193 -2.549 -3.975 45 HA THR 14 HA THR 14 8.124 -2.429 -1.972 46 HB THR 14 HB THR 14 7.945 -4.958 -2.648 47 HG1 THR 14 HG1 THR 14 9.780 -5.214 -3.865 48 HG21 THR 14 HG21 THR 14 7.243 -2.712 -4.541 49 HG22 THR 14 HG22 THR 14 6.263 -3.295 -3.197 50 HG23 THR 14 HG23 THR 14 6.555 -4.336 -4.590 51 H ILE 15 HN ILE 15 9.560 -1.988 -0.277 52 HA ILE 15 HA ILE 15 11.325 -4.102 0.649 53 HB ILE 15 HB ILE 15 10.870 -1.447 1.973 54 HG12 ILE 15 HG12 ILE 15 12.652 -1.921 -0.419 55 HG13 ILE 15 HG11 ILE 15 11.077 -1.151 -0.528 56 HG21 ILE 15 HG21 ILE 15 12.338 -3.024 3.100 57 HG22 ILE 15 HG22 ILE 15 13.273 -1.664 2.480 58 HG23 ILE 15 HG23 ILE 15 13.296 -3.211 1.632 59 HD11 ILE 15 HD11 ILE 15 11.885 0.652 0.926 60 HD12 ILE 15 HD12 ILE 15 12.879 0.487 -0.521 61 HD13 ILE 15 HD13 ILE 15 13.461 -0.133 1.024 62 H VAL 16 HN VAL 16 10.830 -5.378 2.375 63 HA VAL 16 HA VAL 16 8.129 -5.107 3.453 64 HB VAL 16 HB VAL 16 10.088 -7.390 3.755 65 HG11 VAL 16 HG11 VAL 16 7.135 -7.253 4.372 66 HG12 VAL 16 HG12 VAL 16 8.435 -7.305 5.562 67 HG13 VAL 16 HG13 VAL 16 8.156 -8.687 4.504 68 HG21 VAL 16 HG21 VAL 16 8.555 -8.522 2.128 69 HG22 VAL 16 HG22 VAL 16 9.534 -7.212 1.475 70 HG23 VAL 16 HG23 VAL 16 7.828 -6.941 1.830 71 H LEU 17 HN LEU 17 7.959 -3.879 5.212 72 HA LEU 17 HA LEU 17 10.035 -3.736 7.205 73 HB2 LEU 17 HB2 LEU 17 7.232 -2.645 7.164 74 HB3 LEU 17 HB1 LEU 17 8.404 -2.295 8.403 75 HG LEU 17 HG LEU 17 9.800 -1.411 6.413 76 HD11 LEU 17 HD11 LEU 17 8.360 -0.376 4.665 77 HD12 LEU 17 HD12 LEU 17 7.030 -1.367 5.269 78 HD13 LEU 17 HD13 LEU 17 8.462 -2.136 4.590 79 HD21 LEU 17 HD21 LEU 17 9.135 0.038 8.152 80 HD22 LEU 17 HD22 LEU 17 7.448 -0.014 7.640 81 HD23 LEU 17 HD23 LEU 17 8.647 0.814 6.642 82 HA PRO 18 HA PRO 18 8.941 -6.996 9.990 83 HB2 PRO 18 HB2 PRO 18 8.546 -5.478 12.327 84 HB3 PRO 18 HB1 PRO 18 10.059 -6.218 11.801 85 HG2 PRO 18 HG2 PRO 18 9.111 -3.412 11.492 86 HG3 PRO 18 HG1 PRO 18 10.754 -4.025 11.757 87 HD2 PRO 18 HD2 PRO 18 9.984 -3.151 9.353 88 HD3 PRO 18 HD1 PRO 18 11.046 -4.567 9.511 89 HA PRO 19 HA PRO 19 4.877 -7.602 8.729 90 HB2 PRO 19 HB2 PRO 19 4.581 -8.450 11.590 91 HB3 PRO 19 HB1 PRO 19 3.934 -9.208 10.128 92 HG2 PRO 19 HG2 PRO 19 6.317 -9.920 11.333 93 HG3 PRO 19 HG1 PRO 19 5.917 -10.221 9.634 94 HD2 PRO 19 HD2 PRO 19 7.971 -8.529 10.638 95 HD3 PRO 19 HD1 PRO 19 7.443 -8.683 8.949 96 H ASN 20 HN ASN 20 5.206 -4.918 9.352 97 HA ASN 20 HA ASN 20 2.695 -4.129 8.859 98 HB2 ASN 20 HB2 ASN 20 2.853 -4.494 11.651 99 HB3 ASN 20 HB1 ASN 20 2.811 -2.789 11.329 100 HD21 ASN 20 HD21 ASN 20 0.842 -2.413 12.045 101 HD22 ASN 20 HD22 ASN 20 -0.560 -2.976 11.240 102 H TRP 21 HN TRP 21 2.563 -1.570 9.741 103 HA TRP 21 HA TRP 21 3.466 0.526 9.283 104 HB2 TRP 21 HB2 TRP 21 5.267 -0.396 10.786 105 HB3 TRP 21 HB1 TRP 21 6.082 -0.882 9.313 106 HD1 TRP 21 HD1 TRP 21 8.089 0.690 10.415 107 HE1 TRP 21 HE1 TRP 21 8.565 3.197 10.102 108 HE3 TRP 21 HE3 TRP 21 3.487 2.192 8.743 109 HZ2 TRP 21 HZ2 TRP 21 7.177 5.501 9.262 110 HZ3 TRP 21 HZ3 TRP 21 3.152 4.569 8.214 111 HH2 TRP 21 HH2 TRP 21 4.959 6.189 8.468 112 H LYS 22 HN LYS 22 3.218 -1.790 7.386 113 HA LYS 22 HA LYS 22 4.888 -0.888 5.139 114 HB2 LYS 22 HB2 LYS 22 4.435 -3.386 4.441 115 HB3 LYS 22 HB1 LYS 22 5.733 -2.958 5.553 116 HG2 LYS 22 HG2 LYS 22 4.521 -3.584 7.399 117 HG3 LYS 22 HG1 LYS 22 2.988 -3.581 6.511 118 HD2 LYS 22 HD2 LYS 22 5.240 -5.494 5.872 119 HD3 LYS 22 HD1 LYS 22 4.024 -5.864 7.094 120 HE2 LYS 22 HE2 LYS 22 3.405 -5.198 4.219 121 HE3 LYS 22 HE1 LYS 22 3.556 -6.837 4.852 122 HZ1 LYS 22 HZ1 LYS 22 1.776 -6.164 6.503 123 HZ2 LYS 22 HZ2 LYS 22 1.277 -6.370 4.899 124 HZ3 LYS 22 HZ3 LYS 22 1.506 -4.812 5.517 125 H THR 23 HN THR 23 4.048 -1.998 3.044 126 HA THR 23 HA THR 23 1.215 -1.497 2.683 127 HB THR 23 HB THR 23 1.745 -0.495 0.516 128 HG1 THR 23 HG1 THR 23 3.826 -0.277 -0.180 129 HG21 THR 23 HG21 THR 23 3.233 0.714 2.836 130 HG22 THR 23 HG22 THR 23 1.559 1.031 2.366 131 HG23 THR 23 HG23 THR 23 2.884 1.566 1.329 132 H ALA 24 HN ALA 24 0.254 -3.060 1.713 133 HA ALA 24 HA ALA 24 1.584 -4.808 -0.199 134 HB1 ALA 24 HB1 ALA 24 1.623 -6.577 1.119 135 HB2 ALA 24 HB2 ALA 24 -0.119 -6.422 1.322 136 HB3 ALA 24 HB3 ALA 24 0.966 -5.610 2.444 137 H ARG 25 HN ARG 25 -0.143 -6.277 -1.261 138 HA ARG 25 HA ARG 25 -2.698 -4.831 -1.357 139 HB2 ARG 25 HB2 ARG 25 -1.678 -6.416 -3.613 140 HB3 ARG 25 HB1 ARG 25 -3.039 -5.352 -3.623 141 HG2 ARG 25 HG2 ARG 25 -1.603 -3.436 -3.576 142 HG3 ARG 25 HG1 ARG 25 -0.172 -4.467 -3.404 143 HD2 ARG 25 HD2 ARG 25 -0.361 -5.316 -5.552 144 HD3 ARG 25 HD1 ARG 25 -2.070 -4.897 -5.668 145 HE ARG 25 HE ARG 25 -0.742 -2.495 -5.496 146 HH11 ARG 25 HH11 ARG 25 -0.580 -5.283 -7.607 147 HH12 ARG 25 HH12 ARG 25 -0.227 -4.350 -9.033 148 HH21 ARG 25 HH21 ARG 25 -0.280 -1.262 -7.349 149 HH22 ARG 25 HH22 ARG 25 -0.043 -2.046 -8.883 150 H ASP 26 HN ASP 26 -4.496 -5.950 -1.272 151 HA ASP 26 HA ASP 26 -4.589 -8.725 -0.660 152 HB2 ASP 26 HB2 ASP 26 -6.675 -6.761 -1.646 153 HB3 ASP 26 HB1 ASP 26 -7.044 -8.462 -1.390 154 HA PRO 27 HA PRO 27 -3.658 -10.757 -4.341 155 HB2 PRO 27 HB2 PRO 27 -5.956 -12.358 -4.656 156 HB3 PRO 27 HB1 PRO 27 -4.471 -12.781 -3.801 157 HG2 PRO 27 HG2 PRO 27 -7.048 -11.753 -2.732 158 HG3 PRO 27 HG1 PRO 27 -5.892 -12.880 -2.000 159 HD2 PRO 27 HD2 PRO 27 -6.075 -10.358 -1.160 160 HD3 PRO 27 HD1 PRO 27 -4.501 -11.172 -1.271 161 H GLU 28 HN GLU 28 -6.578 -8.933 -4.291 162 HA GLU 28 HA GLU 28 -7.251 -9.355 -7.052 163 HB2 GLU 28 HB2 GLU 28 -8.855 -7.440 -6.577 164 HB3 GLU 28 HB1 GLU 28 -9.079 -8.906 -5.630 165 HG2 GLU 28 HG2 GLU 28 -8.139 -7.937 -3.708 166 HG3 GLU 28 HG1 GLU 28 -7.476 -6.581 -4.616 167 H GLY 29 HN GLY 29 -4.915 -7.468 -5.462 168 HA2 GLY 29 HA2 GLY 29 -3.362 -6.143 -6.698 169 HA3 GLY 29 HA1 GLY 29 -4.626 -5.805 -7.875 170 H LYS 30 HN LYS 30 -5.711 -5.625 -4.706 171 HA LYS 30 HA LYS 30 -5.686 -2.700 -4.835 172 HB2 LYS 30 HB2 LYS 30 -7.910 -3.258 -4.635 173 HB3 LYS 30 HB1 LYS 30 -7.573 -4.722 -3.728 174 HG2 LYS 30 HG2 LYS 30 -6.918 -2.272 -2.278 175 HG3 LYS 30 HG1 LYS 30 -8.627 -2.426 -2.703 176 HD2 LYS 30 HD2 LYS 30 -8.684 -4.645 -1.679 177 HD3 LYS 30 HD1 LYS 30 -6.975 -4.511 -1.274 178 HE2 LYS 30 HE2 LYS 30 -7.450 -2.630 0.187 179 HE3 LYS 30 HE1 LYS 30 -9.157 -2.700 -0.254 180 HZ1 LYS 30 HZ1 LYS 30 -7.658 -4.886 1.093 181 HZ2 LYS 30 HZ2 LYS 30 -9.313 -4.874 0.736 182 HZ3 LYS 30 HZ3 LYS 30 -8.693 -3.789 1.879 183 H ILE 31 HN ILE 31 -4.484 -1.603 -3.585 184 HA ILE 31 HA ILE 31 -2.721 -3.005 -1.780 185 HB ILE 31 HB ILE 31 -2.074 -1.322 -3.578 186 HG12 ILE 31 HG12 ILE 31 -0.645 -2.195 -1.604 187 HG13 ILE 31 HG11 ILE 31 -0.090 -0.786 -2.473 188 HG21 ILE 31 HG21 ILE 31 -3.649 0.423 -3.098 189 HG22 ILE 31 HG22 ILE 31 -2.009 1.039 -2.905 190 HG23 ILE 31 HG23 ILE 31 -2.970 0.634 -1.484 191 HD11 ILE 31 HD11 ILE 31 0.119 -0.709 0.006 192 HD12 ILE 31 HD12 ILE 31 -1.640 -0.591 0.044 193 HD13 ILE 31 HD13 ILE 31 -0.695 0.662 -0.751 194 H TYR 32 HN TYR 32 -2.222 -2.197 0.342 195 HA TYR 32 HA TYR 32 -4.173 -0.528 1.654 196 HB2 TYR 32 HB2 TYR 32 -4.709 -2.224 3.384 197 HB3 TYR 32 HB1 TYR 32 -5.312 -2.683 1.799 198 HD1 TYR 32 HD2 TYR 32 -2.531 -3.302 4.192 199 HD2 TYR 32 HD1 TYR 32 -4.744 -4.757 0.867 200 HE1 TYR 32 HE2 TYR 32 -1.410 -5.476 4.405 201 HE2 TYR 32 HE1 TYR 32 -3.629 -6.940 1.074 202 HH TYR 32 HH TYR 32 -1.609 -7.908 1.999 203 H TYR 33 HN TYR 33 -3.392 0.041 3.813 204 HA TYR 33 HA TYR 33 -0.535 -0.443 4.048 205 HB2 TYR 33 HB2 TYR 33 -1.415 1.895 3.236 206 HB3 TYR 33 HB1 TYR 33 -1.830 2.107 4.905 207 HD1 TYR 33 HD2 TYR 33 0.442 0.987 6.311 208 HD2 TYR 33 HD1 TYR 33 0.359 3.382 2.799 209 HE1 TYR 33 HE2 TYR 33 2.723 1.769 6.792 210 HE2 TYR 33 HE1 TYR 33 2.643 4.156 3.263 211 HH TYR 33 HH TYR 33 4.153 4.397 5.164 212 H TYR 34 HN TYR 34 0.144 -0.574 6.125 213 HA TYR 34 HA TYR 34 -1.795 -0.369 8.325 214 HB2 TYR 34 HB2 TYR 34 0.006 -2.741 7.760 215 HB3 TYR 34 HB1 TYR 34 -0.674 -2.428 9.345 216 HD1 TYR 34 HD1 TYR 34 -3.381 -1.885 9.062 217 HD2 TYR 34 HD2 TYR 34 -1.022 -4.466 6.644 218 HE1 TYR 34 HE1 TYR 34 -5.404 -3.117 8.412 219 HE2 TYR 34 HE2 TYR 34 -3.042 -5.707 5.993 220 HH TYR 34 HH TYR 34 -5.327 -6.120 6.879 221 H HIS 35 HN HIS 35 -0.909 0.528 10.160 222 HA HIS 35 HA HIS 35 2.037 0.733 10.205 223 HB2 HIS 35 HB2 HIS 35 0.648 2.890 10.173 224 HB3 HIS 35 HB1 HIS 35 0.124 2.461 11.792 225 HD1 HIS 35 HD1 HIS 35 1.529 5.073 11.516 226 HD2 HIS 35 HD2 HIS 35 3.591 1.515 12.163 227 HE1 HIS 35 HE1 HIS 35 3.745 5.740 12.505 228 HE2 HIS 35 HE2 HIS 35 5.008 3.578 12.834 229 H VAL 36 HN VAL 36 3.103 -0.265 11.785 230 HA VAL 36 HA VAL 36 2.097 -2.481 12.991 231 HB VAL 36 HB VAL 36 4.337 -0.969 14.289 232 HG11 VAL 36 HG11 VAL 36 5.231 -3.225 14.682 233 HG12 VAL 36 HG12 VAL 36 3.783 -3.906 13.938 234 HG13 VAL 36 HG13 VAL 36 3.654 -2.972 15.428 235 HG21 VAL 36 HG21 VAL 36 5.049 -0.806 12.107 236 HG22 VAL 36 HG22 VAL 36 4.318 -2.338 11.612 237 HG23 VAL 36 HG23 VAL 36 5.778 -2.326 12.618 238 H ILE 37 HN ILE 37 1.942 0.708 14.355 239 HA ILE 37 HA ILE 37 2.026 0.178 17.072 240 HB ILE 37 HB ILE 37 0.566 2.280 17.257 241 HG12 ILE 37 HG12 ILE 37 1.071 2.332 14.269 242 HG13 ILE 37 HG11 ILE 37 -0.502 2.033 15.016 243 HG21 ILE 37 HG21 ILE 37 3.169 2.351 15.740 244 HG22 ILE 37 HG22 ILE 37 2.971 2.328 17.494 245 HG23 ILE 37 HG23 ILE 37 2.433 3.727 16.563 246 HD11 ILE 37 HD11 ILE 37 -0.428 4.274 16.007 247 HD12 ILE 37 HD12 ILE 37 -0.333 4.315 14.248 248 HD13 ILE 37 HD13 ILE 37 1.120 4.566 15.216 249 H THR 38 HN THR 38 -0.879 0.462 15.067 250 HA THR 38 HA THR 38 -2.477 -0.597 17.288 251 HB THR 38 HB THR 38 -3.613 0.998 15.000 252 HG1 THR 38 HG1 THR 38 -2.369 1.977 17.375 253 HG21 THR 38 HG21 THR 38 -5.176 -0.196 16.459 254 HG22 THR 38 HG22 THR 38 -5.349 1.550 16.634 255 HG23 THR 38 HG23 THR 38 -4.495 0.620 17.865 256 H ARG 39 HN ARG 39 -1.061 -1.386 14.474 257 HA ARG 39 HA ARG 39 -1.426 -2.704 12.665 258 HB2 ARG 39 HB2 ARG 39 -3.710 -3.832 14.301 259 HB3 ARG 39 HB1 ARG 39 -2.927 -4.600 12.920 260 HG2 ARG 39 HG2 ARG 39 -1.026 -5.106 14.088 261 HG3 ARG 39 HG1 ARG 39 -1.266 -3.777 15.242 262 HD2 ARG 39 HD2 ARG 39 -1.619 -6.115 16.151 263 HD3 ARG 39 HD1 ARG 39 -2.951 -4.986 16.397 264 HE ARG 39 HE ARG 39 -3.380 -6.425 14.010 265 HH11 ARG 39 HH11 ARG 39 -3.323 -6.916 17.470 266 HH12 ARG 39 HH12 ARG 39 -4.515 -8.173 17.446 267 HH21 ARG 39 HH21 ARG 39 -4.960 -8.062 13.963 268 HH22 ARG 39 HH22 ARG 39 -5.473 -8.810 15.447 269 H GLN 40 HN GLN 40 -2.537 -0.174 13.036 270 HA GLN 40 HA GLN 40 -5.196 0.005 12.162 271 HB2 GLN 40 HB2 GLN 40 -4.517 2.465 11.854 272 HB3 GLN 40 HB1 GLN 40 -4.611 1.801 13.470 273 HG2 GLN 40 HG2 GLN 40 -2.558 2.549 13.791 274 HG3 GLN 40 HG1 GLN 40 -2.036 1.323 12.637 275 HE21 GLN 40 HE21 GLN 40 -3.592 2.620 10.547 276 HE22 GLN 40 HE22 GLN 40 -2.597 3.918 9.988 277 H THR 41 HN THR 41 -5.969 1.028 10.436 278 HA THR 41 HA THR 41 -4.364 0.747 7.984 279 HB THR 41 HB THR 41 -7.324 0.395 7.933 280 HG1 THR 41 HG1 THR 41 -5.552 -1.245 9.250 281 HG21 THR 41 HG21 THR 41 -4.944 -0.539 6.371 282 HG22 THR 41 HG22 THR 41 -6.311 0.429 5.808 283 HG23 THR 41 HG23 THR 41 -6.530 -1.289 6.156 284 H GLN 42 HN GLN 42 -4.745 2.291 6.360 285 HA GLN 42 HA GLN 42 -6.317 4.614 7.202 286 HB2 GLN 42 HB2 GLN 42 -4.134 4.572 5.125 287 HB3 GLN 42 HB1 GLN 42 -4.847 5.977 5.890 288 HG2 GLN 42 HG2 GLN 42 -2.672 5.721 6.785 289 HG3 GLN 42 HG1 GLN 42 -3.809 5.225 8.036 290 HE21 GLN 42 HE21 GLN 42 -3.295 3.118 5.391 291 HE22 GLN 42 HE22 GLN 42 -2.355 1.925 6.230 292 H TRP 43 HN TRP 43 -7.396 5.732 5.498 293 HA TRP 43 HA TRP 43 -8.313 3.976 3.323 294 HB2 TRP 43 HB2 TRP 43 -9.658 5.672 5.097 295 HB3 TRP 43 HB1 TRP 43 -9.678 6.514 3.554 296 HD1 TRP 43 HD1 TRP 43 -10.929 3.276 5.194 297 HE1 TRP 43 HE1 TRP 43 -12.800 2.281 3.726 298 HE3 TRP 43 HE3 TRP 43 -10.605 6.462 1.209 299 HZ2 TRP 43 HZ2 TRP 43 -13.970 2.785 1.206 300 HZ3 TRP 43 HZ3 TRP 43 -12.132 6.134 -0.692 301 HH2 TRP 43 HH2 TRP 43 -13.780 4.332 -0.691 302 H ASP 44 HN ASP 44 -6.340 6.464 4.137 303 HA ASP 44 HA ASP 44 -6.366 8.139 1.862 304 HB2 ASP 44 HB2 ASP 44 -5.272 8.684 4.049 305 HB3 ASP 44 HB1 ASP 44 -4.014 7.512 3.669 306 HA PRO 45 HA PRO 45 -5.084 5.476 -1.371 307 HB2 PRO 45 HB2 PRO 45 -3.542 7.410 -2.725 308 HB3 PRO 45 HB1 PRO 45 -5.246 7.037 -2.991 309 HG2 PRO 45 HG2 PRO 45 -4.010 9.207 -1.374 310 HG3 PRO 45 HG1 PRO 45 -5.513 9.221 -2.313 311 HD2 PRO 45 HD2 PRO 45 -5.555 9.078 0.351 312 HD3 PRO 45 HD1 PRO 45 -6.713 8.150 -0.629 313 HA PRO 46 HA PRO 46 -0.957 4.530 0.242 314 HB2 PRO 46 HB2 PRO 46 -1.575 1.779 -0.293 315 HB3 PRO 46 HB1 PRO 46 -1.437 2.580 1.275 316 HG2 PRO 46 HG2 PRO 46 -3.792 1.599 0.275 317 HG3 PRO 46 HG1 PRO 46 -3.688 2.939 1.431 318 HD2 PRO 46 HD2 PRO 46 -4.056 3.034 -1.542 319 HD3 PRO 46 HD1 PRO 46 -4.863 3.987 -0.276 320 H THR 47 HN THR 47 0.272 2.197 -0.789 321 HA THR 47 HA THR 47 0.547 2.414 -3.609 322 HB THR 47 HB THR 47 3.024 3.090 -3.329 323 HG1 THR 47 HG1 THR 47 3.046 3.120 -1.039 324 HG21 THR 47 HG21 THR 47 1.014 4.364 -4.312 325 HG22 THR 47 HG22 THR 47 2.506 5.252 -3.973 326 HG23 THR 47 HG23 THR 47 1.138 5.361 -2.860 327 H TRP 48 HN TRP 48 1.339 0.773 -4.351 328 HA TRP 48 HA TRP 48 1.895 -1.560 -2.938 329 HB2 TRP 48 HB2 TRP 48 1.115 -1.505 -5.209 330 HB3 TRP 48 HB1 TRP 48 2.565 -0.677 -5.708 331 HD1 TRP 48 HD1 TRP 48 1.807 -4.075 -3.963 332 HE1 TRP 48 HE1 TRP 48 3.332 -5.863 -5.017 333 HE3 TRP 48 HE3 TRP 48 4.331 -1.129 -7.286 334 HZ2 TRP 48 HZ2 TRP 48 5.333 -6.004 -6.997 335 HZ3 TRP 48 HZ3 TRP 48 6.037 -2.167 -8.725 336 HH2 TRP 48 HH2 TRP 48 6.523 -4.556 -8.579 337 H GLU 49 HN GLU 49 3.781 1.087 -3.802 338 HA GLU 49 HA GLU 49 6.296 -0.201 -3.111 339 HB2 GLU 49 HB2 GLU 49 5.694 2.507 -4.296 340 HB3 GLU 49 HB1 GLU 49 7.305 1.846 -4.041 341 HG2 GLU 49 HG2 GLU 49 5.310 0.396 -5.745 342 HG3 GLU 49 HG1 GLU 49 6.206 1.765 -6.393 343 H SER 50 HN SER 50 7.694 1.941 -2.106 344 HA SER 50 HA SER 50 6.199 2.940 0.177 345 HB2 SER 50 HB2 SER 50 7.606 1.795 1.788 346 HB3 SER 50 HB1 SER 50 6.906 0.642 0.653 347 HG SER 50 HG SER 50 8.840 0.457 -0.395 348 HA PRO 51 HA PRO 51 9.588 5.818 -1.187 349 HB2 PRO 51 HB2 PRO 51 8.185 7.992 -1.585 350 HB3 PRO 51 HB1 PRO 51 8.073 6.662 -2.753 351 HG2 PRO 51 HG2 PRO 51 6.282 7.263 -0.422 352 HG3 PRO 51 HG1 PRO 51 5.808 7.045 -2.119 353 HD2 PRO 51 HD2 PRO 51 5.653 5.098 -0.308 354 HD3 PRO 51 HD1 PRO 51 6.106 4.762 -2.001 355 H GLY 52 HN GLY 52 8.514 5.192 1.542 356 HA2 GLY 52 HA2 GLY 52 9.024 6.000 3.654 357 HA3 GLY 52 HA1 GLY 52 9.490 7.512 2.899 358 H ASP 53 HN ASP 53 7.524 8.643 1.778 359 HA ASP 53 HA ASP 53 4.920 8.201 2.752 360 HB2 ASP 53 HB2 ASP 53 4.616 10.018 4.317 361 HB3 ASP 53 HB1 ASP 53 5.968 9.048 4.885 362 H ASP 54 HN ASP 54 6.309 8.670 0.410 363 HA ASP 54 HA ASP 54 5.609 11.397 -0.408 364 HB2 ASP 54 HB2 ASP 54 7.945 10.919 -0.629 365 HB3 ASP 54 HB1 ASP 54 7.623 9.370 -1.393 366 H ALA 55 HN ALA 55 5.018 11.451 -2.878 367 HA ALA 55 HA ALA 55 2.677 9.886 -3.236 368 HB1 ALA 55 HB1 ALA 55 2.795 12.166 -4.004 369 HB2 ALA 55 HB2 ALA 55 2.554 11.094 -5.375 370 HB3 ALA 55 HB3 ALA 55 4.144 11.773 -5.068 371 H SER 56 HN SER 56 5.892 9.224 -3.763 372 HA SER 56 HA SER 56 7.087 7.670 -4.847 373 HB2 SER 56 HB2 SER 56 6.024 5.455 -5.209 374 HB3 SER 56 HB1 SER 56 5.740 6.091 -3.589 375 HG SER 56 HG SER 56 3.800 6.827 -5.365 Start of MODEL 15 1 H1 GLY 9 HT1 GLY 9 14.930 10.836 -7.185 2 H2 GLY 9 HT2 GLY 9 13.466 10.098 -6.741 3 H3 GLY 9 HT3 GLY 9 14.632 9.220 -7.604 4 HA2 GLY 9 HA1 GLY 9 16.159 9.346 -5.745 5 HA3 GLY 9 HA2 GLY 9 14.971 10.288 -4.856 6 H SER 10 HN SER 10 13.272 9.274 -3.865 7 HA SER 10 HA SER 10 13.713 6.521 -3.231 8 HB2 SER 10 HB2 SER 10 11.491 8.402 -2.408 9 HB3 SER 10 HB1 SER 10 11.800 6.821 -1.692 10 HG SER 10 HG SER 10 12.950 8.022 -0.368 11 H LYS 11 HN LYS 11 13.295 5.299 -5.088 12 HA LYS 11 HA LYS 11 10.485 5.219 -5.930 13 HB2 LYS 11 HB2 LYS 11 12.173 5.206 -7.725 14 HB3 LYS 11 HB1 LYS 11 12.902 3.763 -7.036 15 HG2 LYS 11 HG2 LYS 11 10.935 2.466 -7.538 16 HG3 LYS 11 HG1 LYS 11 10.074 3.909 -8.074 17 HD2 LYS 11 HD2 LYS 11 12.542 2.741 -9.362 18 HD3 LYS 11 HD1 LYS 11 10.891 2.594 -9.971 19 HE2 LYS 11 HE2 LYS 11 10.786 5.060 -10.148 20 HE3 LYS 11 HE1 LYS 11 12.472 5.144 -9.641 21 HZ1 LYS 11 HZ1 LYS 11 13.074 3.845 -11.604 22 HZ2 LYS 11 HZ2 LYS 11 12.286 5.283 -12.030 23 HZ3 LYS 11 HZ3 LYS 11 11.450 3.811 -12.093 24 HA PRO 12 HA PRO 12 10.139 2.020 -2.878 25 HB2 PRO 12 HB2 PRO 12 7.551 1.594 -2.997 26 HB3 PRO 12 HB1 PRO 12 8.186 3.148 -2.433 27 HG2 PRO 12 HG2 PRO 12 7.308 2.369 -5.160 28 HG3 PRO 12 HG1 PRO 12 6.719 3.737 -4.199 29 HD2 PRO 12 HD2 PRO 12 8.604 4.103 -6.035 30 HD3 PRO 12 HD1 PRO 12 8.691 4.937 -4.466 31 H LYS 13 HN LYS 13 9.877 -0.122 -2.669 32 HA LYS 13 HA LYS 13 9.410 -1.705 -5.080 33 HB2 LYS 13 HB2 LYS 13 11.391 -2.445 -2.935 34 HB3 LYS 13 HB1 LYS 13 11.184 -3.202 -4.504 35 HG2 LYS 13 HG2 LYS 13 12.283 -0.445 -3.994 36 HG3 LYS 13 HG1 LYS 13 13.217 -1.878 -4.419 37 HD2 LYS 13 HD2 LYS 13 11.928 -1.997 -6.551 38 HD3 LYS 13 HD1 LYS 13 11.173 -0.459 -6.124 39 HE2 LYS 13 HE2 LYS 13 13.002 -0.020 -7.610 40 HE3 LYS 13 HE1 LYS 13 13.442 0.551 -6.001 41 HZ1 LYS 13 HZ1 LYS 13 14.298 -2.022 -7.220 42 HZ2 LYS 13 HZ2 LYS 13 14.726 -1.476 -5.679 43 HZ3 LYS 13 HZ3 LYS 13 15.268 -0.641 -7.050 44 H THR 14 HN THR 14 8.680 -3.963 -4.478 45 HA THR 14 HA THR 14 6.836 -3.852 -2.334 46 HB THR 14 HB THR 14 7.472 -6.463 -3.609 47 HG1 THR 14 HG1 THR 14 6.377 -4.191 -4.973 48 HG21 THR 14 HG21 THR 14 4.968 -4.922 -3.042 49 HG22 THR 14 HG22 THR 14 5.616 -6.234 -2.056 50 HG23 THR 14 HG23 THR 14 5.009 -6.561 -3.685 51 H ILE 15 HN ILE 15 8.499 -3.366 -0.797 52 HA ILE 15 HA ILE 15 10.019 -5.644 0.205 53 HB ILE 15 HB ILE 15 10.147 -2.870 1.310 54 HG12 ILE 15 HG12 ILE 15 11.549 -3.789 -1.200 55 HG13 ILE 15 HG11 ILE 15 10.130 -2.748 -1.205 56 HG21 ILE 15 HG21 ILE 15 11.450 -4.620 2.399 57 HG22 ILE 15 HG22 ILE 15 12.523 -3.470 1.597 58 HG23 ILE 15 HG23 ILE 15 12.201 -5.038 0.858 59 HD11 ILE 15 HD11 ILE 15 12.170 -1.454 -1.488 60 HD12 ILE 15 HD12 ILE 15 12.827 -2.110 0.014 61 HD13 ILE 15 HD13 ILE 15 11.409 -1.061 0.056 62 H VAL 16 HN VAL 16 9.523 -6.597 2.107 63 HA VAL 16 HA VAL 16 7.062 -5.723 3.405 64 HB VAL 16 HB VAL 16 8.601 -8.301 3.724 65 HG11 VAL 16 HG11 VAL 16 5.865 -7.525 4.727 66 HG12 VAL 16 HG12 VAL 16 7.306 -7.775 5.712 67 HG13 VAL 16 HG13 VAL 16 6.587 -9.132 4.846 68 HG21 VAL 16 HG21 VAL 16 6.656 -9.259 2.469 69 HG22 VAL 16 HG22 VAL 16 7.745 -8.236 1.535 70 HG23 VAL 16 HG23 VAL 16 6.189 -7.602 2.077 71 H LEU 17 HN LEU 17 7.387 -4.293 5.006 72 HA LEU 17 HA LEU 17 9.601 -4.365 6.805 73 HB2 LEU 17 HB2 LEU 17 6.905 -3.046 6.974 74 HB3 LEU 17 HB1 LEU 17 8.136 -2.841 8.185 75 HG LEU 17 HG LEU 17 9.537 -2.023 6.156 76 HD11 LEU 17 HD11 LEU 17 6.743 -1.504 5.189 77 HD12 LEU 17 HD12 LEU 17 7.913 -2.589 4.440 78 HD13 LEU 17 HD13 LEU 17 8.219 -0.852 4.477 79 HD21 LEU 17 HD21 LEU 17 9.088 -0.623 8.012 80 HD22 LEU 17 HD22 LEU 17 7.391 -0.467 7.561 81 HD23 LEU 17 HD23 LEU 17 8.642 0.286 6.565 82 HA PRO 18 HA PRO 18 8.572 -7.472 9.815 83 HB2 PRO 18 HB2 PRO 18 8.405 -5.181 11.740 84 HB3 PRO 18 HB1 PRO 18 9.227 -6.735 11.917 85 HG2 PRO 18 HG2 PRO 18 10.609 -4.544 11.329 86 HG3 PRO 18 HG1 PRO 18 11.009 -6.097 10.572 87 HD2 PRO 18 HD2 PRO 18 9.664 -3.718 9.410 88 HD3 PRO 18 HD1 PRO 18 10.682 -4.939 8.623 89 HA PRO 19 HA PRO 19 4.426 -7.725 8.493 90 HB2 PRO 19 HB2 PRO 19 4.122 -8.718 11.302 91 HB3 PRO 19 HB1 PRO 19 3.421 -9.358 9.811 92 HG2 PRO 19 HG2 PRO 19 5.792 -10.245 10.962 93 HG3 PRO 19 HG1 PRO 19 5.324 -10.492 9.273 94 HD2 PRO 19 HD2 PRO 19 7.515 -8.970 10.210 95 HD3 PRO 19 HD1 PRO 19 6.875 -8.988 8.553 96 H ASN 20 HN ASN 20 4.859 -5.136 9.054 97 HA ASN 20 HA ASN 20 2.395 -4.049 9.128 98 HB2 ASN 20 HB2 ASN 20 2.474 -4.882 11.566 99 HB3 ASN 20 HB1 ASN 20 3.468 -3.493 11.866 100 HD21 ASN 20 HD21 ASN 20 1.106 -3.824 13.121 101 HD22 ASN 20 HD22 ASN 20 0.036 -2.605 12.533 102 H TRP 21 HN TRP 21 2.502 -1.624 9.891 103 HA TRP 21 HA TRP 21 3.424 0.464 9.413 104 HB2 TRP 21 HB2 TRP 21 5.310 -0.559 10.773 105 HB3 TRP 21 HB1 TRP 21 6.028 -0.972 9.242 106 HD1 TRP 21 HD1 TRP 21 5.957 1.755 7.691 107 HE1 TRP 21 HE1 TRP 21 7.210 3.826 8.548 108 HE3 TRP 21 HE3 TRP 21 6.449 0.420 12.601 109 HZ2 TRP 21 HZ2 TRP 21 8.283 4.764 10.977 110 HZ3 TRP 21 HZ3 TRP 21 7.616 1.960 14.125 111 HH2 TRP 21 HH2 TRP 21 8.516 4.091 13.328 112 H LYS 22 HN LYS 22 3.154 -1.956 7.499 113 HA LYS 22 HA LYS 22 4.707 -0.963 5.216 114 HB2 LYS 22 HB2 LYS 22 4.212 -3.465 4.494 115 HB3 LYS 22 HB1 LYS 22 5.573 -3.028 5.522 116 HG2 LYS 22 HG2 LYS 22 4.506 -3.697 7.431 117 HG3 LYS 22 HG1 LYS 22 2.910 -3.671 6.675 118 HD2 LYS 22 HD2 LYS 22 5.153 -5.653 6.179 119 HD3 LYS 22 HD1 LYS 22 3.642 -5.975 7.027 120 HE2 LYS 22 HE2 LYS 22 2.491 -5.313 4.837 121 HE3 LYS 22 HE1 LYS 22 4.085 -5.474 4.100 122 HZ1 LYS 22 HZ1 LYS 22 2.516 -7.585 5.476 123 HZ2 LYS 22 HZ2 LYS 22 4.134 -7.779 5.031 124 HZ3 LYS 22 HZ3 LYS 22 2.956 -7.532 3.837 125 H THR 23 HN THR 23 3.901 -1.651 3.100 126 HA THR 23 HA THR 23 1.029 -1.389 2.787 127 HB THR 23 HB THR 23 1.575 -0.522 0.523 128 HG1 THR 23 HG1 THR 23 3.645 -0.265 -0.097 129 HG21 THR 23 HG21 THR 23 2.789 0.951 2.849 130 HG22 THR 23 HG22 THR 23 1.133 1.095 2.247 131 HG23 THR 23 HG23 THR 23 2.483 1.679 1.268 132 H ALA 24 HN ALA 24 0.121 -3.007 1.964 133 HA ALA 24 HA ALA 24 1.543 -4.958 0.303 134 HB1 ALA 24 HB1 ALA 24 1.312 -6.466 1.919 135 HB2 ALA 24 HB2 ALA 24 -0.421 -6.363 1.640 136 HB3 ALA 24 HB3 ALA 24 0.322 -5.369 2.881 137 H ARG 25 HN ARG 25 -0.142 -6.401 -0.838 138 HA ARG 25 HA ARG 25 -2.657 -4.959 -1.281 139 HB2 ARG 25 HB2 ARG 25 -1.261 -6.347 -3.468 140 HB3 ARG 25 HB1 ARG 25 -2.697 -5.400 -3.605 141 HG2 ARG 25 HG2 ARG 25 -1.457 -3.381 -3.258 142 HG3 ARG 25 HG1 ARG 25 0.023 -4.301 -2.943 143 HD2 ARG 25 HD2 ARG 25 -1.555 -4.549 -5.486 144 HD3 ARG 25 HD1 ARG 25 -0.226 -3.385 -5.298 145 HE ARG 25 HE ARG 25 0.967 -5.655 -4.565 146 HH11 ARG 25 HH11 ARG 25 -0.966 -4.896 -7.398 147 HH12 ARG 25 HH12 ARG 25 -0.346 -6.235 -8.322 148 HH21 ARG 25 HH21 ARG 25 1.814 -7.355 -5.793 149 HH22 ARG 25 HH22 ARG 25 1.258 -7.618 -7.419 150 H ASP 26 HN ASP 26 -4.385 -6.174 -1.487 151 HA ASP 26 HA ASP 26 -4.344 -8.969 -0.925 152 HB2 ASP 26 HB2 ASP 26 -6.482 -7.090 -1.960 153 HB3 ASP 26 HB1 ASP 26 -6.768 -8.820 -1.792 154 HA PRO 27 HA PRO 27 -3.142 -10.963 -4.510 155 HB2 PRO 27 HB2 PRO 27 -5.863 -12.167 -4.781 156 HB3 PRO 27 HB1 PRO 27 -4.276 -12.949 -4.803 157 HG2 PRO 27 HG2 PRO 27 -5.775 -13.073 -2.629 158 HG3 PRO 27 HG1 PRO 27 -4.026 -12.797 -2.492 159 HD2 PRO 27 HD2 PRO 27 -6.282 -10.873 -2.168 160 HD3 PRO 27 HD1 PRO 27 -4.731 -10.951 -1.309 161 H GLU 28 HN GLU 28 -5.950 -9.010 -4.818 162 HA GLU 28 HA GLU 28 -6.220 -9.327 -7.673 163 HB2 GLU 28 HB2 GLU 28 -8.037 -7.758 -7.472 164 HB3 GLU 28 HB1 GLU 28 -8.155 -8.937 -6.173 165 HG2 GLU 28 HG2 GLU 28 -6.958 -7.241 -4.714 166 HG3 GLU 28 HG1 GLU 28 -7.251 -6.087 -6.017 167 H GLY 29 HN GLY 29 -4.213 -7.451 -5.647 168 HA2 GLY 29 HA2 GLY 29 -2.525 -6.050 -6.561 169 HA3 GLY 29 HA1 GLY 29 -3.587 -5.699 -7.917 170 H LYS 30 HN LYS 30 -5.218 -5.633 -4.962 171 HA LYS 30 HA LYS 30 -5.326 -2.711 -5.074 172 HB2 LYS 30 HB2 LYS 30 -7.445 -4.087 -5.002 173 HB3 LYS 30 HB1 LYS 30 -6.992 -4.586 -3.379 174 HG2 LYS 30 HG2 LYS 30 -7.006 -2.192 -2.707 175 HG3 LYS 30 HG1 LYS 30 -7.628 -1.799 -4.310 176 HD2 LYS 30 HD2 LYS 30 -9.546 -3.325 -3.872 177 HD3 LYS 30 HD1 LYS 30 -8.945 -3.533 -2.225 178 HE2 LYS 30 HE2 LYS 30 -10.619 -1.871 -2.100 179 HE3 LYS 30 HE1 LYS 30 -9.081 -1.020 -1.993 180 HZ1 LYS 30 HZ1 LYS 30 -10.838 -1.241 -4.376 181 HZ2 LYS 30 HZ2 LYS 30 -9.285 -0.565 -4.410 182 HZ3 LYS 30 HZ3 LYS 30 -10.504 0.160 -3.476 183 H ILE 31 HN ILE 31 -4.267 -1.510 -3.754 184 HA ILE 31 HA ILE 31 -2.463 -2.790 -1.911 185 HB ILE 31 HB ILE 31 -1.936 -0.955 -3.585 186 HG12 ILE 31 HG12 ILE 31 -0.557 -1.750 -1.492 187 HG13 ILE 31 HG11 ILE 31 -0.062 -0.327 -2.371 188 HG21 ILE 31 HG21 ILE 31 -2.199 1.361 -2.783 189 HG22 ILE 31 HG22 ILE 31 -3.183 0.758 -1.449 190 HG23 ILE 31 HG23 ILE 31 -3.733 0.559 -3.113 191 HD11 ILE 31 HD11 ILE 31 0.023 -0.110 0.088 192 HD12 ILE 31 HD12 ILE 31 -1.736 -0.248 0.080 193 HD13 ILE 31 HD13 ILE 31 -0.960 1.111 -0.725 194 H TYR 32 HN TYR 32 -2.154 -2.176 0.230 195 HA TYR 32 HA TYR 32 -4.169 -0.687 1.640 196 HB2 TYR 32 HB2 TYR 32 -4.060 -3.684 1.787 197 HB3 TYR 32 HB1 TYR 32 -4.439 -2.767 3.240 198 HD1 TYR 32 HD2 TYR 32 -6.404 -1.082 3.073 199 HD2 TYR 32 HD1 TYR 32 -5.726 -4.199 0.257 200 HE1 TYR 32 HE2 TYR 32 -8.752 -0.940 2.353 201 HE2 TYR 32 HE1 TYR 32 -8.067 -4.065 -0.469 202 HH TYR 32 HH TYR 32 -10.216 -3.328 0.390 203 H TYR 33 HN TYR 33 -3.439 -0.196 3.754 204 HA TYR 33 HA TYR 33 -0.671 -0.917 4.192 205 HB2 TYR 33 HB2 TYR 33 -0.568 1.198 3.190 206 HB3 TYR 33 HB1 TYR 33 -1.908 1.825 4.123 207 HD1 TYR 33 HD1 TYR 33 1.667 0.967 4.144 208 HD2 TYR 33 HD2 TYR 33 -1.496 2.843 6.274 209 HE1 TYR 33 HE1 TYR 33 3.311 2.078 5.585 210 HE2 TYR 33 HE2 TYR 33 0.143 3.951 7.736 211 HH TYR 33 HH TYR 33 3.448 4.097 6.979 212 H TYR 34 HN TYR 34 -0.025 -0.749 6.285 213 HA TYR 34 HA TYR 34 -1.960 -0.124 8.346 214 HB2 TYR 34 HB2 TYR 34 -1.004 -2.384 9.493 215 HB3 TYR 34 HB1 TYR 34 -2.529 -2.293 8.629 216 HD1 TYR 34 HD1 TYR 34 0.983 -3.391 8.401 217 HD2 TYR 34 HD2 TYR 34 -2.854 -3.434 6.563 218 HE1 TYR 34 HE1 TYR 34 1.730 -5.178 6.890 219 HE2 TYR 34 HE2 TYR 34 -2.114 -5.221 5.045 220 HH TYR 34 HH TYR 34 -0.122 -6.185 4.164 221 H HIS 35 HN HIS 35 -1.023 0.460 10.299 222 HA HIS 35 HA HIS 35 1.907 0.701 10.147 223 HB2 HIS 35 HB2 HIS 35 0.474 2.853 9.900 224 HB3 HIS 35 HB1 HIS 35 0.173 2.678 11.624 225 HD1 HIS 35 HD1 HIS 35 2.744 3.762 9.177 226 HD2 HIS 35 HD2 HIS 35 2.454 3.104 13.272 227 HE1 HIS 35 HE1 HIS 35 4.767 4.862 10.189 228 HE2 HIS 35 HE2 HIS 35 4.468 4.610 12.681 229 H VAL 36 HN VAL 36 3.029 -0.093 11.748 230 HA VAL 36 HA VAL 36 2.085 -2.008 13.435 231 HB VAL 36 HB VAL 36 4.538 -0.373 14.048 232 HG11 VAL 36 HG11 VAL 36 3.945 -1.965 15.786 233 HG12 VAL 36 HG12 VAL 36 5.405 -2.487 14.941 234 HG13 VAL 36 HG13 VAL 36 3.858 -3.261 14.595 235 HG21 VAL 36 HG21 VAL 36 5.374 -0.991 12.097 236 HG22 VAL 36 HG22 VAL 36 3.906 -1.912 11.689 237 HG23 VAL 36 HG23 VAL 36 5.233 -2.677 12.601 238 H ILE 37 HN ILE 37 1.975 1.354 14.113 239 HA ILE 37 HA ILE 37 2.475 1.454 16.840 240 HB ILE 37 HB ILE 37 0.945 3.496 16.825 241 HG12 ILE 37 HG12 ILE 37 0.963 2.987 13.844 242 HG13 ILE 37 HG11 ILE 37 -0.438 2.707 14.876 243 HG21 ILE 37 HG21 ILE 37 2.565 4.827 15.578 244 HG22 ILE 37 HG22 ILE 37 3.210 3.358 14.846 245 HG23 ILE 37 HG23 ILE 37 3.365 3.619 16.584 246 HD11 ILE 37 HD11 ILE 37 -0.614 4.819 13.707 247 HD12 ILE 37 HD12 ILE 37 0.920 5.356 14.394 248 HD13 ILE 37 HD13 ILE 37 -0.473 5.086 15.444 249 H THR 38 HN THR 38 -0.690 1.197 15.288 250 HA THR 38 HA THR 38 -1.841 0.340 17.844 251 HB THR 38 HB THR 38 -3.454 1.427 15.542 252 HG1 THR 38 HG1 THR 38 -3.053 3.459 16.164 253 HG21 THR 38 HG21 THR 38 -3.921 1.385 18.531 254 HG22 THR 38 HG22 THR 38 -4.649 0.284 17.362 255 HG23 THR 38 HG23 THR 38 -5.041 2.004 17.319 256 H ARG 39 HN ARG 39 -0.558 -0.777 15.170 257 HA ARG 39 HA ARG 39 -0.825 -2.477 13.679 258 HB2 ARG 39 HB2 ARG 39 -2.933 -3.510 15.585 259 HB3 ARG 39 HB1 ARG 39 -1.984 -4.445 14.429 260 HG2 ARG 39 HG2 ARG 39 -0.090 -4.379 15.706 261 HG3 ARG 39 HG1 ARG 39 -0.558 -2.862 16.503 262 HD2 ARG 39 HD2 ARG 39 -0.640 -4.818 18.017 263 HD3 ARG 39 HD1 ARG 39 -2.209 -4.040 17.822 264 HE ARG 39 HE ARG 39 -1.613 -6.361 16.144 265 HH11 ARG 39 HH11 ARG 39 -3.299 -5.005 18.891 266 HH12 ARG 39 HH12 ARG 39 -4.442 -6.309 19.014 267 HH21 ARG 39 HH21 ARG 39 -3.093 -8.090 16.296 268 HH22 ARG 39 HH22 ARG 39 -4.324 -8.070 17.528 269 H GLN 40 HN GLN 40 -2.135 -0.095 13.348 270 HA GLN 40 HA GLN 40 -4.908 -0.502 12.797 271 HB2 GLN 40 HB2 GLN 40 -4.747 1.927 12.074 272 HB3 GLN 40 HB1 GLN 40 -4.510 1.574 13.772 273 HG2 GLN 40 HG2 GLN 40 -2.521 2.539 13.700 274 HG3 GLN 40 HG1 GLN 40 -2.038 1.374 12.465 275 HE21 GLN 40 HE21 GLN 40 -4.169 2.339 10.699 276 HE22 GLN 40 HE22 GLN 40 -3.580 3.819 10.007 277 H THR 41 HN THR 41 -5.916 -0.033 11.029 278 HA THR 41 HA THR 41 -4.379 -0.158 8.526 279 HB THR 41 HB THR 41 -7.132 -1.296 8.646 280 HG1 THR 41 HG1 THR 41 -4.793 -2.714 9.483 281 HG21 THR 41 HG21 THR 41 -4.607 -1.701 7.099 282 HG22 THR 41 HG22 THR 41 -6.213 -1.271 6.499 283 HG23 THR 41 HG23 THR 41 -5.888 -2.916 7.054 284 H GLN 42 HN GLN 42 -5.366 1.021 6.757 285 HA GLN 42 HA GLN 42 -7.313 2.994 7.729 286 HB2 GLN 42 HB2 GLN 42 -6.370 4.664 6.335 287 HB3 GLN 42 HB1 GLN 42 -5.047 3.902 7.163 288 HG2 GLN 42 HG2 GLN 42 -5.864 3.293 4.357 289 HG3 GLN 42 HG1 GLN 42 -4.554 4.375 4.819 290 HE21 GLN 42 HE21 GLN 42 -3.637 2.784 7.012 291 HE22 GLN 42 HE22 GLN 42 -2.896 1.356 6.353 292 H TRP 43 HN TRP 43 -8.375 4.104 5.909 293 HA TRP 43 HA TRP 43 -9.626 2.091 4.189 294 HB2 TRP 43 HB2 TRP 43 -10.421 4.588 5.507 295 HB3 TRP 43 HB1 TRP 43 -11.005 4.420 3.865 296 HD1 TRP 43 HD1 TRP 43 -13.244 3.160 3.660 297 HE1 TRP 43 HE1 TRP 43 -14.582 1.531 5.144 298 HE3 TRP 43 HE3 TRP 43 -9.878 2.586 7.472 299 HZ2 TRP 43 HZ2 TRP 43 -14.238 0.177 7.603 300 HZ3 TRP 43 HZ3 TRP 43 -10.458 1.104 9.346 301 HH2 TRP 43 HH2 TRP 43 -12.596 -0.074 9.406 302 H ASP 44 HN ASP 44 -7.382 4.563 4.157 303 HA ASP 44 HA ASP 44 -7.827 5.278 1.346 304 HB2 ASP 44 HB2 ASP 44 -7.508 7.158 2.834 305 HB3 ASP 44 HB1 ASP 44 -6.013 6.466 3.455 306 HA PRO 45 HA PRO 45 -4.560 2.271 0.376 307 HB2 PRO 45 HB2 PRO 45 -5.327 3.016 -2.373 308 HB3 PRO 45 HB1 PRO 45 -5.298 1.421 -1.612 309 HG2 PRO 45 HG2 PRO 45 -7.608 2.645 -2.187 310 HG3 PRO 45 HG1 PRO 45 -7.422 1.661 -0.722 311 HD2 PRO 45 HD2 PRO 45 -7.341 4.644 -1.024 312 HD3 PRO 45 HD1 PRO 45 -8.143 3.662 0.222 313 HA PRO 46 HA PRO 46 -1.918 5.874 -0.014 314 HB2 PRO 46 HB2 PRO 46 0.256 4.056 0.697 315 HB3 PRO 46 HB1 PRO 46 -0.379 5.444 1.582 316 HG2 PRO 46 HG2 PRO 46 -0.748 2.918 2.432 317 HG3 PRO 46 HG1 PRO 46 -1.959 4.191 2.687 318 HD2 PRO 46 HD2 PRO 46 -1.899 2.031 0.602 319 HD3 PRO 46 HD1 PRO 46 -3.262 2.603 1.590 320 H THR 47 HN THR 47 -0.369 2.783 -1.116 321 HA THR 47 HA THR 47 0.808 4.357 -3.300 322 HB THR 47 HB THR 47 2.834 2.886 -2.903 323 HG1 THR 47 HG1 THR 47 2.982 1.867 -0.915 324 HG21 THR 47 HG21 THR 47 2.846 5.214 -2.292 325 HG22 THR 47 HG22 THR 47 3.664 4.282 -1.039 326 HG23 THR 47 HG23 THR 47 2.017 4.865 -0.776 327 H TRP 48 HN TRP 48 2.366 2.054 -3.800 328 HA TRP 48 HA TRP 48 0.593 0.108 -4.974 329 HB2 TRP 48 HB2 TRP 48 0.650 1.878 -6.594 330 HB3 TRP 48 HB1 TRP 48 2.383 1.990 -6.464 331 HD1 TRP 48 HD1 TRP 48 -0.208 -0.690 -7.571 332 HE1 TRP 48 HE1 TRP 48 0.756 -1.939 -9.608 333 HE3 TRP 48 HE3 TRP 48 4.331 1.641 -7.868 334 HZ2 TRP 48 HZ2 TRP 48 3.135 -1.926 -11.136 335 HZ3 TRP 48 HZ3 TRP 48 5.887 0.965 -9.644 336 HH2 TRP 48 HH2 TRP 48 5.304 -0.782 -11.244 337 H GLU 49 HN GLU 49 3.442 1.317 -3.806 338 HA GLU 49 HA GLU 49 4.786 -1.250 -3.769 339 HB2 GLU 49 HB2 GLU 49 5.772 1.355 -4.857 340 HB3 GLU 49 HB1 GLU 49 6.900 0.203 -4.180 341 HG2 GLU 49 HG2 GLU 49 4.963 -0.382 -6.398 342 HG3 GLU 49 HG1 GLU 49 6.651 0.068 -6.647 343 H SER 50 HN SER 50 7.156 0.333 -2.658 344 HA SER 50 HA SER 50 6.310 1.284 -0.116 345 HB2 SER 50 HB2 SER 50 5.600 -0.969 0.291 346 HB3 SER 50 HB1 SER 50 7.117 -1.609 -0.344 347 HG SER 50 HG SER 50 7.204 -1.637 1.894 348 HA PRO 51 HA PRO 51 10.765 2.064 -0.345 349 HB2 PRO 51 HB2 PRO 51 10.750 4.524 0.511 350 HB3 PRO 51 HB1 PRO 51 10.062 4.185 -1.088 351 HG2 PRO 51 HG2 PRO 51 8.665 4.489 1.537 352 HG3 PRO 51 HG1 PRO 51 8.267 5.275 0.001 353 HD2 PRO 51 HD2 PRO 51 7.061 3.024 0.973 354 HD3 PRO 51 HD1 PRO 51 7.171 3.406 -0.763 355 H GLY 52 HN GLY 52 8.959 0.954 1.821 356 HA2 GLY 52 HA2 GLY 52 9.125 0.391 4.053 357 HA3 GLY 52 HA1 GLY 52 10.701 1.177 4.081 358 H ASP 53 HN ASP 53 7.829 2.745 2.967 359 HA ASP 53 HA ASP 53 6.700 4.599 3.599 360 HB2 ASP 53 HB2 ASP 53 6.053 3.183 5.546 361 HB3 ASP 53 HB1 ASP 53 7.458 3.779 6.421 362 H ASP 54 HN ASP 54 8.392 5.700 2.517 363 HA ASP 54 HA ASP 54 10.213 7.179 4.272 364 HB2 ASP 54 HB2 ASP 54 11.488 5.443 3.233 365 HB3 ASP 54 HB1 ASP 54 10.814 5.805 1.653 366 H ALA 55 HN ALA 55 9.906 7.291 0.767 367 HA ALA 55 HA ALA 55 8.587 9.911 0.971 368 HB1 ALA 55 HB1 ALA 55 10.904 9.280 -0.859 369 HB2 ALA 55 HB2 ALA 55 10.983 10.280 0.590 370 HB3 ALA 55 HB3 ALA 55 10.018 10.802 -0.788 371 H SER 56 HN SER 56 7.706 7.179 0.380 372 HA SER 56 HA SER 56 6.357 7.746 -2.144 373 HB2 SER 56 HB2 SER 56 7.716 5.116 -1.490 374 HB3 SER 56 HB1 SER 56 6.724 5.409 -2.913 375 HG SER 56 HG SER 56 8.523 7.329 -2.852
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