NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
13290 | 1uhp | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 -21.115 -16.603 -15.117 2 1HA GLY 1 1HA GLY 1 -19.446 -14.920 -15.729 3 2HA GLY 1 2HA GLY 1 -20.371 -13.755 -14.803 4 H SER 2 H SER 2 -17.789 -13.920 -14.066 5 HA SER 2 HA SER 2 -18.015 -14.933 -11.428 6 1HB SER 2 1HB SER 2 -17.207 -16.886 -13.032 7 2HB SER 2 2HB SER 2 -15.667 -16.053 -12.971 8 HG SER 2 HG SER 2 -17.013 -16.550 -10.501 9 H SER 3 H SER 3 -17.393 -13.019 -10.465 10 HA SER 3 HA SER 3 -14.713 -12.165 -10.927 11 1HB SER 3 1HB SER 3 -17.059 -10.329 -11.578 12 2HB SER 3 2HB SER 3 -15.420 -9.755 -11.343 13 HG SER 3 HG SER 3 -16.349 -10.424 -13.630 14 H GLY 4 H GLY 4 -14.098 -12.258 -8.784 15 1HA GLY 4 1HA GLY 4 -14.018 -10.931 -6.781 16 2HA GLY 4 2HA GLY 4 -15.759 -10.748 -6.861 17 H SER 5 H SER 5 -14.941 -11.620 -4.479 18 HA SER 5 HA SER 5 -16.033 -14.229 -4.392 19 1HB SER 5 1HB SER 5 -13.176 -14.002 -4.545 20 2HB SER 5 2HB SER 5 -13.566 -14.473 -2.903 21 HG SER 5 HG SER 5 -14.541 -16.349 -3.613 22 H SER 6 H SER 6 -13.819 -12.050 -2.481 23 HA SER 6 HA SER 6 -15.965 -11.578 -0.645 24 1HB SER 6 1HB SER 6 -14.674 -13.729 0.071 25 2HB SER 6 2HB SER 6 -13.358 -12.650 0.487 26 HG SER 6 HG SER 6 -15.091 -13.255 2.185 27 H GLY 7 H GLY 7 -15.075 -9.997 1.187 28 1HA GLY 7 1HA GLY 7 -14.241 -7.950 1.603 29 2HA GLY 7 2HA GLY 7 -12.732 -8.581 0.975 30 H LYS 8 H LYS 8 -12.888 -6.006 0.494 31 HA LYS 8 HA LYS 8 -13.767 -5.841 -2.301 32 1HB LYS 8 1HB LYS 8 -14.480 -4.115 0.000 33 2HB LYS 8 2HB LYS 8 -14.000 -3.264 -1.454 34 1HG LYS 8 1HG LYS 8 -16.089 -3.622 -2.261 35 2HG LYS 8 2HG LYS 8 -15.677 -5.319 -2.405 36 1HD LYS 8 1HD LYS 8 -16.371 -5.587 0.057 37 2HD LYS 8 2HD LYS 8 -16.993 -3.950 -0.017 38 1HE LYS 8 1HE LYS 8 -18.906 -4.695 -0.979 39 2HE LYS 8 2HE LYS 8 -17.997 -5.350 -2.326 40 1HZ LYS 8 1HZ LYS 8 -17.916 -6.879 0.114 41 2HZ LYS 8 2HZ LYS 8 -19.354 -6.845 -0.658 42 3HZ LYS 8 3HZ LYS 8 -18.024 -7.390 -1.433 43 H SER 9 H SER 9 -12.484 -4.355 -3.632 44 HA SER 9 HA SER 9 -9.832 -4.003 -2.467 45 1HB SER 9 1HB SER 9 -8.877 -4.412 -4.675 46 2HB SER 9 2HB SER 9 -9.926 -5.749 -4.250 47 HG SER 9 HG SER 9 -11.537 -4.049 -5.491 48 H LEU 10 H LEU 10 -9.077 -1.905 -2.409 49 HA LEU 10 HA LEU 10 -10.477 0.027 -4.125 50 1HB LEU 10 1HB LEU 10 -9.269 0.967 -1.597 51 2HB LEU 10 2HB LEU 10 -10.722 1.490 -2.426 52 HG LEU 10 HG LEU 10 -11.513 0.561 -0.446 53 1HD1 LEU 10 1HD1 LEU 10 -12.161 -0.666 -2.849 54 2HD1 LEU 10 2HD1 LEU 10 -11.886 -2.026 -1.734 55 3HD1 LEU 10 3HD1 LEU 10 -13.073 -0.764 -1.323 56 1HD2 LEU 10 1HD2 LEU 10 -9.135 -1.091 -0.612 57 2HD2 LEU 10 2HD2 LEU 10 -10.110 -0.626 0.802 58 3HD2 LEU 10 3HD2 LEU 10 -10.567 -2.050 -0.163 59 H THR 11 H THR 11 -9.154 1.911 -4.786 60 HA THR 11 HA THR 11 -6.329 1.113 -5.023 61 HB THR 11 HB THR 11 -7.717 3.086 -6.856 62 HG1 THR 11 HG1 THR 11 -9.169 1.312 -6.852 63 1HG2 THR 11 1HG2 THR 11 -5.650 0.852 -7.206 64 2HG2 THR 11 2HG2 THR 11 -6.332 1.797 -8.551 65 3HG2 THR 11 3HG2 THR 11 -5.343 2.602 -7.310 66 H LEU 12 H LEU 12 -4.685 2.542 -4.543 67 HA LEU 12 HA LEU 12 -5.511 5.176 -3.593 68 1HB LEU 12 1HB LEU 12 -3.484 4.136 -1.860 69 2HB LEU 12 2HB LEU 12 -5.058 4.803 -1.472 70 HG LEU 12 HG LEU 12 -5.761 2.301 -2.315 71 1HD1 LEU 12 1HD1 LEU 12 -3.922 1.042 -2.493 72 2HD1 LEU 12 2HD1 LEU 12 -2.916 2.206 -1.598 73 3HD1 LEU 12 3HD1 LEU 12 -3.928 1.039 -0.713 74 1HD2 LEU 12 1HD2 LEU 12 -5.136 2.180 0.490 75 2HD2 LEU 12 2HD2 LEU 12 -5.756 3.796 0.076 76 3HD2 LEU 12 3HD2 LEU 12 -6.715 2.348 -0.314 77 H VAL 13 H VAL 13 -4.079 6.796 -4.133 78 HA VAL 13 HA VAL 13 -1.783 5.908 -5.708 79 HB VAL 13 HB VAL 13 -3.748 7.592 -6.367 80 1HG1 VAL 13 1HG1 VAL 13 -1.607 9.424 -5.235 81 2HG1 VAL 13 2HG1 VAL 13 -3.062 9.916 -6.135 82 3HG1 VAL 13 3HG1 VAL 13 -3.220 9.166 -4.528 83 1HG2 VAL 13 1HG2 VAL 13 -2.477 8.155 -8.216 84 2HG2 VAL 13 2HG2 VAL 13 -0.984 8.354 -7.266 85 3HG2 VAL 13 3HG2 VAL 13 -1.606 6.723 -7.617 86 H LEU 14 H LEU 14 0.170 5.874 -4.735 87 HA LEU 14 HA LEU 14 0.529 7.670 -2.441 88 1HB LEU 14 1HB LEU 14 2.047 5.143 -3.094 89 2HB LEU 14 2HB LEU 14 2.176 6.110 -1.638 90 HG LEU 14 HG LEU 14 -0.173 4.417 -2.518 91 1HD1 LEU 14 1HD1 LEU 14 0.302 3.035 -0.673 92 2HD1 LEU 14 2HD1 LEU 14 1.876 3.356 -1.438 93 3HD1 LEU 14 3HD1 LEU 14 1.414 4.226 0.044 94 1HD2 LEU 14 1HD2 LEU 14 -1.042 5.150 -0.163 95 2HD2 LEU 14 2HD2 LEU 14 -0.010 6.574 -0.439 96 3HD2 LEU 14 3HD2 LEU 14 -1.316 6.186 -1.584 97 H HIS 15 H HIS 15 2.641 8.726 -2.208 98 HA HIS 15 HA HIS 15 4.093 8.907 -4.734 99 1HB HIS 15 1HB HIS 15 3.014 11.217 -3.102 100 2HB HIS 15 2HB HIS 15 4.282 11.400 -4.297 101 HD1 HIS 15 HD1 HIS 15 3.511 11.911 -6.623 102 HD2 HIS 15 HD2 HIS 15 0.528 10.044 -4.340 103 HE1 HIS 15 HE1 HIS 15 1.416 11.874 -8.078 104 H ARG 16 H ARG 16 6.164 10.492 -4.154 105 HA ARG 16 HA ARG 16 7.183 9.404 -1.653 106 1HB ARG 16 1HB ARG 16 8.502 9.643 -4.383 107 2HB ARG 16 2HB ARG 16 9.488 9.592 -2.935 108 1HG ARG 16 1HG ARG 16 8.103 7.457 -2.307 109 2HG ARG 16 2HG ARG 16 7.589 7.461 -3.983 110 1HD ARG 16 1HD ARG 16 10.542 7.627 -3.271 111 2HD ARG 16 2HD ARG 16 9.724 6.078 -3.328 112 HE ARG 16 HE ARG 16 9.040 7.374 -5.731 113 1HH1 ARG 16 1HH1 ARG 16 11.995 6.294 -4.154 114 2HH1 ARG 16 2HH1 ARG 16 12.842 6.026 -5.641 115 1HH2 ARG 16 1HH2 ARG 16 10.157 7.021 -7.693 116 2HH2 ARG 16 2HH2 ARG 16 11.789 6.442 -7.668 117 H ASP 17 H ASP 17 7.332 11.130 -0.243 118 HA ASP 17 HA ASP 17 7.511 13.761 -1.179 119 1HB ASP 17 1HB ASP 17 6.482 13.537 0.929 120 2HB ASP 17 2HB ASP 17 7.667 12.380 1.500 121 H SER 18 H SER 18 9.808 11.294 0.069 122 HA SER 18 HA SER 18 11.978 12.260 -1.220 123 1HB SER 18 1HB SER 18 11.456 13.718 1.312 124 2HB SER 18 2HB SER 18 13.083 13.078 1.187 125 HG SER 18 HG SER 18 11.824 14.648 -0.896 126 H GLY 19 H GLY 19 12.063 9.916 -1.384 127 1HA GLY 19 1HA GLY 19 12.702 7.844 -0.790 128 2HA GLY 19 2HA GLY 19 13.853 8.634 0.269 129 H SER 20 H SER 20 10.270 8.889 0.515 130 HA SER 20 HA SER 20 10.174 6.957 2.595 131 1HB SER 20 1HB SER 20 11.097 9.123 3.669 132 2HB SER 20 2HB SER 20 9.517 9.823 3.378 133 HG SER 20 HG SER 20 9.716 7.296 4.727 134 H LEU 21 H LEU 21 8.461 5.954 1.498 135 HA LEU 21 HA LEU 21 6.473 7.173 0.084 136 1HB LEU 21 1HB LEU 21 6.695 4.587 1.569 137 2HB LEU 21 2HB LEU 21 5.146 5.051 0.893 138 HG LEU 21 HG LEU 21 6.322 3.586 -0.630 139 1HD1 LEU 21 1HD1 LEU 21 6.702 5.989 -2.237 140 2HD1 LEU 21 2HD1 LEU 21 5.524 4.665 -2.408 141 3HD1 LEU 21 3HD1 LEU 21 5.185 6.022 -1.307 142 1HD2 LEU 21 1HD2 LEU 21 8.443 4.343 -1.729 143 2HD2 LEU 21 2HD2 LEU 21 8.555 5.625 -0.499 144 3HD2 LEU 21 3HD2 LEU 21 8.604 3.915 -0.009 145 H GLY 22 H GLY 22 6.805 6.764 3.617 146 1HA GLY 22 1HA GLY 22 5.830 8.397 5.041 147 2HA GLY 22 2HA GLY 22 4.478 8.547 3.936 148 H PHE 23 H PHE 23 5.926 5.396 4.826 149 HA PHE 23 HA PHE 23 4.182 4.839 6.951 150 1HB PHE 23 1HB PHE 23 2.515 3.522 5.808 151 2HB PHE 23 2HB PHE 23 2.686 4.934 4.783 152 HD1 PHE 23 HD1 PHE 23 2.029 1.721 4.448 153 HD2 PHE 23 HD2 PHE 23 5.092 4.405 3.253 154 HE1 PHE 23 HE1 PHE 23 2.567 0.239 2.495 155 HE2 PHE 23 HE2 PHE 23 5.629 2.923 1.300 156 HZ PHE 23 HZ PHE 23 4.360 0.857 0.944 157 H ASN 24 H ASN 24 4.018 2.204 7.114 158 HA ASN 24 HA ASN 24 6.590 1.186 6.214 159 1HB ASN 24 1HB ASN 24 5.489 1.375 9.010 160 2HB ASN 24 2HB ASN 24 6.311 -0.119 8.607 161 1HD2 ASN 24 1HD2 ASN 24 6.586 3.339 8.960 162 2HD2 ASN 24 2HD2 ASN 24 8.314 3.451 9.007 163 H ILE 25 H ILE 25 6.606 -1.287 6.211 164 HA ILE 25 HA ILE 25 3.880 -2.372 6.101 165 HB ILE 25 HB ILE 25 4.956 -3.877 4.264 166 1HG1 ILE 25 1HG1 ILE 25 6.522 -1.438 3.549 167 2HG1 ILE 25 2HG1 ILE 25 7.204 -2.508 4.758 168 1HG2 ILE 25 1HG2 ILE 25 4.421 -1.168 3.187 169 2HG2 ILE 25 2HG2 ILE 25 3.689 -2.739 2.782 170 3HG2 ILE 25 3HG2 ILE 25 3.166 -1.863 4.240 171 1HD1 ILE 25 1HD1 ILE 25 6.883 -2.923 1.854 172 2HD1 ILE 25 2HD1 ILE 25 7.983 -3.726 3.000 173 3HD1 ILE 25 3HD1 ILE 25 6.308 -4.302 2.821 174 H ILE 26 H ILE 26 3.814 -4.777 6.426 175 HA ILE 26 HA ILE 26 6.116 -5.709 7.978 176 HB ILE 26 HB ILE 26 4.848 -6.368 9.787 177 1HG1 ILE 26 1HG1 ILE 26 2.280 -5.875 8.255 178 2HG1 ILE 26 2HG1 ILE 26 3.049 -7.443 8.403 179 1HG2 ILE 26 1HG2 ILE 26 3.260 -3.905 9.168 180 2HG2 ILE 26 2HG2 ILE 26 4.072 -4.397 10.674 181 3HG2 ILE 26 3HG2 ILE 26 5.031 -3.792 9.302 182 1HD1 ILE 26 1HD1 ILE 26 2.257 -5.738 10.806 183 2HD1 ILE 26 2HD1 ILE 26 1.224 -7.010 10.110 184 3HD1 ILE 26 3HD1 ILE 26 2.799 -7.433 10.823 185 H GLY 27 H GLY 27 6.007 -8.164 8.292 186 1HA GLY 27 1HA GLY 27 5.143 -10.236 7.527 187 2HA GLY 27 2HA GLY 27 4.576 -9.458 6.063 188 H GLY 28 H GLY 28 5.910 -11.588 5.396 189 1HA GLY 28 1HA GLY 28 7.621 -12.287 4.103 190 2HA GLY 28 2HA GLY 28 8.245 -10.650 4.076 191 H ARG 29 H ARG 29 8.321 -13.791 5.727 192 HA ARG 29 HA ARG 29 10.453 -12.763 7.412 193 1HB ARG 29 1HB ARG 29 8.230 -14.466 7.959 194 2HB ARG 29 2HB ARG 29 9.636 -15.511 8.017 195 1HG ARG 29 1HG ARG 29 10.648 -13.451 9.443 196 2HG ARG 29 2HG ARG 29 8.950 -13.148 9.755 197 1HD ARG 29 1HD ARG 29 8.713 -15.029 11.067 198 2HD ARG 29 2HD ARG 29 9.743 -16.006 10.040 199 HE ARG 29 HE ARG 29 11.565 -15.462 11.400 200 1HH1 ARG 29 1HH1 ARG 29 9.000 -13.114 11.939 201 2HH1 ARG 29 2HH1 ARG 29 9.817 -12.332 13.250 202 1HH2 ARG 29 1HH2 ARG 29 12.644 -14.430 13.130 203 2HH2 ARG 29 2HH2 ARG 29 11.904 -13.085 13.932 204 HA PRO 30 HA PRO 30 13.193 -15.159 4.986 205 1HB PRO 30 1HB PRO 30 15.439 -14.983 6.534 206 2HB PRO 30 2HB PRO 30 14.943 -13.726 5.419 207 1HG PRO 30 1HG PRO 30 14.746 -13.770 8.368 208 2HG PRO 30 2HG PRO 30 14.661 -12.397 7.283 209 1HD PRO 30 1HD PRO 30 12.461 -13.679 8.604 210 2HD PRO 30 2HD PRO 30 12.366 -12.382 7.430 211 H SER 31 H SER 31 11.515 -16.896 5.723 212 HA SER 31 HA SER 31 13.223 -18.991 6.713 213 1HB SER 31 1HB SER 31 11.987 -17.935 8.700 214 2HB SER 31 2HB SER 31 10.496 -18.513 7.984 215 HG SER 31 HG SER 31 11.676 -19.916 9.652 216 H VAL 32 H VAL 32 13.044 -20.503 5.100 217 HA VAL 32 HA VAL 32 10.415 -20.780 3.825 218 HB VAL 32 HB VAL 32 11.586 -21.625 1.910 219 1HG1 VAL 32 1HG1 VAL 32 11.419 -19.291 1.790 220 2HG1 VAL 32 2HG1 VAL 32 12.635 -19.041 3.066 221 3HG1 VAL 32 3HG1 VAL 32 13.139 -19.607 1.455 222 1HG2 VAL 32 1HG2 VAL 32 14.278 -21.260 2.211 223 2HG2 VAL 32 2HG2 VAL 32 13.827 -21.879 3.817 224 3HG2 VAL 32 3HG2 VAL 32 13.443 -22.825 2.359 225 H ASP 33 H ASP 33 10.043 -21.969 6.041 226 HA ASP 33 HA ASP 33 11.318 -24.422 6.402 227 1HB ASP 33 1HB ASP 33 9.079 -22.906 7.573 228 2HB ASP 33 2HB ASP 33 8.757 -24.629 7.570 229 H ASN 34 H ASN 34 10.548 -26.582 5.868 230 HA ASN 34 HA ASN 34 9.517 -27.005 3.465 231 1HB ASN 34 1HB ASN 34 9.511 -28.594 6.024 232 2HB ASN 34 2HB ASN 34 8.486 -29.198 4.737 233 1HD2 ASN 34 1HD2 ASN 34 9.983 -31.017 4.883 234 2HD2 ASN 34 2HD2 ASN 34 11.446 -30.999 3.955 235 H HIS 35 H HIS 35 7.365 -27.462 2.582 236 HA HIS 35 HA HIS 35 5.324 -25.897 3.694 237 1HB HIS 35 1HB HIS 35 5.486 -27.877 1.431 238 2HB HIS 35 2HB HIS 35 3.944 -27.196 1.907 239 HD1 HIS 35 HD1 HIS 35 7.308 -25.377 1.669 240 HD2 HIS 35 HD2 HIS 35 3.498 -25.365 -0.087 241 HE1 HIS 35 HE1 HIS 35 7.258 -23.379 0.081 242 H ASP 36 H ASP 36 3.844 -26.346 5.253 243 HA ASP 36 HA ASP 36 2.796 -28.935 5.539 244 1HB ASP 36 1HB ASP 36 5.170 -28.289 7.070 245 2HB ASP 36 2HB ASP 36 3.818 -28.410 8.179 246 H GLY 37 H GLY 37 3.654 -25.902 7.372 247 1HA GLY 37 1HA GLY 37 0.795 -25.625 8.090 248 2HA GLY 37 2HA GLY 37 2.123 -25.164 9.137 249 H SER 38 H SER 38 1.875 -22.941 9.288 250 HA SER 38 HA SER 38 0.892 -21.256 7.478 251 1HB SER 38 1HB SER 38 3.037 -20.958 9.578 252 2HB SER 38 2HB SER 38 2.717 -19.599 8.519 253 HG SER 38 HG SER 38 1.122 -20.709 10.566 254 H SER 39 H SER 39 1.408 -20.689 5.396 255 HA SER 39 HA SER 39 4.225 -20.711 4.700 256 1HB SER 39 1HB SER 39 1.994 -22.006 3.072 257 2HB SER 39 2HB SER 39 3.619 -21.743 2.473 258 HG SER 39 HG SER 39 3.982 -23.689 3.309 259 H SER 40 H SER 40 4.461 -19.612 2.374 260 HA SER 40 HA SER 40 4.227 -17.843 1.140 261 1HB SER 40 1HB SER 40 1.326 -18.280 1.886 262 2HB SER 40 2HB SER 40 1.775 -16.863 0.958 263 HG SER 40 HG SER 40 2.992 -18.614 -0.421 264 H GLU 41 H GLU 41 4.100 -15.443 1.239 265 HA GLU 41 HA GLU 41 3.864 -14.557 4.009 266 1HB GLU 41 1HB GLU 41 5.715 -13.577 1.795 267 2HB GLU 41 2HB GLU 41 5.527 -12.754 3.331 268 1HG GLU 41 1HG GLU 41 6.517 -15.614 2.920 269 2HG GLU 41 2HG GLU 41 7.486 -14.242 3.418 270 H GLY 42 H GLY 42 3.425 -12.051 4.124 271 1HA GLY 42 1HA GLY 42 1.725 -11.154 1.904 272 2HA GLY 42 2HA GLY 42 1.011 -11.314 3.497 273 H ILE 43 H ILE 43 1.352 -8.840 1.932 274 HA ILE 43 HA ILE 43 3.255 -7.440 3.679 275 HB ILE 43 HB ILE 43 2.302 -6.623 0.933 276 1HG1 ILE 43 1HG1 ILE 43 3.595 -8.608 0.640 277 2HG1 ILE 43 2HG1 ILE 43 4.603 -7.244 0.197 278 1HG2 ILE 43 1HG2 ILE 43 2.937 -4.640 1.875 279 2HG2 ILE 43 2HG2 ILE 43 4.103 -5.403 2.982 280 3HG2 ILE 43 3HG2 ILE 43 4.509 -5.205 1.260 281 1HD1 ILE 43 1HD1 ILE 43 4.823 -9.088 2.553 282 2HD1 ILE 43 2HD1 ILE 43 6.105 -8.357 1.560 283 3HD1 ILE 43 3HD1 ILE 43 5.287 -7.389 2.809 284 H PHE 44 H PHE 44 2.345 -6.202 5.223 285 HA PHE 44 HA PHE 44 -0.273 -5.038 4.609 286 1HB PHE 44 1HB PHE 44 0.766 -6.467 7.126 287 2HB PHE 44 2HB PHE 44 -0.697 -5.502 7.139 288 HD1 PHE 44 HD1 PHE 44 0.849 -8.433 5.446 289 HD2 PHE 44 HD2 PHE 44 -2.740 -6.476 6.587 290 HE1 PHE 44 HE1 PHE 44 -0.477 -10.431 4.705 291 HE2 PHE 44 HE2 PHE 44 -4.065 -8.475 5.845 292 HZ PHE 44 HZ PHE 44 -2.918 -10.428 4.913 293 H VAL 45 H VAL 45 -0.805 -3.160 6.102 294 HA VAL 45 HA VAL 45 1.662 -1.659 6.566 295 HB VAL 45 HB VAL 45 -1.217 -0.794 6.228 296 1HG1 VAL 45 1HG1 VAL 45 -0.652 1.142 7.179 297 2HG1 VAL 45 2HG1 VAL 45 1.022 0.582 7.410 298 3HG1 VAL 45 3HG1 VAL 45 0.555 1.390 5.894 299 1HG2 VAL 45 1HG2 VAL 45 -0.814 -0.461 4.034 300 2HG2 VAL 45 2HG2 VAL 45 0.844 0.120 4.320 301 3HG2 VAL 45 3HG2 VAL 45 0.508 -1.628 4.278 302 H SER 46 H SER 46 2.394 -1.432 8.612 303 HA SER 46 HA SER 46 0.449 -1.935 10.720 304 1HB SER 46 1HB SER 46 2.241 -3.522 10.853 305 2HB SER 46 2HB SER 46 3.461 -2.297 10.569 306 HG SER 46 HG SER 46 3.055 -1.406 12.650 307 H LYS 47 H LYS 47 2.443 0.451 9.173 308 HA LYS 47 HA LYS 47 1.700 2.361 11.236 309 1HB LYS 47 1HB LYS 47 4.199 1.306 11.354 310 2HB LYS 47 2HB LYS 47 4.486 2.636 10.250 311 1HG LYS 47 1HG LYS 47 2.904 3.102 12.797 312 2HG LYS 47 2HG LYS 47 4.655 3.047 12.854 313 1HD LYS 47 1HD LYS 47 3.966 4.714 10.626 314 2HD LYS 47 2HD LYS 47 2.933 5.207 11.953 315 1HE LYS 47 1HE LYS 47 5.923 4.803 12.359 316 2HE LYS 47 2HE LYS 47 5.290 6.320 11.749 317 1HZ LYS 47 1HZ LYS 47 3.720 5.762 13.875 318 2HZ LYS 47 2HZ LYS 47 5.197 5.281 14.379 319 3HZ LYS 47 3HZ LYS 47 4.969 6.814 13.863 320 H ILE 48 H ILE 48 1.822 4.621 10.433 321 HA ILE 48 HA ILE 48 2.199 4.940 7.598 322 HB ILE 48 HB ILE 48 -0.524 5.055 8.871 323 1HG1 ILE 48 1HG1 ILE 48 0.668 3.609 6.497 324 2HG1 ILE 48 2HG1 ILE 48 -0.029 2.916 7.948 325 1HG2 ILE 48 1HG2 ILE 48 -0.685 5.932 6.183 326 2HG2 ILE 48 2HG2 ILE 48 -1.084 6.829 7.667 327 3HG2 ILE 48 3HG2 ILE 48 0.558 6.922 6.985 328 1HD1 ILE 48 1HD1 ILE 48 -1.368 3.885 5.504 329 2HD1 ILE 48 2HD1 ILE 48 -1.956 2.754 6.747 330 3HD1 ILE 48 3HD1 ILE 48 -2.110 4.510 6.997 331 H VAL 49 H VAL 49 3.263 6.827 7.359 332 HA VAL 49 HA VAL 49 3.423 8.614 9.583 333 HB VAL 49 HB VAL 49 4.484 8.931 6.771 334 1HG1 VAL 49 1HG1 VAL 49 6.205 10.327 7.871 335 2HG1 VAL 49 2HG1 VAL 49 4.564 10.982 8.086 336 3HG1 VAL 49 3HG1 VAL 49 5.361 10.121 9.424 337 1HG2 VAL 49 1HG2 VAL 49 5.526 6.964 7.268 338 2HG2 VAL 49 2HG2 VAL 49 6.634 8.065 8.121 339 3HG2 VAL 49 3HG2 VAL 49 5.373 7.195 9.026 340 H ASP 50 H ASP 50 1.982 10.186 10.047 341 HA ASP 50 HA ASP 50 -0.179 10.719 8.456 342 1HB ASP 50 1HB ASP 50 1.180 12.108 10.761 343 2HB ASP 50 2HB ASP 50 -0.058 13.000 9.899 344 H SER 51 H SER 51 2.679 12.879 9.180 345 HA SER 51 HA SER 51 2.072 14.794 7.322 346 1HB SER 51 1HB SER 51 4.018 14.448 9.220 347 2HB SER 51 2HB SER 51 4.971 14.226 7.766 348 HG SER 51 HG SER 51 4.002 16.305 6.998 349 H GLY 52 H GLY 52 3.157 11.536 6.870 350 1HA GLY 52 1HA GLY 52 4.669 11.826 4.494 351 2HA GLY 52 2HA GLY 52 3.899 10.370 5.092 352 HA PRO 53 HA PRO 53 1.531 12.258 1.531 353 1HB PRO 53 1HB PRO 53 2.690 11.131 -0.672 354 2HB PRO 53 2HB PRO 53 3.052 12.756 -0.124 355 1HG PRO 53 1HG PRO 53 4.692 10.308 0.123 356 2HG PRO 53 2HG PRO 53 5.190 11.983 0.268 357 1HD PRO 53 1HD PRO 53 4.769 10.125 2.413 358 2HD PRO 53 2HD PRO 53 5.153 11.828 2.562 359 H ALA 54 H ALA 54 2.269 9.374 2.880 360 HA ALA 54 HA ALA 54 0.542 7.813 1.167 361 1HB ALA 54 1HB ALA 54 1.276 6.574 3.691 362 2HB ALA 54 2HB ALA 54 1.732 6.114 2.033 363 3HB ALA 54 3HB ALA 54 2.699 7.316 2.921 364 H ALA 55 H ALA 55 0.489 9.531 4.301 365 HA ALA 55 HA ALA 55 -2.165 8.480 4.860 366 1HB ALA 55 1HB ALA 55 -0.457 8.602 6.654 367 2HB ALA 55 2HB ALA 55 -0.359 10.365 6.429 368 3HB ALA 55 3HB ALA 55 -1.868 9.625 7.015 369 H LYS 56 H LYS 56 -0.484 11.339 3.615 370 HA LYS 56 HA LYS 56 -2.565 13.178 4.039 371 1HB LYS 56 1HB LYS 56 -0.203 13.093 2.155 372 2HB LYS 56 2HB LYS 56 -1.336 14.429 2.169 373 1HG LYS 56 1HG LYS 56 0.092 13.441 4.679 374 2HG LYS 56 2HG LYS 56 0.735 14.710 3.656 375 1HD LYS 56 1HD LYS 56 -1.660 15.811 3.969 376 2HD LYS 56 2HD LYS 56 -1.775 14.744 5.354 377 1HE LYS 56 1HE LYS 56 0.241 15.707 6.356 378 2HE LYS 56 2HE LYS 56 0.584 16.630 4.907 379 1HZ LYS 56 1HZ LYS 56 -1.342 17.144 6.970 380 2HZ LYS 56 2HZ LYS 56 -0.531 18.192 6.016 381 3HZ LYS 56 3HZ LYS 56 -1.869 17.444 5.453 382 H GLU 57 H GLU 57 -1.511 12.195 0.738 383 HA GLU 57 HA GLU 57 -4.337 12.060 0.077 384 1HB GLU 57 1HB GLU 57 -3.528 12.330 -2.297 385 2HB GLU 57 2HB GLU 57 -3.136 13.683 -1.255 386 1HG GLU 57 1HG GLU 57 -0.835 12.909 -0.985 387 2HG GLU 57 2HG GLU 57 -1.193 11.390 -1.783 388 H GLY 58 H GLY 58 -1.455 10.156 0.513 389 1HA GLY 58 1HA GLY 58 -1.411 8.115 -1.163 390 2HA GLY 58 2HA GLY 58 -1.323 7.876 0.571 391 H GLY 59 H GLY 59 -3.749 8.161 1.633 392 1HA GLY 59 1HA GLY 59 -6.016 7.619 1.439 393 2HA GLY 59 2HA GLY 59 -5.701 6.772 -0.062 394 H LEU 60 H LEU 60 -3.129 5.711 1.570 395 HA LEU 60 HA LEU 60 -4.038 3.169 1.992 396 1HB LEU 60 1HB LEU 60 -1.661 4.192 1.907 397 2HB LEU 60 2HB LEU 60 -1.838 4.375 3.641 398 HG LEU 60 HG LEU 60 -1.858 2.075 4.029 399 1HD1 LEU 60 1HD1 LEU 60 -2.633 1.769 1.128 400 2HD1 LEU 60 2HD1 LEU 60 -2.044 0.405 2.108 401 3HD1 LEU 60 3HD1 LEU 60 -3.526 1.269 2.585 402 1HD2 LEU 60 1HD2 LEU 60 0.358 2.795 3.424 403 2HD2 LEU 60 2HD2 LEU 60 0.085 1.157 2.784 404 3HD2 LEU 60 3HD2 LEU 60 0.010 2.562 1.694 405 H GLN 61 H GLN 61 -3.868 2.054 4.321 406 HA GLN 61 HA GLN 61 -5.033 3.701 6.351 407 1HB GLN 61 1HB GLN 61 -6.726 2.176 4.612 408 2HB GLN 61 2HB GLN 61 -6.731 1.366 6.166 409 1HG GLN 61 1HG GLN 61 -7.464 3.361 7.320 410 2HG GLN 61 2HG GLN 61 -7.129 4.377 5.932 411 1HE2 GLN 61 1HE2 GLN 61 -9.202 1.883 7.260 412 2HE2 GLN 61 2HE2 GLN 61 -10.561 2.111 6.211 413 H ILE 62 H ILE 62 -3.993 3.127 8.207 414 HA ILE 62 HA ILE 62 -2.170 1.185 8.476 415 HB ILE 62 HB ILE 62 -4.020 2.481 10.445 416 1HG1 ILE 62 1HG1 ILE 62 -1.931 3.519 9.187 417 2HG1 ILE 62 2HG1 ILE 62 -2.305 3.920 10.851 418 1HG2 ILE 62 1HG2 ILE 62 -2.523 1.498 12.242 419 2HG2 ILE 62 2HG2 ILE 62 -3.704 0.393 11.501 420 3HG2 ILE 62 3HG2 ILE 62 -1.992 0.318 11.021 421 1HD1 ILE 62 1HD1 ILE 62 -0.729 2.122 11.623 422 2HD1 ILE 62 2HD1 ILE 62 -0.309 1.805 9.923 423 3HD1 ILE 62 3HD1 ILE 62 0.081 3.379 10.657 424 H HIS 63 H HIS 63 -2.049 -1.009 8.888 425 HA HIS 63 HA HIS 63 -2.691 -3.101 9.052 426 1HB HIS 63 1HB HIS 63 -5.307 -2.013 10.130 427 2HB HIS 63 2HB HIS 63 -4.784 -3.683 10.217 428 HD1 HIS 63 HD1 HIS 63 -1.905 -3.434 11.205 429 HD2 HIS 63 HD2 HIS 63 -5.057 -1.098 12.690 430 HE1 HIS 63 HE1 HIS 63 -1.183 -2.649 13.523 431 H ASP 64 H ASP 64 -2.654 -2.208 6.547 432 HA ASP 64 HA ASP 64 -5.122 -3.295 5.443 433 1HB ASP 64 1HB ASP 64 -3.603 -0.796 4.772 434 2HB ASP 64 2HB ASP 64 -4.217 -1.709 3.408 435 H ARG 65 H ARG 65 -4.765 -4.917 3.864 436 HA ARG 65 HA ARG 65 -2.033 -5.690 3.523 437 1HB ARG 65 1HB ARG 65 -4.003 -7.292 3.993 438 2HB ARG 65 2HB ARG 65 -4.521 -7.014 2.342 439 1HG ARG 65 1HG ARG 65 -2.175 -7.743 1.592 440 2HG ARG 65 2HG ARG 65 -1.872 -8.226 3.249 441 1HD ARG 65 1HD ARG 65 -2.972 -10.185 2.917 442 2HD ARG 65 2HD ARG 65 -4.427 -9.326 2.456 443 HE ARG 65 HE ARG 65 -2.411 -9.411 0.329 444 1HH1 ARG 65 1HH1 ARG 65 -5.124 -11.099 1.803 445 2HH1 ARG 65 2HH1 ARG 65 -5.498 -12.008 0.377 446 1HH2 ARG 65 1HH2 ARG 65 -2.904 -10.610 -1.552 447 2HH2 ARG 65 2HH2 ARG 65 -4.227 -11.728 -1.545 448 H ILE 66 H ILE 66 -0.820 -4.971 1.802 449 HA ILE 66 HA ILE 66 -2.068 -3.569 -0.334 450 HB ILE 66 HB ILE 66 0.784 -4.481 -0.342 451 1HG1 ILE 66 1HG1 ILE 66 -0.509 -2.621 1.620 452 2HG1 ILE 66 2HG1 ILE 66 0.756 -3.808 1.870 453 1HG2 ILE 66 1HG2 ILE 66 -0.454 -1.827 -1.104 454 2HG2 ILE 66 2HG2 ILE 66 1.189 -2.413 -1.459 455 3HG2 ILE 66 3HG2 ILE 66 -0.217 -3.179 -2.237 456 1HD1 ILE 66 1HD1 ILE 66 0.997 -1.088 0.526 457 2HD1 ILE 66 2HD1 ILE 66 1.844 -1.675 1.978 458 3HD1 ILE 66 3HD1 ILE 66 2.259 -2.335 0.378 459 H ILE 67 H ILE 67 -2.632 -4.256 -2.362 460 HA ILE 67 HA ILE 67 -2.291 -7.122 -2.834 461 HB ILE 67 HB ILE 67 -4.081 -5.340 -4.436 462 1HG1 ILE 67 1HG1 ILE 67 -4.477 -4.787 -2.038 463 2HG1 ILE 67 2HG1 ILE 67 -5.860 -5.494 -2.849 464 1HG2 ILE 67 1HG2 ILE 67 -5.415 -7.366 -4.629 465 2HG2 ILE 67 2HG2 ILE 67 -3.733 -7.672 -5.126 466 3HG2 ILE 67 3HG2 ILE 67 -4.306 -8.225 -3.533 467 1HD1 ILE 67 1HD1 ILE 67 -4.966 -6.373 -0.445 468 2HD1 ILE 67 2HD1 ILE 67 -5.776 -7.443 -1.614 469 3HD1 ILE 67 3HD1 ILE 67 -3.999 -7.422 -1.509 470 H GLU 68 H GLU 68 -2.004 -3.897 -4.468 471 HA GLU 68 HA GLU 68 0.230 -5.000 -5.921 472 1HB GLU 68 1HB GLU 68 -2.334 -4.712 -7.126 473 2HB GLU 68 2HB GLU 68 -1.364 -3.393 -7.751 474 1HG GLU 68 1HG GLU 68 -0.515 -4.911 -9.220 475 2HG GLU 68 2HG GLU 68 0.427 -5.516 -7.872 476 H VAL 69 H VAL 69 1.627 -3.291 -6.869 477 HA VAL 69 HA VAL 69 1.003 -0.597 -5.945 478 HB VAL 69 HB VAL 69 2.528 -2.174 -4.389 479 1HG1 VAL 69 1HG1 VAL 69 4.464 -0.834 -6.307 480 2HG1 VAL 69 2HG1 VAL 69 4.912 -1.578 -4.753 481 3HG1 VAL 69 3HG1 VAL 69 4.242 -2.583 -6.061 482 1HG2 VAL 69 1HG2 VAL 69 3.724 0.401 -4.215 483 2HG2 VAL 69 2HG2 VAL 69 2.028 0.633 -4.702 484 3HG2 VAL 69 3HG2 VAL 69 2.412 -0.279 -3.222 485 H ASN 70 H ASN 70 1.138 0.680 -7.709 486 HA ASN 70 HA ASN 70 1.780 1.510 -9.605 487 1HB ASN 70 1HB ASN 70 4.126 1.216 -8.283 488 2HB ASN 70 2HB ASN 70 4.453 0.093 -9.588 489 1HD2 ASN 70 1HD2 ASN 70 4.409 3.306 -8.595 490 2HD2 ASN 70 2HD2 ASN 70 4.685 4.097 -10.110 491 H GLY 71 H GLY 71 0.871 -1.488 -9.232 492 1HA GLY 71 1HA GLY 71 0.031 -2.793 -10.992 493 2HA GLY 71 2HA GLY 71 1.339 -2.259 -12.029 494 H ARG 72 H ARG 72 2.787 -2.772 -9.058 495 HA ARG 72 HA ARG 72 3.693 -5.353 -9.958 496 1HB ARG 72 1HB ARG 72 4.890 -3.106 -8.611 497 2HB ARG 72 2HB ARG 72 4.989 -4.469 -7.513 498 1HG ARG 72 1HG ARG 72 5.794 -5.769 -9.716 499 2HG ARG 72 2HG ARG 72 6.201 -4.154 -10.262 500 1HD ARG 72 1HD ARG 72 7.350 -3.952 -7.859 501 2HD ARG 72 2HD ARG 72 7.335 -5.703 -7.921 502 HE ARG 72 HE ARG 72 8.395 -4.408 -10.345 503 1HH1 ARG 72 1HH1 ARG 72 9.153 -5.790 -7.199 504 2HH1 ARG 72 2HH1 ARG 72 10.815 -6.083 -7.586 505 1HH2 ARG 72 1HH2 ARG 72 10.588 -4.795 -10.856 506 2HH2 ARG 72 2HH2 ARG 72 11.637 -5.513 -9.680 507 H ASP 73 H ASP 73 3.068 -7.262 -8.964 508 HA ASP 73 HA ASP 73 1.164 -7.082 -6.880 509 1HB ASP 73 1HB ASP 73 0.753 -8.866 -8.353 510 2HB ASP 73 2HB ASP 73 2.450 -9.273 -8.501 511 H LEU 74 H LEU 74 1.569 -7.320 -4.655 512 HA LEU 74 HA LEU 74 4.157 -8.450 -3.886 513 1HB LEU 74 1HB LEU 74 3.054 -6.050 -2.471 514 2HB LEU 74 2HB LEU 74 4.679 -6.706 -2.444 515 HG LEU 74 HG LEU 74 3.449 -5.415 -4.891 516 1HD1 LEU 74 1HD1 LEU 74 5.048 -3.495 -4.217 517 2HD1 LEU 74 2HD1 LEU 74 3.472 -3.634 -3.401 518 3HD1 LEU 74 3HD1 LEU 74 4.950 -4.198 -2.585 519 1HD2 LEU 74 1HD2 LEU 74 5.490 -5.582 -5.916 520 2HD2 LEU 74 2HD2 LEU 74 6.389 -5.618 -4.380 521 3HD2 LEU 74 3HD2 LEU 74 5.508 -7.064 -4.930 522 H SER 75 H SER 75 1.019 -9.028 -3.989 523 HA SER 75 HA SER 75 0.121 -9.187 -1.412 524 1HB SER 75 1HB SER 75 -1.442 -9.568 -3.164 525 2HB SER 75 2HB SER 75 -0.448 -10.802 -3.912 526 HG SER 75 HG SER 75 -1.147 -11.445 -1.287 527 H ARG 76 H ARG 76 2.184 -11.436 -3.322 528 HA ARG 76 HA ARG 76 2.460 -13.021 -0.897 529 1HB ARG 76 1HB ARG 76 3.183 -14.884 -2.405 530 2HB ARG 76 2HB ARG 76 1.571 -14.321 -2.799 531 1HG ARG 76 1HG ARG 76 2.258 -13.289 -4.791 532 2HG ARG 76 2HG ARG 76 3.893 -13.024 -4.221 533 1HD ARG 76 1HD ARG 76 4.604 -15.157 -4.814 534 2HD ARG 76 2HD ARG 76 3.048 -15.891 -4.481 535 HE ARG 76 HE ARG 76 2.861 -14.088 -6.741 536 1HH1 ARG 76 1HH1 ARG 76 3.978 -17.294 -5.814 537 2HH1 ARG 76 2HH1 ARG 76 3.810 -17.953 -7.407 538 1HH2 ARG 76 1HH2 ARG 76 2.639 -14.957 -8.843 539 2HH2 ARG 76 2HH2 ARG 76 3.043 -16.615 -9.141 540 H ALA 77 H ALA 77 3.870 -10.445 -1.807 541 HA ALA 77 HA ALA 77 6.576 -11.424 -2.261 542 1HB ALA 77 1HB ALA 77 7.058 -8.993 -2.578 543 2HB ALA 77 2HB ALA 77 5.780 -9.590 -3.663 544 3HB ALA 77 3HB ALA 77 5.351 -8.636 -2.223 545 H THR 78 H THR 78 8.286 -9.969 -0.945 546 HA THR 78 HA THR 78 7.430 -10.117 1.872 547 HB THR 78 HB THR 78 9.094 -11.853 1.192 548 HG1 THR 78 HG1 THR 78 10.345 -9.613 2.604 549 1HG2 THR 78 1HG2 THR 78 10.201 -10.441 -0.646 550 2HG2 THR 78 2HG2 THR 78 10.953 -9.483 0.652 551 3HG2 THR 78 3HG2 THR 78 11.339 -11.213 0.484 552 H HIS 79 H HIS 79 8.811 -8.668 3.343 553 HA HIS 79 HA HIS 79 8.274 -6.071 2.735 554 1HB HIS 79 1HB HIS 79 8.813 -7.026 4.974 555 2HB HIS 79 2HB HIS 79 10.505 -7.081 4.521 556 HD1 HIS 79 HD1 HIS 79 11.841 -4.870 4.554 557 HD2 HIS 79 HD2 HIS 79 7.764 -4.396 5.421 558 HE1 HIS 79 HE1 HIS 79 11.569 -2.491 5.434 559 H ASP 80 H ASP 80 11.249 -7.981 2.063 560 HA ASP 80 HA ASP 80 12.862 -5.927 1.286 561 1HB ASP 80 1HB ASP 80 12.878 -8.760 1.194 562 2HB ASP 80 2HB ASP 80 13.131 -8.267 -0.469 563 H GLN 81 H GLN 81 10.631 -8.020 -0.696 564 HA GLN 81 HA GLN 81 11.129 -6.667 -3.082 565 1HB GLN 81 1HB GLN 81 9.017 -8.589 -2.102 566 2HB GLN 81 2HB GLN 81 8.777 -7.787 -3.641 567 1HG GLN 81 1HG GLN 81 11.495 -8.682 -3.626 568 2HG GLN 81 2HG GLN 81 10.539 -10.012 -3.002 569 1HE2 GLN 81 1HE2 GLN 81 8.804 -10.847 -4.234 570 2HE2 GLN 81 2HE2 GLN 81 8.755 -10.695 -5.959 571 H ALA 82 H ALA 82 8.400 -6.473 -0.694 572 HA ALA 82 HA ALA 82 6.865 -4.604 -1.973 573 1HB ALA 82 1HB ALA 82 7.419 -4.914 1.006 574 2HB ALA 82 2HB ALA 82 6.020 -4.077 0.292 575 3HB ALA 82 3HB ALA 82 6.219 -5.831 0.063 576 H VAL 83 H VAL 83 9.609 -4.048 0.338 577 HA VAL 83 HA VAL 83 9.505 -1.284 0.285 578 HB VAL 83 HB VAL 83 11.725 -3.272 0.736 579 1HG1 VAL 83 1HG1 VAL 83 11.857 -0.268 1.168 580 2HG1 VAL 83 2HG1 VAL 83 13.101 -1.456 1.625 581 3HG1 VAL 83 3HG1 VAL 83 12.726 -1.177 -0.092 582 1HG2 VAL 83 1HG2 VAL 83 11.224 -3.137 2.963 583 2HG2 VAL 83 2HG2 VAL 83 10.655 -1.454 2.850 584 3HG2 VAL 83 3HG2 VAL 83 9.611 -2.785 2.297 585 H GLU 84 H GLU 84 11.557 -3.536 -1.701 586 HA GLU 84 HA GLU 84 12.740 -1.596 -3.211 587 1HB GLU 84 1HB GLU 84 13.445 -3.960 -3.197 588 2HB GLU 84 2HB GLU 84 11.961 -4.439 -3.997 589 1HG GLU 84 1HG GLU 84 12.640 -3.633 -6.063 590 2HG GLU 84 2HG GLU 84 13.541 -2.299 -5.372 591 H ALA 85 H ALA 85 9.599 -3.307 -3.706 592 HA ALA 85 HA ALA 85 9.009 -2.332 -6.221 593 1HB ALA 85 1HB ALA 85 7.274 -3.089 -3.844 594 2HB ALA 85 2HB ALA 85 6.612 -2.715 -5.453 595 3HB ALA 85 3HB ALA 85 7.712 -4.098 -5.243 596 H PHE 86 H PHE 86 8.076 -0.975 -2.978 597 HA PHE 86 HA PHE 86 6.901 1.324 -4.053 598 1HB PHE 86 1HB PHE 86 8.087 0.401 -1.397 599 2HB PHE 86 2HB PHE 86 7.571 2.069 -1.546 600 HD1 PHE 86 HD1 PHE 86 6.560 -1.133 -0.604 601 HD2 PHE 86 HD2 PHE 86 5.115 2.352 -2.547 602 HE1 PHE 86 HE1 PHE 86 4.203 -1.815 -0.075 603 HE2 PHE 86 HE2 PHE 86 2.758 1.670 -2.019 604 HZ PHE 86 HZ PHE 86 2.330 -0.406 -0.789 605 H LYS 87 H LYS 87 10.254 0.415 -3.432 606 HA LYS 87 HA LYS 87 11.213 3.106 -3.346 607 1HB LYS 87 1HB LYS 87 12.504 1.565 -2.144 608 2HB LYS 87 2HB LYS 87 12.475 0.374 -3.428 609 1HG LYS 87 1HG LYS 87 13.914 1.795 -4.844 610 2HG LYS 87 2HG LYS 87 13.857 3.088 -3.662 611 1HD LYS 87 1HD LYS 87 14.804 0.383 -2.726 612 2HD LYS 87 2HD LYS 87 15.888 1.316 -3.739 613 1HE LYS 87 1HE LYS 87 15.185 3.287 -2.022 614 2HE LYS 87 2HE LYS 87 14.886 1.922 -0.964 615 1HZ LYS 87 1HZ LYS 87 17.355 2.972 -1.859 616 2HZ LYS 87 2HZ LYS 87 17.051 1.967 -0.609 617 3HZ LYS 87 3HZ LYS 87 17.269 1.361 -2.110 618 H THR 88 H THR 88 11.194 0.421 -5.782 619 HA THR 88 HA THR 88 12.270 2.178 -7.797 620 HB THR 88 HB THR 88 11.996 0.091 -9.194 621 HG1 THR 88 HG1 THR 88 10.135 -0.830 -8.238 622 1HG2 THR 88 1HG2 THR 88 13.159 -1.513 -7.351 623 2HG2 THR 88 2HG2 THR 88 14.055 -0.175 -8.110 624 3HG2 THR 88 3HG2 THR 88 13.342 0.036 -6.493 625 H ALA 89 H ALA 89 9.255 1.908 -6.353 626 HA ALA 89 HA ALA 89 7.590 1.996 -8.628 627 1HB ALA 89 1HB ALA 89 6.636 1.357 -6.542 628 2HB ALA 89 2HB ALA 89 7.286 2.794 -5.716 629 3HB ALA 89 3HB ALA 89 5.963 2.967 -6.895 630 H LYS 90 H LYS 90 6.484 3.837 -9.558 631 HA LYS 90 HA LYS 90 7.939 6.351 -9.112 632 1HB LYS 90 1HB LYS 90 7.239 4.904 -11.627 633 2HB LYS 90 2HB LYS 90 7.119 6.652 -11.644 634 1HG LYS 90 1HG LYS 90 9.592 5.165 -10.650 635 2HG LYS 90 2HG LYS 90 9.401 5.697 -12.309 636 1HD LYS 90 1HD LYS 90 9.048 8.064 -11.442 637 2HD LYS 90 2HD LYS 90 9.417 7.482 -9.830 638 1HE LYS 90 1HE LYS 90 11.681 7.039 -10.356 639 2HE LYS 90 2HE LYS 90 11.365 6.899 -12.073 640 1HZ LYS 90 1HZ LYS 90 11.049 9.426 -10.618 641 2HZ LYS 90 2HZ LYS 90 12.447 8.991 -11.342 642 3HZ LYS 90 3HZ LYS 90 11.098 9.208 -12.236 643 H GLU 91 H GLU 91 6.680 8.313 -9.294 644 HA GLU 91 HA GLU 91 3.969 7.820 -8.466 645 1HB GLU 91 1HB GLU 91 5.290 10.542 -8.694 646 2HB GLU 91 2HB GLU 91 3.975 10.062 -7.641 647 1HG GLU 91 1HG GLU 91 5.605 9.824 -6.056 648 2HG GLU 91 2HG GLU 91 5.922 8.288 -6.839 649 HA PRO 92 HA PRO 92 2.265 8.832 -8.335 650 1HB PRO 92 1HB PRO 92 -0.270 8.166 -9.110 651 2HB PRO 92 2HB PRO 92 0.242 9.818 -8.824 652 1HG PRO 92 1HG PRO 92 -0.234 8.444 -11.398 653 2HG PRO 92 2HG PRO 92 -0.142 10.164 -11.072 654 1HD PRO 92 1HD PRO 92 1.886 8.536 -12.283 655 2HD PRO 92 2HD PRO 92 2.020 10.229 -11.850 656 H ILE 93 H ILE 93 1.978 7.102 -6.953 657 HA ILE 93 HA ILE 93 2.501 4.580 -8.324 658 HB ILE 93 HB ILE 93 2.720 5.364 -5.415 659 1HG1 ILE 93 1HG1 ILE 93 5.032 4.718 -7.227 660 2HG1 ILE 93 2HG1 ILE 93 4.341 6.329 -7.235 661 1HG2 ILE 93 1HG2 ILE 93 2.737 3.193 -4.959 662 2HG2 ILE 93 2HG2 ILE 93 2.621 2.776 -6.686 663 3HG2 ILE 93 3HG2 ILE 93 4.215 3.042 -5.940 664 1HD1 ILE 93 1HD1 ILE 93 4.932 5.093 -4.555 665 2HD1 ILE 93 2HD1 ILE 93 6.305 5.658 -5.537 666 3HD1 ILE 93 3HD1 ILE 93 5.022 6.797 -5.062 667 H VAL 94 H VAL 94 0.746 3.419 -8.899 668 HA VAL 94 HA VAL 94 -1.729 3.826 -7.475 669 HB VAL 94 HB VAL 94 -1.028 2.008 -9.789 670 1HG1 VAL 94 1HG1 VAL 94 -3.726 2.986 -8.791 671 2HG1 VAL 94 2HG1 VAL 94 -3.440 1.966 -10.221 672 3HG1 VAL 94 3HG1 VAL 94 -3.075 1.341 -8.595 673 1HG2 VAL 94 1HG2 VAL 94 -2.283 3.869 -11.082 674 2HG2 VAL 94 2HG2 VAL 94 -1.916 4.890 -9.671 675 3HG2 VAL 94 3HG2 VAL 94 -0.592 4.157 -10.607 676 H VAL 95 H VAL 95 -2.035 2.814 -5.558 677 HA VAL 95 HA VAL 95 -1.019 0.063 -5.360 678 HB VAL 95 HB VAL 95 -1.534 1.633 -2.903 679 1HG1 VAL 95 1HG1 VAL 95 -0.692 -0.490 -2.473 680 2HG1 VAL 95 2HG1 VAL 95 0.417 -0.449 -3.865 681 3HG1 VAL 95 3HG1 VAL 95 0.776 0.515 -2.412 682 1HG2 VAL 95 1HG2 VAL 95 0.717 2.720 -3.039 683 2HG2 VAL 95 2HG2 VAL 95 0.790 2.252 -4.755 684 3HG2 VAL 95 3HG2 VAL 95 -0.472 3.373 -4.191 685 H GLN 96 H GLN 96 -2.377 -1.463 -4.211 686 HA GLN 96 HA GLN 96 -5.104 -0.509 -3.863 687 1HB GLN 96 1HB GLN 96 -5.129 -1.598 -6.020 688 2HB GLN 96 2HB GLN 96 -4.194 -2.956 -5.426 689 1HG GLN 96 1HG GLN 96 -6.071 -4.027 -4.736 690 2HG GLN 96 2HG GLN 96 -6.557 -2.651 -3.766 691 1HE2 GLN 96 1HE2 GLN 96 -6.451 -3.867 -7.095 692 2HE2 GLN 96 2HE2 GLN 96 -7.911 -3.122 -7.656 693 H VAL 97 H VAL 97 -6.222 -1.423 -2.100 694 HA VAL 97 HA VAL 97 -4.710 -3.434 -0.583 695 HB VAL 97 HB VAL 97 -5.605 -2.268 1.460 696 1HG1 VAL 97 1HG1 VAL 97 -3.920 -0.230 1.040 697 2HG1 VAL 97 2HG1 VAL 97 -3.358 -1.901 1.283 698 3HG1 VAL 97 3HG1 VAL 97 -3.480 -1.234 -0.363 699 1HG2 VAL 97 1HG2 VAL 97 -7.094 -0.802 -0.357 700 2HG2 VAL 97 2HG2 VAL 97 -6.845 -0.401 1.360 701 3HG2 VAL 97 3HG2 VAL 97 -5.803 0.329 0.115 702 H LEU 98 H LEU 98 -6.177 -4.626 1.015 703 HA LEU 98 HA LEU 98 -8.793 -4.992 -0.270 704 1HB LEU 98 1HB LEU 98 -6.687 -6.834 0.463 705 2HB LEU 98 2HB LEU 98 -8.183 -7.250 1.274 706 HG LEU 98 HG LEU 98 -9.345 -7.555 -0.773 707 1HD1 LEU 98 1HD1 LEU 98 -7.358 -7.073 -2.780 708 2HD1 LEU 98 2HD1 LEU 98 -8.967 -6.336 -2.584 709 3HD1 LEU 98 3HD1 LEU 98 -7.551 -5.610 -1.785 710 1HD2 LEU 98 1HD2 LEU 98 -8.383 -9.566 -0.745 711 2HD2 LEU 98 2HD2 LEU 98 -7.318 -8.954 -2.033 712 3HD2 LEU 98 3HD2 LEU 98 -6.787 -8.894 -0.336 713 H ARG 99 H ARG 99 -10.322 -3.929 0.879 714 HA ARG 99 HA ARG 99 -10.034 -4.063 3.773 715 1HB ARG 99 1HB ARG 99 -11.125 -1.944 1.907 716 2HB ARG 99 2HB ARG 99 -11.799 -2.050 3.521 717 1HG ARG 99 1HG ARG 99 -9.336 -2.025 4.370 718 2HG ARG 99 2HG ARG 99 -8.901 -1.530 2.746 719 1HD ARG 99 1HD ARG 99 -11.147 0.079 3.678 720 2HD ARG 99 2HD ARG 99 -9.863 0.125 4.869 721 HE ARG 99 HE ARG 99 -8.448 0.540 2.578 722 1HH1 ARG 99 1HH1 ARG 99 -11.434 1.991 3.743 723 2HH1 ARG 99 2HH1 ARG 99 -11.167 3.499 2.935 724 1HH2 ARG 99 1HH2 ARG 99 -8.095 2.530 1.510 725 2HH2 ARG 99 2HH2 ARG 99 -9.255 3.808 1.656 726 H ARG 100 H ARG 100 -11.749 -4.937 4.984 727 HA ARG 100 HA ARG 100 -13.496 -6.613 3.724 728 1HB ARG 100 1HB ARG 100 -14.610 -6.806 5.933 729 2HB ARG 100 2HB ARG 100 -12.869 -6.770 6.131 730 1HG ARG 100 1HG ARG 100 -14.026 -4.060 6.156 731 2HG ARG 100 2HG ARG 100 -14.728 -5.077 7.398 732 1HD ARG 100 1HD ARG 100 -12.880 -4.593 8.643 733 2HD ARG 100 2HD ARG 100 -12.013 -5.698 7.596 734 HE ARG 100 HE ARG 100 -12.041 -3.267 6.202 735 1HH1 ARG 100 1HH1 ARG 100 -10.879 -4.374 9.334 736 2HH1 ARG 100 2HH1 ARG 100 -9.593 -3.216 9.409 737 1HH2 ARG 100 1HH2 ARG 100 -10.344 -1.739 6.301 738 2HH2 ARG 100 2HH2 ARG 100 -9.287 -1.707 7.672 739 H THR 101 H THR 101 -16.088 -6.337 4.525 740 HA THR 101 HA THR 101 -17.229 -4.606 2.741 741 HB THR 101 HB THR 101 -18.265 -6.565 4.026 742 HG1 THR 101 HG1 THR 101 -20.315 -5.412 3.939 743 1HG2 THR 101 1HG2 THR 101 -18.883 -4.408 6.099 744 2HG2 THR 101 2HG2 THR 101 -19.282 -6.141 6.177 745 3HG2 THR 101 3HG2 THR 101 -17.592 -5.608 6.345 746 H SER 102 H SER 102 -18.448 -2.616 2.965 747 HA SER 102 HA SER 102 -16.925 -0.631 4.076 748 1HB SER 102 1HB SER 102 -18.936 -0.643 2.321 749 2HB SER 102 2HB SER 102 -19.900 -0.250 3.731 750 HG SER 102 HG SER 102 -17.805 1.372 3.906 751 H GLY 103 H GLY 103 -19.926 -2.245 5.311 752 1HA GLY 103 1HA GLY 103 -19.385 -1.018 7.950 753 2HA GLY 103 2HA GLY 103 -20.987 -1.353 7.323 754 HA PRO 104 HA PRO 104 -18.837 -5.390 8.672 755 1HB PRO 104 1HB PRO 104 -17.021 -5.145 10.700 756 2HB PRO 104 2HB PRO 104 -16.562 -5.279 9.014 757 1HG PRO 104 1HG PRO 104 -16.558 -2.887 10.751 758 2HG PRO 104 2HG PRO 104 -15.724 -3.142 9.231 759 1HD PRO 104 1HD PRO 104 -18.109 -1.603 9.643 760 2HD PRO 104 2HD PRO 104 -17.340 -1.953 8.108 761 H SER 105 H SER 105 -20.293 -6.594 9.702 762 HA SER 105 HA SER 105 -21.791 -7.132 11.178 763 1HB SER 105 1HB SER 105 -21.158 -7.187 13.437 764 2HB SER 105 2HB SER 105 -19.613 -7.044 12.623 765 HG SER 105 HG SER 105 -20.250 -4.545 12.935 766 H SER 106 H SER 106 -23.530 -6.260 12.771 767 HA SER 106 HA SER 106 -25.105 -4.846 13.245 768 1HB SER 106 1HB SER 106 -22.889 -3.463 13.918 769 2HB SER 106 2HB SER 106 -23.464 -2.396 12.651 770 HG SER 106 HG SER 106 -25.279 -1.903 13.805 771 H GLY 107 H GLY 107 -26.484 -5.298 11.476 772 1HA GLY 107 1HA GLY 107 -26.167 -4.561 8.851 773 2HA GLY 107 2HA GLY 107 -27.707 -4.793 9.656 Start of MODEL 2 1 1H GLY 1 1H GLY 1 -25.876 -10.532 -8.765 2 1HA GLY 1 1HA GLY 1 -24.293 -12.385 -8.258 3 2HA GLY 1 2HA GLY 1 -23.898 -10.869 -7.472 4 H SER 2 H SER 2 -24.373 -14.182 -6.980 5 HA SER 2 HA SER 2 -24.422 -13.725 -4.133 6 1HB SER 2 1HB SER 2 -26.808 -14.153 -4.895 7 2HB SER 2 2HB SER 2 -26.299 -15.736 -5.450 8 HG SER 2 HG SER 2 -26.988 -16.173 -3.410 9 H SER 3 H SER 3 -23.603 -15.645 -2.913 10 HA SER 3 HA SER 3 -22.281 -17.338 -2.598 11 1HB SER 3 1HB SER 3 -23.889 -18.246 -4.638 12 2HB SER 3 2HB SER 3 -22.309 -18.424 -5.375 13 HG SER 3 HG SER 3 -22.512 -19.336 -2.703 14 H GLY 4 H GLY 4 -20.079 -17.127 -2.388 15 1HA GLY 4 1HA GLY 4 -17.991 -17.305 -3.747 16 2HA GLY 4 2HA GLY 4 -18.615 -15.957 -4.677 17 H SER 5 H SER 5 -16.503 -16.752 -2.225 18 HA SER 5 HA SER 5 -17.058 -14.502 -0.549 19 1HB SER 5 1HB SER 5 -15.328 -15.331 0.859 20 2HB SER 5 2HB SER 5 -16.116 -16.762 0.227 21 HG SER 5 HG SER 5 -14.396 -16.804 -1.456 22 H SER 6 H SER 6 -15.916 -12.532 -0.517 23 HA SER 6 HA SER 6 -13.454 -12.122 -1.619 24 1HB SER 6 1HB SER 6 -15.213 -12.544 -3.705 25 2HB SER 6 2HB SER 6 -15.287 -10.800 -3.553 26 HG SER 6 HG SER 6 -12.796 -10.991 -3.507 27 H GLY 7 H GLY 7 -12.905 -10.471 -0.244 28 1HA GLY 7 1HA GLY 7 -14.770 -8.778 0.995 29 2HA GLY 7 2HA GLY 7 -13.030 -8.576 0.958 30 H LYS 8 H LYS 8 -12.391 -6.646 0.118 31 HA LYS 8 HA LYS 8 -13.600 -5.764 -2.358 32 1HB LYS 8 1HB LYS 8 -14.141 -4.495 0.260 33 2HB LYS 8 2HB LYS 8 -13.644 -3.392 -1.007 34 1HG LYS 8 1HG LYS 8 -15.662 -3.556 -2.031 35 2HG LYS 8 2HG LYS 8 -15.539 -5.302 -2.106 36 1HD LYS 8 1HD LYS 8 -16.459 -5.539 0.148 37 2HD LYS 8 2HD LYS 8 -16.380 -3.809 0.419 38 1HE LYS 8 1HE LYS 8 -17.881 -4.233 -2.006 39 2HE LYS 8 2HE LYS 8 -18.510 -5.339 -0.800 40 1HZ LYS 8 1HZ LYS 8 -19.638 -3.351 -0.494 41 2HZ LYS 8 2HZ LYS 8 -18.535 -3.350 0.710 42 3HZ LYS 8 3HZ LYS 8 -18.298 -2.426 -0.614 43 H SER 9 H SER 9 -12.243 -4.284 -3.525 44 HA SER 9 HA SER 9 -9.609 -3.998 -2.309 45 1HB SER 9 1HB SER 9 -8.517 -4.666 -4.296 46 2HB SER 9 2HB SER 9 -9.830 -5.817 -4.140 47 HG SER 9 HG SER 9 -9.507 -4.794 -6.320 48 H LEU 10 H LEU 10 -9.145 -1.845 -2.076 49 HA LEU 10 HA LEU 10 -10.426 -0.003 -3.965 50 1HB LEU 10 1HB LEU 10 -9.233 0.806 -1.337 51 2HB LEU 10 2HB LEU 10 -10.451 1.618 -2.300 52 HG LEU 10 HG LEU 10 -10.813 -0.900 -0.657 53 1HD1 LEU 10 1HD1 LEU 10 -11.898 0.349 0.909 54 2HD1 LEU 10 2HD1 LEU 10 -10.749 1.571 0.313 55 3HD1 LEU 10 3HD1 LEU 10 -12.433 1.574 -0.266 56 1HD2 LEU 10 1HD2 LEU 10 -12.179 -0.233 -3.010 57 2HD2 LEU 10 2HD2 LEU 10 -12.649 -1.436 -1.784 58 3HD2 LEU 10 3HD2 LEU 10 -13.271 0.229 -1.682 59 H THR 11 H THR 11 -9.136 1.851 -4.723 60 HA THR 11 HA THR 11 -6.300 1.089 -4.939 61 HB THR 11 HB THR 11 -7.739 2.978 -6.824 62 HG1 THR 11 HG1 THR 11 -9.142 1.185 -6.822 63 1HG2 THR 11 1HG2 THR 11 -5.597 0.806 -7.101 64 2HG2 THR 11 2HG2 THR 11 -6.325 1.658 -8.483 65 3HG2 THR 11 3HG2 THR 11 -5.362 2.560 -7.290 66 H LEU 12 H LEU 12 -4.672 2.543 -4.498 67 HA LEU 12 HA LEU 12 -5.507 5.211 -3.670 68 1HB LEU 12 1HB LEU 12 -3.538 4.281 -1.832 69 2HB LEU 12 2HB LEU 12 -5.142 4.915 -1.522 70 HG LEU 12 HG LEU 12 -5.755 2.366 -2.274 71 1HD1 LEU 12 1HD1 LEU 12 -2.924 2.372 -1.479 72 2HD1 LEU 12 2HD1 LEU 12 -3.934 1.199 -0.600 73 3HD1 LEU 12 3HD1 LEU 12 -3.870 1.161 -2.378 74 1HD2 LEU 12 1HD2 LEU 12 -5.216 2.316 0.533 75 2HD2 LEU 12 2HD2 LEU 12 -5.783 3.944 0.088 76 3HD2 LEU 12 3HD2 LEU 12 -6.771 2.518 -0.311 77 H VAL 13 H VAL 13 -4.028 6.802 -4.203 78 HA VAL 13 HA VAL 13 -1.704 5.827 -5.688 79 HB VAL 13 HB VAL 13 -3.380 8.319 -5.754 80 1HG1 VAL 13 1HG1 VAL 13 -1.506 9.537 -6.035 81 2HG1 VAL 13 2HG1 VAL 13 -0.495 8.101 -6.323 82 3HG1 VAL 13 3HG1 VAL 13 -1.456 8.794 -7.651 83 1HG2 VAL 13 1HG2 VAL 13 -4.293 7.051 -7.379 84 2HG2 VAL 13 2HG2 VAL 13 -2.877 7.553 -8.334 85 3HG2 VAL 13 3HG2 VAL 13 -2.870 5.986 -7.489 86 H LEU 14 H LEU 14 0.220 5.830 -4.660 87 HA LEU 14 HA LEU 14 0.535 7.760 -2.469 88 1HB LEU 14 1HB LEU 14 1.990 5.146 -2.873 89 2HB LEU 14 2HB LEU 14 2.106 6.217 -1.491 90 HG LEU 14 HG LEU 14 -0.318 4.602 -2.326 91 1HD1 LEU 14 1HD1 LEU 14 0.902 4.265 0.348 92 2HD1 LEU 14 2HD1 LEU 14 0.232 3.060 -0.779 93 3HD1 LEU 14 3HD1 LEU 14 1.876 3.695 -1.029 94 1HD2 LEU 14 1HD2 LEU 14 -1.585 6.051 -1.224 95 2HD2 LEU 14 2HD2 LEU 14 -0.697 5.638 0.262 96 3HD2 LEU 14 3HD2 LEU 14 -0.161 7.006 -0.743 97 H HIS 15 H HIS 15 2.666 8.774 -2.231 98 HA HIS 15 HA HIS 15 4.088 8.854 -4.792 99 1HB HIS 15 1HB HIS 15 3.327 11.121 -2.942 100 2HB HIS 15 2HB HIS 15 4.591 11.276 -4.146 101 HD1 HIS 15 HD1 HIS 15 3.869 11.913 -6.473 102 HD2 HIS 15 HD2 HIS 15 0.690 10.476 -4.144 103 HE1 HIS 15 HE1 HIS 15 1.754 12.262 -7.857 104 H ARG 16 H ARG 16 6.313 10.301 -4.123 105 HA ARG 16 HA ARG 16 7.366 8.837 -1.839 106 1HB ARG 16 1HB ARG 16 8.652 9.334 -4.563 107 2HB ARG 16 2HB ARG 16 9.599 8.863 -3.165 108 1HG ARG 16 1HG ARG 16 7.698 6.945 -2.997 109 2HG ARG 16 2HG ARG 16 7.571 7.265 -4.716 110 1HD ARG 16 1HD ARG 16 10.361 6.976 -3.661 111 2HD ARG 16 2HD ARG 16 9.386 5.520 -3.629 112 HE ARG 16 HE ARG 16 9.381 5.472 -5.985 113 1HH1 ARG 16 1HH1 ARG 16 10.634 8.558 -4.848 114 2HH1 ARG 16 2HH1 ARG 16 11.189 9.054 -6.413 115 1HH2 ARG 16 1HH2 ARG 16 10.114 6.126 -8.048 116 2HH2 ARG 16 2HH2 ARG 16 10.891 7.661 -8.245 117 H ASP 17 H ASP 17 7.169 10.668 -0.431 118 HA ASP 17 HA ASP 17 8.184 13.178 -1.300 119 1HB ASP 17 1HB ASP 17 6.346 13.296 0.213 120 2HB ASP 17 2HB ASP 17 7.022 12.075 1.274 121 H SER 18 H SER 18 10.438 12.252 -1.764 122 HA SER 18 HA SER 18 12.555 12.179 -1.269 123 1HB SER 18 1HB SER 18 11.522 13.783 0.835 124 2HB SER 18 2HB SER 18 12.588 12.632 1.615 125 HG SER 18 HG SER 18 14.328 13.491 0.634 126 H GLY 19 H GLY 19 12.227 9.825 -1.668 127 1HA GLY 19 1HA GLY 19 12.167 7.631 -1.074 128 2HA GLY 19 2HA GLY 19 13.539 8.118 -0.100 129 H SER 20 H SER 20 9.906 8.346 0.037 130 HA SER 20 HA SER 20 9.802 6.835 2.382 131 1HB SER 20 1HB SER 20 10.079 9.774 2.679 132 2HB SER 20 2HB SER 20 8.707 9.105 3.539 133 HG SER 20 HG SER 20 10.250 8.760 5.027 134 H LEU 21 H LEU 21 8.011 5.723 1.633 135 HA LEU 21 HA LEU 21 6.038 6.859 0.025 136 1HB LEU 21 1HB LEU 21 6.307 4.344 1.625 137 2HB LEU 21 2HB LEU 21 4.754 4.755 0.924 138 HG LEU 21 HG LEU 21 6.155 3.200 -0.443 139 1HD1 LEU 21 1HD1 LEU 21 4.446 4.173 -1.660 140 2HD1 LEU 21 2HD1 LEU 21 5.133 5.810 -1.524 141 3HD1 LEU 21 3HD1 LEU 21 5.886 4.616 -2.608 142 1HD2 LEU 21 1HD2 LEU 21 8.010 4.182 -1.776 143 2HD2 LEU 21 2HD2 LEU 21 7.920 5.641 -0.760 144 3HD2 LEU 21 3HD2 LEU 21 8.357 4.077 -0.033 145 H GLY 22 H GLY 22 6.479 6.700 3.551 146 1HA GLY 22 1HA GLY 22 5.479 8.354 4.913 147 2HA GLY 22 2HA GLY 22 4.103 8.419 3.831 148 H PHE 23 H PHE 23 5.586 5.315 4.773 149 HA PHE 23 HA PHE 23 3.917 4.842 6.991 150 1HB PHE 23 1HB PHE 23 2.233 3.474 5.953 151 2HB PHE 23 2HB PHE 23 2.383 4.816 4.836 152 HD1 PHE 23 HD1 PHE 23 4.640 4.271 3.202 153 HD2 PHE 23 HD2 PHE 23 1.857 1.508 4.823 154 HE1 PHE 23 HE1 PHE 23 5.149 2.666 1.341 155 HE2 PHE 23 HE2 PHE 23 2.366 -0.097 2.962 156 HZ PHE 23 HZ PHE 23 4.006 0.501 1.243 157 H ASN 24 H ASN 24 3.770 2.184 7.212 158 HA ASN 24 HA ASN 24 6.437 1.266 6.470 159 1HB ASN 24 1HB ASN 24 4.880 0.846 9.070 160 2HB ASN 24 2HB ASN 24 6.288 -0.112 8.656 161 1HD2 ASN 24 1HD2 ASN 24 7.796 0.546 10.014 162 2HD2 ASN 24 2HD2 ASN 24 8.356 2.171 10.228 163 H ILE 25 H ILE 25 6.508 -1.293 6.612 164 HA ILE 25 HA ILE 25 3.885 -2.438 6.012 165 HB ILE 25 HB ILE 25 5.268 -3.773 4.213 166 1HG1 ILE 25 1HG1 ILE 25 6.609 -1.137 3.782 167 2HG1 ILE 25 2HG1 ILE 25 7.307 -2.224 4.965 168 1HG2 ILE 25 1HG2 ILE 25 3.692 -1.275 4.119 169 2HG2 ILE 25 2HG2 ILE 25 4.649 -1.637 2.663 170 3HG2 ILE 25 3HG2 ILE 25 3.464 -2.820 3.265 171 1HD1 ILE 25 1HD1 ILE 25 7.464 -2.366 2.087 172 2HD1 ILE 25 2HD1 ILE 25 8.253 -3.413 3.291 173 3HD1 ILE 25 3HD1 ILE 25 6.630 -3.822 2.683 174 H ILE 26 H ILE 26 3.741 -4.730 6.443 175 HA ILE 26 HA ILE 26 6.045 -5.822 7.873 176 HB ILE 26 HB ILE 26 4.918 -6.287 9.798 177 1HG1 ILE 26 1HG1 ILE 26 2.253 -5.908 8.402 178 2HG1 ILE 26 2HG1 ILE 26 3.033 -7.455 8.665 179 1HG2 ILE 26 1HG2 ILE 26 5.155 -3.805 9.390 180 2HG2 ILE 26 2HG2 ILE 26 3.422 -3.789 8.983 181 3HG2 ILE 26 3HG2 ILE 26 3.950 -4.282 10.610 182 1HD1 ILE 26 1HD1 ILE 26 1.303 -6.857 10.415 183 2HD1 ILE 26 2HD1 ILE 26 2.916 -7.198 11.084 184 3HD1 ILE 26 3HD1 ILE 26 2.358 -5.516 10.921 185 H GLY 27 H GLY 27 5.704 -8.267 8.251 186 1HA GLY 27 1HA GLY 27 4.287 -10.143 7.460 187 2HA GLY 27 2HA GLY 27 4.308 -9.372 5.887 188 H GLY 28 H GLY 28 6.985 -8.499 5.671 189 1HA GLY 28 1HA GLY 28 8.291 -10.743 4.723 190 2HA GLY 28 2HA GLY 28 9.044 -9.212 5.122 191 H ARG 29 H ARG 29 9.916 -12.119 5.523 192 HA ARG 29 HA ARG 29 11.020 -11.684 8.072 193 1HB ARG 29 1HB ARG 29 10.066 -13.598 9.260 194 2HB ARG 29 2HB ARG 29 8.744 -12.592 8.700 195 1HG ARG 29 1HG ARG 29 9.161 -14.326 6.540 196 2HG ARG 29 2HG ARG 29 9.459 -15.356 7.927 197 1HD ARG 29 1HD ARG 29 7.187 -14.048 8.771 198 2HD ARG 29 2HD ARG 29 6.915 -14.057 7.040 199 HE ARG 29 HE ARG 29 7.790 -16.667 7.906 200 1HH1 ARG 29 1HH1 ARG 29 4.987 -14.540 7.952 201 2HH1 ARG 29 2HH1 ARG 29 3.844 -15.838 8.049 202 1HH2 ARG 29 1HH2 ARG 29 6.283 -18.379 8.034 203 2HH2 ARG 29 2HH2 ARG 29 4.586 -18.036 8.096 204 HA PRO 30 HA PRO 30 13.875 -14.460 6.294 205 1HB PRO 30 1HB PRO 30 15.233 -15.410 8.467 206 2HB PRO 30 2HB PRO 30 15.541 -13.838 7.757 207 1HG PRO 30 1HG PRO 30 14.110 -14.494 10.259 208 2HG PRO 30 2HG PRO 30 14.792 -12.961 9.754 209 1HD PRO 30 1HD PRO 30 12.020 -13.698 9.728 210 2HD PRO 30 2HD PRO 30 12.714 -12.210 9.116 211 H SER 31 H SER 31 12.026 -15.759 5.499 212 HA SER 31 HA SER 31 12.508 -18.421 6.445 213 1HB SER 31 1HB SER 31 10.608 -17.468 7.865 214 2HB SER 31 2HB SER 31 9.657 -17.344 6.398 215 HG SER 31 HG SER 31 9.850 -19.468 7.962 216 H VAL 32 H VAL 32 12.173 -19.962 4.784 217 HA VAL 32 HA VAL 32 11.048 -18.876 2.296 218 HB VAL 32 HB VAL 32 12.733 -20.130 1.070 219 1HG1 VAL 32 1HG1 VAL 32 13.231 -17.836 2.736 220 2HG1 VAL 32 2HG1 VAL 32 14.728 -18.784 2.568 221 3HG1 VAL 32 3HG1 VAL 32 13.869 -18.212 1.118 222 1HG2 VAL 32 1HG2 VAL 32 13.433 -21.124 3.792 223 2HG2 VAL 32 2HG2 VAL 32 13.466 -21.958 2.220 224 3HG2 VAL 32 3HG2 VAL 32 14.776 -20.836 2.660 225 H ASP 33 H ASP 33 9.028 -19.836 3.236 226 HA ASP 33 HA ASP 33 8.526 -22.266 2.052 227 1HB ASP 33 1HB ASP 33 9.807 -22.583 4.560 228 2HB ASP 33 2HB ASP 33 8.110 -22.862 4.899 229 H ASN 34 H ASN 34 6.204 -22.672 2.134 230 HA ASN 34 HA ASN 34 4.761 -20.704 3.733 231 1HB ASN 34 1HB ASN 34 4.600 -20.197 1.307 232 2HB ASN 34 2HB ASN 34 4.089 -21.839 0.967 233 1HD2 ASN 34 1HD2 ASN 34 2.288 -20.716 -0.047 234 2HD2 ASN 34 2HD2 ASN 34 0.903 -20.277 0.896 235 H HIS 35 H HIS 35 4.473 -23.854 1.912 236 HA HIS 35 HA HIS 35 3.591 -25.270 4.149 237 1HB HIS 35 1HB HIS 35 1.566 -23.691 3.232 238 2HB HIS 35 2HB HIS 35 1.293 -25.141 2.287 239 HD1 HIS 35 HD1 HIS 35 1.123 -27.454 3.799 240 HD2 HIS 35 HD2 HIS 35 0.551 -23.800 5.778 241 HE1 HIS 35 HE1 HIS 35 -0.062 -28.005 5.991 242 H ASP 36 H ASP 36 2.767 -25.154 0.604 243 HA ASP 36 HA ASP 36 4.450 -27.467 0.259 244 1HB ASP 36 1HB ASP 36 2.306 -28.524 0.663 245 2HB ASP 36 2HB ASP 36 1.469 -27.370 -0.357 246 H GLY 37 H GLY 37 5.810 -26.267 -1.166 247 1HA GLY 37 1HA GLY 37 5.696 -26.098 -3.726 248 2HA GLY 37 2HA GLY 37 4.513 -24.848 -3.398 249 H SER 38 H SER 38 5.162 -22.805 -2.588 250 HA SER 38 HA SER 38 7.957 -22.513 -1.938 251 1HB SER 38 1HB SER 38 6.963 -21.861 -4.518 252 2HB SER 38 2HB SER 38 7.142 -20.326 -3.692 253 HG SER 38 HG SER 38 9.358 -21.616 -3.063 254 H SER 39 H SER 39 8.390 -20.277 -0.980 255 HA SER 39 HA SER 39 6.530 -19.715 0.947 256 1HB SER 39 1HB SER 39 8.843 -19.069 1.230 257 2HB SER 39 2HB SER 39 8.812 -18.063 -0.204 258 HG SER 39 HG SER 39 7.410 -17.597 2.285 259 H SER 40 H SER 40 4.982 -17.995 1.230 260 HA SER 40 HA SER 40 4.237 -16.749 -1.301 261 1HB SER 40 1HB SER 40 1.900 -16.700 -0.378 262 2HB SER 40 2HB SER 40 2.521 -18.321 -0.614 263 HG SER 40 HG SER 40 1.842 -16.982 1.764 264 H GLU 41 H GLU 41 4.104 -16.384 2.317 265 HA GLU 41 HA GLU 41 4.156 -14.641 3.614 266 1HB GLU 41 1HB GLU 41 6.148 -14.044 1.500 267 2HB GLU 41 2HB GLU 41 5.618 -12.628 2.386 268 1HG GLU 41 1HG GLU 41 7.315 -13.317 3.806 269 2HG GLU 41 2HG GLU 41 5.992 -14.227 4.510 270 H GLY 42 H GLY 42 3.728 -12.086 3.748 271 1HA GLY 42 1HA GLY 42 1.888 -11.214 1.642 272 2HA GLY 42 2HA GLY 42 1.242 -11.425 3.257 273 H ILE 43 H ILE 43 1.209 -8.898 2.019 274 HA ILE 43 HA ILE 43 3.212 -7.486 3.637 275 HB ILE 43 HB ILE 43 2.176 -6.619 0.938 276 1HG1 ILE 43 1HG1 ILE 43 3.532 -8.578 0.602 277 2HG1 ILE 43 2HG1 ILE 43 4.439 -7.165 0.101 278 1HG2 ILE 43 1HG2 ILE 43 3.915 -5.387 3.013 279 2HG2 ILE 43 2HG2 ILE 43 4.397 -5.177 1.313 280 3HG2 ILE 43 3HG2 ILE 43 2.790 -4.637 1.855 281 1HD1 ILE 43 1HD1 ILE 43 5.051 -7.460 2.847 282 2HD1 ILE 43 2HD1 ILE 43 5.068 -9.112 2.184 283 3HD1 ILE 43 3HD1 ILE 43 6.107 -7.854 1.470 284 H PHE 44 H PHE 44 2.372 -6.099 5.113 285 HA PHE 44 HA PHE 44 -0.340 -5.124 4.628 286 1HB PHE 44 1HB PHE 44 0.847 -6.472 7.125 287 2HB PHE 44 2HB PHE 44 -0.669 -5.594 7.164 288 HD1 PHE 44 HD1 PHE 44 -2.647 -6.740 6.780 289 HD2 PHE 44 HD2 PHE 44 0.988 -8.407 5.362 290 HE1 PHE 44 HE1 PHE 44 -3.869 -8.823 6.096 291 HE2 PHE 44 HE2 PHE 44 -0.234 -10.490 4.677 292 HZ PHE 44 HZ PHE 44 -2.648 -10.673 5.052 293 H VAL 45 H VAL 45 -0.895 -3.229 6.052 294 HA VAL 45 HA VAL 45 1.530 -1.652 6.484 295 HB VAL 45 HB VAL 45 -1.370 -0.862 6.139 296 1HG1 VAL 45 1HG1 VAL 45 0.073 1.415 5.719 297 2HG1 VAL 45 2HG1 VAL 45 -0.712 0.986 7.258 298 3HG1 VAL 45 3HG1 VAL 45 1.018 0.646 7.017 299 1HG2 VAL 45 1HG2 VAL 45 0.556 0.103 4.161 300 2HG2 VAL 45 2HG2 VAL 45 0.460 -1.674 4.211 301 3HG2 VAL 45 3HG2 VAL 45 -1.011 -0.711 3.932 302 H SER 46 H SER 46 2.168 -1.062 8.509 303 HA SER 46 HA SER 46 0.256 -1.656 10.632 304 1HB SER 46 1HB SER 46 2.332 -3.133 10.499 305 2HB SER 46 2HB SER 46 3.296 -1.712 10.850 306 HG SER 46 HG SER 46 2.360 -3.282 12.660 307 H LYS 47 H LYS 47 2.815 0.520 9.360 308 HA LYS 47 HA LYS 47 1.864 2.554 11.256 309 1HB LYS 47 1HB LYS 47 4.237 1.574 11.601 310 2HB LYS 47 2HB LYS 47 4.676 2.476 10.164 311 1HG LYS 47 1HG LYS 47 3.191 4.316 11.717 312 2HG LYS 47 2HG LYS 47 4.171 3.454 12.887 313 1HD LYS 47 1HD LYS 47 6.224 3.967 11.618 314 2HD LYS 47 2HD LYS 47 5.288 4.705 10.334 315 1HE LYS 47 1HE LYS 47 5.611 6.670 11.448 316 2HE LYS 47 2HE LYS 47 4.375 6.102 12.553 317 1HZ LYS 47 1HZ LYS 47 6.805 6.720 13.316 318 2HZ LYS 47 2HZ LYS 47 5.898 5.611 14.101 319 3HZ LYS 47 3HZ LYS 47 7.041 5.128 13.039 320 H ILE 48 H ILE 48 1.256 4.518 10.399 321 HA ILE 48 HA ILE 48 1.833 4.930 7.560 322 HB ILE 48 HB ILE 48 -0.862 4.916 8.895 323 1HG1 ILE 48 1HG1 ILE 48 0.342 3.534 6.489 324 2HG1 ILE 48 2HG1 ILE 48 -0.266 2.804 7.962 325 1HG2 ILE 48 1HG2 ILE 48 -1.538 6.661 7.706 326 2HG2 ILE 48 2HG2 ILE 48 0.075 6.829 6.972 327 3HG2 ILE 48 3HG2 ILE 48 -1.143 5.775 6.214 328 1HD1 ILE 48 1HD1 ILE 48 -1.765 3.841 5.597 329 2HD1 ILE 48 2HD1 ILE 48 -2.153 2.488 6.686 330 3HD1 ILE 48 3HD1 ILE 48 -2.504 4.161 7.184 331 H VAL 49 H VAL 49 2.730 6.892 7.224 332 HA VAL 49 HA VAL 49 2.883 8.710 9.433 333 HB VAL 49 HB VAL 49 3.885 8.846 6.582 334 1HG1 VAL 49 1HG1 VAL 49 5.332 10.473 8.503 335 2HG1 VAL 49 2HG1 VAL 49 4.607 10.929 6.942 336 3HG1 VAL 49 3HG1 VAL 49 3.619 10.947 8.423 337 1HG2 VAL 49 1HG2 VAL 49 4.716 7.159 8.583 338 2HG2 VAL 49 2HG2 VAL 49 5.719 7.708 7.220 339 3HG2 VAL 49 3HG2 VAL 49 5.814 8.545 8.788 340 H ASP 50 H ASP 50 1.527 10.373 9.870 341 HA ASP 50 HA ASP 50 -0.794 10.705 8.447 342 1HB ASP 50 1HB ASP 50 -0.629 11.456 10.744 343 2HB ASP 50 2HB ASP 50 0.714 12.519 10.373 344 H SER 51 H SER 51 1.698 13.320 8.907 345 HA SER 51 HA SER 51 0.946 14.889 6.865 346 1HB SER 51 1HB SER 51 3.697 15.222 6.836 347 2HB SER 51 2HB SER 51 2.595 16.008 7.949 348 HG SER 51 HG SER 51 3.097 14.572 9.558 349 H GLY 52 H GLY 52 2.677 11.811 6.730 350 1HA GLY 52 1HA GLY 52 3.999 11.946 4.316 351 2HA GLY 52 2HA GLY 52 3.275 10.505 5.001 352 HA PRO 53 HA PRO 53 0.899 12.064 1.285 353 1HB PRO 53 1HB PRO 53 2.160 10.880 -0.831 354 2HB PRO 53 2HB PRO 53 2.426 12.550 -0.368 355 1HG PRO 53 1HG PRO 53 4.185 10.210 0.044 356 2HG PRO 53 2HG PRO 53 4.592 11.914 0.104 357 1HD PRO 53 1HD PRO 53 4.225 10.158 2.342 358 2HD PRO 53 2HD PRO 53 4.517 11.884 2.401 359 H ALA 54 H ALA 54 1.762 9.300 2.803 360 HA ALA 54 HA ALA 54 0.177 7.546 1.151 361 1HB ALA 54 1HB ALA 54 0.970 6.664 3.859 362 2HB ALA 54 2HB ALA 54 1.263 5.904 2.277 363 3HB ALA 54 3HB ALA 54 2.325 7.215 2.845 364 H ALA 55 H ALA 55 -0.058 9.334 4.261 365 HA ALA 55 HA ALA 55 -2.727 8.255 4.678 366 1HB ALA 55 1HB ALA 55 -2.555 9.313 6.858 367 2HB ALA 55 2HB ALA 55 -1.048 8.422 6.536 368 3HB ALA 55 3HB ALA 55 -1.090 10.193 6.359 369 H LYS 56 H LYS 56 -0.993 11.327 3.946 370 HA LYS 56 HA LYS 56 -3.096 13.072 4.147 371 1HB LYS 56 1HB LYS 56 -0.537 12.974 2.627 372 2HB LYS 56 2HB LYS 56 -1.721 14.152 2.096 373 1HG LYS 56 1HG LYS 56 -1.086 13.903 5.050 374 2HG LYS 56 2HG LYS 56 0.012 14.781 4.004 375 1HD LYS 56 1HD LYS 56 -1.488 16.509 3.632 376 2HD LYS 56 2HD LYS 56 -2.888 15.456 3.691 377 1HE LYS 56 1HE LYS 56 -3.156 16.608 5.704 378 2HE LYS 56 2HE LYS 56 -2.252 15.216 6.264 379 1HZ LYS 56 1HZ LYS 56 -1.212 17.133 7.093 380 2HZ LYS 56 2HZ LYS 56 -0.228 16.576 5.914 381 3HZ LYS 56 3HZ LYS 56 -1.180 17.874 5.638 382 H GLU 57 H GLU 57 -1.942 12.125 0.866 383 HA GLU 57 HA GLU 57 -4.744 12.039 0.108 384 1HB GLU 57 1HB GLU 57 -2.216 12.389 -1.561 385 2HB GLU 57 2HB GLU 57 -3.827 12.283 -2.242 386 1HG GLU 57 1HG GLU 57 -4.514 14.270 -0.843 387 2HG GLU 57 2HG GLU 57 -2.868 14.397 -0.256 388 H GLY 58 H GLY 58 -1.788 10.129 0.404 389 1HA GLY 58 1HA GLY 58 -1.887 8.083 -1.263 390 2HA GLY 58 2HA GLY 58 -1.638 7.849 0.456 391 H GLY 59 H GLY 59 -4.018 8.225 1.690 392 1HA GLY 59 1HA GLY 59 -6.271 7.644 1.711 393 2HA GLY 59 2HA GLY 59 -6.082 6.776 0.201 394 H LEU 60 H LEU 60 -3.376 5.752 1.645 395 HA LEU 60 HA LEU 60 -4.192 3.207 2.143 396 1HB LEU 60 1HB LEU 60 -1.847 4.344 1.992 397 2HB LEU 60 2HB LEU 60 -1.975 4.444 3.736 398 HG LEU 60 HG LEU 60 -1.985 2.099 3.998 399 1HD1 LEU 60 1HD1 LEU 60 -1.928 0.639 1.822 400 2HD1 LEU 60 2HD1 LEU 60 -3.477 1.196 2.499 401 3HD1 LEU 60 3HD1 LEU 60 -2.761 2.038 1.104 402 1HD2 LEU 60 1HD2 LEU 60 -0.004 1.410 2.382 403 2HD2 LEU 60 2HD2 LEU 60 0.013 3.159 2.049 404 3HD2 LEU 60 3HD2 LEU 60 0.231 2.567 3.714 405 H GLN 61 H GLN 61 -3.957 2.085 4.440 406 HA GLN 61 HA GLN 61 -5.007 3.695 6.549 407 1HB GLN 61 1HB GLN 61 -6.894 2.574 4.866 408 2HB GLN 61 2HB GLN 61 -6.746 1.331 6.092 409 1HG GLN 61 1HG GLN 61 -6.896 3.411 7.770 410 2HG GLN 61 2HG GLN 61 -7.650 4.199 6.398 411 1HE2 GLN 61 1HE2 GLN 61 -9.428 3.033 5.322 412 2HE2 GLN 61 2HE2 GLN 61 -10.545 2.126 6.286 413 H ILE 62 H ILE 62 -4.044 2.988 8.408 414 HA ILE 62 HA ILE 62 -2.224 1.017 8.548 415 HB ILE 62 HB ILE 62 -4.005 2.315 10.558 416 1HG1 ILE 62 1HG1 ILE 62 -1.113 2.382 9.773 417 2HG1 ILE 62 2HG1 ILE 62 -2.243 3.703 9.988 418 1HG2 ILE 62 1HG2 ILE 62 -3.839 0.000 11.348 419 2HG2 ILE 62 2HG2 ILE 62 -2.065 0.085 11.231 420 3HG2 ILE 62 3HG2 ILE 62 -2.930 1.119 12.392 421 1HD1 ILE 62 1HD1 ILE 62 -0.829 3.831 11.895 422 2HD1 ILE 62 2HD1 ILE 62 -2.296 3.025 12.501 423 3HD1 ILE 62 3HD1 ILE 62 -0.843 2.066 12.129 424 H HIS 63 H HIS 63 -2.134 -1.197 9.090 425 HA HIS 63 HA HIS 63 -2.804 -3.285 9.119 426 1HB HIS 63 1HB HIS 63 -5.521 -2.332 10.046 427 2HB HIS 63 2HB HIS 63 -4.794 -3.905 10.304 428 HD1 HIS 63 HD1 HIS 63 -5.762 -2.257 12.717 429 HD2 HIS 63 HD2 HIS 63 -1.840 -2.137 11.235 430 HE1 HIS 63 HE1 HIS 63 -4.294 -1.458 14.645 431 H ASP 64 H ASP 64 -2.675 -2.321 6.638 432 HA ASP 64 HA ASP 64 -5.112 -3.361 5.426 433 1HB ASP 64 1HB ASP 64 -3.555 -0.857 4.868 434 2HB ASP 64 2HB ASP 64 -4.139 -1.728 3.464 435 H ARG 65 H ARG 65 -4.695 -5.013 3.913 436 HA ARG 65 HA ARG 65 -1.936 -5.698 3.559 437 1HB ARG 65 1HB ARG 65 -3.888 -7.341 4.092 438 2HB ARG 65 2HB ARG 65 -4.352 -7.167 2.411 439 1HG ARG 65 1HG ARG 65 -1.924 -7.816 1.809 440 2HG ARG 65 2HG ARG 65 -1.716 -8.251 3.495 441 1HD ARG 65 1HD ARG 65 -3.525 -9.914 3.350 442 2HD ARG 65 2HD ARG 65 -3.928 -9.398 1.725 443 HE ARG 65 HE ARG 65 -1.176 -10.106 1.714 444 1HH1 ARG 65 1HH1 ARG 65 -4.300 -11.662 2.169 445 2HH1 ARG 65 2HH1 ARG 65 -3.762 -13.201 1.586 446 1HH2 ARG 65 1HH2 ARG 65 -0.466 -12.137 0.945 447 2HH2 ARG 65 2HH2 ARG 65 -1.566 -13.474 0.885 448 H ILE 66 H ILE 66 -0.806 -4.854 1.836 449 HA ILE 66 HA ILE 66 -2.108 -3.559 -0.296 450 HB ILE 66 HB ILE 66 0.742 -4.507 -0.334 451 1HG1 ILE 66 1HG1 ILE 66 -0.520 -2.498 1.499 452 2HG1 ILE 66 2HG1 ILE 66 0.735 -3.677 1.826 453 1HG2 ILE 66 1HG2 ILE 66 -0.089 -3.390 -2.334 454 2HG2 ILE 66 2HG2 ILE 66 -0.627 -2.004 -1.356 455 3HG2 ILE 66 3HG2 ILE 66 1.108 -2.376 -1.493 456 1HD1 ILE 66 1HD1 ILE 66 2.206 -2.312 0.161 457 2HD1 ILE 66 2HD1 ILE 66 0.980 -1.035 0.348 458 3HD1 ILE 66 3HD1 ILE 66 1.894 -1.605 1.765 459 H ILE 67 H ILE 67 -2.484 -4.186 -2.439 460 HA ILE 67 HA ILE 67 -2.260 -7.083 -2.860 461 HB ILE 67 HB ILE 67 -4.120 -5.397 -4.456 462 1HG1 ILE 67 1HG1 ILE 67 -4.443 -4.583 -2.146 463 2HG1 ILE 67 2HG1 ILE 67 -5.845 -5.427 -2.774 464 1HG2 ILE 67 1HG2 ILE 67 -4.323 -8.181 -3.275 465 2HG2 ILE 67 2HG2 ILE 67 -5.487 -7.416 -4.382 466 3HG2 ILE 67 3HG2 ILE 67 -3.838 -7.782 -4.941 467 1HD1 ILE 67 1HD1 ILE 67 -5.178 -7.490 -1.566 468 2HD1 ILE 67 2HD1 ILE 67 -3.727 -6.662 -0.952 469 3HD1 ILE 67 3HD1 ILE 67 -5.344 -6.120 -0.442 470 H GLU 68 H GLU 68 -1.990 -3.831 -4.422 471 HA GLU 68 HA GLU 68 0.138 -4.939 -6.020 472 1HB GLU 68 1HB GLU 68 -2.453 -4.610 -7.101 473 2HB GLU 68 2HB GLU 68 -1.553 -3.225 -7.687 474 1HG GLU 68 1HG GLU 68 -0.683 -4.597 -9.275 475 2HG GLU 68 2HG GLU 68 0.268 -5.333 -8.000 476 H VAL 69 H VAL 69 1.571 -3.260 -6.917 477 HA VAL 69 HA VAL 69 1.041 -0.567 -5.932 478 HB VAL 69 HB VAL 69 2.542 -2.221 -4.433 479 1HG1 VAL 69 1HG1 VAL 69 4.936 -1.697 -4.823 480 2HG1 VAL 69 2HG1 VAL 69 4.214 -2.643 -6.147 481 3HG1 VAL 69 3HG1 VAL 69 4.491 -0.897 -6.350 482 1HG2 VAL 69 1HG2 VAL 69 3.806 0.341 -4.269 483 2HG2 VAL 69 2HG2 VAL 69 2.085 0.587 -4.653 484 3HG2 VAL 69 3HG2 VAL 69 2.551 -0.354 -3.216 485 H ASN 70 H ASN 70 1.199 0.749 -7.665 486 HA ASN 70 HA ASN 70 1.817 1.582 -9.568 487 1HB ASN 70 1HB ASN 70 4.148 1.348 -8.293 488 2HB ASN 70 2HB ASN 70 4.474 0.108 -9.488 489 1HD2 ASN 70 1HD2 ASN 70 4.319 3.432 -8.801 490 2HD2 ASN 70 2HD2 ASN 70 4.683 4.069 -10.371 491 H GLY 71 H GLY 71 0.831 -1.377 -9.251 492 1HA GLY 71 1HA GLY 71 -0.029 -2.630 -11.044 493 2HA GLY 71 2HA GLY 71 1.321 -2.141 -12.048 494 H ARG 72 H ARG 72 2.725 -2.716 -9.084 495 HA ARG 72 HA ARG 72 3.479 -5.360 -9.958 496 1HB ARG 72 1HB ARG 72 4.874 -3.164 -8.789 497 2HB ARG 72 2HB ARG 72 4.862 -4.410 -7.557 498 1HG ARG 72 1HG ARG 72 5.454 -5.851 -9.884 499 2HG ARG 72 2HG ARG 72 6.301 -4.338 -10.140 500 1HD ARG 72 1HD ARG 72 7.399 -4.573 -7.899 501 2HD ARG 72 2HD ARG 72 6.551 -6.084 -7.641 502 HE ARG 72 HE ARG 72 8.839 -5.641 -9.436 503 1HH1 ARG 72 1HH1 ARG 72 6.161 -7.765 -8.599 504 2HH1 ARG 72 2HH1 ARG 72 6.870 -9.162 -9.337 505 1HH2 ARG 72 1HH2 ARG 72 9.776 -7.484 -10.411 506 2HH2 ARG 72 2HH2 ARG 72 8.940 -9.001 -10.374 507 H ASP 73 H ASP 73 2.733 -7.194 -8.916 508 HA ASP 73 HA ASP 73 0.930 -6.842 -6.765 509 1HB ASP 73 1HB ASP 73 0.362 -8.608 -8.230 510 2HB ASP 73 2HB ASP 73 2.016 -9.172 -8.355 511 H LEU 74 H LEU 74 1.373 -7.145 -4.547 512 HA LEU 74 HA LEU 74 3.974 -8.326 -3.881 513 1HB LEU 74 1HB LEU 74 2.811 -5.968 -2.417 514 2HB LEU 74 2HB LEU 74 4.416 -6.656 -2.276 515 HG LEU 74 HG LEU 74 3.375 -5.263 -4.757 516 1HD1 LEU 74 1HD1 LEU 74 3.462 -3.522 -3.235 517 2HD1 LEU 74 2HD1 LEU 74 4.841 -4.219 -2.351 518 3HD1 LEU 74 3HD1 LEU 74 5.091 -3.483 -3.952 519 1HD2 LEU 74 1HD2 LEU 74 6.242 -5.323 -4.477 520 2HD2 LEU 74 2HD2 LEU 74 5.580 -6.973 -4.393 521 3HD2 LEU 74 3HD2 LEU 74 5.215 -5.938 -5.794 522 H SER 75 H SER 75 0.764 -8.817 -3.897 523 HA SER 75 HA SER 75 -0.042 -9.168 -1.335 524 1HB SER 75 1HB SER 75 -1.678 -9.499 -2.996 525 2HB SER 75 2HB SER 75 -0.667 -10.586 -3.927 526 HG SER 75 HG SER 75 -2.250 -11.114 -1.611 527 H ARG 76 H ARG 76 1.995 -11.302 -3.398 528 HA ARG 76 HA ARG 76 2.338 -13.002 -1.061 529 1HB ARG 76 1HB ARG 76 2.962 -14.809 -2.622 530 2HB ARG 76 2HB ARG 76 1.405 -14.149 -3.085 531 1HG ARG 76 1HG ARG 76 2.202 -13.595 -5.133 532 2HG ARG 76 2HG ARG 76 3.456 -12.605 -4.413 533 1HD ARG 76 1HD ARG 76 4.877 -14.658 -4.099 534 2HD ARG 76 2HD ARG 76 3.629 -15.626 -4.857 535 HE ARG 76 HE ARG 76 5.507 -13.842 -6.207 536 1HH1 ARG 76 1HH1 ARG 76 2.347 -15.373 -6.442 537 2HH1 ARG 76 2HH1 ARG 76 2.295 -15.292 -8.171 538 1HH2 ARG 76 1HH2 ARG 76 5.438 -13.734 -8.489 539 2HH2 ARG 76 2HH2 ARG 76 4.064 -14.353 -9.343 540 H ALA 77 H ALA 77 3.706 -10.371 -1.862 541 HA ALA 77 HA ALA 77 6.416 -11.320 -2.384 542 1HB ALA 77 1HB ALA 77 6.878 -8.886 -2.685 543 2HB ALA 77 2HB ALA 77 5.590 -9.478 -3.762 544 3HB ALA 77 3HB ALA 77 5.174 -8.541 -2.307 545 H THR 78 H THR 78 8.179 -10.116 -1.048 546 HA THR 78 HA THR 78 7.327 -10.233 1.765 547 HB THR 78 HB THR 78 9.459 -11.148 2.213 548 HG1 THR 78 HG1 THR 78 10.253 -10.098 -0.405 549 1HG2 THR 78 1HG2 THR 78 10.115 -12.699 0.360 550 2HG2 THR 78 2HG2 THR 78 8.357 -12.743 0.635 551 3HG2 THR 78 3HG2 THR 78 9.020 -11.832 -0.743 552 H HIS 79 H HIS 79 8.838 -8.828 3.232 553 HA HIS 79 HA HIS 79 8.206 -6.211 2.722 554 1HB HIS 79 1HB HIS 79 8.773 -7.171 4.927 555 2HB HIS 79 2HB HIS 79 10.453 -7.295 4.444 556 HD1 HIS 79 HD1 HIS 79 11.876 -5.125 4.424 557 HD2 HIS 79 HD2 HIS 79 7.862 -4.524 5.482 558 HE1 HIS 79 HE1 HIS 79 11.729 -2.754 5.354 559 H ASP 80 H ASP 80 11.238 -8.032 2.007 560 HA ASP 80 HA ASP 80 12.769 -5.925 1.220 561 1HB ASP 80 1HB ASP 80 12.793 -8.801 0.989 562 2HB ASP 80 2HB ASP 80 13.222 -8.145 -0.579 563 H GLN 81 H GLN 81 10.518 -8.037 -0.707 564 HA GLN 81 HA GLN 81 10.978 -6.804 -3.139 565 1HB GLN 81 1HB GLN 81 8.978 -8.668 -1.982 566 2HB GLN 81 2HB GLN 81 8.374 -7.727 -3.331 567 1HG GLN 81 1HG GLN 81 10.896 -8.484 -4.240 568 2HG GLN 81 2HG GLN 81 10.415 -9.881 -3.298 569 1HE2 GLN 81 1HE2 GLN 81 8.607 -11.075 -3.856 570 2HE2 GLN 81 2HE2 GLN 81 7.851 -10.980 -5.411 571 H ALA 82 H ALA 82 8.243 -6.351 -0.779 572 HA ALA 82 HA ALA 82 6.899 -4.374 -2.093 573 1HB ALA 82 1HB ALA 82 6.242 -3.661 0.279 574 2HB ALA 82 2HB ALA 82 5.967 -5.370 -0.136 575 3HB ALA 82 3HB ALA 82 7.370 -4.910 0.858 576 H VAL 83 H VAL 83 9.625 -3.993 0.278 577 HA VAL 83 HA VAL 83 9.764 -1.252 0.229 578 HB VAL 83 HB VAL 83 11.817 -3.423 0.601 579 1HG1 VAL 83 1HG1 VAL 83 13.392 -1.744 1.430 580 2HG1 VAL 83 2HG1 VAL 83 12.989 -1.440 -0.276 581 3HG1 VAL 83 3HG1 VAL 83 12.254 -0.444 1.003 582 1HG2 VAL 83 1HG2 VAL 83 10.900 -1.475 2.697 583 2HG2 VAL 83 2HG2 VAL 83 9.848 -2.836 2.239 584 3HG2 VAL 83 3HG2 VAL 83 11.482 -3.148 2.873 585 H GLU 84 H GLU 84 11.588 -3.610 -1.855 586 HA GLU 84 HA GLU 84 12.826 -1.685 -3.375 587 1HB GLU 84 1HB GLU 84 13.553 -4.006 -3.408 588 2HB GLU 84 2HB GLU 84 12.008 -4.544 -4.038 589 1HG GLU 84 1HG GLU 84 12.490 -3.874 -6.195 590 2HG GLU 84 2HG GLU 84 13.367 -2.449 -5.674 591 H ALA 85 H ALA 85 9.678 -3.401 -3.866 592 HA ALA 85 HA ALA 85 9.064 -2.383 -6.355 593 1HB ALA 85 1HB ALA 85 6.625 -2.642 -5.300 594 2HB ALA 85 2HB ALA 85 7.638 -4.062 -5.657 595 3HB ALA 85 3HB ALA 85 7.537 -3.436 -3.994 596 H PHE 86 H PHE 86 8.217 -1.066 -3.074 597 HA PHE 86 HA PHE 86 7.002 1.243 -4.109 598 1HB PHE 86 1HB PHE 86 8.181 0.248 -1.481 599 2HB PHE 86 2HB PHE 86 7.728 1.937 -1.586 600 HD1 PHE 86 HD1 PHE 86 5.282 2.360 -2.522 601 HD2 PHE 86 HD2 PHE 86 6.597 -1.268 -0.757 602 HE1 PHE 86 HE1 PHE 86 2.904 1.755 -1.994 603 HE2 PHE 86 HE2 PHE 86 4.219 -1.873 -0.228 604 HZ PHE 86 HZ PHE 86 2.401 -0.354 -0.853 605 H LYS 87 H LYS 87 10.360 0.325 -3.527 606 HA LYS 87 HA LYS 87 11.317 3.016 -3.406 607 1HB LYS 87 1HB LYS 87 12.615 1.456 -2.234 608 2HB LYS 87 2HB LYS 87 12.583 0.287 -3.537 609 1HG LYS 87 1HG LYS 87 13.976 1.808 -4.947 610 2HG LYS 87 2HG LYS 87 13.994 2.995 -3.658 611 1HD LYS 87 1HD LYS 87 14.891 0.200 -2.979 612 2HD LYS 87 2HD LYS 87 15.966 1.174 -3.962 613 1HE LYS 87 1HE LYS 87 15.446 3.035 -2.096 614 2HE LYS 87 2HE LYS 87 15.055 1.634 -1.120 615 1HZ LYS 87 1HZ LYS 87 17.241 1.641 -0.773 616 2HZ LYS 87 2HZ LYS 87 17.344 0.880 -2.213 617 3HZ LYS 87 3HZ LYS 87 17.599 2.490 -2.121 618 H THR 88 H THR 88 11.244 0.373 -5.883 619 HA THR 88 HA THR 88 12.328 2.149 -7.879 620 HB THR 88 HB THR 88 11.960 0.069 -9.308 621 HG1 THR 88 HG1 THR 88 10.097 -0.683 -8.062 622 1HG2 THR 88 1HG2 THR 88 13.399 -0.108 -6.632 623 2HG2 THR 88 2HG2 THR 88 13.329 -1.521 -7.711 624 3HG2 THR 88 3HG2 THR 88 14.104 -0.017 -8.264 625 H ALA 89 H ALA 89 9.280 1.742 -6.447 626 HA ALA 89 HA ALA 89 7.608 1.913 -8.681 627 1HB ALA 89 1HB ALA 89 7.360 2.700 -5.763 628 2HB ALA 89 2HB ALA 89 6.023 2.924 -6.917 629 3HB ALA 89 3HB ALA 89 6.659 1.292 -6.597 630 H LYS 90 H LYS 90 6.582 3.727 -9.685 631 HA LYS 90 HA LYS 90 8.060 6.232 -9.266 632 1HB LYS 90 1HB LYS 90 7.265 4.758 -11.723 633 2HB LYS 90 2HB LYS 90 7.088 6.500 -11.772 634 1HG LYS 90 1HG LYS 90 9.647 5.077 -10.902 635 2HG LYS 90 2HG LYS 90 9.361 5.658 -12.530 636 1HD LYS 90 1HD LYS 90 8.859 7.690 -10.415 637 2HD LYS 90 2HD LYS 90 10.522 7.144 -10.498 638 1HE LYS 90 1HE LYS 90 10.881 8.098 -12.570 639 2HE LYS 90 2HE LYS 90 9.270 7.720 -13.145 640 1HZ LYS 90 1HZ LYS 90 10.011 9.909 -11.336 641 2HZ LYS 90 2HZ LYS 90 9.440 10.039 -12.860 642 3HZ LYS 90 3HZ LYS 90 8.465 9.502 -11.667 643 H GLU 91 H GLU 91 6.837 8.225 -9.426 644 HA GLU 91 HA GLU 91 4.149 7.797 -8.481 645 1HB GLU 91 1HB GLU 91 5.586 10.464 -8.739 646 2HB GLU 91 2HB GLU 91 4.237 10.068 -7.692 647 1HG GLU 91 1HG GLU 91 5.868 9.784 -6.105 648 2HG GLU 91 2HG GLU 91 6.037 8.197 -6.830 649 HA PRO 92 HA PRO 92 2.473 8.829 -8.291 650 1HB PRO 92 1HB PRO 92 -0.097 8.216 -8.987 651 2HB PRO 92 2HB PRO 92 0.454 9.855 -8.704 652 1HG PRO 92 1HG PRO 92 -0.131 8.514 -11.273 653 2HG PRO 92 2HG PRO 92 0.002 10.228 -10.935 654 1HD PRO 92 1HD PRO 92 1.959 8.576 -12.226 655 2HD PRO 92 2HD PRO 92 2.138 10.263 -11.784 656 H ILE 93 H ILE 93 2.146 7.090 -6.913 657 HA ILE 93 HA ILE 93 2.599 4.572 -8.321 658 HB ILE 93 HB ILE 93 2.903 5.297 -5.405 659 1HG1 ILE 93 1HG1 ILE 93 5.179 4.707 -7.277 660 2HG1 ILE 93 2HG1 ILE 93 4.476 6.312 -7.250 661 1HG2 ILE 93 1HG2 ILE 93 4.370 3.061 -5.720 662 2HG2 ILE 93 2HG2 ILE 93 2.672 3.061 -5.187 663 3HG2 ILE 93 3HG2 ILE 93 3.069 2.737 -6.892 664 1HD1 ILE 93 1HD1 ILE 93 5.112 5.054 -4.593 665 2HD1 ILE 93 2HD1 ILE 93 6.474 5.615 -5.592 666 3HD1 ILE 93 3HD1 ILE 93 5.206 6.760 -5.091 667 H VAL 94 H VAL 94 0.825 3.413 -8.829 668 HA VAL 94 HA VAL 94 -1.615 3.878 -7.365 669 HB VAL 94 HB VAL 94 -0.985 2.008 -9.657 670 1HG1 VAL 94 1HG1 VAL 94 -3.645 3.041 -8.614 671 2HG1 VAL 94 2HG1 VAL 94 -3.409 2.008 -10.045 672 3HG1 VAL 94 3HG1 VAL 94 -3.017 1.386 -8.424 673 1HG2 VAL 94 1HG2 VAL 94 -1.896 4.892 -9.596 674 2HG2 VAL 94 2HG2 VAL 94 -0.517 4.177 -10.465 675 3HG2 VAL 94 3HG2 VAL 94 -2.180 3.834 -10.998 676 H VAL 95 H VAL 95 -1.906 2.904 -5.426 677 HA VAL 95 HA VAL 95 -0.892 0.155 -5.182 678 HB VAL 95 HB VAL 95 -1.440 1.672 -2.724 679 1HG1 VAL 95 1HG1 VAL 95 1.086 0.753 -2.491 680 2HG1 VAL 95 2HG1 VAL 95 -0.353 -0.255 -2.202 681 3HG1 VAL 95 3HG1 VAL 95 0.491 -0.336 -3.768 682 1HG2 VAL 95 1HG2 VAL 95 -0.561 3.532 -3.983 683 2HG2 VAL 95 2HG2 VAL 95 0.701 2.958 -2.866 684 3HG2 VAL 95 3HG2 VAL 95 0.786 2.542 -4.595 685 H GLN 96 H GLN 96 -2.247 -1.363 -4.025 686 HA GLN 96 HA GLN 96 -4.977 -0.426 -3.683 687 1HB GLN 96 1HB GLN 96 -5.139 -1.485 -5.799 688 2HB GLN 96 2HB GLN 96 -4.020 -2.759 -5.360 689 1HG GLN 96 1HG GLN 96 -5.629 -3.982 -4.210 690 2HG GLN 96 2HG GLN 96 -6.509 -2.556 -3.697 691 1HE2 GLN 96 1HE2 GLN 96 -8.273 -1.967 -4.742 692 2HE2 GLN 96 2HE2 GLN 96 -8.842 -2.604 -6.249 693 H VAL 97 H VAL 97 -6.176 -1.523 -2.024 694 HA VAL 97 HA VAL 97 -4.615 -3.475 -0.491 695 HB VAL 97 HB VAL 97 -5.531 -2.362 1.565 696 1HG1 VAL 97 1HG1 VAL 97 -3.274 -1.974 1.326 697 2HG1 VAL 97 2HG1 VAL 97 -3.465 -1.160 -0.245 698 3HG1 VAL 97 3HG1 VAL 97 -3.893 -0.307 1.257 699 1HG2 VAL 97 1HG2 VAL 97 -7.330 -1.073 0.487 700 2HG2 VAL 97 2HG2 VAL 97 -6.236 -0.021 1.417 701 3HG2 VAL 97 3HG2 VAL 97 -6.115 -0.083 -0.358 702 H LEU 98 H LEU 98 -6.087 -4.703 1.086 703 HA LEU 98 HA LEU 98 -8.683 -5.091 -0.233 704 1HB LEU 98 1HB LEU 98 -6.627 -6.964 0.806 705 2HB LEU 98 2HB LEU 98 -8.303 -7.404 1.071 706 HG LEU 98 HG LEU 98 -7.121 -6.751 -1.642 707 1HD1 LEU 98 1HD1 LEU 98 -6.302 -8.871 -0.324 708 2HD1 LEU 98 2HD1 LEU 98 -7.880 -9.529 -0.818 709 3HD1 LEU 98 3HD1 LEU 98 -6.721 -8.975 -2.051 710 1HD2 LEU 98 1HD2 LEU 98 -9.375 -8.301 -2.014 711 2HD2 LEU 98 2HD2 LEU 98 -9.842 -7.217 -0.682 712 3HD2 LEU 98 3HD2 LEU 98 -9.264 -6.536 -2.221 713 H ARG 99 H ARG 99 -10.352 -4.296 0.915 714 HA ARG 99 HA ARG 99 -10.011 -4.298 3.806 715 1HB ARG 99 1HB ARG 99 -10.931 -2.246 1.916 716 2HB ARG 99 2HB ARG 99 -12.147 -2.544 3.143 717 1HG ARG 99 1HG ARG 99 -10.434 -2.204 4.931 718 2HG ARG 99 2HG ARG 99 -9.209 -1.922 3.710 719 1HD ARG 99 1HD ARG 99 -11.498 -0.203 3.179 720 2HD ARG 99 2HD ARG 99 -11.009 -0.010 4.851 721 HE ARG 99 HE ARG 99 -8.593 0.101 3.576 722 1HH1 ARG 99 1HH1 ARG 99 -11.646 1.730 2.939 723 2HH1 ARG 99 2HH1 ARG 99 -10.900 3.133 2.249 724 1HH2 ARG 99 1HH2 ARG 99 -7.608 1.951 2.667 725 2HH2 ARG 99 2HH2 ARG 99 -8.588 3.260 2.093 726 H ARG 100 H ARG 100 -11.713 -5.157 5.099 727 HA ARG 100 HA ARG 100 -13.157 -7.187 4.107 728 1HB ARG 100 1HB ARG 100 -14.456 -7.107 6.188 729 2HB ARG 100 2HB ARG 100 -12.801 -6.654 6.544 730 1HG ARG 100 1HG ARG 100 -14.288 -4.272 5.796 731 2HG ARG 100 2HG ARG 100 -15.184 -5.135 7.030 732 1HD ARG 100 1HD ARG 100 -13.777 -4.236 8.572 733 2HD ARG 100 2HD ARG 100 -12.508 -5.257 7.926 734 HE ARG 100 HE ARG 100 -12.635 -3.041 6.197 735 1HH1 ARG 100 1HH1 ARG 100 -12.001 -3.588 9.615 736 2HH1 ARG 100 2HH1 ARG 100 -10.964 -2.210 9.775 737 1HH2 ARG 100 1HH2 ARG 100 -11.267 -1.222 6.407 738 2HH2 ARG 100 2HH2 ARG 100 -10.544 -0.855 7.938 739 H THR 101 H THR 101 -15.761 -7.285 4.278 740 HA THR 101 HA THR 101 -16.785 -4.975 2.760 741 HB THR 101 HB THR 101 -16.445 -7.229 1.537 742 HG1 THR 101 HG1 THR 101 -19.131 -6.126 1.985 743 1HG2 THR 101 1HG2 THR 101 -17.976 -9.009 1.954 744 2HG2 THR 101 2HG2 THR 101 -17.451 -8.545 3.590 745 3HG2 THR 101 3HG2 THR 101 -19.022 -7.986 2.967 746 H SER 102 H SER 102 -18.228 -3.769 3.801 747 HA SER 102 HA SER 102 -20.266 -5.065 5.296 748 1HB SER 102 1HB SER 102 -18.147 -3.398 6.700 749 2HB SER 102 2HB SER 102 -19.754 -3.590 7.373 750 HG SER 102 HG SER 102 -17.977 -5.775 6.685 751 H GLY 103 H GLY 103 -18.512 -1.953 4.650 752 1HA GLY 103 1HA GLY 103 -19.639 -0.354 3.222 753 2HA GLY 103 2HA GLY 103 -21.136 -0.723 4.055 754 HA PRO 104 HA PRO 104 -19.466 2.863 6.207 755 1HB PRO 104 1HB PRO 104 -21.787 4.304 6.305 756 2HB PRO 104 2HB PRO 104 -20.603 4.480 5.025 757 1HG PRO 104 1HG PRO 104 -23.226 3.118 4.950 758 2HG PRO 104 2HG PRO 104 -22.237 3.671 3.612 759 1HD PRO 104 1HD PRO 104 -22.532 0.968 4.527 760 2HD PRO 104 2HD PRO 104 -21.456 1.536 3.266 761 H SER 105 H SER 105 -20.226 4.035 8.289 762 HA SER 105 HA SER 105 -20.997 1.840 9.984 763 1HB SER 105 1HB SER 105 -20.343 3.368 11.838 764 2HB SER 105 2HB SER 105 -19.061 3.179 10.658 765 HG SER 105 HG SER 105 -20.916 5.342 10.349 766 H SER 106 H SER 106 -22.860 1.862 11.360 767 HA SER 106 HA SER 106 -24.880 3.717 10.433 768 1HB SER 106 1HB SER 106 -25.125 1.104 10.565 769 2HB SER 106 2HB SER 106 -25.372 1.363 12.280 770 HG SER 106 HG SER 106 -26.883 2.905 10.388 771 H GLY 107 H GLY 107 -24.352 5.622 11.626 772 1HA GLY 107 1HA GLY 107 -24.525 5.339 14.566 773 2HA GLY 107 2HA GLY 107 -23.557 6.540 13.734 Start of MODEL 3 1 1H GLY 1 1H GLY 1 -15.951 -26.808 -8.434 2 1HA GLY 1 1HA GLY 1 -17.448 -25.149 -8.092 3 2HA GLY 1 2HA GLY 1 -18.653 -26.336 -7.633 4 H SER 2 H SER 2 -15.755 -24.542 -6.452 5 HA SER 2 HA SER 2 -17.009 -24.534 -3.844 6 1HB SER 2 1HB SER 2 -14.962 -26.293 -4.314 7 2HB SER 2 2HB SER 2 -14.042 -24.885 -3.821 8 HG SER 2 HG SER 2 -14.718 -25.114 -1.792 9 H SER 3 H SER 3 -17.496 -22.305 -4.091 10 HA SER 3 HA SER 3 -15.258 -20.585 -4.735 11 1HB SER 3 1HB SER 3 -17.986 -20.538 -5.421 12 2HB SER 3 2HB SER 3 -17.833 -19.257 -4.236 13 HG SER 3 HG SER 3 -16.609 -18.081 -5.585 14 H GLY 4 H GLY 4 -14.842 -18.641 -3.361 15 1HA GLY 4 1HA GLY 4 -16.047 -18.249 -0.856 16 2HA GLY 4 2HA GLY 4 -14.646 -19.279 -0.636 17 H SER 5 H SER 5 -14.418 -16.937 0.633 18 HA SER 5 HA SER 5 -13.226 -15.140 0.869 19 1HB SER 5 1HB SER 5 -11.054 -15.014 -0.152 20 2HB SER 5 2HB SER 5 -11.406 -16.718 0.059 21 HG SER 5 HG SER 5 -11.264 -15.176 -2.332 22 H SER 6 H SER 6 -14.248 -13.215 0.455 23 HA SER 6 HA SER 6 -14.097 -12.189 -2.211 24 1HB SER 6 1HB SER 6 -16.288 -13.568 -1.983 25 2HB SER 6 2HB SER 6 -16.837 -12.306 -0.899 26 HG SER 6 HG SER 6 -15.828 -11.696 -3.533 27 H GLY 7 H GLY 7 -12.821 -10.484 -1.382 28 1HA GLY 7 1HA GLY 7 -14.080 -8.829 0.720 29 2HA GLY 7 2HA GLY 7 -12.358 -8.967 0.429 30 H LYS 8 H LYS 8 -13.092 -6.434 0.487 31 HA LYS 8 HA LYS 8 -13.763 -5.636 -2.245 32 1HB LYS 8 1HB LYS 8 -14.125 -4.435 0.454 33 2HB LYS 8 2HB LYS 8 -13.779 -3.324 -0.856 34 1HG LYS 8 1HG LYS 8 -16.038 -3.427 -1.228 35 2HG LYS 8 2HG LYS 8 -15.649 -4.909 -2.080 36 1HD LYS 8 1HD LYS 8 -15.891 -6.072 0.263 37 2HD LYS 8 2HD LYS 8 -16.698 -4.596 0.755 38 1HE LYS 8 1HE LYS 8 -18.605 -5.485 -0.109 39 2HE LYS 8 2HE LYS 8 -17.924 -5.184 -1.695 40 1HZ LYS 8 1HZ LYS 8 -18.438 -7.437 -1.615 41 2HZ LYS 8 2HZ LYS 8 -16.816 -7.396 -1.430 42 3HZ LYS 8 3HZ LYS 8 -17.778 -7.659 -0.137 43 H SER 9 H SER 9 -12.428 -4.147 -3.408 44 HA SER 9 HA SER 9 -9.750 -3.929 -2.276 45 1HB SER 9 1HB SER 9 -8.825 -4.251 -4.556 46 2HB SER 9 2HB SER 9 -9.731 -5.653 -4.023 47 HG SER 9 HG SER 9 -10.161 -4.042 -6.208 48 H LEU 10 H LEU 10 -9.087 -1.816 -2.106 49 HA LEU 10 HA LEU 10 -10.442 0.123 -3.850 50 1HB LEU 10 1HB LEU 10 -9.231 1.042 -1.317 51 2HB LEU 10 2HB LEU 10 -10.686 1.570 -2.138 52 HG LEU 10 HG LEU 10 -11.332 0.603 -0.061 53 1HD1 LEU 10 1HD1 LEU 10 -12.345 -0.239 -2.478 54 2HD1 LEU 10 2HD1 LEU 10 -12.076 -1.769 -1.609 55 3HD1 LEU 10 3HD1 LEU 10 -13.091 -0.499 -0.883 56 1HD2 LEU 10 1HD2 LEU 10 -10.443 -2.146 -0.445 57 2HD2 LEU 10 2HD2 LEU 10 -9.086 -1.000 -0.330 58 3HD2 LEU 10 3HD2 LEU 10 -10.298 -1.077 0.971 59 H THR 11 H THR 11 -9.162 1.833 -4.745 60 HA THR 11 HA THR 11 -6.318 1.110 -4.879 61 HB THR 11 HB THR 11 -7.695 3.030 -6.768 62 HG1 THR 11 HG1 THR 11 -8.985 1.355 -7.445 63 1HG2 THR 11 1HG2 THR 11 -5.347 2.505 -7.244 64 2HG2 THR 11 2HG2 THR 11 -5.652 0.765 -7.030 65 3HG2 THR 11 3HG2 THR 11 -6.349 1.626 -8.422 66 H LEU 12 H LEU 12 -4.685 2.555 -4.426 67 HA LEU 12 HA LEU 12 -5.517 5.219 -3.576 68 1HB LEU 12 1HB LEU 12 -3.534 4.282 -1.759 69 2HB LEU 12 2HB LEU 12 -5.143 4.895 -1.434 70 HG LEU 12 HG LEU 12 -5.777 2.374 -2.179 71 1HD1 LEU 12 1HD1 LEU 12 -3.863 1.161 -0.634 72 2HD1 LEU 12 2HD1 LEU 12 -3.924 1.144 -2.413 73 3HD1 LEU 12 3HD1 LEU 12 -2.906 2.336 -1.568 74 1HD2 LEU 12 1HD2 LEU 12 -5.724 3.892 0.191 75 2HD2 LEU 12 2HD2 LEU 12 -6.652 2.411 -0.142 76 3HD2 LEU 12 3HD2 LEU 12 -5.040 2.302 0.605 77 H VAL 13 H VAL 13 -4.074 6.811 -4.160 78 HA VAL 13 HA VAL 13 -1.742 5.853 -5.641 79 HB VAL 13 HB VAL 13 -3.700 7.504 -6.419 80 1HG1 VAL 13 1HG1 VAL 13 -3.251 9.194 -4.706 81 2HG1 VAL 13 2HG1 VAL 13 -1.574 9.352 -5.282 82 3HG1 VAL 13 3HG1 VAL 13 -2.926 9.842 -6.332 83 1HG2 VAL 13 1HG2 VAL 13 -0.838 8.034 -7.251 84 2HG2 VAL 13 2HG2 VAL 13 -1.711 6.548 -7.697 85 3HG2 VAL 13 3HG2 VAL 13 -2.316 8.132 -8.238 86 H LEU 14 H LEU 14 0.193 5.887 -4.634 87 HA LEU 14 HA LEU 14 0.498 7.815 -2.440 88 1HB LEU 14 1HB LEU 14 2.006 5.234 -2.857 89 2HB LEU 14 2HB LEU 14 2.080 6.296 -1.464 90 HG LEU 14 HG LEU 14 -0.247 4.567 -2.332 91 1HD1 LEU 14 1HD1 LEU 14 1.546 3.375 -1.187 92 2HD1 LEU 14 2HD1 LEU 14 1.477 4.536 0.160 93 3HD1 LEU 14 3HD1 LEU 14 0.090 3.470 -0.167 94 1HD2 LEU 14 1HD2 LEU 14 -0.919 5.600 0.138 95 2HD2 LEU 14 2HD2 LEU 14 -0.238 7.004 -0.717 96 3HD2 LEU 14 3HD2 LEU 14 -1.594 6.100 -1.431 97 H HIS 15 H HIS 15 2.633 8.839 -2.209 98 HA HIS 15 HA HIS 15 4.072 8.907 -4.758 99 1HB HIS 15 1HB HIS 15 3.427 11.291 -3.000 100 2HB HIS 15 2HB HIS 15 4.390 11.323 -4.464 101 HD1 HIS 15 HD1 HIS 15 3.163 11.593 -6.664 102 HD2 HIS 15 HD2 HIS 15 0.602 10.649 -3.479 103 HE1 HIS 15 HE1 HIS 15 0.786 11.830 -7.563 104 H ARG 16 H ARG 16 6.186 10.559 -4.034 105 HA ARG 16 HA ARG 16 7.297 9.077 -1.786 106 1HB ARG 16 1HB ARG 16 8.422 9.770 -4.494 107 2HB ARG 16 2HB ARG 16 9.540 9.803 -3.145 108 1HG ARG 16 1HG ARG 16 8.061 7.419 -2.772 109 2HG ARG 16 2HG ARG 16 8.336 7.494 -4.502 110 1HD ARG 16 1HD ARG 16 10.674 7.389 -4.282 111 2HD ARG 16 2HD ARG 16 10.667 8.099 -2.680 112 HE ARG 16 HE ARG 16 9.329 5.496 -2.782 113 1HH1 ARG 16 1HH1 ARG 16 12.425 7.127 -2.412 114 2HH1 ARG 16 2HH1 ARG 16 13.166 5.805 -1.573 115 1HH2 ARG 16 1HH2 ARG 16 10.305 3.752 -1.676 116 2HH2 ARG 16 2HH2 ARG 16 11.952 3.872 -1.151 117 H ASP 17 H ASP 17 7.463 10.471 -0.053 118 HA ASP 17 HA ASP 17 7.961 13.261 -0.661 119 1HB ASP 17 1HB ASP 17 6.136 13.135 0.815 120 2HB ASP 17 2HB ASP 17 6.775 11.737 1.654 121 H SER 18 H SER 18 10.294 13.003 -1.074 122 HA SER 18 HA SER 18 12.404 12.860 -0.582 123 1HB SER 18 1HB SER 18 11.149 14.084 1.777 124 2HB SER 18 2HB SER 18 12.651 13.281 2.191 125 HG SER 18 HG SER 18 12.230 15.390 0.267 126 H GLY 19 H GLY 19 12.348 10.509 -1.042 127 1HA GLY 19 1HA GLY 19 12.551 8.311 -0.532 128 2HA GLY 19 2HA GLY 19 13.747 8.909 0.601 129 H SER 20 H SER 20 10.126 8.643 0.332 130 HA SER 20 HA SER 20 9.896 6.993 2.520 131 1HB SER 20 1HB SER 20 10.594 9.421 3.492 132 2HB SER 20 2HB SER 20 8.867 9.685 3.365 133 HG SER 20 HG SER 20 10.227 8.302 5.269 134 H LEU 21 H LEU 21 8.066 5.924 1.873 135 HA LEU 21 HA LEU 21 6.235 7.102 0.083 136 1HB LEU 21 1HB LEU 21 6.468 4.521 1.563 137 2HB LEU 21 2HB LEU 21 4.923 4.940 0.851 138 HG LEU 21 HG LEU 21 6.219 3.512 -0.632 139 1HD1 LEU 21 1HD1 LEU 21 5.111 6.055 -1.334 140 2HD1 LEU 21 2HD1 LEU 21 6.490 5.708 -2.405 141 3HD1 LEU 21 3HD1 LEU 21 5.149 4.545 -2.275 142 1HD2 LEU 21 1HD2 LEU 21 8.317 4.202 -1.630 143 2HD2 LEU 21 2HD2 LEU 21 8.288 5.725 -0.709 144 3HD2 LEU 21 3HD2 LEU 21 8.465 4.173 0.144 145 H GLY 22 H GLY 22 6.517 6.964 3.596 146 1HA GLY 22 1HA GLY 22 5.373 8.540 4.920 147 2HA GLY 22 2HA GLY 22 4.041 8.542 3.782 148 H PHE 23 H PHE 23 5.640 5.519 4.803 149 HA PHE 23 HA PHE 23 3.955 4.947 6.961 150 1HB PHE 23 1HB PHE 23 2.302 3.559 5.893 151 2HB PHE 23 2HB PHE 23 2.414 4.938 4.817 152 HD1 PHE 23 HD1 PHE 23 1.829 1.706 4.597 153 HD2 PHE 23 HD2 PHE 23 4.814 4.414 3.266 154 HE1 PHE 23 HE1 PHE 23 2.369 0.172 2.685 155 HE2 PHE 23 HE2 PHE 23 5.354 2.879 1.355 156 HZ PHE 23 HZ PHE 23 4.125 0.777 1.087 157 H ASN 24 H ASN 24 3.816 2.232 7.007 158 HA ASN 24 HA ASN 24 6.419 1.307 6.127 159 1HB ASN 24 1HB ASN 24 5.779 1.942 8.838 160 2HB ASN 24 2HB ASN 24 5.725 0.193 8.751 161 1HD2 ASN 24 1HD2 ASN 24 7.540 -0.864 8.982 162 2HD2 ASN 24 2HD2 ASN 24 9.145 -0.253 8.760 163 H ILE 25 H ILE 25 6.511 -1.201 6.318 164 HA ILE 25 HA ILE 25 3.810 -2.344 6.236 165 HB ILE 25 HB ILE 25 4.993 -3.892 4.449 166 1HG1 ILE 25 1HG1 ILE 25 6.355 -1.244 3.905 167 2HG1 ILE 25 2HG1 ILE 25 7.156 -2.587 4.696 168 1HG2 ILE 25 1HG2 ILE 25 3.599 -1.251 4.086 169 2HG2 ILE 25 2HG2 ILE 25 4.104 -2.225 2.684 170 3HG2 ILE 25 3HG2 ILE 25 2.970 -2.903 3.877 171 1HD1 ILE 25 1HD1 ILE 25 7.601 -3.489 2.671 172 2HD1 ILE 25 2HD1 ILE 25 5.854 -3.663 2.381 173 3HD1 ILE 25 3HD1 ILE 25 6.697 -2.179 1.874 174 H ILE 26 H ILE 26 3.802 -4.732 6.654 175 HA ILE 26 HA ILE 26 6.118 -5.502 8.285 176 HB ILE 26 HB ILE 26 4.785 -6.274 10.012 177 1HG1 ILE 26 1HG1 ILE 26 2.291 -5.917 8.326 178 2HG1 ILE 26 2HG1 ILE 26 3.139 -7.440 8.513 179 1HG2 ILE 26 1HG2 ILE 26 4.841 -3.684 9.532 180 2HG2 ILE 26 2HG2 ILE 26 3.088 -3.909 9.319 181 3HG2 ILE 26 3HG2 ILE 26 3.861 -4.355 10.858 182 1HD1 ILE 26 1HD1 ILE 26 1.802 -5.795 10.703 183 2HD1 ILE 26 2HD1 ILE 26 1.361 -7.427 10.144 184 3HD1 ILE 26 3HD1 ILE 26 2.876 -7.173 11.044 185 H GLY 27 H GLY 27 6.210 -7.948 8.606 186 1HA GLY 27 1HA GLY 27 5.417 -10.077 7.776 187 2HA GLY 27 2HA GLY 27 5.125 -9.322 6.222 188 H GLY 28 H GLY 28 6.521 -10.878 5.163 189 1HA GLY 28 1HA GLY 28 8.471 -11.444 4.192 190 2HA GLY 28 2HA GLY 28 9.195 -10.003 4.878 191 H ARG 29 H ARG 29 11.018 -10.544 5.995 192 HA ARG 29 HA ARG 29 12.357 -11.518 7.382 193 1HB ARG 29 1HB ARG 29 9.798 -11.613 8.706 194 2HB ARG 29 2HB ARG 29 10.616 -13.122 9.061 195 1HG ARG 29 1HG ARG 29 11.740 -11.974 10.673 196 2HG ARG 29 2HG ARG 29 12.668 -11.261 9.368 197 1HD ARG 29 1HD ARG 29 11.579 -9.228 9.514 198 2HD ARG 29 2HD ARG 29 10.027 -9.961 9.869 199 HE ARG 29 HE ARG 29 11.835 -8.916 11.804 200 1HH1 ARG 29 1HH1 ARG 29 9.856 -11.781 11.299 201 2HH1 ARG 29 2HH1 ARG 29 9.645 -12.090 12.990 202 1HH2 ARG 29 1HH2 ARG 29 11.556 -9.322 14.035 203 2HH2 ARG 29 2HH2 ARG 29 10.618 -10.682 14.557 204 HA PRO 30 HA PRO 30 12.935 -15.663 6.151 205 1HB PRO 30 1HB PRO 30 14.479 -16.750 8.127 206 2HB PRO 30 2HB PRO 30 15.121 -15.706 6.875 207 1HG PRO 30 1HG PRO 30 14.589 -15.083 9.715 208 2HG PRO 30 2HG PRO 30 15.602 -14.222 8.574 209 1HD PRO 30 1HD PRO 30 12.983 -13.459 9.460 210 2HD PRO 30 2HD PRO 30 13.948 -12.662 8.234 211 H SER 31 H SER 31 12.535 -17.988 6.420 212 HA SER 31 HA SER 31 10.891 -18.557 8.698 213 1HB SER 31 1HB SER 31 9.541 -17.592 6.551 214 2HB SER 31 2HB SER 31 9.624 -19.276 6.075 215 HG SER 31 HG SER 31 8.475 -18.182 8.493 216 H VAL 32 H VAL 32 12.070 -19.627 5.438 217 HA VAL 32 HA VAL 32 13.069 -21.482 4.771 218 HB VAL 32 HB VAL 32 13.445 -22.099 7.708 219 1HG1 VAL 32 1HG1 VAL 32 13.899 -24.040 6.350 220 2HG1 VAL 32 2HG1 VAL 32 14.877 -23.077 5.216 221 3HG1 VAL 32 3HG1 VAL 32 15.451 -23.347 6.880 222 1HG2 VAL 32 1HG2 VAL 32 14.296 -19.815 6.556 223 2HG2 VAL 32 2HG2 VAL 32 15.210 -20.670 7.822 224 3HG2 VAL 32 3HG2 VAL 32 15.643 -20.889 6.109 225 H ASP 33 H ASP 33 11.602 -22.746 7.837 226 HA ASP 33 HA ASP 33 10.718 -25.061 6.946 227 1HB ASP 33 1HB ASP 33 10.121 -23.340 9.125 228 2HB ASP 33 2HB ASP 33 8.559 -23.777 8.461 229 H ASN 34 H ASN 34 8.649 -25.872 6.025 230 HA ASN 34 HA ASN 34 6.833 -25.815 4.816 231 1HB ASN 34 1HB ASN 34 6.256 -23.679 6.214 232 2HB ASN 34 2HB ASN 34 6.817 -22.760 4.831 233 1HD2 ASN 34 1HD2 ASN 34 5.432 -22.292 3.298 234 2HD2 ASN 34 2HD2 ASN 34 3.899 -23.044 3.010 235 H HIS 35 H HIS 35 7.285 -26.402 2.688 236 HA HIS 35 HA HIS 35 8.897 -24.536 1.117 237 1HB HIS 35 1HB HIS 35 8.375 -27.480 0.626 238 2HB HIS 35 2HB HIS 35 9.471 -26.451 -0.273 239 HD1 HIS 35 HD1 HIS 35 9.032 -27.777 3.293 240 HD2 HIS 35 HD2 HIS 35 12.035 -26.405 0.705 241 HE1 HIS 35 HE1 HIS 35 11.247 -28.156 4.502 242 H ASP 36 H ASP 36 8.199 -23.844 -0.948 243 HA ASP 36 HA ASP 36 5.989 -24.874 -2.230 244 1HB ASP 36 1HB ASP 36 5.347 -23.069 -0.052 245 2HB ASP 36 2HB ASP 36 4.932 -22.284 -1.562 246 H GLY 37 H GLY 37 5.709 -23.741 -4.293 247 1HA GLY 37 1HA GLY 37 7.680 -21.578 -4.730 248 2HA GLY 37 2HA GLY 37 7.256 -22.804 -5.909 249 H SER 38 H SER 38 5.762 -20.189 -3.882 250 HA SER 38 HA SER 38 4.596 -18.981 -6.085 251 1HB SER 38 1HB SER 38 2.166 -19.444 -5.515 252 2HB SER 38 2HB SER 38 3.026 -20.797 -6.222 253 HG SER 38 HG SER 38 3.384 -21.585 -3.988 254 H SER 39 H SER 39 3.407 -19.730 -2.721 255 HA SER 39 HA SER 39 3.309 -16.889 -2.242 256 1HB SER 39 1HB SER 39 1.542 -18.812 -1.596 257 2HB SER 39 2HB SER 39 2.536 -18.919 -0.157 258 HG SER 39 HG SER 39 2.127 -16.716 0.307 259 H SER 40 H SER 40 4.106 -16.108 0.003 260 HA SER 40 HA SER 40 6.263 -17.704 1.039 261 1HB SER 40 1HB SER 40 6.851 -15.784 -0.884 262 2HB SER 40 2HB SER 40 7.092 -14.893 0.606 263 HG SER 40 HG SER 40 9.058 -15.869 0.207 264 H GLU 41 H GLU 41 5.374 -14.179 1.182 265 HA GLU 41 HA GLU 41 4.505 -14.651 3.917 266 1HB GLU 41 1HB GLU 41 6.347 -12.392 3.015 267 2HB GLU 41 2HB GLU 41 5.655 -12.540 4.618 268 1HG GLU 41 1HG GLU 41 7.270 -14.823 3.433 269 2HG GLU 41 2HG GLU 41 8.082 -13.462 4.180 270 H GLY 42 H GLY 42 3.692 -12.122 4.653 271 1HA GLY 42 1HA GLY 42 1.824 -11.337 2.495 272 2HA GLY 42 2HA GLY 42 1.341 -11.506 4.171 273 H ILE 43 H ILE 43 1.650 -9.149 2.095 274 HA ILE 43 HA ILE 43 3.365 -7.439 3.736 275 HB ILE 43 HB ILE 43 2.217 -6.974 0.981 276 1HG1 ILE 43 1HG1 ILE 43 3.717 -8.729 0.661 277 2HG1 ILE 43 2HG1 ILE 43 4.674 -7.300 0.321 278 1HG2 ILE 43 1HG2 ILE 43 4.178 -5.249 1.031 279 2HG2 ILE 43 2HG2 ILE 43 2.613 -4.848 1.780 280 3HG2 ILE 43 3HG2 ILE 43 3.980 -5.363 2.796 281 1HD1 ILE 43 1HD1 ILE 43 5.351 -7.395 2.848 282 2HD1 ILE 43 2HD1 ILE 43 4.729 -9.062 2.791 283 3HD1 ILE 43 3HD1 ILE 43 6.078 -8.579 1.735 284 H PHE 44 H PHE 44 2.431 -6.174 5.242 285 HA PHE 44 HA PHE 44 -0.250 -5.171 4.661 286 1HB PHE 44 1HB PHE 44 0.825 -6.576 7.175 287 2HB PHE 44 2HB PHE 44 -0.662 -5.650 7.194 288 HD1 PHE 44 HD1 PHE 44 -2.688 -6.621 6.507 289 HD2 PHE 44 HD2 PHE 44 0.966 -8.586 5.617 290 HE1 PHE 44 HE1 PHE 44 -3.962 -8.650 5.757 291 HE2 PHE 44 HE2 PHE 44 -0.307 -10.615 4.867 292 HZ PHE 44 HZ PHE 44 -2.756 -10.623 4.946 293 H VAL 45 H VAL 45 -0.829 -3.249 5.990 294 HA VAL 45 HA VAL 45 1.594 -1.726 6.585 295 HB VAL 45 HB VAL 45 -1.259 -0.902 6.016 296 1HG1 VAL 45 1HG1 VAL 45 -0.035 1.416 5.814 297 2HG1 VAL 45 2HG1 VAL 45 -0.565 0.815 7.403 298 3HG1 VAL 45 3HG1 VAL 45 1.141 0.665 6.919 299 1HG2 VAL 45 1HG2 VAL 45 0.451 -1.783 4.182 300 2HG2 VAL 45 2HG2 VAL 45 -0.629 -0.403 3.867 301 3HG2 VAL 45 3HG2 VAL 45 1.072 -0.120 4.310 302 H SER 46 H SER 46 2.182 -1.397 8.664 303 HA SER 46 HA SER 46 0.071 -1.748 10.647 304 1HB SER 46 1HB SER 46 1.778 -3.522 10.773 305 2HB SER 46 2HB SER 46 3.057 -2.328 10.863 306 HG SER 46 HG SER 46 2.501 -3.158 12.971 307 H LYS 47 H LYS 47 1.875 0.536 9.038 308 HA LYS 47 HA LYS 47 1.495 2.445 11.166 309 1HB LYS 47 1HB LYS 47 3.902 1.279 11.224 310 2HB LYS 47 2HB LYS 47 4.238 2.472 9.985 311 1HG LYS 47 1HG LYS 47 2.761 3.796 12.075 312 2HG LYS 47 2HG LYS 47 4.028 2.860 12.843 313 1HD LYS 47 1HD LYS 47 5.680 3.884 11.184 314 2HD LYS 47 2HD LYS 47 4.387 4.927 10.624 315 1HE LYS 47 1HE LYS 47 4.656 6.333 12.389 316 2HE LYS 47 2HE LYS 47 4.515 5.015 13.536 317 1HZ LYS 47 1HZ LYS 47 6.773 6.377 12.952 318 2HZ LYS 47 2HZ LYS 47 6.695 4.969 13.775 319 3HZ LYS 47 3HZ LYS 47 6.991 4.961 12.169 320 H ILE 48 H ILE 48 1.599 4.679 10.360 321 HA ILE 48 HA ILE 48 1.909 5.037 7.529 322 HB ILE 48 HB ILE 48 -0.807 5.142 8.828 323 1HG1 ILE 48 1HG1 ILE 48 0.420 3.603 6.544 324 2HG1 ILE 48 2HG1 ILE 48 -0.410 2.992 7.961 325 1HG2 ILE 48 1HG2 ILE 48 -1.684 6.349 6.998 326 2HG2 ILE 48 2HG2 ILE 48 -0.245 7.250 7.533 327 3HG2 ILE 48 3HG2 ILE 48 -0.163 6.223 6.081 328 1HD1 ILE 48 1HD1 ILE 48 -1.705 4.601 5.713 329 2HD1 ILE 48 2HD1 ILE 48 -1.865 2.847 5.967 330 3HD1 ILE 48 3HD1 ILE 48 -2.549 3.984 7.154 331 H VAL 49 H VAL 49 2.337 7.200 7.012 332 HA VAL 49 HA VAL 49 2.758 8.874 9.357 333 HB VAL 49 HB VAL 49 3.680 9.110 6.485 334 1HG1 VAL 49 1HG1 VAL 49 3.612 11.056 8.608 335 2HG1 VAL 49 2HG1 VAL 49 5.302 10.650 8.223 336 3HG1 VAL 49 3HG1 VAL 49 4.211 11.227 6.940 337 1HG2 VAL 49 1HG2 VAL 49 4.550 7.299 8.322 338 2HG2 VAL 49 2HG2 VAL 49 5.562 7.980 7.026 339 3HG2 VAL 49 3HG2 VAL 49 5.634 8.669 8.666 340 H ASP 50 H ASP 50 1.474 10.589 9.847 341 HA ASP 50 HA ASP 50 -0.913 10.938 8.535 342 1HB ASP 50 1HB ASP 50 0.300 11.887 10.860 343 2HB ASP 50 2HB ASP 50 0.149 13.349 9.906 344 H SER 51 H SER 51 1.812 13.357 8.799 345 HA SER 51 HA SER 51 0.892 14.941 6.740 346 1HB SER 51 1HB SER 51 3.120 14.872 8.544 347 2HB SER 51 2HB SER 51 3.777 15.105 6.936 348 HG SER 51 HG SER 51 3.307 17.163 7.659 349 H GLY 52 H GLY 52 2.338 11.818 6.672 350 1HA GLY 52 1HA GLY 52 3.886 11.936 4.329 351 2HA GLY 52 2HA GLY 52 3.149 10.511 5.034 352 HA PRO 53 HA PRO 53 0.879 11.931 1.203 353 1HB PRO 53 1HB PRO 53 2.185 10.641 -0.822 354 2HB PRO 53 2HB PRO 53 2.458 12.326 -0.426 355 1HG PRO 53 1HG PRO 53 4.176 9.989 0.139 356 2HG PRO 53 2HG PRO 53 4.602 11.688 0.135 357 1HD PRO 53 1HD PRO 53 4.151 10.037 2.436 358 2HD PRO 53 2HD PRO 53 4.462 11.762 2.428 359 H ALA 54 H ALA 54 1.653 9.236 2.875 360 HA ALA 54 HA ALA 54 0.105 7.420 1.254 361 1HB ALA 54 1HB ALA 54 0.854 6.739 4.056 362 2HB ALA 54 2HB ALA 54 1.053 5.800 2.557 363 3HB ALA 54 3HB ALA 54 2.203 7.099 2.952 364 H ALA 55 H ALA 55 -0.218 9.366 4.260 365 HA ALA 55 HA ALA 55 -2.913 8.336 4.633 366 1HB ALA 55 1HB ALA 55 -2.797 9.635 6.742 367 2HB ALA 55 2HB ALA 55 -1.419 8.520 6.578 368 3HB ALA 55 3HB ALA 55 -1.200 10.257 6.261 369 H LYS 56 H LYS 56 -1.171 11.483 4.138 370 HA LYS 56 HA LYS 56 -3.236 13.199 4.078 371 1HB LYS 56 1HB LYS 56 -0.649 13.028 2.592 372 2HB LYS 56 2HB LYS 56 -1.805 14.239 2.075 373 1HG LYS 56 1HG LYS 56 -1.439 14.064 5.028 374 2HG LYS 56 2HG LYS 56 -0.010 14.570 4.149 375 1HD LYS 56 1HD LYS 56 -0.955 16.571 3.474 376 2HD LYS 56 2HD LYS 56 -2.556 15.881 3.292 377 1HE LYS 56 1HE LYS 56 -3.042 16.064 5.619 378 2HE LYS 56 2HE LYS 56 -1.352 16.199 6.061 379 1HZ LYS 56 1HZ LYS 56 -1.306 18.366 5.487 380 2HZ LYS 56 2HZ LYS 56 -2.433 18.237 4.313 381 3HZ LYS 56 3HZ LYS 56 -2.889 18.277 5.880 382 H GLU 57 H GLU 57 -1.989 12.146 0.865 383 HA GLU 57 HA GLU 57 -4.768 12.059 0.022 384 1HB GLU 57 1HB GLU 57 -2.179 12.361 -1.560 385 2HB GLU 57 2HB GLU 57 -3.756 12.207 -2.308 386 1HG GLU 57 1HG GLU 57 -4.495 14.225 -0.882 387 2HG GLU 57 2HG GLU 57 -2.809 14.435 -0.453 388 H GLY 58 H GLY 58 -1.798 10.151 0.383 389 1HA GLY 58 1HA GLY 58 -1.901 8.056 -1.209 390 2HA GLY 58 2HA GLY 58 -1.664 7.870 0.517 391 H GLY 59 H GLY 59 -3.948 8.117 1.805 392 1HA GLY 59 1HA GLY 59 -6.234 7.587 1.823 393 2HA GLY 59 2HA GLY 59 -6.055 6.708 0.318 394 H LEU 60 H LEU 60 -3.335 5.697 1.737 395 HA LEU 60 HA LEU 60 -4.192 3.160 2.295 396 1HB LEU 60 1HB LEU 60 -1.830 4.252 1.995 397 2HB LEU 60 2HB LEU 60 -1.857 4.347 3.744 398 HG LEU 60 HG LEU 60 -1.982 1.978 3.978 399 1HD1 LEU 60 1HD1 LEU 60 -1.973 0.528 1.849 400 2HD1 LEU 60 2HD1 LEU 60 -3.514 1.238 2.385 401 3HD1 LEU 60 3HD1 LEU 60 -2.618 1.973 1.034 402 1HD2 LEU 60 1HD2 LEU 60 -0.023 2.299 1.714 403 2HD2 LEU 60 2HD2 LEU 60 0.224 3.116 3.276 404 3HD2 LEU 60 3HD2 LEU 60 0.121 1.340 3.208 405 H GLN 61 H GLN 61 -3.859 2.075 4.594 406 HA GLN 61 HA GLN 61 -4.607 3.697 6.779 407 1HB GLN 61 1HB GLN 61 -6.765 3.047 5.233 408 2HB GLN 61 2HB GLN 61 -6.722 1.644 6.282 409 1HG GLN 61 1HG GLN 61 -6.362 3.602 8.152 410 2HG GLN 61 2HG GLN 61 -7.273 4.511 6.963 411 1HE2 GLN 61 1HE2 GLN 61 -8.951 2.706 5.877 412 2HE2 GLN 61 2HE2 GLN 61 -10.065 2.079 7.045 413 H ILE 62 H ILE 62 -3.731 2.749 8.580 414 HA ILE 62 HA ILE 62 -2.173 0.577 8.555 415 HB ILE 62 HB ILE 62 -3.921 1.389 10.878 416 1HG1 ILE 62 1HG1 ILE 62 -1.631 2.743 9.550 417 2HG1 ILE 62 2HG1 ILE 62 -3.002 3.421 10.407 418 1HG2 ILE 62 1HG2 ILE 62 -1.150 0.169 10.884 419 2HG2 ILE 62 2HG2 ILE 62 -2.200 0.501 12.283 420 3HG2 ILE 62 3HG2 ILE 62 -2.656 -0.754 11.106 421 1HD1 ILE 62 1HD1 ILE 62 -0.647 1.988 11.723 422 2HD1 ILE 62 2HD1 ILE 62 -0.891 3.751 11.674 423 3HD1 ILE 62 3HD1 ILE 62 -2.026 2.720 12.579 424 H HIS 63 H HIS 63 -2.397 -1.660 9.367 425 HA HIS 63 HA HIS 63 -3.292 -3.658 9.229 426 1HB HIS 63 1HB HIS 63 -5.985 -2.460 9.876 427 2HB HIS 63 2HB HIS 63 -5.377 -4.054 10.279 428 HD1 HIS 63 HD1 HIS 63 -6.332 -1.380 12.117 429 HD2 HIS 63 HD2 HIS 63 -2.590 -3.249 11.810 430 HE1 HIS 63 HE1 HIS 63 -5.062 -0.791 14.250 431 H ASP 64 H ASP 64 -2.860 -2.575 6.777 432 HA ASP 64 HA ASP 64 -5.218 -3.488 5.334 433 1HB ASP 64 1HB ASP 64 -3.577 -0.985 4.980 434 2HB ASP 64 2HB ASP 64 -4.169 -1.768 3.527 435 H ARG 65 H ARG 65 -4.700 -5.006 3.704 436 HA ARG 65 HA ARG 65 -1.894 -5.635 3.490 437 1HB ARG 65 1HB ARG 65 -3.774 -7.370 3.967 438 2HB ARG 65 2HB ARG 65 -4.228 -7.190 2.284 439 1HG ARG 65 1HG ARG 65 -1.678 -7.664 1.791 440 2HG ARG 65 2HG ARG 65 -1.639 -8.286 3.429 441 1HD ARG 65 1HD ARG 65 -3.373 -9.940 2.921 442 2HD ARG 65 2HD ARG 65 -3.671 -9.224 1.350 443 HE ARG 65 HE ARG 65 -0.974 -9.836 1.248 444 1HH1 ARG 65 1HH1 ARG 65 -3.861 -11.695 2.017 445 2HH1 ARG 65 2HH1 ARG 65 -3.200 -13.195 1.455 446 1HH2 ARG 65 1HH2 ARG 65 -0.102 -11.814 0.507 447 2HH2 ARG 65 2HH2 ARG 65 -1.048 -13.263 0.590 448 H ILE 66 H ILE 66 -0.728 -4.899 1.741 449 HA ILE 66 HA ILE 66 -2.039 -3.565 -0.387 450 HB ILE 66 HB ILE 66 0.832 -4.440 -0.391 451 1HG1 ILE 66 1HG1 ILE 66 -0.501 -2.487 1.451 452 2HG1 ILE 66 2HG1 ILE 66 0.779 -3.638 1.779 453 1HG2 ILE 66 1HG2 ILE 66 -0.597 -1.969 -1.407 454 2HG2 ILE 66 2HG2 ILE 66 1.154 -2.272 -1.508 455 3HG2 ILE 66 3HG2 ILE 66 0.017 -3.322 -2.388 456 1HD1 ILE 66 1HD1 ILE 66 0.975 -0.973 0.336 457 2HD1 ILE 66 2HD1 ILE 66 1.884 -1.535 1.759 458 3HD1 ILE 66 3HD1 ILE 66 2.236 -2.216 0.153 459 H ILE 67 H ILE 67 -2.484 -4.223 -2.482 460 HA ILE 67 HA ILE 67 -2.145 -7.101 -2.926 461 HB ILE 67 HB ILE 67 -4.012 -5.443 -4.545 462 1HG1 ILE 67 1HG1 ILE 67 -4.388 -4.652 -2.236 463 2HG1 ILE 67 2HG1 ILE 67 -5.762 -5.522 -2.889 464 1HG2 ILE 67 1HG2 ILE 67 -3.683 -7.814 -5.049 465 2HG2 ILE 67 2HG2 ILE 67 -4.167 -8.242 -3.391 466 3HG2 ILE 67 3HG2 ILE 67 -5.343 -7.491 -4.496 467 1HD1 ILE 67 1HD1 ILE 67 -5.130 -6.142 -0.499 468 2HD1 ILE 67 2HD1 ILE 67 -5.222 -7.517 -1.626 469 3HD1 ILE 67 3HD1 ILE 67 -3.637 -6.856 -1.155 470 H GLU 68 H GLU 68 -1.927 -3.848 -4.498 471 HA GLU 68 HA GLU 68 0.258 -4.909 -6.051 472 1HB GLU 68 1HB GLU 68 -2.341 -4.605 -7.172 473 2HB GLU 68 2HB GLU 68 -1.401 -3.261 -7.788 474 1HG GLU 68 1HG GLU 68 -0.506 -4.697 -9.301 475 2HG GLU 68 2HG GLU 68 0.372 -5.436 -7.977 476 H VAL 69 H VAL 69 1.661 -3.199 -6.933 477 HA VAL 69 HA VAL 69 1.039 -0.513 -5.982 478 HB VAL 69 HB VAL 69 2.544 -2.102 -4.429 479 1HG1 VAL 69 1HG1 VAL 69 4.254 -2.531 -6.106 480 2HG1 VAL 69 2HG1 VAL 69 4.512 -0.784 -6.330 481 3HG1 VAL 69 3HG1 VAL 69 4.936 -1.555 -4.782 482 1HG2 VAL 69 1HG2 VAL 69 3.705 0.570 -4.437 483 2HG2 VAL 69 2HG2 VAL 69 1.933 0.618 -4.599 484 3HG2 VAL 69 3HG2 VAL 69 2.678 -0.225 -3.220 485 H ASN 70 H ASN 70 1.178 0.778 -7.736 486 HA ASN 70 HA ASN 70 1.821 1.619 -9.627 487 1HB ASN 70 1HB ASN 70 4.144 1.403 -8.296 488 2HB ASN 70 2HB ASN 70 4.511 0.220 -9.536 489 1HD2 ASN 70 1HD2 ASN 70 4.190 3.522 -8.733 490 2HD2 ASN 70 2HD2 ASN 70 4.572 4.225 -10.269 491 H GLY 71 H GLY 71 0.931 -1.382 -9.286 492 1HA GLY 71 1HA GLY 71 0.128 -2.688 -11.061 493 2HA GLY 71 2HA GLY 71 1.445 -2.137 -12.078 494 H ARG 72 H ARG 72 2.663 -2.737 -8.952 495 HA ARG 72 HA ARG 72 3.655 -5.292 -9.893 496 1HB ARG 72 1HB ARG 72 4.875 -3.043 -8.595 497 2HB ARG 72 2HB ARG 72 4.927 -4.360 -7.440 498 1HG ARG 72 1HG ARG 72 5.704 -5.717 -9.676 499 2HG ARG 72 2HG ARG 72 6.272 -4.117 -10.112 500 1HD ARG 72 1HD ARG 72 7.633 -3.964 -8.085 501 2HD ARG 72 2HD ARG 72 6.922 -5.426 -7.430 502 HE ARG 72 HE ARG 72 8.012 -6.160 -9.924 503 1HH1 ARG 72 1HH1 ARG 72 9.200 -4.866 -6.874 504 2HH1 ARG 72 2HH1 ARG 72 10.768 -5.584 -7.034 505 1HH2 ARG 72 1HH2 ARG 72 10.081 -7.107 -10.134 506 2HH2 ARG 72 2HH2 ARG 72 11.273 -6.867 -8.900 507 H ASP 73 H ASP 73 3.078 -7.195 -8.846 508 HA ASP 73 HA ASP 73 1.120 -6.998 -6.814 509 1HB ASP 73 1HB ASP 73 1.287 -8.780 -8.660 510 2HB ASP 73 2HB ASP 73 2.619 -9.481 -7.763 511 H LEU 74 H LEU 74 1.449 -7.251 -4.570 512 HA LEU 74 HA LEU 74 4.091 -8.200 -3.727 513 1HB LEU 74 1HB LEU 74 2.713 -5.934 -2.325 514 2HB LEU 74 2HB LEU 74 4.382 -6.455 -2.209 515 HG LEU 74 HG LEU 74 3.103 -5.066 -4.580 516 1HD1 LEU 74 1HD1 LEU 74 4.806 -4.132 -2.298 517 2HD1 LEU 74 2HD1 LEU 74 4.952 -3.343 -3.887 518 3HD1 LEU 74 3HD1 LEU 74 3.381 -3.373 -3.049 519 1HD2 LEU 74 1HD2 LEU 74 5.981 -5.129 -4.656 520 2HD2 LEU 74 2HD2 LEU 74 5.335 -6.785 -4.558 521 3HD2 LEU 74 3HD2 LEU 74 4.800 -5.697 -5.861 522 H SER 75 H SER 75 0.962 -8.967 -3.929 523 HA SER 75 HA SER 75 0.136 -9.336 -1.322 524 1HB SER 75 1HB SER 75 -1.433 -11.024 -2.304 525 2HB SER 75 2HB SER 75 -1.418 -9.510 -3.187 526 HG SER 75 HG SER 75 -1.309 -11.203 -4.701 527 H ARG 76 H ARG 76 2.164 -11.323 -3.523 528 HA ARG 76 HA ARG 76 2.505 -13.188 -1.316 529 1HB ARG 76 1HB ARG 76 3.359 -14.769 -3.148 530 2HB ARG 76 2HB ARG 76 1.655 -14.373 -3.241 531 1HG ARG 76 1HG ARG 76 1.973 -12.865 -5.064 532 2HG ARG 76 2HG ARG 76 3.691 -12.709 -4.759 533 1HD ARG 76 1HD ARG 76 3.432 -15.450 -5.196 534 2HD ARG 76 2HD ARG 76 2.231 -14.793 -6.291 535 HE ARG 76 HE ARG 76 5.084 -14.639 -6.623 536 1HH1 ARG 76 1HH1 ARG 76 2.170 -12.725 -7.096 537 2HH1 ARG 76 2HH1 ARG 76 2.844 -11.783 -8.384 538 1HH2 ARG 76 1HH2 ARG 76 5.973 -13.398 -8.323 539 2HH2 ARG 76 2HH2 ARG 76 5.022 -12.169 -9.087 540 H ALA 77 H ALA 77 3.861 -10.482 -2.006 541 HA ALA 77 HA ALA 77 6.587 -11.404 -2.494 542 1HB ALA 77 1HB ALA 77 5.440 -8.590 -2.296 543 2HB ALA 77 2HB ALA 77 7.069 -9.038 -2.856 544 3HB ALA 77 3HB ALA 77 5.641 -9.505 -3.810 545 H THR 78 H THR 78 8.264 -9.998 -1.103 546 HA THR 78 HA THR 78 7.369 -10.258 1.692 547 HB THR 78 HB THR 78 9.099 -11.909 0.955 548 HG1 THR 78 HG1 THR 78 10.572 -11.216 2.688 549 1HG2 THR 78 1HG2 THR 78 10.145 -10.099 -0.719 550 2HG2 THR 78 2HG2 THR 78 11.066 -9.616 0.725 551 3HG2 THR 78 3HG2 THR 78 11.202 -11.275 0.096 552 H HIS 79 H HIS 79 8.914 -8.865 3.190 553 HA HIS 79 HA HIS 79 8.232 -6.238 2.686 554 1HB HIS 79 1HB HIS 79 8.723 -7.240 4.904 555 2HB HIS 79 2HB HIS 79 10.425 -7.296 4.492 556 HD1 HIS 79 HD1 HIS 79 11.788 -5.134 4.714 557 HD2 HIS 79 HD2 HIS 79 7.672 -4.580 5.309 558 HE1 HIS 79 HE1 HIS 79 11.510 -2.769 5.632 559 H ASP 80 H ASP 80 11.201 -8.104 1.933 560 HA ASP 80 HA ASP 80 12.787 -5.952 1.269 561 1HB ASP 80 1HB ASP 80 12.887 -8.810 1.116 562 2HB ASP 80 2HB ASP 80 13.283 -8.222 -0.486 563 H GLN 81 H GLN 81 10.703 -8.142 -0.765 564 HA GLN 81 HA GLN 81 11.215 -6.784 -3.144 565 1HB GLN 81 1HB GLN 81 8.934 -8.621 -2.302 566 2HB GLN 81 2HB GLN 81 9.138 -8.039 -3.942 567 1HG GLN 81 1HG GLN 81 11.329 -9.117 -4.127 568 2HG GLN 81 2HG GLN 81 11.326 -9.532 -2.425 569 1HE2 GLN 81 1HE2 GLN 81 9.678 -10.038 -5.503 570 2HE2 GLN 81 2HE2 GLN 81 9.050 -11.619 -5.176 571 H ALA 82 H ALA 82 8.501 -6.614 -0.752 572 HA ALA 82 HA ALA 82 6.892 -4.838 -2.107 573 1HB ALA 82 1HB ALA 82 5.799 -4.559 -0.039 574 2HB ALA 82 2HB ALA 82 6.558 -6.162 0.107 575 3HB ALA 82 3HB ALA 82 7.305 -4.749 0.890 576 H VAL 83 H VAL 83 9.530 -4.137 0.293 577 HA VAL 83 HA VAL 83 9.344 -1.386 0.173 578 HB VAL 83 HB VAL 83 11.635 -3.273 0.707 579 1HG1 VAL 83 1HG1 VAL 83 11.599 -0.269 1.153 580 2HG1 VAL 83 2HG1 VAL 83 12.893 -1.395 1.627 581 3HG1 VAL 83 3HG1 VAL 83 12.540 -1.119 -0.096 582 1HG2 VAL 83 1HG2 VAL 83 9.438 -2.866 2.198 583 2HG2 VAL 83 2HG2 VAL 83 11.038 -3.191 2.905 584 3HG2 VAL 83 3HG2 VAL 83 10.436 -1.520 2.797 585 H GLU 84 H GLU 84 11.526 -3.598 -1.716 586 HA GLU 84 HA GLU 84 12.728 -1.687 -3.214 587 1HB GLU 84 1HB GLU 84 13.355 -4.090 -3.188 588 2HB GLU 84 2HB GLU 84 11.902 -4.493 -4.080 589 1HG GLU 84 1HG GLU 84 12.728 -3.682 -6.082 590 2HG GLU 84 2HG GLU 84 13.603 -2.370 -5.318 591 H ALA 85 H ALA 85 9.607 -3.405 -3.861 592 HA ALA 85 HA ALA 85 9.073 -2.372 -6.348 593 1HB ALA 85 1HB ALA 85 6.597 -2.566 -5.327 594 2HB ALA 85 2HB ALA 85 7.577 -4.001 -5.713 595 3HB ALA 85 3HB ALA 85 7.481 -3.414 -4.036 596 H PHE 86 H PHE 86 8.173 -1.013 -3.100 597 HA PHE 86 HA PHE 86 6.993 1.294 -4.153 598 1HB PHE 86 1HB PHE 86 8.208 0.341 -1.525 599 2HB PHE 86 2HB PHE 86 7.752 2.028 -1.655 600 HD1 PHE 86 HD1 PHE 86 5.301 2.468 -2.495 601 HD2 PHE 86 HD2 PHE 86 6.628 -1.197 -0.818 602 HE1 PHE 86 HE1 PHE 86 2.931 1.872 -1.921 603 HE2 PHE 86 HE2 PHE 86 4.258 -1.793 -0.244 604 HZ PHE 86 HZ PHE 86 2.438 -0.251 -0.802 605 H LYS 87 H LYS 87 10.352 0.361 -3.596 606 HA LYS 87 HA LYS 87 11.327 3.050 -3.546 607 1HB LYS 87 1HB LYS 87 12.637 1.532 -2.346 608 2HB LYS 87 2HB LYS 87 12.564 0.308 -3.598 609 1HG LYS 87 1HG LYS 87 13.997 1.656 -5.078 610 2HG LYS 87 2HG LYS 87 13.966 2.998 -3.952 611 1HD LYS 87 1HD LYS 87 15.007 0.257 -3.129 612 2HD LYS 87 2HD LYS 87 16.046 1.434 -3.907 613 1HE LYS 87 1HE LYS 87 14.424 2.106 -1.413 614 2HE LYS 87 2HE LYS 87 16.034 1.421 -1.319 615 1HZ LYS 87 1HZ LYS 87 15.414 4.043 -1.647 616 2HZ LYS 87 2HZ LYS 87 16.896 3.376 -1.804 617 3HZ LYS 87 3HZ LYS 87 15.953 3.589 -3.120 618 H THR 88 H THR 88 11.218 0.344 -5.953 619 HA THR 88 HA THR 88 12.300 2.057 -8.004 620 HB THR 88 HB THR 88 12.307 0.028 -9.292 621 HG1 THR 88 HG1 THR 88 10.285 -0.695 -7.294 622 1HG2 THR 88 1HG2 THR 88 13.681 -1.191 -7.930 623 2HG2 THR 88 2HG2 THR 88 13.240 -0.088 -6.604 624 3HG2 THR 88 3HG2 THR 88 12.321 -1.592 -6.853 625 H ALA 89 H ALA 89 9.327 1.930 -6.495 626 HA ALA 89 HA ALA 89 7.641 2.047 -8.779 627 1HB ALA 89 1HB ALA 89 7.320 2.788 -5.849 628 2HB ALA 89 2HB ALA 89 6.002 2.923 -7.038 629 3HB ALA 89 3HB ALA 89 6.720 1.334 -6.683 630 H LYS 90 H LYS 90 6.563 3.929 -9.651 631 HA LYS 90 HA LYS 90 8.018 6.418 -9.086 632 1HB LYS 90 1HB LYS 90 7.432 5.041 -11.657 633 2HB LYS 90 2HB LYS 90 7.222 6.780 -11.641 634 1HG LYS 90 1HG LYS 90 9.743 5.366 -10.653 635 2HG LYS 90 2HG LYS 90 9.560 6.015 -12.271 636 1HD LYS 90 1HD LYS 90 8.848 7.959 -10.148 637 2HD LYS 90 2HD LYS 90 10.513 7.422 -10.058 638 1HE LYS 90 1HE LYS 90 10.848 8.020 -12.459 639 2HE LYS 90 2HE LYS 90 9.175 8.527 -12.575 640 1HZ LYS 90 1HZ LYS 90 10.696 9.715 -10.440 641 2HZ LYS 90 2HZ LYS 90 11.133 10.159 -11.950 642 3HZ LYS 90 3HZ LYS 90 9.599 10.394 -11.442 643 H GLU 91 H GLU 91 6.765 8.385 -9.217 644 HA GLU 91 HA GLU 91 4.046 7.876 -8.451 645 1HB GLU 91 1HB GLU 91 5.454 10.569 -8.626 646 2HB GLU 91 2HB GLU 91 4.022 10.178 -7.694 647 1HG GLU 91 1HG GLU 91 5.546 9.943 -5.984 648 2HG GLU 91 2HG GLU 91 5.709 8.327 -6.641 649 HA PRO 92 HA PRO 92 2.339 8.893 -8.323 650 1HB PRO 92 1HB PRO 92 -0.191 8.233 -9.117 651 2HB PRO 92 2HB PRO 92 0.319 9.882 -8.819 652 1HG PRO 92 1HG PRO 92 -0.141 8.522 -11.403 653 2HG PRO 92 2HG PRO 92 -0.051 10.240 -11.067 654 1HD PRO 92 1HD PRO 92 1.984 8.618 -12.274 655 2HD PRO 92 2HD PRO 92 2.116 10.308 -11.832 656 H ILE 93 H ILE 93 2.063 7.157 -6.951 657 HA ILE 93 HA ILE 93 2.563 4.639 -8.340 658 HB ILE 93 HB ILE 93 2.851 5.429 -5.440 659 1HG1 ILE 93 1HG1 ILE 93 5.115 4.713 -7.282 660 2HG1 ILE 93 2HG1 ILE 93 4.450 6.334 -7.318 661 1HG2 ILE 93 1HG2 ILE 93 4.276 3.051 -6.059 662 2HG2 ILE 93 2HG2 ILE 93 2.918 3.274 -4.930 663 3HG2 ILE 93 3HG2 ILE 93 2.602 2.842 -6.628 664 1HD1 ILE 93 1HD1 ILE 93 5.177 6.844 -5.170 665 2HD1 ILE 93 2HD1 ILE 93 5.062 5.156 -4.617 666 3HD1 ILE 93 3HD1 ILE 93 6.430 5.668 -5.635 667 H VAL 94 H VAL 94 0.807 3.461 -8.869 668 HA VAL 94 HA VAL 94 -1.652 3.891 -7.425 669 HB VAL 94 HB VAL 94 -0.979 2.029 -9.711 670 1HG1 VAL 94 1HG1 VAL 94 -3.006 1.346 -8.560 671 2HG1 VAL 94 2HG1 VAL 94 -3.642 3.007 -8.626 672 3HG1 VAL 94 3HG1 VAL 94 -3.427 2.076 -10.128 673 1HG2 VAL 94 1HG2 VAL 94 -0.587 4.063 -10.701 674 2HG2 VAL 94 2HG2 VAL 94 -2.348 3.948 -10.934 675 3HG2 VAL 94 3HG2 VAL 94 -1.688 4.936 -9.609 676 H VAL 95 H VAL 95 -1.947 2.910 -5.491 677 HA VAL 95 HA VAL 95 -0.907 0.171 -5.244 678 HB VAL 95 HB VAL 95 -1.464 1.700 -2.791 679 1HG1 VAL 95 1HG1 VAL 95 0.397 -0.371 -3.796 680 2HG1 VAL 95 2HG1 VAL 95 1.084 0.754 -2.599 681 3HG1 VAL 95 3HG1 VAL 95 -0.372 -0.189 -2.201 682 1HG2 VAL 95 1HG2 VAL 95 -0.563 3.551 -4.024 683 2HG2 VAL 95 2HG2 VAL 95 0.717 2.944 -2.946 684 3HG2 VAL 95 3HG2 VAL 95 0.752 2.547 -4.681 685 H GLN 96 H GLN 96 -2.253 -1.358 -4.094 686 HA GLN 96 HA GLN 96 -4.988 -0.437 -3.748 687 1HB GLN 96 1HB GLN 96 -5.038 -1.500 -5.907 688 2HB GLN 96 2HB GLN 96 -4.053 -2.841 -5.357 689 1HG GLN 96 1HG GLN 96 -5.843 -3.951 -4.462 690 2HG GLN 96 2HG GLN 96 -6.505 -2.498 -3.740 691 1HE2 GLN 96 1HE2 GLN 96 -8.352 -1.827 -4.499 692 2HE2 GLN 96 2HE2 GLN 96 -9.005 -2.102 -6.079 693 H VAL 97 H VAL 97 -6.151 -1.485 -2.054 694 HA VAL 97 HA VAL 97 -4.578 -3.439 -0.529 695 HB VAL 97 HB VAL 97 -5.464 -2.356 1.522 696 1HG1 VAL 97 1HG1 VAL 97 -3.299 -1.711 1.344 697 2HG1 VAL 97 2HG1 VAL 97 -3.487 -1.156 -0.337 698 3HG1 VAL 97 3HG1 VAL 97 -4.019 -0.119 1.008 699 1HG2 VAL 97 1HG2 VAL 97 -6.189 0.077 1.244 700 2HG2 VAL 97 2HG2 VAL 97 -6.455 -0.307 -0.473 701 3HG2 VAL 97 3HG2 VAL 97 -7.375 -1.168 0.784 702 H LEU 98 H LEU 98 -6.038 -4.687 1.048 703 HA LEU 98 HA LEU 98 -8.623 -5.124 -0.281 704 1HB LEU 98 1HB LEU 98 -6.508 -6.960 0.673 705 2HB LEU 98 2HB LEU 98 -8.154 -7.441 1.030 706 HG LEU 98 HG LEU 98 -7.079 -6.803 -1.732 707 1HD1 LEU 98 1HD1 LEU 98 -6.637 -8.990 -2.083 708 2HD1 LEU 98 2HD1 LEU 98 -6.437 -9.002 -0.314 709 3HD1 LEU 98 3HD1 LEU 98 -7.969 -9.545 -1.040 710 1HD2 LEU 98 1HD2 LEU 98 -9.778 -7.046 -0.711 711 2HD2 LEU 98 2HD2 LEU 98 -9.205 -6.564 -2.326 712 3HD2 LEU 98 3HD2 LEU 98 -9.441 -8.286 -1.943 713 H ARG 99 H ARG 99 -10.363 -4.538 0.890 714 HA ARG 99 HA ARG 99 -10.021 -4.608 3.780 715 1HB ARG 99 1HB ARG 99 -11.264 -2.493 1.996 716 2HB ARG 99 2HB ARG 99 -11.865 -2.683 3.631 717 1HG ARG 99 1HG ARG 99 -9.338 -2.571 4.345 718 2HG ARG 99 2HG ARG 99 -9.061 -1.925 2.740 719 1HD ARG 99 1HD ARG 99 -11.246 -0.421 3.595 720 2HD ARG 99 2HD ARG 99 -10.355 -0.647 5.087 721 HE ARG 99 HE ARG 99 -8.384 0.067 3.269 722 1HH1 ARG 99 1HH1 ARG 99 -11.433 1.509 4.272 723 2HH1 ARG 99 2HH1 ARG 99 -10.912 3.133 3.967 724 1HH2 ARG 99 1HH2 ARG 99 -7.696 2.208 2.866 725 2HH2 ARG 99 2HH2 ARG 99 -8.772 3.533 3.162 726 H ARG 100 H ARG 100 -11.764 -5.509 4.972 727 HA ARG 100 HA ARG 100 -13.329 -7.335 3.725 728 1HB ARG 100 1HB ARG 100 -14.581 -7.470 5.854 729 2HB ARG 100 2HB ARG 100 -12.871 -7.269 6.181 730 1HG ARG 100 1HG ARG 100 -14.192 -4.664 5.915 731 2HG ARG 100 2HG ARG 100 -14.987 -5.642 7.132 732 1HD ARG 100 1HD ARG 100 -13.330 -5.002 8.558 733 2HD ARG 100 2HD ARG 100 -12.271 -6.078 7.668 734 HE ARG 100 HE ARG 100 -12.474 -3.545 6.299 735 1HH1 ARG 100 1HH1 ARG 100 -10.993 -5.053 9.112 736 2HH1 ARG 100 2HH1 ARG 100 -9.666 -3.942 9.168 737 1HH2 ARG 100 1HH2 ARG 100 -10.724 -2.078 6.373 738 2HH2 ARG 100 2HH2 ARG 100 -9.512 -2.237 7.600 739 H THR 101 H THR 101 -16.006 -7.095 4.480 740 HA THR 101 HA THR 101 -16.886 -4.928 2.722 741 HB THR 101 HB THR 101 -17.522 -7.343 2.277 742 HG1 THR 101 HG1 THR 101 -19.677 -6.619 1.861 743 1HG2 THR 101 1HG2 THR 101 -19.407 -7.022 4.648 744 2HG2 THR 101 2HG2 THR 101 -19.048 -8.494 3.713 745 3HG2 THR 101 3HG2 THR 101 -17.837 -7.838 4.842 746 H SER 102 H SER 102 -17.846 -3.128 3.437 747 HA SER 102 HA SER 102 -18.680 -1.660 4.800 748 1HB SER 102 1HB SER 102 -20.076 -4.170 5.704 749 2HB SER 102 2HB SER 102 -20.279 -2.729 6.681 750 HG SER 102 HG SER 102 -20.852 -1.631 4.562 751 H GLY 103 H GLY 103 -16.676 -0.979 5.739 752 1HA GLY 103 1HA GLY 103 -15.417 -2.339 7.875 753 2HA GLY 103 2HA GLY 103 -15.127 -0.693 7.347 754 HA PRO 104 HA PRO 104 -17.194 -0.441 11.385 755 1HB PRO 104 1HB PRO 104 -15.306 1.050 12.681 756 2HB PRO 104 2HB PRO 104 -15.370 -0.699 12.767 757 1HG PRO 104 1HG PRO 104 -13.501 1.015 11.247 758 2HG PRO 104 2HG PRO 104 -13.332 -0.672 11.686 759 1HD PRO 104 1HD PRO 104 -14.036 0.367 9.108 760 2HD PRO 104 2HD PRO 104 -13.980 -1.320 9.578 761 H SER 105 H SER 105 -18.288 1.304 12.465 762 HA SER 105 HA SER 105 -18.068 3.726 10.862 763 1HB SER 105 1HB SER 105 -20.396 1.982 11.270 764 2HB SER 105 2HB SER 105 -20.732 3.627 11.770 765 HG SER 105 HG SER 105 -21.045 3.992 9.684 766 H SER 106 H SER 106 -19.701 2.401 13.842 767 HA SER 106 HA SER 106 -19.745 3.084 15.903 768 1HB SER 106 1HB SER 106 -17.149 3.392 15.345 769 2HB SER 106 2HB SER 106 -17.524 5.094 15.530 770 HG SER 106 HG SER 106 -16.935 4.382 17.573 771 H GLY 107 H GLY 107 -20.161 5.134 17.336 772 1HA GLY 107 1HA GLY 107 -20.720 7.437 17.400 773 2HA GLY 107 2HA GLY 107 -21.135 7.383 15.698 Start of MODEL 4 1 1H GLY 1 1H GLY 1 -30.398 -13.638 -3.703 2 1HA GLY 1 1HA GLY 1 -29.901 -16.021 -2.212 3 2HA GLY 1 2HA GLY 1 -30.384 -16.385 -3.857 4 H SER 2 H SER 2 -28.224 -17.243 -4.270 5 HA SER 2 HA SER 2 -26.229 -17.121 -5.115 6 1HB SER 2 1HB SER 2 -27.231 -14.353 -5.648 7 2HB SER 2 2HB SER 2 -25.498 -14.574 -5.775 8 HG SER 2 HG SER 2 -26.574 -14.963 -7.810 9 H SER 3 H SER 3 -24.725 -17.638 -3.555 10 HA SER 3 HA SER 3 -24.406 -16.163 -1.233 11 1HB SER 3 1HB SER 3 -23.798 -18.568 -1.501 12 2HB SER 3 2HB SER 3 -22.474 -18.119 -2.558 13 HG SER 3 HG SER 3 -22.023 -18.497 -0.159 14 H GLY 4 H GLY 4 -22.454 -14.936 -0.508 15 1HA GLY 4 1HA GLY 4 -20.920 -13.750 -2.731 16 2HA GLY 4 2HA GLY 4 -21.758 -12.727 -1.581 17 H SER 5 H SER 5 -18.848 -12.885 -2.084 18 HA SER 5 HA SER 5 -18.000 -13.985 0.478 19 1HB SER 5 1HB SER 5 -16.979 -14.528 -2.010 20 2HB SER 5 2HB SER 5 -15.945 -13.195 -1.538 21 HG SER 5 HG SER 5 -15.411 -15.582 -0.902 22 H SER 6 H SER 6 -16.804 -12.651 1.930 23 HA SER 6 HA SER 6 -17.237 -9.864 1.499 24 1HB SER 6 1HB SER 6 -16.038 -11.452 3.805 25 2HB SER 6 2HB SER 6 -16.176 -9.706 3.828 26 HG SER 6 HG SER 6 -18.219 -9.918 4.401 27 H GLY 7 H GLY 7 -15.527 -8.221 1.547 28 1HA GLY 7 1HA GLY 7 -13.107 -7.858 1.755 29 2HA GLY 7 2HA GLY 7 -12.878 -9.297 0.782 30 H LYS 8 H LYS 8 -12.837 -5.977 0.648 31 HA LYS 8 HA LYS 8 -13.578 -6.007 -2.195 32 1HB LYS 8 1HB LYS 8 -14.783 -4.512 -0.144 33 2HB LYS 8 2HB LYS 8 -13.740 -3.376 -0.976 34 1HG LYS 8 1HG LYS 8 -15.593 -3.215 -2.356 35 2HG LYS 8 2HG LYS 8 -14.784 -4.544 -3.162 36 1HD LYS 8 1HD LYS 8 -16.166 -6.013 -1.382 37 2HD LYS 8 2HD LYS 8 -17.208 -4.604 -1.367 38 1HE LYS 8 1HE LYS 8 -18.179 -5.784 -3.124 39 2HE LYS 8 2HE LYS 8 -17.030 -4.815 -4.024 40 1HZ LYS 8 1HZ LYS 8 -17.102 -7.601 -3.707 41 2HZ LYS 8 2HZ LYS 8 -16.184 -6.708 -4.721 42 3HZ LYS 8 3HZ LYS 8 -15.655 -7.031 -3.211 43 H SER 9 H SER 9 -12.324 -4.459 -3.541 44 HA SER 9 HA SER 9 -9.686 -4.068 -2.357 45 1HB SER 9 1HB SER 9 -8.810 -4.320 -4.723 46 2HB SER 9 2HB SER 9 -9.498 -5.780 -4.039 47 HG SER 9 HG SER 9 -10.987 -5.802 -5.575 48 H LEU 10 H LEU 10 -9.087 -1.938 -2.190 49 HA LEU 10 HA LEU 10 -10.482 -0.044 -3.950 50 1HB LEU 10 1HB LEU 10 -9.207 0.798 -1.389 51 2HB LEU 10 2HB LEU 10 -10.565 1.493 -2.252 52 HG LEU 10 HG LEU 10 -10.683 -1.152 -0.781 53 1HD1 LEU 10 1HD1 LEU 10 -10.625 0.038 1.102 54 2HD1 LEU 10 2HD1 LEU 10 -10.769 1.584 0.231 55 3HD1 LEU 10 3HD1 LEU 10 -12.230 0.652 0.637 56 1HD2 LEU 10 1HD2 LEU 10 -13.151 0.379 -1.248 57 2HD2 LEU 10 2HD2 LEU 10 -12.359 -0.214 -2.728 58 3HD2 LEU 10 3HD2 LEU 10 -12.813 -1.358 -1.442 59 H THR 11 H THR 11 -9.204 1.853 -4.660 60 HA THR 11 HA THR 11 -6.372 1.099 -4.960 61 HB THR 11 HB THR 11 -7.806 3.005 -6.817 62 HG1 THR 11 HG1 THR 11 -8.019 0.091 -6.559 63 1HG2 THR 11 1HG2 THR 11 -6.486 1.656 -8.507 64 2HG2 THR 11 2HG2 THR 11 -5.446 2.456 -7.304 65 3HG2 THR 11 3HG2 THR 11 -5.797 0.717 -7.161 66 H LEU 12 H LEU 12 -4.752 2.566 -4.532 67 HA LEU 12 HA LEU 12 -5.584 5.232 -3.710 68 1HB LEU 12 1HB LEU 12 -3.661 4.373 -1.823 69 2HB LEU 12 2HB LEU 12 -5.308 4.907 -1.555 70 HG LEU 12 HG LEU 12 -5.788 2.348 -2.290 71 1HD1 LEU 12 1HD1 LEU 12 -3.888 1.185 -2.425 72 2HD1 LEU 12 2HD1 LEU 12 -2.941 2.464 -1.627 73 3HD1 LEU 12 3HD1 LEU 12 -3.844 1.282 -0.649 74 1HD2 LEU 12 1HD2 LEU 12 -5.806 3.888 0.104 75 2HD2 LEU 12 2HD2 LEU 12 -6.768 2.447 -0.306 76 3HD2 LEU 12 3HD2 LEU 12 -5.190 2.265 0.497 77 H VAL 13 H VAL 13 -4.121 6.800 -4.299 78 HA VAL 13 HA VAL 13 -1.766 5.798 -5.712 79 HB VAL 13 HB VAL 13 -3.698 7.460 -6.548 80 1HG1 VAL 13 1HG1 VAL 13 -2.881 9.785 -6.500 81 2HG1 VAL 13 2HG1 VAL 13 -3.239 9.178 -4.866 82 3HG1 VAL 13 3HG1 VAL 13 -1.552 9.294 -5.423 83 1HG2 VAL 13 1HG2 VAL 13 -1.903 6.484 -7.917 84 2HG2 VAL 13 2HG2 VAL 13 -2.146 8.207 -8.292 85 3HG2 VAL 13 3HG2 VAL 13 -0.763 7.700 -7.293 86 H LEU 14 H LEU 14 0.147 5.830 -4.664 87 HA LEU 14 HA LEU 14 0.418 7.771 -2.479 88 1HB LEU 14 1HB LEU 14 1.890 5.168 -2.906 89 2HB LEU 14 2HB LEU 14 2.066 6.252 -1.541 90 HG LEU 14 HG LEU 14 -0.364 4.599 -2.262 91 1HD1 LEU 14 1HD1 LEU 14 1.527 3.411 -1.185 92 2HD1 LEU 14 2HD1 LEU 14 1.403 4.526 0.197 93 3HD1 LEU 14 3HD1 LEU 14 0.050 3.436 -0.192 94 1HD2 LEU 14 1HD2 LEU 14 -1.606 6.176 -1.295 95 2HD2 LEU 14 2HD2 LEU 14 -0.841 5.689 0.237 96 3HD2 LEU 14 3HD2 LEU 14 -0.178 7.053 -0.694 97 H HIS 15 H HIS 15 2.510 8.849 -2.232 98 HA HIS 15 HA HIS 15 3.992 8.925 -4.757 99 1HB HIS 15 1HB HIS 15 3.206 11.282 -3.021 100 2HB HIS 15 2HB HIS 15 4.295 11.365 -4.391 101 HD1 HIS 15 HD1 HIS 15 3.257 11.715 -6.665 102 HD2 HIS 15 HD2 HIS 15 0.459 10.501 -3.785 103 HE1 HIS 15 HE1 HIS 15 0.966 11.885 -7.777 104 H ARG 16 H ARG 16 6.227 10.111 -4.336 105 HA ARG 16 HA ARG 16 7.217 8.984 -1.841 106 1HB ARG 16 1HB ARG 16 8.484 9.269 -4.594 107 2HB ARG 16 2HB ARG 16 9.490 9.063 -3.174 108 1HG ARG 16 1HG ARG 16 7.944 7.007 -2.637 109 2HG ARG 16 2HG ARG 16 7.429 7.139 -4.307 110 1HD ARG 16 1HD ARG 16 10.396 7.144 -3.744 111 2HD ARG 16 2HD ARG 16 9.538 5.623 -3.601 112 HE ARG 16 HE ARG 16 9.161 5.613 -5.934 113 1HH1 ARG 16 1HH1 ARG 16 10.469 8.719 -4.921 114 2HH1 ARG 16 2HH1 ARG 16 10.781 9.259 -6.537 115 1HH2 ARG 16 1HH2 ARG 16 9.573 6.325 -8.066 116 2HH2 ARG 16 2HH2 ARG 16 10.268 7.887 -8.338 117 H ASP 17 H ASP 17 7.696 10.569 -0.353 118 HA ASP 17 HA ASP 17 8.419 13.172 -1.419 119 1HB ASP 17 1HB ASP 17 6.578 13.363 0.091 120 2HB ASP 17 2HB ASP 17 7.262 12.203 1.212 121 H SER 18 H SER 18 10.664 12.213 -1.843 122 HA SER 18 HA SER 18 12.780 12.135 -1.347 123 1HB SER 18 1HB SER 18 11.887 13.985 0.474 124 2HB SER 18 2HB SER 18 12.565 12.786 1.557 125 HG SER 18 HG SER 18 14.146 14.384 0.904 126 H GLY 19 H GLY 19 12.430 9.769 -1.629 127 1HA GLY 19 1HA GLY 19 12.360 7.606 -0.933 128 2HA GLY 19 2HA GLY 19 13.725 8.131 0.032 129 H SER 20 H SER 20 10.095 8.430 0.128 130 HA SER 20 HA SER 20 9.932 7.004 2.519 131 1HB SER 20 1HB SER 20 10.837 9.533 3.033 132 2HB SER 20 2HB SER 20 9.109 9.823 3.082 133 HG SER 20 HG SER 20 10.233 9.143 5.153 134 H LEU 21 H LEU 21 8.165 5.921 1.624 135 HA LEU 21 HA LEU 21 6.205 7.151 0.070 136 1HB LEU 21 1HB LEU 21 6.477 4.553 1.521 137 2HB LEU 21 2HB LEU 21 4.909 5.005 0.883 138 HG LEU 21 HG LEU 21 6.092 3.567 -0.672 139 1HD1 LEU 21 1HD1 LEU 21 5.021 4.646 -2.284 140 2HD1 LEU 21 2HD1 LEU 21 5.015 6.130 -1.300 141 3HD1 LEU 21 3HD1 LEU 21 6.367 5.805 -2.412 142 1HD2 LEU 21 1HD2 LEU 21 8.262 5.670 -0.563 143 2HD2 LEU 21 2HD2 LEU 21 8.377 3.945 -0.140 144 3HD2 LEU 21 3HD2 LEU 21 8.151 4.432 -1.837 145 H GLY 22 H GLY 22 6.622 6.793 3.587 146 1HA GLY 22 1HA GLY 22 5.626 8.399 5.019 147 2HA GLY 22 2HA GLY 22 4.246 8.501 3.944 148 H PHE 23 H PHE 23 5.787 5.391 4.806 149 HA PHE 23 HA PHE 23 4.136 4.801 6.991 150 1HB PHE 23 1HB PHE 23 2.440 3.466 5.916 151 2HB PHE 23 2HB PHE 23 2.551 4.879 4.885 152 HD1 PHE 23 HD1 PHE 23 1.910 1.667 4.568 153 HD2 PHE 23 HD2 PHE 23 4.910 4.371 3.266 154 HE1 PHE 23 HE1 PHE 23 2.384 0.190 2.594 155 HE2 PHE 23 HE2 PHE 23 5.385 2.894 1.293 156 HZ PHE 23 HZ PHE 23 4.116 0.822 0.980 157 H ASN 24 H ASN 24 3.989 2.136 7.090 158 HA ASN 24 HA ASN 24 6.529 1.154 6.082 159 1HB ASN 24 1HB ASN 24 6.112 1.843 8.774 160 2HB ASN 24 2HB ASN 24 5.802 0.118 8.768 161 1HD2 ASN 24 1HD2 ASN 24 8.119 2.536 8.852 162 2HD2 ASN 24 2HD2 ASN 24 9.553 1.602 8.581 163 H ILE 25 H ILE 25 6.578 -1.365 6.291 164 HA ILE 25 HA ILE 25 3.852 -2.449 6.272 165 HB ILE 25 HB ILE 25 4.925 -4.019 4.452 166 1HG1 ILE 25 1HG1 ILE 25 6.384 -1.442 3.840 167 2HG1 ILE 25 2HG1 ILE 25 7.148 -2.777 4.680 168 1HG2 ILE 25 1HG2 ILE 25 4.077 -2.317 2.708 169 2HG2 ILE 25 2HG2 ILE 25 2.938 -2.923 3.934 170 3HG2 ILE 25 3HG2 ILE 25 3.662 -1.307 4.113 171 1HD1 ILE 25 1HD1 ILE 25 5.857 -3.980 2.469 172 2HD1 ILE 25 2HD1 ILE 25 6.577 -2.482 1.833 173 3HD1 ILE 25 3HD1 ILE 25 7.602 -3.683 2.654 174 H ILE 26 H ILE 26 3.818 -4.851 6.665 175 HA ILE 26 HA ILE 26 6.150 -5.659 8.253 176 HB ILE 26 HB ILE 26 4.834 -6.431 9.996 177 1HG1 ILE 26 1HG1 ILE 26 2.311 -5.999 8.373 178 2HG1 ILE 26 2HG1 ILE 26 3.138 -7.539 8.496 179 1HG2 ILE 26 1HG2 ILE 26 4.986 -3.878 9.662 180 2HG2 ILE 26 2HG2 ILE 26 3.255 -3.976 9.258 181 3HG2 ILE 26 3HG2 ILE 26 3.828 -4.515 10.854 182 1HD1 ILE 26 1HD1 ILE 26 1.243 -7.249 10.149 183 2HD1 ILE 26 2HD1 ILE 26 2.810 -7.616 10.909 184 3HD1 ILE 26 3HD1 ILE 26 2.185 -5.950 10.920 185 H GLY 27 H GLY 27 6.180 -8.119 8.581 186 1HA GLY 27 1HA GLY 27 5.366 -10.229 7.748 187 2HA GLY 27 2HA GLY 27 5.043 -9.464 6.205 188 H GLY 28 H GLY 28 6.394 -11.023 5.099 189 1HA GLY 28 1HA GLY 28 8.312 -11.634 4.095 190 2HA GLY 28 2HA GLY 28 9.058 -10.179 4.726 191 H ARG 29 H ARG 29 10.387 -10.265 6.564 192 HA ARG 29 HA ARG 29 11.614 -11.116 8.127 193 1HB ARG 29 1HB ARG 29 9.121 -12.237 8.659 194 2HB ARG 29 2HB ARG 29 10.136 -13.663 8.575 195 1HG ARG 29 1HG ARG 29 11.292 -13.126 10.493 196 2HG ARG 29 2HG ARG 29 11.324 -11.413 10.122 197 1HD ARG 29 1HD ARG 29 8.725 -11.513 10.638 198 2HD ARG 29 2HD ARG 29 9.117 -13.013 11.455 199 HE ARG 29 HE ARG 29 10.975 -11.022 12.321 200 1HH1 ARG 29 1HH1 ARG 29 7.555 -11.803 12.597 201 2HH1 ARG 29 2HH1 ARG 29 7.370 -11.024 14.133 202 1HH2 ARG 29 1HH2 ARG 29 10.732 -9.994 14.348 203 2HH2 ARG 29 2HH2 ARG 29 9.189 -9.988 15.135 204 HA PRO 30 HA PRO 30 14.043 -14.002 5.915 205 1HB PRO 30 1HB PRO 30 16.171 -14.206 7.619 206 2HB PRO 30 2HB PRO 30 15.987 -12.897 6.468 207 1HG PRO 30 1HG PRO 30 15.581 -12.861 9.396 208 2HG PRO 30 2HG PRO 30 15.818 -11.511 8.304 209 1HD PRO 30 1HD PRO 30 13.338 -12.361 9.468 210 2HD PRO 30 2HD PRO 30 13.559 -11.086 8.287 211 H SER 31 H SER 31 12.185 -15.522 6.288 212 HA SER 31 HA SER 31 13.372 -17.817 7.505 213 1HB SER 31 1HB SER 31 11.396 -18.278 8.978 214 2HB SER 31 2HB SER 31 12.312 -16.870 9.479 215 HG SER 31 HG SER 31 10.008 -16.471 9.492 216 H VAL 32 H VAL 32 11.897 -19.810 7.123 217 HA VAL 32 HA VAL 32 9.682 -19.659 5.448 218 HB VAL 32 HB VAL 32 11.080 -18.795 3.741 219 1HG1 VAL 32 1HG1 VAL 32 13.264 -19.226 3.498 220 2HG1 VAL 32 2HG1 VAL 32 13.149 -20.147 5.017 221 3HG1 VAL 32 3HG1 VAL 32 12.992 -20.985 3.455 222 1HG2 VAL 32 1HG2 VAL 32 10.598 -21.764 3.347 223 2HG2 VAL 32 2HG2 VAL 32 9.510 -20.422 2.922 224 3HG2 VAL 32 3HG2 VAL 32 11.041 -20.640 2.040 225 H ASP 33 H ASP 33 12.656 -21.410 6.443 226 HA ASP 33 HA ASP 33 13.032 -23.519 6.866 227 1HB ASP 33 1HB ASP 33 10.451 -22.847 8.231 228 2HB ASP 33 2HB ASP 33 10.847 -24.553 8.166 229 H ASN 34 H ASN 34 12.886 -24.099 4.491 230 HA ASN 34 HA ASN 34 10.971 -26.170 4.136 231 1HB ASN 34 1HB ASN 34 9.873 -23.921 3.340 232 2HB ASN 34 2HB ASN 34 11.020 -23.976 2.016 233 1HD2 ASN 34 1HD2 ASN 34 8.946 -24.020 0.825 234 2HD2 ASN 34 2HD2 ASN 34 8.225 -25.552 0.459 235 H HIS 35 H HIS 35 12.234 -27.790 3.208 236 HA HIS 35 HA HIS 35 14.627 -26.963 1.789 237 1HB HIS 35 1HB HIS 35 13.707 -29.542 3.052 238 2HB HIS 35 2HB HIS 35 15.055 -29.514 1.932 239 HD1 HIS 35 HD1 HIS 35 14.770 -29.833 5.303 240 HD2 HIS 35 HD2 HIS 35 16.703 -26.907 3.001 241 HE1 HIS 35 HE1 HIS 35 16.533 -28.781 6.818 242 H ASP 36 H ASP 36 13.724 -26.234 -0.201 243 HA ASP 36 HA ASP 36 13.410 -28.264 -2.076 244 1HB ASP 36 1HB ASP 36 11.136 -28.432 -1.079 245 2HB ASP 36 2HB ASP 36 10.883 -26.717 -1.332 246 H GLY 37 H GLY 37 12.035 -24.955 -1.360 247 1HA GLY 37 1HA GLY 37 13.478 -23.119 -2.307 248 2HA GLY 37 2HA GLY 37 13.321 -23.968 -3.832 249 H SER 38 H SER 38 11.786 -21.820 -1.528 250 HA SER 38 HA SER 38 10.011 -20.863 -3.392 251 1HB SER 38 1HB SER 38 8.990 -23.147 -1.771 252 2HB SER 38 2HB SER 38 7.933 -21.751 -1.825 253 HG SER 38 HG SER 38 8.669 -22.019 -4.335 254 H SER 39 H SER 39 8.338 -19.322 -2.271 255 HA SER 39 HA SER 39 8.924 -18.749 0.458 256 1HB SER 39 1HB SER 39 9.770 -16.493 0.135 257 2HB SER 39 2HB SER 39 10.799 -17.603 -0.749 258 HG SER 39 HG SER 39 10.133 -16.794 -2.655 259 H SER 40 H SER 40 7.198 -17.591 1.424 260 HA SER 40 HA SER 40 5.334 -16.265 -0.291 261 1HB SER 40 1HB SER 40 4.873 -18.972 0.286 262 2HB SER 40 2HB SER 40 3.878 -18.134 1.459 263 HG SER 40 HG SER 40 2.498 -18.057 -0.199 264 H GLU 41 H GLU 41 4.763 -14.411 0.789 265 HA GLU 41 HA GLU 41 4.476 -14.604 3.666 266 1HB GLU 41 1HB GLU 41 6.203 -12.553 2.216 267 2HB GLU 41 2HB GLU 41 5.702 -12.383 3.886 268 1HG GLU 41 1HG GLU 41 7.583 -13.557 4.407 269 2HG GLU 41 2HG GLU 41 6.705 -14.974 3.865 270 H GLY 42 H GLY 42 3.627 -12.217 4.438 271 1HA GLY 42 1HA GLY 42 1.600 -11.370 2.457 272 2HA GLY 42 2HA GLY 42 1.208 -11.672 4.138 273 H ILE 43 H ILE 43 1.725 -9.219 2.011 274 HA ILE 43 HA ILE 43 3.310 -7.570 3.808 275 HB ILE 43 HB ILE 43 2.199 -7.006 1.056 276 1HG1 ILE 43 1HG1 ILE 43 3.752 -8.679 0.664 277 2HG1 ILE 43 2HG1 ILE 43 4.710 -7.224 0.478 278 1HG2 ILE 43 1HG2 ILE 43 3.965 -5.433 2.923 279 2HG2 ILE 43 2HG2 ILE 43 4.031 -5.202 1.160 280 3HG2 ILE 43 3HG2 ILE 43 2.510 -4.913 2.038 281 1HD1 ILE 43 1HD1 ILE 43 4.597 -9.055 2.912 282 2HD1 ILE 43 2HD1 ILE 43 5.993 -8.738 1.854 283 3HD1 ILE 43 3HD1 ILE 43 5.386 -7.459 2.933 284 H PHE 44 H PHE 44 2.460 -6.042 5.150 285 HA PHE 44 HA PHE 44 -0.270 -5.177 4.668 286 1HB PHE 44 1HB PHE 44 0.861 -6.574 7.160 287 2HB PHE 44 2HB PHE 44 -0.614 -5.630 7.228 288 HD1 PHE 44 HD1 PHE 44 -2.669 -6.598 6.660 289 HD2 PHE 44 HD2 PHE 44 0.923 -8.560 5.541 290 HE1 PHE 44 HE1 PHE 44 -3.990 -8.610 5.948 291 HE2 PHE 44 HE2 PHE 44 -0.398 -10.572 4.829 292 HZ PHE 44 HZ PHE 44 -2.838 -10.573 5.041 293 H VAL 45 H VAL 45 -0.833 -3.210 5.873 294 HA VAL 45 HA VAL 45 1.571 -1.665 6.447 295 HB VAL 45 HB VAL 45 -1.308 -0.888 5.947 296 1HG1 VAL 45 1HG1 VAL 45 -0.725 0.946 7.146 297 2HG1 VAL 45 2HG1 VAL 45 1.020 0.659 6.944 298 3HG1 VAL 45 3HG1 VAL 45 0.085 1.416 5.632 299 1HG2 VAL 45 1HG2 VAL 45 -0.734 -0.377 3.776 300 2HG2 VAL 45 2HG2 VAL 45 0.985 -0.130 4.168 301 3HG2 VAL 45 3HG2 VAL 45 0.323 -1.779 4.067 302 H SER 46 H SER 46 2.241 -1.511 8.519 303 HA SER 46 HA SER 46 0.167 -1.763 10.552 304 1HB SER 46 1HB SER 46 1.853 -3.571 10.613 305 2HB SER 46 2HB SER 46 3.147 -2.394 10.708 306 HG SER 46 HG SER 46 2.861 -2.293 12.821 307 H LYS 47 H LYS 47 2.207 0.412 8.941 308 HA LYS 47 HA LYS 47 1.868 2.346 11.084 309 1HB LYS 47 1HB LYS 47 4.050 1.630 11.620 310 2HB LYS 47 2HB LYS 47 4.530 1.504 9.940 311 1HG LYS 47 1HG LYS 47 5.528 3.534 10.695 312 2HG LYS 47 2HG LYS 47 4.134 4.050 9.768 313 1HD LYS 47 1HD LYS 47 3.121 4.971 11.593 314 2HD LYS 47 2HD LYS 47 3.433 3.559 12.584 315 1HE LYS 47 1HE LYS 47 5.454 5.765 11.954 316 2HE LYS 47 2HE LYS 47 4.605 5.567 13.475 317 1HZ LYS 47 1HZ LYS 47 6.446 4.410 13.947 318 2HZ LYS 47 2HZ LYS 47 5.659 3.178 13.220 319 3HZ LYS 47 3HZ LYS 47 6.785 4.027 12.396 320 H ILE 48 H ILE 48 1.686 4.507 10.325 321 HA ILE 48 HA ILE 48 2.026 4.970 7.498 322 HB ILE 48 HB ILE 48 -0.672 4.853 8.815 323 1HG1 ILE 48 1HG1 ILE 48 0.501 3.714 6.265 324 2HG1 ILE 48 2HG1 ILE 48 0.011 2.831 7.698 325 1HG2 ILE 48 1HG2 ILE 48 -1.087 5.910 6.281 326 2HG2 ILE 48 2HG2 ILE 48 -1.252 6.764 7.834 327 3HG2 ILE 48 3HG2 ILE 48 0.276 6.855 6.926 328 1HD1 ILE 48 1HD1 ILE 48 -2.245 4.406 6.919 329 2HD1 ILE 48 2HD1 ILE 48 -1.606 3.645 5.442 330 3HD1 ILE 48 3HD1 ILE 48 -2.069 2.637 6.834 331 H VAL 49 H VAL 49 2.840 6.985 7.228 332 HA VAL 49 HA VAL 49 2.999 8.668 9.556 333 HB VAL 49 HB VAL 49 4.049 8.926 6.731 334 1HG1 VAL 49 1HG1 VAL 49 4.624 11.036 7.161 335 2HG1 VAL 49 2HG1 VAL 49 3.759 10.942 8.714 336 3HG1 VAL 49 3HG1 VAL 49 5.489 10.527 8.631 337 1HG2 VAL 49 1HG2 VAL 49 5.874 8.556 9.044 338 2HG2 VAL 49 2HG2 VAL 49 4.867 7.155 8.608 339 3HG2 VAL 49 3HG2 VAL 49 5.950 7.883 7.397 340 H ASP 50 H ASP 50 1.843 10.521 9.963 341 HA ASP 50 HA ASP 50 -0.561 10.850 8.638 342 1HB ASP 50 1HB ASP 50 1.038 12.363 10.676 343 2HB ASP 50 2HB ASP 50 -0.205 13.279 9.847 344 H SER 51 H SER 51 1.888 13.502 9.025 345 HA SER 51 HA SER 51 1.129 15.011 6.958 346 1HB SER 51 1HB SER 51 3.257 14.989 8.747 347 2HB SER 51 2HB SER 51 4.078 14.860 7.204 348 HG SER 51 HG SER 51 3.317 16.835 6.565 349 H GLY 52 H GLY 52 2.864 11.937 6.850 350 1HA GLY 52 1HA GLY 52 4.186 12.002 4.453 351 2HA GLY 52 2HA GLY 52 3.391 10.592 5.124 352 HA PRO 53 HA PRO 53 1.137 12.270 1.379 353 1HB PRO 53 1HB PRO 53 2.411 11.101 -0.737 354 2HB PRO 53 2HB PRO 53 2.703 12.755 -0.238 355 1HG PRO 53 1HG PRO 53 4.405 10.370 0.160 356 2HG PRO 53 2HG PRO 53 4.846 12.063 0.260 357 1HD PRO 53 1HD PRO 53 4.402 10.273 2.456 358 2HD PRO 53 2HD PRO 53 4.729 11.992 2.555 359 H ALA 54 H ALA 54 1.901 9.467 2.868 360 HA ALA 54 HA ALA 54 0.280 7.795 1.153 361 1HB ALA 54 1HB ALA 54 1.313 6.077 2.225 362 2HB ALA 54 2HB ALA 54 2.448 7.337 2.766 363 3HB ALA 54 3HB ALA 54 1.114 6.825 3.828 364 H ALA 55 H ALA 55 0.143 9.431 4.358 365 HA ALA 55 HA ALA 55 -2.551 8.417 4.757 366 1HB ALA 55 1HB ALA 55 -0.953 10.294 6.531 367 2HB ALA 55 2HB ALA 55 -2.312 9.239 6.986 368 3HB ALA 55 3HB ALA 55 -0.737 8.527 6.561 369 H LYS 56 H LYS 56 -0.776 11.297 3.711 370 HA LYS 56 HA LYS 56 -2.835 13.157 4.151 371 1HB LYS 56 1HB LYS 56 -0.279 13.056 2.617 372 2HB LYS 56 2HB LYS 56 -1.440 14.281 2.149 373 1HG LYS 56 1HG LYS 56 -0.737 13.878 5.076 374 2HG LYS 56 2HG LYS 56 0.307 14.831 4.040 375 1HD LYS 56 1HD LYS 56 -1.478 16.401 3.532 376 2HD LYS 56 2HD LYS 56 -2.687 15.363 4.260 377 1HE LYS 56 1HE LYS 56 -1.665 15.682 6.497 378 2HE LYS 56 2HE LYS 56 -0.373 16.638 5.797 379 1HZ LYS 56 1HZ LYS 56 -2.308 18.044 4.911 380 2HZ LYS 56 2HZ LYS 56 -3.185 17.331 6.090 381 3HZ LYS 56 3HZ LYS 56 -1.862 18.208 6.473 382 H GLU 57 H GLU 57 -1.685 12.251 0.854 383 HA GLU 57 HA GLU 57 -4.483 12.266 0.076 384 1HB GLU 57 1HB GLU 57 -1.925 12.581 -1.551 385 2HB GLU 57 2HB GLU 57 -3.521 12.495 -2.269 386 1HG GLU 57 1HG GLU 57 -3.065 14.490 -0.048 387 2HG GLU 57 2HG GLU 57 -2.399 14.849 -1.628 388 H GLY 58 H GLY 58 -1.627 10.240 0.426 389 1HA GLY 58 1HA GLY 58 -1.766 8.227 -1.294 390 2HA GLY 58 2HA GLY 58 -1.546 7.962 0.424 391 H GLY 59 H GLY 59 -3.859 8.283 1.689 392 1HA GLY 59 1HA GLY 59 -6.136 7.794 1.713 393 2HA GLY 59 2HA GLY 59 -6.006 7.024 0.144 394 H LEU 60 H LEU 60 -3.322 6.069 1.992 395 HA LEU 60 HA LEU 60 -4.240 3.419 2.184 396 1HB LEU 60 1HB LEU 60 -1.859 4.386 1.955 397 2HB LEU 60 2HB LEU 60 -1.907 4.559 3.698 398 HG LEU 60 HG LEU 60 -2.077 2.211 4.038 399 1HD1 LEU 60 1HD1 LEU 60 -2.035 0.734 1.843 400 2HD1 LEU 60 2HD1 LEU 60 -3.562 1.293 2.566 401 3HD1 LEU 60 3HD1 LEU 60 -2.877 2.146 1.161 402 1HD2 LEU 60 1HD2 LEU 60 -0.112 2.453 1.758 403 2HD2 LEU 60 2HD2 LEU 60 0.161 3.211 3.346 404 3HD2 LEU 60 3HD2 LEU 60 -0.007 1.443 3.220 405 H GLN 61 H GLN 61 -3.989 2.208 4.431 406 HA GLN 61 HA GLN 61 -4.888 3.787 6.629 407 1HB GLN 61 1HB GLN 61 -6.898 2.895 4.993 408 2HB GLN 61 2HB GLN 61 -6.758 1.527 6.078 409 1HG GLN 61 1HG GLN 61 -6.765 3.365 7.985 410 2HG GLN 61 2HG GLN 61 -7.442 4.404 6.748 411 1HE2 GLN 61 1HE2 GLN 61 -8.904 2.541 5.282 412 2HE2 GLN 61 2HE2 GLN 61 -10.247 1.975 6.218 413 H ILE 62 H ILE 62 -3.983 2.940 8.465 414 HA ILE 62 HA ILE 62 -2.249 0.861 8.450 415 HB ILE 62 HB ILE 62 -3.932 2.007 10.668 416 1HG1 ILE 62 1HG1 ILE 62 -1.212 2.553 9.526 417 2HG1 ILE 62 2HG1 ILE 62 -2.489 3.674 9.952 418 1HG2 ILE 62 1HG2 ILE 62 -1.532 0.206 11.046 419 2HG2 ILE 62 2HG2 ILE 62 -2.626 0.863 12.286 420 3HG2 ILE 62 3HG2 ILE 62 -3.215 -0.365 11.140 421 1HD1 ILE 62 1HD1 ILE 62 -0.618 3.776 11.582 422 2HD1 ILE 62 2HD1 ILE 62 -2.118 3.223 12.365 423 3HD1 ILE 62 3HD1 ILE 62 -0.846 2.049 11.949 424 H HIS 63 H HIS 63 -2.315 -1.356 9.229 425 HA HIS 63 HA HIS 63 -3.132 -3.391 9.274 426 1HB HIS 63 1HB HIS 63 -5.799 -2.157 10.005 427 2HB HIS 63 2HB HIS 63 -5.292 -3.810 10.289 428 HD1 HIS 63 HD1 HIS 63 -2.567 -3.491 11.597 429 HD2 HIS 63 HD2 HIS 63 -5.824 -0.997 12.473 430 HE1 HIS 63 HE1 HIS 63 -2.110 -2.502 13.905 431 H ASP 64 H ASP 64 -2.853 -2.289 6.761 432 HA ASP 64 HA ASP 64 -5.205 -3.373 5.423 433 1HB ASP 64 1HB ASP 64 -3.578 -0.890 4.890 434 2HB ASP 64 2HB ASP 64 -4.222 -1.748 3.505 435 H ARG 65 H ARG 65 -4.724 -4.848 3.703 436 HA ARG 65 HA ARG 65 -1.921 -5.540 3.530 437 1HB ARG 65 1HB ARG 65 -3.836 -7.238 4.061 438 2HB ARG 65 2HB ARG 65 -4.255 -7.118 2.364 439 1HG ARG 65 1HG ARG 65 -1.701 -7.626 1.939 440 2HG ARG 65 2HG ARG 65 -1.696 -8.185 3.600 441 1HD ARG 65 1HD ARG 65 -3.298 -9.915 3.148 442 2HD ARG 65 2HD ARG 65 -3.792 -9.185 1.634 443 HE ARG 65 HE ARG 65 -1.094 -9.690 1.240 444 1HH1 ARG 65 1HH1 ARG 65 -3.831 -11.666 2.234 445 2HH1 ARG 65 2HH1 ARG 65 -3.184 -13.126 1.563 446 1HH2 ARG 65 1HH2 ARG 65 -0.240 -11.616 0.355 447 2HH2 ARG 65 2HH2 ARG 65 -1.128 -13.097 0.487 448 H ILE 66 H ILE 66 -0.796 -4.704 1.801 449 HA ILE 66 HA ILE 66 -2.103 -3.465 -0.357 450 HB ILE 66 HB ILE 66 0.770 -4.372 -0.199 451 1HG1 ILE 66 1HG1 ILE 66 -0.619 -2.019 1.082 452 2HG1 ILE 66 2HG1 ILE 66 0.431 -3.208 1.826 453 1HG2 ILE 66 1HG2 ILE 66 -0.131 -1.853 -1.527 454 2HG2 ILE 66 2HG2 ILE 66 1.239 -2.926 -1.902 455 3HG2 ILE 66 3HG2 ILE 66 -0.414 -3.401 -2.359 456 1HD1 ILE 66 1HD1 ILE 66 2.182 -1.822 1.468 457 2HD1 ILE 66 2HD1 ILE 66 1.957 -2.047 -0.284 458 3HD1 ILE 66 3HD1 ILE 66 1.145 -0.702 0.552 459 H ILE 67 H ILE 67 -2.490 -4.131 -2.480 460 HA ILE 67 HA ILE 67 -2.229 -7.029 -2.863 461 HB ILE 67 HB ILE 67 -4.087 -5.341 -4.473 462 1HG1 ILE 67 1HG1 ILE 67 -4.437 -4.606 -2.135 463 2HG1 ILE 67 2HG1 ILE 67 -5.825 -5.430 -2.815 464 1HG2 ILE 67 1HG2 ILE 67 -5.360 -7.665 -3.763 465 2HG2 ILE 67 2HG2 ILE 67 -4.429 -7.407 -5.258 466 3HG2 ILE 67 3HG2 ILE 67 -3.657 -8.176 -3.851 467 1HD1 ILE 67 1HD1 ILE 67 -3.727 -6.758 -1.038 468 2HD1 ILE 67 2HD1 ILE 67 -5.319 -6.187 -0.486 469 3HD1 ILE 67 3HD1 ILE 67 -5.210 -7.520 -1.660 470 H GLU 68 H GLU 68 -1.978 -3.805 -4.491 471 HA GLU 68 HA GLU 68 0.196 -4.909 -6.025 472 1HB GLU 68 1HB GLU 68 -2.360 -4.747 -7.168 473 2HB GLU 68 2HB GLU 68 -1.566 -3.296 -7.746 474 1HG GLU 68 1HG GLU 68 -0.444 -4.540 -9.269 475 2HG GLU 68 2HG GLU 68 0.377 -5.371 -7.963 476 H VAL 69 H VAL 69 1.595 -3.220 -6.959 477 HA VAL 69 HA VAL 69 0.975 -0.513 -6.065 478 HB VAL 69 HB VAL 69 2.486 -2.049 -4.482 479 1HG1 VAL 69 1HG1 VAL 69 4.499 -0.778 -6.368 480 2HG1 VAL 69 2HG1 VAL 69 4.862 -1.668 -4.870 481 3HG1 VAL 69 3HG1 VAL 69 4.143 -2.519 -6.259 482 1HG2 VAL 69 1HG2 VAL 69 3.646 0.643 -4.679 483 2HG2 VAL 69 2HG2 VAL 69 1.866 0.631 -4.677 484 3HG2 VAL 69 3HG2 VAL 69 2.764 -0.132 -3.342 485 H ASN 70 H ASN 70 1.097 0.744 -7.844 486 HA ASN 70 HA ASN 70 1.711 1.541 -9.764 487 1HB ASN 70 1HB ASN 70 4.050 1.362 -8.447 488 2HB ASN 70 2HB ASN 70 4.411 0.164 -9.674 489 1HD2 ASN 70 1HD2 ASN 70 4.259 3.442 -8.891 490 2HD2 ASN 70 2HD2 ASN 70 4.554 4.137 -10.449 491 H GLY 71 H GLY 71 0.832 -1.448 -9.352 492 1HA GLY 71 1HA GLY 71 0.024 -2.794 -11.098 493 2HA GLY 71 2HA GLY 71 1.343 -2.272 -12.127 494 H ARG 72 H ARG 72 2.741 -2.720 -9.118 495 HA ARG 72 HA ARG 72 3.699 -5.300 -9.961 496 1HB ARG 72 1HB ARG 72 4.849 -3.030 -8.649 497 2HB ARG 72 2HB ARG 72 4.884 -4.329 -7.474 498 1HG ARG 72 1HG ARG 72 5.799 -5.767 -9.524 499 2HG ARG 72 2HG ARG 72 6.207 -4.199 -10.193 500 1HD ARG 72 1HD ARG 72 7.411 -3.678 -7.985 501 2HD ARG 72 2HD ARG 72 7.155 -5.350 -7.527 502 HE ARG 72 HE ARG 72 9.057 -4.358 -9.519 503 1HH1 ARG 72 1HH1 ARG 72 7.203 -7.155 -8.459 504 2HH1 ARG 72 2HH1 ARG 72 8.266 -8.302 -9.204 505 1HH2 ARG 72 1HH2 ARG 72 10.459 -5.871 -10.502 506 2HH2 ARG 72 2HH2 ARG 72 10.131 -7.567 -10.374 507 H ASP 73 H ASP 73 3.086 -7.210 -8.960 508 HA ASP 73 HA ASP 73 1.134 -7.020 -6.906 509 1HB ASP 73 1HB ASP 73 0.736 -8.773 -8.441 510 2HB ASP 73 2HB ASP 73 2.425 -9.237 -8.504 511 H LEU 74 H LEU 74 1.586 -7.128 -4.694 512 HA LEU 74 HA LEU 74 4.164 -8.305 -3.927 513 1HB LEU 74 1HB LEU 74 2.939 -5.964 -2.496 514 2HB LEU 74 2HB LEU 74 4.569 -6.597 -2.377 515 HG LEU 74 HG LEU 74 3.451 -5.254 -4.852 516 1HD1 LEU 74 1HD1 LEU 74 5.181 -3.440 -4.001 517 2HD1 LEU 74 2HD1 LEU 74 3.489 -3.454 -3.447 518 3HD1 LEU 74 3HD1 LEU 74 4.769 -4.137 -2.415 519 1HD2 LEU 74 1HD2 LEU 74 5.474 -5.503 -5.850 520 2HD2 LEU 74 2HD2 LEU 74 6.371 -5.457 -4.313 521 3HD2 LEU 74 3HD2 LEU 74 5.521 -6.942 -4.804 522 H SER 75 H SER 75 0.944 -8.808 -4.013 523 HA SER 75 HA SER 75 0.100 -9.147 -1.459 524 1HB SER 75 1HB SER 75 -1.196 -11.193 -2.583 525 2HB SER 75 2HB SER 75 -1.585 -9.535 -2.994 526 HG SER 75 HG SER 75 -0.691 -11.509 -4.630 527 H ARG 76 H ARG 76 2.189 -11.262 -3.481 528 HA ARG 76 HA ARG 76 2.465 -12.989 -1.155 529 1HB ARG 76 1HB ARG 76 3.279 -14.724 -2.797 530 2HB ARG 76 2HB ARG 76 1.630 -14.215 -3.106 531 1HG ARG 76 1HG ARG 76 2.217 -12.982 -5.026 532 2HG ARG 76 2HG ARG 76 3.869 -12.738 -4.497 533 1HD ARG 76 1HD ARG 76 4.429 -15.089 -4.950 534 2HD ARG 76 2HD ARG 76 2.753 -15.469 -5.292 535 HE ARG 76 HE ARG 76 4.633 -14.078 -7.071 536 1HH1 ARG 76 1HH1 ARG 76 1.251 -14.753 -6.375 537 2HH1 ARG 76 2HH1 ARG 76 0.719 -14.419 -7.989 538 1HH2 ARG 76 1HH2 ARG 76 3.932 -13.637 -9.201 539 2HH2 ARG 76 2HH2 ARG 76 2.255 -13.780 -9.607 540 H ALA 77 H ALA 77 3.845 -10.340 -1.880 541 HA ALA 77 HA ALA 77 6.578 -11.274 -2.308 542 1HB ALA 77 1HB ALA 77 5.306 -8.507 -2.289 543 2HB ALA 77 2HB ALA 77 7.034 -8.828 -2.576 544 3HB ALA 77 3HB ALA 77 5.813 -9.439 -3.718 545 H THR 78 H THR 78 8.289 -10.116 -0.899 546 HA THR 78 HA THR 78 7.353 -10.282 1.876 547 HB THR 78 HB THR 78 9.165 -11.838 1.121 548 HG1 THR 78 HG1 THR 78 10.578 -11.117 2.888 549 1HG2 THR 78 1HG2 THR 78 11.201 -11.107 0.230 550 2HG2 THR 78 2HG2 THR 78 10.132 -9.868 -0.470 551 3HG2 THR 78 3HG2 THR 78 11.073 -9.506 0.997 552 H HIS 79 H HIS 79 9.186 -8.868 3.267 553 HA HIS 79 HA HIS 79 8.256 -6.252 2.878 554 1HB HIS 79 1HB HIS 79 8.912 -7.326 5.052 555 2HB HIS 79 2HB HIS 79 10.591 -7.181 4.571 556 HD1 HIS 79 HD1 HIS 79 11.747 -5.013 5.125 557 HD2 HIS 79 HD2 HIS 79 7.568 -4.688 5.282 558 HE1 HIS 79 HE1 HIS 79 11.245 -2.689 6.052 559 H ASP 80 H ASP 80 11.354 -7.932 2.118 560 HA ASP 80 HA ASP 80 12.757 -5.694 1.363 561 1HB ASP 80 1HB ASP 80 12.958 -8.606 1.062 562 2HB ASP 80 2HB ASP 80 13.563 -7.794 -0.368 563 H GLN 81 H GLN 81 10.721 -8.030 -0.543 564 HA GLN 81 HA GLN 81 11.139 -6.814 -2.999 565 1HB GLN 81 1HB GLN 81 8.903 -8.581 -1.933 566 2HB GLN 81 2HB GLN 81 8.953 -8.049 -3.602 567 1HG GLN 81 1HG GLN 81 11.118 -9.136 -3.958 568 2HG GLN 81 2HG GLN 81 11.274 -9.499 -2.251 569 1HE2 GLN 81 1HE2 GLN 81 8.891 -9.885 -4.875 570 2HE2 GLN 81 2HE2 GLN 81 8.457 -11.528 -4.537 571 H ALA 82 H ALA 82 8.365 -6.548 -0.663 572 HA ALA 82 HA ALA 82 6.848 -4.748 -2.066 573 1HB ALA 82 1HB ALA 82 5.940 -5.763 -0.125 574 2HB ALA 82 2HB ALA 82 7.298 -5.228 0.894 575 3HB ALA 82 3HB ALA 82 6.108 -4.043 0.303 576 H VAL 83 H VAL 83 9.421 -4.041 0.405 577 HA VAL 83 HA VAL 83 9.307 -1.302 0.246 578 HB VAL 83 HB VAL 83 11.542 -3.242 0.810 579 1HG1 VAL 83 1HG1 VAL 83 12.877 -1.388 1.677 580 2HG1 VAL 83 2HG1 VAL 83 12.537 -1.154 -0.054 581 3HG1 VAL 83 3HG1 VAL 83 11.630 -0.226 1.164 582 1HG2 VAL 83 1HG2 VAL 83 11.124 -2.773 3.099 583 2HG2 VAL 83 2HG2 VAL 83 10.102 -1.370 2.705 584 3HG2 VAL 83 3HG2 VAL 83 9.528 -3.017 2.350 585 H GLU 84 H GLU 84 11.456 -3.555 -1.632 586 HA GLU 84 HA GLU 84 12.673 -1.652 -3.141 587 1HB GLU 84 1HB GLU 84 13.344 -4.025 -3.098 588 2HB GLU 84 2HB GLU 84 11.871 -4.488 -3.927 589 1HG GLU 84 1HG GLU 84 12.649 -3.806 -5.980 590 2HG GLU 84 2HG GLU 84 13.413 -2.369 -5.329 591 H ALA 85 H ALA 85 9.541 -3.359 -3.738 592 HA ALA 85 HA ALA 85 9.016 -2.383 -6.257 593 1HB ALA 85 1HB ALA 85 6.554 -2.612 -5.368 594 2HB ALA 85 2HB ALA 85 7.586 -4.058 -5.474 595 3HB ALA 85 3HB ALA 85 7.337 -3.256 -3.905 596 H PHE 86 H PHE 86 8.167 -0.951 -3.029 597 HA PHE 86 HA PHE 86 6.996 1.347 -4.150 598 1HB PHE 86 1HB PHE 86 8.118 0.407 -1.478 599 2HB PHE 86 2HB PHE 86 7.699 2.101 -1.638 600 HD1 PHE 86 HD1 PHE 86 6.466 -1.184 -1.004 601 HD2 PHE 86 HD2 PHE 86 5.305 2.669 -2.351 602 HE1 PHE 86 HE1 PHE 86 4.069 -1.728 -0.493 603 HE2 PHE 86 HE2 PHE 86 2.908 2.125 -1.840 604 HZ PHE 86 HZ PHE 86 2.319 -0.067 -0.917 605 H LYS 87 H LYS 87 10.327 0.385 -3.481 606 HA LYS 87 HA LYS 87 11.330 3.063 -3.439 607 1HB LYS 87 1HB LYS 87 12.582 1.542 -2.178 608 2HB LYS 87 2HB LYS 87 12.541 0.308 -3.421 609 1HG LYS 87 1HG LYS 87 14.020 1.659 -4.871 610 2HG LYS 87 2HG LYS 87 13.988 2.982 -3.723 611 1HD LYS 87 1HD LYS 87 14.942 0.215 -2.895 612 2HD LYS 87 2HD LYS 87 16.030 1.348 -3.672 613 1HE LYS 87 1HE LYS 87 14.508 1.797 -1.061 614 2HE LYS 87 2HE LYS 87 16.236 1.556 -1.229 615 1HZ LYS 87 1HZ LYS 87 15.939 3.596 -2.822 616 2HZ LYS 87 2HZ LYS 87 14.655 3.890 -1.857 617 3HZ LYS 87 3HZ LYS 87 16.154 3.789 -1.215 618 H THR 88 H THR 88 10.908 0.429 -5.838 619 HA THR 88 HA THR 88 12.144 2.112 -7.881 620 HB THR 88 HB THR 88 12.084 0.029 -9.204 621 HG1 THR 88 HG1 THR 88 10.841 -1.180 -6.869 622 1HG2 THR 88 1HG2 THR 88 13.943 -0.441 -7.906 623 2HG2 THR 88 2HG2 THR 88 13.105 -0.026 -6.392 624 3HG2 THR 88 3HG2 THR 88 12.857 -1.623 -7.138 625 H ALA 89 H ALA 89 9.229 2.080 -6.398 626 HA ALA 89 HA ALA 89 7.513 1.969 -8.673 627 1HB ALA 89 1HB ALA 89 7.186 2.936 -5.808 628 2HB ALA 89 2HB ALA 89 5.861 2.912 -6.997 629 3HB ALA 89 3HB ALA 89 6.642 1.390 -6.503 630 H LYS 90 H LYS 90 6.510 3.718 -9.778 631 HA LYS 90 HA LYS 90 7.956 6.252 -9.436 632 1HB LYS 90 1HB LYS 90 7.126 4.688 -11.818 633 2HB LYS 90 2HB LYS 90 6.895 6.421 -11.928 634 1HG LYS 90 1HG LYS 90 9.515 5.080 -11.109 635 2HG LYS 90 2HG LYS 90 9.165 5.661 -12.724 636 1HD LYS 90 1HD LYS 90 8.649 7.699 -10.643 637 2HD LYS 90 2HD LYS 90 10.316 7.159 -10.659 638 1HE LYS 90 1HE LYS 90 10.529 7.695 -13.050 639 2HE LYS 90 2HE LYS 90 8.820 8.063 -13.164 640 1HZ LYS 90 1HZ LYS 90 9.090 9.967 -11.926 641 2HZ LYS 90 2HZ LYS 90 10.508 9.499 -11.263 642 3HZ LYS 90 3HZ LYS 90 10.450 9.958 -12.830 643 H GLU 91 H GLU 91 6.718 8.242 -9.677 644 HA GLU 91 HA GLU 91 4.046 7.837 -8.657 645 1HB GLU 91 1HB GLU 91 5.553 10.467 -8.949 646 2HB GLU 91 2HB GLU 91 4.149 10.156 -7.948 647 1HG GLU 91 1HG GLU 91 5.417 9.318 -6.252 648 2HG GLU 91 2HG GLU 91 6.311 8.268 -7.334 649 HA PRO 92 HA PRO 92 2.381 8.895 -8.459 650 1HB PRO 92 1HB PRO 92 -0.203 8.299 -9.116 651 2HB PRO 92 2HB PRO 92 0.368 9.936 -8.864 652 1HG PRO 92 1HG PRO 92 -0.261 8.563 -11.406 653 2HG PRO 92 2HG PRO 92 -0.106 10.281 -11.095 654 1HD PRO 92 1HD PRO 92 1.818 8.589 -12.384 655 2HD PRO 92 2HD PRO 92 2.020 10.280 -11.969 656 H ILE 93 H ILE 93 2.178 7.184 -7.059 657 HA ILE 93 HA ILE 93 2.555 4.643 -8.430 658 HB ILE 93 HB ILE 93 2.851 5.365 -5.512 659 1HG1 ILE 93 1HG1 ILE 93 5.159 4.881 -7.369 660 2HG1 ILE 93 2HG1 ILE 93 4.395 6.458 -7.349 661 1HG2 ILE 93 1HG2 ILE 93 4.306 3.221 -5.632 662 2HG2 ILE 93 2HG2 ILE 93 2.536 3.068 -5.527 663 3HG2 ILE 93 3HG2 ILE 93 3.356 2.857 -7.093 664 1HD1 ILE 93 1HD1 ILE 93 6.391 5.731 -5.634 665 2HD1 ILE 93 2HD1 ILE 93 5.167 6.964 -5.243 666 3HD1 ILE 93 3HD1 ILE 93 4.967 5.294 -4.659 667 H VAL 94 H VAL 94 0.785 3.463 -8.899 668 HA VAL 94 HA VAL 94 -1.646 3.957 -7.420 669 HB VAL 94 HB VAL 94 -1.052 2.077 -9.714 670 1HG1 VAL 94 1HG1 VAL 94 -3.496 2.141 -10.081 671 2HG1 VAL 94 2HG1 VAL 94 -3.070 1.448 -8.498 672 3HG1 VAL 94 3HG1 VAL 94 -3.681 3.117 -8.604 673 1HG2 VAL 94 1HG2 VAL 94 -1.360 4.977 -9.614 674 2HG2 VAL 94 2HG2 VAL 94 -0.832 3.928 -10.952 675 3HG2 VAL 94 3HG2 VAL 94 -2.567 4.209 -10.673 676 H VAL 95 H VAL 95 -1.953 2.973 -5.491 677 HA VAL 95 HA VAL 95 -0.918 0.232 -5.242 678 HB VAL 95 HB VAL 95 -1.484 1.731 -2.781 679 1HG1 VAL 95 1HG1 VAL 95 -0.259 -0.020 -2.117 680 2HG1 VAL 95 2HG1 VAL 95 0.289 -0.361 -3.776 681 3HG1 VAL 95 3HG1 VAL 95 1.156 0.833 -2.781 682 1HG2 VAL 95 1HG2 VAL 95 -0.645 3.627 -3.984 683 2HG2 VAL 95 2HG2 VAL 95 0.666 3.035 -2.936 684 3HG2 VAL 95 3HG2 VAL 95 0.688 2.673 -4.678 685 H GLN 96 H GLN 96 -2.265 -1.294 -4.084 686 HA GLN 96 HA GLN 96 -5.000 -0.377 -3.735 687 1HB GLN 96 1HB GLN 96 -5.057 -1.415 -5.906 688 2HB GLN 96 2HB GLN 96 -4.074 -2.765 -5.373 689 1HG GLN 96 1HG GLN 96 -5.880 -3.895 -4.568 690 2HG GLN 96 2HG GLN 96 -6.474 -2.491 -3.705 691 1HE2 GLN 96 1HE2 GLN 96 -6.815 -4.521 -6.395 692 2HE2 GLN 96 2HE2 GLN 96 -8.072 -3.681 -7.240 693 H VAL 97 H VAL 97 -6.130 -1.389 -2.017 694 HA VAL 97 HA VAL 97 -4.591 -3.411 -0.549 695 HB VAL 97 HB VAL 97 -5.534 -2.274 1.525 696 1HG1 VAL 97 1HG1 VAL 97 -3.301 -1.289 -0.208 697 2HG1 VAL 97 2HG1 VAL 97 -3.719 -0.351 1.246 698 3HG1 VAL 97 3HG1 VAL 97 -3.253 -2.062 1.395 699 1HG2 VAL 97 1HG2 VAL 97 -7.112 -0.825 0.089 700 2HG2 VAL 97 2HG2 VAL 97 -6.269 -0.045 1.448 701 3HG2 VAL 97 3HG2 VAL 97 -5.683 0.191 -0.216 702 H LEU 98 H LEU 98 -6.048 -4.637 1.036 703 HA LEU 98 HA LEU 98 -8.652 -5.009 -0.267 704 1HB LEU 98 1HB LEU 98 -6.627 -6.860 0.861 705 2HB LEU 98 2HB LEU 98 -8.307 -7.272 1.140 706 HG LEU 98 HG LEU 98 -7.120 -6.739 -1.596 707 1HD1 LEU 98 1HD1 LEU 98 -7.905 -9.487 -0.764 708 2HD1 LEU 98 2HD1 LEU 98 -6.632 -8.938 -1.880 709 3HD1 LEU 98 3HD1 LEU 98 -6.378 -8.836 -0.121 710 1HD2 LEU 98 1HD2 LEU 98 -9.245 -6.594 -2.234 711 2HD2 LEU 98 2HD2 LEU 98 -9.403 -8.321 -1.835 712 3HD2 LEU 98 3HD2 LEU 98 -9.836 -7.086 -0.629 713 H ARG 99 H ARG 99 -10.307 -4.108 0.824 714 HA ARG 99 HA ARG 99 -10.102 -4.206 3.727 715 1HB ARG 99 1HB ARG 99 -11.279 -1.988 1.978 716 2HB ARG 99 2HB ARG 99 -11.473 -2.051 3.719 717 1HG ARG 99 1HG ARG 99 -8.712 -2.396 3.388 718 2HG ARG 99 2HG ARG 99 -9.116 -1.254 2.122 719 1HD ARG 99 1HD ARG 99 -10.379 -0.699 4.776 720 2HD ARG 99 2HD ARG 99 -8.634 -0.542 4.735 721 HE ARG 99 HE ARG 99 -8.825 1.267 3.202 722 1HH1 ARG 99 1HH1 ARG 99 -11.963 -0.183 3.859 723 2HH1 ARG 99 2HH1 ARG 99 -12.857 1.125 3.158 724 1HH2 ARG 99 1HH2 ARG 99 -10.004 2.993 2.277 725 2HH2 ARG 99 2HH2 ARG 99 -11.735 2.943 2.252 726 H ARG 100 H ARG 100 -11.974 -4.920 4.830 727 HA ARG 100 HA ARG 100 -13.768 -6.420 3.367 728 1HB ARG 100 1HB ARG 100 -14.336 -5.321 6.154 729 2HB ARG 100 2HB ARG 100 -14.853 -6.855 5.484 730 1HG ARG 100 1HG ARG 100 -13.007 -7.814 6.383 731 2HG ARG 100 2HG ARG 100 -12.028 -6.894 5.257 732 1HD ARG 100 1HD ARG 100 -12.971 -5.392 7.672 733 2HD ARG 100 2HD ARG 100 -11.815 -6.672 7.981 734 HE ARG 100 HE ARG 100 -11.230 -4.137 6.769 735 1HH1 ARG 100 1HH1 ARG 100 -10.410 -7.546 6.470 736 2HH1 ARG 100 2HH1 ARG 100 -8.846 -7.242 5.792 737 1HH2 ARG 100 1HH2 ARG 100 -9.166 -3.735 5.875 738 2HH2 ARG 100 2HH2 ARG 100 -8.133 -5.059 5.451 739 H THR 101 H THR 101 -14.318 -3.350 5.260 740 HA THR 101 HA THR 101 -16.084 -1.944 5.218 741 HB THR 101 HB THR 101 -14.590 -0.937 3.596 742 HG1 THR 101 HG1 THR 101 -17.185 -1.345 2.299 743 1HG2 THR 101 1HG2 THR 101 -14.757 -1.539 1.159 744 2HG2 THR 101 2HG2 THR 101 -14.138 -2.896 2.131 745 3HG2 THR 101 3HG2 THR 101 -15.833 -2.891 1.588 746 H SER 102 H SER 102 -17.603 -3.677 5.883 747 HA SER 102 HA SER 102 -19.822 -3.587 4.164 748 1HB SER 102 1HB SER 102 -18.360 -5.482 3.182 749 2HB SER 102 2HB SER 102 -18.726 -6.385 4.639 750 HG SER 102 HG SER 102 -20.811 -6.643 4.032 751 H GLY 103 H GLY 103 -20.482 -2.579 6.240 752 1HA GLY 103 1HA GLY 103 -22.096 -4.098 7.823 753 2HA GLY 103 2HA GLY 103 -20.541 -4.178 8.628 754 HA PRO 104 HA PRO 104 -22.474 0.165 8.866 755 1HB PRO 104 1HB PRO 104 -25.091 0.075 9.650 756 2HB PRO 104 2HB PRO 104 -24.597 0.322 7.987 757 1HG PRO 104 1HG PRO 104 -25.707 -2.110 9.249 758 2HG PRO 104 2HG PRO 104 -25.608 -1.704 7.547 759 1HD PRO 104 1HD PRO 104 -23.925 -3.535 8.975 760 2HD PRO 104 2HD PRO 104 -23.754 -3.041 7.302 761 H SER 105 H SER 105 -20.822 -0.284 10.512 762 HA SER 105 HA SER 105 -21.775 -1.171 13.004 763 1HB SER 105 1HB SER 105 -19.494 -0.336 13.801 764 2HB SER 105 2HB SER 105 -19.462 -1.535 12.524 765 HG SER 105 HG SER 105 -18.528 -0.126 11.208 766 H SER 106 H SER 106 -21.961 0.101 15.004 767 HA SER 106 HA SER 106 -21.904 2.941 14.753 768 1HB SER 106 1HB SER 106 -24.493 1.402 14.876 769 2HB SER 106 2HB SER 106 -24.390 2.910 15.763 770 HG SER 106 HG SER 106 -23.449 3.718 13.549 771 H GLY 107 H GLY 107 -21.801 3.969 16.840 772 1HA GLY 107 1HA GLY 107 -22.009 3.974 19.171 773 2HA GLY 107 2HA GLY 107 -22.060 2.222 19.186 Start of MODEL 5 1 1H GLY 1 1H GLY 1 -8.025 -17.516 -12.943 2 1HA GLY 1 1HA GLY 1 -9.416 -18.734 -11.481 3 2HA GLY 1 2HA GLY 1 -8.627 -20.224 -11.961 4 H SER 2 H SER 2 -8.497 -20.465 -9.506 5 HA SER 2 HA SER 2 -7.276 -20.588 -7.716 6 1HB SER 2 1HB SER 2 -5.329 -20.149 -9.798 7 2HB SER 2 2HB SER 2 -4.804 -19.270 -8.377 8 HG SER 2 HG SER 2 -4.623 -21.136 -7.211 9 H SER 3 H SER 3 -7.545 -19.338 -5.894 10 HA SER 3 HA SER 3 -7.758 -17.611 -4.598 11 1HB SER 3 1HB SER 3 -5.367 -17.143 -5.834 12 2HB SER 3 2HB SER 3 -6.226 -15.689 -6.303 13 HG SER 3 HG SER 3 -6.069 -14.934 -4.304 14 H GLY 4 H GLY 4 -9.272 -15.908 -4.292 15 1HA GLY 4 1HA GLY 4 -10.482 -14.828 -6.766 16 2HA GLY 4 2HA GLY 4 -11.445 -15.445 -5.437 17 H SER 5 H SER 5 -11.880 -12.839 -6.231 18 HA SER 5 HA SER 5 -10.300 -11.192 -4.459 19 1HB SER 5 1HB SER 5 -11.173 -10.700 -6.971 20 2HB SER 5 2HB SER 5 -12.553 -10.066 -6.097 21 HG SER 5 HG SER 5 -9.937 -9.062 -6.298 22 H SER 6 H SER 6 -11.071 -11.761 -2.368 23 HA SER 6 HA SER 6 -13.925 -11.647 -1.969 24 1HB SER 6 1HB SER 6 -12.574 -13.498 -0.967 25 2HB SER 6 2HB SER 6 -11.671 -12.327 -0.027 26 HG SER 6 HG SER 6 -13.342 -13.190 1.276 27 H GLY 7 H GLY 7 -14.672 -10.448 0.134 28 1HA GLY 7 1HA GLY 7 -14.881 -8.541 1.304 29 2HA GLY 7 2HA GLY 7 -13.141 -8.354 1.215 30 H LYS 8 H LYS 8 -12.416 -6.548 0.183 31 HA LYS 8 HA LYS 8 -13.737 -5.687 -2.229 32 1HB LYS 8 1HB LYS 8 -14.480 -4.526 0.261 33 2HB LYS 8 2HB LYS 8 -13.504 -3.342 -0.585 34 1HG LYS 8 1HG LYS 8 -15.455 -2.838 -1.672 35 2HG LYS 8 2HG LYS 8 -15.069 -4.234 -2.658 36 1HD LYS 8 1HD LYS 8 -16.578 -5.645 -1.502 37 2HD LYS 8 2HD LYS 8 -16.580 -4.641 -0.066 38 1HE LYS 8 1HE LYS 8 -18.002 -2.999 -1.058 39 2HE LYS 8 2HE LYS 8 -17.657 -3.547 -2.687 40 1HZ LYS 8 1HZ LYS 8 -19.818 -4.265 -1.843 41 2HZ LYS 8 2HZ LYS 8 -18.875 -5.528 -2.269 42 3HZ LYS 8 3HZ LYS 8 -19.085 -5.162 -0.691 43 H SER 9 H SER 9 -12.442 -4.022 -3.373 44 HA SER 9 HA SER 9 -9.723 -3.917 -2.339 45 1HB SER 9 1HB SER 9 -8.803 -4.399 -4.530 46 2HB SER 9 2HB SER 9 -9.932 -5.677 -4.124 47 HG SER 9 HG SER 9 -9.967 -4.414 -6.359 48 H LEU 10 H LEU 10 -9.131 -1.795 -2.105 49 HA LEU 10 HA LEU 10 -10.439 0.142 -3.885 50 1HB LEU 10 1HB LEU 10 -9.199 0.893 -1.271 51 2HB LEU 10 2HB LEU 10 -10.469 1.691 -2.177 52 HG LEU 10 HG LEU 10 -10.748 -0.902 -0.631 53 1HD1 LEU 10 1HD1 LEU 10 -11.010 0.407 1.144 54 2HD1 LEU 10 2HD1 LEU 10 -10.961 1.881 0.148 55 3HD1 LEU 10 3HD1 LEU 10 -12.500 1.022 0.389 56 1HD2 LEU 10 1HD2 LEU 10 -13.213 0.431 -1.446 57 2HD2 LEU 10 2HD2 LEU 10 -12.232 -0.109 -2.829 58 3HD2 LEU 10 3HD2 LEU 10 -12.728 -1.277 -1.581 59 H THR 11 H THR 11 -9.122 1.945 -4.657 60 HA THR 11 HA THR 11 -6.301 1.140 -4.889 61 HB THR 11 HB THR 11 -7.721 3.095 -6.723 62 HG1 THR 11 HG1 THR 11 -9.140 1.359 -6.883 63 1HG2 THR 11 1HG2 THR 11 -6.337 1.759 -8.416 64 2HG2 THR 11 2HG2 THR 11 -5.368 2.682 -7.242 65 3HG2 THR 11 3HG2 THR 11 -5.583 0.927 -7.034 66 H LEU 12 H LEU 12 -4.637 2.556 -4.444 67 HA LEU 12 HA LEU 12 -5.417 5.215 -3.531 68 1HB LEU 12 1HB LEU 12 -3.414 4.182 -1.773 69 2HB LEU 12 2HB LEU 12 -4.983 4.869 -1.402 70 HG LEU 12 HG LEU 12 -5.735 2.378 -2.182 71 1HD1 LEU 12 1HD1 LEU 12 -3.922 1.087 -2.421 72 2HD1 LEU 12 2HD1 LEU 12 -2.870 2.225 -1.544 73 3HD1 LEU 12 3HD1 LEU 12 -3.886 1.074 -0.642 74 1HD2 LEU 12 1HD2 LEU 12 -5.029 2.244 0.599 75 2HD2 LEU 12 2HD2 LEU 12 -5.607 3.881 0.207 76 3HD2 LEU 12 3HD2 LEU 12 -6.626 2.467 -0.154 77 H VAL 13 H VAL 13 -3.985 6.793 -4.152 78 HA VAL 13 HA VAL 13 -1.655 5.821 -5.632 79 HB VAL 13 HB VAL 13 -3.609 7.396 -6.493 80 1HG1 VAL 13 1HG1 VAL 13 -1.605 9.418 -5.445 81 2HG1 VAL 13 2HG1 VAL 13 -3.112 9.742 -6.334 82 3HG1 VAL 13 3HG1 VAL 13 -3.178 9.081 -4.683 83 1HG2 VAL 13 1HG2 VAL 13 -2.181 8.094 -8.258 84 2HG2 VAL 13 2HG2 VAL 13 -0.741 8.053 -7.212 85 3HG2 VAL 13 3HG2 VAL 13 -1.535 6.534 -7.693 86 H LEU 14 H LEU 14 0.264 5.871 -4.594 87 HA LEU 14 HA LEU 14 0.554 7.864 -2.459 88 1HB LEU 14 1HB LEU 14 2.183 5.355 -2.775 89 2HB LEU 14 2HB LEU 14 2.043 6.395 -1.372 90 HG LEU 14 HG LEU 14 -0.019 4.474 -2.466 91 1HD1 LEU 14 1HD1 LEU 14 0.174 3.798 0.082 92 2HD1 LEU 14 2HD1 LEU 14 1.331 3.199 -1.131 93 3HD1 LEU 14 3HD1 LEU 14 1.773 4.563 -0.075 94 1HD2 LEU 14 1HD2 LEU 14 -0.999 5.542 -0.068 95 2HD2 LEU 14 2HD2 LEU 14 -0.472 6.943 -1.030 96 3HD2 LEU 14 3HD2 LEU 14 -1.642 5.786 -1.709 97 H HIS 15 H HIS 15 2.666 8.926 -2.253 98 HA HIS 15 HA HIS 15 4.155 8.902 -4.771 99 1HB HIS 15 1HB HIS 15 3.173 11.313 -3.228 100 2HB HIS 15 2HB HIS 15 4.442 11.401 -4.433 101 HD1 HIS 15 HD1 HIS 15 3.708 11.734 -6.814 102 HD2 HIS 15 HD2 HIS 15 0.611 10.304 -4.372 103 HE1 HIS 15 HE1 HIS 15 1.599 11.752 -8.250 104 H ARG 16 H ARG 16 6.268 10.484 -4.227 105 HA ARG 16 HA ARG 16 7.266 9.425 -1.705 106 1HB ARG 16 1HB ARG 16 8.697 9.667 -4.394 107 2HB ARG 16 2HB ARG 16 9.554 9.374 -2.894 108 1HG ARG 16 1HG ARG 16 7.843 7.381 -2.590 109 2HG ARG 16 2HG ARG 16 7.565 7.573 -4.310 110 1HD ARG 16 1HD ARG 16 10.442 7.508 -3.496 111 2HD ARG 16 2HD ARG 16 9.565 6.013 -3.238 112 HE ARG 16 HE ARG 16 9.304 5.758 -5.575 113 1HH1 ARG 16 1HH1 ARG 16 10.616 8.936 -4.826 114 2HH1 ARG 16 2HH1 ARG 16 11.027 9.294 -6.470 115 1HH2 ARG 16 1HH2 ARG 16 9.846 6.230 -7.744 116 2HH2 ARG 16 2HH2 ARG 16 10.586 7.745 -8.141 117 H ASP 17 H ASP 17 6.911 11.403 -0.557 118 HA ASP 17 HA ASP 17 7.413 13.898 -1.558 119 1HB ASP 17 1HB ASP 17 6.220 13.873 0.461 120 2HB ASP 17 2HB ASP 17 7.271 12.674 1.190 121 H SER 18 H SER 18 9.486 11.698 0.474 122 HA SER 18 HA SER 18 11.817 12.610 -0.818 123 1HB SER 18 1HB SER 18 12.946 13.641 1.094 124 2HB SER 18 2HB SER 18 11.470 14.518 0.744 125 HG SER 18 HG SER 18 11.861 14.017 3.061 126 H GLY 19 H GLY 19 11.837 10.265 -1.164 127 1HA GLY 19 1HA GLY 19 12.371 8.135 -0.676 128 2HA GLY 19 2HA GLY 19 13.492 8.822 0.484 129 H SER 20 H SER 20 9.875 8.992 0.476 130 HA SER 20 HA SER 20 9.691 7.017 2.499 131 1HB SER 20 1HB SER 20 10.477 9.151 3.714 132 2HB SER 20 2HB SER 20 8.920 9.847 3.312 133 HG SER 20 HG SER 20 9.181 7.323 4.699 134 H LEU 21 H LEU 21 7.910 5.953 1.710 135 HA LEU 21 HA LEU 21 6.039 7.156 0.024 136 1HB LEU 21 1HB LEU 21 6.240 4.571 1.512 137 2HB LEU 21 2HB LEU 21 4.714 5.006 0.767 138 HG LEU 21 HG LEU 21 6.051 3.551 -0.672 139 1HD1 LEU 21 1HD1 LEU 21 4.968 6.117 -1.424 140 2HD1 LEU 21 2HD1 LEU 21 6.304 5.663 -2.509 141 3HD1 LEU 21 3HD1 LEU 21 4.921 4.564 -2.291 142 1HD2 LEU 21 1HD2 LEU 21 8.115 4.542 -1.768 143 2HD2 LEU 21 2HD2 LEU 21 8.112 5.749 -0.460 144 3HD2 LEU 21 3HD2 LEU 21 8.285 4.020 -0.075 145 H GLY 22 H GLY 22 6.311 6.939 3.546 146 1HA GLY 22 1HA GLY 22 5.193 8.558 4.869 147 2HA GLY 22 2HA GLY 22 3.846 8.543 3.749 148 H PHE 23 H PHE 23 5.481 5.536 4.761 149 HA PHE 23 HA PHE 23 3.852 4.957 6.953 150 1HB PHE 23 1HB PHE 23 2.170 3.564 5.927 151 2HB PHE 23 2HB PHE 23 2.237 4.961 4.872 152 HD1 PHE 23 HD1 PHE 23 4.604 4.461 3.244 153 HD2 PHE 23 HD2 PHE 23 1.639 1.745 4.601 154 HE1 PHE 23 HE1 PHE 23 5.081 2.962 1.288 155 HE2 PHE 23 HE2 PHE 23 2.116 0.246 2.646 156 HZ PHE 23 HZ PHE 23 3.832 0.872 1.012 157 H ASN 24 H ASN 24 3.780 2.322 7.177 158 HA ASN 24 HA ASN 24 6.342 1.374 6.173 159 1HB ASN 24 1HB ASN 24 5.876 2.064 8.840 160 2HB ASN 24 2HB ASN 24 5.536 0.345 8.851 161 1HD2 ASN 24 1HD2 ASN 24 7.442 0.455 10.298 162 2HD2 ASN 24 2HD2 ASN 24 9.022 0.283 9.609 163 H ILE 25 H ILE 25 6.441 -1.166 6.490 164 HA ILE 25 HA ILE 25 3.751 -2.315 6.391 165 HB ILE 25 HB ILE 25 4.819 -3.829 4.547 166 1HG1 ILE 25 1HG1 ILE 25 6.330 -1.260 4.019 167 2HG1 ILE 25 2HG1 ILE 25 7.060 -2.655 4.787 168 1HG2 ILE 25 1HG2 ILE 25 2.821 -2.609 4.147 169 2HG2 ILE 25 2HG2 ILE 25 3.689 -1.055 4.130 170 3HG2 ILE 25 3HG2 ILE 25 3.936 -2.226 2.813 171 1HD1 ILE 25 1HD1 ILE 25 6.011 -2.381 1.962 172 2HD1 ILE 25 2HD1 ILE 25 7.578 -3.013 2.522 173 3HD1 ILE 25 3HD1 ILE 25 6.104 -3.990 2.719 174 H ILE 26 H ILE 26 3.827 -4.751 6.699 175 HA ILE 26 HA ILE 26 6.170 -5.487 8.303 176 HB ILE 26 HB ILE 26 4.882 -6.328 10.027 177 1HG1 ILE 26 1HG1 ILE 26 2.367 -6.041 8.360 178 2HG1 ILE 26 2HG1 ILE 26 3.268 -7.534 8.536 179 1HG2 ILE 26 1HG2 ILE 26 3.678 -4.487 10.869 180 2HG2 ILE 26 2HG2 ILE 26 4.916 -3.793 9.795 181 3HG2 ILE 26 3HG2 ILE 26 3.230 -3.926 9.241 182 1HD1 ILE 26 1HD1 ILE 26 2.853 -7.625 10.915 183 2HD1 ILE 26 2HD1 ILE 26 2.226 -5.959 10.929 184 3HD1 ILE 26 3HD1 ILE 26 1.297 -7.254 10.136 185 H GLY 27 H GLY 27 6.314 -7.944 8.575 186 1HA GLY 27 1HA GLY 27 5.712 -10.082 7.736 187 2HA GLY 27 2HA GLY 27 5.153 -9.339 6.251 188 H GLY 28 H GLY 28 6.629 -11.095 5.320 189 1HA GLY 28 1HA GLY 28 8.454 -11.069 3.851 190 2HA GLY 28 2HA GLY 28 9.281 -9.914 4.877 191 H ARG 29 H ARG 29 9.589 -10.819 7.304 192 HA ARG 29 HA ARG 29 10.567 -12.233 8.612 193 1HB ARG 29 1HB ARG 29 8.926 -14.027 6.909 194 2HB ARG 29 2HB ARG 29 10.306 -14.838 7.623 195 1HG ARG 29 1HG ARG 29 9.495 -14.637 9.777 196 2HG ARG 29 2HG ARG 29 8.791 -13.059 9.483 197 1HD ARG 29 1HD ARG 29 6.746 -13.974 9.093 198 2HD ARG 29 2HD ARG 29 7.399 -15.038 7.863 199 HE ARG 29 HE ARG 29 7.284 -16.767 9.416 200 1HH1 ARG 29 1HH1 ARG 29 7.637 -13.734 11.165 201 2HH1 ARG 29 2HH1 ARG 29 7.546 -14.476 12.727 202 1HH2 ARG 29 1HH2 ARG 29 7.163 -17.747 11.476 203 2HH2 ARG 29 2HH2 ARG 29 7.274 -16.774 12.905 204 HA PRO 30 HA PRO 30 14.420 -13.249 6.836 205 1HB PRO 30 1HB PRO 30 15.456 -15.154 8.499 206 2HB PRO 30 2HB PRO 30 15.456 -13.444 8.883 207 1HG PRO 30 1HG PRO 30 13.738 -15.589 9.973 208 2HG PRO 30 2HG PRO 30 14.049 -13.993 10.626 209 1HD PRO 30 1HD PRO 30 11.688 -14.849 9.242 210 2HD PRO 30 2HD PRO 30 12.048 -13.225 9.793 211 H SER 31 H SER 31 13.094 -16.370 7.854 212 HA SER 31 HA SER 31 12.848 -18.239 6.782 213 1HB SER 31 1HB SER 31 12.951 -16.583 4.221 214 2HB SER 31 2HB SER 31 12.344 -18.222 4.348 215 HG SER 31 HG SER 31 11.225 -16.228 6.066 216 H VAL 32 H VAL 32 14.013 -19.909 5.420 217 HA VAL 32 HA VAL 32 16.794 -19.084 4.941 218 HB VAL 32 HB VAL 32 15.692 -21.604 6.190 219 1HG1 VAL 32 1HG1 VAL 32 17.369 -22.582 4.985 220 2HG1 VAL 32 2HG1 VAL 32 18.304 -21.074 4.845 221 3HG1 VAL 32 3HG1 VAL 32 18.332 -22.001 6.364 222 1HG2 VAL 32 1HG2 VAL 32 16.701 -19.145 7.256 223 2HG2 VAL 32 2HG2 VAL 32 16.140 -20.594 8.125 224 3HG2 VAL 32 3HG2 VAL 32 17.849 -20.447 7.650 225 H ASP 33 H ASP 33 14.510 -21.841 4.280 226 HA ASP 33 HA ASP 33 15.724 -22.115 1.700 227 1HB ASP 33 1HB ASP 33 14.633 -23.907 3.457 228 2HB ASP 33 2HB ASP 33 13.243 -23.637 2.425 229 H ASN 34 H ASN 34 14.173 -22.329 -0.277 230 HA ASN 34 HA ASN 34 12.367 -20.098 -0.174 231 1HB ASN 34 1HB ASN 34 14.106 -21.105 -2.119 232 2HB ASN 34 2HB ASN 34 12.550 -21.660 -2.702 233 1HD2 ASN 34 1HD2 ASN 34 14.566 -19.496 -3.460 234 2HD2 ASN 34 2HD2 ASN 34 13.620 -18.066 -3.704 235 H HIS 35 H HIS 35 12.392 -23.570 -1.297 236 HA HIS 35 HA HIS 35 10.848 -25.135 -1.271 237 1HB HIS 35 1HB HIS 35 9.973 -23.373 0.861 238 2HB HIS 35 2HB HIS 35 8.594 -24.105 0.064 239 HD1 HIS 35 HD1 HIS 35 10.489 -24.704 2.903 240 HD2 HIS 35 HD2 HIS 35 9.457 -27.151 -0.344 241 HE1 HIS 35 HE1 HIS 35 10.727 -27.111 3.718 242 H ASP 36 H ASP 36 8.671 -25.694 -2.252 243 HA ASP 36 HA ASP 36 8.375 -24.635 -4.667 244 1HB ASP 36 1HB ASP 36 5.967 -25.448 -4.563 245 2HB ASP 36 2HB ASP 36 7.163 -26.627 -4.064 246 H GLY 37 H GLY 37 6.765 -23.100 -5.638 247 1HA GLY 37 1HA GLY 37 6.372 -20.770 -3.953 248 2HA GLY 37 2HA GLY 37 6.122 -20.900 -5.682 249 H SER 38 H SER 38 4.665 -21.176 -2.497 250 HA SER 38 HA SER 38 2.099 -21.023 -3.661 251 1HB SER 38 1HB SER 38 3.066 -23.642 -3.215 252 2HB SER 38 2HB SER 38 2.004 -23.329 -1.856 253 HG SER 38 HG SER 38 0.709 -24.159 -3.506 254 H SER 39 H SER 39 1.836 -19.145 -2.390 255 HA SER 39 HA SER 39 1.334 -17.964 -0.641 256 1HB SER 39 1HB SER 39 1.010 -20.620 0.825 257 2HB SER 39 2HB SER 39 0.441 -19.071 1.414 258 HG SER 39 HG SER 39 -0.912 -18.929 -0.535 259 H SER 40 H SER 40 2.679 -16.749 0.673 260 HA SER 40 HA SER 40 4.459 -17.976 2.465 261 1HB SER 40 1HB SER 40 5.491 -17.108 -0.214 262 2HB SER 40 2HB SER 40 6.468 -16.679 1.176 263 HG SER 40 HG SER 40 6.269 -19.086 -0.065 264 H GLU 41 H GLU 41 4.549 -16.543 4.159 265 HA GLU 41 HA GLU 41 4.094 -14.709 5.277 266 1HB GLU 41 1HB GLU 41 5.674 -12.887 4.883 267 2HB GLU 41 2HB GLU 41 6.481 -14.418 4.609 268 1HG GLU 41 1HG GLU 41 5.163 -13.030 2.266 269 2HG GLU 41 2HG GLU 41 6.702 -12.424 2.847 270 H GLY 42 H GLY 42 4.023 -11.916 4.532 271 1HA GLY 42 1HA GLY 42 2.256 -11.495 2.337 272 2HA GLY 42 2HA GLY 42 1.373 -11.574 3.848 273 H ILE 43 H ILE 43 1.860 -9.247 2.011 274 HA ILE 43 HA ILE 43 3.510 -7.557 3.733 275 HB ILE 43 HB ILE 43 2.403 -7.033 0.973 276 1HG1 ILE 43 1HG1 ILE 43 3.923 -8.772 0.640 277 2HG1 ILE 43 2HG1 ILE 43 4.867 -7.327 0.337 278 1HG2 ILE 43 1HG2 ILE 43 3.833 -5.381 2.942 279 2HG2 ILE 43 2HG2 ILE 43 4.556 -5.383 1.316 280 3HG2 ILE 43 3HG2 ILE 43 2.854 -4.911 1.532 281 1HD1 ILE 43 1HD1 ILE 43 5.403 -7.516 2.953 282 2HD1 ILE 43 2HD1 ILE 43 4.990 -9.224 2.673 283 3HD1 ILE 43 3HD1 ILE 43 6.316 -8.468 1.758 284 H PHE 44 H PHE 44 2.588 -6.179 5.157 285 HA PHE 44 HA PHE 44 -0.128 -5.282 4.593 286 1HB PHE 44 1HB PHE 44 0.983 -6.657 7.107 287 2HB PHE 44 2HB PHE 44 -0.507 -5.735 7.146 288 HD1 PHE 44 HD1 PHE 44 -2.533 -6.752 6.587 289 HD2 PHE 44 HD2 PHE 44 1.100 -8.632 5.459 290 HE1 PHE 44 HE1 PHE 44 -3.811 -8.787 5.861 291 HE2 PHE 44 HE2 PHE 44 -0.178 -10.667 4.733 292 HZ PHE 44 HZ PHE 44 -2.619 -10.720 4.943 293 H VAL 45 H VAL 45 -0.760 -3.391 5.989 294 HA VAL 45 HA VAL 45 1.632 -1.793 6.529 295 HB VAL 45 HB VAL 45 -1.247 -1.021 6.012 296 1HG1 VAL 45 1HG1 VAL 45 -0.093 1.301 5.731 297 2HG1 VAL 45 2HG1 VAL 45 -0.479 0.709 7.364 298 3HG1 VAL 45 3HG1 VAL 45 1.187 0.595 6.746 299 1HG2 VAL 45 1HG2 VAL 45 -0.605 -0.381 3.843 300 2HG2 VAL 45 2HG2 VAL 45 1.129 -0.437 4.239 301 3HG2 VAL 45 3HG2 VAL 45 0.201 -1.948 4.092 302 H SER 46 H SER 46 2.215 -1.390 8.598 303 HA SER 46 HA SER 46 0.126 -1.778 10.598 304 1HB SER 46 1HB SER 46 1.891 -3.539 10.665 305 2HB SER 46 2HB SER 46 3.120 -2.306 10.862 306 HG SER 46 HG SER 46 2.694 -2.950 12.940 307 H LYS 47 H LYS 47 2.028 0.470 8.986 308 HA LYS 47 HA LYS 47 1.622 2.401 11.103 309 1HB LYS 47 1HB LYS 47 3.805 1.708 11.721 310 2HB LYS 47 2HB LYS 47 4.355 1.648 10.058 311 1HG LYS 47 1HG LYS 47 5.246 3.691 10.903 312 2HG LYS 47 2HG LYS 47 3.865 4.183 9.942 313 1HD LYS 47 1HD LYS 47 2.694 4.934 11.767 314 2HD LYS 47 2HD LYS 47 3.174 3.575 12.763 315 1HE LYS 47 1HE LYS 47 4.915 6.000 12.103 316 2HE LYS 47 2HE LYS 47 4.121 5.701 13.636 317 1HZ LYS 47 1HZ LYS 47 5.454 3.451 13.336 318 2HZ LYS 47 2HZ LYS 47 6.461 4.453 12.530 319 3HZ LYS 47 3HZ LYS 47 6.080 4.759 14.089 320 H ILE 48 H ILE 48 1.350 4.522 10.306 321 HA ILE 48 HA ILE 48 1.769 4.918 7.461 322 HB ILE 48 HB ILE 48 -0.913 4.856 8.802 323 1HG1 ILE 48 1HG1 ILE 48 0.216 3.744 6.221 324 2HG1 ILE 48 2HG1 ILE 48 -0.272 2.846 7.644 325 1HG2 ILE 48 1HG2 ILE 48 -1.504 6.778 7.853 326 2HG2 ILE 48 2HG2 ILE 48 0.026 6.888 6.949 327 3HG2 ILE 48 3HG2 ILE 48 -1.338 5.959 6.281 328 1HD1 ILE 48 1HD1 ILE 48 -1.984 4.192 5.564 329 2HD1 ILE 48 2HD1 ILE 48 -2.181 2.599 6.334 330 3HD1 ILE 48 3HD1 ILE 48 -2.611 4.079 7.225 331 H VAL 49 H VAL 49 2.681 6.880 7.152 332 HA VAL 49 HA VAL 49 2.881 8.638 9.413 333 HB VAL 49 HB VAL 49 3.888 8.880 6.571 334 1HG1 VAL 49 1HG1 VAL 49 5.588 10.301 8.250 335 2HG1 VAL 49 2HG1 VAL 49 4.364 10.990 7.156 336 3HG1 VAL 49 3HG1 VAL 49 3.964 10.692 8.864 337 1HG2 VAL 49 1HG2 VAL 49 5.531 7.458 7.079 338 2HG2 VAL 49 2HG2 VAL 49 5.911 8.347 8.574 339 3HG2 VAL 49 3HG2 VAL 49 4.664 7.076 8.586 340 H ASP 50 H ASP 50 1.520 10.281 9.892 341 HA ASP 50 HA ASP 50 -0.770 10.709 8.468 342 1HB ASP 50 1HB ASP 50 0.417 11.668 10.836 343 2HB ASP 50 2HB ASP 50 0.194 13.117 9.876 344 H SER 51 H SER 51 2.035 13.023 8.839 345 HA SER 51 HA SER 51 1.242 14.732 6.855 346 1HB SER 51 1HB SER 51 3.252 14.705 8.684 347 2HB SER 51 2HB SER 51 4.185 14.317 7.252 348 HG SER 51 HG SER 51 3.440 16.249 6.243 349 H GLY 52 H GLY 52 2.530 11.513 6.642 350 1HA GLY 52 1HA GLY 52 3.989 11.555 4.282 351 2HA GLY 52 2HA GLY 52 3.069 10.198 4.902 352 HA PRO 53 HA PRO 53 1.007 12.194 1.195 353 1HB PRO 53 1HB PRO 53 2.249 11.064 -0.962 354 2HB PRO 53 2HB PRO 53 2.627 12.670 -0.371 355 1HG PRO 53 1HG PRO 53 4.182 10.174 -0.076 356 2HG PRO 53 2HG PRO 53 4.718 11.831 0.120 357 1HD PRO 53 1HD PRO 53 4.134 9.957 2.211 358 2HD PRO 53 2HD PRO 53 4.557 11.646 2.406 359 H ALA 54 H ALA 54 1.598 9.268 2.531 360 HA ALA 54 HA ALA 54 -0.166 7.837 0.721 361 1HB ALA 54 1HB ALA 54 0.395 5.923 2.263 362 2HB ALA 54 2HB ALA 54 1.812 6.671 1.488 363 3HB ALA 54 3HB ALA 54 1.429 7.039 3.186 364 H ALA 55 H ALA 55 -0.108 9.435 3.899 365 HA ALA 55 HA ALA 55 -2.731 8.359 4.542 366 1HB ALA 55 1HB ALA 55 -2.357 9.529 6.692 367 2HB ALA 55 2HB ALA 55 -0.999 8.453 6.288 368 3HB ALA 55 3HB ALA 55 -0.842 10.210 6.052 369 H LYS 56 H LYS 56 -1.073 11.403 3.598 370 HA LYS 56 HA LYS 56 -3.130 13.171 4.034 371 1HB LYS 56 1HB LYS 56 -0.701 13.056 2.357 372 2HB LYS 56 2HB LYS 56 -1.936 14.154 1.776 373 1HG LYS 56 1HG LYS 56 -1.583 14.342 4.697 374 2HG LYS 56 2HG LYS 56 -0.091 14.666 3.836 375 1HD LYS 56 1HD LYS 56 -1.828 16.123 2.301 376 2HD LYS 56 2HD LYS 56 -2.657 16.212 3.842 377 1HE LYS 56 1HE LYS 56 0.311 16.716 3.859 378 2HE LYS 56 2HE LYS 56 -0.700 17.953 3.141 379 1HZ LYS 56 1HZ LYS 56 -2.035 17.430 5.362 380 2HZ LYS 56 2HZ LYS 56 -0.516 17.129 5.881 381 3HZ LYS 56 3HZ LYS 56 -0.890 18.590 5.254 382 H GLU 57 H GLU 57 -2.338 12.229 0.649 383 HA GLU 57 HA GLU 57 -5.207 12.133 0.200 384 1HB GLU 57 1HB GLU 57 -2.879 12.522 -1.731 385 2HB GLU 57 2HB GLU 57 -4.554 12.404 -2.234 386 1HG GLU 57 1HG GLU 57 -3.944 14.390 -0.064 387 2HG GLU 57 2HG GLU 57 -3.345 14.774 -1.665 388 H GLY 58 H GLY 58 -2.228 10.242 0.173 389 1HA GLY 58 1HA GLY 58 -2.463 8.213 -1.490 390 2HA GLY 58 2HA GLY 58 -2.075 7.959 0.200 391 H GLY 59 H GLY 59 -4.169 8.027 1.721 392 1HA GLY 59 1HA GLY 59 -6.506 7.547 1.836 393 2HA GLY 59 2HA GLY 59 -6.376 6.623 0.353 394 H LEU 60 H LEU 60 -3.573 5.695 1.607 395 HA LEU 60 HA LEU 60 -4.292 3.169 2.284 396 1HB LEU 60 1HB LEU 60 -1.993 4.316 1.894 397 2HB LEU 60 2HB LEU 60 -1.985 4.531 3.633 398 HG LEU 60 HG LEU 60 -2.010 2.174 4.026 399 1HD1 LEU 60 1HD1 LEU 60 -2.757 1.989 1.128 400 2HD1 LEU 60 2HD1 LEU 60 -1.904 0.637 1.911 401 3HD1 LEU 60 3HD1 LEU 60 -3.473 1.187 2.547 402 1HD2 LEU 60 1HD2 LEU 60 0.142 3.333 3.287 403 2HD2 LEU 60 2HD2 LEU 60 0.106 1.555 3.220 404 3HD2 LEU 60 3HD2 LEU 60 -0.084 2.505 1.727 405 H GLN 61 H GLN 61 -3.921 2.124 4.573 406 HA GLN 61 HA GLN 61 -4.680 3.759 6.752 407 1HB GLN 61 1HB GLN 61 -6.834 2.990 5.251 408 2HB GLN 61 2HB GLN 61 -6.718 1.615 6.332 409 1HG GLN 61 1HG GLN 61 -6.399 3.657 8.136 410 2HG GLN 61 2HG GLN 61 -7.401 4.464 6.946 411 1HE2 GLN 61 1HE2 GLN 61 -9.220 2.971 6.068 412 2HE2 GLN 61 2HE2 GLN 61 -10.178 2.164 7.264 413 H ILE 62 H ILE 62 -3.754 2.873 8.563 414 HA ILE 62 HA ILE 62 -2.119 0.738 8.521 415 HB ILE 62 HB ILE 62 -3.724 1.984 10.730 416 1HG1 ILE 62 1HG1 ILE 62 -0.945 2.218 9.640 417 2HG1 ILE 62 2HG1 ILE 62 -2.079 3.473 10.097 418 1HG2 ILE 62 1HG2 ILE 62 -1.612 -0.153 11.112 419 2HG2 ILE 62 2HG2 ILE 62 -2.516 0.712 12.378 420 3HG2 ILE 62 3HG2 ILE 62 -3.365 -0.410 11.288 421 1HD1 ILE 62 1HD1 ILE 62 -1.798 2.772 12.519 422 2HD1 ILE 62 2HD1 ILE 62 -0.522 1.651 11.985 423 3HD1 ILE 62 3HD1 ILE 62 -0.313 3.406 11.769 424 H HIS 63 H HIS 63 -2.218 -1.497 9.071 425 HA HIS 63 HA HIS 63 -3.095 -3.507 9.159 426 1HB HIS 63 1HB HIS 63 -5.707 -2.182 9.938 427 2HB HIS 63 2HB HIS 63 -5.309 -3.878 10.125 428 HD1 HIS 63 HD1 HIS 63 -2.519 -3.738 11.403 429 HD2 HIS 63 HD2 HIS 63 -5.708 -1.246 12.508 430 HE1 HIS 63 HE1 HIS 63 -2.014 -2.938 13.773 431 H ASP 64 H ASP 64 -2.845 -2.203 6.674 432 HA ASP 64 HA ASP 64 -5.184 -3.279 5.304 433 1HB ASP 64 1HB ASP 64 -3.570 -0.770 4.870 434 2HB ASP 64 2HB ASP 64 -4.206 -1.574 3.449 435 H ARG 65 H ARG 65 -4.659 -4.958 3.879 436 HA ARG 65 HA ARG 65 -1.878 -5.538 3.556 437 1HB ARG 65 1HB ARG 65 -3.787 -7.246 4.040 438 2HB ARG 65 2HB ARG 65 -4.222 -7.076 2.351 439 1HG ARG 65 1HG ARG 65 -1.723 -7.616 1.834 440 2HG ARG 65 2HG ARG 65 -1.611 -8.130 3.506 441 1HD ARG 65 1HD ARG 65 -3.330 -9.834 3.181 442 2HD ARG 65 2HD ARG 65 -3.726 -9.215 1.590 443 HE ARG 65 HE ARG 65 -0.976 -9.828 1.507 444 1HH1 ARG 65 1HH1 ARG 65 -3.987 -11.569 2.043 445 2HH1 ARG 65 2HH1 ARG 65 -3.381 -13.066 1.417 446 1HH2 ARG 65 1HH2 ARG 65 -0.176 -11.803 0.681 447 2HH2 ARG 65 2HH2 ARG 65 -1.199 -13.200 0.638 448 H ILE 66 H ILE 66 -0.698 -4.882 1.782 449 HA ILE 66 HA ILE 66 -2.002 -3.527 -0.347 450 HB ILE 66 HB ILE 66 0.860 -4.425 -0.365 451 1HG1 ILE 66 1HG1 ILE 66 -0.432 -2.457 1.496 452 2HG1 ILE 66 2HG1 ILE 66 0.810 -3.650 1.822 453 1HG2 ILE 66 1HG2 ILE 66 0.229 -1.672 -1.086 454 2HG2 ILE 66 2HG2 ILE 66 1.112 -2.925 -1.991 455 3HG2 ILE 66 3HG2 ILE 66 -0.665 -2.857 -2.069 456 1HD1 ILE 66 1HD1 ILE 66 2.196 -2.178 0.047 457 2HD1 ILE 66 2HD1 ILE 66 1.070 -0.916 0.600 458 3HD1 ILE 66 3HD1 ILE 66 2.127 -1.740 1.771 459 H ILE 67 H ILE 67 -2.530 -4.221 -2.395 460 HA ILE 67 HA ILE 67 -2.206 -7.099 -2.823 461 HB ILE 67 HB ILE 67 -4.042 -5.342 -4.404 462 1HG1 ILE 67 1HG1 ILE 67 -4.417 -4.778 -2.016 463 2HG1 ILE 67 2HG1 ILE 67 -5.796 -5.544 -2.780 464 1HG2 ILE 67 1HG2 ILE 67 -5.388 -7.589 -4.098 465 2HG2 ILE 67 2HG2 ILE 67 -4.094 -7.444 -5.312 466 3HG2 ILE 67 3HG2 ILE 67 -3.770 -8.250 -3.759 467 1HD1 ILE 67 1HD1 ILE 67 -5.102 -7.748 -1.810 468 2HD1 ILE 67 2HD1 ILE 67 -3.745 -6.933 -0.995 469 3HD1 ILE 67 3HD1 ILE 67 -5.421 -6.525 -0.556 470 H GLU 68 H GLU 68 -2.012 -3.902 -4.529 471 HA GLU 68 HA GLU 68 0.222 -4.992 -5.995 472 1HB GLU 68 1HB GLU 68 -2.320 -4.886 -7.172 473 2HB GLU 68 2HB GLU 68 -1.543 -3.429 -7.760 474 1HG GLU 68 1HG GLU 68 -0.388 -4.677 -9.256 475 2HG GLU 68 2HG GLU 68 0.440 -5.468 -7.930 476 H VAL 69 H VAL 69 1.593 -3.289 -6.971 477 HA VAL 69 HA VAL 69 0.934 -0.582 -6.110 478 HB VAL 69 HB VAL 69 2.458 -2.076 -4.497 479 1HG1 VAL 69 1HG1 VAL 69 4.443 -0.816 -6.421 480 2HG1 VAL 69 2HG1 VAL 69 4.838 -1.613 -4.880 481 3HG1 VAL 69 3HG1 VAL 69 4.145 -2.559 -6.219 482 1HG2 VAL 69 1HG2 VAL 69 1.751 0.548 -4.656 483 2HG2 VAL 69 2HG2 VAL 69 2.788 -0.138 -3.382 484 3HG2 VAL 69 3HG2 VAL 69 3.522 0.671 -4.788 485 H ASN 70 H ASN 70 1.053 0.654 -7.904 486 HA ASN 70 HA ASN 70 1.645 1.409 -9.848 487 1HB ASN 70 1HB ASN 70 4.028 1.154 -8.452 488 2HB ASN 70 2HB ASN 70 4.392 0.222 -9.890 489 1HD2 ASN 70 1HD2 ASN 70 4.882 3.076 -8.638 490 2HD2 ASN 70 2HD2 ASN 70 4.803 4.133 -10.007 491 H GLY 71 H GLY 71 0.761 -1.523 -9.456 492 1HA GLY 71 1HA GLY 71 0.081 -2.956 -11.163 493 2HA GLY 71 2HA GLY 71 1.413 -2.420 -12.168 494 H ARG 72 H ARG 72 2.742 -2.764 -9.115 495 HA ARG 72 HA ARG 72 3.749 -5.362 -9.863 496 1HB ARG 72 1HB ARG 72 4.882 -3.016 -8.662 497 2HB ARG 72 2HB ARG 72 4.958 -4.273 -7.444 498 1HG ARG 72 1HG ARG 72 5.743 -5.582 -9.817 499 2HG ARG 72 2HG ARG 72 6.494 -4.003 -9.939 500 1HD ARG 72 1HD ARG 72 7.543 -4.283 -7.714 501 2HD ARG 72 2HD ARG 72 6.711 -5.808 -7.481 502 HE ARG 72 HE ARG 72 8.325 -6.846 -8.809 503 1HH1 ARG 72 1HH1 ARG 72 8.332 -3.399 -9.513 504 2HH1 ARG 72 2HH1 ARG 72 9.707 -3.486 -10.563 505 1HH2 ARG 72 1HH2 ARG 72 10.139 -6.962 -10.194 506 2HH2 ARG 72 2HH2 ARG 72 10.741 -5.527 -10.953 507 H ASP 73 H ASP 73 3.116 -7.219 -8.787 508 HA ASP 73 HA ASP 73 1.178 -6.962 -6.747 509 1HB ASP 73 1HB ASP 73 1.357 -8.801 -8.545 510 2HB ASP 73 2HB ASP 73 2.672 -9.479 -7.606 511 H LEU 74 H LEU 74 1.471 -7.334 -4.487 512 HA LEU 74 HA LEU 74 4.114 -8.224 -3.625 513 1HB LEU 74 1HB LEU 74 2.812 -5.848 -2.330 514 2HB LEU 74 2HB LEU 74 4.455 -6.432 -2.162 515 HG LEU 74 HG LEU 74 3.311 -5.190 -4.679 516 1HD1 LEU 74 1HD1 LEU 74 4.755 -4.025 -2.329 517 2HD1 LEU 74 2HD1 LEU 74 5.055 -3.362 -3.953 518 3HD1 LEU 74 3HD1 LEU 74 3.405 -3.369 -3.285 519 1HD2 LEU 74 1HD2 LEU 74 6.216 -5.249 -4.377 520 2HD2 LEU 74 2HD2 LEU 74 5.489 -6.872 -4.442 521 3HD2 LEU 74 3HD2 LEU 74 5.191 -5.710 -5.757 522 H SER 75 H SER 75 1.089 -9.089 -3.833 523 HA SER 75 HA SER 75 0.171 -9.250 -1.217 524 1HB SER 75 1HB SER 75 -1.437 -9.587 -2.922 525 2HB SER 75 2HB SER 75 -0.434 -10.739 -3.781 526 HG SER 75 HG SER 75 -1.832 -12.087 -2.778 527 H ARG 76 H ARG 76 2.172 -11.438 -3.272 528 HA ARG 76 HA ARG 76 2.553 -13.080 -0.899 529 1HB ARG 76 1HB ARG 76 3.234 -14.896 -2.504 530 2HB ARG 76 2HB ARG 76 1.586 -14.359 -2.759 531 1HG ARG 76 1HG ARG 76 2.046 -13.595 -4.858 532 2HG ARG 76 2HG ARG 76 3.487 -12.752 -4.325 533 1HD ARG 76 1HD ARG 76 4.845 -14.419 -5.078 534 2HD ARG 76 2HD ARG 76 3.918 -15.648 -4.240 535 HE ARG 76 HE ARG 76 2.532 -14.661 -6.608 536 1HH1 ARG 76 1HH1 ARG 76 5.008 -16.898 -5.490 537 2HH1 ARG 76 2HH1 ARG 76 4.842 -17.960 -6.848 538 1HH2 ARG 76 1HH2 ARG 76 2.313 -16.062 -8.400 539 2HH2 ARG 76 2HH2 ARG 76 3.299 -17.482 -8.514 540 H ALA 77 H ALA 77 3.926 -10.484 -1.812 541 HA ALA 77 HA ALA 77 6.611 -11.466 -2.385 542 1HB ALA 77 1HB ALA 77 7.106 -9.115 -2.839 543 2HB ALA 77 2HB ALA 77 5.634 -9.598 -3.716 544 3HB ALA 77 3HB ALA 77 5.506 -8.633 -2.226 545 H THR 78 H THR 78 8.429 -10.303 -1.111 546 HA THR 78 HA THR 78 7.688 -10.443 1.724 547 HB THR 78 HB THR 78 9.441 -12.009 0.834 548 HG1 THR 78 HG1 THR 78 10.539 -9.792 2.404 549 1HG2 THR 78 1HG2 THR 78 11.525 -11.220 -0.015 550 2HG2 THR 78 2HG2 THR 78 10.339 -10.198 -0.861 551 3HG2 THR 78 3HG2 THR 78 11.222 -9.558 0.546 552 H HIS 79 H HIS 79 8.964 -8.955 3.211 553 HA HIS 79 HA HIS 79 8.244 -6.375 2.708 554 1HB HIS 79 1HB HIS 79 8.815 -7.317 4.914 555 2HB HIS 79 2HB HIS 79 10.507 -7.368 4.463 556 HD1 HIS 79 HD1 HIS 79 11.875 -5.241 4.753 557 HD2 HIS 79 HD2 HIS 79 7.751 -4.616 5.202 558 HE1 HIS 79 HE1 HIS 79 11.604 -2.858 5.624 559 H ASP 80 H ASP 80 11.304 -8.079 1.910 560 HA ASP 80 HA ASP 80 12.754 -5.854 1.200 561 1HB ASP 80 1HB ASP 80 12.968 -8.721 0.996 562 2HB ASP 80 2HB ASP 80 13.369 -8.057 -0.576 563 H GLN 81 H GLN 81 10.745 -8.152 -0.791 564 HA GLN 81 HA GLN 81 11.142 -6.847 -3.196 565 1HB GLN 81 1HB GLN 81 9.092 -8.788 -2.130 566 2HB GLN 81 2HB GLN 81 8.803 -8.039 -3.688 567 1HG GLN 81 1HG GLN 81 11.457 -8.781 -3.942 568 2HG GLN 81 2HG GLN 81 10.850 -10.059 -2.907 569 1HE2 GLN 81 1HE2 GLN 81 9.427 -11.546 -3.657 570 2HE2 GLN 81 2HE2 GLN 81 8.934 -11.692 -5.311 571 H ALA 82 H ALA 82 8.506 -6.565 -0.727 572 HA ALA 82 HA ALA 82 6.892 -4.793 -2.090 573 1HB ALA 82 1HB ALA 82 7.336 -4.586 0.887 574 2HB ALA 82 2HB ALA 82 5.816 -4.515 -0.036 575 3HB ALA 82 3HB ALA 82 6.645 -6.073 0.194 576 H VAL 83 H VAL 83 9.525 -4.055 0.310 577 HA VAL 83 HA VAL 83 9.402 -1.320 0.117 578 HB VAL 83 HB VAL 83 11.682 -3.226 0.633 579 1HG1 VAL 83 1HG1 VAL 83 12.955 -1.330 1.532 580 2HG1 VAL 83 2HG1 VAL 83 12.618 -1.113 -0.202 581 3HG1 VAL 83 3HG1 VAL 83 11.674 -0.211 1.008 582 1HG2 VAL 83 1HG2 VAL 83 9.526 -2.803 2.162 583 2HG2 VAL 83 2HG2 VAL 83 11.142 -3.095 2.848 584 3HG2 VAL 83 3HG2 VAL 83 10.518 -1.433 2.716 585 H GLU 84 H GLU 84 11.451 -3.617 -1.813 586 HA GLU 84 HA GLU 84 12.691 -1.759 -3.352 587 1HB GLU 84 1HB GLU 84 12.750 -4.454 -3.222 588 2HB GLU 84 2HB GLU 84 11.786 -4.301 -4.677 589 1HG GLU 84 1HG GLU 84 13.879 -4.228 -5.658 590 2HG GLU 84 2HG GLU 84 13.696 -2.516 -5.330 591 H ALA 85 H ALA 85 9.500 -3.378 -3.923 592 HA ALA 85 HA ALA 85 8.950 -2.292 -6.393 593 1HB ALA 85 1HB ALA 85 6.503 -2.546 -5.504 594 2HB ALA 85 2HB ALA 85 7.526 -3.996 -5.638 595 3HB ALA 85 3HB ALA 85 7.280 -3.224 -4.053 596 H PHE 86 H PHE 86 8.148 -0.995 -3.096 597 HA PHE 86 HA PHE 86 6.999 1.365 -4.105 598 1HB PHE 86 1HB PHE 86 8.144 0.312 -1.481 599 2HB PHE 86 2HB PHE 86 7.699 2.005 -1.573 600 HD1 PHE 86 HD1 PHE 86 5.286 2.547 -2.292 601 HD2 PHE 86 HD2 PHE 86 6.525 -1.305 -1.015 602 HE1 PHE 86 HE1 PHE 86 2.902 1.948 -1.787 603 HE2 PHE 86 HE2 PHE 86 4.141 -1.905 -0.510 604 HZ PHE 86 HZ PHE 86 2.357 -0.271 -0.902 605 H LYS 87 H LYS 87 10.321 0.331 -3.509 606 HA LYS 87 HA LYS 87 11.362 2.988 -3.341 607 1HB LYS 87 1HB LYS 87 12.604 1.377 -2.182 608 2HB LYS 87 2HB LYS 87 12.537 0.220 -3.496 609 1HG LYS 87 1HG LYS 87 14.068 1.542 -4.852 610 2HG LYS 87 2HG LYS 87 13.967 2.902 -3.752 611 1HD LYS 87 1HD LYS 87 14.950 0.205 -2.761 612 2HD LYS 87 2HD LYS 87 16.042 1.287 -3.604 613 1HE LYS 87 1HE LYS 87 14.383 2.369 -1.312 614 2HE LYS 87 2HE LYS 87 15.804 1.407 -0.953 615 1HZ LYS 87 1HZ LYS 87 16.522 3.597 -1.086 616 2HZ LYS 87 2HZ LYS 87 16.995 2.949 -2.508 617 3HZ LYS 87 3HZ LYS 87 15.684 3.920 -2.449 618 H THR 88 H THR 88 11.092 0.420 -5.866 619 HA THR 88 HA THR 88 12.265 2.210 -7.827 620 HB THR 88 HB THR 88 12.035 0.177 -9.277 621 HG1 THR 88 HG1 THR 88 10.109 -0.727 -8.423 622 1HG2 THR 88 1HG2 THR 88 13.816 0.384 -7.230 623 2HG2 THR 88 2HG2 THR 88 12.886 -1.018 -6.648 624 3HG2 THR 88 3HG2 THR 88 13.697 -1.083 -8.231 625 H ALA 89 H ALA 89 9.215 1.762 -6.415 626 HA ALA 89 HA ALA 89 7.540 1.927 -8.639 627 1HB ALA 89 1HB ALA 89 7.328 2.668 -5.715 628 2HB ALA 89 2HB ALA 89 5.994 3.017 -6.841 629 3HB ALA 89 3HB ALA 89 6.538 1.339 -6.597 630 H LYS 90 H LYS 90 6.628 3.684 -9.767 631 HA LYS 90 HA LYS 90 8.071 6.207 -9.348 632 1HB LYS 90 1HB LYS 90 7.313 4.668 -11.759 633 2HB LYS 90 2HB LYS 90 7.020 6.392 -11.862 634 1HG LYS 90 1HG LYS 90 9.675 5.168 -10.978 635 2HG LYS 90 2HG LYS 90 9.336 5.684 -12.618 636 1HD LYS 90 1HD LYS 90 8.639 7.803 -10.724 637 2HD LYS 90 2HD LYS 90 10.296 7.288 -10.477 638 1HE LYS 90 1HE LYS 90 10.727 7.575 -12.945 639 2HE LYS 90 2HE LYS 90 9.084 8.150 -13.149 640 1HZ LYS 90 1HZ LYS 90 9.714 10.128 -12.459 641 2HZ LYS 90 2HZ LYS 90 10.338 9.545 -11.067 642 3HZ LYS 90 3HZ LYS 90 11.267 9.624 -12.408 643 H GLU 91 H GLU 91 6.850 8.210 -9.583 644 HA GLU 91 HA GLU 91 4.174 7.819 -8.583 645 1HB GLU 91 1HB GLU 91 5.589 10.484 -8.928 646 2HB GLU 91 2HB GLU 91 4.287 10.087 -7.823 647 1HG GLU 91 1HG GLU 91 5.976 9.845 -6.292 648 2HG GLU 91 2HG GLU 91 6.154 8.256 -7.009 649 HA PRO 92 HA PRO 92 2.495 8.820 -8.409 650 1HB PRO 92 1HB PRO 92 -0.072 8.167 -9.081 651 2HB PRO 92 2HB PRO 92 0.462 9.816 -8.828 652 1HG PRO 92 1HG PRO 92 -0.122 8.427 -11.371 653 2HG PRO 92 2HG PRO 92 -0.006 10.148 -11.061 654 1HD PRO 92 1HD PRO 92 1.963 8.497 -12.336 655 2HD PRO 92 2HD PRO 92 2.125 10.193 -11.923 656 H ILE 93 H ILE 93 2.020 7.088 -7.006 657 HA ILE 93 HA ILE 93 2.556 4.555 -8.372 658 HB ILE 93 HB ILE 93 2.832 5.288 -5.455 659 1HG1 ILE 93 1HG1 ILE 93 5.142 4.807 -7.316 660 2HG1 ILE 93 2HG1 ILE 93 4.383 6.386 -7.270 661 1HG2 ILE 93 1HG2 ILE 93 3.801 3.186 -5.095 662 2HG2 ILE 93 2HG2 ILE 93 2.370 2.853 -6.100 663 3HG2 ILE 93 3HG2 ILE 93 3.990 2.870 -6.837 664 1HD1 ILE 93 1HD1 ILE 93 5.023 5.125 -4.621 665 2HD1 ILE 93 2HD1 ILE 93 6.391 5.706 -5.600 666 3HD1 ILE 93 3HD1 ILE 93 5.102 6.834 -5.115 667 H VAL 94 H VAL 94 0.756 3.439 -8.901 668 HA VAL 94 HA VAL 94 -1.663 3.887 -7.396 669 HB VAL 94 HB VAL 94 -1.052 2.090 -9.753 670 1HG1 VAL 94 1HG1 VAL 94 -3.493 2.065 -10.093 671 2HG1 VAL 94 2HG1 VAL 94 -3.036 1.354 -8.527 672 3HG1 VAL 94 3HG1 VAL 94 -3.709 3.001 -8.595 673 1HG2 VAL 94 1HG2 VAL 94 -1.748 4.982 -9.517 674 2HG2 VAL 94 2HG2 VAL 94 -0.748 4.136 -10.721 675 3HG2 VAL 94 3HG2 VAL 94 -2.523 4.055 -10.824 676 H VAL 95 H VAL 95 -1.968 2.858 -5.491 677 HA VAL 95 HA VAL 95 -0.950 0.105 -5.314 678 HB VAL 95 HB VAL 95 -1.468 1.661 -2.849 679 1HG1 VAL 95 1HG1 VAL 95 -0.557 -0.341 -2.268 680 2HG1 VAL 95 2HG1 VAL 95 0.313 -0.521 -3.810 681 3HG1 VAL 95 3HG1 VAL 95 0.964 0.542 -2.540 682 1HG2 VAL 95 1HG2 VAL 95 0.827 2.311 -4.724 683 2HG2 VAL 95 2HG2 VAL 95 -0.417 3.420 -4.096 684 3HG2 VAL 95 3HG2 VAL 95 0.803 2.736 -2.995 685 H GLN 96 H GLN 96 -2.296 -1.428 -4.152 686 HA GLN 96 HA GLN 96 -5.026 -0.491 -3.793 687 1HB GLN 96 1HB GLN 96 -5.164 -1.544 -5.924 688 2HB GLN 96 2HB GLN 96 -4.079 -2.840 -5.461 689 1HG GLN 96 1HG GLN 96 -5.763 -4.081 -4.540 690 2HG GLN 96 2HG GLN 96 -6.450 -2.700 -3.709 691 1HE2 GLN 96 1HE2 GLN 96 -8.294 -1.905 -4.393 692 2HE2 GLN 96 2HE2 GLN 96 -9.057 -2.206 -5.919 693 H VAL 97 H VAL 97 -6.119 -1.410 -2.022 694 HA VAL 97 HA VAL 97 -4.610 -3.455 -0.551 695 HB VAL 97 HB VAL 97 -5.470 -2.294 1.518 696 1HG1 VAL 97 1HG1 VAL 97 -3.394 -1.077 -0.307 697 2HG1 VAL 97 2HG1 VAL 97 -3.702 -0.422 1.319 698 3HG1 VAL 97 3HG1 VAL 97 -3.165 -2.108 1.126 699 1HG2 VAL 97 1HG2 VAL 97 -6.058 0.070 1.363 700 2HG2 VAL 97 2HG2 VAL 97 -5.915 0.010 -0.410 701 3HG2 VAL 97 3HG2 VAL 97 -7.196 -0.914 0.411 702 H LEU 98 H LEU 98 -6.079 -4.623 1.077 703 HA LEU 98 HA LEU 98 -8.710 -4.956 -0.186 704 1HB LEU 98 1HB LEU 98 -6.716 -6.872 0.920 705 2HB LEU 98 2HB LEU 98 -8.415 -7.252 1.121 706 HG LEU 98 HG LEU 98 -7.141 -6.642 -1.558 707 1HD1 LEU 98 1HD1 LEU 98 -6.811 -8.909 -1.965 708 2HD1 LEU 98 2HD1 LEU 98 -6.261 -8.708 -0.284 709 3HD1 LEU 98 3HD1 LEU 98 -7.863 -9.409 -0.619 710 1HD2 LEU 98 1HD2 LEU 98 -9.309 -6.385 -2.094 711 2HD2 LEU 98 2HD2 LEU 98 -9.331 -8.164 -2.070 712 3HD2 LEU 98 3HD2 LEU 98 -9.883 -7.248 -0.647 713 H ARG 99 H ARG 99 -10.370 -4.154 0.971 714 HA ARG 99 HA ARG 99 -9.982 -4.094 3.857 715 1HB ARG 99 1HB ARG 99 -11.368 -2.150 1.970 716 2HB ARG 99 2HB ARG 99 -11.794 -2.185 3.670 717 1HG ARG 99 1HG ARG 99 -9.068 -2.119 3.890 718 2HG ARG 99 2HG ARG 99 -9.255 -1.276 2.365 719 1HD ARG 99 1HD ARG 99 -11.248 -0.107 3.935 720 2HD ARG 99 2HD ARG 99 -9.973 -0.391 5.103 721 HE ARG 99 HE ARG 99 -8.589 0.712 2.996 722 1HH1 ARG 99 1HH1 ARG 99 -11.484 1.707 4.732 723 2HH1 ARG 99 2HH1 ARG 99 -11.216 3.398 4.466 724 1HH2 ARG 99 1HH2 ARG 99 -8.236 2.942 2.645 725 2HH2 ARG 99 2HH2 ARG 99 -9.356 4.105 3.271 726 H ARG 100 H ARG 100 -11.656 -4.951 5.159 727 HA ARG 100 HA ARG 100 -13.159 -6.930 4.317 728 1HB ARG 100 1HB ARG 100 -14.119 -4.873 6.371 729 2HB ARG 100 2HB ARG 100 -14.635 -6.546 6.284 730 1HG ARG 100 1HG ARG 100 -12.899 -7.111 7.626 731 2HG ARG 100 2HG ARG 100 -11.796 -6.655 6.343 732 1HD ARG 100 1HD ARG 100 -12.960 -4.515 8.154 733 2HD ARG 100 2HD ARG 100 -11.606 -5.480 8.708 734 HE ARG 100 HE ARG 100 -11.537 -3.408 6.657 735 1HH1 ARG 100 1HH1 ARG 100 -9.978 -6.360 7.770 736 2HH1 ARG 100 2HH1 ARG 100 -8.458 -5.988 7.029 737 1HH2 ARG 100 1HH2 ARG 100 -9.531 -2.917 5.679 738 2HH2 ARG 100 2HH2 ARG 100 -8.201 -4.017 5.831 739 H THR 101 H THR 101 -15.429 -7.261 3.682 740 HA THR 101 HA THR 101 -16.317 -5.577 1.677 741 HB THR 101 HB THR 101 -16.928 -7.997 2.037 742 HG1 THR 101 HG1 THR 101 -18.246 -6.370 0.795 743 1HG2 THR 101 1HG2 THR 101 -18.601 -8.628 3.642 744 2HG2 THR 101 2HG2 THR 101 -17.447 -7.644 4.573 745 3HG2 THR 101 3HG2 THR 101 -18.983 -6.932 4.024 746 H SER 102 H SER 102 -17.417 -5.754 5.122 747 HA SER 102 HA SER 102 -18.227 -4.181 6.403 748 1HB SER 102 1HB SER 102 -16.770 -2.629 4.752 749 2HB SER 102 2HB SER 102 -18.357 -2.063 4.270 750 HG SER 102 HG SER 102 -17.424 -0.817 6.041 751 H GLY 103 H GLY 103 -20.346 -4.587 6.911 752 1HA GLY 103 1HA GLY 103 -22.403 -3.786 4.972 753 2HA GLY 103 2HA GLY 103 -22.391 -5.435 5.564 754 HA PRO 104 HA PRO 104 -24.732 -2.886 8.543 755 1HB PRO 104 1HB PRO 104 -27.155 -4.132 8.326 756 2HB PRO 104 2HB PRO 104 -26.744 -2.675 7.442 757 1HG PRO 104 1HG PRO 104 -26.925 -5.455 6.453 758 2HG PRO 104 2HG PRO 104 -26.939 -3.961 5.537 759 1HD PRO 104 1HD PRO 104 -24.740 -5.781 5.817 760 2HD PRO 104 2HD PRO 104 -24.720 -4.232 4.999 761 H SER 105 H SER 105 -25.244 -3.293 10.715 762 HA SER 105 HA SER 105 -25.709 -5.842 11.621 763 1HB SER 105 1HB SER 105 -22.876 -5.282 11.099 764 2HB SER 105 2HB SER 105 -23.147 -5.664 12.788 765 HG SER 105 HG SER 105 -24.031 -7.273 10.543 766 H SER 106 H SER 106 -25.809 -5.894 14.023 767 HA SER 106 HA SER 106 -26.238 -5.017 15.960 768 1HB SER 106 1HB SER 106 -23.771 -3.814 15.179 769 2HB SER 106 2HB SER 106 -24.720 -2.537 15.915 770 HG SER 106 HG SER 106 -24.897 -3.727 17.834 771 H GLY 107 H GLY 107 -27.266 -3.045 17.122 772 1HA GLY 107 1HA GLY 107 -28.597 -1.200 17.143 773 2HA GLY 107 2HA GLY 107 -28.278 -0.935 15.440 Start of MODEL 6 1 1H GLY 1 1H GLY 1 -18.062 -16.936 16.485 2 1HA GLY 1 1HA GLY 1 -17.558 -14.653 15.884 3 2HA GLY 1 2HA GLY 1 -15.875 -15.105 15.705 4 H SER 2 H SER 2 -16.524 -13.947 13.515 5 HA SER 2 HA SER 2 -17.001 -16.117 11.668 6 1HB SER 2 1HB SER 2 -18.623 -13.558 11.822 7 2HB SER 2 2HB SER 2 -18.439 -14.402 10.297 8 HG SER 2 HG SER 2 -19.089 -16.287 12.095 9 H SER 3 H SER 3 -16.165 -15.618 9.463 10 HA SER 3 HA SER 3 -14.118 -13.555 9.644 11 1HB SER 3 1HB SER 3 -13.027 -14.879 7.756 12 2HB SER 3 2HB SER 3 -13.099 -15.694 9.305 13 HG SER 3 HG SER 3 -14.045 -16.578 6.961 14 H GLY 4 H GLY 4 -13.615 -12.370 7.559 15 1HA GLY 4 1HA GLY 4 -15.799 -11.099 6.488 16 2HA GLY 4 2HA GLY 4 -14.218 -11.194 5.738 17 H SER 5 H SER 5 -16.513 -11.087 4.140 18 HA SER 5 HA SER 5 -16.474 -13.785 3.051 19 1HB SER 5 1HB SER 5 -18.769 -12.324 4.075 20 2HB SER 5 2HB SER 5 -18.977 -12.602 2.358 21 HG SER 5 HG SER 5 -19.191 -14.385 4.434 22 H SER 6 H SER 6 -14.925 -13.166 1.454 23 HA SER 6 HA SER 6 -14.231 -12.385 -0.447 24 1HB SER 6 1HB SER 6 -17.204 -12.104 -0.782 25 2HB SER 6 2HB SER 6 -16.191 -11.295 -1.961 26 HG SER 6 HG SER 6 -16.230 -13.242 -2.893 27 H GLY 7 H GLY 7 -13.020 -10.732 0.763 28 1HA GLY 7 1HA GLY 7 -14.046 -8.214 1.434 29 2HA GLY 7 2HA GLY 7 -12.359 -8.630 1.201 30 H LYS 8 H LYS 8 -12.994 -6.126 0.427 31 HA LYS 8 HA LYS 8 -13.382 -6.318 -2.477 32 1HB LYS 8 1HB LYS 8 -14.292 -4.377 -0.422 33 2HB LYS 8 2HB LYS 8 -13.739 -3.686 -1.934 34 1HG LYS 8 1HG LYS 8 -15.975 -4.087 -2.461 35 2HG LYS 8 2HG LYS 8 -15.253 -5.578 -3.031 36 1HD LYS 8 1HD LYS 8 -16.654 -6.707 -1.651 37 2HD LYS 8 2HD LYS 8 -15.753 -6.061 -0.294 38 1HE LYS 8 1HE LYS 8 -17.242 -4.128 -0.127 39 2HE LYS 8 2HE LYS 8 -18.041 -4.545 -1.630 40 1HZ LYS 8 1HZ LYS 8 -18.007 -6.459 0.569 41 2HZ LYS 8 2HZ LYS 8 -19.092 -5.239 0.568 42 3HZ LYS 8 3HZ LYS 8 -19.080 -6.322 -0.654 43 H SER 9 H SER 9 -12.232 -4.173 -3.506 44 HA SER 9 HA SER 9 -9.615 -3.944 -2.280 45 1HB SER 9 1HB SER 9 -8.429 -4.755 -4.085 46 2HB SER 9 2HB SER 9 -9.871 -5.735 -4.257 47 HG SER 9 HG SER 9 -10.653 -3.842 -5.674 48 H LEU 10 H LEU 10 -9.053 -1.797 -2.172 49 HA LEU 10 HA LEU 10 -10.414 0.004 -4.052 50 1HB LEU 10 1HB LEU 10 -9.274 0.970 -1.474 51 2HB LEU 10 2HB LEU 10 -10.621 1.585 -2.411 52 HG LEU 10 HG LEU 10 -11.656 0.716 -0.535 53 1HD1 LEU 10 1HD1 LEU 10 -12.224 -0.436 -2.924 54 2HD1 LEU 10 2HD1 LEU 10 -11.904 -1.877 -1.928 55 3HD1 LEU 10 3HD1 LEU 10 -13.150 -0.707 -1.428 56 1HD2 LEU 10 1HD2 LEU 10 -10.832 -1.923 -0.108 57 2HD2 LEU 10 2HD2 LEU 10 -9.334 -1.011 -0.414 58 3HD2 LEU 10 3HD2 LEU 10 -10.442 -0.493 0.879 59 H THR 11 H THR 11 -9.152 1.912 -4.764 60 HA THR 11 HA THR 11 -6.308 1.189 -4.981 61 HB THR 11 HB THR 11 -7.754 3.132 -6.804 62 HG1 THR 11 HG1 THR 11 -9.147 1.322 -6.833 63 1HG2 THR 11 1HG2 THR 11 -5.592 0.989 -7.139 64 2HG2 THR 11 2HG2 THR 11 -6.334 1.859 -8.503 65 3HG2 THR 11 3HG2 THR 11 -5.381 2.750 -7.292 66 H LEU 12 H LEU 12 -4.692 2.631 -4.473 67 HA LEU 12 HA LEU 12 -5.538 5.273 -3.577 68 1HB LEU 12 1HB LEU 12 -3.610 4.336 -1.723 69 2HB LEU 12 2HB LEU 12 -5.249 4.886 -1.434 70 HG LEU 12 HG LEU 12 -5.742 2.347 -2.273 71 1HD1 LEU 12 1HD1 LEU 12 -3.834 1.254 -0.587 72 2HD1 LEU 12 2HD1 LEU 12 -3.862 1.155 -2.365 73 3HD1 LEU 12 3HD1 LEU 12 -2.916 2.429 -1.559 74 1HD2 LEU 12 1HD2 LEU 12 -5.978 3.831 0.075 75 2HD2 LEU 12 2HD2 LEU 12 -6.708 2.246 -0.273 76 3HD2 LEU 12 3HD2 LEU 12 -5.142 2.339 0.568 77 H VAL 13 H VAL 13 -4.082 6.869 -4.106 78 HA VAL 13 HA VAL 13 -1.721 5.932 -5.552 79 HB VAL 13 HB VAL 13 -3.342 8.471 -5.565 80 1HG1 VAL 13 1HG1 VAL 13 -0.499 8.171 -6.121 81 2HG1 VAL 13 2HG1 VAL 13 -1.396 8.728 -7.554 82 3HG1 VAL 13 3HG1 VAL 13 -1.496 9.643 -6.031 83 1HG2 VAL 13 1HG2 VAL 13 -4.300 6.834 -6.976 84 2HG2 VAL 13 2HG2 VAL 13 -3.370 7.898 -8.059 85 3HG2 VAL 13 3HG2 VAL 13 -2.713 6.311 -7.589 86 H LEU 14 H LEU 14 0.182 5.912 -4.485 87 HA LEU 14 HA LEU 14 0.451 7.779 -2.236 88 1HB LEU 14 1HB LEU 14 2.012 5.243 -2.713 89 2HB LEU 14 2HB LEU 14 1.996 6.237 -1.270 90 HG LEU 14 HG LEU 14 -0.319 4.590 -2.326 91 1HD1 LEU 14 1HD1 LEU 14 1.738 3.453 -1.234 92 2HD1 LEU 14 2HD1 LEU 14 1.108 4.139 0.283 93 3HD1 LEU 14 3HD1 LEU 14 0.105 3.020 -0.672 94 1HD2 LEU 14 1HD2 LEU 14 -0.242 6.012 0.332 95 2HD2 LEU 14 2HD2 LEU 14 -0.879 6.790 -1.136 96 3HD2 LEU 14 3HD2 LEU 14 -1.631 5.299 -0.522 97 H HIS 15 H HIS 15 2.553 8.831 -1.941 98 HA HIS 15 HA HIS 15 4.068 8.964 -4.442 99 1HB HIS 15 1HB HIS 15 2.993 11.233 -2.767 100 2HB HIS 15 2HB HIS 15 4.383 11.448 -3.811 101 HD1 HIS 15 HD1 HIS 15 3.951 11.808 -6.290 102 HD2 HIS 15 HD2 HIS 15 0.542 10.538 -4.202 103 HE1 HIS 15 HE1 HIS 15 1.998 12.015 -7.918 104 H ARG 16 H ARG 16 6.225 10.382 -3.842 105 HA ARG 16 HA ARG 16 7.203 9.129 -1.402 106 1HB ARG 16 1HB ARG 16 8.617 9.678 -4.053 107 2HB ARG 16 2HB ARG 16 9.498 9.269 -2.595 108 1HG ARG 16 1HG ARG 16 7.490 7.312 -2.691 109 2HG ARG 16 2HG ARG 16 7.915 7.526 -4.378 110 1HD ARG 16 1HD ARG 16 9.432 5.857 -3.611 111 2HD ARG 16 2HD ARG 16 10.392 7.323 -3.626 112 HE ARG 16 HE ARG 16 9.307 7.268 -1.062 113 1HH1 ARG 16 1HH1 ARG 16 11.237 5.040 -2.985 114 2HH1 ARG 16 2HH1 ARG 16 12.014 4.327 -1.611 115 1HH2 ARG 16 1HH2 ARG 16 10.333 6.328 0.750 116 2HH2 ARG 16 2HH2 ARG 16 11.496 5.064 0.528 117 H ASP 17 H ASP 17 7.079 10.840 0.078 118 HA ASP 17 HA ASP 17 7.808 13.462 -0.801 119 1HB ASP 17 1HB ASP 17 6.027 13.507 0.740 120 2HB ASP 17 2HB ASP 17 6.703 12.220 1.718 121 H SER 18 H SER 18 10.124 13.030 -1.281 122 HA SER 18 HA SER 18 12.244 13.059 -0.823 123 1HB SER 18 1HB SER 18 11.064 14.161 1.665 124 2HB SER 18 2HB SER 18 12.666 13.487 1.887 125 HG SER 18 HG SER 18 11.866 15.569 0.047 126 H GLY 19 H GLY 19 11.723 10.610 -1.242 127 1HA GLY 19 1HA GLY 19 12.123 8.447 -0.781 128 2HA GLY 19 2HA GLY 19 13.363 9.022 0.316 129 H SER 20 H SER 20 9.724 9.169 0.304 130 HA SER 20 HA SER 20 9.596 7.419 2.519 131 1HB SER 20 1HB SER 20 10.257 9.830 3.406 132 2HB SER 20 2HB SER 20 8.565 10.196 3.131 133 HG SER 20 HG SER 20 8.256 8.045 4.426 134 H LEU 21 H LEU 21 7.957 6.212 1.587 135 HA LEU 21 HA LEU 21 6.018 7.234 -0.109 136 1HB LEU 21 1HB LEU 21 6.457 4.723 1.411 137 2HB LEU 21 2HB LEU 21 4.830 5.022 0.833 138 HG LEU 21 HG LEU 21 6.113 3.639 -0.723 139 1HD1 LEU 21 1HD1 LEU 21 4.947 6.246 -1.466 140 2HD1 LEU 21 2HD1 LEU 21 5.965 5.484 -2.711 141 3HD1 LEU 21 3HD1 LEU 21 4.571 4.604 -2.042 142 1HD2 LEU 21 1HD2 LEU 21 8.106 5.798 -0.404 143 2HD2 LEU 21 2HD2 LEU 21 8.322 4.065 -0.751 144 3HD2 LEU 21 3HD2 LEU 21 7.888 5.188 -2.062 145 H GLY 22 H GLY 22 6.218 7.084 3.437 146 1HA GLY 22 1HA GLY 22 4.998 8.730 4.668 147 2HA GLY 22 2HA GLY 22 3.663 8.559 3.547 148 H PHE 23 H PHE 23 5.388 5.633 4.492 149 HA PHE 23 HA PHE 23 3.827 5.064 6.781 150 1HB PHE 23 1HB PHE 23 2.271 3.509 5.787 151 2HB PHE 23 2HB PHE 23 2.250 4.868 4.681 152 HD1 PHE 23 HD1 PHE 23 2.032 1.540 4.624 153 HD2 PHE 23 HD2 PHE 23 4.539 4.557 3.004 154 HE1 PHE 23 HE1 PHE 23 2.651 0.010 2.733 155 HE2 PHE 23 HE2 PHE 23 5.158 3.027 1.113 156 HZ PHE 23 HZ PHE 23 4.207 0.772 1.000 157 H ASN 24 H ASN 24 3.824 2.266 6.720 158 HA ASN 24 HA ASN 24 6.540 1.580 5.975 159 1HB ASN 24 1HB ASN 24 5.926 2.189 8.600 160 2HB ASN 24 2HB ASN 24 5.580 0.471 8.590 161 1HD2 ASN 24 1HD2 ASN 24 7.178 -0.969 8.617 162 2HD2 ASN 24 2HD2 ASN 24 8.871 -0.610 8.558 163 H ILE 25 H ILE 25 6.775 -0.994 6.434 164 HA ILE 25 HA ILE 25 4.194 -2.300 6.014 165 HB ILE 25 HB ILE 25 5.654 -3.741 4.323 166 1HG1 ILE 25 1HG1 ILE 25 6.805 -0.954 4.002 167 2HG1 ILE 25 2HG1 ILE 25 7.674 -2.333 4.645 168 1HG2 ILE 25 1HG2 ILE 25 4.700 -2.225 2.492 169 2HG2 ILE 25 2HG2 ILE 25 3.558 -2.934 3.659 170 3HG2 ILE 25 3HG2 ILE 25 4.056 -1.233 3.822 171 1HD1 ILE 25 1HD1 ILE 25 6.450 -3.153 2.168 172 2HD1 ILE 25 2HD1 ILE 25 7.292 -1.609 1.894 173 3HD1 ILE 25 3HD1 ILE 25 8.183 -3.004 2.547 174 H ILE 26 H ILE 26 4.452 -4.763 6.267 175 HA ILE 26 HA ILE 26 6.573 -5.292 8.229 176 HB ILE 26 HB ILE 26 5.018 -6.618 9.511 177 1HG1 ILE 26 1HG1 ILE 26 3.108 -5.961 7.283 178 2HG1 ILE 26 2HG1 ILE 26 3.477 -7.514 8.006 179 1HG2 ILE 26 1HG2 ILE 26 3.651 -3.968 9.089 180 2HG2 ILE 26 2HG2 ILE 26 3.922 -4.873 10.598 181 3HG2 ILE 26 3HG2 ILE 26 5.286 -4.068 9.786 182 1HD1 ILE 26 1HD1 ILE 26 1.864 -5.238 9.225 183 2HD1 ILE 26 2HD1 ILE 26 1.315 -6.888 8.846 184 3HD1 ILE 26 3HD1 ILE 26 2.453 -6.615 10.187 185 H GLY 27 H GLY 27 6.973 -7.729 8.471 186 1HA GLY 27 1HA GLY 27 7.671 -8.792 5.976 187 2HA GLY 27 2HA GLY 27 7.658 -9.640 7.510 188 H GLY 28 H GLY 28 6.992 -11.320 5.639 189 1HA GLY 28 1HA GLY 28 4.075 -11.233 5.243 190 2HA GLY 28 2HA GLY 28 5.229 -12.185 4.328 191 H ARG 29 H ARG 29 3.286 -13.747 5.059 192 HA ARG 29 HA ARG 29 3.821 -14.753 7.708 193 1HB ARG 29 1HB ARG 29 1.544 -14.785 5.831 194 2HB ARG 29 2HB ARG 29 1.841 -16.373 6.509 195 1HG ARG 29 1HG ARG 29 1.859 -15.322 8.822 196 2HG ARG 29 2HG ARG 29 1.415 -13.794 8.089 197 1HD ARG 29 1HD ARG 29 -0.771 -14.406 8.055 198 2HD ARG 29 2HD ARG 29 -0.392 -15.812 7.081 199 HE ARG 29 HE ARG 29 0.249 -16.130 9.933 200 1HH1 ARG 29 1HH1 ARG 29 -2.206 -16.522 7.442 201 2HH1 ARG 29 2HH1 ARG 29 -3.098 -17.713 8.329 202 1HH2 ARG 29 1HH2 ARG 29 -0.927 -17.702 11.103 203 2HH2 ARG 29 2HH2 ARG 29 -2.366 -18.389 10.425 204 HA PRO 30 HA PRO 30 6.072 -18.136 6.117 205 1HB PRO 30 1HB PRO 30 5.890 -19.909 8.189 206 2HB PRO 30 2HB PRO 30 7.020 -18.571 8.170 207 1HG PRO 30 1HG PRO 30 4.505 -18.850 9.697 208 2HG PRO 30 2HG PRO 30 5.838 -17.747 9.971 209 1HD PRO 30 1HD PRO 30 3.305 -17.115 8.784 210 2HD PRO 30 2HD PRO 30 4.680 -16.042 8.953 211 H SER 31 H SER 31 5.875 -19.829 4.737 212 HA SER 31 HA SER 31 3.939 -21.758 5.116 213 1HB SER 31 1HB SER 31 2.482 -21.096 3.066 214 2HB SER 31 2HB SER 31 2.169 -20.292 4.592 215 HG SER 31 HG SER 31 3.408 -18.469 3.864 216 H VAL 32 H VAL 32 5.381 -23.303 4.372 217 HA VAL 32 HA VAL 32 6.174 -23.058 1.572 218 HB VAL 32 HB VAL 32 8.036 -22.224 2.910 219 1HG1 VAL 32 1HG1 VAL 32 8.989 -23.291 4.705 220 2HG1 VAL 32 2HG1 VAL 32 7.304 -23.833 4.894 221 3HG1 VAL 32 3HG1 VAL 32 8.506 -24.910 4.145 222 1HG2 VAL 32 1HG2 VAL 32 8.722 -23.262 0.912 223 2HG2 VAL 32 2HG2 VAL 32 9.762 -23.977 2.167 224 3HG2 VAL 32 3HG2 VAL 32 8.374 -24.893 1.533 225 H ASP 33 H ASP 33 4.129 -24.501 1.702 226 HA ASP 33 HA ASP 33 5.035 -27.145 1.450 227 1HB ASP 33 1HB ASP 33 3.634 -26.311 3.962 228 2HB ASP 33 2HB ASP 33 3.029 -27.777 3.216 229 H ASN 34 H ASN 34 4.005 -26.982 -0.626 230 HA ASN 34 HA ASN 34 1.337 -27.625 -0.738 231 1HB ASN 34 1HB ASN 34 0.496 -25.480 -1.894 232 2HB ASN 34 2HB ASN 34 0.718 -25.361 -0.160 233 1HD2 ASN 34 1HD2 ASN 34 2.431 -24.210 0.701 234 2HD2 ASN 34 2HD2 ASN 34 3.356 -23.062 -0.207 235 H HIS 35 H HIS 35 0.715 -28.030 -3.022 236 HA HIS 35 HA HIS 35 2.845 -28.687 -4.657 237 1HB HIS 35 1HB HIS 35 1.218 -29.292 -6.274 238 2HB HIS 35 2HB HIS 35 0.543 -29.659 -4.699 239 HD1 HIS 35 HD1 HIS 35 -1.611 -28.454 -4.004 240 HD2 HIS 35 HD2 HIS 35 0.016 -27.020 -7.594 241 HE1 HIS 35 HE1 HIS 35 -3.376 -26.920 -5.026 242 H ASP 36 H ASP 36 4.244 -27.397 -5.733 243 HA ASP 36 HA ASP 36 5.052 -25.751 -6.889 244 1HB ASP 36 1HB ASP 36 2.464 -26.090 -7.959 245 2HB ASP 36 2HB ASP 36 2.576 -24.363 -7.683 246 H GLY 37 H GLY 37 5.045 -23.174 -7.034 247 1HA GLY 37 1HA GLY 37 5.186 -22.057 -4.543 248 2HA GLY 37 2HA GLY 37 4.952 -21.161 -6.030 249 H SER 38 H SER 38 2.522 -21.370 -6.928 250 HA SER 38 HA SER 38 0.395 -21.000 -6.653 251 1HB SER 38 1HB SER 38 0.953 -22.775 -4.502 252 2HB SER 38 2HB SER 38 -0.025 -21.497 -3.810 253 HG SER 38 HG SER 38 -0.704 -22.986 -6.203 254 H SER 39 H SER 39 1.411 -20.289 -3.240 255 HA SER 39 HA SER 39 1.661 -17.533 -3.740 256 1HB SER 39 1HB SER 39 -0.981 -18.591 -2.869 257 2HB SER 39 2HB SER 39 -0.380 -17.257 -1.904 258 HG SER 39 HG SER 39 -1.312 -17.280 -4.546 259 H SER 40 H SER 40 2.406 -16.386 -1.792 260 HA SER 40 HA SER 40 2.450 -17.658 0.689 261 1HB SER 40 1HB SER 40 4.163 -19.045 -0.630 262 2HB SER 40 2HB SER 40 5.162 -17.607 -0.695 263 HG SER 40 HG SER 40 4.223 -18.903 1.722 264 H GLU 41 H GLU 41 3.626 -16.300 2.323 265 HA GLU 41 HA GLU 41 4.171 -14.390 3.197 266 1HB GLU 41 1HB GLU 41 5.343 -13.778 0.448 267 2HB GLU 41 2HB GLU 41 5.633 -12.807 1.878 268 1HG GLU 41 1HG GLU 41 7.060 -14.357 2.816 269 2HG GLU 41 2HG GLU 41 6.122 -15.725 2.248 270 H GLY 42 H GLY 42 3.564 -12.055 3.353 271 1HA GLY 42 1HA GLY 42 1.654 -11.104 1.362 272 2HA GLY 42 2HA GLY 42 1.022 -11.433 2.963 273 H ILE 43 H ILE 43 1.368 -8.831 1.451 274 HA ILE 43 HA ILE 43 3.245 -7.503 3.270 275 HB ILE 43 HB ILE 43 2.090 -6.518 0.660 276 1HG1 ILE 43 1HG1 ILE 43 3.465 -8.374 0.112 277 2HG1 ILE 43 2HG1 ILE 43 4.406 -6.933 -0.215 278 1HG2 ILE 43 1HG2 ILE 43 3.897 -5.341 2.718 279 2HG2 ILE 43 2HG2 ILE 43 4.261 -5.020 1.006 280 3HG2 ILE 43 3HG2 ILE 43 2.676 -4.569 1.678 281 1HD1 ILE 43 1HD1 ILE 43 4.612 -8.675 2.285 282 2HD1 ILE 43 2HD1 ILE 43 5.797 -8.584 0.960 283 3HD1 ILE 43 3HD1 ILE 43 5.532 -7.175 2.014 284 H PHE 44 H PHE 44 2.530 -5.987 4.728 285 HA PHE 44 HA PHE 44 -0.238 -5.112 4.480 286 1HB PHE 44 1HB PHE 44 1.147 -6.472 6.865 287 2HB PHE 44 2HB PHE 44 -0.369 -5.609 7.033 288 HD1 PHE 44 HD1 PHE 44 -2.421 -6.639 6.476 289 HD2 PHE 44 HD2 PHE 44 1.226 -8.511 5.381 290 HE1 PHE 44 HE1 PHE 44 -3.676 -8.724 5.859 291 HE2 PHE 44 HE2 PHE 44 -0.028 -10.595 4.764 292 HZ PHE 44 HZ PHE 44 -2.464 -10.677 5.011 293 H VAL 45 H VAL 45 -0.714 -3.323 6.155 294 HA VAL 45 HA VAL 45 1.722 -1.705 6.429 295 HB VAL 45 HB VAL 45 -1.176 -0.907 6.095 296 1HG1 VAL 45 1HG1 VAL 45 0.114 1.404 5.745 297 2HG1 VAL 45 2HG1 VAL 45 -0.442 0.861 7.347 298 3HG1 VAL 45 3HG1 VAL 45 1.259 0.639 6.873 299 1HG2 VAL 45 1HG2 VAL 45 0.887 -0.010 4.166 300 2HG2 VAL 45 2HG2 VAL 45 0.515 -1.751 4.143 301 3HG2 VAL 45 3HG2 VAL 45 -0.784 -0.559 3.893 302 H SER 46 H SER 46 2.490 -1.591 8.469 303 HA SER 46 HA SER 46 0.540 -1.974 10.596 304 1HB SER 46 1HB SER 46 2.369 -3.625 10.563 305 2HB SER 46 2HB SER 46 3.567 -2.346 10.572 306 HG SER 46 HG SER 46 1.685 -2.215 12.671 307 H LYS 47 H LYS 47 2.155 0.430 8.902 308 HA LYS 47 HA LYS 47 1.733 2.308 11.049 309 1HB LYS 47 1HB LYS 47 4.226 1.251 10.959 310 2HB LYS 47 2HB LYS 47 4.424 2.568 9.821 311 1HG LYS 47 1HG LYS 47 2.929 3.606 12.044 312 2HG LYS 47 2HG LYS 47 4.263 2.687 12.713 313 1HD LYS 47 1HD LYS 47 5.844 3.947 11.193 314 2HD LYS 47 2HD LYS 47 4.493 4.909 10.628 315 1HE LYS 47 1HE LYS 47 4.824 6.315 12.378 316 2HE LYS 47 2HE LYS 47 4.330 5.028 13.460 317 1HZ LYS 47 1HZ LYS 47 6.831 4.335 12.945 318 2HZ LYS 47 2HZ LYS 47 6.968 5.959 12.838 319 3HZ LYS 47 3HZ LYS 47 6.399 5.276 14.208 320 H ILE 48 H ILE 48 1.655 4.534 10.256 321 HA ILE 48 HA ILE 48 1.876 4.909 7.411 322 HB ILE 48 HB ILE 48 -0.778 4.826 8.816 323 1HG1 ILE 48 1HG1 ILE 48 0.348 3.599 6.290 324 2HG1 ILE 48 2HG1 ILE 48 -0.177 2.774 7.744 325 1HG2 ILE 48 1HG2 ILE 48 0.096 6.819 6.918 326 2HG2 ILE 48 2HG2 ILE 48 -1.206 5.822 6.228 327 3HG2 ILE 48 3HG2 ILE 48 -1.456 6.665 7.775 328 1HD1 ILE 48 1HD1 ILE 48 -1.824 4.002 5.552 329 2HD1 ILE 48 2HD1 ILE 48 -2.081 2.488 6.454 330 3HD1 ILE 48 3HD1 ILE 48 -2.487 4.051 7.204 331 H VAL 49 H VAL 49 2.898 6.820 7.199 332 HA VAL 49 HA VAL 49 3.128 8.572 9.410 333 HB VAL 49 HB VAL 49 3.849 8.945 6.496 334 1HG1 VAL 49 1HG1 VAL 49 4.962 10.854 7.030 335 2HG1 VAL 49 2HG1 VAL 49 3.752 10.917 8.335 336 3HG1 VAL 49 3HG1 VAL 49 5.384 10.284 8.663 337 1HG2 VAL 49 1HG2 VAL 49 5.516 7.495 6.788 338 2HG2 VAL 49 2HG2 VAL 49 6.100 8.410 8.199 339 3HG2 VAL 49 3HG2 VAL 49 4.888 7.124 8.412 340 H ASP 50 H ASP 50 1.720 10.097 10.087 341 HA ASP 50 HA ASP 50 -0.672 10.518 8.806 342 1HB ASP 50 1HB ASP 50 0.554 11.288 11.215 343 2HB ASP 50 2HB ASP 50 0.262 12.817 10.412 344 H SER 51 H SER 51 2.133 12.824 9.229 345 HA SER 51 HA SER 51 1.141 14.679 7.421 346 1HB SER 51 1HB SER 51 3.267 14.528 9.219 347 2HB SER 51 2HB SER 51 4.087 14.601 7.672 348 HG SER 51 HG SER 51 2.149 16.432 7.511 349 H GLY 52 H GLY 52 2.438 11.554 6.925 350 1HA GLY 52 1HA GLY 52 3.937 11.937 4.555 351 2HA GLY 52 2HA GLY 52 3.230 10.442 5.135 352 HA PRO 53 HA PRO 53 0.788 12.266 1.590 353 1HB PRO 53 1HB PRO 53 1.999 11.214 -0.623 354 2HB PRO 53 2HB PRO 53 2.290 12.847 -0.056 355 1HG PRO 53 1HG PRO 53 4.032 10.469 0.167 356 2HG PRO 53 2HG PRO 53 4.458 12.161 0.332 357 1HD PRO 53 1HD PRO 53 4.113 10.264 2.455 358 2HD PRO 53 2HD PRO 53 4.424 11.980 2.623 359 H ALA 54 H ALA 54 1.632 9.409 2.921 360 HA ALA 54 HA ALA 54 -0.005 7.785 1.182 361 1HB ALA 54 1HB ALA 54 0.838 5.973 2.414 362 2HB ALA 54 2HB ALA 54 2.183 7.139 2.456 363 3HB ALA 54 3HB ALA 54 1.113 6.963 3.868 364 H ALA 55 H ALA 55 -0.148 9.409 4.377 365 HA ALA 55 HA ALA 55 -2.794 8.292 4.836 366 1HB ALA 55 1HB ALA 55 -1.232 10.234 6.571 367 2HB ALA 55 2HB ALA 55 -2.546 9.134 7.056 368 3HB ALA 55 3HB ALA 55 -0.954 8.476 6.607 369 H LYS 56 H LYS 56 -1.106 11.392 4.132 370 HA LYS 56 HA LYS 56 -3.211 13.118 4.483 371 1HB LYS 56 1HB LYS 56 -0.704 13.093 2.879 372 2HB LYS 56 2HB LYS 56 -1.914 14.275 2.420 373 1HG LYS 56 1HG LYS 56 -1.093 13.921 5.328 374 2HG LYS 56 2HG LYS 56 -0.165 14.941 4.246 375 1HD LYS 56 1HD LYS 56 -1.673 16.622 4.454 376 2HD LYS 56 2HD LYS 56 -2.972 15.577 3.916 377 1HE LYS 56 1HE LYS 56 -3.805 15.785 6.029 378 2HE LYS 56 2HE LYS 56 -2.551 14.660 6.507 379 1HZ LYS 56 1HZ LYS 56 -2.511 17.575 6.672 380 2HZ LYS 56 2HZ LYS 56 -2.239 16.481 7.854 381 3HZ LYS 56 3HZ LYS 56 -1.117 16.725 6.693 382 H GLU 57 H GLU 57 -2.170 12.302 1.131 383 HA GLU 57 HA GLU 57 -4.998 12.214 0.472 384 1HB GLU 57 1HB GLU 57 -2.533 12.681 -1.259 385 2HB GLU 57 2HB GLU 57 -4.157 12.551 -1.903 386 1HG GLU 57 1HG GLU 57 -3.622 14.512 0.340 387 2HG GLU 57 2HG GLU 57 -3.132 14.932 -1.289 388 H GLY 58 H GLY 58 -2.016 10.330 0.597 389 1HA GLY 58 1HA GLY 58 -2.120 8.354 -1.140 390 2HA GLY 58 2HA GLY 58 -1.860 8.046 0.565 391 H GLY 59 H GLY 59 -4.102 8.130 1.908 392 1HA GLY 59 1HA GLY 59 -6.389 7.585 1.921 393 2HA GLY 59 2HA GLY 59 -6.230 6.835 0.345 394 H LEU 60 H LEU 60 -3.480 5.987 2.126 395 HA LEU 60 HA LEU 60 -4.322 3.303 2.355 396 1HB LEU 60 1HB LEU 60 -1.991 4.255 1.932 397 2HB LEU 60 2HB LEU 60 -1.910 4.551 3.658 398 HG LEU 60 HG LEU 60 -2.011 2.227 4.171 399 1HD1 LEU 60 1HD1 LEU 60 -2.059 0.630 2.035 400 2HD1 LEU 60 2HD1 LEU 60 -3.537 1.142 2.885 401 3HD1 LEU 60 3HD1 LEU 60 -3.040 1.968 1.389 402 1HD2 LEU 60 1HD2 LEU 60 -0.034 1.349 3.036 403 2HD2 LEU 60 2HD2 LEU 60 -0.179 2.608 1.786 404 3HD2 LEU 60 3HD2 LEU 60 0.179 3.062 3.470 405 H GLN 61 H GLN 61 -4.046 2.067 4.522 406 HA GLN 61 HA GLN 61 -4.758 3.649 6.801 407 1HB GLN 61 1HB GLN 61 -6.887 2.890 5.350 408 2HB GLN 61 2HB GLN 61 -6.652 1.384 6.213 409 1HG GLN 61 1HG GLN 61 -6.397 3.533 8.121 410 2HG GLN 61 2HG GLN 61 -7.843 3.830 7.176 411 1HE2 GLN 61 1HE2 GLN 61 -9.609 2.603 7.429 412 2HE2 GLN 61 2HE2 GLN 61 -9.766 1.282 8.539 413 H ILE 62 H ILE 62 -3.839 2.761 8.624 414 HA ILE 62 HA ILE 62 -2.059 0.714 8.494 415 HB ILE 62 HB ILE 62 -3.667 1.816 10.787 416 1HG1 ILE 62 1HG1 ILE 62 -0.970 2.356 9.583 417 2HG1 ILE 62 2HG1 ILE 62 -2.234 3.483 10.034 418 1HG2 ILE 62 1HG2 ILE 62 -2.106 0.697 12.312 419 2HG2 ILE 62 2HG2 ILE 62 -3.061 -0.473 11.369 420 3HG2 ILE 62 3HG2 ILE 62 -1.365 -0.151 10.933 421 1HD1 ILE 62 1HD1 ILE 62 -1.832 2.871 12.465 422 2HD1 ILE 62 2HD1 ILE 62 -0.440 1.902 11.928 423 3HD1 ILE 62 3HD1 ILE 62 -0.449 3.663 11.674 424 H HIS 63 H HIS 63 -2.072 -1.515 9.273 425 HA HIS 63 HA HIS 63 -2.856 -3.562 9.291 426 1HB HIS 63 1HB HIS 63 -5.498 -2.370 10.173 427 2HB HIS 63 2HB HIS 63 -4.971 -4.027 10.389 428 HD1 HIS 63 HD1 HIS 63 -2.153 -3.663 11.542 429 HD2 HIS 63 HD2 HIS 63 -5.448 -1.341 12.704 430 HE1 HIS 63 HE1 HIS 63 -1.602 -2.751 13.860 431 H ASP 64 H ASP 64 -2.701 -2.422 6.790 432 HA ASP 64 HA ASP 64 -5.114 -3.481 5.541 433 1HB ASP 64 1HB ASP 64 -3.483 -1.011 4.971 434 2HB ASP 64 2HB ASP 64 -4.181 -1.848 3.599 435 H ARG 65 H ARG 65 -4.726 -4.905 3.744 436 HA ARG 65 HA ARG 65 -1.955 -5.686 3.494 437 1HB ARG 65 1HB ARG 65 -3.896 -7.342 3.990 438 2HB ARG 65 2HB ARG 65 -4.386 -7.114 2.323 439 1HG ARG 65 1HG ARG 65 -1.949 -7.738 1.680 440 2HG ARG 65 2HG ARG 65 -1.754 -8.262 3.341 441 1HD ARG 65 1HD ARG 65 -3.076 -10.131 3.053 442 2HD ARG 65 2HD ARG 65 -4.213 -9.300 2.010 443 HE ARG 65 HE ARG 65 -1.677 -9.604 0.662 444 1HH1 ARG 65 1HH1 ARG 65 -4.528 -11.424 1.634 445 2HH1 ARG 65 2HH1 ARG 65 -4.369 -12.595 0.368 446 1HH2 ARG 65 1HH2 ARG 65 -1.466 -11.150 -1.008 447 2HH2 ARG 65 2HH2 ARG 65 -2.616 -12.438 -1.144 448 H ILE 66 H ILE 66 -0.803 -4.909 1.755 449 HA ILE 66 HA ILE 66 -2.122 -3.540 -0.348 450 HB ILE 66 HB ILE 66 0.747 -4.433 -0.357 451 1HG1 ILE 66 1HG1 ILE 66 -0.582 -2.452 1.458 452 2HG1 ILE 66 2HG1 ILE 66 0.686 -3.610 1.805 453 1HG2 ILE 66 1HG2 ILE 66 -0.659 -1.958 -1.396 454 2HG2 ILE 66 2HG2 ILE 66 1.086 -2.288 -1.502 455 3HG2 ILE 66 3HG2 ILE 66 -0.071 -3.328 -2.367 456 1HD1 ILE 66 1HD1 ILE 66 0.912 -0.961 0.340 457 2HD1 ILE 66 2HD1 ILE 66 1.814 -1.521 1.768 458 3HD1 ILE 66 3HD1 ILE 66 2.161 -2.217 0.167 459 H ILE 67 H ILE 67 -2.619 -4.183 -2.428 460 HA ILE 67 HA ILE 67 -2.314 -7.057 -2.903 461 HB ILE 67 HB ILE 67 -4.141 -5.274 -4.461 462 1HG1 ILE 67 1HG1 ILE 67 -4.474 -4.766 -2.026 463 2HG1 ILE 67 2HG1 ILE 67 -5.880 -5.408 -2.851 464 1HG2 ILE 67 1HG2 ILE 67 -5.372 -7.694 -3.878 465 2HG2 ILE 67 2HG2 ILE 67 -4.555 -7.251 -5.396 466 3HG2 ILE 67 3HG2 ILE 67 -3.663 -8.126 -4.128 467 1HD1 ILE 67 1HD1 ILE 67 -5.889 -7.341 -1.621 468 2HD1 ILE 67 2HD1 ILE 67 -4.115 -7.481 -1.648 469 3HD1 ILE 67 3HD1 ILE 67 -4.904 -6.393 -0.481 470 H GLU 68 H GLU 68 -2.052 -3.814 -4.500 471 HA GLU 68 HA GLU 68 0.146 -4.908 -6.016 472 1HB GLU 68 1HB GLU 68 -2.434 -4.589 -7.165 473 2HB GLU 68 2HB GLU 68 -1.485 -3.247 -7.772 474 1HG GLU 68 1HG GLU 68 -0.630 -4.706 -9.294 475 2HG GLU 68 2HG GLU 68 0.304 -5.382 -7.974 476 H VAL 69 H VAL 69 1.562 -3.209 -6.923 477 HA VAL 69 HA VAL 69 0.973 -0.519 -5.965 478 HB VAL 69 HB VAL 69 2.487 -2.139 -4.438 479 1HG1 VAL 69 1HG1 VAL 69 4.878 -1.518 -4.802 480 2HG1 VAL 69 2HG1 VAL 69 4.203 -2.545 -6.090 481 3HG1 VAL 69 3HG1 VAL 69 4.414 -0.798 -6.363 482 1HG2 VAL 69 1HG2 VAL 69 3.652 0.510 -4.354 483 2HG2 VAL 69 2HG2 VAL 69 1.891 0.607 -4.600 484 3HG2 VAL 69 3HG2 VAL 69 2.547 -0.281 -3.204 485 H ASN 70 H ASN 70 1.150 0.803 -7.693 486 HA ASN 70 HA ASN 70 1.791 1.642 -9.585 487 1HB ASN 70 1HB ASN 70 4.118 1.368 -8.289 488 2HB ASN 70 2HB ASN 70 4.441 0.162 -9.519 489 1HD2 ASN 70 1HD2 ASN 70 4.296 3.465 -8.736 490 2HD2 ASN 70 2HD2 ASN 70 4.662 4.147 -10.286 491 H GLY 71 H GLY 71 0.817 -1.333 -9.265 492 1HA GLY 71 1HA GLY 71 -0.040 -2.605 -11.036 493 2HA GLY 71 2HA GLY 71 1.269 -2.072 -12.071 494 H ARG 72 H ARG 72 2.706 -2.662 -9.101 495 HA ARG 72 HA ARG 72 3.610 -5.218 -10.063 496 1HB ARG 72 1HB ARG 72 4.849 -3.038 -8.749 497 2HB ARG 72 2HB ARG 72 4.791 -4.293 -7.527 498 1HG ARG 72 1HG ARG 72 5.724 -5.881 -9.386 499 2HG ARG 72 2HG ARG 72 6.100 -4.414 -10.269 500 1HD ARG 72 1HD ARG 72 7.046 -3.957 -7.622 501 2HD ARG 72 2HD ARG 72 7.509 -5.604 -7.999 502 HE ARG 72 HE ARG 72 8.735 -3.269 -9.064 503 1HH1 ARG 72 1HH1 ARG 72 7.516 -6.369 -10.198 504 2HH1 ARG 72 2HH1 ARG 72 8.609 -6.453 -11.539 505 1HH2 ARG 72 1HH2 ARG 72 10.177 -3.379 -10.833 506 2HH2 ARG 72 2HH2 ARG 72 10.133 -4.741 -11.903 507 H ASP 73 H ASP 73 2.918 -7.151 -9.175 508 HA ASP 73 HA ASP 73 0.994 -7.033 -7.105 509 1HB ASP 73 1HB ASP 73 0.634 -9.322 -7.563 510 2HB ASP 73 2HB ASP 73 1.158 -8.688 -9.111 511 H LEU 74 H LEU 74 1.485 -7.103 -4.906 512 HA LEU 74 HA LEU 74 4.049 -8.332 -4.163 513 1HB LEU 74 1HB LEU 74 2.757 -6.070 -2.661 514 2HB LEU 74 2HB LEU 74 4.391 -6.688 -2.519 515 HG LEU 74 HG LEU 74 3.296 -5.216 -4.932 516 1HD1 LEU 74 1HD1 LEU 74 4.847 -3.389 -4.147 517 2HD1 LEU 74 2HD1 LEU 74 3.397 -3.653 -3.148 518 3HD1 LEU 74 3HD1 LEU 74 4.977 -4.267 -2.604 519 1HD2 LEU 74 1HD2 LEU 74 6.149 -6.010 -4.288 520 2HD2 LEU 74 2HD2 LEU 74 5.090 -6.836 -5.456 521 3HD2 LEU 74 3HD2 LEU 74 5.575 -5.146 -5.735 522 H SER 75 H SER 75 0.726 -8.667 -4.178 523 HA SER 75 HA SER 75 -0.037 -9.221 -1.665 524 1HB SER 75 1HB SER 75 -1.329 -11.222 -2.980 525 2HB SER 75 2HB SER 75 -1.808 -9.539 -3.077 526 HG SER 75 HG SER 75 -0.362 -11.122 -4.980 527 H ARG 76 H ARG 76 2.044 -11.167 -3.832 528 HA ARG 76 HA ARG 76 2.271 -13.108 -1.676 529 1HB ARG 76 1HB ARG 76 3.142 -14.668 -3.481 530 2HB ARG 76 2HB ARG 76 1.478 -14.174 -3.718 531 1HG ARG 76 1HG ARG 76 2.059 -12.621 -5.450 532 2HG ARG 76 2HG ARG 76 3.754 -12.624 -5.006 533 1HD ARG 76 1HD ARG 76 2.309 -15.102 -6.055 534 2HD ARG 76 2HD ARG 76 3.163 -13.983 -7.098 535 HE ARG 76 HE ARG 76 4.896 -14.768 -4.944 536 1HH1 ARG 76 1HH1 ARG 76 3.452 -16.046 -7.887 537 2HH1 ARG 76 2HH1 ARG 76 4.722 -17.191 -8.165 538 1HH2 ARG 76 1HH2 ARG 76 6.572 -16.277 -5.310 539 2HH2 ARG 76 2HH2 ARG 76 6.509 -17.323 -6.689 540 H ALA 77 H ALA 77 3.669 -10.416 -2.090 541 HA ALA 77 HA ALA 77 6.414 -11.354 -2.497 542 1HB ALA 77 1HB ALA 77 5.210 -8.557 -2.441 543 2HB ALA 77 2HB ALA 77 6.922 -8.939 -2.743 544 3HB ALA 77 3HB ALA 77 5.674 -9.472 -3.895 545 H THR 78 H THR 78 8.050 -10.113 -0.997 546 HA THR 78 HA THR 78 6.956 -10.272 1.732 547 HB THR 78 HB THR 78 8.635 -12.017 1.162 548 HG1 THR 78 HG1 THR 78 9.830 -9.805 2.666 549 1HG2 THR 78 1HG2 THR 78 9.871 -10.579 -0.593 550 2HG2 THR 78 2HG2 THR 78 10.593 -9.701 0.777 551 3HG2 THR 78 3HG2 THR 78 10.915 -11.438 0.564 552 H HIS 79 H HIS 79 8.234 -8.893 3.355 553 HA HIS 79 HA HIS 79 7.786 -6.270 2.794 554 1HB HIS 79 1HB HIS 79 8.041 -7.082 5.042 555 2HB HIS 79 2HB HIS 79 9.702 -7.558 4.750 556 HD1 HIS 79 HD1 HIS 79 11.524 -5.770 4.991 557 HD2 HIS 79 HD2 HIS 79 7.632 -4.229 5.263 558 HE1 HIS 79 HE1 HIS 79 11.764 -3.359 5.793 559 H ASP 80 H ASP 80 10.835 -8.164 2.396 560 HA ASP 80 HA ASP 80 12.491 -6.107 1.768 561 1HB ASP 80 1HB ASP 80 12.377 -9.014 1.322 562 2HB ASP 80 2HB ASP 80 13.214 -8.204 0.013 563 H GLN 81 H GLN 81 10.447 -8.177 -0.427 564 HA GLN 81 HA GLN 81 11.159 -6.834 -2.753 565 1HB GLN 81 1HB GLN 81 8.928 -8.700 -1.947 566 2HB GLN 81 2HB GLN 81 8.820 -7.886 -3.495 567 1HG GLN 81 1HG GLN 81 11.453 -8.763 -3.517 568 2HG GLN 81 2HG GLN 81 10.666 -10.047 -2.621 569 1HE2 GLN 81 1HE2 GLN 81 9.336 -11.450 -3.611 570 2HE2 GLN 81 2HE2 GLN 81 8.985 -11.470 -5.308 571 H ALA 82 H ALA 82 8.285 -6.528 -0.561 572 HA ALA 82 HA ALA 82 6.862 -4.661 -1.950 573 1HB ALA 82 1HB ALA 82 7.298 -4.882 1.057 574 2HB ALA 82 2HB ALA 82 5.954 -4.024 0.267 575 3HB ALA 82 3HB ALA 82 6.102 -5.789 0.100 576 H VAL 83 H VAL 83 9.507 -4.070 0.470 577 HA VAL 83 HA VAL 83 9.491 -1.326 0.349 578 HB VAL 83 HB VAL 83 11.622 -3.383 0.864 579 1HG1 VAL 83 1HG1 VAL 83 12.712 -1.374 -0.119 580 2HG1 VAL 83 2HG1 VAL 83 11.979 -0.382 1.165 581 3HG1 VAL 83 3HG1 VAL 83 13.158 -1.650 1.582 582 1HG2 VAL 83 1HG2 VAL 83 9.873 -1.581 2.525 583 2HG2 VAL 83 2HG2 VAL 83 10.152 -3.334 2.664 584 3HG2 VAL 83 3HG2 VAL 83 11.415 -2.188 3.176 585 H GLU 84 H GLU 84 11.504 -3.632 -1.614 586 HA GLU 84 HA GLU 84 12.700 -1.707 -3.149 587 1HB GLU 84 1HB GLU 84 13.526 -3.972 -3.170 588 2HB GLU 84 2HB GLU 84 11.991 -4.608 -3.725 589 1HG GLU 84 1HG GLU 84 12.363 -3.993 -5.924 590 2HG GLU 84 2HG GLU 84 13.218 -2.527 -5.487 591 H ALA 85 H ALA 85 9.542 -3.387 -3.556 592 HA ALA 85 HA ALA 85 8.950 -2.525 -6.116 593 1HB ALA 85 1HB ALA 85 7.687 -4.241 -4.900 594 2HB ALA 85 2HB ALA 85 7.125 -3.024 -3.729 595 3HB ALA 85 3HB ALA 85 6.597 -2.935 -5.426 596 H PHE 86 H PHE 86 8.132 -0.993 -2.923 597 HA PHE 86 HA PHE 86 6.977 1.278 -4.111 598 1HB PHE 86 1HB PHE 86 8.117 0.442 -1.404 599 2HB PHE 86 2HB PHE 86 7.631 2.111 -1.630 600 HD1 PHE 86 HD1 PHE 86 6.536 -1.166 -0.809 601 HD2 PHE 86 HD2 PHE 86 5.211 2.527 -2.426 602 HE1 PHE 86 HE1 PHE 86 4.162 -1.785 -0.279 603 HE2 PHE 86 HE2 PHE 86 2.837 1.908 -1.895 604 HZ PHE 86 HZ PHE 86 2.341 -0.240 -0.828 605 H LYS 87 H LYS 87 10.302 0.324 -3.382 606 HA LYS 87 HA LYS 87 11.343 2.969 -3.363 607 1HB LYS 87 1HB LYS 87 12.254 0.390 -2.719 608 2HB LYS 87 2HB LYS 87 13.265 0.905 -4.053 609 1HG LYS 87 1HG LYS 87 13.264 3.215 -2.610 610 2HG LYS 87 2HG LYS 87 13.001 2.079 -1.302 611 1HD LYS 87 1HD LYS 87 15.013 0.788 -2.651 612 2HD LYS 87 2HD LYS 87 15.407 2.450 -3.041 613 1HE LYS 87 1HE LYS 87 14.773 2.460 -0.265 614 2HE LYS 87 2HE LYS 87 15.749 1.026 -0.511 615 1HZ LYS 87 1HZ LYS 87 16.565 3.689 -0.504 616 2HZ LYS 87 2HZ LYS 87 17.487 2.346 -0.612 617 3HZ LYS 87 3HZ LYS 87 16.913 3.053 -1.967 618 H THR 88 H THR 88 10.988 0.346 -5.813 619 HA THR 88 HA THR 88 12.148 2.074 -7.842 620 HB THR 88 HB THR 88 11.838 -0.010 -9.235 621 HG1 THR 88 HG1 THR 88 9.901 -0.712 -8.054 622 1HG2 THR 88 1HG2 THR 88 13.887 -0.454 -8.271 623 2HG2 THR 88 2HG2 THR 88 13.334 0.055 -6.657 624 3HG2 THR 88 3HG2 THR 88 12.967 -1.584 -7.248 625 H ALA 89 H ALA 89 9.222 1.985 -6.309 626 HA ALA 89 HA ALA 89 7.469 2.007 -8.537 627 1HB ALA 89 1HB ALA 89 7.296 2.824 -5.625 628 2HB ALA 89 2HB ALA 89 5.944 3.097 -6.750 629 3HB ALA 89 3HB ALA 89 6.527 1.444 -6.444 630 H LYS 90 H LYS 90 6.430 3.824 -9.537 631 HA LYS 90 HA LYS 90 7.925 6.327 -9.167 632 1HB LYS 90 1HB LYS 90 7.199 4.800 -11.612 633 2HB LYS 90 2HB LYS 90 7.003 6.539 -11.701 634 1HG LYS 90 1HG LYS 90 9.557 5.162 -10.748 635 2HG LYS 90 2HG LYS 90 9.301 5.713 -12.391 636 1HD LYS 90 1HD LYS 90 8.693 7.807 -10.397 637 2HD LYS 90 2HD LYS 90 10.347 7.241 -10.284 638 1HE LYS 90 1HE LYS 90 10.762 7.740 -12.639 639 2HE LYS 90 2HE LYS 90 9.064 8.062 -12.929 640 1HZ LYS 90 1HZ LYS 90 11.019 9.700 -11.564 641 2HZ LYS 90 2HZ LYS 90 9.824 10.141 -12.587 642 3HZ LYS 90 3HZ LYS 90 9.477 9.783 -11.032 643 H GLU 91 H GLU 91 6.699 8.311 -9.385 644 HA GLU 91 HA GLU 91 3.995 7.892 -8.490 645 1HB GLU 91 1HB GLU 91 5.280 10.611 -8.807 646 2HB GLU 91 2HB GLU 91 4.082 10.092 -7.638 647 1HG GLU 91 1HG GLU 91 5.796 9.796 -6.177 648 2HG GLU 91 2HG GLU 91 6.241 8.384 -7.115 649 HA PRO 92 HA PRO 92 2.305 8.894 -8.361 650 1HB PRO 92 1HB PRO 92 -0.240 8.227 -9.099 651 2HB PRO 92 2HB PRO 92 0.280 9.880 -8.838 652 1HG PRO 92 1HG PRO 92 -0.230 8.478 -11.390 653 2HG PRO 92 2HG PRO 92 -0.129 10.201 -11.085 654 1HD PRO 92 1HD PRO 92 1.880 8.553 -12.300 655 2HD PRO 92 2HD PRO 92 2.024 10.251 -11.889 656 H ILE 93 H ILE 93 2.024 7.180 -6.956 657 HA ILE 93 HA ILE 93 2.525 4.641 -8.303 658 HB ILE 93 HB ILE 93 2.762 5.425 -5.395 659 1HG1 ILE 93 1HG1 ILE 93 5.086 4.854 -7.210 660 2HG1 ILE 93 2HG1 ILE 93 4.347 6.443 -7.231 661 1HG2 ILE 93 1HG2 ILE 93 3.631 3.322 -4.937 662 2HG2 ILE 93 2HG2 ILE 93 2.283 2.964 -6.042 663 3HG2 ILE 93 3HG2 ILE 93 3.955 2.966 -6.651 664 1HD1 ILE 93 1HD1 ILE 93 6.323 5.803 -5.510 665 2HD1 ILE 93 2HD1 ILE 93 5.040 6.959 -5.082 666 3HD1 ILE 93 3HD1 ILE 93 4.936 5.270 -4.530 667 H VAL 94 H VAL 94 0.760 3.479 -8.842 668 HA VAL 94 HA VAL 94 -1.699 3.913 -7.399 669 HB VAL 94 HB VAL 94 -0.983 2.111 -9.721 670 1HG1 VAL 94 1HG1 VAL 94 -3.706 2.896 -8.626 671 2HG1 VAL 94 2HG1 VAL 94 -3.405 1.937 -10.094 672 3HG1 VAL 94 3HG1 VAL 94 -2.948 1.291 -8.500 673 1HG2 VAL 94 1HG2 VAL 94 -2.445 3.932 -10.913 674 2HG2 VAL 94 2HG2 VAL 94 -1.973 4.944 -9.527 675 3HG2 VAL 94 3HG2 VAL 94 -0.724 4.246 -10.586 676 H VAL 95 H VAL 95 -2.004 2.928 -5.470 677 HA VAL 95 HA VAL 95 -0.972 0.185 -5.227 678 HB VAL 95 HB VAL 95 -1.513 1.718 -2.771 679 1HG1 VAL 95 1HG1 VAL 95 0.351 -0.354 -3.784 680 2HG1 VAL 95 2HG1 VAL 95 1.015 0.753 -2.559 681 3HG1 VAL 95 3HG1 VAL 95 -0.446 -0.198 -2.201 682 1HG2 VAL 95 1HG2 VAL 95 0.693 2.932 -2.938 683 2HG2 VAL 95 2HG2 VAL 95 0.693 2.552 -4.677 684 3HG2 VAL 95 3HG2 VAL 95 -0.599 3.564 -3.987 685 H GLN 96 H GLN 96 -2.323 -1.337 -4.073 686 HA GLN 96 HA GLN 96 -5.054 -0.401 -3.728 687 1HB GLN 96 1HB GLN 96 -5.252 -1.471 -5.822 688 2HB GLN 96 2HB GLN 96 -4.081 -2.711 -5.419 689 1HG GLN 96 1HG GLN 96 -5.618 -3.968 -4.176 690 2HG GLN 96 2HG GLN 96 -6.583 -2.570 -3.745 691 1HE2 GLN 96 1HE2 GLN 96 -7.906 -1.571 -5.363 692 2HE2 GLN 96 2HE2 GLN 96 -8.565 -2.498 -6.670 693 H VAL 97 H VAL 97 -6.263 -1.519 -2.080 694 HA VAL 97 HA VAL 97 -4.700 -3.457 -0.534 695 HB VAL 97 HB VAL 97 -5.341 -2.372 1.521 696 1HG1 VAL 97 1HG1 VAL 97 -3.831 -0.846 -0.556 697 2HG1 VAL 97 2HG1 VAL 97 -4.213 -0.014 0.970 698 3HG1 VAL 97 3HG1 VAL 97 -3.281 -1.530 0.993 699 1HG2 VAL 97 1HG2 VAL 97 -7.363 -1.316 1.317 700 2HG2 VAL 97 2HG2 VAL 97 -6.289 0.093 1.151 701 3HG2 VAL 97 3HG2 VAL 97 -6.990 -0.666 -0.298 702 H LEU 98 H LEU 98 -6.171 -4.675 1.048 703 HA LEU 98 HA LEU 98 -8.782 -5.038 -0.248 704 1HB LEU 98 1HB LEU 98 -6.659 -6.872 0.311 705 2HB LEU 98 2HB LEU 98 -8.052 -7.318 1.276 706 HG LEU 98 HG LEU 98 -9.435 -7.569 -0.667 707 1HD1 LEU 98 1HD1 LEU 98 -7.599 -7.213 -2.832 708 2HD1 LEU 98 2HD1 LEU 98 -9.148 -6.393 -2.522 709 3HD1 LEU 98 3HD1 LEU 98 -7.639 -5.725 -1.856 710 1HD2 LEU 98 1HD2 LEU 98 -6.763 -8.914 -0.689 711 2HD2 LEU 98 2HD2 LEU 98 -8.382 -9.583 -0.373 712 3HD2 LEU 98 3HD2 LEU 98 -7.886 -9.200 -2.039 713 H ARG 99 H ARG 99 -10.286 -3.976 0.942 714 HA ARG 99 HA ARG 99 -9.908 -3.983 3.809 715 1HB ARG 99 1HB ARG 99 -11.037 -2.120 1.865 716 2HB ARG 99 2HB ARG 99 -12.232 -2.471 3.098 717 1HG ARG 99 1HG ARG 99 -10.890 -0.558 3.823 718 2HG ARG 99 2HG ARG 99 -10.549 -1.917 4.875 719 1HD ARG 99 1HD ARG 99 -8.346 -1.789 4.347 720 2HD ARG 99 2HD ARG 99 -8.720 -2.095 2.662 721 HE ARG 99 HE ARG 99 -8.226 0.142 2.268 722 1HH1 ARG 99 1HH1 ARG 99 -9.519 -0.141 5.529 723 2HH1 ARG 99 2HH1 ARG 99 -9.383 1.553 5.867 724 1HH2 ARG 99 1HH2 ARG 99 -8.046 2.376 2.714 725 2HH2 ARG 99 2HH2 ARG 99 -8.539 2.994 4.255 726 H ARG 100 H ARG 100 -11.470 -4.888 5.244 727 HA ARG 100 HA ARG 100 -12.778 -7.094 4.457 728 1HB ARG 100 1HB ARG 100 -13.830 -5.277 6.673 729 2HB ARG 100 2HB ARG 100 -13.922 -7.026 6.603 730 1HG ARG 100 1HG ARG 100 -12.037 -6.982 7.894 731 2HG ARG 100 2HG ARG 100 -11.197 -6.653 6.391 732 1HD ARG 100 1HD ARG 100 -12.263 -4.149 7.348 733 2HD ARG 100 2HD ARG 100 -11.476 -4.936 8.702 734 HE ARG 100 HE ARG 100 -10.179 -3.907 6.284 735 1HH1 ARG 100 1HH1 ARG 100 -9.879 -6.133 8.992 736 2HH1 ARG 100 2HH1 ARG 100 -8.149 -6.186 8.923 737 1HH2 ARG 100 1HH2 ARG 100 -7.896 -3.976 6.192 738 2HH2 ARG 100 2HH2 ARG 100 -7.014 -4.950 7.320 739 H THR 101 H THR 101 -15.386 -7.334 4.884 740 HA THR 101 HA THR 101 -16.591 -5.914 2.731 741 HB THR 101 HB THR 101 -18.462 -7.382 3.215 742 HG1 THR 101 HG1 THR 101 -17.054 -7.828 5.749 743 1HG2 THR 101 1HG2 THR 101 -16.104 -8.519 2.696 744 2HG2 THR 101 2HG2 THR 101 -16.207 -9.030 4.398 745 3HG2 THR 101 3HG2 THR 101 -17.467 -9.526 3.242 746 H SER 102 H SER 102 -17.709 -4.059 2.678 747 HA SER 102 HA SER 102 -17.879 -2.614 5.132 748 1HB SER 102 1HB SER 102 -17.714 -1.983 2.352 749 2HB SER 102 2HB SER 102 -19.234 -1.317 2.913 750 HG SER 102 HG SER 102 -16.833 -0.907 4.440 751 H GLY 103 H GLY 103 -19.661 -2.548 6.458 752 1HA GLY 103 1HA GLY 103 -22.270 -3.271 5.267 753 2HA GLY 103 2HA GLY 103 -21.719 -3.945 6.788 754 HA PRO 104 HA PRO 104 -23.580 0.344 7.290 755 1HB PRO 104 1HB PRO 104 -26.286 -0.035 7.241 756 2HB PRO 104 2HB PRO 104 -25.378 0.568 5.868 757 1HG PRO 104 1HG PRO 104 -26.530 -2.121 6.292 758 2HG PRO 104 2HG PRO 104 -26.005 -1.375 4.796 759 1HD PRO 104 1HD PRO 104 -24.601 -3.371 6.303 760 2HD PRO 104 2HD PRO 104 -24.025 -2.541 4.871 761 H SER 105 H SER 105 -23.823 1.186 9.303 762 HA SER 105 HA SER 105 -25.354 -0.090 11.209 763 1HB SER 105 1HB SER 105 -22.690 -1.228 10.885 764 2HB SER 105 2HB SER 105 -22.841 -0.512 12.478 765 HG SER 105 HG SER 105 -25.089 -1.764 12.325 766 H SER 106 H SER 106 -25.951 1.695 12.377 767 HA SER 106 HA SER 106 -23.938 3.311 13.545 768 1HB SER 106 1HB SER 106 -24.975 4.131 11.006 769 2HB SER 106 2HB SER 106 -25.683 5.198 12.202 770 HG SER 106 HG SER 106 -23.714 6.005 12.740 771 H GLY 107 H GLY 107 -27.429 3.412 12.496 772 1HA GLY 107 1HA GLY 107 -29.329 3.661 13.667 773 2HA GLY 107 2HA GLY 107 -28.503 2.916 15.021 Start of MODEL 7 1 1H GLY 1 1H GLY 1 -23.425 -21.988 -10.136 2 1HA GLY 1 1HA GLY 1 -24.249 -19.454 -9.785 3 2HA GLY 1 2HA GLY 1 -24.968 -20.256 -8.403 4 H SER 2 H SER 2 -23.613 -21.227 -6.762 5 HA SER 2 HA SER 2 -21.901 -21.274 -5.430 6 1HB SER 2 1HB SER 2 -21.000 -22.602 -7.470 7 2HB SER 2 2HB SER 2 -20.051 -21.177 -7.842 8 HG SER 2 HG SER 2 -19.419 -21.431 -5.391 9 H SER 3 H SER 3 -21.913 -19.317 -4.313 10 HA SER 3 HA SER 3 -20.049 -17.349 -5.307 11 1HB SER 3 1HB SER 3 -22.980 -16.827 -4.713 12 2HB SER 3 2HB SER 3 -21.795 -15.545 -4.566 13 HG SER 3 HG SER 3 -21.412 -15.565 -6.745 14 H GLY 4 H GLY 4 -18.977 -16.222 -3.613 15 1HA GLY 4 1HA GLY 4 -19.797 -17.000 -0.877 16 2HA GLY 4 2HA GLY 4 -18.128 -16.983 -1.411 17 H SER 5 H SER 5 -18.399 -15.473 0.718 18 HA SER 5 HA SER 5 -18.757 -12.772 -0.326 19 1HB SER 5 1HB SER 5 -19.530 -12.051 1.827 20 2HB SER 5 2HB SER 5 -20.413 -13.519 1.456 21 HG SER 5 HG SER 5 -18.034 -13.387 3.107 22 H SER 6 H SER 6 -16.776 -11.822 -0.634 23 HA SER 6 HA SER 6 -14.763 -12.389 1.396 24 1HB SER 6 1HB SER 6 -14.603 -13.212 -1.247 25 2HB SER 6 2HB SER 6 -13.743 -11.686 -1.301 26 HG SER 6 HG SER 6 -13.179 -13.676 0.715 27 H GLY 7 H GLY 7 -12.899 -10.589 1.173 28 1HA GLY 7 1HA GLY 7 -14.118 -8.098 1.708 29 2HA GLY 7 2HA GLY 7 -12.404 -8.426 1.545 30 H LYS 8 H LYS 8 -12.910 -6.065 0.557 31 HA LYS 8 HA LYS 8 -13.314 -6.470 -2.326 32 1HB LYS 8 1HB LYS 8 -14.450 -4.526 -0.445 33 2HB LYS 8 2HB LYS 8 -13.720 -3.772 -1.848 34 1HG LYS 8 1HG LYS 8 -15.725 -4.233 -2.855 35 2HG LYS 8 2HG LYS 8 -15.051 -5.837 -3.068 36 1HD LYS 8 1HD LYS 8 -16.239 -6.730 -1.212 37 2HD LYS 8 2HD LYS 8 -16.499 -5.153 -0.493 38 1HE LYS 8 1HE LYS 8 -18.074 -4.547 -2.311 39 2HE LYS 8 2HE LYS 8 -17.764 -6.070 -3.120 40 1HZ LYS 8 1HZ LYS 8 -19.131 -5.632 -0.576 41 2HZ LYS 8 2HZ LYS 8 -19.667 -6.428 -1.898 42 3HZ LYS 8 3HZ LYS 8 -18.518 -7.099 -0.951 43 H SER 9 H SER 9 -12.184 -4.464 -3.542 44 HA SER 9 HA SER 9 -9.568 -4.148 -2.298 45 1HB SER 9 1HB SER 9 -8.433 -4.701 -4.292 46 2HB SER 9 2HB SER 9 -9.715 -5.893 -4.214 47 HG SER 9 HG SER 9 -9.355 -3.738 -6.011 48 H LEU 10 H LEU 10 -8.899 -2.021 -2.209 49 HA LEU 10 HA LEU 10 -10.349 -0.137 -3.936 50 1HB LEU 10 1HB LEU 10 -9.130 0.901 -1.473 51 2HB LEU 10 2HB LEU 10 -10.669 1.271 -2.224 52 HG LEU 10 HG LEU 10 -11.257 0.318 -0.186 53 1HD1 LEU 10 1HD1 LEU 10 -11.500 -2.321 -1.350 54 2HD1 LEU 10 2HD1 LEU 10 -12.754 -1.109 -0.992 55 3HD1 LEU 10 3HD1 LEU 10 -11.881 -1.056 -2.543 56 1HD2 LEU 10 1HD2 LEU 10 -9.667 -0.701 0.989 57 2HD2 LEU 10 2HD2 LEU 10 -10.075 -2.187 0.098 58 3HD2 LEU 10 3HD2 LEU 10 -8.758 -1.137 -0.478 59 H THR 11 H THR 11 -9.107 1.757 -4.666 60 HA THR 11 HA THR 11 -6.256 1.065 -4.924 61 HB THR 11 HB THR 11 -7.761 2.941 -6.771 62 HG1 THR 11 HG1 THR 11 -9.015 0.920 -6.418 63 1HG2 THR 11 1HG2 THR 11 -5.317 2.519 -7.150 64 2HG2 THR 11 2HG2 THR 11 -5.641 0.770 -7.200 65 3HG2 THR 11 3HG2 THR 11 -6.302 1.833 -8.465 66 H LEU 12 H LEU 12 -4.665 2.545 -4.454 67 HA LEU 12 HA LEU 12 -5.547 5.192 -3.617 68 1HB LEU 12 1HB LEU 12 -3.606 4.309 -1.740 69 2HB LEU 12 2HB LEU 12 -5.242 4.873 -1.464 70 HG LEU 12 HG LEU 12 -5.742 2.312 -2.238 71 1HD1 LEU 12 1HD1 LEU 12 -3.864 1.115 -2.286 72 2HD1 LEU 12 2HD1 LEU 12 -2.919 2.409 -1.513 73 3HD1 LEU 12 3HD1 LEU 12 -3.844 1.264 -0.513 74 1HD2 LEU 12 1HD2 LEU 12 -5.226 2.255 0.574 75 2HD2 LEU 12 2HD2 LEU 12 -5.855 3.862 0.137 76 3HD2 LEU 12 3HD2 LEU 12 -6.780 2.400 -0.283 77 H VAL 13 H VAL 13 -4.083 6.800 -4.127 78 HA VAL 13 HA VAL 13 -1.729 5.862 -5.585 79 HB VAL 13 HB VAL 13 -3.686 7.569 -6.321 80 1HG1 VAL 13 1HG1 VAL 13 -2.753 9.875 -6.265 81 2HG1 VAL 13 2HG1 VAL 13 -3.177 9.253 -4.652 82 3HG1 VAL 13 3HG1 VAL 13 -1.474 9.301 -5.168 83 1HG2 VAL 13 1HG2 VAL 13 -0.779 7.806 -7.167 84 2HG2 VAL 13 2HG2 VAL 13 -1.921 6.570 -7.746 85 3HG2 VAL 13 3HG2 VAL 13 -2.206 8.288 -8.115 86 H LEU 14 H LEU 14 0.187 5.865 -4.542 87 HA LEU 14 HA LEU 14 0.470 7.766 -2.321 88 1HB LEU 14 1HB LEU 14 1.945 5.164 -2.724 89 2HB LEU 14 2HB LEU 14 2.010 6.216 -1.324 90 HG LEU 14 HG LEU 14 -0.325 4.527 -2.246 91 1HD1 LEU 14 1HD1 LEU 14 1.301 4.469 0.311 92 2HD1 LEU 14 2HD1 LEU 14 -0.048 3.389 -0.114 93 3HD1 LEU 14 3HD1 LEU 14 1.464 3.337 -1.053 94 1HD2 LEU 14 1HD2 LEU 14 -1.028 5.570 0.215 95 2HD2 LEU 14 2HD2 LEU 14 -0.322 6.964 -0.637 96 3HD2 LEU 14 3HD2 LEU 14 -1.675 6.067 -1.367 97 H HIS 15 H HIS 15 2.621 8.747 -2.033 98 HA HIS 15 HA HIS 15 4.089 8.838 -4.566 99 1HB HIS 15 1HB HIS 15 3.407 11.157 -2.738 100 2HB HIS 15 2HB HIS 15 4.515 11.250 -4.093 101 HD1 HIS 15 HD1 HIS 15 3.522 11.631 -6.399 102 HD2 HIS 15 HD2 HIS 15 0.635 10.637 -3.523 103 HE1 HIS 15 HE1 HIS 15 1.253 11.976 -7.514 104 H ARG 16 H ARG 16 6.381 9.895 -4.133 105 HA ARG 16 HA ARG 16 7.345 8.626 -1.698 106 1HB ARG 16 1HB ARG 16 8.641 9.025 -4.430 107 2HB ARG 16 2HB ARG 16 9.599 8.623 -3.019 108 1HG ARG 16 1HG ARG 16 7.787 6.681 -2.719 109 2HG ARG 16 2HG ARG 16 7.506 6.954 -4.427 110 1HD ARG 16 1HD ARG 16 10.375 6.706 -3.555 111 2HD ARG 16 2HD ARG 16 9.409 5.244 -3.511 112 HE ARG 16 HE ARG 16 9.270 5.264 -5.866 113 1HH1 ARG 16 1HH1 ARG 16 10.612 8.304 -4.709 114 2HH1 ARG 16 2HH1 ARG 16 11.093 8.839 -6.284 115 1HH2 ARG 16 1HH2 ARG 16 9.905 5.968 -7.945 116 2HH2 ARG 16 2HH2 ARG 16 10.688 7.501 -8.137 117 H ASP 17 H ASP 17 7.075 10.539 -0.375 118 HA ASP 17 HA ASP 17 8.065 13.020 -1.236 119 1HB ASP 17 1HB ASP 17 6.417 13.204 0.421 120 2HB ASP 17 2HB ASP 17 7.028 11.837 1.331 121 H SER 18 H SER 18 10.320 12.566 -1.849 122 HA SER 18 HA SER 18 12.461 12.382 -1.553 123 1HB SER 18 1HB SER 18 13.483 13.414 0.382 124 2HB SER 18 2HB SER 18 12.033 14.321 0.001 125 HG SER 18 HG SER 18 12.217 12.250 2.021 126 H GLY 19 H GLY 19 12.045 9.984 -1.843 127 1HA GLY 19 1HA GLY 19 12.205 7.817 -1.219 128 2HA GLY 19 2HA GLY 19 13.602 8.382 -0.324 129 H SER 20 H SER 20 9.980 8.596 0.025 130 HA SER 20 HA SER 20 10.010 7.060 2.361 131 1HB SER 20 1HB SER 20 10.971 9.431 3.043 132 2HB SER 20 2HB SER 20 9.298 9.944 2.943 133 HG SER 20 HG SER 20 10.526 8.632 4.968 134 H LEU 21 H LEU 21 8.234 5.966 1.469 135 HA LEU 21 HA LEU 21 6.161 7.131 0.080 136 1HB LEU 21 1HB LEU 21 6.423 4.596 1.670 137 2HB LEU 21 2HB LEU 21 4.908 5.027 0.902 138 HG LEU 21 HG LEU 21 6.239 3.469 -0.451 139 1HD1 LEU 21 1HD1 LEU 21 6.151 4.720 -2.589 140 2HD1 LEU 21 2HD1 LEU 21 4.683 4.909 -1.601 141 3HD1 LEU 21 3HD1 LEU 21 5.885 6.220 -1.670 142 1HD2 LEU 21 1HD2 LEU 21 8.308 4.269 -1.571 143 2HD2 LEU 21 2HD2 LEU 21 8.286 5.701 -0.515 144 3HD2 LEU 21 3HD2 LEU 21 8.477 4.078 0.191 145 H GLY 22 H GLY 22 6.747 6.852 3.586 146 1HA GLY 22 1HA GLY 22 5.841 8.417 5.080 147 2HA GLY 22 2HA GLY 22 4.466 8.653 4.020 148 H PHE 23 H PHE 23 5.914 5.508 5.049 149 HA PHE 23 HA PHE 23 4.134 4.984 7.115 150 1HB PHE 23 1HB PHE 23 2.419 3.715 5.999 151 2HB PHE 23 2HB PHE 23 2.636 5.094 4.940 152 HD1 PHE 23 HD1 PHE 23 5.137 4.343 3.533 153 HD2 PHE 23 HD2 PHE 23 1.753 2.002 4.572 154 HE1 PHE 23 HE1 PHE 23 5.619 2.795 1.617 155 HE2 PHE 23 HE2 PHE 23 2.235 0.455 2.655 156 HZ PHE 23 HZ PHE 23 4.162 0.870 1.201 157 H ASN 24 H ASN 24 3.887 2.335 7.256 158 HA ASN 24 HA ASN 24 6.539 1.349 6.546 159 1HB ASN 24 1HB ASN 24 4.863 0.886 9.061 160 2HB ASN 24 2HB ASN 24 6.220 -0.144 8.652 161 1HD2 ASN 24 1HD2 ASN 24 8.040 0.357 9.580 162 2HD2 ASN 24 2HD2 ASN 24 8.581 1.929 10.067 163 H ILE 25 H ILE 25 6.519 -1.213 6.553 164 HA ILE 25 HA ILE 25 3.891 -2.271 5.865 165 HB ILE 25 HB ILE 25 5.175 -3.453 3.916 166 1HG1 ILE 25 1HG1 ILE 25 6.663 -0.832 3.866 167 2HG1 ILE 25 2HG1 ILE 25 7.337 -2.230 4.680 168 1HG2 ILE 25 1HG2 ILE 25 3.456 -2.348 3.013 169 2HG2 ILE 25 2HG2 ILE 25 3.642 -0.964 4.116 170 3HG2 ILE 25 3HG2 ILE 25 4.640 -1.071 2.646 171 1HD1 ILE 25 1HD1 ILE 25 6.424 -2.174 1.766 172 2HD1 ILE 25 2HD1 ILE 25 8.112 -2.092 2.323 173 3HD1 ILE 25 3HD1 ILE 25 7.155 -3.567 2.599 174 H ILE 26 H ILE 26 3.719 -4.566 6.160 175 HA ILE 26 HA ILE 26 6.065 -5.819 7.367 176 HB ILE 26 HB ILE 26 5.067 -6.360 9.334 177 1HG1 ILE 26 1HG1 ILE 26 2.315 -5.873 8.157 178 2HG1 ILE 26 2HG1 ILE 26 3.093 -7.440 8.258 179 1HG2 ILE 26 1HG2 ILE 26 4.196 -4.399 10.329 180 2HG2 ILE 26 2HG2 ILE 26 5.299 -3.855 9.042 181 3HG2 ILE 26 3HG2 ILE 26 3.539 -3.811 8.783 182 1HD1 ILE 26 1HD1 ILE 26 2.713 -5.684 10.715 183 2HD1 ILE 26 2HD1 ILE 26 1.470 -6.834 10.167 184 3HD1 ILE 26 3HD1 ILE 26 3.076 -7.426 10.656 185 H GLY 27 H GLY 27 5.668 -8.272 7.600 186 1HA GLY 27 1HA GLY 27 4.570 -10.198 6.847 187 2HA GLY 27 2HA GLY 27 3.765 -9.269 5.598 188 H GLY 28 H GLY 28 5.812 -11.716 5.813 189 1HA GLY 28 1HA GLY 28 6.823 -11.689 3.300 190 2HA GLY 28 2HA GLY 28 8.030 -10.805 4.212 191 H ARG 29 H ARG 29 8.067 -12.060 6.698 192 HA ARG 29 HA ARG 29 9.741 -14.094 6.357 193 1HB ARG 29 1HB ARG 29 7.737 -13.545 8.584 194 2HB ARG 29 2HB ARG 29 8.856 -14.888 8.704 195 1HG ARG 29 1HG ARG 29 10.770 -13.461 8.707 196 2HG ARG 29 2HG ARG 29 9.878 -12.108 8.039 197 1HD ARG 29 1HD ARG 29 8.489 -12.677 10.415 198 2HD ARG 29 2HD ARG 29 10.163 -12.953 10.855 199 HE ARG 29 HE ARG 29 8.939 -10.385 10.178 200 1HH1 ARG 29 1HH1 ARG 29 11.969 -12.169 10.308 201 2HH1 ARG 29 2HH1 ARG 29 12.950 -10.746 10.424 202 1HH2 ARG 29 1HH2 ARG 29 10.232 -8.507 10.331 203 2HH2 ARG 29 2HH2 ARG 29 11.955 -8.649 10.437 204 HA PRO 30 HA PRO 30 7.264 -17.423 4.964 205 1HB PRO 30 1HB PRO 30 9.113 -19.430 5.100 206 2HB PRO 30 2HB PRO 30 9.011 -18.311 3.755 207 1HG PRO 30 1HG PRO 30 10.987 -18.392 5.953 208 2HG PRO 30 2HG PRO 30 11.101 -17.581 4.404 209 1HD PRO 30 1HD PRO 30 10.547 -16.364 6.942 210 2HD PRO 30 2HD PRO 30 10.547 -15.573 5.379 211 H SER 31 H SER 31 6.558 -19.725 5.544 212 HA SER 31 HA SER 31 5.453 -19.565 8.037 213 1HB SER 31 1HB SER 31 6.055 -21.979 6.279 214 2HB SER 31 2HB SER 31 5.096 -22.090 7.742 215 HG SER 31 HG SER 31 4.417 -21.052 5.229 216 H VAL 32 H VAL 32 5.815 -21.450 9.784 217 HA VAL 32 HA VAL 32 8.063 -20.974 11.166 218 HB VAL 32 HB VAL 32 6.462 -23.526 10.942 219 1HG1 VAL 32 1HG1 VAL 32 7.523 -23.474 13.495 220 2HG1 VAL 32 2HG1 VAL 32 8.088 -24.493 12.150 221 3HG1 VAL 32 3HG1 VAL 32 8.887 -22.938 12.485 222 1HG2 VAL 32 1HG2 VAL 32 5.117 -21.649 11.640 223 2HG2 VAL 32 2HG2 VAL 32 5.430 -22.680 13.057 224 3HG2 VAL 32 3HG2 VAL 32 6.336 -21.163 12.842 225 H ASP 33 H ASP 33 7.652 -23.876 9.007 226 HA ASP 33 HA ASP 33 10.265 -23.501 7.995 227 1HB ASP 33 1HB ASP 33 10.042 -25.018 10.377 228 2HB ASP 33 2HB ASP 33 10.157 -26.220 9.107 229 H ASN 34 H ASN 34 9.257 -23.678 5.918 230 HA ASN 34 HA ASN 34 8.598 -24.734 4.131 231 1HB ASN 34 1HB ASN 34 9.721 -26.838 5.558 232 2HB ASN 34 2HB ASN 34 8.082 -27.420 5.338 233 1HD2 ASN 34 1HD2 ASN 34 10.862 -27.987 4.164 234 2HD2 ASN 34 2HD2 ASN 34 10.608 -28.079 2.453 235 H HIS 35 H HIS 35 6.997 -26.540 6.876 236 HA HIS 35 HA HIS 35 4.875 -27.055 7.226 237 1HB HIS 35 1HB HIS 35 5.282 -24.394 7.646 238 2HB HIS 35 2HB HIS 35 3.919 -24.335 6.545 239 HD1 HIS 35 HD1 HIS 35 2.334 -23.495 8.440 240 HD2 HIS 35 HD2 HIS 35 4.030 -27.265 9.151 241 HE1 HIS 35 HE1 HIS 35 1.041 -24.504 10.395 242 H ASP 36 H ASP 36 4.664 -28.520 5.410 243 HA ASP 36 HA ASP 36 4.171 -27.964 2.873 244 1HB ASP 36 1HB ASP 36 3.852 -30.178 4.540 245 2HB ASP 36 2HB ASP 36 2.222 -29.929 3.947 246 H GLY 37 H GLY 37 2.709 -26.558 1.893 247 1HA GLY 37 1HA GLY 37 0.094 -26.586 1.738 248 2HA GLY 37 2HA GLY 37 0.252 -25.864 3.328 249 H SER 38 H SER 38 2.140 -25.509 0.236 250 HA SER 38 HA SER 38 2.764 -23.760 -0.887 251 1HB SER 38 1HB SER 38 -0.043 -23.215 -0.194 252 2HB SER 38 2HB SER 38 0.854 -21.738 -0.487 253 HG SER 38 HG SER 38 0.471 -22.190 -2.551 254 H SER 39 H SER 39 3.165 -21.174 -0.708 255 HA SER 39 HA SER 39 4.705 -20.879 1.611 256 1HB SER 39 1HB SER 39 3.975 -19.118 -0.732 257 2HB SER 39 2HB SER 39 4.770 -18.394 0.652 258 HG SER 39 HG SER 39 6.297 -20.418 0.310 259 H SER 40 H SER 40 4.490 -18.569 2.842 260 HA SER 40 HA SER 40 1.725 -17.909 3.266 261 1HB SER 40 1HB SER 40 2.574 -19.867 4.856 262 2HB SER 40 2HB SER 40 3.348 -18.561 5.731 263 HG SER 40 HG SER 40 0.590 -19.158 5.429 264 H GLU 41 H GLU 41 2.671 -15.944 2.203 265 HA GLU 41 HA GLU 41 3.770 -14.230 4.247 266 1HB GLU 41 1HB GLU 41 5.534 -13.355 2.747 267 2HB GLU 41 2HB GLU 41 5.767 -15.062 3.070 268 1HG GLU 41 1HG GLU 41 4.240 -15.289 0.840 269 2HG GLU 41 2HG GLU 41 4.923 -13.706 0.521 270 H GLY 42 H GLY 42 3.503 -11.895 3.708 271 1HA GLY 42 1HA GLY 42 1.970 -11.200 1.367 272 2HA GLY 42 2HA GLY 42 1.033 -11.188 2.848 273 H ILE 43 H ILE 43 1.048 -8.778 1.883 274 HA ILE 43 HA ILE 43 3.156 -7.384 3.372 275 HB ILE 43 HB ILE 43 2.055 -6.551 0.687 276 1HG1 ILE 43 1HG1 ILE 43 3.422 -8.525 0.395 277 2HG1 ILE 43 2HG1 ILE 43 4.275 -7.117 -0.205 278 1HG2 ILE 43 1HG2 ILE 43 2.640 -4.593 1.835 279 2HG2 ILE 43 2HG2 ILE 43 4.075 -5.344 2.574 280 3HG2 ILE 43 3HG2 ILE 43 4.063 -4.970 0.834 281 1HD1 ILE 43 1HD1 ILE 43 4.976 -7.318 2.549 282 2HD1 ILE 43 2HD1 ILE 43 5.069 -8.967 1.886 283 3HD1 ILE 43 3HD1 ILE 43 6.012 -7.655 1.141 284 H PHE 44 H PHE 44 2.369 -6.022 4.892 285 HA PHE 44 HA PHE 44 -0.318 -4.958 4.463 286 1HB PHE 44 1HB PHE 44 0.859 -6.374 6.928 287 2HB PHE 44 2HB PHE 44 -0.638 -5.465 6.988 288 HD1 PHE 44 HD1 PHE 44 0.976 -8.382 5.359 289 HD2 PHE 44 HD2 PHE 44 -2.671 -6.470 6.383 290 HE1 PHE 44 HE1 PHE 44 -0.295 -10.429 4.656 291 HE2 PHE 44 HE2 PHE 44 -3.942 -8.517 5.680 292 HZ PHE 44 HZ PHE 44 -2.739 -10.472 4.824 293 H VAL 45 H VAL 45 -0.798 -3.100 5.995 294 HA VAL 45 HA VAL 45 1.687 -1.607 6.418 295 HB VAL 45 HB VAL 45 -1.177 -0.756 5.970 296 1HG1 VAL 45 1HG1 VAL 45 1.168 0.750 7.037 297 2HG1 VAL 45 2HG1 VAL 45 0.137 1.573 5.842 298 3HG1 VAL 45 3HG1 VAL 45 -0.571 0.956 7.354 299 1HG2 VAL 45 1HG2 VAL 45 0.533 -1.522 4.081 300 2HG2 VAL 45 2HG2 VAL 45 -0.574 -0.149 3.842 301 3HG2 VAL 45 3HG2 VAL 45 1.125 0.144 4.283 302 H SER 46 H SER 46 2.392 -1.305 8.466 303 HA SER 46 HA SER 46 0.454 -1.853 10.565 304 1HB SER 46 1HB SER 46 2.566 -3.254 10.424 305 2HB SER 46 2HB SER 46 3.497 -1.808 10.758 306 HG SER 46 HG SER 46 2.689 -1.698 12.831 307 H LYS 47 H LYS 47 2.968 0.436 9.387 308 HA LYS 47 HA LYS 47 1.894 2.402 11.288 309 1HB LYS 47 1HB LYS 47 4.282 1.486 11.700 310 2HB LYS 47 2HB LYS 47 4.743 2.428 10.297 311 1HG LYS 47 1HG LYS 47 3.053 3.927 12.224 312 2HG LYS 47 2HG LYS 47 4.581 3.398 12.899 313 1HD LYS 47 1HD LYS 47 5.855 4.679 11.401 314 2HD LYS 47 2HD LYS 47 4.620 4.656 10.158 315 1HE LYS 47 1HE LYS 47 3.658 6.572 10.935 316 2HE LYS 47 2HE LYS 47 3.645 5.989 12.588 317 1HZ LYS 47 1HZ LYS 47 5.267 7.901 11.612 318 2HZ LYS 47 2HZ LYS 47 5.484 7.109 13.024 319 3HZ LYS 47 3HZ LYS 47 6.260 6.606 11.678 320 H ILE 48 H ILE 48 1.545 4.517 10.491 321 HA ILE 48 HA ILE 48 2.084 4.917 7.656 322 HB ILE 48 HB ILE 48 -0.638 4.970 8.943 323 1HG1 ILE 48 1HG1 ILE 48 0.546 3.511 6.569 324 2HG1 ILE 48 2HG1 ILE 48 -0.028 2.815 8.072 325 1HG2 ILE 48 1HG2 ILE 48 -0.143 7.080 7.640 326 2HG2 ILE 48 2HG2 ILE 48 0.003 6.052 6.194 327 3HG2 ILE 48 3HG2 ILE 48 -1.538 6.125 7.082 328 1HD1 ILE 48 1HD1 ILE 48 -1.558 3.670 5.693 329 2HD1 ILE 48 2HD1 ILE 48 -2.001 2.515 6.973 330 3HD1 ILE 48 3HD1 ILE 48 -2.249 4.260 7.223 331 H VAL 49 H VAL 49 3.065 6.847 7.400 332 HA VAL 49 HA VAL 49 3.198 8.633 9.626 333 HB VAL 49 HB VAL 49 4.200 8.927 6.788 334 1HG1 VAL 49 1HG1 VAL 49 5.905 10.237 8.602 335 2HG1 VAL 49 2HG1 VAL 49 4.799 10.981 7.423 336 3HG1 VAL 49 3HG1 VAL 49 4.253 10.684 9.091 337 1HG2 VAL 49 1HG2 VAL 49 5.279 7.468 9.174 338 2HG2 VAL 49 2HG2 VAL 49 5.321 7.029 7.450 339 3HG2 VAL 49 3HG2 VAL 49 6.419 8.282 8.076 340 H ASP 50 H ASP 50 1.714 10.153 10.127 341 HA ASP 50 HA ASP 50 -0.548 10.588 8.746 342 1HB ASP 50 1HB ASP 50 1.043 12.141 10.753 343 2HB ASP 50 2HB ASP 50 -0.185 13.053 9.898 344 H SER 51 H SER 51 1.802 13.324 9.079 345 HA SER 51 HA SER 51 1.052 14.777 7.004 346 1HB SER 51 1HB SER 51 3.002 15.079 8.745 347 2HB SER 51 2HB SER 51 4.018 14.384 7.497 348 HG SER 51 HG SER 51 3.962 16.228 6.405 349 H GLY 52 H GLY 52 2.818 11.708 6.887 350 1HA GLY 52 1HA GLY 52 4.052 11.736 4.451 351 2HA GLY 52 2HA GLY 52 3.274 10.335 5.161 352 HA PRO 53 HA PRO 53 0.911 11.992 1.469 353 1HB PRO 53 1HB PRO 53 2.144 10.848 -0.685 354 2HB PRO 53 2HB PRO 53 2.426 12.505 -0.188 355 1HG PRO 53 1HG PRO 53 4.172 10.144 0.154 356 2HG PRO 53 2HG PRO 53 4.592 11.842 0.249 357 1HD PRO 53 1HD PRO 53 4.233 10.038 2.450 358 2HD PRO 53 2HD PRO 53 4.538 11.761 2.546 359 H ALA 54 H ALA 54 1.758 9.193 2.923 360 HA ALA 54 HA ALA 54 0.142 7.490 1.244 361 1HB ALA 54 1HB ALA 54 2.293 7.138 2.992 362 2HB ALA 54 2HB ALA 54 0.907 6.458 3.878 363 3HB ALA 54 3HB ALA 54 1.312 5.848 2.256 364 H ALA 55 H ALA 55 -0.041 9.230 4.380 365 HA ALA 55 HA ALA 55 -2.698 8.141 4.836 366 1HB ALA 55 1HB ALA 55 -2.270 9.863 6.883 367 2HB ALA 55 2HB ALA 55 -1.664 8.190 6.877 368 3HB ALA 55 3HB ALA 55 -0.585 9.529 6.419 369 H LYS 56 H LYS 56 -0.994 11.241 4.129 370 HA LYS 56 HA LYS 56 -3.094 12.972 4.363 371 1HB LYS 56 1HB LYS 56 -0.725 12.931 2.485 372 2HB LYS 56 2HB LYS 56 -1.856 14.268 2.533 373 1HG LYS 56 1HG LYS 56 -0.372 13.208 4.983 374 2HG LYS 56 2HG LYS 56 0.177 14.567 4.024 375 1HD LYS 56 1HD LYS 56 -2.588 15.046 4.635 376 2HD LYS 56 2HD LYS 56 -1.824 14.525 6.123 377 1HE LYS 56 1HE LYS 56 0.054 16.237 5.576 378 2HE LYS 56 2HE LYS 56 -1.026 16.871 4.351 379 1HZ LYS 56 1HZ LYS 56 -1.718 16.606 7.194 380 2HZ LYS 56 2HZ LYS 56 -1.247 17.994 6.474 381 3HZ LYS 56 3HZ LYS 56 -2.652 17.283 6.038 382 H GLU 57 H GLU 57 -2.021 12.049 1.049 383 HA GLU 57 HA GLU 57 -4.842 11.948 0.364 384 1HB GLU 57 1HB GLU 57 -4.030 12.261 -1.992 385 2HB GLU 57 2HB GLU 57 -3.583 13.577 -0.924 386 1HG GLU 57 1HG GLU 57 -1.309 12.718 -0.691 387 2HG GLU 57 2HG GLU 57 -1.726 11.229 -1.515 388 H GLY 58 H GLY 58 -1.853 10.067 0.542 389 1HA GLY 58 1HA GLY 58 -1.973 8.036 -1.128 390 2HA GLY 58 2HA GLY 58 -1.693 7.784 0.583 391 H GLY 59 H GLY 59 -4.135 8.255 1.791 392 1HA GLY 59 1HA GLY 59 -6.340 7.604 1.896 393 2HA GLY 59 2HA GLY 59 -6.200 6.800 0.345 394 H LEU 60 H LEU 60 -3.470 5.984 2.199 395 HA LEU 60 HA LEU 60 -4.338 3.312 2.487 396 1HB LEU 60 1HB LEU 60 -1.969 4.399 2.162 397 2HB LEU 60 2HB LEU 60 -1.961 4.437 3.914 398 HG LEU 60 HG LEU 60 -2.087 2.068 4.078 399 1HD1 LEU 60 1HD1 LEU 60 -2.055 0.864 1.648 400 2HD1 LEU 60 2HD1 LEU 60 -3.518 1.107 2.633 401 3HD1 LEU 60 3HD1 LEU 60 -3.130 2.244 1.320 402 1HD2 LEU 60 1HD2 LEU 60 -0.129 1.338 2.626 403 2HD2 LEU 60 2HD2 LEU 60 -0.144 2.988 1.957 404 3HD2 LEU 60 3HD2 LEU 60 0.139 2.735 3.696 405 H GLN 61 H GLN 61 -3.996 2.172 4.745 406 HA GLN 61 HA GLN 61 -4.742 3.801 6.954 407 1HB GLN 61 1HB GLN 61 -6.889 3.109 5.497 408 2HB GLN 61 2HB GLN 61 -6.725 1.607 6.386 409 1HG GLN 61 1HG GLN 61 -6.392 3.724 8.292 410 2HG GLN 61 2HG GLN 61 -7.774 4.155 7.305 411 1HE2 GLN 61 1HE2 GLN 61 -9.603 2.893 7.281 412 2HE2 GLN 61 2HE2 GLN 61 -9.928 1.651 8.443 413 H ILE 62 H ILE 62 -3.820 2.923 8.773 414 HA ILE 62 HA ILE 62 -2.118 0.852 8.744 415 HB ILE 62 HB ILE 62 -3.850 1.917 10.962 416 1HG1 ILE 62 1HG1 ILE 62 -1.126 2.504 9.873 417 2HG1 ILE 62 2HG1 ILE 62 -2.390 3.604 10.388 418 1HG2 ILE 62 1HG2 ILE 62 -3.233 -0.427 11.464 419 2HG2 ILE 62 2HG2 ILE 62 -1.518 0.006 11.264 420 3HG2 ILE 62 3HG2 ILE 62 -2.477 0.747 12.568 421 1HD1 ILE 62 1HD1 ILE 62 -0.739 1.839 12.255 422 2HD1 ILE 62 2HD1 ILE 62 -0.493 3.583 11.995 423 3HD1 ILE 62 3HD1 ILE 62 -1.991 2.999 12.760 424 H HIS 63 H HIS 63 -2.143 -1.396 9.265 425 HA HIS 63 HA HIS 63 -2.934 -3.442 9.250 426 1HB HIS 63 1HB HIS 63 -5.607 -2.279 10.076 427 2HB HIS 63 2HB HIS 63 -5.094 -3.946 10.243 428 HD1 HIS 63 HD1 HIS 63 -2.333 -3.665 11.526 429 HD2 HIS 63 HD2 HIS 63 -5.639 -1.335 12.638 430 HE1 HIS 63 HE1 HIS 63 -1.865 -2.847 13.897 431 H ASP 64 H ASP 64 -2.581 -2.517 6.803 432 HA ASP 64 HA ASP 64 -5.077 -3.112 5.419 433 1HB ASP 64 1HB ASP 64 -4.499 -1.587 3.756 434 2HB ASP 64 2HB ASP 64 -3.760 -0.820 5.148 435 H ARG 65 H ARG 65 -4.528 -4.093 3.080 436 HA ARG 65 HA ARG 65 -2.199 -5.810 3.326 437 1HB ARG 65 1HB ARG 65 -4.457 -6.966 3.888 438 2HB ARG 65 2HB ARG 65 -4.868 -6.770 2.196 439 1HG ARG 65 1HG ARG 65 -2.783 -8.029 1.562 440 2HG ARG 65 2HG ARG 65 -2.420 -8.257 3.261 441 1HD ARG 65 1HD ARG 65 -4.128 -9.816 3.569 442 2HD ARG 65 2HD ARG 65 -5.162 -9.092 2.355 443 HE ARG 65 HE ARG 65 -2.729 -10.261 1.224 444 1HH1 ARG 65 1HH1 ARG 65 -6.028 -10.928 2.249 445 2HH1 ARG 65 2HH1 ARG 65 -6.196 -12.325 1.237 446 1HH2 ARG 65 1HH2 ARG 65 -2.949 -12.103 -0.111 447 2HH2 ARG 65 2HH2 ARG 65 -4.433 -12.997 -0.114 448 H ILE 66 H ILE 66 -1.142 -4.328 1.814 449 HA ILE 66 HA ILE 66 -2.189 -3.408 -0.539 450 HB ILE 66 HB ILE 66 0.672 -4.269 -0.136 451 1HG1 ILE 66 1HG1 ILE 66 -0.884 -2.041 1.124 452 2HG1 ILE 66 2HG1 ILE 66 0.347 -3.078 1.816 453 1HG2 ILE 66 1HG2 ILE 66 -0.574 -2.038 -1.766 454 2HG2 ILE 66 2HG2 ILE 66 1.168 -2.359 -1.592 455 3HG2 ILE 66 3HG2 ILE 66 0.120 -3.550 -2.399 456 1HD1 ILE 66 1HD1 ILE 66 0.719 -0.719 -0.061 457 2HD1 ILE 66 2HD1 ILE 66 1.436 -0.982 1.547 458 3HD1 ILE 66 3HD1 ILE 66 1.998 -1.939 0.155 459 H ILE 67 H ILE 67 -2.619 -4.225 -2.555 460 HA ILE 67 HA ILE 67 -2.115 -7.099 -2.855 461 HB ILE 67 HB ILE 67 -4.115 -5.532 -4.447 462 1HG1 ILE 67 1HG1 ILE 67 -4.321 -5.221 -1.855 463 2HG1 ILE 67 2HG1 ILE 67 -5.738 -5.571 -2.825 464 1HG2 ILE 67 1HG2 ILE 67 -3.850 -7.668 -5.332 465 2HG2 ILE 67 2HG2 ILE 67 -3.666 -8.421 -3.730 466 3HG2 ILE 67 3HG2 ILE 67 -5.262 -7.838 -4.261 467 1HD1 ILE 67 1HD1 ILE 67 -5.017 -6.999 -0.597 468 2HD1 ILE 67 2HD1 ILE 67 -6.016 -7.658 -1.915 469 3HD1 ILE 67 3HD1 ILE 67 -4.266 -7.981 -1.877 470 H GLU 68 H GLU 68 -1.901 -3.866 -4.414 471 HA GLU 68 HA GLU 68 0.243 -4.922 -6.011 472 1HB GLU 68 1HB GLU 68 -2.348 -4.694 -7.123 473 2HB GLU 68 2HB GLU 68 -1.486 -3.290 -7.718 474 1HG GLU 68 1HG GLU 68 -0.434 -4.606 -9.232 475 2HG GLU 68 2HG GLU 68 0.356 -5.456 -7.919 476 H VAL 69 H VAL 69 1.674 -3.236 -6.821 477 HA VAL 69 HA VAL 69 1.014 -0.535 -5.933 478 HB VAL 69 HB VAL 69 2.475 -2.079 -4.315 479 1HG1 VAL 69 1HG1 VAL 69 4.179 -2.513 -6.082 480 2HG1 VAL 69 2HG1 VAL 69 4.566 -0.776 -6.088 481 3HG1 VAL 69 3HG1 VAL 69 4.852 -1.746 -4.623 482 1HG2 VAL 69 1HG2 VAL 69 1.836 0.577 -4.470 483 2HG2 VAL 69 2HG2 VAL 69 2.773 -0.169 -3.154 484 3HG2 VAL 69 3HG2 VAL 69 3.614 0.637 -4.499 485 H ASN 70 H ASN 70 1.197 0.744 -7.692 486 HA ASN 70 HA ASN 70 1.914 1.596 -9.551 487 1HB ASN 70 1HB ASN 70 4.207 1.342 -8.245 488 2HB ASN 70 2HB ASN 70 4.530 0.046 -9.380 489 1HD2 ASN 70 1HD2 ASN 70 4.074 3.458 -8.927 490 2HD2 ASN 70 2HD2 ASN 70 4.628 4.001 -10.476 491 H GLY 71 H GLY 71 0.931 -1.399 -9.210 492 1HA GLY 71 1HA GLY 71 0.057 -2.669 -10.973 493 2HA GLY 71 2HA GLY 71 1.347 -2.123 -12.026 494 H ARG 72 H ARG 72 2.680 -2.784 -8.966 495 HA ARG 72 HA ARG 72 3.635 -5.314 -9.987 496 1HB ARG 72 1HB ARG 72 4.831 -3.123 -8.550 497 2HB ARG 72 2HB ARG 72 4.910 -4.523 -7.499 498 1HG ARG 72 1HG ARG 72 5.758 -5.778 -9.680 499 2HG ARG 72 2HG ARG 72 6.110 -4.162 -10.258 500 1HD ARG 72 1HD ARG 72 7.352 -3.815 -7.982 501 2HD ARG 72 2HD ARG 72 7.257 -5.556 -7.807 502 HE ARG 72 HE ARG 72 9.023 -4.106 -9.588 503 1HH1 ARG 72 1HH1 ARG 72 7.209 -7.106 -9.286 504 2HH1 ARG 72 2HH1 ARG 72 8.255 -7.994 -10.342 505 1HH2 ARG 72 1HH2 ARG 72 10.404 -5.278 -10.981 506 2HH2 ARG 72 2HH2 ARG 72 10.085 -6.947 -11.313 507 H ASP 73 H ASP 73 2.960 -7.247 -9.084 508 HA ASP 73 HA ASP 73 1.045 -7.131 -7.010 509 1HB ASP 73 1HB ASP 73 1.166 -8.797 -8.977 510 2HB ASP 73 2HB ASP 73 2.462 -9.598 -8.112 511 H LEU 74 H LEU 74 1.528 -7.191 -4.808 512 HA LEU 74 HA LEU 74 4.086 -8.418 -4.049 513 1HB LEU 74 1HB LEU 74 2.850 -6.067 -2.635 514 2HB LEU 74 2HB LEU 74 4.457 -6.736 -2.435 515 HG LEU 74 HG LEU 74 3.468 -5.334 -4.934 516 1HD1 LEU 74 1HD1 LEU 74 4.875 -4.339 -2.484 517 2HD1 LEU 74 2HD1 LEU 74 5.259 -3.620 -4.067 518 3HD1 LEU 74 3HD1 LEU 74 3.588 -3.582 -3.454 519 1HD2 LEU 74 1HD2 LEU 74 5.640 -5.486 -5.801 520 2HD2 LEU 74 2HD2 LEU 74 6.332 -5.972 -4.235 521 3HD2 LEU 74 3HD2 LEU 74 5.303 -7.105 -5.144 522 H SER 75 H SER 75 0.835 -8.850 -4.121 523 HA SER 75 HA SER 75 0.000 -9.239 -1.582 524 1HB SER 75 1HB SER 75 -1.407 -9.487 -3.620 525 2HB SER 75 2HB SER 75 -0.590 -10.987 -4.013 526 HG SER 75 HG SER 75 -1.386 -11.871 -1.970 527 H ARG 76 H ARG 76 2.094 -11.326 -3.621 528 HA ARG 76 HA ARG 76 2.342 -13.098 -1.326 529 1HB ARG 76 1HB ARG 76 3.042 -14.852 -2.918 530 2HB ARG 76 2HB ARG 76 1.500 -14.187 -3.417 531 1HG ARG 76 1HG ARG 76 2.669 -12.693 -5.049 532 2HG ARG 76 2HG ARG 76 4.214 -13.351 -4.547 533 1HD ARG 76 1HD ARG 76 3.402 -15.655 -5.240 534 2HD ARG 76 2HD ARG 76 1.934 -14.917 -5.848 535 HE ARG 76 HE ARG 76 4.199 -13.554 -6.972 536 1HH1 ARG 76 1HH1 ARG 76 2.487 -16.621 -7.179 537 2HH1 ARG 76 2HH1 ARG 76 2.958 -16.919 -8.820 538 1HH2 ARG 76 1HH2 ARG 76 4.820 -13.946 -9.136 539 2HH2 ARG 76 2HH2 ARG 76 4.294 -15.387 -9.940 540 H ALA 77 H ALA 77 3.736 -10.443 -1.977 541 HA ALA 77 HA ALA 77 6.472 -11.385 -2.389 542 1HB ALA 77 1HB ALA 77 5.729 -9.538 -3.800 543 2HB ALA 77 2HB ALA 77 5.217 -8.610 -2.370 544 3HB ALA 77 3HB ALA 77 6.944 -8.943 -2.643 545 H THR 78 H THR 78 8.144 -10.095 -0.962 546 HA THR 78 HA THR 78 7.152 -10.259 1.805 547 HB THR 78 HB THR 78 8.887 -11.935 1.131 548 HG1 THR 78 HG1 THR 78 10.008 -9.730 2.698 549 1HG2 THR 78 1HG2 THR 78 10.021 -10.274 -0.558 550 2HG2 THR 78 2HG2 THR 78 10.802 -9.578 0.882 551 3HG2 THR 78 3HG2 THR 78 11.087 -11.281 0.451 552 H HIS 79 H HIS 79 8.426 -8.822 3.375 553 HA HIS 79 HA HIS 79 7.867 -6.216 2.792 554 1HB HIS 79 1HB HIS 79 8.214 -7.113 5.045 555 2HB HIS 79 2HB HIS 79 9.923 -7.327 4.723 556 HD1 HIS 79 HD1 HIS 79 11.445 -5.360 5.186 557 HD2 HIS 79 HD2 HIS 79 7.391 -4.284 5.088 558 HE1 HIS 79 HE1 HIS 79 11.331 -2.930 5.956 559 H ASP 80 H ASP 80 10.915 -8.062 2.285 560 HA ASP 80 HA ASP 80 12.525 -5.947 1.652 561 1HB ASP 80 1HB ASP 80 12.617 -8.791 1.523 562 2HB ASP 80 2HB ASP 80 13.033 -8.242 -0.088 563 H GLN 81 H GLN 81 10.512 -8.100 -0.491 564 HA GLN 81 HA GLN 81 11.148 -6.770 -2.842 565 1HB GLN 81 1HB GLN 81 8.990 -8.683 -1.969 566 2HB GLN 81 2HB GLN 81 8.803 -7.877 -3.514 567 1HG GLN 81 1HG GLN 81 11.540 -8.835 -3.256 568 2HG GLN 81 2HG GLN 81 10.433 -10.150 -2.915 569 1HE2 GLN 81 1HE2 GLN 81 8.657 -10.508 -4.444 570 2HE2 GLN 81 2HE2 GLN 81 8.930 -10.263 -6.137 571 H ALA 82 H ALA 82 8.319 -6.483 -0.593 572 HA ALA 82 HA ALA 82 6.830 -4.668 -1.986 573 1HB ALA 82 1HB ALA 82 7.256 -5.365 0.893 574 2HB ALA 82 2HB ALA 82 6.372 -3.861 0.539 575 3HB ALA 82 3HB ALA 82 5.771 -5.415 -0.088 576 H VAL 83 H VAL 83 9.509 -3.994 0.373 577 HA VAL 83 HA VAL 83 9.427 -1.243 0.185 578 HB VAL 83 HB VAL 83 11.614 -3.230 0.761 579 1HG1 VAL 83 1HG1 VAL 83 12.658 -1.207 -0.204 580 2HG1 VAL 83 2HG1 VAL 83 11.826 -0.210 1.013 581 3HG1 VAL 83 3HG1 VAL 83 13.043 -1.406 1.522 582 1HG2 VAL 83 1HG2 VAL 83 9.835 -3.079 2.417 583 2HG2 VAL 83 2HG2 VAL 83 11.335 -2.379 3.070 584 3HG2 VAL 83 3HG2 VAL 83 10.028 -1.312 2.503 585 H GLU 84 H GLU 84 11.484 -3.583 -1.690 586 HA GLU 84 HA GLU 84 12.738 -1.762 -3.253 587 1HB GLU 84 1HB GLU 84 13.313 -4.147 -3.226 588 2HB GLU 84 2HB GLU 84 11.781 -4.568 -3.966 589 1HG GLU 84 1HG GLU 84 12.433 -3.850 -6.074 590 2HG GLU 84 2HG GLU 84 13.434 -2.555 -5.448 591 H ALA 85 H ALA 85 9.525 -3.339 -3.795 592 HA ALA 85 HA ALA 85 9.000 -2.310 -6.296 593 1HB ALA 85 1HB ALA 85 7.546 -3.969 -5.497 594 2HB ALA 85 2HB ALA 85 7.308 -3.148 -3.936 595 3HB ALA 85 3HB ALA 85 6.548 -2.498 -5.409 596 H PHE 86 H PHE 86 8.050 -0.940 -3.061 597 HA PHE 86 HA PHE 86 6.975 1.403 -4.099 598 1HB PHE 86 1HB PHE 86 8.177 0.410 -1.483 599 2HB PHE 86 2HB PHE 86 7.797 2.116 -1.606 600 HD1 PHE 86 HD1 PHE 86 5.379 2.722 -2.304 601 HD2 PHE 86 HD2 PHE 86 6.517 -1.111 -0.881 602 HE1 PHE 86 HE1 PHE 86 2.990 2.234 -1.709 603 HE2 PHE 86 HE2 PHE 86 4.128 -1.599 -0.286 604 HZ PHE 86 HZ PHE 86 2.393 0.079 -0.707 605 H LYS 87 H LYS 87 10.315 0.386 -3.581 606 HA LYS 87 HA LYS 87 11.356 3.051 -3.546 607 1HB LYS 87 1HB LYS 87 12.281 0.473 -2.886 608 2HB LYS 87 2HB LYS 87 13.284 0.996 -4.224 609 1HG LYS 87 1HG LYS 87 13.387 3.290 -2.869 610 2HG LYS 87 2HG LYS 87 12.926 2.285 -1.509 611 1HD LYS 87 1HD LYS 87 14.929 0.745 -2.603 612 2HD LYS 87 2HD LYS 87 15.490 2.347 -3.040 613 1HE LYS 87 1HE LYS 87 16.020 2.881 -0.879 614 2HE LYS 87 2HE LYS 87 14.519 2.228 -0.252 615 1HZ LYS 87 1HZ LYS 87 16.993 0.787 -0.846 616 2HZ LYS 87 2HZ LYS 87 16.169 0.854 0.562 617 3HZ LYS 87 3HZ LYS 87 15.573 -0.006 -0.691 618 H THR 88 H THR 88 11.239 0.324 -5.936 619 HA THR 88 HA THR 88 12.296 2.031 -8.002 620 HB THR 88 HB THR 88 12.308 -0.007 -9.279 621 HG1 THR 88 HG1 THR 88 10.360 -0.812 -7.233 622 1HG2 THR 88 1HG2 THR 88 13.717 -1.177 -7.912 623 2HG2 THR 88 2HG2 THR 88 13.238 -0.102 -6.578 624 3HG2 THR 88 3HG2 THR 88 12.361 -1.627 -6.851 625 H ALA 89 H ALA 89 9.311 1.842 -6.491 626 HA ALA 89 HA ALA 89 7.627 1.953 -8.771 627 1HB ALA 89 1HB ALA 89 6.690 1.236 -6.696 628 2HB ALA 89 2HB ALA 89 7.315 2.663 -5.835 629 3HB ALA 89 3HB ALA 89 5.992 2.842 -7.013 630 H LYS 90 H LYS 90 6.542 3.816 -9.660 631 HA LYS 90 HA LYS 90 7.972 6.322 -9.103 632 1HB LYS 90 1HB LYS 90 7.426 4.910 -11.649 633 2HB LYS 90 2HB LYS 90 7.101 6.631 -11.666 634 1HG LYS 90 1HG LYS 90 9.718 5.390 -10.693 635 2HG LYS 90 2HG LYS 90 9.475 6.035 -12.304 636 1HD LYS 90 1HD LYS 90 8.694 7.891 -10.107 637 2HD LYS 90 2HD LYS 90 10.401 7.498 -10.149 638 1HE LYS 90 1HE LYS 90 10.296 8.041 -12.694 639 2HE LYS 90 2HE LYS 90 8.727 8.750 -12.364 640 1HZ LYS 90 1HZ LYS 90 11.339 9.607 -11.407 641 2HZ LYS 90 2HZ LYS 90 10.147 10.495 -12.083 642 3HZ LYS 90 3HZ LYS 90 10.009 9.984 -10.538 643 H GLU 91 H GLU 91 6.699 8.285 -9.261 644 HA GLU 91 HA GLU 91 3.989 7.753 -8.462 645 1HB GLU 91 1HB GLU 91 5.338 10.472 -8.643 646 2HB GLU 91 2HB GLU 91 3.960 10.023 -7.659 647 1HG GLU 91 1HG GLU 91 5.542 9.801 -6.008 648 2HG GLU 91 2HG GLU 91 5.767 8.213 -6.715 649 HA PRO 92 HA PRO 92 2.294 8.841 -8.303 650 1HB PRO 92 1HB PRO 92 -0.263 8.233 -9.053 651 2HB PRO 92 2HB PRO 92 0.292 9.873 -8.781 652 1HG PRO 92 1HG PRO 92 -0.240 8.497 -11.343 653 2HG PRO 92 2HG PRO 92 -0.103 10.215 -11.027 654 1HD PRO 92 1HD PRO 92 1.874 8.531 -12.245 655 2HD PRO 92 2HD PRO 92 2.053 10.223 -11.824 656 H ILE 93 H ILE 93 2.196 7.133 -6.924 657 HA ILE 93 HA ILE 93 2.560 4.592 -8.284 658 HB ILE 93 HB ILE 93 2.879 5.412 -5.395 659 1HG1 ILE 93 1HG1 ILE 93 5.120 4.628 -7.235 660 2HG1 ILE 93 2HG1 ILE 93 4.479 6.257 -7.304 661 1HG2 ILE 93 1HG2 ILE 93 3.123 3.281 -4.809 662 2HG2 ILE 93 2HG2 ILE 93 2.428 2.849 -6.389 663 3HG2 ILE 93 3HG2 ILE 93 4.194 2.947 -6.190 664 1HD1 ILE 93 1HD1 ILE 93 5.167 5.056 -4.613 665 2HD1 ILE 93 2HD1 ILE 93 6.460 5.706 -5.649 666 3HD1 ILE 93 3HD1 ILE 93 5.139 6.767 -5.104 667 H VAL 94 H VAL 94 0.781 3.441 -8.799 668 HA VAL 94 HA VAL 94 -1.656 3.904 -7.323 669 HB VAL 94 HB VAL 94 -0.982 2.131 -9.680 670 1HG1 VAL 94 1HG1 VAL 94 -2.969 1.427 -8.238 671 2HG1 VAL 94 2HG1 VAL 94 -3.751 2.938 -8.760 672 3HG1 VAL 94 3HG1 VAL 94 -3.295 1.710 -9.965 673 1HG2 VAL 94 1HG2 VAL 94 -2.680 4.596 -9.862 674 2HG2 VAL 94 2HG2 VAL 94 -0.910 4.773 -9.783 675 3HG2 VAL 94 3HG2 VAL 94 -1.653 3.822 -11.092 676 H VAL 95 H VAL 95 -1.952 2.906 -5.399 677 HA VAL 95 HA VAL 95 -0.911 0.165 -5.173 678 HB VAL 95 HB VAL 95 -1.523 1.702 -2.728 679 1HG1 VAL 95 1HG1 VAL 95 1.064 0.677 -2.610 680 2HG1 VAL 95 2HG1 VAL 95 -0.414 -0.097 -1.989 681 3HG1 VAL 95 3HG1 VAL 95 0.181 -0.495 -3.619 682 1HG2 VAL 95 1HG2 VAL 95 -0.551 3.522 -3.954 683 2HG2 VAL 95 2HG2 VAL 95 0.685 2.901 -2.833 684 3HG2 VAL 95 3HG2 VAL 95 0.762 2.485 -4.562 685 H GLN 96 H GLN 96 -2.258 -1.387 -4.052 686 HA GLN 96 HA GLN 96 -5.012 -0.499 -3.756 687 1HB GLN 96 1HB GLN 96 -5.041 -1.566 -5.899 688 2HB GLN 96 2HB GLN 96 -3.997 -2.867 -5.363 689 1HG GLN 96 1HG GLN 96 -5.768 -4.090 -4.643 690 2HG GLN 96 2HG GLN 96 -6.356 -2.763 -3.661 691 1HE2 GLN 96 1HE2 GLN 96 -6.198 -3.985 -6.981 692 2HE2 GLN 96 2HE2 GLN 96 -7.710 -3.343 -7.533 693 H VAL 97 H VAL 97 -6.138 -1.447 -2.017 694 HA VAL 97 HA VAL 97 -4.641 -3.473 -0.512 695 HB VAL 97 HB VAL 97 -5.160 -2.364 1.541 696 1HG1 VAL 97 1HG1 VAL 97 -3.823 -0.729 -0.596 697 2HG1 VAL 97 2HG1 VAL 97 -4.042 -0.040 1.031 698 3HG1 VAL 97 3HG1 VAL 97 -3.120 -1.548 0.820 699 1HG2 VAL 97 1HG2 VAL 97 -6.165 0.055 1.309 700 2HG2 VAL 97 2HG2 VAL 97 -6.856 -0.595 -0.197 701 3HG2 VAL 97 3HG2 VAL 97 -7.238 -1.365 1.361 702 H LEU 98 H LEU 98 -6.132 -4.630 1.103 703 HA LEU 98 HA LEU 98 -8.764 -4.926 -0.169 704 1HB LEU 98 1HB LEU 98 -6.695 -6.820 0.450 705 2HB LEU 98 2HB LEU 98 -8.130 -7.205 1.378 706 HG LEU 98 HG LEU 98 -9.462 -7.447 -0.593 707 1HD1 LEU 98 1HD1 LEU 98 -7.748 -7.191 -2.789 708 2HD1 LEU 98 2HD1 LEU 98 -9.097 -6.121 -2.337 709 3HD1 LEU 98 3HD1 LEU 98 -7.445 -5.749 -1.790 710 1HD2 LEU 98 1HD2 LEU 98 -7.747 -9.049 -1.942 711 2HD2 LEU 98 2HD2 LEU 98 -6.887 -8.888 -0.392 712 3HD2 LEU 98 3HD2 LEU 98 -8.557 -9.502 -0.423 713 H ARG 99 H ARG 99 -10.283 -3.886 1.006 714 HA ARG 99 HA ARG 99 -9.873 -3.824 3.874 715 1HB ARG 99 1HB ARG 99 -10.939 -1.952 1.909 716 2HB ARG 99 2HB ARG 99 -12.160 -2.260 3.128 717 1HG ARG 99 1HG ARG 99 -10.757 -0.370 3.835 718 2HG ARG 99 2HG ARG 99 -10.511 -1.719 4.926 719 1HD ARG 99 1HD ARG 99 -8.288 -1.674 4.476 720 2HD ARG 99 2HD ARG 99 -8.620 -2.050 2.797 721 HE ARG 99 HE ARG 99 -8.019 0.143 2.313 722 1HH1 ARG 99 1HH1 ARG 99 -9.450 0.079 5.527 723 2HH1 ARG 99 2HH1 ARG 99 -9.264 1.782 5.783 724 1HH2 ARG 99 1HH2 ARG 99 -7.772 2.389 2.650 725 2HH2 ARG 99 2HH2 ARG 99 -8.303 3.105 4.136 726 H ARG 100 H ARG 100 -11.155 -5.085 5.206 727 HA ARG 100 HA ARG 100 -13.699 -5.942 4.114 728 1HB ARG 100 1HB ARG 100 -13.276 -8.243 5.119 729 2HB ARG 100 2HB ARG 100 -12.251 -7.861 3.750 730 1HG ARG 100 1HG ARG 100 -11.097 -6.987 6.335 731 2HG ARG 100 2HG ARG 100 -11.365 -8.717 6.257 732 1HD ARG 100 1HD ARG 100 -9.397 -8.840 5.114 733 2HD ARG 100 2HD ARG 100 -10.262 -8.167 3.746 734 HE ARG 100 HE ARG 100 -9.196 -6.106 4.101 735 1HH1 ARG 100 1HH1 ARG 100 -8.782 -8.142 6.940 736 2HH1 ARG 100 2HH1 ARG 100 -7.648 -7.075 7.698 737 1HH2 ARG 100 1HH2 ARG 100 -7.700 -4.697 5.100 738 2HH2 ARG 100 2HH2 ARG 100 -7.029 -5.101 6.645 739 H THR 101 H THR 101 -15.377 -5.930 5.651 740 HA THR 101 HA THR 101 -15.053 -4.495 7.996 741 HB THR 101 HB THR 101 -17.237 -4.647 7.043 742 HG1 THR 101 HG1 THR 101 -18.347 -5.918 8.808 743 1HG2 THR 101 1HG2 THR 101 -18.064 -7.336 7.324 744 2HG2 THR 101 2HG2 THR 101 -17.750 -6.494 5.787 745 3HG2 THR 101 3HG2 THR 101 -16.460 -7.446 6.561 746 H SER 102 H SER 102 -14.066 -4.904 9.863 747 HA SER 102 HA SER 102 -14.463 -7.322 11.191 748 1HB SER 102 1HB SER 102 -12.690 -7.888 9.343 749 2HB SER 102 2HB SER 102 -11.574 -6.968 10.333 750 HG SER 102 HG SER 102 -13.118 -8.887 11.723 751 H GLY 103 H GLY 103 -14.440 -6.697 13.321 752 1HA GLY 103 1HA GLY 103 -12.886 -5.826 15.057 753 2HA GLY 103 2HA GLY 103 -12.703 -4.411 14.039 754 HA PRO 104 HA PRO 104 -16.773 -4.403 16.482 755 1HB PRO 104 1HB PRO 104 -16.238 -4.525 19.159 756 2HB PRO 104 2HB PRO 104 -16.784 -5.905 18.227 757 1HG PRO 104 1HG PRO 104 -14.074 -5.313 19.250 758 2HG PRO 104 2HG PRO 104 -14.731 -6.843 18.702 759 1HD PRO 104 1HD PRO 104 -12.941 -5.128 17.258 760 2HD PRO 104 2HD PRO 104 -13.690 -6.599 16.667 761 H SER 105 H SER 105 -17.498 -2.787 18.422 762 HA SER 105 HA SER 105 -15.766 -0.485 17.965 763 1HB SER 105 1HB SER 105 -17.698 0.948 17.808 764 2HB SER 105 2HB SER 105 -17.966 -0.397 16.717 765 HG SER 105 HG SER 105 -19.103 -0.014 19.350 766 H SER 106 H SER 106 -15.346 0.852 19.785 767 HA SER 106 HA SER 106 -16.468 -0.184 22.271 768 1HB SER 106 1HB SER 106 -13.686 0.806 21.589 769 2HB SER 106 2HB SER 106 -14.259 0.872 23.244 770 HG SER 106 HG SER 106 -13.076 -1.164 22.320 771 H GLY 107 H GLY 107 -17.154 1.367 23.851 772 1HA GLY 107 1HA GLY 107 -17.107 4.180 22.940 773 2HA GLY 107 2HA GLY 107 -18.563 3.415 23.546 Start of MODEL 8 1 1H GLY 1 1H GLY 1 -5.044 -16.491 11.321 2 1HA GLY 1 1HA GLY 1 -4.072 -18.876 10.648 3 2HA GLY 1 2HA GLY 1 -5.723 -19.308 11.048 4 H SER 2 H SER 2 -6.370 -19.830 8.914 5 HA SER 2 HA SER 2 -5.967 -17.850 6.882 6 1HB SER 2 1HB SER 2 -6.184 -20.619 6.876 7 2HB SER 2 2HB SER 2 -7.761 -20.134 6.283 8 HG SER 2 HG SER 2 -6.649 -18.800 4.666 9 H SER 3 H SER 3 -7.380 -16.169 6.587 10 HA SER 3 HA SER 3 -10.173 -16.686 6.712 11 1HB SER 3 1HB SER 3 -8.812 -15.535 9.018 12 2HB SER 3 2HB SER 3 -9.940 -14.371 8.350 13 HG SER 3 HG SER 3 -10.753 -16.007 10.007 14 H GLY 4 H GLY 4 -10.430 -15.908 4.611 15 1HA GLY 4 1HA GLY 4 -9.648 -13.089 4.178 16 2HA GLY 4 2HA GLY 4 -9.374 -14.329 2.970 17 H SER 5 H SER 5 -12.123 -13.371 5.163 18 HA SER 5 HA SER 5 -14.142 -14.284 3.658 19 1HB SER 5 1HB SER 5 -15.519 -12.419 4.688 20 2HB SER 5 2HB SER 5 -14.573 -13.349 5.833 21 HG SER 5 HG SER 5 -12.953 -11.376 5.071 22 H SER 6 H SER 6 -15.686 -13.205 2.142 23 HA SER 6 HA SER 6 -14.426 -12.160 -0.029 24 1HB SER 6 1HB SER 6 -17.256 -12.333 0.925 25 2HB SER 6 2HB SER 6 -16.958 -11.185 -0.365 26 HG SER 6 HG SER 6 -17.435 -13.646 -0.806 27 H GLY 7 H GLY 7 -13.144 -10.325 0.079 28 1HA GLY 7 1HA GLY 7 -14.283 -7.956 1.426 29 2HA GLY 7 2HA GLY 7 -12.577 -8.289 1.202 30 H LYS 8 H LYS 8 -12.747 -5.973 0.290 31 HA LYS 8 HA LYS 8 -13.254 -6.208 -2.586 32 1HB LYS 8 1HB LYS 8 -14.764 -4.640 -0.766 33 2HB LYS 8 2HB LYS 8 -13.766 -3.524 -1.676 34 1HG LYS 8 1HG LYS 8 -15.543 -3.709 -3.156 35 2HG LYS 8 2HG LYS 8 -14.551 -5.024 -3.755 36 1HD LYS 8 1HD LYS 8 -15.876 -6.473 -1.962 37 2HD LYS 8 2HD LYS 8 -17.039 -5.165 -2.033 38 1HE LYS 8 1HE LYS 8 -17.460 -5.510 -4.374 39 2HE LYS 8 2HE LYS 8 -16.017 -6.484 -4.577 40 1HZ LYS 8 1HZ LYS 8 -18.573 -7.308 -3.816 41 2HZ LYS 8 2HZ LYS 8 -17.267 -8.227 -4.156 42 3HZ LYS 8 3HZ LYS 8 -17.523 -7.704 -2.630 43 H SER 9 H SER 9 -11.891 -4.823 -3.914 44 HA SER 9 HA SER 9 -9.461 -4.133 -2.463 45 1HB SER 9 1HB SER 9 -8.213 -4.638 -4.438 46 2HB SER 9 2HB SER 9 -9.369 -5.943 -4.264 47 HG SER 9 HG SER 9 -9.048 -4.243 -6.359 48 H LEU 10 H LEU 10 -9.098 -1.960 -2.224 49 HA LEU 10 HA LEU 10 -10.425 -0.180 -4.140 50 1HB LEU 10 1HB LEU 10 -9.488 0.312 -1.310 51 2HB LEU 10 2HB LEU 10 -10.172 1.531 -2.368 52 HG LEU 10 HG LEU 10 -12.310 0.398 -2.406 53 1HD1 LEU 10 1HD1 LEU 10 -10.791 -1.811 -1.072 54 2HD1 LEU 10 2HD1 LEU 10 -12.522 -1.604 -0.715 55 3HD1 LEU 10 3HD1 LEU 10 -11.985 -1.874 -2.391 56 1HD2 LEU 10 1HD2 LEU 10 -13.017 0.801 -0.178 57 2HD2 LEU 10 2HD2 LEU 10 -11.393 0.476 0.475 58 3HD2 LEU 10 3HD2 LEU 10 -11.684 1.935 -0.503 59 H THR 11 H THR 11 -9.241 1.573 -5.075 60 HA THR 11 HA THR 11 -6.360 1.019 -5.158 61 HB THR 11 HB THR 11 -7.867 2.837 -7.062 62 HG1 THR 11 HG1 THR 11 -8.570 0.868 -8.112 63 1HG2 THR 11 1HG2 THR 11 -5.402 2.465 -7.376 64 2HG2 THR 11 2HG2 THR 11 -5.691 0.709 -7.424 65 3HG2 THR 11 3HG2 THR 11 -6.344 1.754 -8.708 66 H LEU 12 H LEU 12 -4.807 2.550 -4.702 67 HA LEU 12 HA LEU 12 -5.732 5.201 -3.963 68 1HB LEU 12 1HB LEU 12 -3.951 4.460 -1.917 69 2HB LEU 12 2HB LEU 12 -5.642 4.901 -1.789 70 HG LEU 12 HG LEU 12 -5.944 2.317 -2.480 71 1HD1 LEU 12 1HD1 LEU 12 -4.130 1.057 -2.311 72 2HD1 LEU 12 2HD1 LEU 12 -3.158 2.515 -1.998 73 3HD1 LEU 12 3HD1 LEU 12 -3.868 1.610 -0.639 74 1HD2 LEU 12 1HD2 LEU 12 -6.013 3.865 -0.038 75 2HD2 LEU 12 2HD2 LEU 12 -7.064 2.533 -0.576 76 3HD2 LEU 12 3HD2 LEU 12 -5.550 2.177 0.290 77 H VAL 13 H VAL 13 -4.185 6.792 -4.338 78 HA VAL 13 HA VAL 13 -1.781 5.798 -5.672 79 HB VAL 13 HB VAL 13 -3.354 8.362 -5.768 80 1HG1 VAL 13 1HG1 VAL 13 -0.577 7.874 -6.895 81 2HG1 VAL 13 2HG1 VAL 13 -1.621 9.254 -7.312 82 3HG1 VAL 13 3HG1 VAL 13 -1.032 9.054 -5.644 83 1HG2 VAL 13 1HG2 VAL 13 -3.203 7.804 -8.267 84 2HG2 VAL 13 2HG2 VAL 13 -2.617 6.204 -7.754 85 3HG2 VAL 13 3HG2 VAL 13 -4.234 6.760 -7.259 86 H LEU 14 H LEU 14 0.058 5.716 -4.499 87 HA LEU 14 HA LEU 14 0.259 7.565 -2.231 88 1HB LEU 14 1HB LEU 14 1.670 4.936 -2.709 89 2HB LEU 14 2HB LEU 14 1.855 5.964 -1.302 90 HG LEU 14 HG LEU 14 -0.646 4.475 -2.141 91 1HD1 LEU 14 1HD1 LEU 14 0.008 2.820 -0.812 92 2HD1 LEU 14 2HD1 LEU 14 1.596 3.617 -0.706 93 3HD1 LEU 14 3HD1 LEU 14 0.353 3.943 0.525 94 1HD2 LEU 14 1HD2 LEU 14 -0.207 6.532 0.020 95 2HD2 LEU 14 2HD2 LEU 14 -1.490 6.449 -1.212 96 3HD2 LEU 14 3HD2 LEU 14 -1.481 5.295 0.143 97 H HIS 15 H HIS 15 2.388 8.545 -1.812 98 HA HIS 15 HA HIS 15 4.084 8.619 -4.183 99 1HB HIS 15 1HB HIS 15 3.489 11.181 -2.745 100 2HB HIS 15 2HB HIS 15 4.075 10.928 -4.377 101 HD1 HIS 15 HD1 HIS 15 2.367 11.092 -6.210 102 HD2 HIS 15 HD2 HIS 15 0.620 10.393 -2.460 103 HE1 HIS 15 HE1 HIS 15 -0.157 11.230 -6.560 104 H ARG 16 H ARG 16 6.246 9.778 -3.615 105 HA ARG 16 HA ARG 16 6.847 9.303 -0.815 106 1HB ARG 16 1HB ARG 16 9.148 8.429 -1.684 107 2HB ARG 16 2HB ARG 16 7.775 7.347 -1.806 108 1HG ARG 16 1HG ARG 16 7.448 8.385 -4.201 109 2HG ARG 16 2HG ARG 16 9.090 8.968 -4.013 110 1HD ARG 16 1HD ARG 16 9.763 6.543 -3.447 111 2HD ARG 16 2HD ARG 16 8.153 6.064 -3.947 112 HE ARG 16 HE ARG 16 8.808 6.335 -6.171 113 1HH1 ARG 16 1HH1 ARG 16 10.983 8.192 -4.121 114 2HH1 ARG 16 2HH1 ARG 16 12.032 8.643 -5.423 115 1HH2 ARG 16 1HH2 ARG 16 10.192 6.929 -7.890 116 2HH2 ARG 16 2HH2 ARG 16 11.579 7.920 -7.582 117 H ASP 17 H ASP 17 7.466 11.292 -0.022 118 HA ASP 17 HA ASP 17 8.588 13.190 -1.851 119 1HB ASP 17 1HB ASP 17 6.922 13.971 -0.239 120 2HB ASP 17 2HB ASP 17 7.832 13.303 1.101 121 H SER 18 H SER 18 10.671 12.006 -2.204 122 HA SER 18 HA SER 18 12.853 12.057 -1.874 123 1HB SER 18 1HB SER 18 12.188 13.896 0.018 124 2HB SER 18 2HB SER 18 12.782 12.625 1.068 125 HG SER 18 HG SER 18 14.810 12.915 0.361 126 H GLY 19 H GLY 19 11.816 9.702 -2.086 127 1HA GLY 19 1HA GLY 19 11.890 7.530 -1.515 128 2HA GLY 19 2HA GLY 19 13.329 7.931 -0.598 129 H SER 20 H SER 20 10.088 9.331 0.044 130 HA SER 20 HA SER 20 9.934 7.633 2.401 131 1HB SER 20 1HB SER 20 10.802 10.125 2.725 132 2HB SER 20 2HB SER 20 9.106 10.535 2.564 133 HG SER 20 HG SER 20 9.395 8.404 4.285 134 H LEU 21 H LEU 21 8.258 6.365 1.466 135 HA LEU 21 HA LEU 21 6.123 7.414 0.025 136 1HB LEU 21 1HB LEU 21 6.738 4.860 1.425 137 2HB LEU 21 2HB LEU 21 5.069 5.163 0.985 138 HG LEU 21 HG LEU 21 6.170 3.844 -0.721 139 1HD1 LEU 21 1HD1 LEU 21 6.057 5.989 -2.522 140 2HD1 LEU 21 2HD1 LEU 21 4.748 4.864 -2.086 141 3HD1 LEU 21 3HD1 LEU 21 4.925 6.406 -1.213 142 1HD2 LEU 21 1HD2 LEU 21 7.948 5.378 -2.091 143 2HD2 LEU 21 2HD2 LEU 21 8.297 5.866 -0.415 144 3HD2 LEU 21 3HD2 LEU 21 8.389 4.150 -0.880 145 H GLY 22 H GLY 22 6.669 6.971 3.538 146 1HA GLY 22 1HA GLY 22 5.662 8.459 5.071 147 2HA GLY 22 2HA GLY 22 4.277 8.621 4.011 148 H PHE 23 H PHE 23 5.815 5.462 4.646 149 HA PHE 23 HA PHE 23 4.158 4.744 6.803 150 1HB PHE 23 1HB PHE 23 2.493 3.452 5.635 151 2HB PHE 23 2HB PHE 23 2.609 4.911 4.671 152 HD1 PHE 23 HD1 PHE 23 4.977 4.516 3.056 153 HD2 PHE 23 HD2 PHE 23 2.031 1.692 4.218 154 HE1 PHE 23 HE1 PHE 23 5.502 3.133 1.027 155 HE2 PHE 23 HE2 PHE 23 2.556 0.309 2.190 156 HZ PHE 23 HZ PHE 23 4.285 1.046 0.619 157 H ASN 24 H ASN 24 4.049 2.076 6.760 158 HA ASN 24 HA ASN 24 6.615 1.182 5.739 159 1HB ASN 24 1HB ASN 24 5.909 1.565 8.535 160 2HB ASN 24 2HB ASN 24 6.111 -0.152 8.248 161 1HD2 ASN 24 1HD2 ASN 24 8.066 -0.957 8.316 162 2HD2 ASN 24 2HD2 ASN 24 9.560 -0.091 8.179 163 H ILE 25 H ILE 25 6.567 -1.467 6.598 164 HA ILE 25 HA ILE 25 3.906 -2.529 6.232 165 HB ILE 25 HB ILE 25 4.993 -4.070 4.396 166 1HG1 ILE 25 1HG1 ILE 25 6.457 -1.472 3.868 167 2HG1 ILE 25 2HG1 ILE 25 7.212 -2.866 4.615 168 1HG2 ILE 25 1HG2 ILE 25 3.893 -1.296 3.865 169 2HG2 ILE 25 2HG2 ILE 25 3.999 -2.613 2.672 170 3HG2 ILE 25 3HG2 ILE 25 2.955 -2.790 4.103 171 1HD1 ILE 25 1HD1 ILE 25 7.718 -3.293 2.387 172 2HD1 ILE 25 2HD1 ILE 25 6.162 -4.149 2.506 173 3HD1 ILE 25 3HD1 ILE 25 6.229 -2.519 1.792 174 H ILE 26 H ILE 26 3.892 -4.934 6.601 175 HA ILE 26 HA ILE 26 6.247 -5.767 8.137 176 HB ILE 26 HB ILE 26 4.999 -6.474 9.944 177 1HG1 ILE 26 1HG1 ILE 26 2.425 -6.097 8.389 178 2HG1 ILE 26 2HG1 ILE 26 3.252 -7.631 8.567 179 1HG2 ILE 26 1HG2 ILE 26 3.976 -4.545 10.792 180 2HG2 ILE 26 2HG2 ILE 26 5.147 -3.942 9.595 181 3HG2 ILE 26 3HG2 ILE 26 3.417 -4.021 9.186 182 1HD1 ILE 26 1HD1 ILE 26 2.944 -7.639 10.961 183 2HD1 ILE 26 2HD1 ILE 26 2.422 -5.937 10.960 184 3HD1 ILE 26 3HD1 ILE 26 1.376 -7.190 10.249 185 H GLY 27 H GLY 27 6.203 -8.234 8.496 186 1HA GLY 27 1HA GLY 27 5.328 -10.326 7.706 187 2HA GLY 27 2HA GLY 27 4.944 -9.563 6.176 188 H GLY 28 H GLY 28 6.214 -11.268 5.112 189 1HA GLY 28 1HA GLY 28 8.070 -12.062 4.127 190 2HA GLY 28 2HA GLY 28 8.769 -10.473 4.370 191 H ARG 29 H ARG 29 7.932 -13.435 6.315 192 HA ARG 29 HA ARG 29 9.978 -12.838 8.169 193 1HB ARG 29 1HB ARG 29 8.249 -15.322 7.731 194 2HB ARG 29 2HB ARG 29 9.375 -15.166 9.064 195 1HG ARG 29 1HG ARG 29 7.806 -14.040 10.247 196 2HG ARG 29 2HG ARG 29 7.836 -12.758 9.052 197 1HD ARG 29 1HD ARG 29 5.879 -13.454 8.061 198 2HD ARG 29 2HD ARG 29 6.297 -15.151 8.188 199 HE ARG 29 HE ARG 29 5.743 -14.043 10.806 200 1HH1 ARG 29 1HH1 ARG 29 4.171 -15.181 7.871 201 2HH1 ARG 29 2HH1 ARG 29 2.696 -15.607 8.673 202 1HH2 ARG 29 1HH2 ARG 29 3.799 -14.606 11.865 203 2HH2 ARG 29 2HH2 ARG 29 2.483 -15.278 10.961 204 HA PRO 30 HA PRO 30 13.158 -14.947 6.033 205 1HB PRO 30 1HB PRO 30 15.056 -15.014 7.998 206 2HB PRO 30 2HB PRO 30 14.778 -13.614 6.982 207 1HG PRO 30 1HG PRO 30 14.008 -14.038 9.805 208 2HG PRO 30 2HG PRO 30 14.126 -12.534 8.913 209 1HD PRO 30 1HD PRO 30 11.721 -13.937 9.600 210 2HD PRO 30 2HD PRO 30 11.847 -12.496 8.610 211 H SER 31 H SER 31 11.252 -16.685 6.396 212 HA SER 31 HA SER 31 10.722 -18.717 7.052 213 1HB SER 31 1HB SER 31 13.484 -18.897 5.865 214 2HB SER 31 2HB SER 31 12.793 -20.356 6.547 215 HG SER 31 HG SER 31 10.810 -19.691 5.162 216 H VAL 32 H VAL 32 10.566 -18.080 9.387 217 HA VAL 32 HA VAL 32 12.545 -18.141 11.228 218 HB VAL 32 HB VAL 32 10.278 -17.497 11.710 219 1HG1 VAL 32 1HG1 VAL 32 9.415 -20.393 11.709 220 2HG1 VAL 32 2HG1 VAL 32 8.410 -18.923 11.729 221 3HG1 VAL 32 3HG1 VAL 32 9.292 -19.379 10.251 222 1HG2 VAL 32 1HG2 VAL 32 10.493 -19.825 13.545 223 2HG2 VAL 32 2HG2 VAL 32 11.919 -18.764 13.441 224 3HG2 VAL 32 3HG2 VAL 32 10.338 -18.088 13.902 225 H ASP 33 H ASP 33 10.832 -20.941 9.746 226 HA ASP 33 HA ASP 33 12.969 -22.599 9.873 227 1HB ASP 33 1HB ASP 33 11.924 -22.254 12.475 228 2HB ASP 33 2HB ASP 33 11.254 -23.786 11.951 229 H ASN 34 H ASN 34 12.124 -23.460 7.928 230 HA ASN 34 HA ASN 34 10.446 -25.517 7.907 231 1HB ASN 34 1HB ASN 34 8.905 -23.061 8.241 232 2HB ASN 34 2HB ASN 34 8.512 -23.772 6.689 233 1HD2 ASN 34 1HD2 ASN 34 6.545 -23.667 8.421 234 2HD2 ASN 34 2HD2 ASN 34 6.165 -25.205 9.121 235 H HIS 35 H HIS 35 10.798 -26.404 5.846 236 HA HIS 35 HA HIS 35 11.963 -24.663 3.870 237 1HB HIS 35 1HB HIS 35 12.870 -26.934 4.507 238 2HB HIS 35 2HB HIS 35 11.475 -27.648 3.723 239 HD1 HIS 35 HD1 HIS 35 13.038 -28.809 1.966 240 HD2 HIS 35 HD2 HIS 35 13.160 -24.616 1.910 241 HE1 HIS 35 HE1 HIS 35 14.222 -28.157 -0.198 242 H ASP 36 H ASP 36 9.347 -27.196 3.825 243 HA ASP 36 HA ASP 36 7.508 -27.354 2.689 244 1HB ASP 36 1HB ASP 36 7.674 -24.515 3.416 245 2HB ASP 36 2HB ASP 36 6.779 -24.720 1.923 246 H GLY 37 H GLY 37 6.378 -26.610 0.438 247 1HA GLY 37 1HA GLY 37 8.158 -27.122 -1.638 248 2HA GLY 37 2HA GLY 37 6.539 -26.471 -1.798 249 H SER 38 H SER 38 6.536 -23.984 -0.744 250 HA SER 38 HA SER 38 8.905 -22.582 -1.456 251 1HB SER 38 1HB SER 38 7.933 -21.219 -3.244 252 2HB SER 38 2HB SER 38 7.863 -22.912 -3.692 253 HG SER 38 HG SER 38 5.649 -21.533 -2.442 254 H SER 39 H SER 39 8.762 -21.840 0.737 255 HA SER 39 HA SER 39 6.661 -21.046 2.121 256 1HB SER 39 1HB SER 39 9.426 -19.804 1.937 257 2HB SER 39 2HB SER 39 8.250 -19.214 3.095 258 HG SER 39 HG SER 39 9.451 -20.794 4.161 259 H SER 40 H SER 40 5.627 -18.913 2.590 260 HA SER 40 HA SER 40 6.004 -16.842 0.683 261 1HB SER 40 1HB SER 40 4.128 -18.838 0.014 262 2HB SER 40 2HB SER 40 3.152 -17.531 0.655 263 HG SER 40 HG SER 40 3.406 -17.123 -1.549 264 H GLU 41 H GLU 41 4.995 -14.844 1.395 265 HA GLU 41 HA GLU 41 3.592 -15.075 3.931 266 1HB GLU 41 1HB GLU 41 5.980 -13.285 3.328 267 2HB GLU 41 2HB GLU 41 4.904 -12.995 4.680 268 1HG GLU 41 1HG GLU 41 6.296 -14.389 5.837 269 2HG GLU 41 2HG GLU 41 5.438 -15.681 5.022 270 H GLY 42 H GLY 42 3.059 -12.416 4.465 271 1HA GLY 42 1HA GLY 42 1.796 -11.424 1.981 272 2HA GLY 42 2HA GLY 42 0.925 -11.532 3.498 273 H ILE 43 H ILE 43 1.273 -9.076 2.076 274 HA ILE 43 HA ILE 43 3.191 -7.683 3.810 275 HB ILE 43 HB ILE 43 2.133 -6.841 1.110 276 1HG1 ILE 43 1HG1 ILE 43 3.503 -8.747 0.732 277 2HG1 ILE 43 2HG1 ILE 43 4.464 -7.337 0.333 278 1HG2 ILE 43 1HG2 ILE 43 3.914 -5.569 3.142 279 2HG2 ILE 43 2HG2 ILE 43 4.289 -5.335 1.418 280 3HG2 ILE 43 3HG2 ILE 43 2.703 -4.844 2.059 281 1HD1 ILE 43 1HD1 ILE 43 5.398 -7.448 2.733 282 2HD1 ILE 43 2HD1 ILE 43 4.630 -9.050 2.844 283 3HD1 ILE 43 3HD1 ILE 43 5.899 -8.753 1.631 284 H PHE 44 H PHE 44 2.407 -6.253 5.279 285 HA PHE 44 HA PHE 44 -0.295 -5.238 4.839 286 1HB PHE 44 1HB PHE 44 0.902 -6.680 7.273 287 2HB PHE 44 2HB PHE 44 -0.532 -5.682 7.422 288 HD1 PHE 44 HD1 PHE 44 -2.660 -6.425 6.555 289 HD2 PHE 44 HD2 PHE 44 0.822 -8.796 6.036 290 HE1 PHE 44 HE1 PHE 44 -4.089 -8.381 5.898 291 HE2 PHE 44 HE2 PHE 44 -0.608 -10.751 5.378 292 HZ PHE 44 HZ PHE 44 -3.046 -10.520 5.317 293 H VAL 45 H VAL 45 -0.786 -3.305 6.194 294 HA VAL 45 HA VAL 45 1.665 -1.774 6.590 295 HB VAL 45 HB VAL 45 -1.220 -0.874 6.482 296 1HG1 VAL 45 1HG1 VAL 45 1.401 0.523 6.788 297 2HG1 VAL 45 2HG1 VAL 45 0.171 1.293 5.756 298 3HG1 VAL 45 3HG1 VAL 45 -0.199 0.923 7.458 299 1HG2 VAL 45 1HG2 VAL 45 -0.652 -1.888 4.362 300 2HG2 VAL 45 2HG2 VAL 45 -0.669 -0.119 4.170 301 3HG2 VAL 45 3HG2 VAL 45 0.881 -0.985 4.293 302 H SER 46 H SER 46 2.440 -1.350 8.595 303 HA SER 46 HA SER 46 0.548 -1.716 10.786 304 1HB SER 46 1HB SER 46 2.182 -3.572 10.711 305 2HB SER 46 2HB SER 46 3.513 -2.432 10.711 306 HG SER 46 HG SER 46 2.867 -3.439 12.843 307 H LYS 47 H LYS 47 2.014 0.576 9.020 308 HA LYS 47 HA LYS 47 2.007 2.460 11.153 309 1HB LYS 47 1HB LYS 47 4.378 1.168 11.003 310 2HB LYS 47 2HB LYS 47 4.666 2.433 9.825 311 1HG LYS 47 1HG LYS 47 3.420 3.799 11.939 312 2HG LYS 47 2HG LYS 47 4.431 2.627 12.761 313 1HD LYS 47 1HD LYS 47 6.432 3.435 11.683 314 2HD LYS 47 2HD LYS 47 5.520 4.348 10.498 315 1HE LYS 47 1HE LYS 47 5.401 6.155 11.872 316 2HE LYS 47 2HE LYS 47 4.748 5.190 13.181 317 1HZ LYS 47 1HZ LYS 47 7.169 4.411 13.398 318 2HZ LYS 47 2HZ LYS 47 7.533 5.773 12.574 319 3HZ LYS 47 3HZ LYS 47 6.747 5.868 14.002 320 H ILE 48 H ILE 48 1.972 4.644 10.353 321 HA ILE 48 HA ILE 48 2.231 5.031 7.514 322 HB ILE 48 HB ILE 48 -0.439 5.031 8.890 323 1HG1 ILE 48 1HG1 ILE 48 0.689 3.774 6.382 324 2HG1 ILE 48 2HG1 ILE 48 0.072 2.970 7.811 325 1HG2 ILE 48 1HG2 ILE 48 -0.773 6.068 6.291 326 2HG2 ILE 48 2HG2 ILE 48 -1.064 6.885 7.846 327 3HG2 ILE 48 3HG2 ILE 48 0.521 7.026 7.050 328 1HD1 ILE 48 1HD1 ILE 48 -1.395 4.066 5.495 329 2HD1 ILE 48 2HD1 ILE 48 -1.894 2.827 6.671 330 3HD1 ILE 48 3HD1 ILE 48 -2.091 4.553 7.059 331 H VAL 49 H VAL 49 3.330 6.902 7.332 332 HA VAL 49 HA VAL 49 3.597 8.629 9.557 333 HB VAL 49 HB VAL 49 4.374 8.953 6.652 334 1HG1 VAL 49 1HG1 VAL 49 6.138 10.348 8.388 335 2HG1 VAL 49 2HG1 VAL 49 5.030 11.020 7.167 336 3HG1 VAL 49 3HG1 VAL 49 4.480 10.805 8.846 337 1HG2 VAL 49 1HG2 VAL 49 5.289 7.067 8.448 338 2HG2 VAL 49 2HG2 VAL 49 6.170 7.656 7.018 339 3HG2 VAL 49 3HG2 VAL 49 6.481 8.379 8.614 340 H ASP 50 H ASP 50 2.481 10.453 10.120 341 HA ASP 50 HA ASP 50 0.004 10.883 8.973 342 1HB ASP 50 1HB ASP 50 1.690 12.072 11.070 343 2HB ASP 50 2HB ASP 50 0.751 13.297 10.242 344 H SER 51 H SER 51 2.671 13.352 9.224 345 HA SER 51 HA SER 51 1.756 14.985 7.268 346 1HB SER 51 1HB SER 51 4.122 14.717 8.860 347 2HB SER 51 2HB SER 51 4.653 14.975 7.210 348 HG SER 51 HG SER 51 3.597 16.781 8.973 349 H GLY 52 H GLY 52 3.235 11.835 6.976 350 1HA GLY 52 1HA GLY 52 4.545 11.900 4.563 351 2HA GLY 52 2HA GLY 52 3.643 10.534 5.187 352 HA PRO 53 HA PRO 53 1.475 12.594 1.575 353 1HB PRO 53 1HB PRO 53 2.661 11.515 -0.637 354 2HB PRO 53 2HB PRO 53 3.048 13.110 -0.025 355 1HG PRO 53 1HG PRO 53 4.622 10.616 0.176 356 2HG PRO 53 2HG PRO 53 5.156 12.271 0.391 357 1HD PRO 53 1HD PRO 53 4.637 10.352 2.459 358 2HD PRO 53 2HD PRO 53 5.059 12.039 2.677 359 H ALA 54 H ALA 54 2.107 9.649 2.841 360 HA ALA 54 HA ALA 54 0.317 8.235 1.046 361 1HB ALA 54 1HB ALA 54 0.884 6.339 2.689 362 2HB ALA 54 2HB ALA 54 2.226 6.984 1.713 363 3HB ALA 54 3HB ALA 54 2.049 7.471 3.416 364 H ALA 55 H ALA 55 0.430 9.743 4.277 365 HA ALA 55 HA ALA 55 -2.205 8.685 4.903 366 1HB ALA 55 1HB ALA 55 -1.796 9.737 7.095 367 2HB ALA 55 2HB ALA 55 -0.430 8.698 6.625 368 3HB ALA 55 3HB ALA 55 -0.296 10.466 6.473 369 H LYS 56 H LYS 56 -0.660 11.452 3.454 370 HA LYS 56 HA LYS 56 -2.694 13.326 4.151 371 1HB LYS 56 1HB LYS 56 -0.224 13.290 2.494 372 2HB LYS 56 2HB LYS 56 -1.448 14.459 2.042 373 1HG LYS 56 1HG LYS 56 -0.816 14.229 4.972 374 2HG LYS 56 2HG LYS 56 0.415 14.950 3.956 375 1HD LYS 56 1HD LYS 56 -0.990 16.746 3.292 376 2HD LYS 56 2HD LYS 56 -2.458 15.880 3.701 377 1HE LYS 56 1HE LYS 56 -1.444 15.938 6.173 378 2HE LYS 56 2HE LYS 56 -0.509 17.281 5.543 379 1HZ LYS 56 1HZ LYS 56 -3.428 17.048 5.654 380 2HZ LYS 56 2HZ LYS 56 -2.483 18.163 6.382 381 3HZ LYS 56 3HZ LYS 56 -2.680 18.193 4.761 382 H GLU 57 H GLU 57 -1.728 12.465 0.786 383 HA GLU 57 HA GLU 57 -4.570 12.371 0.192 384 1HB GLU 57 1HB GLU 57 -2.146 12.797 -1.608 385 2HB GLU 57 2HB GLU 57 -3.790 12.677 -2.202 386 1HG GLU 57 1HG GLU 57 -3.011 14.694 -0.057 387 2HG GLU 57 2HG GLU 57 -2.847 15.058 -1.763 388 H GLY 58 H GLY 58 -1.721 10.417 0.540 389 1HA GLY 58 1HA GLY 58 -1.747 8.425 -1.215 390 2HA GLY 58 2HA GLY 58 -1.591 8.142 0.508 391 H GLY 59 H GLY 59 -3.863 8.230 1.741 392 1HA GLY 59 1HA GLY 59 -6.173 7.759 1.630 393 2HA GLY 59 2HA GLY 59 -5.946 6.984 0.074 394 H LEU 60 H LEU 60 -3.316 6.114 2.025 395 HA LEU 60 HA LEU 60 -4.271 3.452 2.270 396 1HB LEU 60 1HB LEU 60 -1.879 4.387 1.882 397 2HB LEU 60 2HB LEU 60 -1.826 4.539 3.627 398 HG LEU 60 HG LEU 60 -2.100 2.172 3.931 399 1HD1 LEU 60 1HD1 LEU 60 -1.984 0.930 1.473 400 2HD1 LEU 60 2HD1 LEU 60 -3.432 1.103 2.494 401 3HD1 LEU 60 3HD1 LEU 60 -3.118 2.271 1.189 402 1HD2 LEU 60 1HD2 LEU 60 -0.006 1.490 3.283 403 2HD2 LEU 60 2HD2 LEU 60 -0.132 2.242 1.674 404 3HD2 LEU 60 3HD2 LEU 60 0.151 3.254 3.111 405 H GLN 61 H GLN 61 -3.939 2.294 4.522 406 HA GLN 61 HA GLN 61 -4.587 3.939 6.747 407 1HB GLN 61 1HB GLN 61 -6.754 2.985 5.200 408 2HB GLN 61 2HB GLN 61 -6.687 1.907 6.579 409 1HG GLN 61 1HG GLN 61 -6.843 3.756 8.148 410 2HG GLN 61 2HG GLN 61 -6.586 4.939 6.881 411 1HE2 GLN 61 1HE2 GLN 61 -8.763 2.406 8.030 412 2HE2 GLN 61 2HE2 GLN 61 -10.232 3.046 7.374 413 H ILE 62 H ILE 62 -3.561 3.033 8.482 414 HA ILE 62 HA ILE 62 -2.008 0.866 8.421 415 HB ILE 62 HB ILE 62 -3.636 1.881 10.753 416 1HG1 ILE 62 1HG1 ILE 62 -1.112 2.757 9.424 417 2HG1 ILE 62 2HG1 ILE 62 -2.393 3.709 10.147 418 1HG2 ILE 62 1HG2 ILE 62 -2.102 0.784 12.217 419 2HG2 ILE 62 2HG2 ILE 62 -2.727 -0.432 11.077 420 3HG2 ILE 62 3HG2 ILE 62 -1.094 0.241 10.855 421 1HD1 ILE 62 1HD1 ILE 62 -1.652 3.037 12.416 422 2HD1 ILE 62 2HD1 ILE 62 -0.375 2.024 11.701 423 3HD1 ILE 62 3HD1 ILE 62 -0.318 3.793 11.512 424 H HIS 63 H HIS 63 -2.151 -1.371 9.120 425 HA HIS 63 HA HIS 63 -3.055 -3.369 9.160 426 1HB HIS 63 1HB HIS 63 -5.757 -2.175 9.777 427 2HB HIS 63 2HB HIS 63 -5.127 -3.745 10.236 428 HD1 HIS 63 HD1 HIS 63 -2.745 -3.417 11.825 429 HD2 HIS 63 HD2 HIS 63 -5.706 -0.447 11.876 430 HE1 HIS 63 HE1 HIS 63 -2.384 -2.084 13.971 431 H ASP 64 H ASP 64 -2.691 -2.208 6.669 432 HA ASP 64 HA ASP 64 -5.112 -3.022 5.264 433 1HB ASP 64 1HB ASP 64 -4.892 -1.048 4.172 434 2HB ASP 64 2HB ASP 64 -3.392 -0.711 5.012 435 H ARG 65 H ARG 65 -4.837 -4.525 3.482 436 HA ARG 65 HA ARG 65 -2.224 -5.787 3.493 437 1HB ARG 65 1HB ARG 65 -4.442 -7.072 4.030 438 2HB ARG 65 2HB ARG 65 -4.776 -6.966 2.313 439 1HG ARG 65 1HG ARG 65 -2.478 -8.027 1.898 440 2HG ARG 65 2HG ARG 65 -2.365 -8.301 3.626 441 1HD ARG 65 1HD ARG 65 -3.965 -9.981 3.612 442 2HD ARG 65 2HD ARG 65 -4.909 -9.226 2.344 443 HE ARG 65 HE ARG 65 -2.463 -10.026 1.160 444 1HH1 ARG 65 1HH1 ARG 65 -5.248 -11.540 2.688 445 2HH1 ARG 65 2HH1 ARG 65 -5.103 -13.012 1.787 446 1HH2 ARG 65 1HH2 ARG 65 -2.272 -11.968 -0.030 447 2HH2 ARG 65 2HH2 ARG 65 -3.399 -13.257 0.230 448 H ILE 66 H ILE 66 -1.125 -4.489 1.934 449 HA ILE 66 HA ILE 66 -2.178 -3.475 -0.379 450 HB ILE 66 HB ILE 66 0.636 -4.515 -0.147 451 1HG1 ILE 66 1HG1 ILE 66 -0.706 -2.333 1.400 452 2HG1 ILE 66 2HG1 ILE 66 0.517 -3.480 1.910 453 1HG2 ILE 66 1HG2 ILE 66 -0.546 -2.071 -1.496 454 2HG2 ILE 66 2HG2 ILE 66 1.173 -2.532 -1.473 455 3HG2 ILE 66 3HG2 ILE 66 -0.014 -3.566 -2.303 456 1HD1 ILE 66 1HD1 ILE 66 2.113 -2.274 0.254 457 2HD1 ILE 66 2HD1 ILE 66 0.881 -0.990 0.205 458 3HD1 ILE 66 3HD1 ILE 66 1.674 -1.404 1.744 459 H ILE 67 H ILE 67 -2.484 -4.192 -2.497 460 HA ILE 67 HA ILE 67 -2.231 -7.103 -2.812 461 HB ILE 67 HB ILE 67 -4.170 -5.452 -4.379 462 1HG1 ILE 67 1HG1 ILE 67 -4.388 -4.913 -1.894 463 2HG1 ILE 67 2HG1 ILE 67 -5.825 -5.473 -2.726 464 1HG2 ILE 67 1HG2 ILE 67 -5.460 -7.610 -4.228 465 2HG2 ILE 67 2HG2 ILE 67 -3.922 -7.697 -5.120 466 3HG2 ILE 67 3HG2 ILE 67 -4.025 -8.330 -3.459 467 1HD1 ILE 67 1HD1 ILE 67 -3.973 -7.343 -1.185 468 2HD1 ILE 67 2HD1 ILE 67 -5.403 -6.565 -0.465 469 3HD1 ILE 67 3HD1 ILE 67 -5.597 -7.708 -1.815 470 H GLU 68 H GLU 68 -1.979 -3.868 -4.389 471 HA GLU 68 HA GLU 68 0.133 -4.969 -6.002 472 1HB GLU 68 1HB GLU 68 -2.389 -4.881 -7.115 473 2HB GLU 68 2HB GLU 68 -1.763 -3.315 -7.590 474 1HG GLU 68 1HG GLU 68 -0.299 -4.226 -9.086 475 2HG GLU 68 2HG GLU 68 0.241 -5.445 -7.949 476 H VAL 69 H VAL 69 1.523 -3.274 -6.944 477 HA VAL 69 HA VAL 69 0.949 -0.579 -5.989 478 HB VAL 69 HB VAL 69 2.499 -2.175 -4.484 479 1HG1 VAL 69 1HG1 VAL 69 4.139 -2.589 -6.254 480 2HG1 VAL 69 2HG1 VAL 69 4.421 -0.839 -6.421 481 3HG1 VAL 69 3HG1 VAL 69 4.872 -1.673 -4.915 482 1HG2 VAL 69 1HG2 VAL 69 1.988 0.614 -4.741 483 2HG2 VAL 69 2HG2 VAL 69 2.519 -0.287 -3.301 484 3HG2 VAL 69 3HG2 VAL 69 3.725 0.416 -4.405 485 H ASN 70 H ASN 70 1.078 0.737 -7.725 486 HA ASN 70 HA ASN 70 1.627 1.538 -9.663 487 1HB ASN 70 1HB ASN 70 4.005 1.292 -8.365 488 2HB ASN 70 2HB ASN 70 4.340 0.212 -9.704 489 1HD2 ASN 70 1HD2 ASN 70 4.434 3.342 -8.635 490 2HD2 ASN 70 2HD2 ASN 70 4.577 4.198 -10.134 491 H GLY 71 H GLY 71 0.721 -1.422 -9.310 492 1HA GLY 71 1HA GLY 71 -0.081 -2.740 -11.081 493 2HA GLY 71 2HA GLY 71 1.267 -2.236 -12.082 494 H ARG 72 H ARG 72 2.670 -2.706 -9.106 495 HA ARG 72 HA ARG 72 3.520 -5.334 -9.918 496 1HB ARG 72 1HB ARG 72 4.822 -3.094 -8.773 497 2HB ARG 72 2HB ARG 72 4.769 -4.268 -7.473 498 1HG ARG 72 1HG ARG 72 5.522 -5.886 -9.570 499 2HG ARG 72 2HG ARG 72 6.250 -4.371 -10.065 500 1HD ARG 72 1HD ARG 72 7.413 -4.184 -7.874 501 2HD ARG 72 2HD ARG 72 6.640 -5.655 -7.317 502 HE ARG 72 HE ARG 72 8.098 -6.933 -8.664 503 1HH1 ARG 72 1HH1 ARG 72 8.392 -3.518 -9.460 504 2HH1 ARG 72 2HH1 ARG 72 9.811 -3.735 -10.430 505 1HH2 ARG 72 1HH2 ARG 72 9.969 -7.220 -9.944 506 2HH2 ARG 72 2HH2 ARG 72 10.713 -5.855 -10.707 507 H ASP 73 H ASP 73 2.878 -7.200 -8.850 508 HA ASP 73 HA ASP 73 0.978 -6.898 -6.764 509 1HB ASP 73 1HB ASP 73 0.984 -8.672 -8.632 510 2HB ASP 73 2HB ASP 73 2.287 -9.464 -7.768 511 H LEU 74 H LEU 74 1.397 -7.125 -4.539 512 HA LEU 74 HA LEU 74 4.029 -8.203 -3.810 513 1HB LEU 74 1HB LEU 74 2.682 -5.944 -2.349 514 2HB LEU 74 2HB LEU 74 4.324 -6.531 -2.174 515 HG LEU 74 HG LEU 74 3.238 -5.136 -4.637 516 1HD1 LEU 74 1HD1 LEU 74 4.897 -3.323 -3.792 517 2HD1 LEU 74 2HD1 LEU 74 3.278 -3.440 -3.061 518 3HD1 LEU 74 3HD1 LEU 74 4.689 -4.115 -2.211 519 1HD2 LEU 74 1HD2 LEU 74 5.222 -6.838 -4.773 520 2HD2 LEU 74 2HD2 LEU 74 5.326 -5.264 -5.599 521 3HD2 LEU 74 3HD2 LEU 74 6.154 -5.509 -4.042 522 H SER 75 H SER 75 0.812 -8.813 -3.886 523 HA SER 75 HA SER 75 0.062 -9.302 -1.312 524 1HB SER 75 1HB SER 75 -1.349 -9.470 -3.420 525 2HB SER 75 2HB SER 75 -0.622 -11.035 -3.725 526 HG SER 75 HG SER 75 -1.621 -11.908 -1.925 527 H ARG 76 H ARG 76 2.135 -11.204 -3.531 528 HA ARG 76 HA ARG 76 2.469 -13.128 -1.373 529 1HB ARG 76 1HB ARG 76 3.309 -14.685 -3.184 530 2HB ARG 76 2HB ARG 76 1.638 -14.207 -3.403 531 1HG ARG 76 1HG ARG 76 2.141 -12.753 -5.200 532 2HG ARG 76 2HG ARG 76 3.814 -12.561 -4.713 533 1HD ARG 76 1HD ARG 76 3.896 -15.211 -5.193 534 2HD ARG 76 2HD ARG 76 2.523 -14.838 -6.217 535 HE ARG 76 HE ARG 76 3.961 -13.746 -7.707 536 1HH1 ARG 76 1HH1 ARG 76 5.581 -14.109 -4.605 537 2HH1 ARG 76 2HH1 ARG 76 7.107 -13.536 -5.190 538 1HH2 ARG 76 1HH2 ARG 76 5.974 -12.990 -8.480 539 2HH2 ARG 76 2HH2 ARG 76 7.332 -12.895 -7.410 540 H ALA 77 H ALA 77 3.792 -10.393 -1.904 541 HA ALA 77 HA ALA 77 6.543 -11.267 -2.375 542 1HB ALA 77 1HB ALA 77 6.997 -8.876 -2.684 543 2HB ALA 77 2HB ALA 77 5.635 -9.380 -3.714 544 3HB ALA 77 3HB ALA 77 5.327 -8.480 -2.210 545 H THR 78 H THR 78 8.193 -9.963 -0.928 546 HA THR 78 HA THR 78 7.223 -10.225 1.839 547 HB THR 78 HB THR 78 9.351 -11.095 2.359 548 HG1 THR 78 HG1 THR 78 11.146 -10.523 0.777 549 1HG2 THR 78 1HG2 THR 78 10.169 -12.542 0.490 550 2HG2 THR 78 2HG2 THR 78 8.399 -12.651 0.646 551 3HG2 THR 78 3HG2 THR 78 9.119 -11.660 -0.645 552 H HIS 79 H HIS 79 8.976 -8.857 3.306 553 HA HIS 79 HA HIS 79 8.154 -6.223 2.898 554 1HB HIS 79 1HB HIS 79 8.685 -7.217 5.089 555 2HB HIS 79 2HB HIS 79 10.377 -7.318 4.644 556 HD1 HIS 79 HD1 HIS 79 11.796 -5.169 4.787 557 HD2 HIS 79 HD2 HIS 79 7.727 -4.561 5.608 558 HE1 HIS 79 HE1 HIS 79 11.605 -2.813 5.748 559 H ASP 80 H ASP 80 11.219 -7.972 2.168 560 HA ASP 80 HA ASP 80 12.698 -5.773 1.462 561 1HB ASP 80 1HB ASP 80 12.880 -8.643 1.266 562 2HB ASP 80 2HB ASP 80 13.320 -7.986 -0.297 563 H GLN 81 H GLN 81 10.696 -8.050 -0.558 564 HA GLN 81 HA GLN 81 11.152 -6.757 -2.959 565 1HB GLN 81 1HB GLN 81 8.830 -8.495 -2.022 566 2HB GLN 81 2HB GLN 81 9.031 -7.979 -3.684 567 1HG GLN 81 1HG GLN 81 11.537 -8.967 -3.221 568 2HG GLN 81 2HG GLN 81 10.626 -9.964 -2.104 569 1HE2 GLN 81 1HE2 GLN 81 9.587 -11.673 -2.833 570 2HE2 GLN 81 2HE2 GLN 81 9.276 -12.068 -4.490 571 H ALA 82 H ALA 82 8.473 -6.437 -0.541 572 HA ALA 82 HA ALA 82 6.884 -4.671 -1.916 573 1HB ALA 82 1HB ALA 82 6.229 -5.750 0.172 574 2HB ALA 82 2HB ALA 82 7.495 -4.870 1.061 575 3HB ALA 82 3HB ALA 82 6.118 -3.984 0.363 576 H VAL 83 H VAL 83 9.527 -3.879 0.458 577 HA VAL 83 HA VAL 83 9.428 -1.152 0.176 578 HB VAL 83 HB VAL 83 11.665 -3.080 0.778 579 1HG1 VAL 83 1HG1 VAL 83 12.956 -1.116 1.618 580 2HG1 VAL 83 2HG1 VAL 83 12.750 -1.129 -0.150 581 3HG1 VAL 83 3HG1 VAL 83 11.756 -0.046 0.854 582 1HG2 VAL 83 1HG2 VAL 83 9.610 -1.603 2.324 583 2HG2 VAL 83 2HG2 VAL 83 10.411 -3.156 2.662 584 3HG2 VAL 83 3HG2 VAL 83 11.243 -1.627 3.032 585 H GLU 84 H GLU 84 11.489 -3.513 -1.665 586 HA GLU 84 HA GLU 84 12.732 -1.719 -3.267 587 1HB GLU 84 1HB GLU 84 13.229 -4.158 -3.157 588 2HB GLU 84 2HB GLU 84 11.749 -4.506 -4.028 589 1HG GLU 84 1HG GLU 84 12.598 -3.781 -6.058 590 2HG GLU 84 2HG GLU 84 13.567 -2.516 -5.328 591 H ALA 85 H ALA 85 9.503 -3.280 -3.738 592 HA ALA 85 HA ALA 85 8.963 -2.298 -6.260 593 1HB ALA 85 1HB ALA 85 6.597 -2.677 -5.626 594 2HB ALA 85 2HB ALA 85 7.642 -4.021 -5.104 595 3HB ALA 85 3HB ALA 85 7.084 -2.815 -3.920 596 H PHE 86 H PHE 86 8.028 -0.882 -3.040 597 HA PHE 86 HA PHE 86 6.997 1.467 -4.152 598 1HB PHE 86 1HB PHE 86 8.131 0.574 -1.449 599 2HB PHE 86 2HB PHE 86 7.544 2.213 -1.654 600 HD1 PHE 86 HD1 PHE 86 5.110 2.480 -2.493 601 HD2 PHE 86 HD2 PHE 86 6.648 -1.130 -0.878 602 HE1 PHE 86 HE1 PHE 86 2.774 1.705 -2.000 603 HE2 PHE 86 HE2 PHE 86 4.312 -1.905 -0.386 604 HZ PHE 86 HZ PHE 86 2.403 -0.478 -0.953 605 H LYS 87 H LYS 87 10.285 0.399 -3.445 606 HA LYS 87 HA LYS 87 11.384 3.026 -3.308 607 1HB LYS 87 1HB LYS 87 12.607 1.422 -2.144 608 2HB LYS 87 2HB LYS 87 12.476 0.228 -3.419 609 1HG LYS 87 1HG LYS 87 14.073 1.367 -4.809 610 2HG LYS 87 2HG LYS 87 13.966 2.842 -3.868 611 1HD LYS 87 1HD LYS 87 16.053 1.664 -3.318 612 2HD LYS 87 2HD LYS 87 15.003 1.684 -1.915 613 1HE LYS 87 1HE LYS 87 14.204 -0.638 -2.529 614 2HE LYS 87 2HE LYS 87 15.346 -0.651 -3.858 615 1HZ LYS 87 1HZ LYS 87 15.878 -1.411 -1.339 616 2HZ LYS 87 2HZ LYS 87 17.003 -1.052 -2.467 617 3HZ LYS 87 3HZ LYS 87 16.541 0.081 -1.386 618 H THR 88 H THR 88 11.197 0.424 -5.822 619 HA THR 88 HA THR 88 12.358 2.215 -7.780 620 HB THR 88 HB THR 88 12.417 0.226 -9.147 621 HG1 THR 88 HG1 THR 88 10.620 -0.895 -7.122 622 1HG2 THR 88 1HG2 THR 88 12.518 -1.484 -6.794 623 2HG2 THR 88 2HG2 THR 88 13.869 -0.920 -7.807 624 3HG2 THR 88 3HG2 THR 88 13.319 0.063 -6.429 625 H ALA 89 H ALA 89 9.307 1.830 -6.390 626 HA ALA 89 HA ALA 89 7.682 1.999 -8.681 627 1HB ALA 89 1HB ALA 89 7.336 2.661 -5.743 628 2HB ALA 89 2HB ALA 89 6.030 2.916 -6.925 629 3HB ALA 89 3HB ALA 89 6.680 1.281 -6.656 630 H LYS 90 H LYS 90 6.585 3.854 -9.580 631 HA LYS 90 HA LYS 90 8.020 6.362 -9.037 632 1HB LYS 90 1HB LYS 90 7.377 4.961 -11.573 633 2HB LYS 90 2HB LYS 90 7.100 6.691 -11.570 634 1HG LYS 90 1HG LYS 90 9.707 5.378 -10.668 635 2HG LYS 90 2HG LYS 90 9.440 6.021 -12.276 636 1HD LYS 90 1HD LYS 90 8.716 7.957 -10.167 637 2HD LYS 90 2HD LYS 90 10.391 7.455 -10.057 638 1HE LYS 90 1HE LYS 90 10.687 7.998 -12.503 639 2HE LYS 90 2HE LYS 90 9.028 8.559 -12.561 640 1HZ LYS 90 1HZ LYS 90 9.729 10.481 -11.794 641 2HZ LYS 90 2HZ LYS 90 10.269 9.792 -10.415 642 3HZ LYS 90 3HZ LYS 90 11.268 9.944 -11.698 643 H GLU 91 H GLU 91 6.750 8.334 -9.182 644 HA GLU 91 HA GLU 91 4.048 7.807 -8.331 645 1HB GLU 91 1HB GLU 91 5.427 10.514 -8.460 646 2HB GLU 91 2HB GLU 91 4.052 10.058 -7.474 647 1HG GLU 91 1HG GLU 91 5.628 9.753 -5.838 648 2HG GLU 91 2HG GLU 91 5.869 8.199 -6.612 649 HA PRO 92 HA PRO 92 2.361 8.884 -8.134 650 1HB PRO 92 1HB PRO 92 -0.203 8.303 -8.881 651 2HB PRO 92 2HB PRO 92 0.357 9.933 -8.566 652 1HG PRO 92 1HG PRO 92 -0.196 8.632 -11.163 653 2HG PRO 92 2HG PRO 92 -0.054 10.341 -10.799 654 1HD PRO 92 1HD PRO 92 1.911 8.690 -12.080 655 2HD PRO 92 2HD PRO 92 2.097 10.368 -11.611 656 H ILE 93 H ILE 93 2.159 7.134 -6.792 657 HA ILE 93 HA ILE 93 2.560 4.633 -8.226 658 HB ILE 93 HB ILE 93 2.843 5.350 -5.306 659 1HG1 ILE 93 1HG1 ILE 93 5.113 4.673 -7.155 660 2HG1 ILE 93 2HG1 ILE 93 4.459 6.298 -7.148 661 1HG2 ILE 93 1HG2 ILE 93 4.162 2.918 -6.260 662 2HG2 ILE 93 2HG2 ILE 93 3.186 3.203 -4.800 663 3HG2 ILE 93 3HG2 ILE 93 2.386 2.840 -6.348 664 1HD1 ILE 93 1HD1 ILE 93 6.421 5.530 -5.462 665 2HD1 ILE 93 2HD1 ILE 93 5.211 6.752 -5.005 666 3HD1 ILE 93 3HD1 ILE 93 5.019 5.066 -4.468 667 H VAL 94 H VAL 94 0.781 3.507 -8.791 668 HA VAL 94 HA VAL 94 -1.673 3.944 -7.345 669 HB VAL 94 HB VAL 94 -0.982 2.165 -9.692 670 1HG1 VAL 94 1HG1 VAL 94 -3.308 1.843 -10.041 671 2HG1 VAL 94 2HG1 VAL 94 -3.025 1.527 -8.312 672 3HG1 VAL 94 3HG1 VAL 94 -3.739 3.073 -8.829 673 1HG2 VAL 94 1HG2 VAL 94 -0.942 4.036 -10.904 674 2HG2 VAL 94 2HG2 VAL 94 -2.649 4.306 -10.478 675 3HG2 VAL 94 3HG2 VAL 94 -1.358 5.019 -9.480 676 H VAL 95 H VAL 95 -1.987 2.933 -5.429 677 HA VAL 95 HA VAL 95 -0.981 0.178 -5.226 678 HB VAL 95 HB VAL 95 -1.567 1.587 -2.730 679 1HG1 VAL 95 1HG1 VAL 95 -0.368 -0.274 -2.261 680 2HG1 VAL 95 2HG1 VAL 95 0.415 -0.304 -3.858 681 3HG1 VAL 95 3HG1 VAL 95 1.026 0.783 -2.587 682 1HG2 VAL 95 1HG2 VAL 95 0.615 2.652 -4.552 683 2HG2 VAL 95 2HG2 VAL 95 -0.781 3.545 -3.903 684 3HG2 VAL 95 3HG2 VAL 95 0.504 2.984 -2.807 685 H GLN 96 H GLN 96 -2.355 -1.368 -4.140 686 HA GLN 96 HA GLN 96 -5.106 -0.441 -3.900 687 1HB GLN 96 1HB GLN 96 -5.078 -1.613 -5.988 688 2HB GLN 96 2HB GLN 96 -4.057 -2.890 -5.357 689 1HG GLN 96 1HG GLN 96 -5.864 -4.072 -4.663 690 2HG GLN 96 2HG GLN 96 -6.444 -2.716 -3.716 691 1HE2 GLN 96 1HE2 GLN 96 -6.253 -3.988 -7.018 692 2HE2 GLN 96 2HE2 GLN 96 -7.754 -3.348 -7.597 693 H VAL 97 H VAL 97 -6.237 -1.216 -2.102 694 HA VAL 97 HA VAL 97 -4.795 -3.182 -0.463 695 HB VAL 97 HB VAL 97 -5.338 -1.970 1.499 696 1HG1 VAL 97 1HG1 VAL 97 -4.103 -0.371 -0.724 697 2HG1 VAL 97 2HG1 VAL 97 -4.359 0.389 0.865 698 3HG1 VAL 97 3HG1 VAL 97 -3.351 -1.072 0.729 699 1HG2 VAL 97 1HG2 VAL 97 -6.656 0.061 1.561 700 2HG2 VAL 97 2HG2 VAL 97 -6.833 0.046 -0.211 701 3HG2 VAL 97 3HG2 VAL 97 -7.602 -1.224 0.772 702 H LEU 98 H LEU 98 -6.327 -4.268 1.163 703 HA LEU 98 HA LEU 98 -8.883 -4.720 -0.208 704 1HB LEU 98 1HB LEU 98 -6.846 -6.490 0.890 705 2HB LEU 98 2HB LEU 98 -8.441 -6.840 1.527 706 HG LEU 98 HG LEU 98 -9.317 -7.376 -0.581 707 1HD1 LEU 98 1HD1 LEU 98 -7.299 -6.920 -2.497 708 2HD1 LEU 98 2HD1 LEU 98 -8.875 -6.106 -2.343 709 3HD1 LEU 98 3HD1 LEU 98 -7.438 -5.422 -1.545 710 1HD2 LEU 98 1HD2 LEU 98 -8.168 -9.279 -0.147 711 2HD2 LEU 98 2HD2 LEU 98 -7.294 -8.797 -1.621 712 3HD2 LEU 98 3HD2 LEU 98 -6.602 -8.444 -0.020 713 H ARG 99 H ARG 99 -10.475 -3.563 0.747 714 HA ARG 99 HA ARG 99 -10.386 -3.488 3.657 715 1HB ARG 99 1HB ARG 99 -10.449 -1.327 1.852 716 2HB ARG 99 2HB ARG 99 -12.117 -1.466 2.368 717 1HG ARG 99 1HG ARG 99 -11.553 -1.163 4.680 718 2HG ARG 99 2HG ARG 99 -9.856 -1.498 4.400 719 1HD ARG 99 1HD ARG 99 -10.947 0.802 2.837 720 2HD ARG 99 2HD ARG 99 -10.929 1.038 4.574 721 HE ARG 99 HE ARG 99 -8.647 1.141 2.885 722 1HH1 ARG 99 1HH1 ARG 99 -9.606 -0.325 5.937 723 2HH1 ARG 99 2HH1 ARG 99 -7.998 -0.341 6.581 724 1HH2 ARG 99 1HH2 ARG 99 -6.525 1.120 3.734 725 2HH2 ARG 99 2HH2 ARG 99 -6.234 0.487 5.320 726 H ARG 100 H ARG 100 -12.273 -4.123 4.781 727 HA ARG 100 HA ARG 100 -13.912 -5.920 3.770 728 1HB ARG 100 1HB ARG 100 -15.561 -5.263 5.578 729 2HB ARG 100 2HB ARG 100 -13.911 -5.388 6.153 730 1HG ARG 100 1HG ARG 100 -14.499 -2.684 5.151 731 2HG ARG 100 2HG ARG 100 -15.616 -3.156 6.417 732 1HD ARG 100 1HD ARG 100 -13.983 -3.165 8.046 733 2HD ARG 100 2HD ARG 100 -12.772 -3.848 6.980 734 HE ARG 100 HE ARG 100 -13.045 -1.337 5.934 735 1HH1 ARG 100 1HH1 ARG 100 -12.610 -2.454 9.242 736 2HH1 ARG 100 2HH1 ARG 100 -11.780 -1.022 9.752 737 1HH2 ARG 100 1HH2 ARG 100 -11.949 0.552 6.605 738 2HH2 ARG 100 2HH2 ARG 100 -11.401 0.699 8.242 739 H THR 101 H THR 101 -14.079 -2.418 3.261 740 HA THR 101 HA THR 101 -15.794 -2.646 1.064 741 HB THR 101 HB THR 101 -17.551 -3.154 2.710 742 HG1 THR 101 HG1 THR 101 -17.542 -0.305 2.015 743 1HG2 THR 101 1HG2 THR 101 -17.146 -0.426 3.971 744 2HG2 THR 101 2HG2 THR 101 -18.016 -1.838 4.618 745 3HG2 THR 101 3HG2 THR 101 -16.236 -1.816 4.608 746 H SER 102 H SER 102 -14.829 -0.511 3.818 747 HA SER 102 HA SER 102 -13.418 1.155 2.085 748 1HB SER 102 1HB SER 102 -14.809 3.218 2.306 749 2HB SER 102 2HB SER 102 -15.602 1.971 1.365 750 HG SER 102 HG SER 102 -16.115 1.953 4.158 751 H GLY 103 H GLY 103 -13.236 3.516 3.509 752 1HA GLY 103 1HA GLY 103 -13.372 3.285 6.309 753 2HA GLY 103 2HA GLY 103 -11.773 2.795 5.785 754 HA PRO 104 HA PRO 104 -12.516 7.416 4.868 755 1HB PRO 104 1HB PRO 104 -14.164 8.705 6.626 756 2HB PRO 104 2HB PRO 104 -14.688 8.158 5.046 757 1HG PRO 104 1HG PRO 104 -15.270 6.990 7.698 758 2HG PRO 104 2HG PRO 104 -16.104 6.732 6.179 759 1HD PRO 104 1HD PRO 104 -14.258 4.941 7.448 760 2HD PRO 104 2HD PRO 104 -15.002 4.737 5.875 761 H SER 105 H SER 105 -11.515 9.371 5.777 762 HA SER 105 HA SER 105 -10.176 8.589 8.249 763 1HB SER 105 1HB SER 105 -8.579 8.506 6.410 764 2HB SER 105 2HB SER 105 -9.074 10.086 5.836 765 HG SER 105 HG SER 105 -8.179 11.057 7.713 766 H SER 106 H SER 106 -10.887 11.466 6.125 767 HA SER 106 HA SER 106 -10.543 13.432 7.883 768 1HB SER 106 1HB SER 106 -12.010 14.767 6.541 769 2HB SER 106 2HB SER 106 -11.312 13.582 5.455 770 HG SER 106 HG SER 106 -13.941 13.492 6.666 771 H GLY 107 H GLY 107 -12.002 14.681 9.326 772 1HA GLY 107 1HA GLY 107 -13.661 14.926 10.845 773 2HA GLY 107 2HA GLY 107 -14.518 13.577 10.127 Start of MODEL 9 1 1H GLY 1 1H GLY 1 -16.678 -24.248 -8.041 2 1HA GLY 1 1HA GLY 1 -17.582 -22.982 -9.692 3 2HA GLY 1 2HA GLY 1 -18.860 -22.469 -8.608 4 H SER 2 H SER 2 -18.417 -20.326 -9.748 5 HA SER 2 HA SER 2 -15.968 -19.052 -9.084 6 1HB SER 2 1HB SER 2 -18.265 -18.558 -10.812 7 2HB SER 2 2HB SER 2 -17.869 -17.106 -9.912 8 HG SER 2 HG SER 2 -15.807 -18.623 -11.233 9 H SER 3 H SER 3 -15.706 -18.749 -6.859 10 HA SER 3 HA SER 3 -17.784 -17.123 -5.624 11 1HB SER 3 1HB SER 3 -16.394 -19.585 -4.531 12 2HB SER 3 2HB SER 3 -17.017 -18.368 -3.435 13 HG SER 3 HG SER 3 -18.575 -20.066 -3.857 14 H GLY 4 H GLY 4 -16.950 -15.727 -3.822 15 1HA GLY 4 1HA GLY 4 -14.031 -15.301 -3.970 16 2HA GLY 4 2HA GLY 4 -15.159 -13.972 -4.151 17 H SER 5 H SER 5 -16.955 -13.917 -2.303 18 HA SER 5 HA SER 5 -17.318 -13.421 -0.217 19 1HB SER 5 1HB SER 5 -15.928 -16.103 0.116 20 2HB SER 5 2HB SER 5 -16.595 -15.246 1.491 21 HG SER 5 HG SER 5 -18.678 -15.413 0.635 22 H SER 6 H SER 6 -15.984 -11.499 -0.166 23 HA SER 6 HA SER 6 -13.942 -11.665 1.779 24 1HB SER 6 1HB SER 6 -12.800 -12.317 -0.454 25 2HB SER 6 2HB SER 6 -13.051 -10.654 -0.949 26 HG SER 6 HG SER 6 -11.324 -10.118 0.179 27 H GLY 7 H GLY 7 -12.772 -9.234 1.715 28 1HA GLY 7 1HA GLY 7 -14.881 -7.436 2.276 29 2HA GLY 7 2HA GLY 7 -13.167 -7.075 2.213 30 H LYS 8 H LYS 8 -12.329 -5.945 0.470 31 HA LYS 8 HA LYS 8 -13.499 -6.020 -2.090 32 1HB LYS 8 1HB LYS 8 -14.585 -4.050 -0.209 33 2HB LYS 8 2HB LYS 8 -13.945 -3.317 -1.665 34 1HG LYS 8 1HG LYS 8 -15.708 -4.056 -2.886 35 2HG LYS 8 2HG LYS 8 -15.416 -5.712 -2.393 36 1HD LYS 8 1HD LYS 8 -16.621 -5.210 -0.210 37 2HD LYS 8 2HD LYS 8 -17.014 -3.623 -0.841 38 1HE LYS 8 1HE LYS 8 -18.287 -4.610 -2.699 39 2HE LYS 8 2HE LYS 8 -17.770 -6.224 -2.254 40 1HZ LYS 8 1HZ LYS 8 -19.687 -4.500 -0.932 41 2HZ LYS 8 2HZ LYS 8 -19.762 -6.105 -1.223 42 3HZ LYS 8 3HZ LYS 8 -18.836 -5.540 -0.003 43 H SER 9 H SER 9 -12.282 -4.651 -3.623 44 HA SER 9 HA SER 9 -9.651 -4.122 -2.507 45 1HB SER 9 1HB SER 9 -8.738 -4.610 -4.632 46 2HB SER 9 2HB SER 9 -10.035 -5.777 -4.464 47 HG SER 9 HG SER 9 -11.403 -4.157 -5.664 48 H LEU 10 H LEU 10 -8.919 -2.021 -2.374 49 HA LEU 10 HA LEU 10 -10.391 -0.027 -3.953 50 1HB LEU 10 1HB LEU 10 -9.152 0.902 -1.465 51 2HB LEU 10 2HB LEU 10 -10.708 1.286 -2.174 52 HG LEU 10 HG LEU 10 -11.145 0.250 -0.094 53 1HD1 LEU 10 1HD1 LEU 10 -12.117 -0.787 -2.471 54 2HD1 LEU 10 2HD1 LEU 10 -11.656 -2.232 -1.540 55 3HD1 LEU 10 3HD1 LEU 10 -12.791 -1.050 -0.844 56 1HD2 LEU 10 1HD2 LEU 10 -9.717 -1.126 0.893 57 2HD2 LEU 10 2HD2 LEU 10 -10.035 -2.374 -0.336 58 3HD2 LEU 10 3HD2 LEU 10 -8.742 -1.178 -0.596 59 H THR 11 H THR 11 -9.162 1.675 -4.878 60 HA THR 11 HA THR 11 -6.296 1.042 -5.020 61 HB THR 11 HB THR 11 -7.759 2.883 -6.928 62 HG1 THR 11 HG1 THR 11 -9.141 1.141 -7.127 63 1HG2 THR 11 1HG2 THR 11 -5.589 0.735 -7.150 64 2HG2 THR 11 2HG2 THR 11 -6.347 1.505 -8.565 65 3HG2 THR 11 3HG2 THR 11 -5.398 2.484 -7.421 66 H LEU 12 H LEU 12 -4.713 2.544 -4.581 67 HA LEU 12 HA LEU 12 -5.612 5.205 -3.812 68 1HB LEU 12 1HB LEU 12 -3.700 4.383 -1.884 69 2HB LEU 12 2HB LEU 12 -5.347 4.933 -1.648 70 HG LEU 12 HG LEU 12 -5.827 2.361 -2.354 71 1HD1 LEU 12 1HD1 LEU 12 -3.919 1.202 -2.433 72 2HD1 LEU 12 2HD1 LEU 12 -2.996 2.480 -1.607 73 3HD1 LEU 12 3HD1 LEU 12 -3.936 1.306 -0.656 74 1HD2 LEU 12 1HD2 LEU 12 -6.802 2.387 -0.360 75 2HD2 LEU 12 2HD2 LEU 12 -5.230 2.438 0.474 76 3HD2 LEU 12 3HD2 LEU 12 -6.009 3.950 -0.051 77 H VAL 13 H VAL 13 -4.136 6.804 -4.327 78 HA VAL 13 HA VAL 13 -1.762 5.833 -5.731 79 HB VAL 13 HB VAL 13 -3.696 7.493 -6.569 80 1HG1 VAL 13 1HG1 VAL 13 -3.186 9.167 -4.806 81 2HG1 VAL 13 2HG1 VAL 13 -1.556 9.361 -5.495 82 3HG1 VAL 13 3HG1 VAL 13 -2.986 9.812 -6.453 83 1HG2 VAL 13 1HG2 VAL 13 -0.933 8.216 -7.455 84 2HG2 VAL 13 2HG2 VAL 13 -1.453 6.523 -7.632 85 3HG2 VAL 13 3HG2 VAL 13 -2.380 7.825 -8.415 86 H LEU 14 H LEU 14 0.126 5.843 -4.637 87 HA LEU 14 HA LEU 14 0.366 7.774 -2.441 88 1HB LEU 14 1HB LEU 14 1.882 5.196 -2.856 89 2HB LEU 14 2HB LEU 14 1.969 6.256 -1.463 90 HG LEU 14 HG LEU 14 -0.360 4.529 -2.324 91 1HD1 LEU 14 1HD1 LEU 14 1.496 3.423 -1.115 92 2HD1 LEU 14 2HD1 LEU 14 1.254 4.550 0.241 93 3HD1 LEU 14 3HD1 LEU 14 -0.036 3.409 -0.208 94 1HD2 LEU 14 1HD2 LEU 14 -0.285 6.657 -0.170 95 2HD2 LEU 14 2HD2 LEU 14 -1.325 6.610 -1.614 96 3HD2 LEU 14 3HD2 LEU 14 -1.545 5.410 -0.318 97 H HIS 15 H HIS 15 2.454 8.850 -2.155 98 HA HIS 15 HA HIS 15 3.920 9.002 -4.688 99 1HB HIS 15 1HB HIS 15 3.249 11.257 -2.777 100 2HB HIS 15 2HB HIS 15 4.309 11.401 -4.165 101 HD1 HIS 15 HD1 HIS 15 3.227 11.572 -6.505 102 HD2 HIS 15 HD2 HIS 15 0.466 10.977 -3.404 103 HE1 HIS 15 HE1 HIS 15 0.920 11.985 -7.513 104 H ARG 16 H ARG 16 6.228 9.839 -4.373 105 HA ARG 16 HA ARG 16 7.214 8.705 -1.881 106 1HB ARG 16 1HB ARG 16 7.950 8.255 -4.651 107 2HB ARG 16 2HB ARG 16 9.329 8.956 -3.825 108 1HG ARG 16 1HG ARG 16 8.997 7.208 -1.982 109 2HG ARG 16 2HG ARG 16 7.790 6.451 -3.002 110 1HD ARG 16 1HD ARG 16 10.165 5.483 -3.176 111 2HD ARG 16 2HD ARG 16 9.400 5.896 -4.697 112 HE ARG 16 HE ARG 16 11.036 8.040 -3.491 113 1HH1 ARG 16 1HH1 ARG 16 10.903 5.363 -5.772 114 2HH1 ARG 16 2HH1 ARG 16 12.270 5.908 -6.687 115 1HH2 ARG 16 1HH2 ARG 16 12.839 8.759 -4.697 116 2HH2 ARG 16 2HH2 ARG 16 13.378 7.852 -6.071 117 H ASP 17 H ASP 17 7.887 10.288 -0.467 118 HA ASP 17 HA ASP 17 8.776 12.788 -1.635 119 1HB ASP 17 1HB ASP 17 7.042 13.040 0.041 120 2HB ASP 17 2HB ASP 17 7.870 11.970 1.155 121 H SER 18 H SER 18 10.751 11.075 -2.117 122 HA SER 18 HA SER 18 12.938 10.986 -1.831 123 1HB SER 18 1HB SER 18 12.567 13.039 -0.193 124 2HB SER 18 2HB SER 18 12.823 11.848 1.067 125 HG SER 18 HG SER 18 14.913 11.472 0.359 126 H GLY 19 H GLY 19 11.834 8.693 -1.895 127 1HA GLY 19 1HA GLY 19 11.600 6.595 -1.087 128 2HA GLY 19 2HA GLY 19 13.203 6.880 -0.439 129 H SER 20 H SER 20 9.790 7.890 0.343 130 HA SER 20 HA SER 20 10.284 6.907 3.027 131 1HB SER 20 1HB SER 20 10.368 9.612 2.480 132 2HB SER 20 2HB SER 20 8.676 9.406 2.887 133 HG SER 20 HG SER 20 10.633 9.698 4.609 134 H LEU 21 H LEU 21 7.938 8.223 0.604 135 HA LEU 21 HA LEU 21 5.909 7.562 0.027 136 1HB LEU 21 1HB LEU 21 6.717 5.142 1.614 137 2HB LEU 21 2HB LEU 21 5.101 5.291 0.953 138 HG LEU 21 HG LEU 21 6.380 3.986 -0.566 139 1HD1 LEU 21 1HD1 LEU 21 6.167 5.203 -2.620 140 2HD1 LEU 21 2HD1 LEU 21 4.846 5.700 -1.535 141 3HD1 LEU 21 3HD1 LEU 21 6.254 6.763 -1.767 142 1HD2 LEU 21 1HD2 LEU 21 8.462 4.938 -1.653 143 2HD2 LEU 21 2HD2 LEU 21 8.467 6.163 -0.362 144 3HD2 LEU 21 3HD2 LEU 21 8.618 4.438 0.048 145 H GLY 22 H GLY 22 6.527 6.906 3.541 146 1HA GLY 22 1HA GLY 22 5.588 8.343 5.183 147 2HA GLY 22 2HA GLY 22 4.209 8.630 4.139 148 H PHE 23 H PHE 23 5.842 5.501 4.964 149 HA PHE 23 HA PHE 23 4.013 4.686 6.883 150 1HB PHE 23 1HB PHE 23 2.453 3.381 5.586 151 2HB PHE 23 2HB PHE 23 2.594 4.868 4.669 152 HD1 PHE 23 HD1 PHE 23 2.137 1.636 4.114 153 HD2 PHE 23 HD2 PHE 23 5.045 4.581 3.176 154 HE1 PHE 23 HE1 PHE 23 2.815 0.321 2.086 155 HE2 PHE 23 HE2 PHE 23 5.723 3.266 1.149 156 HZ PHE 23 HZ PHE 23 4.600 1.151 0.628 157 H ASN 24 H ASN 24 3.992 2.065 6.919 158 HA ASN 24 HA ASN 24 6.578 1.171 5.948 159 1HB ASN 24 1HB ASN 24 6.190 1.842 8.610 160 2HB ASN 24 2HB ASN 24 5.764 0.143 8.638 161 1HD2 ASN 24 1HD2 ASN 24 8.165 2.074 9.320 162 2HD2 ASN 24 2HD2 ASN 24 9.560 1.154 8.866 163 H ILE 25 H ILE 25 6.691 -1.334 6.056 164 HA ILE 25 HA ILE 25 3.991 -2.486 5.967 165 HB ILE 25 HB ILE 25 5.279 -4.023 4.198 166 1HG1 ILE 25 1HG1 ILE 25 6.567 -1.293 3.927 167 2HG1 ILE 25 2HG1 ILE 25 7.376 -2.809 4.268 168 1HG2 ILE 25 1HG2 ILE 25 3.147 -3.095 3.740 169 2HG2 ILE 25 2HG2 ILE 25 3.788 -1.434 3.729 170 3HG2 ILE 25 3HG2 ILE 25 4.223 -2.565 2.424 171 1HD1 ILE 25 1HD1 ILE 25 7.684 -2.463 1.927 172 2HD1 ILE 25 2HD1 ILE 25 6.382 -3.671 2.035 173 3HD1 ILE 25 3HD1 ILE 25 5.990 -1.968 1.696 174 H ILE 26 H ILE 26 3.938 -4.842 6.432 175 HA ILE 26 HA ILE 26 6.252 -5.654 8.046 176 HB ILE 26 HB ILE 26 4.895 -6.425 9.774 177 1HG1 ILE 26 1HG1 ILE 26 2.397 -5.867 8.155 178 2HG1 ILE 26 2HG1 ILE 26 3.167 -7.439 8.229 179 1HG2 ILE 26 1HG2 ILE 26 3.279 -3.991 9.229 180 2HG2 ILE 26 2HG2 ILE 26 4.209 -4.462 10.672 181 3HG2 ILE 26 3HG2 ILE 26 5.049 -3.803 9.248 182 1HD1 ILE 26 1HD1 ILE 26 2.476 -5.971 10.791 183 2HD1 ILE 26 2HD1 ILE 26 1.236 -6.903 9.918 184 3HD1 ILE 26 3HD1 ILE 26 2.695 -7.718 10.530 185 H GLY 27 H GLY 27 6.209 -8.123 8.429 186 1HA GLY 27 1HA GLY 27 5.532 -10.246 7.647 187 2HA GLY 27 2HA GLY 27 4.997 -9.526 6.142 188 H GLY 28 H GLY 28 6.414 -11.464 5.374 189 1HA GLY 28 1HA GLY 28 8.200 -11.870 4.013 190 2HA GLY 28 2HA GLY 28 8.949 -10.369 4.518 191 H ARG 29 H ARG 29 7.979 -13.575 5.941 192 HA ARG 29 HA ARG 29 10.436 -13.419 7.489 193 1HB ARG 29 1HB ARG 29 7.806 -13.934 8.322 194 2HB ARG 29 2HB ARG 29 8.503 -15.540 8.238 195 1HG ARG 29 1HG ARG 29 9.944 -15.161 9.994 196 2HG ARG 29 2HG ARG 29 10.270 -13.508 9.511 197 1HD ARG 29 1HD ARG 29 7.517 -14.167 10.570 198 2HD ARG 29 2HD ARG 29 8.839 -14.053 11.714 199 HE ARG 29 HE ARG 29 8.985 -11.776 10.008 200 1HH1 ARG 29 1HH1 ARG 29 6.864 -13.118 12.474 201 2HH1 ARG 29 2HH1 ARG 29 6.268 -11.574 12.983 202 1HH2 ARG 29 1HH2 ARG 29 8.199 -9.738 10.679 203 2HH2 ARG 29 2HH2 ARG 29 7.032 -9.638 11.955 204 HA PRO 30 HA PRO 30 11.835 -16.883 5.231 205 1HB PRO 30 1HB PRO 30 13.821 -17.797 6.872 206 2HB PRO 30 2HB PRO 30 14.030 -16.446 5.775 207 1HG PRO 30 1HG PRO 30 13.691 -16.413 8.712 208 2HG PRO 30 2HG PRO 30 14.315 -15.154 7.665 209 1HD PRO 30 1HD PRO 30 11.709 -15.259 8.859 210 2HD PRO 30 2HD PRO 30 12.293 -14.061 7.721 211 H SER 31 H SER 31 11.874 -17.812 8.647 212 HA SER 31 HA SER 31 11.217 -19.647 9.619 213 1HB SER 31 1HB SER 31 8.965 -18.573 8.169 214 2HB SER 31 2HB SER 31 8.826 -20.320 8.166 215 HG SER 31 HG SER 31 7.859 -19.729 10.070 216 H VAL 32 H VAL 32 13.021 -20.936 8.768 217 HA VAL 32 HA VAL 32 13.847 -22.787 7.884 218 HB VAL 32 HB VAL 32 11.034 -23.450 7.000 219 1HG1 VAL 32 1HG1 VAL 32 13.301 -24.745 6.311 220 2HG1 VAL 32 2HG1 VAL 32 12.958 -25.546 7.863 221 3HG1 VAL 32 3HG1 VAL 32 11.741 -25.565 6.564 222 1HG2 VAL 32 1HG2 VAL 32 10.600 -24.423 9.102 223 2HG2 VAL 32 2HG2 VAL 32 12.307 -24.329 9.598 224 3HG2 VAL 32 3HG2 VAL 32 11.332 -22.844 9.477 225 H ASP 33 H ASP 33 11.165 -21.921 5.582 226 HA ASP 33 HA ASP 33 12.606 -22.457 3.331 227 1HB ASP 33 1HB ASP 33 10.084 -21.318 4.007 228 2HB ASP 33 2HB ASP 33 10.846 -20.152 2.943 229 H ASN 34 H ASN 34 14.518 -21.481 2.647 230 HA ASN 34 HA ASN 34 15.291 -18.995 3.736 231 1HB ASN 34 1HB ASN 34 16.444 -20.980 1.763 232 2HB ASN 34 2HB ASN 34 17.129 -19.367 1.789 233 1HD2 ASN 34 1HD2 ASN 34 18.761 -21.347 2.401 234 2HD2 ASN 34 2HD2 ASN 34 19.133 -21.418 4.091 235 H HIS 35 H HIS 35 16.227 -17.261 2.025 236 HA HIS 35 HA HIS 35 14.003 -16.445 0.467 237 1HB HIS 35 1HB HIS 35 15.603 -14.959 1.746 238 2HB HIS 35 2HB HIS 35 16.795 -15.275 0.501 239 HD1 HIS 35 HD1 HIS 35 14.597 -12.712 1.387 240 HD2 HIS 35 HD2 HIS 35 15.316 -14.700 -2.236 241 HE1 HIS 35 HE1 HIS 35 13.761 -11.160 -0.458 242 H ASP 36 H ASP 36 13.498 -17.576 -1.360 243 HA ASP 36 HA ASP 36 15.566 -17.694 -3.357 244 1HB ASP 36 1HB ASP 36 15.524 -19.911 -2.057 245 2HB ASP 36 2HB ASP 36 13.897 -20.151 -2.660 246 H GLY 37 H GLY 37 12.235 -18.986 -2.585 247 1HA GLY 37 1HA GLY 37 10.986 -17.230 -4.491 248 2HA GLY 37 2HA GLY 37 11.075 -18.891 -5.042 249 H SER 38 H SER 38 9.093 -19.828 -4.756 250 HA SER 38 HA SER 38 7.264 -20.519 -3.816 251 1HB SER 38 1HB SER 38 7.345 -21.337 -1.613 252 2HB SER 38 2HB SER 38 9.037 -21.278 -2.062 253 HG SER 38 HG SER 38 9.233 -19.244 -0.940 254 H SER 39 H SER 39 5.329 -19.853 -2.340 255 HA SER 39 HA SER 39 5.400 -16.976 -1.907 256 1HB SER 39 1HB SER 39 3.403 -18.600 -3.496 257 2HB SER 39 2HB SER 39 2.866 -17.147 -2.676 258 HG SER 39 HG SER 39 5.227 -16.684 -4.045 259 H SER 40 H SER 40 4.113 -16.236 -0.117 260 HA SER 40 HA SER 40 2.194 -17.621 1.171 261 1HB SER 40 1HB SER 40 3.534 -19.452 1.797 262 2HB SER 40 2HB SER 40 4.960 -18.463 2.039 263 HG SER 40 HG SER 40 2.630 -18.165 3.713 264 H GLU 41 H GLU 41 5.113 -15.581 1.374 265 HA GLU 41 HA GLU 41 4.602 -14.314 3.747 266 1HB GLU 41 1HB GLU 41 5.924 -13.300 1.196 267 2HB GLU 41 2HB GLU 41 5.944 -12.403 2.702 268 1HG GLU 41 1HG GLU 41 7.930 -13.582 2.948 269 2HG GLU 41 2HG GLU 41 6.833 -14.721 3.704 270 H GLY 42 H GLY 42 3.624 -12.223 4.254 271 1HA GLY 42 1HA GLY 42 1.628 -11.336 2.261 272 2HA GLY 42 2HA GLY 42 1.201 -11.622 3.936 273 H ILE 43 H ILE 43 1.528 -9.133 1.983 274 HA ILE 43 HA ILE 43 3.258 -7.555 3.740 275 HB ILE 43 HB ILE 43 2.174 -6.915 0.996 276 1HG1 ILE 43 1HG1 ILE 43 3.651 -8.698 0.641 277 2HG1 ILE 43 2HG1 ILE 43 4.612 -7.264 0.337 278 1HG2 ILE 43 1HG2 ILE 43 2.582 -4.860 2.029 279 2HG2 ILE 43 2HG2 ILE 43 4.024 -5.463 2.881 280 3HG2 ILE 43 3HG2 ILE 43 4.077 -5.195 1.122 281 1HD1 ILE 43 1HD1 ILE 43 5.333 -7.416 2.830 282 2HD1 ILE 43 2HD1 ILE 43 4.650 -9.059 2.789 283 3HD1 ILE 43 3HD1 ILE 43 5.999 -8.628 1.710 284 H PHE 44 H PHE 44 2.421 -6.043 5.104 285 HA PHE 44 HA PHE 44 -0.295 -5.130 4.608 286 1HB PHE 44 1HB PHE 44 0.823 -6.505 7.120 287 2HB PHE 44 2HB PHE 44 -0.665 -5.580 7.153 288 HD1 PHE 44 HD1 PHE 44 -2.695 -6.594 6.595 289 HD2 PHE 44 HD2 PHE 44 0.935 -8.499 5.500 290 HE1 PHE 44 HE1 PHE 44 -3.978 -8.633 5.890 291 HE2 PHE 44 HE2 PHE 44 -0.347 -10.539 4.795 292 HZ PHE 44 HZ PHE 44 -2.788 -10.581 4.998 293 H VAL 45 H VAL 45 -0.835 -3.152 5.802 294 HA VAL 45 HA VAL 45 1.589 -1.636 6.383 295 HB VAL 45 HB VAL 45 -1.272 -0.810 5.855 296 1HG1 VAL 45 1HG1 VAL 45 0.379 1.410 5.508 297 2HG1 VAL 45 2HG1 VAL 45 -0.740 1.117 6.861 298 3HG1 VAL 45 3HG1 VAL 45 0.973 0.654 7.006 299 1HG2 VAL 45 1HG2 VAL 45 1.147 -0.318 4.106 300 2HG2 VAL 45 2HG2 VAL 45 0.127 -1.768 3.941 301 3HG2 VAL 45 3HG2 VAL 45 -0.576 -0.152 3.693 302 H SER 46 H SER 46 2.236 -1.469 8.461 303 HA SER 46 HA SER 46 0.129 -1.653 10.469 304 1HB SER 46 1HB SER 46 1.799 -3.515 10.507 305 2HB SER 46 2HB SER 46 3.088 -2.350 10.732 306 HG SER 46 HG SER 46 1.331 -1.761 12.639 307 H LYS 47 H LYS 47 2.265 0.435 8.871 308 HA LYS 47 HA LYS 47 2.014 2.372 11.032 309 1HB LYS 47 1HB LYS 47 4.200 1.564 11.463 310 2HB LYS 47 2HB LYS 47 4.613 1.504 9.762 311 1HG LYS 47 1HG LYS 47 5.674 3.483 10.566 312 2HG LYS 47 2HG LYS 47 4.257 4.060 9.713 313 1HD LYS 47 1HD LYS 47 3.300 4.891 11.615 314 2HD LYS 47 2HD LYS 47 3.684 3.456 12.546 315 1HE LYS 47 1HE LYS 47 6.202 4.588 12.158 316 2HE LYS 47 2HE LYS 47 5.184 6.006 12.310 317 1HZ LYS 47 1HZ LYS 47 5.689 5.487 14.463 318 2HZ LYS 47 2HZ LYS 47 4.239 4.751 14.311 319 3HZ LYS 47 3HZ LYS 47 5.612 3.870 14.244 320 H ILE 48 H ILE 48 1.879 4.550 10.298 321 HA ILE 48 HA ILE 48 2.141 5.049 7.477 322 HB ILE 48 HB ILE 48 -0.535 4.914 8.834 323 1HG1 ILE 48 1HG1 ILE 48 0.635 3.802 6.276 324 2HG1 ILE 48 2HG1 ILE 48 0.058 2.916 7.674 325 1HG2 ILE 48 1HG2 ILE 48 -1.531 6.234 7.099 326 2HG2 ILE 48 2HG2 ILE 48 -0.232 7.188 7.855 327 3HG2 ILE 48 3HG2 ILE 48 0.033 6.422 6.270 328 1HD1 ILE 48 1HD1 ILE 48 -2.193 4.364 7.061 329 2HD1 ILE 48 2HD1 ILE 48 -1.481 4.150 5.444 330 3HD1 ILE 48 3HD1 ILE 48 -1.866 2.727 6.442 331 H VAL 49 H VAL 49 3.232 6.931 7.408 332 HA VAL 49 HA VAL 49 3.340 8.607 9.699 333 HB VAL 49 HB VAL 49 4.354 8.936 6.869 334 1HG1 VAL 49 1HG1 VAL 49 5.166 10.960 7.379 335 2HG1 VAL 49 2HG1 VAL 49 4.085 10.929 8.793 336 3HG1 VAL 49 3HG1 VAL 49 5.778 10.404 8.955 337 1HG2 VAL 49 1HG2 VAL 49 6.493 8.545 8.635 338 2HG2 VAL 49 2HG2 VAL 49 5.258 7.368 9.143 339 3HG2 VAL 49 3HG2 VAL 49 5.840 7.376 7.461 340 H ASP 50 H ASP 50 1.825 10.056 10.306 341 HA ASP 50 HA ASP 50 -0.408 10.600 8.873 342 1HB ASP 50 1HB ASP 50 1.080 12.114 11.040 343 2HB ASP 50 2HB ASP 50 -0.370 12.809 10.343 344 H SER 51 H SER 51 2.431 12.836 9.422 345 HA SER 51 HA SER 51 1.599 14.710 7.567 346 1HB SER 51 1HB SER 51 3.572 14.575 9.459 347 2HB SER 51 2HB SER 51 4.538 14.393 8.008 348 HG SER 51 HG SER 51 2.565 16.464 8.074 349 H GLY 52 H GLY 52 2.833 11.533 7.137 350 1HA GLY 52 1HA GLY 52 4.429 11.787 4.850 351 2HA GLY 52 2HA GLY 52 3.532 10.366 5.348 352 HA PRO 53 HA PRO 53 1.529 12.527 1.710 353 1HB PRO 53 1HB PRO 53 2.822 11.491 -0.464 354 2HB PRO 53 2HB PRO 53 3.185 13.070 0.205 355 1HG PRO 53 1HG PRO 53 4.733 10.561 0.427 356 2HG PRO 53 2HG PRO 53 5.264 12.207 0.708 357 1HD PRO 53 1HD PRO 53 4.630 10.244 2.702 358 2HD PRO 53 2HD PRO 53 5.049 11.923 2.980 359 H ALA 54 H ALA 54 2.076 9.552 2.940 360 HA ALA 54 HA ALA 54 0.386 8.183 1.020 361 1HB ALA 54 1HB ALA 54 2.331 7.486 3.115 362 2HB ALA 54 2HB ALA 54 0.871 6.468 3.150 363 3HB ALA 54 3HB ALA 54 1.842 6.579 1.663 364 H ALA 55 H ALA 55 0.294 9.686 4.246 365 HA ALA 55 HA ALA 55 -2.367 8.611 4.718 366 1HB ALA 55 1HB ALA 55 -1.069 8.544 6.667 367 2HB ALA 55 2HB ALA 55 -0.298 10.112 6.328 368 3HB ALA 55 3HB ALA 55 -1.991 10.053 6.873 369 H LYS 56 H LYS 56 -0.659 11.561 3.709 370 HA LYS 56 HA LYS 56 -2.740 13.369 4.178 371 1HB LYS 56 1HB LYS 56 -0.336 13.344 2.358 372 2HB LYS 56 2HB LYS 56 -1.489 14.663 2.310 373 1HG LYS 56 1HG LYS 56 -0.337 13.744 4.965 374 2HG LYS 56 2HG LYS 56 0.584 14.820 3.933 375 1HD LYS 56 1HD LYS 56 -2.300 15.433 4.694 376 2HD LYS 56 2HD LYS 56 -0.963 15.899 5.727 377 1HE LYS 56 1HE LYS 56 0.064 17.141 3.778 378 2HE LYS 56 2HE LYS 56 -1.341 16.735 2.812 379 1HZ LYS 56 1HZ LYS 56 -1.411 18.925 3.936 380 2HZ LYS 56 2HZ LYS 56 -2.707 17.979 4.239 381 3HZ LYS 56 3HZ LYS 56 -1.543 18.156 5.370 382 H GLU 57 H GLU 57 -1.683 12.521 0.839 383 HA GLU 57 HA GLU 57 -4.507 12.460 0.159 384 1HB GLU 57 1HB GLU 57 -2.027 12.865 -1.568 385 2HB GLU 57 2HB GLU 57 -3.656 12.776 -2.207 386 1HG GLU 57 1HG GLU 57 -4.328 14.735 -0.829 387 2HG GLU 57 2HG GLU 57 -2.726 14.808 -0.123 388 H GLY 58 H GLY 58 -1.594 10.515 0.412 389 1HA GLY 58 1HA GLY 58 -1.649 8.530 -1.314 390 2HA GLY 58 2HA GLY 58 -1.495 8.227 0.405 391 H GLY 59 H GLY 59 -3.798 8.359 1.622 392 1HA GLY 59 1HA GLY 59 -6.102 7.880 1.497 393 2HA GLY 59 2HA GLY 59 -5.864 7.105 -0.057 394 H LEU 60 H LEU 60 -3.244 6.207 1.874 395 HA LEU 60 HA LEU 60 -4.152 3.550 2.087 396 1HB LEU 60 1HB LEU 60 -1.774 4.510 1.847 397 2HB LEU 60 2HB LEU 60 -1.826 4.727 3.585 398 HG LEU 60 HG LEU 60 -1.933 2.409 4.002 399 1HD1 LEU 60 1HD1 LEU 60 -2.775 2.168 1.124 400 2HD1 LEU 60 2HD1 LEU 60 -2.076 0.780 1.993 401 3HD1 LEU 60 3HD1 LEU 60 -3.565 1.548 2.594 402 1HD2 LEU 60 1HD2 LEU 60 -0.126 1.970 1.761 403 2HD2 LEU 60 2HD2 LEU 60 0.177 3.522 2.579 404 3HD2 LEU 60 3HD2 LEU 60 0.200 2.006 3.511 405 H GLN 61 H GLN 61 -3.875 2.384 4.369 406 HA GLN 61 HA GLN 61 -4.740 3.968 6.556 407 1HB GLN 61 1HB GLN 61 -6.780 3.040 4.876 408 2HB GLN 61 2HB GLN 61 -6.746 1.845 6.158 409 1HG GLN 61 1HG GLN 61 -7.634 3.296 7.673 410 2HG GLN 61 2HG GLN 61 -6.498 4.560 7.247 411 1HE2 GLN 61 1HE2 GLN 61 -9.511 2.975 6.354 412 2HE2 GLN 61 2HE2 GLN 61 -10.227 4.295 5.490 413 H ILE 62 H ILE 62 -3.816 3.067 8.352 414 HA ILE 62 HA ILE 62 -2.195 0.931 8.341 415 HB ILE 62 HB ILE 62 -3.937 1.840 10.634 416 1HG1 ILE 62 1HG1 ILE 62 -1.498 2.975 9.344 417 2HG1 ILE 62 2HG1 ILE 62 -2.872 3.788 10.066 418 1HG2 ILE 62 1HG2 ILE 62 -2.214 0.930 12.085 419 2HG2 ILE 62 2HG2 ILE 62 -2.877 -0.344 11.034 420 3HG2 ILE 62 3HG2 ILE 62 -1.287 0.369 10.672 421 1HD1 ILE 62 1HD1 ILE 62 -2.088 3.141 12.336 422 2HD1 ILE 62 2HD1 ILE 62 -0.700 2.296 11.610 423 3HD1 ILE 62 3HD1 ILE 62 -0.842 4.064 11.461 424 H HIS 63 H HIS 63 -2.358 -1.297 9.168 425 HA HIS 63 HA HIS 63 -3.212 -3.316 9.059 426 1HB HIS 63 1HB HIS 63 -5.948 -2.275 9.738 427 2HB HIS 63 2HB HIS 63 -5.165 -3.756 10.254 428 HD1 HIS 63 HD1 HIS 63 -2.913 -3.258 11.879 429 HD2 HIS 63 HD2 HIS 63 -5.907 -0.330 11.650 430 HE1 HIS 63 HE1 HIS 63 -2.610 -1.765 13.926 431 H ASP 64 H ASP 64 -2.877 -2.250 6.589 432 HA ASP 64 HA ASP 64 -5.289 -3.156 5.228 433 1HB ASP 64 1HB ASP 64 -3.586 -0.717 4.799 434 2HB ASP 64 2HB ASP 64 -4.177 -1.521 3.358 435 H ARG 65 H ARG 65 -4.826 -4.930 3.910 436 HA ARG 65 HA ARG 65 -2.073 -5.607 3.559 437 1HB ARG 65 1HB ARG 65 -3.952 -7.264 4.148 438 2HB ARG 65 2HB ARG 65 -4.536 -7.081 2.506 439 1HG ARG 65 1HG ARG 65 -2.051 -7.672 1.819 440 2HG ARG 65 2HG ARG 65 -1.920 -8.293 3.452 441 1HD ARG 65 1HD ARG 65 -3.629 -9.938 3.095 442 2HD ARG 65 2HD ARG 65 -4.236 -9.127 1.665 443 HE ARG 65 HE ARG 65 -1.570 -9.751 1.060 444 1HH1 ARG 65 1HH1 ARG 65 -4.449 -11.555 1.974 445 2HH1 ARG 65 2HH1 ARG 65 -3.976 -12.989 1.125 446 1HH2 ARG 65 1HH2 ARG 65 -0.945 -11.642 -0.060 447 2HH2 ARG 65 2HH2 ARG 65 -1.969 -13.039 -0.039 448 H ILE 66 H ILE 66 -0.991 -4.595 1.883 449 HA ILE 66 HA ILE 66 -2.291 -3.473 -0.324 450 HB ILE 66 HB ILE 66 0.606 -4.283 -0.207 451 1HG1 ILE 66 1HG1 ILE 66 -0.852 -2.193 1.372 452 2HG1 ILE 66 2HG1 ILE 66 0.442 -3.267 1.865 453 1HG2 ILE 66 1HG2 ILE 66 0.926 -2.245 -1.535 454 2HG2 ILE 66 2HG2 ILE 66 -0.170 -3.395 -2.338 455 3HG2 ILE 66 3HG2 ILE 66 -0.830 -1.959 -1.518 456 1HD1 ILE 66 1HD1 ILE 66 0.635 -0.765 0.153 457 2HD1 ILE 66 2HD1 ILE 66 1.483 -1.135 1.673 458 3HD1 ILE 66 3HD1 ILE 66 1.937 -1.979 0.173 459 H ILE 67 H ILE 67 -2.518 -4.157 -2.488 460 HA ILE 67 HA ILE 67 -2.194 -7.058 -2.810 461 HB ILE 67 HB ILE 67 -4.052 -5.449 -4.499 462 1HG1 ILE 67 1HG1 ILE 67 -4.458 -4.712 -2.147 463 2HG1 ILE 67 2HG1 ILE 67 -5.823 -5.508 -2.903 464 1HG2 ILE 67 1HG2 ILE 67 -4.179 -8.254 -3.358 465 2HG2 ILE 67 2HG2 ILE 67 -5.329 -7.526 -4.505 466 3HG2 ILE 67 3HG2 ILE 67 -3.642 -7.814 -4.997 467 1HD1 ILE 67 1HD1 ILE 67 -5.316 -6.254 -0.516 468 2HD1 ILE 67 2HD1 ILE 67 -5.411 -7.571 -1.710 469 3HD1 ILE 67 3HD1 ILE 67 -3.824 -6.994 -1.145 470 H GLU 68 H GLU 68 -2.015 -3.856 -4.495 471 HA GLU 68 HA GLU 68 0.220 -4.938 -5.971 472 1HB GLU 68 1HB GLU 68 -2.339 -4.697 -7.145 473 2HB GLU 68 2HB GLU 68 -1.456 -3.301 -7.729 474 1HG GLU 68 1HG GLU 68 -0.443 -4.657 -9.238 475 2HG GLU 68 2HG GLU 68 0.407 -5.418 -7.908 476 H VAL 69 H VAL 69 1.636 -3.240 -6.869 477 HA VAL 69 HA VAL 69 1.011 -0.541 -5.967 478 HB VAL 69 HB VAL 69 2.487 -2.119 -4.364 479 1HG1 VAL 69 1HG1 VAL 69 4.243 -2.554 -5.976 480 2HG1 VAL 69 2HG1 VAL 69 4.474 -0.811 -6.252 481 3HG1 VAL 69 3HG1 VAL 69 4.885 -1.524 -4.674 482 1HG2 VAL 69 1HG2 VAL 69 1.875 0.609 -4.586 483 2HG2 VAL 69 2HG2 VAL 69 2.546 -0.233 -3.168 484 3HG2 VAL 69 3HG2 VAL 69 3.637 0.549 -4.337 485 H ASN 70 H ASN 70 1.190 0.716 -7.743 486 HA ASN 70 HA ASN 70 1.894 1.537 -9.620 487 1HB ASN 70 1HB ASN 70 4.185 1.320 -8.272 488 2HB ASN 70 2HB ASN 70 4.544 0.058 -9.433 489 1HD2 ASN 70 1HD2 ASN 70 4.475 3.372 -8.797 490 2HD2 ASN 70 2HD2 ASN 70 4.854 3.988 -10.371 491 H GLY 71 H GLY 71 0.953 -1.458 -9.247 492 1HA GLY 71 1HA GLY 71 0.126 -2.743 -11.038 493 2HA GLY 71 2HA GLY 71 1.483 -2.249 -12.030 494 H ARG 72 H ARG 72 2.860 -2.755 -9.045 495 HA ARG 72 HA ARG 72 3.682 -5.390 -9.871 496 1HB ARG 72 1HB ARG 72 5.027 -3.178 -8.745 497 2HB ARG 72 2HB ARG 72 4.934 -4.320 -7.420 498 1HG ARG 72 1HG ARG 72 5.756 -6.091 -9.195 499 2HG ARG 72 2HG ARG 72 6.237 -4.693 -10.136 500 1HD ARG 72 1HD ARG 72 7.307 -3.978 -7.728 501 2HD ARG 72 2HD ARG 72 7.362 -5.721 -7.550 502 HE ARG 72 HE ARG 72 8.379 -4.799 -10.139 503 1HH1 ARG 72 1HH1 ARG 72 9.211 -5.440 -6.780 504 2HH1 ARG 72 2HH1 ARG 72 10.899 -5.653 -7.106 505 1HH2 ARG 72 1HH2 ARG 72 10.606 -5.081 -10.569 506 2HH2 ARG 72 2HH2 ARG 72 11.697 -5.448 -9.275 507 H ASP 73 H ASP 73 2.947 -7.237 -8.846 508 HA ASP 73 HA ASP 73 1.065 -6.926 -6.761 509 1HB ASP 73 1HB ASP 73 0.592 -8.721 -8.216 510 2HB ASP 73 2HB ASP 73 2.268 -9.225 -8.305 511 H LEU 74 H LEU 74 1.473 -7.100 -4.534 512 HA LEU 74 HA LEU 74 4.080 -8.211 -3.764 513 1HB LEU 74 1HB LEU 74 2.781 -5.967 -2.259 514 2HB LEU 74 2HB LEU 74 4.448 -6.508 -2.224 515 HG LEU 74 HG LEU 74 3.111 -5.073 -4.536 516 1HD1 LEU 74 1HD1 LEU 74 4.722 -4.136 -2.204 517 2HD1 LEU 74 2HD1 LEU 74 4.972 -3.345 -3.779 518 3HD1 LEU 74 3HD1 LEU 74 3.353 -3.367 -3.041 519 1HD2 LEU 74 1HD2 LEU 74 4.729 -6.212 -5.658 520 2HD2 LEU 74 2HD2 LEU 74 5.703 -4.832 -5.096 521 3HD2 LEU 74 3HD2 LEU 74 5.770 -6.382 -4.224 522 H SER 75 H SER 75 0.850 -8.772 -3.860 523 HA SER 75 HA SER 75 0.079 -9.227 -1.285 524 1HB SER 75 1HB SER 75 -1.574 -9.408 -2.978 525 2HB SER 75 2HB SER 75 -0.623 -10.536 -3.924 526 HG SER 75 HG SER 75 -1.173 -12.214 -2.590 527 H ARG 76 H ARG 76 2.063 -11.234 -3.512 528 HA ARG 76 HA ARG 76 2.395 -13.111 -1.314 529 1HB ARG 76 1HB ARG 76 3.153 -14.732 -3.102 530 2HB ARG 76 2HB ARG 76 1.493 -14.208 -3.305 531 1HG ARG 76 1HG ARG 76 1.954 -12.999 -5.224 532 2HG ARG 76 2HG ARG 76 3.544 -12.513 -4.671 533 1HD ARG 76 1HD ARG 76 4.455 -14.756 -5.164 534 2HD ARG 76 2HD ARG 76 2.860 -15.350 -5.581 535 HE ARG 76 HE ARG 76 4.576 -13.619 -7.231 536 1HH1 ARG 76 1HH1 ARG 76 1.322 -14.850 -6.705 537 2HH1 ARG 76 2HH1 ARG 76 0.804 -14.538 -8.328 538 1HH2 ARG 76 1HH2 ARG 76 3.893 -13.208 -9.373 539 2HH2 ARG 76 2HH2 ARG 76 2.276 -13.598 -9.856 540 H ALA 77 H ALA 77 3.782 -10.432 -1.904 541 HA ALA 77 HA ALA 77 6.495 -11.375 -2.448 542 1HB ALA 77 1HB ALA 77 6.996 -8.975 -2.716 543 2HB ALA 77 2HB ALA 77 5.630 -9.459 -3.750 544 3HB ALA 77 3HB ALA 77 5.330 -8.568 -2.239 545 H THR 78 H THR 78 8.140 -9.838 -1.042 546 HA THR 78 HA THR 78 7.271 -10.190 1.753 547 HB THR 78 HB THR 78 9.432 -11.054 2.234 548 HG1 THR 78 HG1 THR 78 10.189 -10.051 -0.413 549 1HG2 THR 78 1HG2 THR 78 8.292 -12.666 0.678 550 2HG2 THR 78 2HG2 THR 78 9.003 -11.803 -0.707 551 3HG2 THR 78 3HG2 THR 78 10.056 -12.664 0.441 552 H HIS 79 H HIS 79 8.899 -8.833 3.240 553 HA HIS 79 HA HIS 79 8.219 -6.186 2.748 554 1HB HIS 79 1HB HIS 79 8.646 -7.177 4.972 555 2HB HIS 79 2HB HIS 79 10.350 -7.309 4.588 556 HD1 HIS 79 HD1 HIS 79 11.760 -5.093 4.534 557 HD2 HIS 79 HD2 HIS 79 7.747 -4.587 5.645 558 HE1 HIS 79 HE1 HIS 79 11.582 -2.746 5.520 559 H ASP 80 H ASP 80 11.073 -8.137 1.888 560 HA ASP 80 HA ASP 80 12.757 -6.011 1.313 561 1HB ASP 80 1HB ASP 80 12.639 -8.919 0.837 562 2HB ASP 80 2HB ASP 80 13.414 -8.077 -0.491 563 H GLN 81 H GLN 81 10.607 -8.093 -0.767 564 HA GLN 81 HA GLN 81 11.161 -6.689 -3.114 565 1HB GLN 81 1HB GLN 81 8.896 -8.546 -2.293 566 2HB GLN 81 2HB GLN 81 8.997 -7.863 -3.903 567 1HG GLN 81 1HG GLN 81 11.603 -8.898 -3.255 568 2HG GLN 81 2HG GLN 81 10.435 -10.127 -2.813 569 1HE2 GLN 81 1HE2 GLN 81 9.679 -11.410 -4.324 570 2HE2 GLN 81 2HE2 GLN 81 9.773 -11.172 -6.037 571 H ALA 82 H ALA 82 8.384 -6.568 -0.781 572 HA ALA 82 HA ALA 82 6.842 -4.710 -2.077 573 1HB ALA 82 1HB ALA 82 6.182 -5.986 -0.068 574 2HB ALA 82 2HB ALA 82 7.327 -5.040 0.912 575 3HB ALA 82 3HB ALA 82 5.923 -4.241 0.166 576 H VAL 83 H VAL 83 9.551 -4.161 0.274 577 HA VAL 83 HA VAL 83 9.396 -1.394 0.282 578 HB VAL 83 HB VAL 83 11.632 -3.363 0.734 579 1HG1 VAL 83 1HG1 VAL 83 11.731 -0.357 1.166 580 2HG1 VAL 83 2HG1 VAL 83 12.968 -1.530 1.681 581 3HG1 VAL 83 3HG1 VAL 83 12.651 -1.273 -0.052 582 1HG2 VAL 83 1HG2 VAL 83 10.376 -1.554 2.789 583 2HG2 VAL 83 2HG2 VAL 83 9.558 -3.054 2.288 584 3HG2 VAL 83 3HG2 VAL 83 11.186 -3.124 3.004 585 H GLU 84 H GLU 84 11.516 -3.572 -1.715 586 HA GLU 84 HA GLU 84 12.702 -1.599 -3.167 587 1HB GLU 84 1HB GLU 84 13.433 -3.938 -3.231 588 2HB GLU 84 2HB GLU 84 11.937 -4.431 -3.999 589 1HG GLU 84 1HG GLU 84 12.544 -3.570 -6.073 590 2HG GLU 84 2HG GLU 84 13.484 -2.262 -5.381 591 H ALA 85 H ALA 85 9.504 -3.169 -3.613 592 HA ALA 85 HA ALA 85 8.947 -2.186 -6.155 593 1HB ALA 85 1HB ALA 85 6.681 -2.797 -5.654 594 2HB ALA 85 2HB ALA 85 7.724 -3.966 -4.809 595 3HB ALA 85 3HB ALA 85 6.957 -2.640 -3.903 596 H PHE 86 H PHE 86 8.037 -0.856 -2.893 597 HA PHE 86 HA PHE 86 6.927 1.489 -3.949 598 1HB PHE 86 1HB PHE 86 8.029 0.476 -1.291 599 2HB PHE 86 2HB PHE 86 7.584 2.166 -1.412 600 HD1 PHE 86 HD1 PHE 86 5.177 2.667 -2.258 601 HD2 PHE 86 HD2 PHE 86 6.410 -1.105 -0.756 602 HE1 PHE 86 HE1 PHE 86 2.784 2.073 -1.787 603 HE2 PHE 86 HE2 PHE 86 4.017 -1.700 -0.286 604 HZ PHE 86 HZ PHE 86 2.233 -0.104 -0.807 605 H LYS 87 H LYS 87 10.244 0.483 -3.283 606 HA LYS 87 HA LYS 87 11.261 3.155 -3.147 607 1HB LYS 87 1HB LYS 87 12.182 0.535 -2.544 608 2HB LYS 87 2HB LYS 87 13.275 1.190 -3.746 609 1HG LYS 87 1HG LYS 87 13.103 3.386 -2.194 610 2HG LYS 87 2HG LYS 87 12.671 2.207 -0.971 611 1HD LYS 87 1HD LYS 87 14.835 0.943 -2.063 612 2HD LYS 87 2HD LYS 87 15.281 2.605 -2.391 613 1HE LYS 87 1HE LYS 87 14.242 2.343 0.336 614 2HE LYS 87 2HE LYS 87 15.557 1.216 0.069 615 1HZ LYS 87 1HZ LYS 87 16.790 3.001 0.494 616 2HZ LYS 87 2HZ LYS 87 16.508 3.420 -1.060 617 3HZ LYS 87 3HZ LYS 87 15.613 4.076 0.138 618 H THR 88 H THR 88 11.135 0.499 -5.598 619 HA THR 88 HA THR 88 12.311 2.262 -7.580 620 HB THR 88 HB THR 88 12.209 0.186 -8.966 621 HG1 THR 88 HG1 THR 88 10.798 -1.388 -8.257 622 1HG2 THR 88 1HG2 THR 88 14.158 0.056 -7.593 623 2HG2 THR 88 2HG2 THR 88 13.199 -0.068 -6.098 624 3HG2 THR 88 3HG2 THR 88 13.295 -1.453 -7.212 625 H ALA 89 H ALA 89 9.290 1.986 -6.203 626 HA ALA 89 HA ALA 89 7.657 1.971 -8.504 627 1HB ALA 89 1HB ALA 89 6.047 3.089 -6.763 628 2HB ALA 89 2HB ALA 89 6.578 1.410 -6.504 629 3HB ALA 89 3HB ALA 89 7.347 2.736 -5.599 630 H LYS 90 H LYS 90 6.607 3.737 -9.577 631 HA LYS 90 HA LYS 90 8.013 6.288 -9.188 632 1HB LYS 90 1HB LYS 90 7.368 4.719 -11.631 633 2HB LYS 90 2HB LYS 90 7.145 6.453 -11.741 634 1HG LYS 90 1HG LYS 90 9.702 5.106 -10.751 635 2HG LYS 90 2HG LYS 90 9.465 5.696 -12.383 636 1HD LYS 90 1HD LYS 90 8.810 7.715 -10.315 637 2HD LYS 90 2HD LYS 90 10.479 7.184 -10.249 638 1HE LYS 90 1HE LYS 90 10.615 7.609 -12.775 639 2HE LYS 90 2HE LYS 90 9.027 8.342 -12.673 640 1HZ LYS 90 1HZ LYS 90 10.024 9.788 -10.906 641 2HZ LYS 90 2HZ LYS 90 11.491 9.240 -11.371 642 3HZ LYS 90 3HZ LYS 90 10.552 10.059 -12.427 643 H GLU 91 H GLU 91 6.738 8.241 -9.505 644 HA GLU 91 HA GLU 91 4.031 7.770 -8.634 645 1HB GLU 91 1HB GLU 91 5.439 10.450 -8.953 646 2HB GLU 91 2HB GLU 91 4.017 10.104 -7.988 647 1HG GLU 91 1HG GLU 91 5.254 8.901 -6.352 648 2HG GLU 91 2HG GLU 91 6.599 8.613 -7.437 649 HA PRO 92 HA PRO 92 2.323 8.775 -8.548 650 1HB PRO 92 1HB PRO 92 -0.207 8.064 -9.298 651 2HB PRO 92 2HB PRO 92 0.295 9.728 -9.079 652 1HG PRO 92 1HG PRO 92 -0.170 8.248 -11.596 653 2HG PRO 92 2HG PRO 92 -0.088 9.980 -11.339 654 1HD PRO 92 1HD PRO 92 1.951 8.317 -12.480 655 2HD PRO 92 2HD PRO 92 2.075 10.027 -12.117 656 H ILE 93 H ILE 93 2.033 7.100 -7.097 657 HA ILE 93 HA ILE 93 2.577 4.528 -8.363 658 HB ILE 93 HB ILE 93 2.769 5.402 -5.478 659 1HG1 ILE 93 1HG1 ILE 93 5.115 4.788 -7.254 660 2HG1 ILE 93 2HG1 ILE 93 4.373 6.374 -7.315 661 1HG2 ILE 93 1HG2 ILE 93 3.534 3.319 -4.909 662 2HG2 ILE 93 2HG2 ILE 93 2.336 2.894 -6.154 663 3HG2 ILE 93 3HG2 ILE 93 4.068 2.934 -6.563 664 1HD1 ILE 93 1HD1 ILE 93 5.081 6.949 -5.195 665 2HD1 ILE 93 2HD1 ILE 93 4.914 5.288 -4.577 666 3HD1 ILE 93 3HD1 ILE 93 6.334 5.736 -5.552 667 H VAL 94 H VAL 94 0.838 3.319 -8.883 668 HA VAL 94 HA VAL 94 -1.649 3.779 -7.498 669 HB VAL 94 HB VAL 94 -1.159 3.338 -10.034 670 1HG1 VAL 94 1HG1 VAL 94 -1.216 1.101 -10.774 671 2HG1 VAL 94 2HG1 VAL 94 -0.041 1.105 -9.438 672 3HG1 VAL 94 3HG1 VAL 94 -1.689 0.489 -9.171 673 1HG2 VAL 94 1HG2 VAL 94 -3.369 3.765 -9.538 674 2HG2 VAL 94 2HG2 VAL 94 -3.477 2.074 -10.083 675 3HG2 VAL 94 3HG2 VAL 94 -3.472 2.450 -8.343 676 H VAL 95 H VAL 95 -1.986 2.857 -5.543 677 HA VAL 95 HA VAL 95 -0.928 0.138 -5.182 678 HB VAL 95 HB VAL 95 -1.520 1.756 -2.793 679 1HG1 VAL 95 1HG1 VAL 95 -0.451 -0.128 -2.133 680 2HG1 VAL 95 2HG1 VAL 95 0.371 -0.342 -3.697 681 3HG1 VAL 95 3HG1 VAL 95 1.011 0.817 -2.507 682 1HG2 VAL 95 1HG2 VAL 95 0.698 2.964 -2.980 683 2HG2 VAL 95 2HG2 VAL 95 0.694 2.541 -4.709 684 3HG2 VAL 95 3HG2 VAL 95 -0.598 3.567 -4.041 685 H GLN 96 H GLN 96 -2.285 -1.356 -3.999 686 HA GLN 96 HA GLN 96 -5.018 -0.430 -3.678 687 1HB GLN 96 1HB GLN 96 -5.209 -1.484 -5.786 688 2HB GLN 96 2HB GLN 96 -4.057 -2.740 -5.379 689 1HG GLN 96 1HG GLN 96 -5.616 -3.979 -4.146 690 2HG GLN 96 2HG GLN 96 -6.567 -2.570 -3.720 691 1HE2 GLN 96 1HE2 GLN 96 -8.126 -1.794 -5.074 692 2HE2 GLN 96 2HE2 GLN 96 -8.697 -2.628 -6.480 693 H VAL 97 H VAL 97 -6.238 -1.592 -2.055 694 HA VAL 97 HA VAL 97 -4.695 -3.563 -0.543 695 HB VAL 97 HB VAL 97 -5.502 -2.428 1.547 696 1HG1 VAL 97 1HG1 VAL 97 -3.793 -0.377 1.038 697 2HG1 VAL 97 2HG1 VAL 97 -3.277 -2.041 1.400 698 3HG1 VAL 97 3HG1 VAL 97 -3.374 -1.487 -0.288 699 1HG2 VAL 97 1HG2 VAL 97 -6.948 -0.738 1.384 700 2HG2 VAL 97 2HG2 VAL 97 -5.668 0.240 0.627 701 3HG2 VAL 97 3HG2 VAL 97 -6.779 -0.711 -0.388 702 H LEU 98 H LEU 98 -6.171 -4.746 1.057 703 HA LEU 98 HA LEU 98 -8.806 -5.028 -0.209 704 1HB LEU 98 1HB LEU 98 -6.767 -6.937 0.670 705 2HB LEU 98 2HB LEU 98 -8.371 -7.311 1.268 706 HG LEU 98 HG LEU 98 -9.244 -7.664 -0.860 707 1HD1 LEU 98 1HD1 LEU 98 -7.384 -5.590 -1.651 708 2HD1 LEU 98 2HD1 LEU 98 -7.350 -6.956 -2.792 709 3HD1 LEU 98 3HD1 LEU 98 -8.888 -6.136 -2.431 710 1HD2 LEU 98 1HD2 LEU 98 -8.105 -9.582 -0.872 711 2HD2 LEU 98 2HD2 LEU 98 -7.039 -8.803 -2.066 712 3HD2 LEU 98 3HD2 LEU 98 -6.599 -8.797 -0.341 713 H ARG 99 H ARG 99 -10.262 -3.852 0.938 714 HA ARG 99 HA ARG 99 -9.913 -3.815 3.810 715 1HB ARG 99 1HB ARG 99 -11.270 -2.040 1.794 716 2HB ARG 99 2HB ARG 99 -11.995 -2.104 3.388 717 1HG ARG 99 1HG ARG 99 -9.751 -1.554 4.401 718 2HG ARG 99 2HG ARG 99 -9.077 -1.423 2.788 719 1HD ARG 99 1HD ARG 99 -11.287 0.234 2.576 720 2HD ARG 99 2HD ARG 99 -10.851 0.469 4.256 721 HE ARG 99 HE ARG 99 -8.433 0.623 2.820 722 1HH1 ARG 99 1HH1 ARG 99 -11.487 2.369 2.903 723 2HH1 ARG 99 2HH1 ARG 99 -10.788 3.873 2.404 724 1HH2 ARG 99 1HH2 ARG 99 -7.510 2.607 2.161 725 2HH2 ARG 99 2HH2 ARG 99 -8.510 4.009 1.979 726 H ARG 100 H ARG 100 -11.563 -4.572 5.242 727 HA ARG 100 HA ARG 100 -13.390 -5.559 5.894 728 1HB ARG 100 1HB ARG 100 -14.427 -5.637 3.021 729 2HB ARG 100 2HB ARG 100 -15.378 -5.784 4.485 730 1HG ARG 100 1HG ARG 100 -13.747 -3.294 3.812 731 2HG ARG 100 2HG ARG 100 -15.427 -3.483 3.354 732 1HD ARG 100 1HD ARG 100 -16.182 -3.097 5.486 733 2HD ARG 100 2HD ARG 100 -14.945 -4.106 6.209 734 HE ARG 100 HE ARG 100 -13.668 -1.756 5.225 735 1HH1 ARG 100 1HH1 ARG 100 -15.978 -2.686 7.711 736 2HH1 ARG 100 2HH1 ARG 100 -15.557 -1.382 8.771 737 1HH2 ARG 100 1HH2 ARG 100 -13.112 -0.035 6.623 738 2HH2 ARG 100 2HH2 ARG 100 -13.916 0.136 8.147 739 H THR 101 H THR 101 -14.732 -7.776 5.369 740 HA THR 101 HA THR 101 -13.432 -9.634 3.661 741 HB THR 101 HB THR 101 -11.654 -9.594 5.326 742 HG1 THR 101 HG1 THR 101 -11.851 -11.798 5.323 743 1HG2 THR 101 1HG2 THR 101 -11.965 -9.556 7.636 744 2HG2 THR 101 2HG2 THR 101 -13.465 -8.721 7.164 745 3HG2 THR 101 3HG2 THR 101 -13.496 -10.460 7.542 746 H SER 102 H SER 102 -15.821 -9.353 3.172 747 HA SER 102 HA SER 102 -17.686 -10.496 3.004 748 1HB SER 102 1HB SER 102 -16.148 -12.336 4.457 749 2HB SER 102 2HB SER 102 -17.589 -12.156 5.437 750 HG SER 102 HG SER 102 -18.886 -12.857 3.743 751 H GLY 103 H GLY 103 -19.351 -9.099 3.451 752 1HA GLY 103 1HA GLY 103 -20.868 -7.908 4.603 753 2HA GLY 103 2HA GLY 103 -20.612 -9.003 5.947 754 HA PRO 104 HA PRO 104 -18.687 -4.813 6.719 755 1HB PRO 104 1HB PRO 104 -20.721 -3.373 7.841 756 2HB PRO 104 2HB PRO 104 -20.251 -3.218 6.160 757 1HG PRO 104 1HG PRO 104 -22.609 -4.584 7.307 758 2HG PRO 104 2HG PRO 104 -22.341 -4.053 5.658 759 1HD PRO 104 1HD PRO 104 -22.165 -6.740 6.646 760 2HD PRO 104 2HD PRO 104 -21.785 -6.193 5.026 761 H SER 105 H SER 105 -18.671 -3.515 8.964 762 HA SER 105 HA SER 105 -19.555 -4.878 11.169 763 1HB SER 105 1HB SER 105 -17.697 -6.490 10.092 764 2HB SER 105 2HB SER 105 -16.600 -5.421 10.944 765 HG SER 105 HG SER 105 -17.656 -5.920 12.929 766 H SER 106 H SER 106 -19.883 -2.801 12.018 767 HA SER 106 HA SER 106 -17.544 -1.088 12.132 768 1HB SER 106 1HB SER 106 -20.522 -0.622 12.272 769 2HB SER 106 2HB SER 106 -19.459 0.543 13.035 770 HG SER 106 HG SER 106 -19.787 -0.082 10.279 771 H GLY 107 H GLY 107 -17.111 0.088 14.223 772 1HA GLY 107 1HA GLY 107 -16.794 0.151 16.448 773 2HA GLY 107 2HA GLY 107 -18.341 -0.649 16.645 Start of MODEL 10 1 1H GLY 1 1H GLY 1 -25.969 -15.456 -8.958 2 1HA GLY 1 1HA GLY 1 -23.920 -13.993 -8.945 3 2HA GLY 1 2HA GLY 1 -25.038 -12.656 -9.132 4 H SER 2 H SER 2 -24.193 -15.440 -6.993 5 HA SER 2 HA SER 2 -24.881 -13.756 -4.755 6 1HB SER 2 1HB SER 2 -26.784 -15.503 -5.552 7 2HB SER 2 2HB SER 2 -25.821 -16.606 -4.589 8 HG SER 2 HG SER 2 -27.590 -15.414 -3.441 9 H SER 3 H SER 3 -22.901 -13.680 -3.741 10 HA SER 3 HA SER 3 -21.867 -15.927 -2.533 11 1HB SER 3 1HB SER 3 -21.192 -16.036 -5.187 12 2HB SER 3 2HB SER 3 -19.835 -15.116 -4.568 13 HG SER 3 HG SER 3 -20.035 -17.720 -4.516 14 H GLY 4 H GLY 4 -20.596 -15.194 -0.829 15 1HA GLY 4 1HA GLY 4 -19.160 -12.663 -1.125 16 2HA GLY 4 2HA GLY 4 -20.431 -12.734 0.079 17 H SER 5 H SER 5 -17.267 -12.673 0.049 18 HA SER 5 HA SER 5 -17.009 -14.081 2.440 19 1HB SER 5 1HB SER 5 -16.989 -16.031 0.846 20 2HB SER 5 2HB SER 5 -15.581 -15.346 0.059 21 HG SER 5 HG SER 5 -14.870 -16.884 1.584 22 H SER 6 H SER 6 -15.011 -13.310 -0.512 23 HA SER 6 HA SER 6 -12.844 -12.409 0.969 24 1HB SER 6 1HB SER 6 -13.393 -12.914 -1.711 25 2HB SER 6 2HB SER 6 -13.187 -11.173 -1.702 26 HG SER 6 HG SER 6 -11.288 -12.927 -0.416 27 H GLY 7 H GLY 7 -11.968 -10.045 0.772 28 1HA GLY 7 1HA GLY 7 -14.018 -8.282 1.800 29 2HA GLY 7 2HA GLY 7 -12.293 -7.989 1.710 30 H LYS 8 H LYS 8 -12.633 -5.850 0.838 31 HA LYS 8 HA LYS 8 -13.551 -5.905 -1.953 32 1HB LYS 8 1HB LYS 8 -13.950 -3.831 0.206 33 2HB LYS 8 2HB LYS 8 -14.065 -3.422 -1.493 34 1HG LYS 8 1HG LYS 8 -16.290 -3.974 -1.013 35 2HG LYS 8 2HG LYS 8 -15.693 -5.500 -1.634 36 1HD LYS 8 1HD LYS 8 -15.041 -5.746 1.036 37 2HD LYS 8 2HD LYS 8 -16.488 -4.764 1.146 38 1HE LYS 8 1HE LYS 8 -17.300 -6.639 -0.702 39 2HE LYS 8 2HE LYS 8 -16.181 -7.596 0.248 40 1HZ LYS 8 1HZ LYS 8 -18.595 -6.226 1.146 41 2HZ LYS 8 2HZ LYS 8 -18.164 -7.786 1.359 42 3HZ LYS 8 3HZ LYS 8 -17.424 -6.611 2.218 43 H SER 9 H SER 9 -12.357 -4.609 -3.471 44 HA SER 9 HA SER 9 -9.655 -4.122 -2.501 45 1HB SER 9 1HB SER 9 -8.917 -4.449 -4.821 46 2HB SER 9 2HB SER 9 -9.862 -5.828 -4.293 47 HG SER 9 HG SER 9 -10.810 -5.407 -6.214 48 H LEU 10 H LEU 10 -8.844 -2.035 -2.552 49 HA LEU 10 HA LEU 10 -10.368 -0.081 -4.124 50 1HB LEU 10 1HB LEU 10 -9.132 0.818 -1.591 51 2HB LEU 10 2HB LEU 10 -10.590 1.361 -2.398 52 HG LEU 10 HG LEU 10 -10.461 -1.322 -1.020 53 1HD1 LEU 10 1HD1 LEU 10 -11.027 1.380 0.215 54 2HD1 LEU 10 2HD1 LEU 10 -11.559 -0.159 0.935 55 3HD1 LEU 10 3HD1 LEU 10 -9.823 0.166 0.712 56 1HD2 LEU 10 1HD2 LEU 10 -12.482 -1.491 -1.937 57 2HD2 LEU 10 2HD2 LEU 10 -13.009 -0.235 -0.791 58 3HD2 LEU 10 3HD2 LEU 10 -12.487 0.219 -2.431 59 H THR 11 H THR 11 -9.080 1.840 -4.762 60 HA THR 11 HA THR 11 -6.247 1.089 -5.053 61 HB THR 11 HB THR 11 -7.642 3.070 -6.857 62 HG1 THR 11 HG1 THR 11 -7.858 0.142 -6.789 63 1HG2 THR 11 1HG2 THR 11 -5.331 2.554 -7.426 64 2HG2 THR 11 2HG2 THR 11 -5.605 0.812 -7.188 65 3HG2 THR 11 3HG2 THR 11 -6.350 1.649 -8.570 66 H LEU 12 H LEU 12 -4.624 2.538 -4.570 67 HA LEU 12 HA LEU 12 -5.477 5.158 -3.611 68 1HB LEU 12 1HB LEU 12 -3.456 4.132 -1.863 69 2HB LEU 12 2HB LEU 12 -5.036 4.790 -1.486 70 HG LEU 12 HG LEU 12 -5.685 2.265 -2.357 71 1HD1 LEU 12 1HD1 LEU 12 -2.878 2.233 -1.468 72 2HD1 LEU 12 2HD1 LEU 12 -3.926 1.034 -0.674 73 3HD1 LEU 12 3HD1 LEU 12 -3.794 1.063 -2.449 74 1HD2 LEU 12 1HD2 LEU 12 -5.716 3.775 0.071 75 2HD2 LEU 12 2HD2 LEU 12 -6.771 2.433 -0.433 76 3HD2 LEU 12 3HD2 LEU 12 -5.259 2.095 0.444 77 H VAL 13 H VAL 13 -4.035 6.791 -4.109 78 HA VAL 13 HA VAL 13 -1.741 5.924 -5.697 79 HB VAL 13 HB VAL 13 -3.738 7.736 -6.179 80 1HG1 VAL 13 1HG1 VAL 13 -1.284 9.294 -5.297 81 2HG1 VAL 13 2HG1 VAL 13 -2.678 9.970 -6.174 82 3HG1 VAL 13 3HG1 VAL 13 -2.891 9.321 -4.530 83 1HG2 VAL 13 1HG2 VAL 13 -1.197 6.935 -7.369 84 2HG2 VAL 13 2HG2 VAL 13 -2.760 7.292 -8.142 85 3HG2 VAL 13 3HG2 VAL 13 -1.627 8.614 -7.773 86 H LEU 14 H LEU 14 0.211 5.858 -4.723 87 HA LEU 14 HA LEU 14 0.565 7.548 -2.356 88 1HB LEU 14 1HB LEU 14 1.909 4.999 -3.250 89 2HB LEU 14 2HB LEU 14 2.484 5.976 -1.913 90 HG LEU 14 HG LEU 14 -0.175 4.540 -2.109 91 1HD1 LEU 14 1HD1 LEU 14 2.390 3.725 -1.198 92 2HD1 LEU 14 2HD1 LEU 14 1.338 3.897 0.227 93 3HD1 LEU 14 3HD1 LEU 14 0.847 2.841 -1.120 94 1HD2 LEU 14 1HD2 LEU 14 -0.496 5.331 0.264 95 2HD2 LEU 14 2HD2 LEU 14 0.831 6.483 -0.021 96 3HD2 LEU 14 3HD2 LEU 14 -0.656 6.581 -0.994 97 H HIS 15 H HIS 15 2.633 8.676 -2.084 98 HA HIS 15 HA HIS 15 4.034 9.086 -4.612 99 1HB HIS 15 1HB HIS 15 2.802 11.205 -2.847 100 2HB HIS 15 2HB HIS 15 4.132 11.565 -3.930 101 HD1 HIS 15 HD1 HIS 15 3.649 11.544 -6.501 102 HD2 HIS 15 HD2 HIS 15 0.307 10.728 -4.101 103 HE1 HIS 15 HE1 HIS 15 1.613 11.724 -8.027 104 H ARG 16 H ARG 16 6.177 10.327 -4.187 105 HA ARG 16 HA ARG 16 7.217 9.308 -1.666 106 1HB ARG 16 1HB ARG 16 8.559 9.709 -4.381 107 2HB ARG 16 2HB ARG 16 9.479 9.396 -2.922 108 1HG ARG 16 1HG ARG 16 7.794 7.344 -2.655 109 2HG ARG 16 2HG ARG 16 7.553 7.569 -4.376 110 1HD ARG 16 1HD ARG 16 9.341 5.972 -4.174 111 2HD ARG 16 2HD ARG 16 10.105 7.476 -4.648 112 HE ARG 16 HE ARG 16 10.011 7.326 -1.777 113 1HH1 ARG 16 1HH1 ARG 16 11.677 5.914 -4.536 114 2HH1 ARG 16 2HH1 ARG 16 13.111 5.538 -3.640 115 1HH2 ARG 16 1HH2 ARG 16 11.903 6.831 -0.595 116 2HH2 ARG 16 2HH2 ARG 16 13.241 6.064 -1.383 117 H ASP 17 H ASP 17 6.930 11.178 -0.365 118 HA ASP 17 HA ASP 17 7.735 13.705 -1.425 119 1HB ASP 17 1HB ASP 17 5.881 13.887 0.018 120 2HB ASP 17 2HB ASP 17 6.504 12.691 1.138 121 H SER 18 H SER 18 10.069 13.071 -1.760 122 HA SER 18 HA SER 18 12.152 13.392 -1.152 123 1HB SER 18 1HB SER 18 10.909 14.678 0.936 124 2HB SER 18 2HB SER 18 11.766 13.420 1.805 125 HG SER 18 HG SER 18 13.635 14.404 1.427 126 H GLY 19 H GLY 19 11.392 10.904 -1.759 127 1HA GLY 19 1HA GLY 19 11.748 8.703 -1.452 128 2HA GLY 19 2HA GLY 19 13.197 9.198 -0.599 129 H SER 20 H SER 20 9.629 9.405 0.106 130 HA SER 20 HA SER 20 9.902 7.571 2.241 131 1HB SER 20 1HB SER 20 10.822 9.744 3.214 132 2HB SER 20 2HB SER 20 9.232 10.447 2.995 133 HG SER 20 HG SER 20 8.789 9.621 4.916 134 H LEU 21 H LEU 21 8.180 6.495 1.142 135 HA LEU 21 HA LEU 21 5.944 7.621 0.075 136 1HB LEU 21 1HB LEU 21 6.420 4.971 1.417 137 2HB LEU 21 2HB LEU 21 4.869 5.378 0.711 138 HG LEU 21 HG LEU 21 6.275 4.024 -0.787 139 1HD1 LEU 21 1HD1 LEU 21 6.309 6.014 -2.666 140 2HD1 LEU 21 2HD1 LEU 21 4.884 5.049 -2.211 141 3HD1 LEU 21 3HD1 LEU 21 5.146 6.649 -1.478 142 1HD2 LEU 21 1HD2 LEU 21 8.464 4.913 -0.015 143 2HD2 LEU 21 2HD2 LEU 21 8.294 4.870 -1.786 144 3HD2 LEU 21 3HD2 LEU 21 8.134 6.413 -0.914 145 H GLY 22 H GLY 22 6.645 6.853 3.515 146 1HA GLY 22 1HA GLY 22 5.774 8.198 5.238 147 2HA GLY 22 2HA GLY 22 4.375 8.574 4.251 148 H PHE 23 H PHE 23 5.931 5.372 4.950 149 HA PHE 23 HA PHE 23 4.103 4.557 6.872 150 1HB PHE 23 1HB PHE 23 2.484 3.350 5.568 151 2HB PHE 23 2HB PHE 23 2.687 4.829 4.650 152 HD1 PHE 23 HD1 PHE 23 2.375 1.439 4.304 153 HD2 PHE 23 HD2 PHE 23 4.836 4.618 2.947 154 HE1 PHE 23 HE1 PHE 23 2.993 0.095 2.276 155 HE2 PHE 23 HE2 PHE 23 5.454 3.275 0.919 156 HZ PHE 23 HZ PHE 23 4.526 1.029 0.608 157 H ASN 24 H ASN 24 4.019 1.938 6.845 158 HA ASN 24 HA ASN 24 6.534 0.974 5.781 159 1HB ASN 24 1HB ASN 24 6.068 1.558 8.561 160 2HB ASN 24 2HB ASN 24 6.074 -0.188 8.414 161 1HD2 ASN 24 1HD2 ASN 24 7.997 -0.409 9.500 162 2HD2 ASN 24 2HD2 ASN 24 9.537 0.006 8.826 163 H ILE 25 H ILE 25 6.586 -1.559 6.040 164 HA ILE 25 HA ILE 25 3.847 -2.612 6.058 165 HB ILE 25 HB ILE 25 5.012 -4.251 4.300 166 1HG1 ILE 25 1HG1 ILE 25 6.312 -1.574 3.719 167 2HG1 ILE 25 2HG1 ILE 25 7.150 -2.965 4.377 168 1HG2 ILE 25 1HG2 ILE 25 4.102 -2.271 2.621 169 2HG2 ILE 25 2HG2 ILE 25 3.100 -3.510 3.413 170 3HG2 ILE 25 3HG2 ILE 25 3.271 -1.899 4.150 171 1HD1 ILE 25 1HD1 ILE 25 7.360 -3.891 2.322 172 2HD1 ILE 25 2HD1 ILE 25 5.607 -3.763 2.036 173 3HD1 ILE 25 3HD1 ILE 25 6.675 -2.395 1.642 174 H ILE 26 H ILE 26 3.808 -5.031 6.466 175 HA ILE 26 HA ILE 26 6.131 -5.864 8.041 176 HB ILE 26 HB ILE 26 4.881 -6.458 9.895 177 1HG1 ILE 26 1HG1 ILE 26 2.298 -5.969 8.388 178 2HG1 ILE 26 2HG1 ILE 26 3.040 -7.546 8.571 179 1HG2 ILE 26 1HG2 ILE 26 5.161 -3.943 9.429 180 2HG2 ILE 26 2HG2 ILE 26 3.411 -3.950 9.102 181 3HG2 ILE 26 3HG2 ILE 26 4.020 -4.444 10.700 182 1HD1 ILE 26 1HD1 ILE 26 1.248 -7.002 10.295 183 2HD1 ILE 26 2HD1 ILE 26 2.819 -7.475 10.985 184 3HD1 ILE 26 3HD1 ILE 26 2.345 -5.760 10.943 185 H GLY 27 H GLY 27 6.133 -8.276 8.417 186 1HA GLY 27 1HA GLY 27 5.565 -10.424 7.798 187 2HA GLY 27 2HA GLY 27 4.483 -9.807 6.565 188 H GLY 28 H GLY 28 7.913 -10.423 7.405 189 1HA GLY 28 1HA GLY 28 8.539 -11.117 4.711 190 2HA GLY 28 2HA GLY 28 9.188 -9.543 5.127 191 H ARG 29 H ARG 29 9.977 -12.757 4.986 192 HA ARG 29 HA ARG 29 11.972 -12.374 7.059 193 1HB ARG 29 1HB ARG 29 10.290 -14.872 6.551 194 2HB ARG 29 2HB ARG 29 11.779 -14.923 7.474 195 1HG ARG 29 1HG ARG 29 10.590 -14.323 9.309 196 2HG ARG 29 2HG ARG 29 10.347 -12.749 8.580 197 1HD ARG 29 1HD ARG 29 8.186 -13.250 7.864 198 2HD ARG 29 2HD ARG 29 8.537 -14.951 7.628 199 HE ARG 29 HE ARG 29 7.495 -13.745 10.035 200 1HH1 ARG 29 1HH1 ARG 29 9.650 -16.300 8.935 201 2HH1 ARG 29 2HH1 ARG 29 9.429 -17.272 10.351 202 1HH2 ARG 29 1HH2 ARG 29 7.203 -15.027 11.904 203 2HH2 ARG 29 2HH2 ARG 29 8.028 -16.543 12.052 204 HA PRO 30 HA PRO 30 14.634 -13.731 3.881 205 1HB PRO 30 1HB PRO 30 16.840 -14.484 5.307 206 2HB PRO 30 2HB PRO 30 16.474 -12.815 4.920 207 1HG PRO 30 1HG PRO 30 16.188 -14.224 7.503 208 2HG PRO 30 2HG PRO 30 16.239 -12.500 7.192 209 1HD PRO 30 1HD PRO 30 13.911 -14.071 7.776 210 2HD PRO 30 2HD PRO 30 13.949 -12.371 7.352 211 H SER 31 H SER 31 16.212 -15.601 3.202 212 HA SER 31 HA SER 31 14.532 -17.847 3.208 213 1HB SER 31 1HB SER 31 17.352 -17.312 2.220 214 2HB SER 31 2HB SER 31 16.656 -18.917 2.116 215 HG SER 31 HG SER 31 14.744 -17.469 1.113 216 H VAL 32 H VAL 32 15.504 -20.135 3.779 217 HA VAL 32 HA VAL 32 16.669 -19.891 6.458 218 HB VAL 32 HB VAL 32 15.663 -22.043 6.902 219 1HG1 VAL 32 1HG1 VAL 32 14.302 -20.032 7.267 220 2HG1 VAL 32 2HG1 VAL 32 13.678 -20.145 5.604 221 3HG1 VAL 32 3HG1 VAL 32 13.292 -21.417 6.788 222 1HG2 VAL 32 1HG2 VAL 32 14.289 -23.232 5.299 223 2HG2 VAL 32 2HG2 VAL 32 14.551 -21.964 4.077 224 3HG2 VAL 32 3HG2 VAL 32 15.911 -22.982 4.609 225 H ASP 33 H ASP 33 17.120 -21.098 3.177 226 HA ASP 33 HA ASP 33 19.814 -21.493 3.574 227 1HB ASP 33 1HB ASP 33 18.073 -23.877 4.042 228 2HB ASP 33 2HB ASP 33 19.428 -24.154 2.966 229 H ASN 34 H ASN 34 17.482 -23.715 1.886 230 HA ASN 34 HA ASN 34 17.559 -22.238 -0.509 231 1HB ASN 34 1HB ASN 34 19.860 -23.508 -0.377 232 2HB ASN 34 2HB ASN 34 18.924 -24.962 -0.660 233 1HD2 ASN 34 1HD2 ASN 34 19.857 -25.359 -2.631 234 2HD2 ASN 34 2HD2 ASN 34 19.525 -24.436 -4.059 235 H HIS 35 H HIS 35 17.239 -25.482 1.083 236 HA HIS 35 HA HIS 35 15.397 -26.550 -0.701 237 1HB HIS 35 1HB HIS 35 16.600 -27.234 1.829 238 2HB HIS 35 2HB HIS 35 14.888 -27.606 1.880 239 HD1 HIS 35 HD1 HIS 35 16.869 -29.924 1.927 240 HD2 HIS 35 HD2 HIS 35 15.262 -28.350 -1.613 241 HE1 HIS 35 HE1 HIS 35 17.060 -31.768 0.174 242 H ASP 36 H ASP 36 13.380 -25.871 -1.198 243 HA ASP 36 HA ASP 36 12.099 -24.058 0.609 244 1HB ASP 36 1HB ASP 36 11.192 -25.201 -2.075 245 2HB ASP 36 2HB ASP 36 10.381 -23.908 -1.215 246 H GLY 37 H GLY 37 9.929 -24.471 1.516 247 1HA GLY 37 1HA GLY 37 8.532 -26.900 1.096 248 2HA GLY 37 2HA GLY 37 9.510 -27.016 2.546 249 H SER 38 H SER 38 6.711 -25.506 1.018 250 HA SER 38 HA SER 38 5.014 -24.410 1.808 251 1HB SER 38 1HB SER 38 6.052 -25.332 4.523 252 2HB SER 38 2HB SER 38 4.505 -24.539 4.295 253 HG SER 38 HG SER 38 4.097 -26.754 4.250 254 H SER 39 H SER 39 4.710 -22.199 1.925 255 HA SER 39 HA SER 39 6.020 -20.627 3.826 256 1HB SER 39 1HB SER 39 7.347 -19.221 2.155 257 2HB SER 39 2HB SER 39 8.020 -20.795 2.527 258 HG SER 39 HG SER 39 6.349 -21.168 0.449 259 H SER 40 H SER 40 4.769 -18.782 4.112 260 HA SER 40 HA SER 40 3.287 -17.814 1.835 261 1HB SER 40 1HB SER 40 1.962 -18.665 4.448 262 2HB SER 40 2HB SER 40 1.161 -17.739 3.194 263 HG SER 40 HG SER 40 2.238 -19.852 1.945 264 H GLU 41 H GLU 41 3.850 -15.670 1.783 265 HA GLU 41 HA GLU 41 4.204 -14.373 4.370 266 1HB GLU 41 1HB GLU 41 5.426 -13.756 1.648 267 2HB GLU 41 2HB GLU 41 5.580 -12.691 3.030 268 1HG GLU 41 1HG GLU 41 7.418 -13.907 3.594 269 2HG GLU 41 2HG GLU 41 6.305 -15.160 4.107 270 H GLY 42 H GLY 42 3.519 -12.039 4.489 271 1HA GLY 42 1HA GLY 42 1.503 -11.272 2.502 272 2HA GLY 42 2HA GLY 42 0.991 -11.474 4.166 273 H ILE 43 H ILE 43 1.458 -9.065 2.180 274 HA ILE 43 HA ILE 43 3.233 -7.512 3.914 275 HB ILE 43 HB ILE 43 2.191 -6.880 1.151 276 1HG1 ILE 43 1HG1 ILE 43 3.572 -8.770 0.872 277 2HG1 ILE 43 2HG1 ILE 43 4.573 -7.389 0.470 278 1HG2 ILE 43 1HG2 ILE 43 4.372 -5.358 1.403 279 2HG2 ILE 43 2HG2 ILE 43 2.751 -4.810 1.892 280 3HG2 ILE 43 3HG2 ILE 43 3.889 -5.426 3.114 281 1HD1 ILE 43 1HD1 ILE 43 5.109 -7.553 3.139 282 2HD1 ILE 43 2HD1 ILE 43 4.763 -9.263 2.789 283 3HD1 ILE 43 3HD1 ILE 43 6.053 -8.416 1.901 284 H PHE 44 H PHE 44 2.325 -6.252 5.440 285 HA PHE 44 HA PHE 44 -0.306 -5.124 4.829 286 1HB PHE 44 1HB PHE 44 0.734 -6.546 7.348 287 2HB PHE 44 2HB PHE 44 -0.716 -5.563 7.374 288 HD1 PHE 44 HD1 PHE 44 0.783 -8.558 5.773 289 HD2 PHE 44 HD2 PHE 44 -2.783 -6.471 6.740 290 HE1 PHE 44 HE1 PHE 44 -0.574 -10.541 5.047 291 HE2 PHE 44 HE2 PHE 44 -4.140 -8.454 6.014 292 HZ PHE 44 HZ PHE 44 -3.019 -10.465 5.176 293 H VAL 45 H VAL 45 -0.788 -3.119 5.981 294 HA VAL 45 HA VAL 45 1.656 -1.652 6.532 295 HB VAL 45 HB VAL 45 -1.230 -0.832 6.163 296 1HG1 VAL 45 1HG1 VAL 45 -0.765 1.175 7.015 297 2HG1 VAL 45 2HG1 VAL 45 0.845 0.582 7.491 298 3HG1 VAL 45 3HG1 VAL 45 0.614 1.357 5.905 299 1HG2 VAL 45 1HG2 VAL 45 0.366 -1.671 4.217 300 2HG2 VAL 45 2HG2 VAL 45 -0.725 -0.283 3.990 301 3HG2 VAL 45 3HG2 VAL 45 1.000 -0.012 4.339 302 H SER 46 H SER 46 2.383 -1.247 8.558 303 HA SER 46 HA SER 46 0.460 -1.718 10.700 304 1HB SER 46 1HB SER 46 2.343 -3.329 10.668 305 2HB SER 46 2HB SER 46 3.497 -2.012 10.709 306 HG SER 46 HG SER 46 2.502 -1.375 12.801 307 H LYS 47 H LYS 47 2.569 0.547 9.092 308 HA LYS 47 HA LYS 47 1.958 2.510 11.173 309 1HB LYS 47 1HB LYS 47 4.427 1.454 11.081 310 2HB LYS 47 2HB LYS 47 4.627 2.690 9.855 311 1HG LYS 47 1HG LYS 47 3.295 4.108 11.823 312 2HG LYS 47 2HG LYS 47 4.224 2.983 12.793 313 1HD LYS 47 1HD LYS 47 6.283 3.663 11.404 314 2HD LYS 47 2HD LYS 47 5.301 4.940 10.716 315 1HE LYS 47 1HE LYS 47 5.217 6.152 12.707 316 2HE LYS 47 2HE LYS 47 5.315 4.722 13.715 317 1HZ LYS 47 1HZ LYS 47 7.342 6.034 13.728 318 2HZ LYS 47 2HZ LYS 47 7.619 4.526 13.167 319 3HZ LYS 47 3HZ LYS 47 7.549 5.783 12.128 320 H ILE 48 H ILE 48 1.839 4.722 10.368 321 HA ILE 48 HA ILE 48 2.048 5.130 7.540 322 HB ILE 48 HB ILE 48 -0.604 4.772 8.872 323 1HG1 ILE 48 1HG1 ILE 48 0.717 3.883 6.317 324 2HG1 ILE 48 2HG1 ILE 48 0.017 2.910 7.594 325 1HG2 ILE 48 1HG2 ILE 48 -0.159 6.536 6.449 326 2HG2 ILE 48 2HG2 ILE 48 -1.719 6.099 7.185 327 3HG2 ILE 48 3HG2 ILE 48 -0.565 7.114 8.083 328 1HD1 ILE 48 1HD1 ILE 48 -1.519 4.705 5.660 329 2HD1 ILE 48 2HD1 ILE 48 -1.489 2.925 5.656 330 3HD1 ILE 48 3HD1 ILE 48 -2.257 3.799 7.003 331 H VAL 49 H VAL 49 3.158 7.007 7.535 332 HA VAL 49 HA VAL 49 3.087 8.775 9.734 333 HB VAL 49 HB VAL 49 4.671 10.010 8.555 334 1HG1 VAL 49 1HG1 VAL 49 6.290 8.424 7.874 335 2HG1 VAL 49 2HG1 VAL 49 5.270 7.579 9.063 336 3HG1 VAL 49 3HG1 VAL 49 5.050 7.271 7.324 337 1HG2 VAL 49 1HG2 VAL 49 3.552 8.816 5.997 338 2HG2 VAL 49 2HG2 VAL 49 3.427 10.506 6.541 339 3HG2 VAL 49 3HG2 VAL 49 5.011 9.831 6.089 340 H ASP 50 H ASP 50 2.247 10.948 9.836 341 HA ASP 50 HA ASP 50 -0.298 11.108 8.614 342 1HB ASP 50 1HB ASP 50 1.167 12.398 10.772 343 2HB ASP 50 2HB ASP 50 0.442 13.630 9.759 344 H SER 51 H SER 51 2.188 13.743 8.886 345 HA SER 51 HA SER 51 1.508 15.302 6.915 346 1HB SER 51 1HB SER 51 4.026 14.626 8.213 347 2HB SER 51 2HB SER 51 4.322 15.059 6.541 348 HG SER 51 HG SER 51 3.637 17.107 6.884 349 H GLY 52 H GLY 52 3.570 12.345 6.443 350 1HA GLY 52 1HA GLY 52 4.219 12.315 3.885 351 2HA GLY 52 2HA GLY 52 3.545 10.902 4.671 352 HA PRO 53 HA PRO 53 0.665 12.676 1.419 353 1HB PRO 53 1HB PRO 53 1.590 11.669 -0.947 354 2HB PRO 53 2HB PRO 53 1.913 13.305 -0.410 355 1HG PRO 53 1HG PRO 53 3.730 10.974 -0.447 356 2HG PRO 53 2HG PRO 53 4.130 12.676 -0.326 357 1HD PRO 53 1HD PRO 53 4.127 10.758 1.807 358 2HD PRO 53 2HD PRO 53 4.413 12.481 1.947 359 H ALA 54 H ALA 54 1.951 9.722 2.322 360 HA ALA 54 HA ALA 54 0.106 8.096 0.890 361 1HB ALA 54 1HB ALA 54 2.205 7.156 1.577 362 2HB ALA 54 2HB ALA 54 1.945 7.647 3.268 363 3HB ALA 54 3HB ALA 54 0.944 6.362 2.550 364 H ALA 55 H ALA 55 0.106 9.935 3.919 365 HA ALA 55 HA ALA 55 -2.334 8.595 4.781 366 1HB ALA 55 1HB ALA 55 -0.903 8.868 6.601 367 2HB ALA 55 2HB ALA 55 -0.296 10.438 6.022 368 3HB ALA 55 3HB ALA 55 -1.923 10.320 6.734 369 H LYS 56 H LYS 56 -1.068 11.724 3.560 370 HA LYS 56 HA LYS 56 -3.330 13.256 4.009 371 1HB LYS 56 1HB LYS 56 -0.908 13.398 2.322 372 2HB LYS 56 2HB LYS 56 -2.275 14.311 1.714 373 1HG LYS 56 1HG LYS 56 -2.070 14.701 4.590 374 2HG LYS 56 2HG LYS 56 -0.511 15.017 3.855 375 1HD LYS 56 1HD LYS 56 -2.648 16.187 2.235 376 2HD LYS 56 2HD LYS 56 -2.774 16.739 3.894 377 1HE LYS 56 1HE LYS 56 -0.953 18.081 3.670 378 2HE LYS 56 2HE LYS 56 0.023 16.761 3.057 379 1HZ LYS 56 1HZ LYS 56 -0.090 18.183 1.293 380 2HZ LYS 56 2HZ LYS 56 -1.311 17.163 0.924 381 3HZ LYS 56 3HZ LYS 56 -1.637 18.630 1.565 382 H GLU 57 H GLU 57 -2.425 12.301 0.654 383 HA GLU 57 HA GLU 57 -5.260 11.859 0.210 384 1HB GLU 57 1HB GLU 57 -2.984 12.352 -1.761 385 2HB GLU 57 2HB GLU 57 -4.657 12.104 -2.220 386 1HG GLU 57 1HG GLU 57 -5.029 14.086 -0.401 387 2HG GLU 57 2HG GLU 57 -3.386 14.471 -0.873 388 H GLY 58 H GLY 58 -2.135 10.272 0.388 389 1HA GLY 58 1HA GLY 58 -2.037 8.166 -1.164 390 2HA GLY 58 2HA GLY 58 -1.805 8.006 0.566 391 H GLY 59 H GLY 59 -4.201 8.153 1.769 392 1HA GLY 59 1HA GLY 59 -6.397 7.377 1.776 393 2HA GLY 59 2HA GLY 59 -6.117 6.513 0.278 394 H LEU 60 H LEU 60 -3.343 5.745 1.741 395 HA LEU 60 HA LEU 60 -4.040 3.146 2.332 396 1HB LEU 60 1HB LEU 60 -1.752 4.398 1.945 397 2HB LEU 60 2HB LEU 60 -1.728 4.456 3.697 398 HG LEU 60 HG LEU 60 -1.687 2.090 3.890 399 1HD1 LEU 60 1HD1 LEU 60 -1.715 0.673 1.729 400 2HD1 LEU 60 2HD1 LEU 60 -3.259 1.267 2.387 401 3HD1 LEU 60 3HD1 LEU 60 -2.510 2.086 0.995 402 1HD2 LEU 60 1HD2 LEU 60 0.122 2.777 1.560 403 2HD2 LEU 60 2HD2 LEU 60 0.444 3.203 3.258 404 3HD2 LEU 60 3HD2 LEU 60 0.357 1.493 2.770 405 H GLN 61 H GLN 61 -3.673 2.086 4.592 406 HA GLN 61 HA GLN 61 -4.308 3.678 6.822 407 1HB GLN 61 1HB GLN 61 -6.529 2.372 5.335 408 2HB GLN 61 2HB GLN 61 -6.527 2.056 7.058 409 1HG GLN 61 1HG GLN 61 -7.232 4.164 7.529 410 2HG GLN 61 2HG GLN 61 -5.949 4.875 6.570 411 1HE2 GLN 61 1HE2 GLN 61 -8.781 2.815 5.894 412 2HE2 GLN 61 2HE2 GLN 61 -9.470 3.794 4.642 413 H ILE 62 H ILE 62 -3.431 2.654 8.586 414 HA ILE 62 HA ILE 62 -1.954 0.419 8.445 415 HB ILE 62 HB ILE 62 -3.557 1.226 10.871 416 1HG1 ILE 62 1HG1 ILE 62 -1.610 2.742 9.351 417 2HG1 ILE 62 2HG1 ILE 62 -2.608 3.236 10.704 418 1HG2 ILE 62 1HG2 ILE 62 -1.873 0.226 12.167 419 2HG2 ILE 62 2HG2 ILE 62 -2.212 -0.943 10.868 420 3HG2 ILE 62 3HG2 ILE 62 -0.763 0.088 10.781 421 1HD1 ILE 62 1HD1 ILE 62 -0.949 1.983 12.228 422 2HD1 ILE 62 2HD1 ILE 62 0.111 1.872 10.802 423 3HD1 ILE 62 3HD1 ILE 62 -0.342 3.466 11.453 424 H HIS 63 H HIS 63 -2.203 -1.829 8.967 425 HA HIS 63 HA HIS 63 -3.216 -3.776 8.992 426 1HB HIS 63 1HB HIS 63 -5.925 -2.615 9.522 427 2HB HIS 63 2HB HIS 63 -5.200 -4.087 10.139 428 HD1 HIS 63 HD1 HIS 63 -6.204 -0.910 11.311 429 HD2 HIS 63 HD2 HIS 63 -2.768 -3.243 11.899 430 HE1 HIS 63 HE1 HIS 63 -5.117 -0.054 13.455 431 H ASP 64 H ASP 64 -2.866 -2.257 6.558 432 HA ASP 64 HA ASP 64 -5.187 -3.215 5.074 433 1HB ASP 64 1HB ASP 64 -3.413 -0.800 4.789 434 2HB ASP 64 2HB ASP 64 -4.008 -1.525 3.309 435 H ARG 65 H ARG 65 -4.691 -5.003 3.796 436 HA ARG 65 HA ARG 65 -1.932 -5.648 3.438 437 1HB ARG 65 1HB ARG 65 -3.849 -7.305 4.003 438 2HB ARG 65 2HB ARG 65 -4.344 -7.157 2.329 439 1HG ARG 65 1HG ARG 65 -1.851 -7.748 1.755 440 2HG ARG 65 2HG ARG 65 -1.740 -8.282 3.421 441 1HD ARG 65 1HD ARG 65 -3.630 -9.860 3.069 442 2HD ARG 65 2HD ARG 65 -3.823 -9.292 1.422 443 HE ARG 65 HE ARG 65 -1.116 -10.093 1.695 444 1HH1 ARG 65 1HH1 ARG 65 -4.311 -11.565 1.807 445 2HH1 ARG 65 2HH1 ARG 65 -3.756 -13.114 1.264 446 1HH2 ARG 65 1HH2 ARG 65 -0.384 -12.136 0.979 447 2HH2 ARG 65 2HH2 ARG 65 -1.508 -13.441 0.790 448 H ILE 66 H ILE 66 -0.850 -4.646 1.760 449 HA ILE 66 HA ILE 66 -2.169 -3.518 -0.441 450 HB ILE 66 HB ILE 66 0.736 -4.281 -0.379 451 1HG1 ILE 66 1HG1 ILE 66 -0.707 -2.304 1.349 452 2HG1 ILE 66 2HG1 ILE 66 0.616 -3.382 1.747 453 1HG2 ILE 66 1HG2 ILE 66 -0.037 -3.296 -2.441 454 2HG2 ILE 66 2HG2 ILE 66 -0.800 -1.951 -1.558 455 3HG2 ILE 66 3HG2 ILE 66 0.972 -2.118 -1.567 456 1HD1 ILE 66 1HD1 ILE 66 1.604 -1.213 1.648 457 2HD1 ILE 66 2HD1 ILE 66 2.053 -1.981 0.106 458 3HD1 ILE 66 3HD1 ILE 66 0.728 -0.793 0.157 459 H ILE 67 H ILE 67 -2.528 -4.234 -2.543 460 HA ILE 67 HA ILE 67 -2.104 -7.114 -2.896 461 HB ILE 67 HB ILE 67 -4.008 -5.484 -4.529 462 1HG1 ILE 67 1HG1 ILE 67 -4.338 -4.979 -2.051 463 2HG1 ILE 67 2HG1 ILE 67 -5.729 -5.565 -2.942 464 1HG2 ILE 67 1HG2 ILE 67 -4.400 -7.492 -5.387 465 2HG2 ILE 67 2HG2 ILE 67 -3.338 -8.268 -4.189 466 3HG2 ILE 67 3HG2 ILE 67 -5.055 -7.994 -3.810 467 1HD1 ILE 67 1HD1 ILE 67 -5.784 -7.578 -1.818 468 2HD1 ILE 67 2HD1 ILE 67 -4.012 -7.669 -1.681 469 3HD1 ILE 67 3HD1 ILE 67 -4.938 -6.630 -0.572 470 H GLU 68 H GLU 68 -1.897 -3.886 -4.507 471 HA GLU 68 HA GLU 68 0.332 -4.925 -6.000 472 1HB GLU 68 1HB GLU 68 -2.222 -4.806 -7.197 473 2HB GLU 68 2HB GLU 68 -1.398 -3.377 -7.791 474 1HG GLU 68 1HG GLU 68 -0.287 -4.689 -9.267 475 2HG GLU 68 2HG GLU 68 0.548 -5.436 -7.920 476 H VAL 69 H VAL 69 1.709 -3.201 -6.884 477 HA VAL 69 HA VAL 69 0.972 -0.508 -6.047 478 HB VAL 69 HB VAL 69 2.458 -1.986 -4.380 479 1HG1 VAL 69 1HG1 VAL 69 4.827 -1.549 -4.655 480 2HG1 VAL 69 2HG1 VAL 69 4.209 -2.378 -6.105 481 3HG1 VAL 69 3HG1 VAL 69 4.520 -0.625 -6.146 482 1HG2 VAL 69 1HG2 VAL 69 2.312 -0.048 -3.290 483 2HG2 VAL 69 2HG2 VAL 69 3.625 0.617 -4.291 484 3HG2 VAL 69 3HG2 VAL 69 1.932 0.791 -4.813 485 H ASN 70 H ASN 70 1.185 0.770 -7.803 486 HA ASN 70 HA ASN 70 1.868 1.563 -9.701 487 1HB ASN 70 1HB ASN 70 4.126 1.515 -8.321 488 2HB ASN 70 2HB ASN 70 4.570 0.192 -9.381 489 1HD2 ASN 70 1HD2 ASN 70 4.512 3.502 -8.951 490 2HD2 ASN 70 2HD2 ASN 70 4.868 4.036 -10.560 491 H GLY 71 H GLY 71 0.999 -1.433 -9.320 492 1HA GLY 71 1HA GLY 71 0.277 -2.777 -11.110 493 2HA GLY 71 2HA GLY 71 1.655 -2.265 -12.063 494 H ARG 72 H ARG 72 2.971 -2.666 -9.048 495 HA ARG 72 HA ARG 72 3.877 -5.297 -9.784 496 1HB ARG 72 1HB ARG 72 5.047 -2.996 -8.504 497 2HB ARG 72 2HB ARG 72 5.097 -4.307 -7.341 498 1HG ARG 72 1HG ARG 72 5.885 -5.586 -9.686 499 2HG ARG 72 2HG ARG 72 6.579 -3.991 -9.893 500 1HD ARG 72 1HD ARG 72 7.482 -4.252 -7.461 501 2HD ARG 72 2HD ARG 72 7.061 -5.946 -7.607 502 HE ARG 72 HE ARG 72 8.683 -4.890 -9.830 503 1HH1 ARG 72 1HH1 ARG 72 8.695 -6.503 -6.703 504 2HH1 ARG 72 2HH1 ARG 72 10.272 -7.187 -6.918 505 1HH2 ARG 72 1HH2 ARG 72 10.764 -5.792 -10.115 506 2HH2 ARG 72 2HH2 ARG 72 11.456 -6.780 -8.873 507 H ASP 73 H ASP 73 3.248 -7.156 -8.692 508 HA ASP 73 HA ASP 73 1.249 -6.866 -6.707 509 1HB ASP 73 1HB ASP 73 0.908 -8.732 -8.098 510 2HB ASP 73 2HB ASP 73 2.611 -9.142 -8.142 511 H LEU 74 H LEU 74 1.478 -7.281 -4.443 512 HA LEU 74 HA LEU 74 4.040 -8.282 -3.505 513 1HB LEU 74 1HB LEU 74 2.967 -5.768 -2.279 514 2HB LEU 74 2HB LEU 74 4.568 -6.469 -2.158 515 HG LEU 74 HG LEU 74 3.456 -5.277 -4.709 516 1HD1 LEU 74 1HD1 LEU 74 3.545 -3.369 -3.459 517 2HD1 LEU 74 2HD1 LEU 74 4.810 -3.998 -2.376 518 3HD1 LEU 74 3HD1 LEU 74 5.235 -3.443 -4.013 519 1HD2 LEU 74 1HD2 LEU 74 6.339 -5.289 -4.409 520 2HD2 LEU 74 2HD2 LEU 74 5.664 -6.930 -4.273 521 3HD2 LEU 74 3HD2 LEU 74 5.322 -5.944 -5.714 522 H SER 75 H SER 75 1.149 -9.172 -3.750 523 HA SER 75 HA SER 75 0.029 -9.013 -1.195 524 1HB SER 75 1HB SER 75 -1.576 -10.640 -2.008 525 2HB SER 75 2HB SER 75 -1.225 -9.524 -3.313 526 HG SER 75 HG SER 75 -0.029 -11.067 -4.386 527 H ARG 76 H ARG 76 2.051 -11.473 -2.909 528 HA ARG 76 HA ARG 76 2.299 -12.831 -0.347 529 1HB ARG 76 1HB ARG 76 3.117 -14.791 -1.830 530 2HB ARG 76 2HB ARG 76 1.412 -14.396 -1.928 531 1HG ARG 76 1HG ARG 76 1.700 -13.217 -4.019 532 2HG ARG 76 2HG ARG 76 3.444 -13.195 -3.853 533 1HD ARG 76 1HD ARG 76 1.792 -15.749 -4.154 534 2HD ARG 76 2HD ARG 76 2.594 -14.939 -5.484 535 HE ARG 76 HE ARG 76 4.652 -15.263 -3.689 536 1HH1 ARG 76 1HH1 ARG 76 2.262 -17.490 -4.998 537 2HH1 ARG 76 2HH1 ARG 76 3.296 -18.874 -4.873 538 1HH2 ARG 76 1HH2 ARG 76 6.016 -17.088 -3.524 539 2HH2 ARG 76 2HH2 ARG 76 5.446 -18.644 -4.029 540 H ALA 77 H ALA 77 3.796 -10.469 -1.928 541 HA ALA 77 HA ALA 77 6.431 -11.515 -2.263 542 1HB ALA 77 1HB ALA 77 5.413 -8.650 -2.085 543 2HB ALA 77 2HB ALA 77 6.997 -9.169 -2.709 544 3HB ALA 77 3HB ALA 77 5.509 -9.617 -3.576 545 H THR 78 H THR 78 8.289 -10.204 -1.051 546 HA THR 78 HA THR 78 7.660 -10.466 1.805 547 HB THR 78 HB THR 78 9.925 -11.139 2.055 548 HG1 THR 78 HG1 THR 78 10.331 -10.024 -0.625 549 1HG2 THR 78 1HG2 THR 78 8.751 -12.795 0.540 550 2HG2 THR 78 2HG2 THR 78 9.331 -11.864 -0.862 551 3HG2 THR 78 3HG2 THR 78 10.496 -12.679 0.208 552 H HIS 79 H HIS 79 8.600 -8.928 3.330 553 HA HIS 79 HA HIS 79 7.912 -6.361 2.760 554 1HB HIS 79 1HB HIS 79 8.183 -7.136 5.013 555 2HB HIS 79 2HB HIS 79 9.885 -7.471 4.766 556 HD1 HIS 79 HD1 HIS 79 11.524 -5.390 4.641 557 HD2 HIS 79 HD2 HIS 79 7.551 -4.476 5.630 558 HE1 HIS 79 HE1 HIS 79 11.545 -3.008 5.557 559 H ASP 80 H ASP 80 10.826 -8.120 1.867 560 HA ASP 80 HA ASP 80 12.419 -5.844 1.459 561 1HB ASP 80 1HB ASP 80 12.607 -8.732 1.130 562 2HB ASP 80 2HB ASP 80 13.236 -7.948 -0.305 563 H GLN 81 H GLN 81 10.391 -8.016 -0.627 564 HA GLN 81 HA GLN 81 11.015 -6.731 -3.018 565 1HB GLN 81 1HB GLN 81 8.859 -8.624 -2.088 566 2HB GLN 81 2HB GLN 81 8.667 -7.847 -3.647 567 1HG GLN 81 1HG GLN 81 11.306 -8.654 -3.792 568 2HG GLN 81 2HG GLN 81 10.627 -9.925 -2.793 569 1HE2 GLN 81 1HE2 GLN 81 9.904 -11.602 -3.837 570 2HE2 GLN 81 2HE2 GLN 81 9.235 -11.646 -5.434 571 H ALA 82 H ALA 82 8.099 -6.500 -0.855 572 HA ALA 82 HA ALA 82 6.701 -4.620 -2.259 573 1HB ALA 82 1HB ALA 82 5.775 -5.756 -0.340 574 2HB ALA 82 2HB ALA 82 7.009 -5.056 0.736 575 3HB ALA 82 3HB ALA 82 5.766 -4.010 0.008 576 H VAL 83 H VAL 83 9.233 -4.067 0.286 577 HA VAL 83 HA VAL 83 9.167 -1.316 0.248 578 HB VAL 83 HB VAL 83 11.330 -3.338 0.795 579 1HG1 VAL 83 1HG1 VAL 83 12.423 -1.274 -0.004 580 2HG1 VAL 83 2HG1 VAL 83 11.530 -0.336 1.217 581 3HG1 VAL 83 3HG1 VAL 83 12.720 -1.557 1.728 582 1HG2 VAL 83 1HG2 VAL 83 10.692 -3.218 2.972 583 2HG2 VAL 83 2HG2 VAL 83 10.280 -1.490 2.874 584 3HG2 VAL 83 3HG2 VAL 83 9.146 -2.712 2.252 585 H GLU 84 H GLU 84 11.313 -3.536 -1.673 586 HA GLU 84 HA GLU 84 12.588 -1.586 -3.081 587 1HB GLU 84 1HB GLU 84 13.327 -3.897 -3.151 588 2HB GLU 84 2HB GLU 84 11.819 -4.425 -3.871 589 1HG GLU 84 1HG GLU 84 12.371 -3.621 -5.984 590 2HG GLU 84 2HG GLU 84 13.326 -2.294 -5.354 591 H ALA 85 H ALA 85 9.446 -3.227 -3.775 592 HA ALA 85 HA ALA 85 8.987 -2.190 -6.286 593 1HB ALA 85 1HB ALA 85 7.555 -3.895 -5.497 594 2HB ALA 85 2HB ALA 85 7.200 -3.023 -3.987 595 3HB ALA 85 3HB ALA 85 6.521 -2.447 -5.528 596 H PHE 86 H PHE 86 8.002 -0.839 -3.057 597 HA PHE 86 HA PHE 86 6.910 1.500 -4.136 598 1HB PHE 86 1HB PHE 86 8.025 0.534 -1.461 599 2HB PHE 86 2HB PHE 86 7.533 2.209 -1.612 600 HD1 PHE 86 HD1 PHE 86 5.111 2.607 -2.511 601 HD2 PHE 86 HD2 PHE 86 6.455 -1.065 -0.861 602 HE1 PHE 86 HE1 PHE 86 2.735 1.951 -2.035 603 HE2 PHE 86 HE2 PHE 86 4.079 -1.720 -0.384 604 HZ PHE 86 HZ PHE 86 2.248 -0.204 -0.977 605 H LYS 87 H LYS 87 10.226 0.505 -3.408 606 HA LYS 87 HA LYS 87 11.250 3.167 -3.297 607 1HB LYS 87 1HB LYS 87 12.147 0.611 -2.597 608 2HB LYS 87 2HB LYS 87 13.191 1.085 -3.922 609 1HG LYS 87 1HG LYS 87 13.236 3.421 -2.573 610 2HG LYS 87 2HG LYS 87 12.838 2.379 -1.222 611 1HD LYS 87 1HD LYS 87 14.875 0.950 -2.479 612 2HD LYS 87 2HD LYS 87 15.376 2.609 -2.741 613 1HE LYS 87 1HE LYS 87 15.988 2.849 -0.565 614 2HE LYS 87 2HE LYS 87 14.424 2.296 -0.001 615 1HZ LYS 87 1HZ LYS 87 16.439 0.414 -0.985 616 2HZ LYS 87 2HZ LYS 87 16.412 0.902 0.573 617 3HZ LYS 87 3HZ LYS 87 15.135 0.101 -0.054 618 H THR 88 H THR 88 11.059 0.534 -5.763 619 HA THR 88 HA THR 88 12.244 2.304 -7.741 620 HB THR 88 HB THR 88 12.120 0.225 -9.139 621 HG1 THR 88 HG1 THR 88 10.092 -0.501 -8.099 622 1HG2 THR 88 1HG2 THR 88 13.157 -1.378 -7.185 623 2HG2 THR 88 2HG2 THR 88 14.103 -0.086 -7.961 624 3HG2 THR 88 3HG2 THR 88 13.325 0.203 -6.386 625 H ALA 89 H ALA 89 9.268 2.129 -6.334 626 HA ALA 89 HA ALA 89 7.622 2.095 -8.653 627 1HB ALA 89 1HB ALA 89 5.958 3.071 -6.929 628 2HB ALA 89 2HB ALA 89 6.606 1.443 -6.618 629 3HB ALA 89 3HB ALA 89 7.262 2.845 -5.739 630 H LYS 90 H LYS 90 6.504 3.906 -9.618 631 HA LYS 90 HA LYS 90 7.868 6.461 -9.124 632 1HB LYS 90 1HB LYS 90 7.402 4.959 -11.644 633 2HB LYS 90 2HB LYS 90 7.104 6.684 -11.712 634 1HG LYS 90 1HG LYS 90 9.670 5.436 -10.620 635 2HG LYS 90 2HG LYS 90 9.490 6.028 -12.259 636 1HD LYS 90 1HD LYS 90 8.648 7.984 -10.187 637 2HD LYS 90 2HD LYS 90 10.343 7.547 -10.094 638 1HE LYS 90 1HE LYS 90 10.582 8.070 -12.552 639 2HE LYS 90 2HE LYS 90 8.904 8.575 -12.588 640 1HZ LYS 90 1HZ LYS 90 10.236 10.467 -12.254 641 2HZ LYS 90 2HZ LYS 90 9.496 10.182 -10.826 642 3HZ LYS 90 3HZ LYS 90 11.069 9.790 -11.023 643 H GLU 91 H GLU 91 6.546 8.390 -9.465 644 HA GLU 91 HA GLU 91 3.832 7.824 -8.693 645 1HB GLU 91 1HB GLU 91 5.161 10.549 -8.975 646 2HB GLU 91 2HB GLU 91 3.716 10.164 -8.062 647 1HG GLU 91 1HG GLU 91 4.933 8.983 -6.386 648 2HG GLU 91 2HG GLU 91 6.333 8.769 -7.416 649 HA PRO 92 HA PRO 92 2.095 8.816 -8.646 650 1HB PRO 92 1HB PRO 92 -0.404 8.052 -9.446 651 2HB PRO 92 2HB PRO 92 0.063 9.727 -9.233 652 1HG PRO 92 1HG PRO 92 -0.318 8.214 -11.744 653 2HG PRO 92 2HG PRO 92 -0.273 9.950 -11.504 654 1HD PRO 92 1HD PRO 92 1.821 8.311 -12.581 655 2HD PRO 92 2HD PRO 92 1.906 10.027 -12.233 656 H ILE 93 H ILE 93 1.945 7.162 -7.187 657 HA ILE 93 HA ILE 93 2.506 4.585 -8.417 658 HB ILE 93 HB ILE 93 2.676 5.544 -5.559 659 1HG1 ILE 93 1HG1 ILE 93 5.007 4.800 -7.310 660 2HG1 ILE 93 2HG1 ILE 93 4.307 6.404 -7.415 661 1HG2 ILE 93 1HG2 ILE 93 2.460 2.902 -6.535 662 2HG2 ILE 93 2HG2 ILE 93 4.166 3.146 -6.090 663 3HG2 ILE 93 3HG2 ILE 93 2.882 3.440 -4.892 664 1HD1 ILE 93 1HD1 ILE 93 6.265 5.863 -5.677 665 2HD1 ILE 93 2HD1 ILE 93 4.957 6.994 -5.256 666 3HD1 ILE 93 3HD1 ILE 93 4.904 5.314 -4.669 667 H VAL 94 H VAL 94 0.787 3.355 -8.960 668 HA VAL 94 HA VAL 94 -1.717 3.763 -7.590 669 HB VAL 94 HB VAL 94 -0.937 1.846 -9.795 670 1HG1 VAL 94 1HG1 VAL 94 -3.395 1.858 -10.273 671 2HG1 VAL 94 2HG1 VAL 94 -2.964 1.115 -8.714 672 3HG1 VAL 94 3HG1 VAL 94 -3.639 2.762 -8.758 673 1HG2 VAL 94 1HG2 VAL 94 -1.067 4.658 -9.878 674 2HG2 VAL 94 2HG2 VAL 94 -0.997 3.533 -11.255 675 3HG2 VAL 94 3HG2 VAL 94 -2.572 4.082 -10.633 676 H VAL 95 H VAL 95 -2.010 2.849 -5.621 677 HA VAL 95 HA VAL 95 -0.905 0.149 -5.260 678 HB VAL 95 HB VAL 95 -1.571 1.848 -2.920 679 1HG1 VAL 95 1HG1 VAL 95 0.347 -0.328 -3.651 680 2HG1 VAL 95 2HG1 VAL 95 0.811 0.802 -2.355 681 3HG1 VAL 95 3HG1 VAL 95 -0.689 -0.147 -2.214 682 1HG2 VAL 95 1HG2 VAL 95 0.815 2.830 -3.106 683 2HG2 VAL 95 2HG2 VAL 95 0.673 2.463 -4.842 684 3HG2 VAL 95 3HG2 VAL 95 -0.483 3.574 -4.070 685 H GLN 96 H GLN 96 -2.234 -1.382 -4.092 686 HA GLN 96 HA GLN 96 -5.001 -0.535 -3.829 687 1HB GLN 96 1HB GLN 96 -5.082 -1.637 -5.930 688 2HB GLN 96 2HB GLN 96 -3.935 -2.869 -5.440 689 1HG GLN 96 1HG GLN 96 -5.543 -4.154 -4.409 690 2HG GLN 96 2HG GLN 96 -6.394 -2.764 -3.766 691 1HE2 GLN 96 1HE2 GLN 96 -7.308 -1.300 -5.613 692 2HE2 GLN 96 2HE2 GLN 96 -8.256 -2.117 -6.811 693 H VAL 97 H VAL 97 -6.139 -1.522 -2.102 694 HA VAL 97 HA VAL 97 -4.607 -3.490 -0.561 695 HB VAL 97 HB VAL 97 -5.461 -2.298 1.489 696 1HG1 VAL 97 1HG1 VAL 97 -3.337 -1.284 -0.359 697 2HG1 VAL 97 2HG1 VAL 97 -3.723 -0.325 1.089 698 3HG1 VAL 97 3HG1 VAL 97 -3.196 -2.017 1.257 699 1HG2 VAL 97 1HG2 VAL 97 -5.664 0.222 -0.101 700 2HG2 VAL 97 2HG2 VAL 97 -7.058 -0.885 -0.123 701 3HG2 VAL 97 3HG2 VAL 97 -6.457 -0.241 1.424 702 H LEU 98 H LEU 98 -6.083 -4.633 1.076 703 HA LEU 98 HA LEU 98 -8.756 -4.891 -0.118 704 1HB LEU 98 1HB LEU 98 -6.671 -6.849 0.380 705 2HB LEU 98 2HB LEU 98 -8.159 -7.275 1.201 706 HG LEU 98 HG LEU 98 -9.394 -7.294 -0.861 707 1HD1 LEU 98 1HD1 LEU 98 -7.354 -5.529 -1.773 708 2HD1 LEU 98 2HD1 LEU 98 -7.386 -6.942 -2.855 709 3HD1 LEU 98 3HD1 LEU 98 -8.870 -5.998 -2.579 710 1HD2 LEU 98 1HD2 LEU 98 -7.450 -8.820 -2.161 711 2HD2 LEU 98 2HD2 LEU 98 -7.046 -8.943 -0.432 712 3HD2 LEU 98 3HD2 LEU 98 -8.673 -9.391 -1.000 713 H ARG 99 H ARG 99 -10.124 -3.799 1.207 714 HA ARG 99 HA ARG 99 -9.975 -4.545 4.001 715 1HB ARG 99 1HB ARG 99 -10.261 -2.251 4.754 716 2HB ARG 99 2HB ARG 99 -8.905 -2.261 3.644 717 1HG ARG 99 1HG ARG 99 -10.302 -1.411 1.820 718 2HG ARG 99 2HG ARG 99 -11.755 -1.591 2.782 719 1HD ARG 99 1HD ARG 99 -10.344 0.755 2.580 720 2HD ARG 99 2HD ARG 99 -11.395 0.366 3.927 721 HE ARG 99 HE ARG 99 -8.433 0.263 3.919 722 1HH1 ARG 99 1HH1 ARG 99 -11.425 -0.424 5.639 723 2HH1 ARG 99 2HH1 ARG 99 -10.657 -0.550 7.186 724 1HH2 ARG 99 1HH2 ARG 99 -7.419 0.097 5.960 725 2HH2 ARG 99 2HH2 ARG 99 -8.362 -0.252 7.370 726 H ARG 100 H ARG 100 -12.044 -4.727 5.016 727 HA ARG 100 HA ARG 100 -14.147 -5.295 3.370 728 1HB ARG 100 1HB ARG 100 -15.513 -5.330 5.459 729 2HB ARG 100 2HB ARG 100 -13.965 -6.115 5.700 730 1HG ARG 100 1HG ARG 100 -13.945 -3.191 6.262 731 2HG ARG 100 2HG ARG 100 -14.996 -4.115 7.318 732 1HD ARG 100 1HD ARG 100 -13.135 -4.631 8.524 733 2HD ARG 100 2HD ARG 100 -12.684 -5.697 7.208 734 HE ARG 100 HE ARG 100 -11.811 -3.179 6.378 735 1HH1 ARG 100 1HH1 ARG 100 -11.234 -5.223 9.183 736 2HH1 ARG 100 2HH1 ARG 100 -9.636 -4.615 9.458 737 1HH2 ARG 100 1HH2 ARG 100 -9.703 -2.375 6.740 738 2HH2 ARG 100 2HH2 ARG 100 -8.759 -2.983 8.059 739 H THR 101 H THR 101 -16.397 -4.182 3.443 740 HA THR 101 HA THR 101 -16.052 -1.448 2.676 741 HB THR 101 HB THR 101 -17.609 -3.106 1.571 742 HG1 THR 101 HG1 THR 101 -18.171 -0.911 1.316 743 1HG2 THR 101 1HG2 THR 101 -18.496 -4.255 3.604 744 2HG2 THR 101 2HG2 THR 101 -19.191 -2.715 4.167 745 3HG2 THR 101 3HG2 THR 101 -19.817 -3.487 2.690 746 H SER 102 H SER 102 -17.460 -3.177 5.498 747 HA SER 102 HA SER 102 -18.437 -0.803 6.639 748 1HB SER 102 1HB SER 102 -19.197 -3.207 7.111 749 2HB SER 102 2HB SER 102 -17.753 -3.395 8.085 750 HG SER 102 HG SER 102 -18.478 -1.787 9.520 751 H GLY 103 H GLY 103 -17.512 0.556 8.234 752 1HA GLY 103 1HA GLY 103 -14.968 -0.130 9.428 753 2HA GLY 103 2HA GLY 103 -14.884 1.147 8.231 754 HA PRO 104 HA PRO 104 -17.111 2.527 12.202 755 1HB PRO 104 1HB PRO 104 -15.637 1.939 14.426 756 2HB PRO 104 2HB PRO 104 -17.024 0.996 13.919 757 1HG PRO 104 1HG PRO 104 -14.152 0.336 13.691 758 2HG PRO 104 2HG PRO 104 -15.535 -0.735 13.592 759 1HD PRO 104 1HD PRO 104 -13.959 0.239 11.402 760 2HD PRO 104 2HD PRO 104 -15.411 -0.737 11.296 761 H SER 105 H SER 105 -16.466 4.249 13.927 762 HA SER 105 HA SER 105 -13.988 5.452 13.023 763 1HB SER 105 1HB SER 105 -14.944 7.535 12.485 764 2HB SER 105 2HB SER 105 -16.090 6.395 11.808 765 HG SER 105 HG SER 105 -17.125 6.643 14.114 766 H SER 106 H SER 106 -13.501 7.475 14.541 767 HA SER 106 HA SER 106 -13.011 8.162 16.540 768 1HB SER 106 1HB SER 106 -15.855 7.890 16.510 769 2HB SER 106 2HB SER 106 -15.327 7.338 18.087 770 HG SER 106 HG SER 106 -14.537 9.328 18.591 771 H GLY 107 H GLY 107 -11.301 6.828 17.191 772 1HA GLY 107 1HA GLY 107 -11.827 4.956 19.288 773 2HA GLY 107 2HA GLY 107 -11.373 4.155 17.798 Start of MODEL 11 1 1H GLY 1 1H GLY 1 -30.031 -13.735 -2.188 2 1HA GLY 1 1HA GLY 1 -30.742 -15.561 -1.035 3 2HA GLY 1 2HA GLY 1 -29.870 -16.610 -2.135 4 H SER 2 H SER 2 -27.395 -16.620 -1.929 5 HA SER 2 HA SER 2 -26.735 -16.282 0.892 6 1HB SER 2 1HB SER 2 -26.625 -18.600 0.569 7 2HB SER 2 2HB SER 2 -26.090 -18.455 -1.093 8 HG SER 2 HG SER 2 -24.590 -18.536 1.267 9 H SER 3 H SER 3 -25.421 -16.327 -2.492 10 HA SER 3 HA SER 3 -22.937 -15.467 -2.096 11 1HB SER 3 1HB SER 3 -24.879 -15.356 -4.251 12 2HB SER 3 2HB SER 3 -23.920 -13.889 -4.268 13 HG SER 3 HG SER 3 -22.067 -15.031 -4.647 14 H GLY 4 H GLY 4 -21.975 -13.728 -1.105 15 1HA GLY 4 1HA GLY 4 -23.497 -11.201 -0.986 16 2HA GLY 4 2HA GLY 4 -22.789 -11.896 0.458 17 H SER 5 H SER 5 -22.110 -9.300 -0.635 18 HA SER 5 HA SER 5 -19.646 -9.635 -2.027 19 1HB SER 5 1HB SER 5 -21.182 -7.699 -2.426 20 2HB SER 5 2HB SER 5 -20.901 -7.145 -0.788 21 HG SER 5 HG SER 5 -18.727 -7.557 -2.642 22 H SER 6 H SER 6 -17.674 -9.973 -1.065 23 HA SER 6 HA SER 6 -17.287 -8.876 1.581 24 1HB SER 6 1HB SER 6 -18.047 -11.400 1.589 25 2HB SER 6 2HB SER 6 -16.416 -11.726 1.036 26 HG SER 6 HG SER 6 -15.567 -11.073 2.956 27 H GLY 7 H GLY 7 -15.058 -8.383 2.033 28 1HA GLY 7 1HA GLY 7 -12.946 -7.817 1.517 29 2HA GLY 7 2HA GLY 7 -12.868 -9.288 0.568 30 H LYS 8 H LYS 8 -12.918 -5.846 0.477 31 HA LYS 8 HA LYS 8 -13.331 -5.937 -2.431 32 1HB LYS 8 1HB LYS 8 -14.784 -4.481 -0.526 33 2HB LYS 8 2HB LYS 8 -13.697 -3.308 -1.241 34 1HG LYS 8 1HG LYS 8 -15.512 -3.235 -2.729 35 2HG LYS 8 2HG LYS 8 -14.437 -4.357 -3.540 36 1HD LYS 8 1HD LYS 8 -15.786 -6.148 -2.022 37 2HD LYS 8 2HD LYS 8 -17.019 -4.905 -2.093 38 1HE LYS 8 1HE LYS 8 -16.050 -5.103 -4.751 39 2HE LYS 8 2HE LYS 8 -16.140 -6.760 -4.189 40 1HZ LYS 8 1HZ LYS 8 -18.278 -6.554 -4.676 41 2HZ LYS 8 2HZ LYS 8 -18.429 -5.707 -3.288 42 3HZ LYS 8 3HZ LYS 8 -18.250 -4.921 -4.709 43 H SER 9 H SER 9 -11.958 -4.503 -3.707 44 HA SER 9 HA SER 9 -9.472 -3.967 -2.278 45 1HB SER 9 1HB SER 9 -8.253 -4.683 -4.122 46 2HB SER 9 2HB SER 9 -9.653 -5.729 -4.252 47 HG SER 9 HG SER 9 -10.464 -4.529 -5.942 48 H LEU 10 H LEU 10 -9.121 -1.803 -1.961 49 HA LEU 10 HA LEU 10 -10.389 0.042 -3.848 50 1HB LEU 10 1HB LEU 10 -9.316 0.567 -1.074 51 2HB LEU 10 2HB LEU 10 -10.175 1.704 -2.094 52 HG LEU 10 HG LEU 10 -12.201 0.306 -1.970 53 1HD1 LEU 10 1HD1 LEU 10 -12.084 -1.461 -0.017 54 2HD1 LEU 10 2HD1 LEU 10 -11.625 -1.892 -1.682 55 3HD1 LEU 10 3HD1 LEU 10 -10.366 -1.526 -0.479 56 1HD2 LEU 10 1HD2 LEU 10 -12.892 1.175 0.019 57 2HD2 LEU 10 2HD2 LEU 10 -11.424 0.667 0.887 58 3HD2 LEU 10 3HD2 LEU 10 -11.379 2.090 -0.181 59 H THR 11 H THR 11 -9.177 1.733 -4.826 60 HA THR 11 HA THR 11 -6.313 1.116 -4.950 61 HB THR 11 HB THR 11 -7.726 3.009 -6.832 62 HG1 THR 11 HG1 THR 11 -9.224 1.323 -6.887 63 1HG2 THR 11 1HG2 THR 11 -6.416 1.563 -8.492 64 2HG2 THR 11 2HG2 THR 11 -5.397 2.475 -7.354 65 3HG2 THR 11 3HG2 THR 11 -5.689 0.739 -7.092 66 H LEU 12 H LEU 12 -4.712 2.607 -4.523 67 HA LEU 12 HA LEU 12 -5.583 5.262 -3.707 68 1HB LEU 12 1HB LEU 12 -3.647 4.371 -1.819 69 2HB LEU 12 2HB LEU 12 -5.267 4.982 -1.550 70 HG LEU 12 HG LEU 12 -5.853 2.434 -2.274 71 1HD1 LEU 12 1HD1 LEU 12 -3.989 1.291 -0.609 72 2HD1 LEU 12 2HD1 LEU 12 -3.984 1.214 -2.388 73 3HD1 LEU 12 3HD1 LEU 12 -3.012 2.445 -1.548 74 1HD2 LEU 12 1HD2 LEU 12 -5.287 2.367 0.523 75 2HD2 LEU 12 2HD2 LEU 12 -5.845 4.003 0.098 76 3HD2 LEU 12 3HD2 LEU 12 -6.849 2.589 -0.301 77 H VAL 13 H VAL 13 -4.111 6.856 -4.239 78 HA VAL 13 HA VAL 13 -1.757 5.886 -5.676 79 HB VAL 13 HB VAL 13 -3.352 8.443 -5.725 80 1HG1 VAL 13 1HG1 VAL 13 -1.477 8.669 -7.752 81 2HG1 VAL 13 2HG1 VAL 13 -1.457 9.545 -6.202 82 3HG1 VAL 13 3HG1 VAL 13 -0.526 8.038 -6.386 83 1HG2 VAL 13 1HG2 VAL 13 -3.140 7.647 -8.294 84 2HG2 VAL 13 2HG2 VAL 13 -3.030 6.066 -7.483 85 3HG2 VAL 13 3HG2 VAL 13 -4.444 7.110 -7.208 86 H LEU 14 H LEU 14 0.150 5.883 -4.615 87 HA LEU 14 HA LEU 14 0.423 7.781 -2.394 88 1HB LEU 14 1HB LEU 14 1.899 5.190 -2.879 89 2HB LEU 14 2HB LEU 14 2.070 6.243 -1.488 90 HG LEU 14 HG LEU 14 -0.301 4.531 -2.246 91 1HD1 LEU 14 1HD1 LEU 14 0.990 3.134 -1.018 92 2HD1 LEU 14 2HD1 LEU 14 1.827 4.458 -0.174 93 3HD1 LEU 14 3HD1 LEU 14 0.190 3.976 0.331 94 1HD2 LEU 14 1HD2 LEU 14 -1.559 6.254 -1.497 95 2HD2 LEU 14 2HD2 LEU 14 -1.104 5.589 0.090 96 3HD2 LEU 14 3HD2 LEU 14 -0.222 6.984 -0.577 97 H HIS 15 H HIS 15 2.527 8.840 -2.118 98 HA HIS 15 HA HIS 15 3.951 9.034 -4.672 99 1HB HIS 15 1HB HIS 15 3.036 11.196 -2.784 100 2HB HIS 15 2HB HIS 15 4.413 11.452 -3.837 101 HD1 HIS 15 HD1 HIS 15 3.920 11.273 -6.492 102 HD2 HIS 15 HD2 HIS 15 0.558 11.476 -3.991 103 HE1 HIS 15 HE1 HIS 15 1.950 11.893 -7.991 104 H ARG 16 H ARG 16 6.151 10.485 -3.975 105 HA ARG 16 HA ARG 16 7.218 9.046 -1.685 106 1HB ARG 16 1HB ARG 16 8.600 9.510 -4.377 107 2HB ARG 16 2HB ARG 16 9.403 8.857 -2.963 108 1HG ARG 16 1HG ARG 16 7.358 7.122 -3.006 109 2HG ARG 16 2HG ARG 16 7.278 7.588 -4.694 110 1HD ARG 16 1HD ARG 16 10.021 6.964 -3.669 111 2HD ARG 16 2HD ARG 16 8.918 5.604 -3.735 112 HE ARG 16 HE ARG 16 8.925 5.716 -6.087 113 1HH1 ARG 16 1HH1 ARG 16 10.411 8.612 -4.748 114 2HH1 ARG 16 2HH1 ARG 16 11.003 9.169 -6.277 115 1HH2 ARG 16 1HH2 ARG 16 9.707 6.451 -8.104 116 2HH2 ARG 16 2HH2 ARG 16 10.600 7.932 -8.199 117 H ASP 17 H ASP 17 7.033 10.944 -0.356 118 HA ASP 17 HA ASP 17 8.004 13.421 -1.299 119 1HB ASP 17 1HB ASP 17 6.264 13.445 0.368 120 2HB ASP 17 2HB ASP 17 7.146 12.351 1.416 121 H SER 18 H SER 18 10.227 12.507 -1.934 122 HA SER 18 HA SER 18 12.379 12.482 -1.610 123 1HB SER 18 1HB SER 18 11.537 14.173 0.445 124 2HB SER 18 2HB SER 18 12.501 12.986 1.301 125 HG SER 18 HG SER 18 13.312 14.687 -0.888 126 H GLY 19 H GLY 19 12.091 10.125 -1.963 127 1HA GLY 19 1HA GLY 19 12.144 7.936 -1.364 128 2HA GLY 19 2HA GLY 19 13.541 8.467 -0.448 129 H SER 20 H SER 20 9.916 8.678 -0.136 130 HA SER 20 HA SER 20 9.936 7.134 2.198 131 1HB SER 20 1HB SER 20 10.506 9.921 2.580 132 2HB SER 20 2HB SER 20 8.877 9.647 3.165 133 HG SER 20 HG SER 20 11.247 8.174 3.950 134 H LEU 21 H LEU 21 8.108 6.008 1.595 135 HA LEU 21 HA LEU 21 6.045 7.150 0.075 136 1HB LEU 21 1HB LEU 21 6.384 4.599 1.621 137 2HB LEU 21 2HB LEU 21 4.841 5.007 0.898 138 HG LEU 21 HG LEU 21 6.288 3.488 -0.466 139 1HD1 LEU 21 1HD1 LEU 21 4.525 4.565 -1.605 140 2HD1 LEU 21 2HD1 LEU 21 5.373 6.130 -1.609 141 3HD1 LEU 21 3HD1 LEU 21 5.968 4.792 -2.621 142 1HD2 LEU 21 1HD2 LEU 21 8.020 5.961 -0.725 143 2HD2 LEU 21 2HD2 LEU 21 8.469 4.398 0.000 144 3HD2 LEU 21 3HD2 LEU 21 8.153 4.510 -1.748 145 H GLY 22 H GLY 22 6.687 6.912 3.562 146 1HA GLY 22 1HA GLY 22 5.739 8.450 5.059 147 2HA GLY 22 2HA GLY 22 4.332 8.606 4.026 148 H PHE 23 H PHE 23 5.866 5.476 4.887 149 HA PHE 23 HA PHE 23 4.242 4.891 7.076 150 1HB PHE 23 1HB PHE 23 2.480 3.617 6.041 151 2HB PHE 23 2HB PHE 23 2.608 5.024 5.005 152 HD1 PHE 23 HD1 PHE 23 1.795 1.888 4.654 153 HD2 PHE 23 HD2 PHE 23 4.981 4.388 3.386 154 HE1 PHE 23 HE1 PHE 23 2.178 0.396 2.673 155 HE2 PHE 23 HE2 PHE 23 5.364 2.896 1.405 156 HZ PHE 23 HZ PHE 23 3.958 0.917 1.072 157 H ASN 24 H ASN 24 4.049 2.240 7.183 158 HA ASN 24 HA ASN 24 6.539 1.211 6.095 159 1HB ASN 24 1HB ASN 24 6.136 1.846 8.822 160 2HB ASN 24 2HB ASN 24 5.875 0.115 8.758 161 1HD2 ASN 24 1HD2 ASN 24 7.841 0.326 10.158 162 2HD2 ASN 24 2HD2 ASN 24 9.395 0.234 9.399 163 H ILE 25 H ILE 25 6.538 -1.306 6.244 164 HA ILE 25 HA ILE 25 3.797 -2.346 6.301 165 HB ILE 25 HB ILE 25 4.651 -3.853 4.376 166 1HG1 ILE 25 1HG1 ILE 25 6.348 -1.443 3.736 167 2HG1 ILE 25 2HG1 ILE 25 7.008 -2.806 4.618 168 1HG2 ILE 25 1HG2 ILE 25 3.875 -2.132 2.710 169 2HG2 ILE 25 2HG2 ILE 25 2.775 -2.424 4.079 170 3HG2 ILE 25 3HG2 ILE 25 3.800 -0.968 4.055 171 1HD1 ILE 25 1HD1 ILE 25 5.867 -4.210 2.636 172 2HD1 ILE 25 2HD1 ILE 25 6.049 -2.666 1.769 173 3HD1 ILE 25 3HD1 ILE 25 7.480 -3.481 2.445 174 H ILE 26 H ILE 26 3.781 -4.792 6.549 175 HA ILE 26 HA ILE 26 6.181 -5.709 7.954 176 HB ILE 26 HB ILE 26 5.054 -6.374 9.835 177 1HG1 ILE 26 1HG1 ILE 26 2.389 -6.059 8.424 178 2HG1 ILE 26 2HG1 ILE 26 3.248 -7.576 8.597 179 1HG2 ILE 26 1HG2 ILE 26 4.002 -4.462 10.730 180 2HG2 ILE 26 2HG2 ILE 26 5.155 -3.857 9.517 181 3HG2 ILE 26 3HG2 ILE 26 3.419 -3.933 9.134 182 1HD1 ILE 26 1HD1 ILE 26 3.045 -7.547 10.994 183 2HD1 ILE 26 2HD1 ILE 26 2.540 -5.841 10.998 184 3HD1 ILE 26 3HD1 ILE 26 1.445 -7.092 10.362 185 H GLY 27 H GLY 27 6.088 -8.180 8.260 186 1HA GLY 27 1HA GLY 27 5.227 -10.249 7.505 187 2HA GLY 27 2HA GLY 27 4.559 -9.459 6.091 188 H GLY 28 H GLY 28 5.868 -11.543 5.284 189 1HA GLY 28 1HA GLY 28 7.517 -12.222 3.910 190 2HA GLY 28 2HA GLY 28 8.086 -10.566 3.824 191 H ARG 29 H ARG 29 9.024 -13.635 4.665 192 HA ARG 29 HA ARG 29 11.411 -12.945 5.662 193 1HB ARG 29 1HB ARG 29 9.409 -12.575 7.704 194 2HB ARG 29 2HB ARG 29 10.366 -13.967 8.168 195 1HG ARG 29 1HG ARG 29 12.038 -11.758 7.148 196 2HG ARG 29 2HG ARG 29 11.077 -11.275 8.532 197 1HD ARG 29 1HD ARG 29 12.027 -12.973 9.936 198 2HD ARG 29 2HD ARG 29 12.650 -13.879 8.572 199 HE ARG 29 HE ARG 29 14.538 -12.499 8.553 200 1HH1 ARG 29 1HH1 ARG 29 11.974 -10.904 10.359 201 2HH1 ARG 29 2HH1 ARG 29 12.984 -9.600 10.889 202 1HH2 ARG 29 1HH2 ARG 29 15.871 -10.780 9.251 203 2HH2 ARG 29 2HH2 ARG 29 15.216 -9.529 10.254 204 HA PRO 30 HA PRO 30 11.479 -17.279 5.054 205 1HB PRO 30 1HB PRO 30 14.151 -17.728 5.416 206 2HB PRO 30 2HB PRO 30 13.471 -17.159 3.905 207 1HG PRO 30 1HG PRO 30 14.990 -15.646 5.940 208 2HG PRO 30 2HG PRO 30 14.677 -15.227 4.267 209 1HD PRO 30 1HD PRO 30 13.379 -14.137 6.581 210 2HD PRO 30 2HD PRO 30 12.987 -13.805 4.906 211 H SER 31 H SER 31 10.251 -18.297 6.554 212 HA SER 31 HA SER 31 11.695 -19.570 8.570 213 1HB SER 31 1HB SER 31 10.639 -16.952 9.258 214 2HB SER 31 2HB SER 31 9.803 -18.174 10.195 215 HG SER 31 HG SER 31 12.201 -19.009 10.484 216 H VAL 32 H VAL 32 8.381 -18.140 8.047 217 HA VAL 32 HA VAL 32 7.036 -20.435 8.944 218 HB VAL 32 HB VAL 32 6.122 -18.197 7.125 219 1HG1 VAL 32 1HG1 VAL 32 3.934 -18.858 7.446 220 2HG1 VAL 32 2HG1 VAL 32 4.754 -20.436 7.385 221 3HG1 VAL 32 3HG1 VAL 32 4.300 -19.729 8.954 222 1HG2 VAL 32 1HG2 VAL 32 5.066 -17.666 9.590 223 2HG2 VAL 32 2HG2 VAL 32 6.651 -18.348 10.028 224 3HG2 VAL 32 3HG2 VAL 32 6.557 -16.938 8.946 225 H ASP 33 H ASP 33 8.281 -22.144 7.832 226 HA ASP 33 HA ASP 33 6.890 -23.082 5.639 227 1HB ASP 33 1HB ASP 33 8.121 -21.374 4.355 228 2HB ASP 33 2HB ASP 33 9.644 -21.911 5.035 229 H ASN 34 H ASN 34 7.551 -25.315 5.221 230 HA ASN 34 HA ASN 34 10.012 -26.304 6.060 231 1HB ASN 34 1HB ASN 34 8.578 -25.880 8.287 232 2HB ASN 34 2HB ASN 34 7.778 -27.367 7.818 233 1HD2 ASN 34 1HD2 ASN 34 8.806 -29.298 7.948 234 2HD2 ASN 34 2HD2 ASN 34 10.365 -29.538 8.664 235 H HIS 35 H HIS 35 9.693 -27.197 3.872 236 HA HIS 35 HA HIS 35 8.566 -29.749 3.854 237 1HB HIS 35 1HB HIS 35 6.521 -28.095 3.725 238 2HB HIS 35 2HB HIS 35 6.999 -27.934 2.047 239 HD1 HIS 35 HD1 HIS 35 5.946 -29.582 0.498 240 HD2 HIS 35 HD2 HIS 35 6.165 -31.033 4.428 241 HE1 HIS 35 HE1 HIS 35 4.780 -31.852 0.488 242 H ASP 36 H ASP 36 8.829 -27.009 1.471 243 HA ASP 36 HA ASP 36 11.272 -27.821 0.495 244 1HB ASP 36 1HB ASP 36 9.976 -29.805 -0.326 245 2HB ASP 36 2HB ASP 36 8.893 -28.733 -1.192 246 H GLY 37 H GLY 37 11.537 -25.504 0.462 247 1HA GLY 37 1HA GLY 37 11.533 -23.468 -0.499 248 2HA GLY 37 2HA GLY 37 10.735 -24.165 -1.896 249 H SER 38 H SER 38 9.475 -22.131 -1.996 250 HA SER 38 HA SER 38 7.694 -20.934 -1.674 251 1HB SER 38 1HB SER 38 6.615 -23.438 -0.306 252 2HB SER 38 2HB SER 38 5.629 -22.067 -0.775 253 HG SER 38 HG SER 38 5.711 -22.656 -2.855 254 H SER 39 H SER 39 5.903 -20.334 0.281 255 HA SER 39 HA SER 39 6.603 -20.600 2.877 256 1HB SER 39 1HB SER 39 8.673 -19.538 2.801 257 2HB SER 39 2HB SER 39 8.212 -18.484 1.479 258 HG SER 39 HG SER 39 8.421 -17.632 3.849 259 H SER 40 H SER 40 5.023 -19.565 4.171 260 HA SER 40 HA SER 40 3.031 -18.168 2.637 261 1HB SER 40 1HB SER 40 2.864 -20.060 4.624 262 2HB SER 40 2HB SER 40 2.619 -18.598 5.558 263 HG SER 40 HG SER 40 1.093 -19.483 3.263 264 H GLU 41 H GLU 41 3.286 -15.970 2.430 265 HA GLU 41 HA GLU 41 3.740 -14.491 4.858 266 1HB GLU 41 1HB GLU 41 5.520 -14.193 2.398 267 2HB GLU 41 2HB GLU 41 5.501 -13.067 3.741 268 1HG GLU 41 1HG GLU 41 6.099 -16.049 4.029 269 2HG GLU 41 2HG GLU 41 7.335 -14.816 3.875 270 H GLY 42 H GLY 42 3.642 -11.957 4.195 271 1HA GLY 42 1HA GLY 42 2.083 -11.357 1.869 272 2HA GLY 42 2HA GLY 42 1.104 -11.406 3.322 273 H ILE 43 H ILE 43 1.338 -8.999 1.958 274 HA ILE 43 HA ILE 43 3.251 -7.493 3.600 275 HB ILE 43 HB ILE 43 2.023 -6.754 0.941 276 1HG1 ILE 43 1HG1 ILE 43 3.500 -8.508 0.451 277 2HG1 ILE 43 2HG1 ILE 43 4.423 -7.050 0.145 278 1HG2 ILE 43 1HG2 ILE 43 4.082 -5.093 1.153 279 2HG2 ILE 43 2HG2 ILE 43 2.479 -4.702 1.820 280 3HG2 ILE 43 3HG2 ILE 43 3.763 -5.314 2.890 281 1HD1 ILE 43 1HD1 ILE 43 5.977 -8.191 1.427 282 2HD1 ILE 43 2HD1 ILE 43 5.095 -7.373 2.739 283 3HD1 ILE 43 3HD1 ILE 43 4.730 -9.070 2.344 284 H PHE 44 H PHE 44 2.474 -6.061 5.077 285 HA PHE 44 HA PHE 44 -0.265 -5.139 4.756 286 1HB PHE 44 1HB PHE 44 0.978 -6.608 7.154 287 2HB PHE 44 2HB PHE 44 -0.521 -5.711 7.284 288 HD1 PHE 44 HD1 PHE 44 -2.575 -6.592 6.403 289 HD2 PHE 44 HD2 PHE 44 1.074 -8.676 5.813 290 HE1 PHE 44 HE1 PHE 44 -3.853 -8.622 5.665 291 HE2 PHE 44 HE2 PHE 44 -0.204 -10.706 5.075 292 HZ PHE 44 HZ PHE 44 -2.653 -10.655 5.010 293 H VAL 45 H VAL 45 -0.735 -3.186 5.973 294 HA VAL 45 HA VAL 45 1.712 -1.717 6.571 295 HB VAL 45 HB VAL 45 -1.146 -0.834 6.124 296 1HG1 VAL 45 1HG1 VAL 45 1.371 0.708 6.766 297 2HG1 VAL 45 2HG1 VAL 45 0.018 1.456 5.884 298 3HG1 VAL 45 3HG1 VAL 45 -0.235 0.815 7.526 299 1HG2 VAL 45 1HG2 VAL 45 0.467 -1.770 4.211 300 2HG2 VAL 45 2HG2 VAL 45 -0.634 -0.399 3.938 301 3HG2 VAL 45 3HG2 VAL 45 1.087 -0.103 4.280 302 H SER 46 H SER 46 2.341 -1.318 8.631 303 HA SER 46 HA SER 46 0.296 -1.728 10.672 304 1HB SER 46 1HB SER 46 2.169 -3.439 10.604 305 2HB SER 46 2HB SER 46 3.301 -2.152 10.966 306 HG SER 46 HG SER 46 1.937 -1.733 12.931 307 H LYS 47 H LYS 47 2.202 0.539 9.050 308 HA LYS 47 HA LYS 47 1.759 2.472 11.154 309 1HB LYS 47 1HB LYS 47 3.983 1.587 11.701 310 2HB LYS 47 2HB LYS 47 4.540 1.922 10.074 311 1HG LYS 47 1HG LYS 47 3.400 4.362 10.944 312 2HG LYS 47 2HG LYS 47 4.252 3.754 12.350 313 1HD LYS 47 1HD LYS 47 5.905 5.000 11.187 314 2HD LYS 47 2HD LYS 47 6.263 3.338 10.761 315 1HE LYS 47 1HE LYS 47 4.981 3.607 8.627 316 2HE LYS 47 2HE LYS 47 4.615 5.266 9.054 317 1HZ LYS 47 1HZ LYS 47 6.697 5.908 8.595 318 2HZ LYS 47 2HZ LYS 47 7.399 4.534 9.129 319 3HZ LYS 47 3HZ LYS 47 6.716 4.580 7.646 320 H ILE 48 H ILE 48 1.554 4.607 10.347 321 HA ILE 48 HA ILE 48 2.047 5.006 7.523 322 HB ILE 48 HB ILE 48 -0.701 4.985 8.748 323 1HG1 ILE 48 1HG1 ILE 48 0.524 3.683 6.301 324 2HG1 ILE 48 2HG1 ILE 48 0.012 2.887 7.776 325 1HG2 ILE 48 1HG2 ILE 48 -1.578 6.175 6.869 326 2HG2 ILE 48 2HG2 ILE 48 -0.282 7.162 7.586 327 3HG2 ILE 48 3HG2 ILE 48 0.022 6.245 6.092 328 1HD1 ILE 48 1HD1 ILE 48 -1.985 2.574 6.734 329 2HD1 ILE 48 2HD1 ILE 48 -2.275 4.305 7.025 330 3HD1 ILE 48 3HD1 ILE 48 -1.597 3.766 5.470 331 H VAL 49 H VAL 49 3.031 6.941 7.325 332 HA VAL 49 HA VAL 49 3.195 8.673 9.558 333 HB VAL 49 HB VAL 49 3.978 9.125 6.672 334 1HG1 VAL 49 1HG1 VAL 49 5.801 10.413 8.330 335 2HG1 VAL 49 2HG1 VAL 49 4.487 11.180 7.405 336 3HG1 VAL 49 3HG1 VAL 49 4.230 10.725 9.106 337 1HG2 VAL 49 1HG2 VAL 49 5.979 8.294 8.723 338 2HG2 VAL 49 2HG2 VAL 49 4.871 7.044 8.106 339 3HG2 VAL 49 3HG2 VAL 49 5.909 7.948 6.978 340 H ASP 50 H ASP 50 1.723 10.141 10.224 341 HA ASP 50 HA ASP 50 -0.645 10.558 8.996 342 1HB ASP 50 1HB ASP 50 0.761 11.578 11.248 343 2HB ASP 50 2HB ASP 50 0.260 12.995 10.346 344 H SER 51 H SER 51 1.942 13.118 9.259 345 HA SER 51 HA SER 51 0.917 14.714 7.289 346 1HB SER 51 1HB SER 51 2.960 14.921 9.072 347 2HB SER 51 2HB SER 51 3.896 14.645 7.617 348 HG SER 51 HG SER 51 2.584 16.922 8.430 349 H GLY 52 H GLY 52 2.553 11.661 7.051 350 1HA GLY 52 1HA GLY 52 3.958 11.850 4.670 351 2HA GLY 52 2HA GLY 52 3.188 10.407 5.299 352 HA PRO 53 HA PRO 53 0.902 12.154 1.607 353 1HB PRO 53 1HB PRO 53 2.184 11.050 -0.540 354 2HB PRO 53 2HB PRO 53 2.460 12.695 0.000 355 1HG PRO 53 1HG PRO 53 4.187 10.319 0.335 356 2HG PRO 53 2HG PRO 53 4.611 12.014 0.476 357 1HD PRO 53 1HD PRO 53 4.190 10.165 2.629 358 2HD PRO 53 2HD PRO 53 4.500 11.884 2.769 359 H ALA 54 H ALA 54 1.709 9.317 3.016 360 HA ALA 54 HA ALA 54 0.144 7.649 1.262 361 1HB ALA 54 1HB ALA 54 1.157 6.956 4.033 362 2HB ALA 54 2HB ALA 54 0.875 5.876 2.646 363 3HB ALA 54 3HB ALA 54 2.248 7.008 2.627 364 H ALA 55 H ALA 55 -0.142 9.267 4.469 365 HA ALA 55 HA ALA 55 -2.839 8.223 4.753 366 1HB ALA 55 1HB ALA 55 -1.910 8.170 6.841 367 2HB ALA 55 2HB ALA 55 -0.769 9.489 6.484 368 3HB ALA 55 3HB ALA 55 -2.462 9.862 6.884 369 H LYS 56 H LYS 56 -1.042 11.247 4.060 370 HA LYS 56 HA LYS 56 -3.126 13.037 4.336 371 1HB LYS 56 1HB LYS 56 -0.535 12.956 2.870 372 2HB LYS 56 2HB LYS 56 -1.690 14.169 2.357 373 1HG LYS 56 1HG LYS 56 -1.048 13.784 5.304 374 2HG LYS 56 2HG LYS 56 -0.017 14.769 4.285 375 1HD LYS 56 1HD LYS 56 -2.252 15.968 3.571 376 2HD LYS 56 2HD LYS 56 -2.935 15.216 4.999 377 1HE LYS 56 1HE LYS 56 -1.691 16.522 6.463 378 2HE LYS 56 2HE LYS 56 -0.310 16.610 5.389 379 1HZ LYS 56 1HZ LYS 56 -2.627 18.299 5.505 380 2HZ LYS 56 2HZ LYS 56 -1.097 18.657 5.060 381 3HZ LYS 56 3HZ LYS 56 -2.111 17.945 3.997 382 H GLU 57 H GLU 57 -1.910 12.175 1.052 383 HA GLU 57 HA GLU 57 -4.693 12.179 0.222 384 1HB GLU 57 1HB GLU 57 -2.096 12.559 -1.324 385 2HB GLU 57 2HB GLU 57 -3.656 12.408 -2.109 386 1HG GLU 57 1HG GLU 57 -4.500 14.376 -0.814 387 2HG GLU 57 2HG GLU 57 -2.942 14.527 -0.026 388 H GLY 58 H GLY 58 -1.774 10.193 0.494 389 1HA GLY 58 1HA GLY 58 -1.954 8.192 -1.240 390 2HA GLY 58 2HA GLY 58 -1.644 7.918 0.462 391 H GLY 59 H GLY 59 -3.891 8.170 1.846 392 1HA GLY 59 1HA GLY 59 -6.186 7.668 1.913 393 2HA GLY 59 2HA GLY 59 -6.055 6.815 0.388 394 H LEU 60 H LEU 60 -3.296 5.807 1.805 395 HA LEU 60 HA LEU 60 -4.197 3.250 2.335 396 1HB LEU 60 1HB LEU 60 -1.838 4.223 1.872 397 2HB LEU 60 2HB LEU 60 -1.745 4.420 3.610 398 HG LEU 60 HG LEU 60 -1.958 2.056 3.979 399 1HD1 LEU 60 1HD1 LEU 60 -2.657 1.942 1.052 400 2HD1 LEU 60 2HD1 LEU 60 -2.020 0.518 1.910 401 3HD1 LEU 60 3HD1 LEU 60 -3.536 1.280 2.452 402 1HD2 LEU 60 1HD2 LEU 60 0.272 3.003 3.339 403 2HD2 LEU 60 2HD2 LEU 60 0.083 1.260 3.028 404 3HD2 LEU 60 3HD2 LEU 60 -0.020 2.421 1.683 405 H GLN 61 H GLN 61 -3.942 2.095 4.536 406 HA GLN 61 HA GLN 61 -4.482 3.754 6.789 407 1HB GLN 61 1HB GLN 61 -6.675 2.447 5.313 408 2HB GLN 61 2HB GLN 61 -6.639 1.982 7.002 409 1HG GLN 61 1HG GLN 61 -6.894 4.226 7.762 410 2HG GLN 61 2HG GLN 61 -6.366 4.906 6.235 411 1HE2 GLN 61 1HE2 GLN 61 -7.771 3.741 4.339 412 2HE2 GLN 61 2HE2 GLN 61 -9.478 3.977 4.515 413 H ILE 62 H ILE 62 -3.656 2.777 8.617 414 HA ILE 62 HA ILE 62 -2.062 0.606 8.509 415 HB ILE 62 HB ILE 62 -3.718 1.464 10.885 416 1HG1 ILE 62 1HG1 ILE 62 -1.429 2.731 9.478 417 2HG1 ILE 62 2HG1 ILE 62 -2.736 3.457 10.393 418 1HG2 ILE 62 1HG2 ILE 62 -1.973 0.531 12.245 419 2HG2 ILE 62 2HG2 ILE 62 -2.540 -0.719 11.111 420 3HG2 ILE 62 3HG2 ILE 62 -1.002 0.125 10.809 421 1HD1 ILE 62 1HD1 ILE 62 -1.698 2.735 12.520 422 2HD1 ILE 62 2HD1 ILE 62 -0.396 1.924 11.617 423 3HD1 ILE 62 3HD1 ILE 62 -0.548 3.696 11.560 424 H HIS 63 H HIS 63 -2.267 -1.631 9.313 425 HA HIS 63 HA HIS 63 -3.188 -3.620 9.255 426 1HB HIS 63 1HB HIS 63 -5.848 -2.346 9.916 427 2HB HIS 63 2HB HIS 63 -5.310 -3.972 10.286 428 HD1 HIS 63 HD1 HIS 63 -6.169 -1.378 12.224 429 HD2 HIS 63 HD2 HIS 63 -2.436 -3.235 11.761 430 HE1 HIS 63 HE1 HIS 63 -4.845 -0.861 14.343 431 H ASP 64 H ASP 64 -2.799 -2.456 6.780 432 HA ASP 64 HA ASP 64 -5.158 -3.418 5.364 433 1HB ASP 64 1HB ASP 64 -3.479 -0.945 4.950 434 2HB ASP 64 2HB ASP 64 -4.132 -1.732 3.527 435 H ARG 65 H ARG 65 -4.668 -4.938 3.721 436 HA ARG 65 HA ARG 65 -1.860 -5.579 3.484 437 1HB ARG 65 1HB ARG 65 -3.752 -7.299 4.049 438 2HB ARG 65 2HB ARG 65 -4.185 -7.195 2.354 439 1HG ARG 65 1HG ARG 65 -1.597 -7.649 1.948 440 2HG ARG 65 2HG ARG 65 -1.631 -8.255 3.592 441 1HD ARG 65 1HD ARG 65 -3.369 -9.896 3.020 442 2HD ARG 65 2HD ARG 65 -3.553 -9.210 1.417 443 HE ARG 65 HE ARG 65 -0.834 -9.879 1.616 444 1HH1 ARG 65 1HH1 ARG 65 -3.897 -11.596 1.828 445 2HH1 ARG 65 2HH1 ARG 65 -3.244 -13.093 1.250 446 1HH2 ARG 65 1HH2 ARG 65 0.028 -11.853 0.853 447 2HH2 ARG 65 2HH2 ARG 65 -0.996 -13.240 0.692 448 H ILE 66 H ILE 66 -0.808 -4.625 1.765 449 HA ILE 66 HA ILE 66 -2.182 -3.467 -0.387 450 HB ILE 66 HB ILE 66 0.720 -4.254 -0.392 451 1HG1 ILE 66 1HG1 ILE 66 -0.680 -2.248 1.339 452 2HG1 ILE 66 2HG1 ILE 66 0.644 -3.328 1.726 453 1HG2 ILE 66 1HG2 ILE 66 -0.229 -3.265 -2.442 454 2HG2 ILE 66 2HG2 ILE 66 -0.730 -1.837 -1.505 455 3HG2 ILE 66 3HG2 ILE 66 0.999 -2.223 -1.684 456 1HD1 ILE 66 1HD1 ILE 66 1.681 -1.201 1.579 457 2HD1 ILE 66 2HD1 ILE 66 2.032 -1.943 -0.001 458 3HD1 ILE 66 3HD1 ILE 66 0.730 -0.738 0.147 459 H ILE 67 H ILE 67 -2.556 -4.150 -2.508 460 HA ILE 67 HA ILE 67 -2.191 -7.037 -2.885 461 HB ILE 67 HB ILE 67 -4.087 -5.450 -4.538 462 1HG1 ILE 67 1HG1 ILE 67 -4.414 -4.642 -2.189 463 2HG1 ILE 67 2HG1 ILE 67 -5.813 -5.420 -2.902 464 1HG2 ILE 67 1HG2 ILE 67 -3.676 -7.857 -4.930 465 2HG2 ILE 67 2HG2 ILE 67 -4.265 -8.204 -3.287 466 3HG2 ILE 67 3HG2 ILE 67 -5.365 -7.501 -4.497 467 1HD1 ILE 67 1HD1 ILE 67 -5.413 -7.475 -1.678 468 2HD1 ILE 67 2HD1 ILE 67 -3.816 -6.904 -1.139 469 3HD1 ILE 67 3HD1 ILE 67 -5.294 -6.133 -0.514 470 H GLU 68 H GLU 68 -1.925 -3.789 -4.432 471 HA GLU 68 HA GLU 68 0.257 -4.827 -5.973 472 1HB GLU 68 1HB GLU 68 -2.284 -4.798 -7.155 473 2HB GLU 68 2HB GLU 68 -1.556 -3.312 -7.733 474 1HG GLU 68 1HG GLU 68 -0.308 -4.489 -9.211 475 2HG GLU 68 2HG GLU 68 0.474 -5.332 -7.888 476 H VAL 69 H VAL 69 1.580 -3.080 -6.933 477 HA VAL 69 HA VAL 69 0.835 -0.398 -6.067 478 HB VAL 69 HB VAL 69 2.396 -1.848 -4.451 479 1HG1 VAL 69 1HG1 VAL 69 4.087 -2.252 -6.223 480 2HG1 VAL 69 2HG1 VAL 69 4.377 -0.499 -6.317 481 3HG1 VAL 69 3HG1 VAL 69 4.754 -1.384 -4.820 482 1HG2 VAL 69 1HG2 VAL 69 3.384 0.929 -4.739 483 2HG2 VAL 69 2HG2 VAL 69 1.617 0.756 -4.609 484 3HG2 VAL 69 3HG2 VAL 69 2.672 0.099 -3.334 485 H ASN 70 H ASN 70 0.859 0.784 -7.904 486 HA ASN 70 HA ASN 70 1.631 1.725 -9.711 487 1HB ASN 70 1HB ASN 70 3.993 1.141 -8.557 488 2HB ASN 70 2HB ASN 70 4.110 -0.012 -9.872 489 1HD2 ASN 70 1HD2 ASN 70 4.504 3.183 -8.893 490 2HD2 ASN 70 2HD2 ASN 70 4.793 3.937 -10.425 491 H GLY 71 H GLY 71 2.470 -1.803 -9.484 492 1HA GLY 71 1HA GLY 71 0.683 -2.840 -11.218 493 2HA GLY 71 2HA GLY 71 1.945 -2.263 -12.289 494 H ARG 72 H ARG 72 2.833 -3.225 -9.005 495 HA ARG 72 HA ARG 72 3.980 -5.638 -10.163 496 1HB ARG 72 1HB ARG 72 5.193 -3.478 -8.678 497 2HB ARG 72 2HB ARG 72 5.276 -4.913 -7.676 498 1HG ARG 72 1HG ARG 72 6.155 -6.135 -9.808 499 2HG ARG 72 2HG ARG 72 6.382 -4.535 -10.486 500 1HD ARG 72 1HD ARG 72 7.964 -3.915 -8.765 501 2HD ARG 72 2HD ARG 72 7.534 -5.289 -7.767 502 HE ARG 72 HE ARG 72 8.553 -6.027 -10.422 503 1HH1 ARG 72 1HH1 ARG 72 9.398 -5.321 -7.080 504 2HH1 ARG 72 2HH1 ARG 72 10.902 -6.177 -7.146 505 1HH2 ARG 72 1HH2 ARG 72 10.537 -7.157 -10.510 506 2HH2 ARG 72 2HH2 ARG 72 11.554 -7.229 -9.110 507 H ASP 73 H ASP 73 3.564 -7.612 -9.113 508 HA ASP 73 HA ASP 73 1.432 -7.627 -7.301 509 1HB ASP 73 1HB ASP 73 2.242 -9.436 -9.020 510 2HB ASP 73 2HB ASP 73 3.357 -9.937 -7.764 511 H LEU 74 H LEU 74 1.562 -7.372 -5.064 512 HA LEU 74 HA LEU 74 4.051 -8.192 -3.762 513 1HB LEU 74 1HB LEU 74 2.648 -5.684 -2.918 514 2HB LEU 74 2HB LEU 74 4.281 -6.215 -2.571 515 HG LEU 74 HG LEU 74 3.242 -5.187 -5.225 516 1HD1 LEU 74 1HD1 LEU 74 3.523 -3.375 -3.708 517 2HD1 LEU 74 2HD1 LEU 74 5.089 -4.003 -3.141 518 3HD1 LEU 74 3HD1 LEU 74 4.931 -3.371 -4.797 519 1HD2 LEU 74 1HD2 LEU 74 5.469 -6.915 -4.687 520 2HD2 LEU 74 2HD2 LEU 74 4.907 -6.243 -6.236 521 3HD2 LEU 74 3HD2 LEU 74 6.066 -5.332 -5.238 522 H SER 75 H SER 75 1.097 -9.138 -4.215 523 HA SER 75 HA SER 75 -0.151 -8.923 -1.736 524 1HB SER 75 1HB SER 75 -1.597 -9.533 -3.468 525 2HB SER 75 2HB SER 75 -0.459 -10.665 -4.172 526 HG SER 75 HG SER 75 -2.262 -11.024 -1.988 527 H ARG 76 H ARG 76 1.958 -11.459 -3.234 528 HA ARG 76 HA ARG 76 2.128 -12.653 -0.585 529 1HB ARG 76 1HB ARG 76 2.730 -14.769 -1.724 530 2HB ARG 76 2HB ARG 76 1.204 -14.167 -2.342 531 1HG ARG 76 1HG ARG 76 2.360 -13.185 -4.311 532 2HG ARG 76 2HG ARG 76 3.911 -13.703 -3.682 533 1HD ARG 76 1HD ARG 76 3.411 -16.021 -4.015 534 2HD ARG 76 2HD ARG 76 1.689 -15.726 -4.148 535 HE ARG 76 HE ARG 76 2.709 -14.265 -6.255 536 1HH1 ARG 76 1HH1 ARG 76 3.115 -17.605 -5.222 537 2HH1 ARG 76 2HH1 ARG 76 3.381 -18.203 -6.825 538 1HH2 ARG 76 1HH2 ARG 76 3.060 -15.054 -8.371 539 2HH2 ARG 76 2HH2 ARG 76 3.350 -16.742 -8.629 540 H ALA 77 H ALA 77 3.658 -10.313 -1.865 541 HA ALA 77 HA ALA 77 6.306 -11.402 -2.246 542 1HB ALA 77 1HB ALA 77 5.508 -9.551 -3.646 543 2HB ALA 77 2HB ALA 77 5.225 -8.555 -2.198 544 3HB ALA 77 3HB ALA 77 6.883 -9.019 -2.649 545 H THR 78 H THR 78 8.153 -10.211 -0.990 546 HA THR 78 HA THR 78 7.407 -10.326 1.846 547 HB THR 78 HB THR 78 9.143 -11.920 0.978 548 HG1 THR 78 HG1 THR 78 10.446 -11.388 2.776 549 1HG2 THR 78 1HG2 THR 78 11.142 -11.215 -0.021 550 2HG2 THR 78 2HG2 THR 78 10.039 -9.985 -0.683 551 3HG2 THR 78 3HG2 THR 78 11.060 -9.601 0.724 552 H HIS 79 H HIS 79 8.851 -8.862 3.289 553 HA HIS 79 HA HIS 79 8.111 -6.264 2.771 554 1HB HIS 79 1HB HIS 79 8.704 -7.273 4.981 555 2HB HIS 79 2HB HIS 79 10.395 -7.202 4.527 556 HD1 HIS 79 HD1 HIS 79 11.611 -4.977 4.808 557 HD2 HIS 79 HD2 HIS 79 7.461 -4.669 5.341 558 HE1 HIS 79 HE1 HIS 79 11.179 -2.633 5.720 559 H ASP 80 H ASP 80 11.075 -8.071 1.907 560 HA ASP 80 HA ASP 80 12.604 -5.877 1.214 561 1HB ASP 80 1HB ASP 80 12.847 -8.683 1.174 562 2HB ASP 80 2HB ASP 80 13.005 -8.235 -0.513 563 H GLN 81 H GLN 81 10.447 -8.084 -0.714 564 HA GLN 81 HA GLN 81 10.889 -6.808 -3.144 565 1HB GLN 81 1HB GLN 81 8.878 -8.749 -2.047 566 2HB GLN 81 2HB GLN 81 8.462 -7.934 -3.542 567 1HG GLN 81 1HG GLN 81 11.187 -8.732 -3.827 568 2HG GLN 81 2HG GLN 81 10.365 -10.101 -3.104 569 1HE2 GLN 81 1HE2 GLN 81 9.645 -11.496 -4.502 570 2HE2 GLN 81 2HE2 GLN 81 9.010 -11.180 -6.083 571 H ALA 82 H ALA 82 8.222 -6.506 -0.701 572 HA ALA 82 HA ALA 82 6.677 -4.670 -2.044 573 1HB ALA 82 1HB ALA 82 6.097 -5.897 0.056 574 2HB ALA 82 2HB ALA 82 7.205 -4.829 0.951 575 3HB ALA 82 3HB ALA 82 5.762 -4.152 0.157 576 H VAL 83 H VAL 83 9.310 -4.028 0.384 577 HA VAL 83 HA VAL 83 9.249 -1.285 0.216 578 HB VAL 83 HB VAL 83 11.476 -3.247 0.757 579 1HG1 VAL 83 1HG1 VAL 83 12.772 -1.389 1.699 580 2HG1 VAL 83 2HG1 VAL 83 12.466 -1.140 -0.037 581 3HG1 VAL 83 3HG1 VAL 83 11.521 -0.237 1.172 582 1HG2 VAL 83 1HG2 VAL 83 10.520 -1.527 2.930 583 2HG2 VAL 83 2HG2 VAL 83 9.244 -2.561 2.244 584 3HG2 VAL 83 3HG2 VAL 83 10.738 -3.293 2.875 585 H GLU 84 H GLU 84 11.314 -3.606 -1.670 586 HA GLU 84 HA GLU 84 12.615 -1.775 -3.178 587 1HB GLU 84 1HB GLU 84 12.649 -4.452 -3.065 588 2HB GLU 84 2HB GLU 84 11.658 -4.308 -4.503 589 1HG GLU 84 1HG GLU 84 13.693 -4.217 -5.568 590 2HG GLU 84 2HG GLU 84 13.602 -2.517 -5.154 591 H ALA 85 H ALA 85 9.401 -3.316 -3.836 592 HA ALA 85 HA ALA 85 8.927 -2.202 -6.305 593 1HB ALA 85 1HB ALA 85 7.520 -3.935 -5.395 594 2HB ALA 85 2HB ALA 85 7.064 -2.915 -4.009 595 3HB ALA 85 3HB ALA 85 6.500 -2.498 -5.646 596 H PHE 86 H PHE 86 8.027 -0.903 -3.031 597 HA PHE 86 HA PHE 86 6.980 1.489 -4.044 598 1HB PHE 86 1HB PHE 86 8.075 0.409 -1.409 599 2HB PHE 86 2HB PHE 86 7.671 2.112 -1.504 600 HD1 PHE 86 HD1 PHE 86 5.269 2.676 -2.338 601 HD2 PHE 86 HD2 PHE 86 6.424 -1.134 -0.869 602 HE1 PHE 86 HE1 PHE 86 2.866 2.133 -1.857 603 HE2 PHE 86 HE2 PHE 86 4.021 -1.677 -0.389 604 HZ PHE 86 HZ PHE 86 2.271 -0.037 -0.889 605 H LYS 87 H LYS 87 10.273 0.382 -3.420 606 HA LYS 87 HA LYS 87 11.368 3.018 -3.245 607 1HB LYS 87 1HB LYS 87 12.550 1.376 -2.058 608 2HB LYS 87 2HB LYS 87 12.495 0.228 -3.381 609 1HG LYS 87 1HG LYS 87 13.954 1.810 -4.736 610 2HG LYS 87 2HG LYS 87 14.092 2.832 -3.320 611 1HD LYS 87 1HD LYS 87 14.706 -0.042 -2.824 612 2HD LYS 87 2HD LYS 87 15.808 0.751 -3.931 613 1HE LYS 87 1HE LYS 87 15.949 2.657 -2.157 614 2HE LYS 87 2HE LYS 87 15.171 1.535 -1.058 615 1HZ LYS 87 1HZ LYS 87 17.397 1.152 -0.755 616 2HZ LYS 87 2HZ LYS 87 17.010 -0.041 -1.801 617 3HZ LYS 87 3HZ LYS 87 17.782 1.295 -2.335 618 H THR 88 H THR 88 10.866 0.519 -5.770 619 HA THR 88 HA THR 88 12.085 2.331 -7.727 620 HB THR 88 HB THR 88 12.327 0.346 -9.082 621 HG1 THR 88 HG1 THR 88 10.667 -0.942 -7.041 622 1HG2 THR 88 1HG2 THR 88 13.252 0.295 -6.369 623 2HG2 THR 88 2HG2 THR 88 12.598 -1.324 -6.713 624 3HG2 THR 88 3HG2 THR 88 13.885 -0.648 -7.740 625 H ALA 89 H ALA 89 9.213 2.196 -6.274 626 HA ALA 89 HA ALA 89 7.458 1.933 -8.496 627 1HB ALA 89 1HB ALA 89 6.576 1.462 -6.340 628 2HB ALA 89 2HB ALA 89 7.214 2.978 -5.659 629 3HB ALA 89 3HB ALA 89 5.852 3.020 -6.805 630 H LYS 90 H LYS 90 6.535 3.529 -9.803 631 HA LYS 90 HA LYS 90 7.882 6.125 -9.621 632 1HB LYS 90 1HB LYS 90 6.998 4.392 -11.858 633 2HB LYS 90 2HB LYS 90 6.720 6.107 -12.078 634 1HG LYS 90 1HG LYS 90 9.407 4.950 -11.206 635 2HG LYS 90 2HG LYS 90 8.995 5.260 -12.881 636 1HD LYS 90 1HD LYS 90 8.553 7.679 -12.285 637 2HD LYS 90 2HD LYS 90 9.077 7.342 -10.647 638 1HE LYS 90 1HE LYS 90 11.294 6.493 -11.660 639 2HE LYS 90 2HE LYS 90 10.753 7.158 -13.189 640 1HZ LYS 90 1HZ LYS 90 10.797 9.287 -12.337 641 2HZ LYS 90 2HZ LYS 90 10.774 8.807 -10.776 642 3HZ LYS 90 3HZ LYS 90 12.128 8.615 -11.669 643 H GLU 91 H GLU 91 6.611 8.082 -9.944 644 HA GLU 91 HA GLU 91 3.968 7.706 -8.831 645 1HB GLU 91 1HB GLU 91 5.399 10.353 -9.268 646 2HB GLU 91 2HB GLU 91 4.078 10.017 -8.166 647 1HG GLU 91 1HG GLU 91 5.487 8.672 -6.729 648 2HG GLU 91 2HG GLU 91 6.771 8.613 -7.920 649 HA PRO 92 HA PRO 92 2.296 8.741 -8.649 650 1HB PRO 92 1HB PRO 92 -0.290 8.088 -9.243 651 2HB PRO 92 2HB PRO 92 0.263 9.740 -9.058 652 1HG PRO 92 1HG PRO 92 -0.388 8.270 -11.539 653 2HG PRO 92 2HG PRO 92 -0.251 9.999 -11.292 654 1HD PRO 92 1HD PRO 92 1.676 8.288 -12.551 655 2HD PRO 92 2HD PRO 92 1.861 9.995 -12.200 656 H ILE 93 H ILE 93 2.007 7.072 -7.177 657 HA ILE 93 HA ILE 93 2.463 4.491 -8.458 658 HB ILE 93 HB ILE 93 2.716 5.304 -5.560 659 1HG1 ILE 93 1HG1 ILE 93 5.073 4.816 -7.343 660 2HG1 ILE 93 2HG1 ILE 93 4.259 6.365 -7.440 661 1HG2 ILE 93 1HG2 ILE 93 2.411 2.979 -5.601 662 2HG2 ILE 93 2HG2 ILE 93 3.390 2.783 -7.074 663 3HG2 ILE 93 3HG2 ILE 93 4.176 3.204 -5.534 664 1HD1 ILE 93 1HD1 ILE 93 4.766 5.404 -4.665 665 2HD1 ILE 93 2HD1 ILE 93 6.221 5.782 -5.617 666 3HD1 ILE 93 3HD1 ILE 93 4.975 7.027 -5.363 667 H VAL 94 H VAL 94 0.691 3.313 -8.931 668 HA VAL 94 HA VAL 94 -1.751 3.815 -7.481 669 HB VAL 94 HB VAL 94 -1.880 3.585 -9.848 670 1HG1 VAL 94 1HG1 VAL 94 -0.253 1.093 -9.406 671 2HG1 VAL 94 2HG1 VAL 94 -1.315 1.224 -10.829 672 3HG1 VAL 94 3HG1 VAL 94 -0.015 2.413 -10.576 673 1HG2 VAL 94 1HG2 VAL 94 -3.149 1.581 -8.094 674 2HG2 VAL 94 2HG2 VAL 94 -3.872 2.703 -9.271 675 3HG2 VAL 94 3HG2 VAL 94 -3.165 1.167 -9.825 676 H VAL 95 H VAL 95 -1.970 2.935 -5.485 677 HA VAL 95 HA VAL 95 -0.939 0.204 -5.142 678 HB VAL 95 HB VAL 95 -1.559 1.866 -2.778 679 1HG1 VAL 95 1HG1 VAL 95 1.006 0.846 -2.554 680 2HG1 VAL 95 2HG1 VAL 95 -0.484 0.074 -1.962 681 3HG1 VAL 95 3HG1 VAL 95 0.174 -0.367 -3.556 682 1HG2 VAL 95 1HG2 VAL 95 0.730 2.983 -2.978 683 2HG2 VAL 95 2HG2 VAL 95 0.665 2.568 -4.708 684 3HG2 VAL 95 3HG2 VAL 95 -0.572 3.636 -4.002 685 H GLN 96 H GLN 96 -2.279 -1.322 -4.009 686 HA GLN 96 HA GLN 96 -5.023 -0.433 -3.663 687 1HB GLN 96 1HB GLN 96 -5.110 -1.475 -5.817 688 2HB GLN 96 2HB GLN 96 -4.059 -2.787 -5.322 689 1HG GLN 96 1HG GLN 96 -5.756 -3.937 -4.236 690 2HG GLN 96 2HG GLN 96 -6.582 -2.474 -3.737 691 1HE2 GLN 96 1HE2 GLN 96 -7.762 -1.253 -5.329 692 2HE2 GLN 96 2HE2 GLN 96 -8.509 -2.049 -6.674 693 H VAL 97 H VAL 97 -6.198 -1.563 -2.011 694 HA VAL 97 HA VAL 97 -4.650 -3.562 -0.539 695 HB VAL 97 HB VAL 97 -5.302 -2.466 1.569 696 1HG1 VAL 97 1HG1 VAL 97 -3.128 -1.916 1.199 697 2HG1 VAL 97 2HG1 VAL 97 -3.453 -1.257 -0.423 698 3HG1 VAL 97 3HG1 VAL 97 -3.816 -0.283 1.023 699 1HG2 VAL 97 1HG2 VAL 97 -6.815 -0.760 -0.247 700 2HG2 VAL 97 2HG2 VAL 97 -6.961 -0.966 1.515 701 3HG2 VAL 97 3HG2 VAL 97 -5.780 0.187 0.849 702 H LEU 98 H LEU 98 -6.089 -4.790 1.031 703 HA LEU 98 HA LEU 98 -8.742 -5.049 -0.196 704 1HB LEU 98 1HB LEU 98 -6.698 -6.950 0.666 705 2HB LEU 98 2HB LEU 98 -8.284 -7.317 1.315 706 HG LEU 98 HG LEU 98 -9.227 -7.650 -0.805 707 1HD1 LEU 98 1HD1 LEU 98 -7.332 -5.655 -1.648 708 2HD1 LEU 98 2HD1 LEU 98 -7.257 -7.063 -2.734 709 3HD1 LEU 98 3HD1 LEU 98 -8.808 -6.234 -2.458 710 1HD2 LEU 98 1HD2 LEU 98 -8.169 -9.618 -0.738 711 2HD2 LEU 98 2HD2 LEU 98 -7.113 -8.936 -1.998 712 3HD2 LEU 98 3HD2 LEU 98 -6.613 -8.877 -0.291 713 H ARG 99 H ARG 99 -10.091 -3.724 0.953 714 HA ARG 99 HA ARG 99 -9.824 -3.846 3.838 715 1HB ARG 99 1HB ARG 99 -10.098 -1.662 2.170 716 2HB ARG 99 2HB ARG 99 -11.773 -1.936 2.610 717 1HG ARG 99 1HG ARG 99 -11.169 -1.870 5.025 718 2HG ARG 99 2HG ARG 99 -9.480 -1.655 4.611 719 1HD ARG 99 1HD ARG 99 -10.442 0.424 3.199 720 2HD ARG 99 2HD ARG 99 -11.764 0.303 4.343 721 HE ARG 99 HE ARG 99 -8.980 1.073 4.948 722 1HH1 ARG 99 1HH1 ARG 99 -12.102 0.088 6.237 723 2HH1 ARG 99 2HH1 ARG 99 -11.792 0.721 7.819 724 1HH2 ARG 99 1HH2 ARG 99 -8.571 1.909 7.035 725 2HH2 ARG 99 2HH2 ARG 99 -9.770 1.765 8.276 726 H ARG 100 H ARG 100 -11.253 -5.152 4.937 727 HA ARG 100 HA ARG 100 -13.117 -6.679 3.787 728 1HB ARG 100 1HB ARG 100 -14.063 -7.007 6.049 729 2HB ARG 100 2HB ARG 100 -12.316 -6.907 6.144 730 1HG ARG 100 1HG ARG 100 -13.527 -4.242 6.350 731 2HG ARG 100 2HG ARG 100 -14.190 -5.323 7.560 732 1HD ARG 100 1HD ARG 100 -12.294 -5.127 8.792 733 2HD ARG 100 2HD ARG 100 -11.353 -5.799 7.475 734 HE ARG 100 HE ARG 100 -11.837 -3.120 6.760 735 1HH1 ARG 100 1HH1 ARG 100 -10.239 -4.822 9.393 736 2HH1 ARG 100 2HH1 ARG 100 -9.105 -3.548 9.698 737 1HH2 ARG 100 1HH2 ARG 100 -10.341 -1.440 7.162 738 2HH2 ARG 100 2HH2 ARG 100 -9.164 -1.612 8.420 739 H THR 101 H THR 101 -15.639 -6.603 4.361 740 HA THR 101 HA THR 101 -16.574 -3.956 3.506 741 HB THR 101 HB THR 101 -17.008 -6.061 2.108 742 HG1 THR 101 HG1 THR 101 -19.101 -5.199 1.738 743 1HG2 THR 101 1HG2 THR 101 -18.414 -7.760 2.876 744 2HG2 THR 101 2HG2 THR 101 -17.634 -7.342 4.420 745 3HG2 THR 101 3HG2 THR 101 -19.242 -6.686 4.029 746 H SER 102 H SER 102 -18.425 -2.976 4.479 747 HA SER 102 HA SER 102 -19.396 -4.144 6.891 748 1HB SER 102 1HB SER 102 -17.376 -1.952 6.914 749 2HB SER 102 2HB SER 102 -18.772 -1.678 7.938 750 HG SER 102 HG SER 102 -18.134 -3.230 9.292 751 H GLY 103 H GLY 103 -21.427 -3.212 7.512 752 1HA GLY 103 1HA GLY 103 -22.362 -0.739 6.479 753 2HA GLY 103 2HA GLY 103 -22.964 -2.070 5.510 754 HA PRO 104 HA PRO 104 -25.265 -1.659 9.569 755 1HB PRO 104 1HB PRO 104 -27.191 0.211 9.056 756 2HB PRO 104 2HB PRO 104 -25.709 0.573 9.919 757 1HG PRO 104 1HG PRO 104 -26.447 1.251 7.138 758 2HG PRO 104 2HG PRO 104 -25.191 1.949 8.142 759 1HD PRO 104 1HD PRO 104 -24.834 0.062 6.011 760 2HD PRO 104 2HD PRO 104 -23.595 0.671 7.089 761 H SER 105 H SER 105 -26.374 -3.490 9.757 762 HA SER 105 HA SER 105 -27.864 -4.300 7.476 763 1HB SER 105 1HB SER 105 -28.326 -6.338 8.806 764 2HB SER 105 2HB SER 105 -26.618 -5.946 8.812 765 HG SER 105 HG SER 105 -28.274 -4.921 10.913 766 H SER 106 H SER 106 -30.210 -4.909 7.579 767 HA SER 106 HA SER 106 -31.653 -3.595 9.708 768 1HB SER 106 1HB SER 106 -33.204 -2.531 8.014 769 2HB SER 106 2HB SER 106 -31.596 -1.836 8.061 770 HG SER 106 HG SER 106 -31.074 -3.332 6.224 771 H GLY 107 H GLY 107 -32.142 -5.209 6.474 772 1HA GLY 107 1HA GLY 107 -32.864 -7.626 6.827 773 2HA GLY 107 2HA GLY 107 -34.184 -6.922 7.740 Start of MODEL 12 1 1H GLY 1 1H GLY 1 -28.331 -10.256 -6.036 2 1HA GLY 1 1HA GLY 1 -30.845 -10.180 -4.513 3 2HA GLY 1 2HA GLY 1 -29.433 -10.932 -3.797 4 H SER 2 H SER 2 -28.743 -9.515 -2.227 5 HA SER 2 HA SER 2 -28.146 -6.829 -3.176 6 1HB SER 2 1HB SER 2 -29.716 -7.678 -0.757 7 2HB SER 2 2HB SER 2 -28.651 -6.298 -0.576 8 HG SER 2 HG SER 2 -30.934 -5.862 -1.297 9 H SER 3 H SER 3 -26.277 -5.821 -2.111 10 HA SER 3 HA SER 3 -24.187 -7.514 -1.739 11 1HB SER 3 1HB SER 3 -24.110 -5.019 -2.180 12 2HB SER 3 2HB SER 3 -24.485 -4.748 -0.489 13 HG SER 3 HG SER 3 -22.076 -5.581 -1.692 14 H GLY 4 H GLY 4 -23.492 -8.814 -0.067 15 1HA GLY 4 1HA GLY 4 -24.925 -8.570 2.495 16 2HA GLY 4 2HA GLY 4 -24.148 -10.009 1.866 17 H SER 5 H SER 5 -21.883 -10.319 2.103 18 HA SER 5 HA SER 5 -20.390 -8.157 3.270 19 1HB SER 5 1HB SER 5 -20.573 -10.848 4.692 20 2HB SER 5 2HB SER 5 -19.644 -9.457 5.213 21 HG SER 5 HG SER 5 -22.497 -9.815 5.193 22 H SER 6 H SER 6 -18.131 -8.352 2.849 23 HA SER 6 HA SER 6 -16.718 -10.551 2.342 24 1HB SER 6 1HB SER 6 -18.597 -10.170 0.181 25 2HB SER 6 2HB SER 6 -16.984 -9.895 -0.445 26 HG SER 6 HG SER 6 -17.484 -12.127 -0.607 27 H GLY 7 H GLY 7 -14.542 -9.994 1.740 28 1HA GLY 7 1HA GLY 7 -13.740 -7.382 2.186 29 2HA GLY 7 2HA GLY 7 -12.785 -8.633 1.414 30 H LYS 8 H LYS 8 -12.761 -5.793 0.738 31 HA LYS 8 HA LYS 8 -13.575 -6.058 -2.056 32 1HB LYS 8 1HB LYS 8 -14.801 -4.309 -0.121 33 2HB LYS 8 2HB LYS 8 -13.974 -3.347 -1.329 34 1HG LYS 8 1HG LYS 8 -15.900 -3.670 -2.536 35 2HG LYS 8 2HG LYS 8 -15.144 -5.190 -2.967 36 1HD LYS 8 1HD LYS 8 -16.319 -6.341 -1.111 37 2HD LYS 8 2HD LYS 8 -17.015 -4.823 -0.580 38 1HE LYS 8 1HE LYS 8 -18.636 -4.855 -2.201 39 2HE LYS 8 2HE LYS 8 -17.515 -5.365 -3.448 40 1HZ LYS 8 1HZ LYS 8 -18.759 -7.095 -1.426 41 2HZ LYS 8 2HZ LYS 8 -19.073 -7.085 -3.029 42 3HZ LYS 8 3HZ LYS 8 -17.622 -7.599 -2.484 43 H SER 9 H SER 9 -12.287 -4.757 -3.529 44 HA SER 9 HA SER 9 -9.719 -4.133 -2.312 45 1HB SER 9 1HB SER 9 -8.719 -4.562 -4.479 46 2HB SER 9 2HB SER 9 -9.779 -5.904 -4.095 47 HG SER 9 HG SER 9 -9.903 -4.120 -6.205 48 H LEU 10 H LEU 10 -8.897 -2.039 -2.434 49 HA LEU 10 HA LEU 10 -10.403 -0.165 -4.119 50 1HB LEU 10 1HB LEU 10 -9.228 0.672 -1.498 51 2HB LEU 10 2HB LEU 10 -10.496 1.425 -2.444 52 HG LEU 10 HG LEU 10 -10.829 -1.225 -1.018 53 1HD1 LEU 10 1HD1 LEU 10 -11.931 -0.072 0.775 54 2HD1 LEU 10 2HD1 LEU 10 -10.312 0.634 0.560 55 3HD1 LEU 10 3HD1 LEU 10 -11.746 1.494 -0.050 56 1HD2 LEU 10 1HD2 LEU 10 -12.428 0.195 -2.926 57 2HD2 LEU 10 2HD2 LEU 10 -12.741 -1.365 -2.129 58 3HD2 LEU 10 3HD2 LEU 10 -13.280 0.149 -1.364 59 H THR 11 H THR 11 -9.127 1.750 -4.804 60 HA THR 11 HA THR 11 -6.286 1.014 -5.042 61 HB THR 11 HB THR 11 -7.762 2.919 -6.887 62 HG1 THR 11 HG1 THR 11 -7.612 -0.005 -7.032 63 1HG2 THR 11 1HG2 THR 11 -6.298 1.685 -8.571 64 2HG2 THR 11 2HG2 THR 11 -5.373 2.595 -7.353 65 3HG2 THR 11 3HG2 THR 11 -5.545 0.830 -7.203 66 H LEU 12 H LEU 12 -4.675 2.476 -4.566 67 HA LEU 12 HA LEU 12 -5.552 5.108 -3.658 68 1HB LEU 12 1HB LEU 12 -3.523 4.159 -1.892 69 2HB LEU 12 2HB LEU 12 -5.130 4.757 -1.528 70 HG LEU 12 HG LEU 12 -5.714 2.220 -2.349 71 1HD1 LEU 12 1HD1 LEU 12 -3.821 1.039 -2.510 72 2HD1 LEU 12 2HD1 LEU 12 -2.870 2.254 -1.622 73 3HD1 LEU 12 3HD1 LEU 12 -3.833 1.051 -0.730 74 1HD2 LEU 12 1HD2 LEU 12 -5.144 2.073 0.438 75 2HD2 LEU 12 2HD2 LEU 12 -5.703 3.723 0.072 76 3HD2 LEU 12 3HD2 LEU 12 -6.709 2.323 -0.372 77 H VAL 13 H VAL 13 -4.095 6.753 -4.120 78 HA VAL 13 HA VAL 13 -1.814 5.890 -5.732 79 HB VAL 13 HB VAL 13 -3.778 7.586 -6.354 80 1HG1 VAL 13 1HG1 VAL 13 -1.641 9.389 -5.166 81 2HG1 VAL 13 2HG1 VAL 13 -3.075 9.910 -6.084 82 3HG1 VAL 13 3HG1 VAL 13 -3.269 9.130 -4.495 83 1HG2 VAL 13 1HG2 VAL 13 -1.759 6.743 -7.702 84 2HG2 VAL 13 2HG2 VAL 13 -2.450 8.319 -8.156 85 3HG2 VAL 13 3HG2 VAL 13 -0.951 8.247 -7.198 86 H LEU 14 H LEU 14 0.147 5.840 -4.775 87 HA LEU 14 HA LEU 14 0.509 7.552 -2.422 88 1HB LEU 14 1HB LEU 14 1.931 5.021 -3.259 89 2HB LEU 14 2HB LEU 14 2.336 5.985 -1.853 90 HG LEU 14 HG LEU 14 -0.231 4.452 -2.334 91 1HD1 LEU 14 1HD1 LEU 14 0.609 2.807 -1.079 92 2HD1 LEU 14 2HD1 LEU 14 2.193 3.559 -1.385 93 3HD1 LEU 14 3HD1 LEU 14 1.302 3.938 0.108 94 1HD2 LEU 14 1HD2 LEU 14 0.482 6.236 0.011 95 2HD2 LEU 14 2HD2 LEU 14 -0.748 6.571 -1.232 96 3HD2 LEU 14 3HD2 LEU 14 -0.957 5.196 -0.121 97 H HIS 15 H HIS 15 2.594 8.655 -2.169 98 HA HIS 15 HA HIS 15 3.943 9.053 -4.734 99 1HB HIS 15 1HB HIS 15 3.092 11.216 -2.788 100 2HB HIS 15 2HB HIS 15 4.134 11.469 -4.174 101 HD1 HIS 15 HD1 HIS 15 3.001 12.012 -6.354 102 HD2 HIS 15 HD2 HIS 15 0.378 10.286 -3.572 103 HE1 HIS 15 HE1 HIS 15 0.675 12.130 -7.396 104 H ARG 16 H ARG 16 6.074 10.506 -4.163 105 HA ARG 16 HA ARG 16 7.211 9.228 -1.807 106 1HB ARG 16 1HB ARG 16 8.567 9.785 -4.494 107 2HB ARG 16 2HB ARG 16 9.405 9.184 -3.077 108 1HG ARG 16 1HG ARG 16 7.444 7.330 -3.153 109 2HG ARG 16 2HG ARG 16 7.412 7.777 -4.847 110 1HD ARG 16 1HD ARG 16 10.138 7.318 -3.697 111 2HD ARG 16 2HD ARG 16 9.117 5.898 -3.800 112 HE ARG 16 HE ARG 16 9.214 6.000 -6.152 113 1HH1 ARG 16 1HH1 ARG 16 10.507 8.966 -4.767 114 2HH1 ARG 16 2HH1 ARG 16 11.143 9.542 -6.272 115 1HH2 ARG 16 1HH2 ARG 16 10.053 6.760 -8.137 116 2HH2 ARG 16 2HH2 ARG 16 10.883 8.279 -8.201 117 H ASP 17 H ASP 17 6.618 11.251 -0.653 118 HA ASP 17 HA ASP 17 7.590 13.714 -1.578 119 1HB ASP 17 1HB ASP 17 5.721 13.751 -0.080 120 2HB ASP 17 2HB ASP 17 6.510 12.687 1.068 121 H SER 18 H SER 18 9.891 12.692 -1.957 122 HA SER 18 HA SER 18 12.008 13.006 -1.422 123 1HB SER 18 1HB SER 18 10.906 14.511 0.583 124 2HB SER 18 2HB SER 18 11.669 13.255 1.536 125 HG SER 18 HG SER 18 13.501 14.306 1.240 126 H GLY 19 H GLY 19 11.426 10.575 -1.953 127 1HA GLY 19 1HA GLY 19 11.560 8.364 -1.473 128 2HA GLY 19 2HA GLY 19 13.050 8.851 -0.689 129 H SER 20 H SER 20 9.495 9.148 0.055 130 HA SER 20 HA SER 20 9.781 7.482 2.314 131 1HB SER 20 1HB SER 20 10.606 10.016 2.862 132 2HB SER 20 2HB SER 20 8.888 10.220 3.143 133 HG SER 20 HG SER 20 10.114 9.553 5.064 134 H LEU 21 H LEU 21 8.038 6.396 1.204 135 HA LEU 21 HA LEU 21 5.788 7.530 0.176 136 1HB LEU 21 1HB LEU 21 6.275 4.887 1.530 137 2HB LEU 21 2HB LEU 21 4.711 5.300 0.855 138 HG LEU 21 HG LEU 21 6.099 3.920 -0.653 139 1HD1 LEU 21 1HD1 LEU 21 4.782 6.415 -1.312 140 2HD1 LEU 21 2HD1 LEU 21 6.056 6.025 -2.492 141 3HD1 LEU 21 3HD1 LEU 21 4.761 4.850 -2.161 142 1HD2 LEU 21 1HD2 LEU 21 7.913 6.336 -0.874 143 2HD2 LEU 21 2HD2 LEU 21 8.296 4.855 0.037 144 3HD2 LEU 21 3HD2 LEU 21 8.073 4.782 -1.727 145 H GLY 22 H GLY 22 6.542 6.756 3.608 146 1HA GLY 22 1HA GLY 22 5.723 8.135 5.337 147 2HA GLY 22 2HA GLY 22 4.303 8.506 4.379 148 H PHE 23 H PHE 23 5.854 5.296 5.041 149 HA PHE 23 HA PHE 23 4.045 4.515 7.012 150 1HB PHE 23 1HB PHE 23 2.441 3.263 5.729 151 2HB PHE 23 2HB PHE 23 2.626 4.731 4.789 152 HD1 PHE 23 HD1 PHE 23 2.363 1.329 4.496 153 HD2 PHE 23 HD2 PHE 23 4.770 4.525 3.084 154 HE1 PHE 23 HE1 PHE 23 2.997 -0.036 2.487 155 HE2 PHE 23 HE2 PHE 23 5.404 3.161 1.075 156 HZ PHE 23 HZ PHE 23 4.510 0.896 0.801 157 H ASN 24 H ASN 24 4.038 1.947 7.163 158 HA ASN 24 HA ASN 24 6.621 1.031 6.176 159 1HB ASN 24 1HB ASN 24 5.403 0.536 8.945 160 2HB ASN 24 2HB ASN 24 6.869 -0.227 8.363 161 1HD2 ASN 24 1HD2 ASN 24 6.723 1.338 10.661 162 2HD2 ASN 24 2HD2 ASN 24 7.678 2.769 10.463 163 H ILE 25 H ILE 25 6.702 -1.529 6.386 164 HA ILE 25 HA ILE 25 4.008 -2.631 6.026 165 HB ILE 25 HB ILE 25 5.336 -4.150 4.310 166 1HG1 ILE 25 1HG1 ILE 25 6.685 -1.522 3.744 167 2HG1 ILE 25 2HG1 ILE 25 7.427 -2.664 4.846 168 1HG2 ILE 25 1HG2 ILE 25 3.278 -2.621 4.042 169 2HG2 ILE 25 2HG2 ILE 25 4.425 -1.437 3.371 170 3HG2 ILE 25 3HG2 ILE 25 4.230 -3.027 2.595 171 1HD1 ILE 25 1HD1 ILE 25 8.344 -3.296 2.771 172 2HD1 ILE 25 2HD1 ILE 25 6.985 -4.433 2.943 173 3HD1 ILE 25 3HD1 ILE 25 6.820 -3.002 1.899 174 H ILE 26 H ILE 26 3.919 -5.013 6.408 175 HA ILE 26 HA ILE 26 6.159 -5.998 7.993 176 HB ILE 26 HB ILE 26 4.966 -6.412 9.901 177 1HG1 ILE 26 1HG1 ILE 26 2.371 -6.037 8.376 178 2HG1 ILE 26 2HG1 ILE 26 3.088 -7.578 8.804 179 1HG2 ILE 26 1HG2 ILE 26 5.293 -3.959 9.458 180 2HG2 ILE 26 2HG2 ILE 26 3.588 -3.891 8.953 181 3HG2 ILE 26 3HG2 ILE 26 4.005 -4.357 10.620 182 1HD1 ILE 26 1HD1 ILE 26 1.962 -5.456 10.666 183 2HD1 ILE 26 2HD1 ILE 26 1.486 -7.165 10.519 184 3HD1 ILE 26 3HD1 ILE 26 3.047 -6.736 11.261 185 H GLY 27 H GLY 27 6.050 -8.385 8.299 186 1HA GLY 27 1HA GLY 27 4.763 -10.390 7.686 187 2HA GLY 27 2HA GLY 27 4.479 -9.641 6.128 188 H GLY 28 H GLY 28 5.639 -10.780 4.624 189 1HA GLY 28 1HA GLY 28 7.371 -11.778 3.597 190 2HA GLY 28 2HA GLY 28 8.383 -10.592 4.396 191 H ARG 29 H ARG 29 9.444 -11.108 6.409 192 HA ARG 29 HA ARG 29 10.352 -12.370 7.917 193 1HB ARG 29 1HB ARG 29 7.772 -13.630 7.586 194 2HB ARG 29 2HB ARG 29 8.961 -14.904 7.769 195 1HG ARG 29 1HG ARG 29 9.486 -14.305 9.945 196 2HG ARG 29 2HG ARG 29 9.251 -12.593 9.649 197 1HD ARG 29 1HD ARG 29 6.675 -13.706 9.305 198 2HD ARG 29 2HD ARG 29 7.338 -14.582 10.671 199 HE ARG 29 HE ARG 29 7.931 -11.822 11.056 200 1HH1 ARG 29 1HH1 ARG 29 5.130 -13.950 10.949 201 2HH1 ARG 29 2HH1 ARG 29 4.183 -12.968 12.016 202 1HH2 ARG 29 1HH2 ARG 29 6.681 -10.526 12.463 203 2HH2 ARG 29 2HH2 ARG 29 5.071 -11.007 12.883 204 HA PRO 30 HA PRO 30 13.000 -14.967 5.622 205 1HB PRO 30 1HB PRO 30 14.386 -16.265 7.587 206 2HB PRO 30 2HB PRO 30 14.748 -14.627 7.081 207 1HG PRO 30 1HG PRO 30 13.378 -15.550 9.533 208 2HG PRO 30 2HG PRO 30 14.118 -13.995 9.208 209 1HD PRO 30 1HD PRO 30 11.313 -14.595 9.204 210 2HD PRO 30 2HD PRO 30 12.060 -13.071 8.767 211 H SER 31 H SER 31 13.030 -16.837 4.472 212 HA SER 31 HA SER 31 12.505 -19.267 5.557 213 1HB SER 31 1HB SER 31 10.072 -17.712 5.258 214 2HB SER 31 2HB SER 31 10.013 -19.083 4.169 215 HG SER 31 HG SER 31 10.404 -20.503 5.953 216 H VAL 32 H VAL 32 14.276 -19.436 3.964 217 HA VAL 32 HA VAL 32 13.247 -19.604 1.214 218 HB VAL 32 HB VAL 32 15.609 -19.151 0.540 219 1HG1 VAL 32 1HG1 VAL 32 14.591 -17.191 0.155 220 2HG1 VAL 32 2HG1 VAL 32 13.673 -17.272 1.678 221 3HG1 VAL 32 3HG1 VAL 32 15.336 -16.637 1.675 222 1HG2 VAL 32 1HG2 VAL 32 16.131 -19.508 3.278 223 2HG2 VAL 32 2HG2 VAL 32 17.274 -18.985 2.018 224 3HG2 VAL 32 3HG2 VAL 32 16.384 -17.773 2.970 225 H ASP 33 H ASP 33 12.542 -21.810 2.005 226 HA ASP 33 HA ASP 33 14.848 -23.593 1.908 227 1HB ASP 33 1HB ASP 33 13.311 -25.220 3.175 228 2HB ASP 33 2HB ASP 33 13.922 -23.857 4.091 229 H ASN 34 H ASN 34 14.803 -24.903 0.071 230 HA ASN 34 HA ASN 34 12.179 -25.326 -1.129 231 1HB ASN 34 1HB ASN 34 14.748 -24.382 -2.280 232 2HB ASN 34 2HB ASN 34 14.062 -25.721 -3.178 233 1HD2 ASN 34 1HD2 ASN 34 14.352 -22.704 -3.555 234 2HD2 ASN 34 2HD2 ASN 34 12.793 -22.166 -4.084 235 H HIS 35 H HIS 35 11.830 -27.433 -0.229 236 HA HIS 35 HA HIS 35 13.067 -29.571 -1.484 237 1HB HIS 35 1HB HIS 35 14.634 -28.548 0.642 238 2HB HIS 35 2HB HIS 35 13.909 -30.028 1.238 239 HD1 HIS 35 HD1 HIS 35 16.912 -30.023 0.831 240 HD2 HIS 35 HD2 HIS 35 14.213 -31.121 -2.187 241 HE1 HIS 35 HE1 HIS 35 18.220 -31.484 -0.803 242 H ASP 36 H ASP 36 11.891 -28.789 1.872 243 HA ASP 36 HA ASP 36 9.486 -30.234 1.256 244 1HB ASP 36 1HB ASP 36 9.662 -31.678 3.261 245 2HB ASP 36 2HB ASP 36 10.967 -32.003 2.137 246 H GLY 37 H GLY 37 7.906 -28.806 1.989 247 1HA GLY 37 1HA GLY 37 7.297 -28.015 4.434 248 2HA GLY 37 2HA GLY 37 8.592 -26.888 4.082 249 H SER 38 H SER 38 6.731 -25.292 4.373 250 HA SER 38 HA SER 38 5.807 -24.606 1.767 251 1HB SER 38 1HB SER 38 4.041 -25.989 3.607 252 2HB SER 38 2HB SER 38 3.452 -24.355 3.372 253 HG SER 38 HG SER 38 3.321 -26.486 1.662 254 H SER 39 H SER 39 6.394 -22.470 1.690 255 HA SER 39 HA SER 39 6.499 -21.021 4.171 256 1HB SER 39 1HB SER 39 7.606 -19.256 2.781 257 2HB SER 39 2HB SER 39 8.410 -20.809 2.677 258 HG SER 39 HG SER 39 8.247 -20.354 0.559 259 H SER 40 H SER 40 5.526 -18.796 4.331 260 HA SER 40 HA SER 40 3.508 -18.158 2.427 261 1HB SER 40 1HB SER 40 2.836 -19.572 4.920 262 2HB SER 40 2HB SER 40 1.997 -18.039 4.791 263 HG SER 40 HG SER 40 1.683 -18.988 2.393 264 H GLU 41 H GLU 41 3.520 -15.940 2.265 265 HA GLU 41 HA GLU 41 4.002 -14.438 4.688 266 1HB GLU 41 1HB GLU 41 5.681 -12.992 3.529 267 2HB GLU 41 2HB GLU 41 6.236 -14.641 3.732 268 1HG GLU 41 1HG GLU 41 4.755 -14.109 1.192 269 2HG GLU 41 2HG GLU 41 6.291 -13.279 1.343 270 H GLY 42 H GLY 42 3.384 -12.101 4.441 271 1HA GLY 42 1HA GLY 42 1.780 -11.494 2.071 272 2HA GLY 42 2HA GLY 42 0.952 -11.559 3.614 273 H ILE 43 H ILE 43 1.386 -9.218 1.823 274 HA ILE 43 HA ILE 43 3.192 -7.608 3.466 275 HB ILE 43 HB ILE 43 1.974 -7.105 0.750 276 1HG1 ILE 43 1HG1 ILE 43 3.594 -8.729 0.389 277 2HG1 ILE 43 2HG1 ILE 43 4.463 -7.235 0.102 278 1HG2 ILE 43 1HG2 ILE 43 3.828 -5.249 0.833 279 2HG2 ILE 43 2HG2 ILE 43 2.219 -4.961 1.537 280 3HG2 ILE 43 3HG2 ILE 43 3.590 -5.382 2.592 281 1HD1 ILE 43 1HD1 ILE 43 4.505 -8.882 2.672 282 2HD1 ILE 43 2HD1 ILE 43 5.836 -8.694 1.504 283 3HD1 ILE 43 3HD1 ILE 43 5.304 -7.303 2.478 284 H PHE 44 H PHE 44 2.413 -6.164 4.919 285 HA PHE 44 HA PHE 44 -0.343 -5.268 4.565 286 1HB PHE 44 1HB PHE 44 1.005 -6.543 7.016 287 2HB PHE 44 2HB PHE 44 -0.486 -5.632 7.153 288 HD1 PHE 44 HD1 PHE 44 -2.571 -6.615 6.610 289 HD2 PHE 44 HD2 PHE 44 1.026 -8.650 5.646 290 HE1 PHE 44 HE1 PHE 44 -3.885 -8.686 6.079 291 HE2 PHE 44 HE2 PHE 44 -0.289 -10.722 5.115 292 HZ PHE 44 HZ PHE 44 -2.729 -10.715 5.338 293 H VAL 45 H VAL 45 -0.839 -3.403 6.154 294 HA VAL 45 HA VAL 45 1.582 -1.755 6.335 295 HB VAL 45 HB VAL 45 -1.338 -1.013 6.074 296 1HG1 VAL 45 1HG1 VAL 45 0.870 0.499 7.114 297 2HG1 VAL 45 2HG1 VAL 45 0.364 1.204 5.561 298 3HG1 VAL 45 3HG1 VAL 45 -0.820 1.002 6.874 299 1HG2 VAL 45 1HG2 VAL 45 0.961 -0.688 4.117 300 2HG2 VAL 45 2HG2 VAL 45 -0.323 -1.915 4.010 301 3HG2 VAL 45 3HG2 VAL 45 -0.728 -0.188 3.859 302 H SER 46 H SER 46 2.279 -1.047 8.309 303 HA SER 46 HA SER 46 0.459 -1.583 10.526 304 1HB SER 46 1HB SER 46 2.472 -3.117 10.393 305 2HB SER 46 2HB SER 46 3.506 -1.715 10.588 306 HG SER 46 HG SER 46 1.586 -1.695 12.547 307 H LYS 47 H LYS 47 2.999 0.504 9.082 308 HA LYS 47 HA LYS 47 2.292 2.566 11.051 309 1HB LYS 47 1HB LYS 47 4.663 1.726 11.074 310 2HB LYS 47 2HB LYS 47 4.853 2.345 9.445 311 1HG LYS 47 1HG LYS 47 5.661 3.978 11.144 312 2HG LYS 47 2HG LYS 47 4.340 4.635 10.198 313 1HD LYS 47 1HD LYS 47 2.827 4.550 11.977 314 2HD LYS 47 2HD LYS 47 3.616 3.180 12.731 315 1HE LYS 47 1HE LYS 47 5.473 5.411 12.684 316 2HE LYS 47 2HE LYS 47 3.949 5.964 13.348 317 1HZ LYS 47 1HZ LYS 47 4.055 3.914 14.766 318 2HZ LYS 47 2HZ LYS 47 5.612 3.750 14.299 319 3HZ LYS 47 3HZ LYS 47 5.141 5.083 15.117 320 H ILE 48 H ILE 48 1.870 4.704 10.294 321 HA ILE 48 HA ILE 48 1.855 5.159 7.455 322 HB ILE 48 HB ILE 48 -0.648 4.636 9.000 323 1HG1 ILE 48 1HG1 ILE 48 0.509 3.856 6.335 324 2HG1 ILE 48 2HG1 ILE 48 -0.060 2.832 7.639 325 1HG2 ILE 48 1HG2 ILE 48 -0.850 6.975 8.283 326 2HG2 ILE 48 2HG2 ILE 48 -0.485 6.492 6.609 327 3HG2 ILE 48 3HG2 ILE 48 -1.970 5.910 7.400 328 1HD1 ILE 48 1HD1 ILE 48 -1.736 2.759 5.899 329 2HD1 ILE 48 2HD1 ILE 48 -2.409 3.744 7.220 330 3HD1 ILE 48 3HD1 ILE 48 -1.757 4.534 5.764 331 H VAL 49 H VAL 49 3.087 6.986 7.598 332 HA VAL 49 HA VAL 49 2.884 8.781 9.762 333 HB VAL 49 HB VAL 49 4.523 10.007 8.659 334 1HG1 VAL 49 1HG1 VAL 49 5.286 7.538 7.233 335 2HG1 VAL 49 2HG1 VAL 49 6.131 8.432 8.520 336 3HG1 VAL 49 3HG1 VAL 49 4.823 7.298 8.935 337 1HG2 VAL 49 1HG2 VAL 49 3.466 8.843 6.066 338 2HG2 VAL 49 2HG2 VAL 49 3.431 10.541 6.596 339 3HG2 VAL 49 3HG2 VAL 49 4.982 9.767 6.192 340 H ASP 50 H ASP 50 2.009 10.934 9.816 341 HA ASP 50 HA ASP 50 -0.473 11.070 8.484 342 1HB ASP 50 1HB ASP 50 1.071 12.743 10.448 343 2HB ASP 50 2HB ASP 50 -0.190 13.559 9.546 344 H SER 51 H SER 51 1.723 13.904 8.814 345 HA SER 51 HA SER 51 1.179 15.324 6.762 346 1HB SER 51 1HB SER 51 3.851 14.579 7.907 347 2HB SER 51 2HB SER 51 3.864 15.505 6.420 348 HG SER 51 HG SER 51 2.410 17.063 7.516 349 H GLY 52 H GLY 52 3.234 12.350 6.477 350 1HA GLY 52 1HA GLY 52 4.038 12.294 3.942 351 2HA GLY 52 2HA GLY 52 3.359 10.888 4.738 352 HA PRO 53 HA PRO 53 0.587 12.512 1.318 353 1HB PRO 53 1HB PRO 53 1.633 11.459 -0.977 354 2HB PRO 53 2HB PRO 53 1.901 13.116 -0.474 355 1HG PRO 53 1HG PRO 53 3.763 10.822 -0.367 356 2HG PRO 53 2HG PRO 53 4.124 12.535 -0.278 357 1HD PRO 53 1HD PRO 53 4.066 10.677 1.907 358 2HD PRO 53 2HD PRO 53 4.313 12.409 2.010 359 H ALA 54 H ALA 54 1.820 9.650 2.458 360 HA ALA 54 HA ALA 54 0.083 7.934 0.964 361 1HB ALA 54 1HB ALA 54 2.191 7.073 1.760 362 2HB ALA 54 2HB ALA 54 1.826 7.569 3.430 363 3HB ALA 54 3HB ALA 54 0.899 6.253 2.670 364 H ALA 55 H ALA 55 0.014 9.755 4.030 365 HA ALA 55 HA ALA 55 -2.484 8.456 4.771 366 1HB ALA 55 1HB ALA 55 -2.161 9.973 6.820 367 2HB ALA 55 2HB ALA 55 -0.954 8.687 6.579 368 3HB ALA 55 3HB ALA 55 -0.564 10.367 6.139 369 H LYS 56 H LYS 56 -1.119 11.562 3.617 370 HA LYS 56 HA LYS 56 -3.356 13.145 4.034 371 1HB LYS 56 1HB LYS 56 -0.901 13.246 2.378 372 2HB LYS 56 2HB LYS 56 -2.233 14.230 1.805 373 1HG LYS 56 1HG LYS 56 -1.577 14.318 4.749 374 2HG LYS 56 2HG LYS 56 -0.496 15.142 3.644 375 1HD LYS 56 1HD LYS 56 -1.938 16.887 3.582 376 2HD LYS 56 2HD LYS 56 -3.116 15.855 2.796 377 1HE LYS 56 1HE LYS 56 -3.242 15.114 5.526 378 2HE LYS 56 2HE LYS 56 -3.079 16.859 5.555 379 1HZ LYS 56 1HZ LYS 56 -4.873 16.728 3.732 380 2HZ LYS 56 2HZ LYS 56 -5.186 15.252 4.359 381 3HZ LYS 56 3HZ LYS 56 -5.308 16.582 5.299 382 H GLU 57 H GLU 57 -2.382 12.203 0.695 383 HA GLU 57 HA GLU 57 -5.214 11.836 0.169 384 1HB GLU 57 1HB GLU 57 -2.857 12.351 -1.695 385 2HB GLU 57 2HB GLU 57 -4.488 12.048 -2.258 386 1HG GLU 57 1HG GLU 57 -5.252 14.010 -0.787 387 2HG GLU 57 2HG GLU 57 -3.559 14.368 -0.509 388 H GLY 58 H GLY 58 -2.123 10.178 0.386 389 1HA GLY 58 1HA GLY 58 -2.068 8.082 -1.193 390 2HA GLY 58 2HA GLY 58 -1.828 7.909 0.534 391 H GLY 59 H GLY 59 -4.211 8.094 1.755 392 1HA GLY 59 1HA GLY 59 -6.424 7.363 1.769 393 2HA GLY 59 2HA GLY 59 -6.166 6.495 0.269 394 H LEU 60 H LEU 60 -3.398 5.709 1.774 395 HA LEU 60 HA LEU 60 -4.092 3.107 2.319 396 1HB LEU 60 1HB LEU 60 -1.805 4.350 2.023 397 2HB LEU 60 2HB LEU 60 -1.848 4.455 3.771 398 HG LEU 60 HG LEU 60 -1.756 2.111 4.041 399 1HD1 LEU 60 1HD1 LEU 60 -2.716 2.024 1.214 400 2HD1 LEU 60 2HD1 LEU 60 -1.718 0.679 1.816 401 3HD1 LEU 60 3HD1 LEU 60 -3.242 1.093 2.637 402 1HD2 LEU 60 1HD2 LEU 60 0.325 1.551 3.118 403 2HD2 LEU 60 2HD2 LEU 60 0.044 2.527 1.656 404 3HD2 LEU 60 3HD2 LEU 60 0.339 3.328 3.218 405 H GLN 61 H GLN 61 -3.904 1.987 4.532 406 HA GLN 61 HA GLN 61 -4.760 3.620 6.718 407 1HB GLN 61 1HB GLN 61 -6.791 2.694 5.155 408 2HB GLN 61 2HB GLN 61 -6.601 1.314 6.217 409 1HG GLN 61 1HG GLN 61 -6.497 3.386 8.041 410 2HG GLN 61 2HG GLN 61 -7.577 4.062 6.837 411 1HE2 GLN 61 1HE2 GLN 61 -9.393 2.723 6.119 412 2HE2 GLN 61 2HE2 GLN 61 -10.193 1.690 7.256 413 H ILE 62 H ILE 62 -3.856 2.820 8.581 414 HA ILE 62 HA ILE 62 -2.049 0.824 8.624 415 HB ILE 62 HB ILE 62 -3.875 1.743 10.845 416 1HG1 ILE 62 1HG1 ILE 62 -1.419 2.833 9.576 417 2HG1 ILE 62 2HG1 ILE 62 -2.775 3.664 10.313 418 1HG2 ILE 62 1HG2 ILE 62 -2.425 0.768 12.419 419 2HG2 ILE 62 2HG2 ILE 62 -2.712 -0.498 11.201 420 3HG2 ILE 62 3HG2 ILE 62 -1.185 0.417 11.191 421 1HD1 ILE 62 1HD1 ILE 62 -0.505 2.235 11.766 422 2HD1 ILE 62 2HD1 ILE 62 -0.833 3.984 11.740 423 3HD1 ILE 62 3HD1 ILE 62 -1.948 2.882 12.582 424 H HIS 63 H HIS 63 -1.994 -1.407 9.205 425 HA HIS 63 HA HIS 63 -2.696 -3.484 9.168 426 1HB HIS 63 1HB HIS 63 -5.413 -2.515 10.078 427 2HB HIS 63 2HB HIS 63 -4.696 -4.094 10.331 428 HD1 HIS 63 HD1 HIS 63 -2.000 -3.512 11.545 429 HD2 HIS 63 HD2 HIS 63 -5.427 -1.294 12.512 430 HE1 HIS 63 HE1 HIS 63 -1.547 -2.452 13.821 431 H ASP 64 H ASP 64 -2.559 -2.393 6.705 432 HA ASP 64 HA ASP 64 -5.008 -3.362 5.453 433 1HB ASP 64 1HB ASP 64 -3.333 -0.930 4.966 434 2HB ASP 64 2HB ASP 64 -3.867 -1.769 3.523 435 H ARG 65 H ARG 65 -4.678 -4.933 3.810 436 HA ARG 65 HA ARG 65 -1.950 -5.804 3.529 437 1HB ARG 65 1HB ARG 65 -4.119 -7.284 3.978 438 2HB ARG 65 2HB ARG 65 -4.332 -7.176 2.242 439 1HG ARG 65 1HG ARG 65 -1.895 -7.983 2.011 440 2HG ARG 65 2HG ARG 65 -1.928 -8.318 3.731 441 1HD ARG 65 1HD ARG 65 -3.562 -10.030 3.504 442 2HD ARG 65 2HD ARG 65 -4.123 -9.429 1.957 443 HE ARG 65 HE ARG 65 -1.390 -10.138 1.633 444 1HH1 ARG 65 1HH1 ARG 65 -4.461 -11.714 2.320 445 2HH1 ARG 65 2HH1 ARG 65 -3.992 -13.221 1.607 446 1HH2 ARG 65 1HH2 ARG 65 -0.772 -12.127 0.693 447 2HH2 ARG 65 2HH2 ARG 65 -1.880 -13.458 0.676 448 H ILE 66 H ILE 66 -0.796 -4.836 1.879 449 HA ILE 66 HA ILE 66 -2.035 -3.546 -0.282 450 HB ILE 66 HB ILE 66 0.815 -4.495 -0.247 451 1HG1 ILE 66 1HG1 ILE 66 -0.501 -2.498 1.557 452 2HG1 ILE 66 2HG1 ILE 66 0.752 -3.671 1.912 453 1HG2 ILE 66 1HG2 ILE 66 -0.178 -1.800 -1.124 454 2HG2 ILE 66 2HG2 ILE 66 1.263 -2.709 -1.641 455 3HG2 ILE 66 3HG2 ILE 66 -0.353 -3.213 -2.192 456 1HD1 ILE 66 1HD1 ILE 66 1.014 -1.013 0.470 457 2HD1 ILE 66 2HD1 ILE 66 1.912 -1.604 1.888 458 3HD1 ILE 66 3HD1 ILE 66 2.247 -2.283 0.277 459 H ILE 67 H ILE 67 -2.517 -4.191 -2.365 460 HA ILE 67 HA ILE 67 -2.254 -7.072 -2.823 461 HB ILE 67 HB ILE 67 -4.046 -5.217 -4.356 462 1HG1 ILE 67 1HG1 ILE 67 -4.435 -4.852 -1.917 463 2HG1 ILE 67 2HG1 ILE 67 -5.817 -5.496 -2.782 464 1HG2 ILE 67 1HG2 ILE 67 -5.362 -7.561 -4.107 465 2HG2 ILE 67 2HG2 ILE 67 -4.239 -7.187 -5.436 466 3HG2 ILE 67 3HG2 ILE 67 -3.680 -8.138 -4.040 467 1HD1 ILE 67 1HD1 ILE 67 -3.839 -7.223 -1.225 468 2HD1 ILE 67 2HD1 ILE 67 -5.390 -6.638 -0.575 469 3HD1 ILE 67 3HD1 ILE 67 -5.370 -7.756 -1.960 470 H GLU 68 H GLU 68 -1.975 -3.855 -4.479 471 HA GLU 68 HA GLU 68 0.254 -4.972 -5.935 472 1HB GLU 68 1HB GLU 68 -2.308 -4.679 -7.126 473 2HB GLU 68 2HB GLU 68 -1.355 -3.343 -7.741 474 1HG GLU 68 1HG GLU 68 -0.505 -4.836 -9.236 475 2HG GLU 68 2HG GLU 68 0.455 -5.446 -7.903 476 H VAL 69 H VAL 69 1.649 -3.266 -6.910 477 HA VAL 69 HA VAL 69 1.062 -0.574 -5.956 478 HB VAL 69 HB VAL 69 2.606 -2.176 -4.441 479 1HG1 VAL 69 1HG1 VAL 69 4.524 -0.814 -6.363 480 2HG1 VAL 69 2HG1 VAL 69 4.982 -1.616 -4.841 481 3HG1 VAL 69 3HG1 VAL 69 4.279 -2.566 -6.172 482 1HG2 VAL 69 1HG2 VAL 69 2.143 0.652 -4.741 483 2HG2 VAL 69 2HG2 VAL 69 2.485 -0.285 -3.266 484 3HG2 VAL 69 3HG2 VAL 69 3.827 0.372 -4.234 485 H ASN 70 H ASN 70 1.178 0.717 -7.711 486 HA ASN 70 HA ASN 70 1.745 1.516 -9.645 487 1HB ASN 70 1HB ASN 70 4.076 1.436 -8.334 488 2HB ASN 70 2HB ASN 70 4.485 0.210 -9.517 489 1HD2 ASN 70 1HD2 ASN 70 4.696 3.383 -8.831 490 2HD2 ASN 70 2HD2 ASN 70 4.831 4.079 -10.411 491 H GLY 71 H GLY 71 0.886 -1.456 -9.286 492 1HA GLY 71 1HA GLY 71 0.141 -2.818 -11.038 493 2HA GLY 71 2HA GLY 71 1.467 -2.272 -12.046 494 H ARG 72 H ARG 72 2.823 -2.712 -9.015 495 HA ARG 72 HA ARG 72 3.864 -5.253 -9.861 496 1HB ARG 72 1HB ARG 72 4.937 -2.994 -8.525 497 2HB ARG 72 2HB ARG 72 4.883 -4.239 -7.293 498 1HG ARG 72 1HG ARG 72 5.862 -5.658 -9.468 499 2HG ARG 72 2HG ARG 72 6.561 -4.075 -9.743 500 1HD ARG 72 1HD ARG 72 8.187 -5.023 -8.350 501 2HD ARG 72 2HD ARG 72 7.192 -4.202 -7.163 502 HE ARG 72 HE ARG 72 6.660 -6.287 -6.274 503 1HH1 ARG 72 1HH1 ARG 72 7.515 -6.712 -9.661 504 2HH1 ARG 72 2HH1 ARG 72 7.361 -8.437 -9.616 505 1HH2 ARG 72 1HH2 ARG 72 6.456 -8.562 -6.214 506 2HH2 ARG 72 2HH2 ARG 72 6.755 -9.496 -7.641 507 H ASP 73 H ASP 73 3.206 -7.195 -8.967 508 HA ASP 73 HA ASP 73 1.162 -7.136 -7.028 509 1HB ASP 73 1HB ASP 73 2.691 -9.243 -8.547 510 2HB ASP 73 2HB ASP 73 1.823 -9.757 -7.115 511 H LEU 74 H LEU 74 1.489 -7.095 -4.798 512 HA LEU 74 HA LEU 74 4.096 -8.047 -3.831 513 1HB LEU 74 1HB LEU 74 2.389 -5.951 -2.503 514 2HB LEU 74 2HB LEU 74 4.046 -6.390 -2.140 515 HG LEU 74 HG LEU 74 3.031 -4.912 -4.577 516 1HD1 LEU 74 1HD1 LEU 74 4.654 -4.147 -2.159 517 2HD1 LEU 74 2HD1 LEU 74 4.764 -3.225 -3.677 518 3HD1 LEU 74 3HD1 LEU 74 3.202 -3.374 -2.837 519 1HD2 LEU 74 1HD2 LEU 74 5.485 -6.487 -4.217 520 2HD2 LEU 74 2HD2 LEU 74 4.700 -5.892 -5.700 521 3HD2 LEU 74 3HD2 LEU 74 5.761 -4.814 -4.761 522 H SER 75 H SER 75 0.800 -8.715 -4.064 523 HA SER 75 HA SER 75 0.073 -9.451 -1.547 524 1HB SER 75 1HB SER 75 -1.574 -9.492 -3.272 525 2HB SER 75 2HB SER 75 -0.618 -10.553 -4.288 526 HG SER 75 HG SER 75 -1.434 -11.492 -1.708 527 H ARG 76 H ARG 76 2.154 -11.123 -3.937 528 HA ARG 76 HA ARG 76 2.508 -13.236 -1.967 529 1HB ARG 76 1HB ARG 76 3.250 -14.671 -3.852 530 2HB ARG 76 2HB ARG 76 1.652 -14.025 -4.169 531 1HG ARG 76 1HG ARG 76 2.374 -12.714 -5.922 532 2HG ARG 76 2HG ARG 76 3.888 -12.309 -5.138 533 1HD ARG 76 1HD ARG 76 4.658 -14.717 -5.614 534 2HD ARG 76 2HD ARG 76 3.218 -14.908 -6.595 535 HE ARG 76 HE ARG 76 4.494 -12.526 -7.463 536 1HH1 ARG 76 1HH1 ARG 76 5.152 -15.981 -7.388 537 2HH1 ARG 76 2HH1 ARG 76 6.164 -15.949 -8.794 538 1HH2 ARG 76 1HH2 ARG 76 5.828 -12.482 -9.317 539 2HH2 ARG 76 2HH2 ARG 76 6.551 -13.944 -9.898 540 H ALA 77 H ALA 77 3.808 -10.462 -2.217 541 HA ALA 77 HA ALA 77 6.572 -11.299 -2.722 542 1HB ALA 77 1HB ALA 77 5.599 -9.350 -3.995 543 2HB ALA 77 2HB ALA 77 5.425 -8.495 -2.444 544 3HB ALA 77 3HB ALA 77 7.042 -8.948 -3.034 545 H THR 78 H THR 78 8.158 -9.931 -1.200 546 HA THR 78 HA THR 78 7.126 -10.292 1.536 547 HB THR 78 HB THR 78 9.240 -11.184 2.102 548 HG1 THR 78 HG1 THR 78 10.190 -10.006 -0.408 549 1HG2 THR 78 1HG2 THR 78 8.996 -11.754 -0.899 550 2HG2 THR 78 2HG2 THR 78 10.067 -12.630 0.220 551 3HG2 THR 78 3HG2 THR 78 8.300 -12.745 0.405 552 H HIS 79 H HIS 79 8.532 -8.936 3.167 553 HA HIS 79 HA HIS 79 7.880 -6.301 2.711 554 1HB HIS 79 1HB HIS 79 8.173 -7.176 4.930 555 2HB HIS 79 2HB HIS 79 9.851 -7.575 4.620 556 HD1 HIS 79 HD1 HIS 79 11.568 -5.546 4.476 557 HD2 HIS 79 HD2 HIS 79 7.685 -4.531 5.692 558 HE1 HIS 79 HE1 HIS 79 11.723 -3.206 5.480 559 H ASP 80 H ASP 80 10.919 -8.111 2.086 560 HA ASP 80 HA ASP 80 12.515 -5.936 1.569 561 1HB ASP 80 1HB ASP 80 12.596 -8.808 1.230 562 2HB ASP 80 2HB ASP 80 13.186 -8.074 -0.248 563 H GLN 81 H GLN 81 10.553 -8.055 -0.654 564 HA GLN 81 HA GLN 81 11.185 -6.642 -2.959 565 1HB GLN 81 1HB GLN 81 8.818 -8.432 -2.266 566 2HB GLN 81 2HB GLN 81 9.110 -7.816 -3.880 567 1HG GLN 81 1HG GLN 81 11.609 -8.856 -3.137 568 2HG GLN 81 2HG GLN 81 10.480 -9.994 -2.430 569 1HE2 GLN 81 1HE2 GLN 81 10.110 -11.652 -3.669 570 2HE2 GLN 81 2HE2 GLN 81 9.961 -11.670 -5.395 571 H ALA 82 H ALA 82 8.344 -6.468 -0.714 572 HA ALA 82 HA ALA 82 6.831 -4.637 -2.067 573 1HB ALA 82 1HB ALA 82 5.907 -4.086 0.160 574 2HB ALA 82 2HB ALA 82 6.143 -5.840 -0.027 575 3HB ALA 82 3HB ALA 82 7.297 -4.885 0.933 576 H VAL 83 H VAL 83 9.489 -4.005 0.326 577 HA VAL 83 HA VAL 83 9.359 -1.248 0.234 578 HB VAL 83 HB VAL 83 11.531 -3.245 0.800 579 1HG1 VAL 83 1HG1 VAL 83 12.620 -1.250 -0.186 580 2HG1 VAL 83 2HG1 VAL 83 11.823 -0.230 1.036 581 3HG1 VAL 83 3HG1 VAL 83 13.011 -1.457 1.538 582 1HG2 VAL 83 1HG2 VAL 83 9.524 -1.720 2.328 583 2HG2 VAL 83 2HG2 VAL 83 10.345 -3.251 2.715 584 3HG2 VAL 83 3HG2 VAL 83 11.156 -1.700 3.038 585 H GLU 84 H GLU 84 11.496 -3.480 -1.685 586 HA GLU 84 HA GLU 84 12.703 -1.570 -3.184 587 1HB GLU 84 1HB GLU 84 13.489 -3.828 -3.301 588 2HB GLU 84 2HB GLU 84 11.926 -4.439 -3.805 589 1HG GLU 84 1HG GLU 84 12.195 -3.736 -6.012 590 2HG GLU 84 2HG GLU 84 13.199 -2.368 -5.573 591 H ALA 85 H ALA 85 9.511 -3.166 -3.697 592 HA ALA 85 HA ALA 85 8.977 -2.168 -6.223 593 1HB ALA 85 1HB ALA 85 6.971 -2.607 -3.980 594 2HB ALA 85 2HB ALA 85 6.692 -2.744 -5.733 595 3HB ALA 85 3HB ALA 85 7.723 -3.933 -4.900 596 H PHE 86 H PHE 86 8.024 -0.814 -2.982 597 HA PHE 86 HA PHE 86 6.946 1.531 -4.061 598 1HB PHE 86 1HB PHE 86 8.079 0.597 -1.376 599 2HB PHE 86 2HB PHE 86 7.510 2.245 -1.546 600 HD1 PHE 86 HD1 PHE 86 6.584 -1.048 -0.726 601 HD2 PHE 86 HD2 PHE 86 5.074 2.502 -2.494 602 HE1 PHE 86 HE1 PHE 86 4.240 -1.808 -0.250 603 HE2 PHE 86 HE2 PHE 86 2.729 1.741 -2.019 604 HZ PHE 86 HZ PHE 86 2.340 -0.405 -0.902 605 H LYS 87 H LYS 87 10.253 0.511 -3.375 606 HA LYS 87 HA LYS 87 11.287 3.175 -3.241 607 1HB LYS 87 1HB LYS 87 12.167 0.646 -2.491 608 2HB LYS 87 2HB LYS 87 13.195 1.042 -3.853 609 1HG LYS 87 1HG LYS 87 13.253 3.441 -2.548 610 2HG LYS 87 2HG LYS 87 12.984 2.381 -1.179 611 1HD LYS 87 1HD LYS 87 14.955 0.991 -2.518 612 2HD LYS 87 2HD LYS 87 15.383 2.638 -2.934 613 1HE LYS 87 1HE LYS 87 16.226 3.002 -0.858 614 2HE LYS 87 2HE LYS 87 14.707 2.545 -0.114 615 1HZ LYS 87 1HZ LYS 87 16.706 0.606 -1.048 616 2HZ LYS 87 2HZ LYS 87 16.587 1.123 0.496 617 3HZ LYS 87 3HZ LYS 87 15.362 0.280 -0.180 618 H THR 88 H THR 88 10.994 0.568 -5.709 619 HA THR 88 HA THR 88 12.232 2.312 -7.687 620 HB THR 88 HB THR 88 12.023 0.218 -9.091 621 HG1 THR 88 HG1 THR 88 11.265 -1.650 -7.646 622 1HG2 THR 88 1HG2 THR 88 13.301 -1.354 -7.422 623 2HG2 THR 88 2HG2 THR 88 14.081 0.183 -7.868 624 3HG2 THR 88 3HG2 THR 88 13.242 0.030 -6.305 625 H ALA 89 H ALA 89 9.223 2.064 -6.287 626 HA ALA 89 HA ALA 89 7.594 2.094 -8.606 627 1HB ALA 89 1HB ALA 89 6.611 1.414 -6.545 628 2HB ALA 89 2HB ALA 89 7.206 2.860 -5.695 629 3HB ALA 89 3HB ALA 89 5.907 3.009 -6.903 630 H LYS 90 H LYS 90 6.539 3.898 -9.609 631 HA LYS 90 HA LYS 90 7.933 6.436 -9.105 632 1HB LYS 90 1HB LYS 90 7.254 4.987 -11.618 633 2HB LYS 90 2HB LYS 90 7.068 6.729 -11.638 634 1HG LYS 90 1HG LYS 90 9.602 5.328 -10.668 635 2HG LYS 90 2HG LYS 90 9.379 5.875 -12.318 636 1HD LYS 90 1HD LYS 90 8.909 8.215 -11.371 637 2HD LYS 90 2HD LYS 90 9.403 7.606 -9.804 638 1HE LYS 90 1HE LYS 90 11.649 7.334 -10.456 639 2HE LYS 90 2HE LYS 90 11.250 7.158 -12.153 640 1HZ LYS 90 1HZ LYS 90 11.417 9.328 -12.429 641 2HZ LYS 90 2HZ LYS 90 10.462 9.681 -11.152 642 3HZ LYS 90 3HZ LYS 90 12.061 9.432 -10.932 643 H GLU 91 H GLU 91 6.655 8.395 -9.298 644 HA GLU 91 HA GLU 91 3.951 7.877 -8.450 645 1HB GLU 91 1HB GLU 91 5.317 10.587 -8.644 646 2HB GLU 91 2HB GLU 91 3.940 10.149 -7.652 647 1HG GLU 91 1HG GLU 91 5.464 9.830 -5.985 648 2HG GLU 91 2HG GLU 91 5.823 8.314 -6.787 649 HA PRO 92 HA PRO 92 2.245 8.892 -8.302 650 1HB PRO 92 1HB PRO 92 -0.293 8.232 -9.071 651 2HB PRO 92 2HB PRO 92 0.220 9.881 -8.775 652 1HG PRO 92 1HG PRO 92 -0.266 8.527 -11.357 653 2HG PRO 92 2HG PRO 92 -0.174 10.243 -11.019 654 1HD PRO 92 1HD PRO 92 1.850 8.626 -12.250 655 2HD PRO 92 2HD PRO 92 1.985 10.315 -11.806 656 H ILE 93 H ILE 93 1.999 7.154 -6.932 657 HA ILE 93 HA ILE 93 2.509 4.643 -8.322 658 HB ILE 93 HB ILE 93 2.714 5.381 -5.400 659 1HG1 ILE 93 1HG1 ILE 93 5.052 4.832 -7.208 660 2HG1 ILE 93 2HG1 ILE 93 4.318 6.423 -7.201 661 1HG2 ILE 93 1HG2 ILE 93 4.260 3.147 -5.799 662 2HG2 ILE 93 2HG2 ILE 93 2.626 3.168 -5.093 663 3HG2 ILE 93 3HG2 ILE 93 2.842 2.820 -6.825 664 1HD1 ILE 93 1HD1 ILE 93 6.281 5.721 -5.476 665 2HD1 ILE 93 2HD1 ILE 93 5.017 6.900 -5.049 666 3HD1 ILE 93 3HD1 ILE 93 4.873 5.208 -4.516 667 H VAL 94 H VAL 94 0.762 3.473 -8.899 668 HA VAL 94 HA VAL 94 -1.713 3.861 -7.463 669 HB VAL 94 HB VAL 94 -1.015 2.090 -9.813 670 1HG1 VAL 94 1HG1 VAL 94 -3.690 2.975 -8.682 671 2HG1 VAL 94 2HG1 VAL 94 -3.469 2.132 -10.234 672 3HG1 VAL 94 3HG1 VAL 94 -3.031 1.322 -8.710 673 1HG2 VAL 94 1HG2 VAL 94 -2.478 4.088 -10.888 674 2HG2 VAL 94 2HG2 VAL 94 -1.657 4.985 -9.588 675 3HG2 VAL 94 3HG2 VAL 94 -0.700 4.109 -10.807 676 H VAL 95 H VAL 95 -1.998 2.821 -5.557 677 HA VAL 95 HA VAL 95 -0.971 0.070 -5.408 678 HB VAL 95 HB VAL 95 -1.496 1.576 -2.919 679 1HG1 VAL 95 1HG1 VAL 95 -0.599 -0.537 -2.552 680 2HG1 VAL 95 2HG1 VAL 95 0.500 -0.430 -3.947 681 3HG1 VAL 95 3HG1 VAL 95 0.843 0.502 -2.470 682 1HG2 VAL 95 1HG2 VAL 95 0.755 2.326 -4.806 683 2HG2 VAL 95 2HG2 VAL 95 -0.488 3.389 -4.103 684 3HG2 VAL 95 3HG2 VAL 95 0.772 2.683 -3.063 685 H GLN 96 H GLN 96 -2.317 -1.481 -4.274 686 HA GLN 96 HA GLN 96 -5.059 -0.554 -3.959 687 1HB GLN 96 1HB GLN 96 -5.126 -1.685 -6.057 688 2HB GLN 96 2HB GLN 96 -4.051 -2.957 -5.512 689 1HG GLN 96 1HG GLN 96 -5.777 -4.184 -4.682 690 2HG GLN 96 2HG GLN 96 -6.415 -2.816 -3.792 691 1HE2 GLN 96 1HE2 GLN 96 -8.347 -2.180 -4.334 692 2HE2 GLN 96 2HE2 GLN 96 -9.117 -2.338 -5.878 693 H VAL 97 H VAL 97 -6.065 -1.251 -2.082 694 HA VAL 97 HA VAL 97 -4.652 -3.336 -0.570 695 HB VAL 97 HB VAL 97 -5.367 -2.059 1.469 696 1HG1 VAL 97 1HG1 VAL 97 -3.593 -0.119 0.868 697 2HG1 VAL 97 2HG1 VAL 97 -3.122 -1.801 1.211 698 3HG1 VAL 97 3HG1 VAL 97 -3.265 -1.243 -0.473 699 1HG2 VAL 97 1HG2 VAL 97 -5.690 0.311 -0.383 700 2HG2 VAL 97 2HG2 VAL 97 -7.073 -0.671 0.157 701 3HG2 VAL 97 3HG2 VAL 97 -6.074 0.191 1.351 702 H LEU 98 H LEU 98 -6.146 -4.352 1.137 703 HA LEU 98 HA LEU 98 -8.827 -4.572 -0.045 704 1HB LEU 98 1HB LEU 98 -6.938 -6.588 1.095 705 2HB LEU 98 2HB LEU 98 -8.663 -6.859 1.247 706 HG LEU 98 HG LEU 98 -7.294 -6.339 -1.402 707 1HD1 LEU 98 1HD1 LEU 98 -7.308 -8.725 -1.804 708 2HD1 LEU 98 2HD1 LEU 98 -6.377 -8.368 -0.330 709 3HD1 LEU 98 3HD1 LEU 98 -8.027 -9.024 -0.204 710 1HD2 LEU 98 1HD2 LEU 98 -9.628 -7.869 -1.727 711 2HD2 LEU 98 2HD2 LEU 98 -10.050 -6.576 -0.578 712 3HD2 LEU 98 3HD2 LEU 98 -9.369 -6.165 -2.170 713 H ARG 99 H ARG 99 -10.401 -3.660 1.151 714 HA ARG 99 HA ARG 99 -9.803 -3.227 3.946 715 1HB ARG 99 1HB ARG 99 -12.054 -2.119 2.190 716 2HB ARG 99 2HB ARG 99 -11.772 -1.659 3.857 717 1HG ARG 99 1HG ARG 99 -9.875 -1.217 1.505 718 2HG ARG 99 2HG ARG 99 -10.768 0.018 2.370 719 1HD ARG 99 1HD ARG 99 -9.363 -1.342 4.405 720 2HD ARG 99 2HD ARG 99 -8.219 -1.276 3.079 721 HE ARG 99 HE ARG 99 -8.964 0.927 4.720 722 1HH1 ARG 99 1HH1 ARG 99 -8.510 0.194 1.309 723 2HH1 ARG 99 2HH1 ARG 99 -8.084 1.819 0.885 724 1HH2 ARG 99 1HH2 ARG 99 -8.401 3.070 4.162 725 2HH2 ARG 99 2HH2 ARG 99 -8.021 3.466 2.519 726 H ARG 100 H ARG 100 -10.438 -4.958 5.220 727 HA ARG 100 HA ARG 100 -12.049 -6.948 4.640 728 1HB ARG 100 1HB ARG 100 -12.638 -6.995 7.170 729 2HB ARG 100 2HB ARG 100 -10.936 -7.001 6.753 730 1HG ARG 100 1HG ARG 100 -10.975 -5.322 8.379 731 2HG ARG 100 2HG ARG 100 -11.151 -4.365 6.921 732 1HD ARG 100 1HD ARG 100 -13.789 -5.222 7.722 733 2HD ARG 100 2HD ARG 100 -12.984 -4.590 9.144 734 HE ARG 100 HE ARG 100 -12.554 -2.845 6.873 735 1HH1 ARG 100 1HH1 ARG 100 -14.959 -3.752 9.277 736 2HH1 ARG 100 2HH1 ARG 100 -15.781 -2.229 9.214 737 1HH2 ARG 100 1HH2 ARG 100 -13.639 -0.836 6.790 738 2HH2 ARG 100 2HH2 ARG 100 -15.026 -0.559 7.791 739 H THR 101 H THR 101 -14.327 -7.505 4.913 740 HA THR 101 HA THR 101 -16.165 -5.806 3.937 741 HB THR 101 HB THR 101 -16.578 -8.197 4.276 742 HG1 THR 101 HG1 THR 101 -18.240 -6.633 6.114 743 1HG2 THR 101 1HG2 THR 101 -15.689 -8.962 6.300 744 2HG2 THR 101 2HG2 THR 101 -16.096 -7.458 7.160 745 3HG2 THR 101 3HG2 THR 101 -17.362 -8.664 6.827 746 H SER 102 H SER 102 -17.367 -4.078 4.517 747 HA SER 102 HA SER 102 -16.599 -2.769 6.895 748 1HB SER 102 1HB SER 102 -18.100 -0.988 6.147 749 2HB SER 102 2HB SER 102 -17.166 -1.572 4.783 750 HG SER 102 HG SER 102 -18.961 -2.226 3.808 751 H GLY 103 H GLY 103 -18.402 -1.819 8.413 752 1HA GLY 103 1HA GLY 103 -20.866 -3.143 8.704 753 2HA GLY 103 2HA GLY 103 -19.682 -3.935 9.724 754 HA PRO 104 HA PRO 104 -21.228 -0.280 11.971 755 1HB PRO 104 1HB PRO 104 -22.280 -1.563 14.143 756 2HB PRO 104 2HB PRO 104 -23.238 -1.087 12.755 757 1HG PRO 104 1HG PRO 104 -22.290 -3.781 13.517 758 2HG PRO 104 2HG PRO 104 -23.572 -3.342 12.406 759 1HD PRO 104 1HD PRO 104 -20.936 -4.238 11.717 760 2HD PRO 104 2HD PRO 104 -22.179 -3.688 10.610 761 H SER 105 H SER 105 -20.666 0.582 14.191 762 HA SER 105 HA SER 105 -18.729 -0.829 15.610 763 1HB SER 105 1HB SER 105 -17.711 0.461 13.286 764 2HB SER 105 2HB SER 105 -17.228 1.471 14.634 765 HG SER 105 HG SER 105 -16.226 -0.351 15.634 766 H SER 106 H SER 106 -18.496 0.136 17.654 767 HA SER 106 HA SER 106 -19.666 2.801 17.863 768 1HB SER 106 1HB SER 106 -20.886 0.682 18.884 769 2HB SER 106 2HB SER 106 -19.686 0.823 20.153 770 HG SER 106 HG SER 106 -20.619 3.307 19.774 771 H GLY 107 H GLY 107 -18.824 4.075 19.808 772 1HA GLY 107 1HA GLY 107 -17.189 4.628 21.321 773 2HA GLY 107 2HA GLY 107 -16.270 3.201 20.883 Start of MODEL 13 1 1H GLY 1 1H GLY 1 -15.591 -24.231 -8.872 2 1HA GLY 1 1HA GLY 1 -15.205 -23.770 -6.365 3 2HA GLY 1 2HA GLY 1 -14.363 -22.780 -7.540 4 H SER 2 H SER 2 -14.768 -21.712 -5.031 5 HA SER 2 HA SER 2 -16.181 -19.390 -5.671 6 1HB SER 2 1HB SER 2 -18.002 -21.193 -4.965 7 2HB SER 2 2HB SER 2 -17.463 -20.823 -3.339 8 HG SER 2 HG SER 2 -17.804 -18.458 -4.603 9 H SER 3 H SER 3 -14.774 -17.930 -4.776 10 HA SER 3 HA SER 3 -12.993 -18.657 -2.775 11 1HB SER 3 1HB SER 3 -13.815 -16.058 -4.073 12 2HB SER 3 2HB SER 3 -12.788 -16.000 -2.654 13 HG SER 3 HG SER 3 -12.073 -17.804 -4.752 14 H GLY 4 H GLY 4 -12.827 -17.804 -0.541 15 1HA GLY 4 1HA GLY 4 -15.490 -17.506 0.669 16 2HA GLY 4 2HA GLY 4 -14.023 -18.035 1.468 17 H SER 5 H SER 5 -15.973 -15.787 2.094 18 HA SER 5 HA SER 5 -15.997 -13.670 2.631 19 1HB SER 5 1HB SER 5 -14.333 -14.716 4.263 20 2HB SER 5 2HB SER 5 -13.043 -14.061 3.274 21 HG SER 5 HG SER 5 -13.631 -12.672 5.091 22 H SER 6 H SER 6 -16.308 -12.942 0.372 23 HA SER 6 HA SER 6 -13.958 -12.117 -1.033 24 1HB SER 6 1HB SER 6 -16.763 -12.618 -1.648 25 2HB SER 6 2HB SER 6 -16.281 -11.061 -2.294 26 HG SER 6 HG SER 6 -14.872 -12.001 -3.674 27 H GLY 7 H GLY 7 -13.057 -10.478 0.360 28 1HA GLY 7 1HA GLY 7 -14.529 -8.340 1.438 29 2HA GLY 7 2HA GLY 7 -12.795 -8.409 1.198 30 H LYS 8 H LYS 8 -12.598 -6.236 0.467 31 HA LYS 8 HA LYS 8 -13.533 -5.880 -2.276 32 1HB LYS 8 1HB LYS 8 -14.351 -4.292 0.083 33 2HB LYS 8 2HB LYS 8 -13.816 -3.349 -1.293 34 1HG LYS 8 1HG LYS 8 -15.835 -3.692 -2.262 35 2HG LYS 8 2HG LYS 8 -15.446 -5.395 -2.399 36 1HD LYS 8 1HD LYS 8 -16.590 -5.962 -0.411 37 2HD LYS 8 2HD LYS 8 -16.463 -4.344 0.249 38 1HE LYS 8 1HE LYS 8 -17.944 -3.786 -1.974 39 2HE LYS 8 2HE LYS 8 -18.446 -5.445 -1.718 40 1HZ LYS 8 1HZ LYS 8 -18.839 -4.755 0.644 41 2HZ LYS 8 2HZ LYS 8 -18.672 -3.205 0.155 42 3HZ LYS 8 3HZ LYS 8 -19.869 -4.130 -0.459 43 H SER 9 H SER 9 -12.183 -4.460 -3.539 44 HA SER 9 HA SER 9 -9.628 -3.961 -2.221 45 1HB SER 9 1HB SER 9 -8.450 -4.671 -4.138 46 2HB SER 9 2HB SER 9 -9.746 -5.843 -4.008 47 HG SER 9 HG SER 9 -10.717 -5.059 -5.795 48 H LEU 10 H LEU 10 -9.151 -1.800 -2.106 49 HA LEU 10 HA LEU 10 -10.447 -0.060 -4.086 50 1HB LEU 10 1HB LEU 10 -9.407 0.868 -1.430 51 2HB LEU 10 2HB LEU 10 -10.590 1.620 -2.483 52 HG LEU 10 HG LEU 10 -10.986 -0.855 -0.784 53 1HD1 LEU 10 1HD1 LEU 10 -11.330 0.750 0.758 54 2HD1 LEU 10 2HD1 LEU 10 -11.610 2.017 -0.460 55 3HD1 LEU 10 3HD1 LEU 10 -12.918 0.886 -0.035 56 1HD2 LEU 10 1HD2 LEU 10 -12.259 -0.239 -3.219 57 2HD2 LEU 10 2HD2 LEU 10 -12.723 -1.468 -2.018 58 3HD2 LEU 10 3HD2 LEU 10 -13.421 0.167 -1.933 59 H THR 11 H THR 11 -9.193 1.703 -4.976 60 HA THR 11 HA THR 11 -6.331 1.043 -5.018 61 HB THR 11 HB THR 11 -7.794 2.860 -6.968 62 HG1 THR 11 HG1 THR 11 -9.009 0.841 -6.711 63 1HG2 THR 11 1HG2 THR 11 -6.224 1.703 -8.571 64 2HG2 THR 11 2HG2 THR 11 -5.351 2.584 -7.294 65 3HG2 THR 11 3HG2 THR 11 -5.523 0.815 -7.197 66 H LEU 12 H LEU 12 -4.738 2.535 -4.563 67 HA LEU 12 HA LEU 12 -5.624 5.206 -3.819 68 1HB LEU 12 1HB LEU 12 -3.770 4.408 -1.843 69 2HB LEU 12 2HB LEU 12 -5.437 4.913 -1.650 70 HG LEU 12 HG LEU 12 -5.843 2.337 -2.358 71 1HD1 LEU 12 1HD1 LEU 12 -3.047 2.452 -1.907 72 2HD1 LEU 12 2HD1 LEU 12 -3.768 1.570 -0.539 73 3HD1 LEU 12 3HD1 LEU 12 -4.065 1.023 -2.207 74 1HD2 LEU 12 1HD2 LEU 12 -5.971 3.910 0.010 75 2HD2 LEU 12 2HD2 LEU 12 -6.889 2.443 -0.408 76 3HD2 LEU 12 3HD2 LEU 12 -5.335 2.307 0.449 77 H VAL 13 H VAL 13 -4.112 6.790 -4.289 78 HA VAL 13 HA VAL 13 -1.735 5.793 -5.668 79 HB VAL 13 HB VAL 13 -3.626 7.516 -6.492 80 1HG1 VAL 13 1HG1 VAL 13 -1.461 9.257 -5.265 81 2HG1 VAL 13 2HG1 VAL 13 -2.726 9.820 -6.384 82 3HG1 VAL 13 3HG1 VAL 13 -3.173 9.189 -4.780 83 1HG2 VAL 13 1HG2 VAL 13 -1.733 6.497 -7.785 84 2HG2 VAL 13 2HG2 VAL 13 -2.111 8.175 -8.241 85 3HG2 VAL 13 3HG2 VAL 13 -0.696 7.828 -7.218 86 H LEU 14 H LEU 14 0.146 5.757 -4.563 87 HA LEU 14 HA LEU 14 0.398 7.650 -2.334 88 1HB LEU 14 1HB LEU 14 1.849 5.034 -2.746 89 2HB LEU 14 2HB LEU 14 1.939 6.080 -1.342 90 HG LEU 14 HG LEU 14 -0.456 4.474 -2.266 91 1HD1 LEU 14 1HD1 LEU 14 -0.157 3.175 -0.288 92 2HD1 LEU 14 2HD1 LEU 14 1.417 3.262 -1.116 93 3HD1 LEU 14 3HD1 LEU 14 1.108 4.271 0.317 94 1HD2 LEU 14 1HD2 LEU 14 -0.393 6.896 -0.717 95 2HD2 LEU 14 2HD2 LEU 14 -1.785 5.908 -1.222 96 3HD2 LEU 14 3HD2 LEU 14 -0.938 5.540 0.300 97 H HIS 15 H HIS 15 2.547 8.620 -1.989 98 HA HIS 15 HA HIS 15 4.129 8.672 -4.448 99 1HB HIS 15 1HB HIS 15 3.300 11.088 -2.815 100 2HB HIS 15 2HB HIS 15 4.429 11.109 -4.156 101 HD1 HIS 15 HD1 HIS 15 3.396 11.808 -6.311 102 HD2 HIS 15 HD2 HIS 15 0.629 9.915 -3.790 103 HE1 HIS 15 HE1 HIS 15 1.158 11.866 -7.535 104 H ARG 16 H ARG 16 6.372 8.760 -4.147 105 HA ARG 16 HA ARG 16 7.144 8.296 -1.402 106 1HB ARG 16 1HB ARG 16 9.290 7.455 -2.424 107 2HB ARG 16 2HB ARG 16 7.879 6.599 -3.014 108 1HG ARG 16 1HG ARG 16 8.430 7.160 -5.137 109 2HG ARG 16 2HG ARG 16 8.221 8.854 -4.741 110 1HD ARG 16 1HD ARG 16 10.550 9.087 -4.090 111 2HD ARG 16 2HD ARG 16 10.800 7.353 -4.108 112 HE ARG 16 HE ARG 16 9.946 7.962 -6.700 113 1HH1 ARG 16 1HH1 ARG 16 12.592 8.988 -4.619 114 2HH1 ARG 16 2HH1 ARG 16 13.671 9.311 -5.935 115 1HH2 ARG 16 1HH2 ARG 16 11.369 8.388 -8.437 116 2HH2 ARG 16 2HH2 ARG 16 12.971 8.968 -8.121 117 H ASP 17 H ASP 17 7.471 10.315 -0.423 118 HA ASP 17 HA ASP 17 8.673 12.415 -1.912 119 1HB ASP 17 1HB ASP 17 7.081 13.126 -0.298 120 2HB ASP 17 2HB ASP 17 7.696 12.037 0.930 121 H SER 18 H SER 18 10.897 12.245 -2.306 122 HA SER 18 HA SER 18 13.017 11.852 -2.020 123 1HB SER 18 1HB SER 18 12.760 13.768 -0.453 124 2HB SER 18 2HB SER 18 12.440 12.659 0.866 125 HG SER 18 HG SER 18 14.672 13.364 0.824 126 H GLY 19 H GLY 19 11.618 9.487 -2.048 127 1HA GLY 19 1HA GLY 19 11.918 7.300 -1.600 128 2HA GLY 19 2HA GLY 19 13.347 7.711 -0.673 129 H SER 20 H SER 20 9.915 8.771 -0.189 130 HA SER 20 HA SER 20 9.751 7.080 2.127 131 1HB SER 20 1HB SER 20 10.835 9.238 2.900 132 2HB SER 20 2HB SER 20 9.396 10.098 2.389 133 HG SER 20 HG SER 20 9.512 9.449 4.721 134 H LEU 21 H LEU 21 7.847 6.043 1.616 135 HA LEU 21 HA LEU 21 5.847 7.306 0.054 136 1HB LEU 21 1HB LEU 21 6.163 4.684 1.461 137 2HB LEU 21 2HB LEU 21 4.577 5.166 0.892 138 HG LEU 21 HG LEU 21 6.039 3.682 -0.618 139 1HD1 LEU 21 1HD1 LEU 21 4.401 6.050 -1.371 140 2HD1 LEU 21 2HD1 LEU 21 5.321 5.244 -2.664 141 3HD1 LEU 21 3HD1 LEU 21 4.146 4.319 -1.698 142 1HD2 LEU 21 1HD2 LEU 21 8.118 4.938 -0.420 143 2HD2 LEU 21 2HD2 LEU 21 7.580 4.864 -2.115 144 3HD2 LEU 21 3HD2 LEU 21 7.351 6.357 -1.172 145 H GLY 22 H GLY 22 6.522 6.958 3.519 146 1HA GLY 22 1HA GLY 22 5.627 8.526 5.039 147 2HA GLY 22 2HA GLY 22 4.182 8.662 4.057 148 H PHE 23 H PHE 23 5.704 5.506 4.738 149 HA PHE 23 HA PHE 23 4.162 4.923 7.023 150 1HB PHE 23 1HB PHE 23 2.426 3.596 6.010 151 2HB PHE 23 2HB PHE 23 2.508 5.000 4.964 152 HD1 PHE 23 HD1 PHE 23 1.761 1.852 4.629 153 HD2 PHE 23 HD2 PHE 23 4.900 4.403 3.343 154 HE1 PHE 23 HE1 PHE 23 2.168 0.356 2.655 155 HE2 PHE 23 HE2 PHE 23 5.307 2.907 1.369 156 HZ PHE 23 HZ PHE 23 3.936 0.901 1.049 157 H ASN 24 H ASN 24 3.917 2.157 6.839 158 HA ASN 24 HA ASN 24 6.444 1.214 5.820 159 1HB ASN 24 1HB ASN 24 5.984 1.773 8.620 160 2HB ASN 24 2HB ASN 24 6.049 0.031 8.440 161 1HD2 ASN 24 1HD2 ASN 24 7.983 -0.473 9.206 162 2HD2 ASN 24 2HD2 ASN 24 9.503 0.123 8.628 163 H ILE 25 H ILE 25 6.490 -1.303 6.003 164 HA ILE 25 HA ILE 25 3.772 -2.386 6.177 165 HB ILE 25 HB ILE 25 4.685 -3.911 4.231 166 1HG1 ILE 25 1HG1 ILE 25 5.977 -1.339 3.374 167 2HG1 ILE 25 2HG1 ILE 25 6.887 -2.471 4.355 168 1HG2 ILE 25 1HG2 ILE 25 2.629 -2.730 4.051 169 2HG2 ILE 25 2HG2 ILE 25 3.460 -1.159 3.951 170 3HG2 ILE 25 3HG2 ILE 25 3.593 -2.323 2.611 171 1HD1 ILE 25 1HD1 ILE 25 6.633 -4.242 2.726 172 2HD1 ILE 25 2HD1 ILE 25 5.427 -3.304 1.812 173 3HD1 ILE 25 3HD1 ILE 25 7.129 -2.783 1.835 174 H ILE 26 H ILE 26 3.803 -4.826 6.454 175 HA ILE 26 HA ILE 26 6.253 -5.642 7.848 176 HB ILE 26 HB ILE 26 5.074 -6.506 9.649 177 1HG1 ILE 26 1HG1 ILE 26 2.435 -6.032 8.238 178 2HG1 ILE 26 2HG1 ILE 26 3.280 -7.567 8.224 179 1HG2 ILE 26 1HG2 ILE 26 4.081 -4.638 10.647 180 2HG2 ILE 26 2HG2 ILE 26 5.197 -3.953 9.441 181 3HG2 ILE 26 3HG2 ILE 26 3.451 -4.025 9.100 182 1HD1 ILE 26 1HD1 ILE 26 2.471 -6.097 10.774 183 2HD1 ILE 26 2HD1 ILE 26 1.527 -7.407 10.026 184 3HD1 ILE 26 3HD1 ILE 26 3.157 -7.736 10.663 185 H GLY 27 H GLY 27 6.311 -8.123 8.108 186 1HA GLY 27 1HA GLY 27 5.345 -10.187 7.208 187 2HA GLY 27 2HA GLY 27 5.149 -9.354 5.679 188 H GLY 28 H GLY 28 6.472 -11.258 4.877 189 1HA GLY 28 1HA GLY 28 8.436 -11.728 3.807 190 2HA GLY 28 2HA GLY 28 9.248 -10.456 4.697 191 H ARG 29 H ARG 29 8.747 -11.119 7.376 192 HA ARG 29 HA ARG 29 10.358 -13.502 7.544 193 1HB ARG 29 1HB ARG 29 10.014 -11.043 9.126 194 2HB ARG 29 2HB ARG 29 9.965 -12.464 10.151 195 1HG ARG 29 1HG ARG 29 12.152 -13.147 9.544 196 2HG ARG 29 2HG ARG 29 12.134 -12.233 8.050 197 1HD ARG 29 1HD ARG 29 11.826 -10.588 10.525 198 2HD ARG 29 2HD ARG 29 13.375 -11.394 10.366 199 HE ARG 29 HE ARG 29 12.570 -10.092 7.886 200 1HH1 ARG 29 1HH1 ARG 29 14.051 -9.538 11.029 201 2HH1 ARG 29 2HH1 ARG 29 14.928 -8.138 10.511 202 1HH2 ARG 29 1HH2 ARG 29 13.727 -8.244 7.202 203 2HH2 ARG 29 2HH2 ARG 29 14.743 -7.396 8.320 204 HA PRO 30 HA PRO 30 7.148 -15.873 9.303 205 1HB PRO 30 1HB PRO 30 8.438 -17.491 11.088 206 2HB PRO 30 2HB PRO 30 8.434 -17.782 9.360 207 1HG PRO 30 1HG PRO 30 10.610 -16.720 11.057 208 2HG PRO 30 2HG PRO 30 10.709 -17.409 9.448 209 1HD PRO 30 1HD PRO 30 10.832 -14.627 10.134 210 2HD PRO 30 2HD PRO 30 10.814 -15.308 8.520 211 H SER 31 H SER 31 5.697 -14.480 10.226 212 HA SER 31 HA SER 31 5.987 -14.441 13.105 213 1HB SER 31 1HB SER 31 6.904 -12.275 12.128 214 2HB SER 31 2HB SER 31 5.301 -11.939 11.504 215 HG SER 31 HG SER 31 5.909 -10.999 13.680 216 H VAL 32 H VAL 32 3.886 -13.097 10.442 217 HA VAL 32 HA VAL 32 1.666 -14.620 11.591 218 HB VAL 32 HB VAL 32 0.199 -12.680 11.268 219 1HG1 VAL 32 1HG1 VAL 32 0.541 -12.240 13.426 220 2HG1 VAL 32 2HG1 VAL 32 2.107 -13.081 13.325 221 3HG1 VAL 32 3HG1 VAL 32 2.019 -11.326 13.041 222 1HG2 VAL 32 1HG2 VAL 32 1.476 -10.403 11.135 223 2HG2 VAL 32 2HG2 VAL 32 2.763 -11.375 10.382 224 3HG2 VAL 32 3HG2 VAL 32 1.145 -11.316 9.643 225 H ASP 33 H ASP 33 2.727 -15.928 9.683 226 HA ASP 33 HA ASP 33 1.179 -15.184 7.344 227 1HB ASP 33 1HB ASP 33 4.105 -15.373 7.564 228 2HB ASP 33 2HB ASP 33 3.490 -16.488 6.360 229 H ASN 34 H ASN 34 3.545 -17.693 8.557 230 HA ASN 34 HA ASN 34 3.413 -19.844 8.799 231 1HB ASN 34 1HB ASN 34 0.656 -18.976 9.277 232 2HB ASN 34 2HB ASN 34 0.656 -20.561 8.530 233 1HD2 ASN 34 1HD2 ASN 34 -0.259 -20.212 11.067 234 2HD2 ASN 34 2HD2 ASN 34 0.794 -20.957 12.223 235 H HIS 35 H HIS 35 2.853 -21.939 7.543 236 HA HIS 35 HA HIS 35 2.828 -21.318 4.741 237 1HB HIS 35 1HB HIS 35 3.349 -23.682 4.445 238 2HB HIS 35 2HB HIS 35 4.422 -22.930 5.609 239 HD1 HIS 35 HD1 HIS 35 1.926 -25.653 5.232 240 HD2 HIS 35 HD2 HIS 35 3.930 -23.706 8.360 241 HE1 HIS 35 HE1 HIS 35 1.630 -27.125 7.295 242 H ASP 36 H ASP 36 0.861 -20.815 3.873 243 HA ASP 36 HA ASP 36 -1.160 -22.849 4.134 244 1HB ASP 36 1HB ASP 36 -1.694 -21.172 5.904 245 2HB ASP 36 2HB ASP 36 -1.669 -19.891 4.708 246 H GLY 37 H GLY 37 -2.325 -23.040 2.154 247 1HA GLY 37 1HA GLY 37 -2.612 -22.812 -0.074 248 2HA GLY 37 2HA GLY 37 -2.987 -21.149 0.332 249 H SER 38 H SER 38 -2.090 -20.444 -1.725 250 HA SER 38 HA SER 38 0.795 -20.766 -1.887 251 1HB SER 38 1HB SER 38 -1.370 -20.690 -3.848 252 2HB SER 38 2HB SER 38 -0.159 -19.482 -4.231 253 HG SER 38 HG SER 38 1.351 -21.505 -3.682 254 H SER 39 H SER 39 0.876 -19.121 -0.040 255 HA SER 39 HA SER 39 0.767 -16.459 -1.215 256 1HB SER 39 1HB SER 39 -1.133 -16.863 0.409 257 2HB SER 39 2HB SER 39 0.052 -17.133 1.672 258 HG SER 39 HG SER 39 -0.034 -15.015 1.957 259 H SER 40 H SER 40 2.070 -18.603 1.399 260 HA SER 40 HA SER 40 4.051 -18.785 2.269 261 1HB SER 40 1HB SER 40 4.618 -17.844 -0.357 262 2HB SER 40 2HB SER 40 5.654 -16.917 0.710 263 HG SER 40 HG SER 40 6.882 -18.643 0.974 264 H GLU 41 H GLU 41 4.476 -15.401 1.032 265 HA GLU 41 HA GLU 41 4.433 -14.557 3.825 266 1HB GLU 41 1HB GLU 41 6.114 -13.452 1.532 267 2HB GLU 41 2HB GLU 41 6.056 -12.763 3.142 268 1HG GLU 41 1HG GLU 41 7.794 -14.158 3.621 269 2HG GLU 41 2HG GLU 41 6.586 -15.424 3.710 270 H GLY 42 H GLY 42 3.469 -12.469 4.289 271 1HA GLY 42 1HA GLY 42 1.800 -11.426 2.078 272 2HA GLY 42 2HA GLY 42 1.196 -11.659 3.706 273 H ILE 43 H ILE 43 1.422 -9.145 2.093 274 HA ILE 43 HA ILE 43 3.298 -7.690 3.823 275 HB ILE 43 HB ILE 43 2.268 -6.954 1.080 276 1HG1 ILE 43 1HG1 ILE 43 3.734 -8.739 0.706 277 2HG1 ILE 43 2HG1 ILE 43 4.720 -7.310 0.468 278 1HG2 ILE 43 1HG2 ILE 43 2.692 -4.907 2.034 279 2HG2 ILE 43 2HG2 ILE 43 3.974 -5.538 3.095 280 3HG2 ILE 43 3HG2 ILE 43 4.289 -5.306 1.359 281 1HD1 ILE 43 1HD1 ILE 43 6.117 -8.560 1.855 282 2HD1 ILE 43 2HD1 ILE 43 5.235 -7.606 3.071 283 3HD1 ILE 43 3HD1 ILE 43 4.756 -9.288 2.743 284 H PHE 44 H PHE 44 2.476 -6.238 5.251 285 HA PHE 44 HA PHE 44 -0.211 -5.230 4.750 286 1HB PHE 44 1HB PHE 44 0.868 -6.691 7.230 287 2HB PHE 44 2HB PHE 44 -0.598 -5.733 7.283 288 HD1 PHE 44 HD1 PHE 44 -2.653 -6.576 6.414 289 HD2 PHE 44 HD2 PHE 44 0.943 -8.756 5.843 290 HE1 PHE 44 HE1 PHE 44 -3.980 -8.567 5.655 291 HE2 PHE 44 HE2 PHE 44 -0.384 -10.746 5.084 292 HZ PHE 44 HZ PHE 44 -2.830 -10.628 4.999 293 H VAL 45 H VAL 45 -0.718 -3.277 6.008 294 HA VAL 45 HA VAL 45 1.713 -1.778 6.535 295 HB VAL 45 HB VAL 45 -1.182 -0.911 6.405 296 1HG1 VAL 45 1HG1 VAL 45 -0.242 0.865 7.488 297 2HG1 VAL 45 2HG1 VAL 45 1.392 0.523 6.872 298 3HG1 VAL 45 3HG1 VAL 45 0.192 1.314 5.822 299 1HG2 VAL 45 1HG2 VAL 45 0.984 -0.785 4.279 300 2HG2 VAL 45 2HG2 VAL 45 -0.438 -1.854 4.267 301 3HG2 VAL 45 3HG2 VAL 45 -0.650 -0.091 4.148 302 H SER 46 H SER 46 2.451 -1.311 8.552 303 HA SER 46 HA SER 46 0.570 -1.809 10.725 304 1HB SER 46 1HB SER 46 2.267 -3.593 10.642 305 2HB SER 46 2HB SER 46 3.559 -2.409 10.628 306 HG SER 46 HG SER 46 2.307 -3.502 12.771 307 H LYS 47 H LYS 47 2.028 0.559 9.006 308 HA LYS 47 HA LYS 47 1.900 2.407 11.179 309 1HB LYS 47 1HB LYS 47 4.312 1.220 11.047 310 2HB LYS 47 2HB LYS 47 4.568 2.479 9.856 311 1HG LYS 47 1HG LYS 47 3.246 3.786 11.991 312 2HG LYS 47 2HG LYS 47 4.376 2.701 12.776 313 1HD LYS 47 1HD LYS 47 6.264 3.653 11.594 314 2HD LYS 47 2HD LYS 47 5.223 4.517 10.480 315 1HE LYS 47 1HE LYS 47 5.071 6.289 11.893 316 2HE LYS 47 2HE LYS 47 4.526 5.263 13.205 317 1HZ LYS 47 1HZ LYS 47 6.944 6.473 13.011 318 2HZ LYS 47 2HZ LYS 47 6.532 5.316 14.088 319 3HZ LYS 47 3HZ LYS 47 7.279 4.906 12.694 320 H ILE 48 H ILE 48 1.755 4.596 10.425 321 HA ILE 48 HA ILE 48 2.016 5.050 7.593 322 HB ILE 48 HB ILE 48 -0.649 4.901 8.965 323 1HG1 ILE 48 1HG1 ILE 48 0.501 3.819 6.383 324 2HG1 ILE 48 2HG1 ILE 48 -0.017 2.913 7.791 325 1HG2 ILE 48 1HG2 ILE 48 -1.326 6.791 8.020 326 2HG2 ILE 48 2HG2 ILE 48 0.225 6.993 7.171 327 3HG2 ILE 48 3HG2 ILE 48 -1.074 6.026 6.433 328 1HD1 ILE 48 1HD1 ILE 48 -2.296 4.394 7.174 329 2HD1 ILE 48 2HD1 ILE 48 -1.624 4.009 5.571 330 3HD1 ILE 48 3HD1 ILE 48 -2.010 2.699 6.712 331 H VAL 49 H VAL 49 3.080 6.945 7.473 332 HA VAL 49 HA VAL 49 3.217 8.656 9.732 333 HB VAL 49 HB VAL 49 4.102 9.148 6.884 334 1HG1 VAL 49 1HG1 VAL 49 5.281 10.235 9.457 335 2HG1 VAL 49 2HG1 VAL 49 5.641 10.732 7.786 336 3HG1 VAL 49 3HG1 VAL 49 4.052 11.098 8.501 337 1HG2 VAL 49 1HG2 VAL 49 6.159 8.261 8.766 338 2HG2 VAL 49 2HG2 VAL 49 4.900 7.033 8.495 339 3HG2 VAL 49 3HG2 VAL 49 5.800 7.704 7.114 340 H ASP 50 H ASP 50 1.757 10.157 10.350 341 HA ASP 50 HA ASP 50 -0.573 10.619 9.117 342 1HB ASP 50 1HB ASP 50 1.034 11.900 11.193 343 2HB ASP 50 2HB ASP 50 0.164 13.118 10.281 344 H SER 51 H SER 51 2.057 13.144 9.226 345 HA SER 51 HA SER 51 1.059 14.656 7.189 346 1HB SER 51 1HB SER 51 3.165 14.857 8.921 347 2HB SER 51 2HB SER 51 4.036 14.534 7.435 348 HG SER 51 HG SER 51 2.049 16.619 7.757 349 H GLY 52 H GLY 52 2.709 11.576 7.092 350 1HA GLY 52 1HA GLY 52 4.094 11.506 4.763 351 2HA GLY 52 2HA GLY 52 3.105 10.187 5.357 352 HA PRO 53 HA PRO 53 1.247 12.268 1.573 353 1HB PRO 53 1HB PRO 53 2.632 11.258 -0.556 354 2HB PRO 53 2HB PRO 53 2.933 12.848 0.116 355 1HG PRO 53 1HG PRO 53 4.539 10.382 0.397 356 2HG PRO 53 2HG PRO 53 5.018 12.043 0.686 357 1HD PRO 53 1HD PRO 53 4.376 10.072 2.668 358 2HD PRO 53 2HD PRO 53 4.742 11.762 2.951 359 H ALA 54 H ALA 54 1.865 9.298 2.810 360 HA ALA 54 HA ALA 54 0.204 7.916 0.863 361 1HB ALA 54 1HB ALA 54 0.746 6.022 2.649 362 2HB ALA 54 2HB ALA 54 1.968 6.540 1.462 363 3HB ALA 54 3HB ALA 54 2.028 7.160 3.130 364 H ALA 55 H ALA 55 -0.007 9.642 3.881 365 HA ALA 55 HA ALA 55 -2.490 8.293 4.597 366 1HB ALA 55 1HB ALA 55 -2.119 10.226 6.480 367 2HB ALA 55 2HB ALA 55 -1.398 8.601 6.577 368 3HB ALA 55 3HB ALA 55 -0.438 9.966 5.955 369 H LYS 56 H LYS 56 -1.270 11.697 4.163 370 HA LYS 56 HA LYS 56 -3.589 13.036 4.190 371 1HB LYS 56 1HB LYS 56 -2.455 14.501 2.361 372 2HB LYS 56 2HB LYS 56 -1.714 14.354 3.942 373 1HG LYS 56 1HG LYS 56 0.154 13.435 3.044 374 2HG LYS 56 2HG LYS 56 -0.784 12.165 2.283 375 1HD LYS 56 1HD LYS 56 -0.298 13.110 0.279 376 2HD LYS 56 2HD LYS 56 -1.343 14.445 0.720 377 1HE LYS 56 1HE LYS 56 1.579 14.335 1.582 378 2HE LYS 56 2HE LYS 56 1.090 15.032 0.050 379 1HZ LYS 56 1HZ LYS 56 0.691 16.037 2.707 380 2HZ LYS 56 2HZ LYS 56 0.878 16.849 1.303 381 3HZ LYS 56 3HZ LYS 56 -0.581 16.234 1.703 382 H GLU 57 H GLU 57 -2.232 12.354 0.920 383 HA GLU 57 HA GLU 57 -4.950 12.036 0.018 384 1HB GLU 57 1HB GLU 57 -2.318 12.698 -1.239 385 2HB GLU 57 2HB GLU 57 -3.451 11.828 -2.252 386 1HG GLU 57 1HG GLU 57 -5.079 13.548 -2.149 387 2HG GLU 57 2HG GLU 57 -4.418 14.226 -0.674 388 H GLY 58 H GLY 58 -1.822 10.240 0.141 389 1HA GLY 58 1HA GLY 58 -1.927 8.071 -1.217 390 2HA GLY 58 2HA GLY 58 -1.701 7.942 0.516 391 H GLY 59 H GLY 59 -4.103 8.341 1.693 392 1HA GLY 59 1HA GLY 59 -6.306 7.681 1.813 393 2HA GLY 59 2HA GLY 59 -6.173 6.875 0.263 394 H LEU 60 H LEU 60 -3.421 6.068 2.078 395 HA LEU 60 HA LEU 60 -4.307 3.399 2.408 396 1HB LEU 60 1HB LEU 60 -1.949 4.400 1.947 397 2HB LEU 60 2HB LEU 60 -1.854 4.555 3.690 398 HG LEU 60 HG LEU 60 -2.084 2.176 3.995 399 1HD1 LEU 60 1HD1 LEU 60 -3.375 1.060 2.562 400 2HD1 LEU 60 2HD1 LEU 60 -3.136 2.265 1.273 401 3HD1 LEU 60 3HD1 LEU 60 -1.940 0.968 1.511 402 1HD2 LEU 60 1HD2 LEU 60 0.031 1.580 3.375 403 2HD2 LEU 60 2HD2 LEU 60 -0.130 2.261 1.738 404 3HD2 LEU 60 3HD2 LEU 60 0.130 3.340 3.130 405 H GLN 61 H GLN 61 -3.911 2.272 4.654 406 HA GLN 61 HA GLN 61 -4.453 3.894 6.905 407 1HB GLN 61 1HB GLN 61 -6.708 2.685 5.440 408 2HB GLN 61 2HB GLN 61 -6.663 2.187 7.120 409 1HG GLN 61 1HG GLN 61 -7.337 4.236 7.839 410 2HG GLN 61 2HG GLN 61 -6.099 5.048 6.901 411 1HE2 GLN 61 1HE2 GLN 61 -8.855 2.977 6.010 412 2HE2 GLN 61 2HE2 GLN 61 -9.633 4.093 4.938 413 H ILE 62 H ILE 62 -3.523 2.886 8.648 414 HA ILE 62 HA ILE 62 -2.033 0.676 8.513 415 HB ILE 62 HB ILE 62 -3.658 1.525 10.913 416 1HG1 ILE 62 1HG1 ILE 62 -1.441 2.811 9.474 417 2HG1 ILE 62 2HG1 ILE 62 -2.603 3.486 10.599 418 1HG2 ILE 62 1HG2 ILE 62 -2.051 0.448 12.265 419 2HG2 ILE 62 2HG2 ILE 62 -2.481 -0.723 10.995 420 3HG2 ILE 62 3HG2 ILE 62 -0.952 0.182 10.890 421 1HD1 ILE 62 1HD1 ILE 62 -0.455 3.640 11.674 422 2HD1 ILE 62 2HD1 ILE 62 -1.314 2.304 12.478 423 3HD1 ILE 62 3HD1 ILE 62 -0.057 1.953 11.267 424 H HIS 63 H HIS 63 -2.245 -1.581 9.064 425 HA HIS 63 HA HIS 63 -3.222 -3.547 9.079 426 1HB HIS 63 1HB HIS 63 -5.892 -2.250 9.639 427 2HB HIS 63 2HB HIS 63 -5.370 -3.873 10.043 428 HD1 HIS 63 HD1 HIS 63 -6.256 -1.167 11.875 429 HD2 HIS 63 HD2 HIS 63 -2.603 -3.219 11.674 430 HE1 HIS 63 HE1 HIS 63 -5.030 -0.659 14.054 431 H ASP 64 H ASP 64 -2.713 -2.381 6.632 432 HA ASP 64 HA ASP 64 -5.104 -3.086 5.119 433 1HB ASP 64 1HB ASP 64 -4.813 -1.073 4.113 434 2HB ASP 64 2HB ASP 64 -3.316 -0.807 4.984 435 H ARG 65 H ARG 65 -4.794 -4.565 3.330 436 HA ARG 65 HA ARG 65 -2.179 -5.829 3.364 437 1HB ARG 65 1HB ARG 65 -4.362 -7.146 3.905 438 2HB ARG 65 2HB ARG 65 -4.742 -7.006 2.201 439 1HG ARG 65 1HG ARG 65 -2.439 -8.039 1.711 440 2HG ARG 65 2HG ARG 65 -2.303 -8.367 3.427 441 1HD ARG 65 1HD ARG 65 -3.872 -10.066 3.373 442 2HD ARG 65 2HD ARG 65 -4.870 -9.255 2.183 443 HE ARG 65 HE ARG 65 -2.296 -10.186 1.121 444 1HH1 ARG 65 1HH1 ARG 65 -5.657 -11.032 1.730 445 2HH1 ARG 65 2HH1 ARG 65 -5.693 -12.282 0.531 446 1HH2 ARG 65 1HH2 ARG 65 -2.343 -11.834 -0.461 447 2HH2 ARG 65 2HH2 ARG 65 -3.795 -12.741 -0.724 448 H ILE 66 H ILE 66 -1.120 -4.452 1.824 449 HA ILE 66 HA ILE 66 -2.186 -3.484 -0.501 450 HB ILE 66 HB ILE 66 0.663 -4.412 -0.179 451 1HG1 ILE 66 1HG1 ILE 66 -0.816 -2.210 1.204 452 2HG1 ILE 66 2HG1 ILE 66 0.438 -3.273 1.811 453 1HG2 ILE 66 1HG2 ILE 66 1.165 -2.476 -1.591 454 2HG2 ILE 66 2HG2 ILE 66 0.061 -3.611 -2.404 455 3HG2 ILE 66 3HG2 ILE 66 -0.572 -2.102 -1.704 456 1HD1 ILE 66 1HD1 ILE 66 1.505 -1.155 1.565 457 2HD1 ILE 66 2HD1 ILE 66 2.036 -2.088 0.145 458 3HD1 ILE 66 3HD1 ILE 66 0.751 -0.868 -0.021 459 H ILE 67 H ILE 67 -2.594 -4.248 -2.555 460 HA ILE 67 HA ILE 67 -2.202 -7.139 -2.877 461 HB ILE 67 HB ILE 67 -4.140 -5.509 -4.475 462 1HG1 ILE 67 1HG1 ILE 67 -4.364 -5.106 -1.919 463 2HG1 ILE 67 2HG1 ILE 67 -5.789 -5.503 -2.859 464 1HG2 ILE 67 1HG2 ILE 67 -4.056 -7.632 -5.349 465 2HG2 ILE 67 2HG2 ILE 67 -3.729 -8.393 -3.774 466 3HG2 ILE 67 3HG2 ILE 67 -5.366 -7.808 -4.157 467 1HD1 ILE 67 1HD1 ILE 67 -5.239 -6.797 -0.590 468 2HD1 ILE 67 2HD1 ILE 67 -5.962 -7.654 -1.973 469 3HD1 ILE 67 3HD1 ILE 67 -4.213 -7.778 -1.664 470 H GLU 68 H GLU 68 -1.925 -3.906 -4.441 471 HA GLU 68 HA GLU 68 0.217 -4.996 -6.016 472 1HB GLU 68 1HB GLU 68 -2.386 -4.687 -7.138 473 2HB GLU 68 2HB GLU 68 -1.427 -3.369 -7.779 474 1HG GLU 68 1HG GLU 68 -0.616 -4.873 -9.283 475 2HG GLU 68 2HG GLU 68 0.340 -5.517 -7.963 476 H VAL 69 H VAL 69 1.613 -3.292 -6.935 477 HA VAL 69 HA VAL 69 1.000 -0.600 -5.993 478 HB VAL 69 HB VAL 69 2.523 -2.173 -4.449 479 1HG1 VAL 69 1HG1 VAL 69 4.481 -0.879 -6.378 480 2HG1 VAL 69 2HG1 VAL 69 4.910 -1.671 -4.843 481 3HG1 VAL 69 3HG1 VAL 69 4.198 -2.623 -6.168 482 1HG2 VAL 69 1HG2 VAL 69 3.701 0.493 -4.511 483 2HG2 VAL 69 2HG2 VAL 69 1.927 0.547 -4.640 484 3HG2 VAL 69 3HG2 VAL 69 2.694 -0.283 -3.265 485 H ASN 70 H ASN 70 1.111 0.682 -7.756 486 HA ASN 70 HA ASN 70 1.718 1.508 -9.665 487 1HB ASN 70 1HB ASN 70 4.069 1.283 -8.352 488 2HB ASN 70 2HB ASN 70 4.421 0.144 -9.637 489 1HD2 ASN 70 1HD2 ASN 70 4.268 3.381 -8.701 490 2HD2 ASN 70 2HD2 ASN 70 4.544 4.149 -10.228 491 H GLY 71 H GLY 71 0.836 -1.482 -9.301 492 1HA GLY 71 1HA GLY 71 0.025 -2.791 -11.078 493 2HA GLY 71 2HA GLY 71 1.364 -2.273 -12.084 494 H ARG 72 H ARG 72 2.739 -2.763 -9.080 495 HA ARG 72 HA ARG 72 3.642 -5.364 -9.928 496 1HB ARG 72 1HB ARG 72 4.871 -3.117 -8.674 497 2HB ARG 72 2HB ARG 72 4.865 -4.376 -7.456 498 1HG ARG 72 1HG ARG 72 5.678 -5.858 -9.593 499 2HG ARG 72 2HG ARG 72 6.285 -4.293 -10.099 500 1HD ARG 72 1HD ARG 72 7.462 -4.057 -7.881 501 2HD ARG 72 2HD ARG 72 6.893 -5.652 -7.428 502 HE ARG 72 HE ARG 72 8.233 -5.783 -9.979 503 1HH1 ARG 72 1HH1 ARG 72 8.885 -5.437 -6.538 504 2HH1 ARG 72 2HH1 ARG 72 10.472 -6.123 -6.639 505 1HH2 ARG 72 1HH2 ARG 72 10.327 -6.689 -10.112 506 2HH2 ARG 72 2HH2 ARG 72 11.298 -6.840 -8.686 507 H ASP 73 H ASP 73 3.094 -7.266 -8.852 508 HA ASP 73 HA ASP 73 1.110 -7.043 -6.832 509 1HB ASP 73 1HB ASP 73 1.315 -8.824 -8.718 510 2HB ASP 73 2HB ASP 73 2.549 -9.575 -7.725 511 H LEU 74 H LEU 74 1.470 -7.241 -4.595 512 HA LEU 74 HA LEU 74 4.063 -8.315 -3.758 513 1HB LEU 74 1HB LEU 74 2.828 -5.900 -2.460 514 2HB LEU 74 2HB LEU 74 4.440 -6.555 -2.244 515 HG LEU 74 HG LEU 74 3.426 -5.266 -4.793 516 1HD1 LEU 74 1HD1 LEU 74 5.165 -3.482 -4.051 517 2HD1 LEU 74 2HD1 LEU 74 3.537 -3.477 -3.330 518 3HD1 LEU 74 3HD1 LEU 74 4.909 -4.161 -2.426 519 1HD2 LEU 74 1HD2 LEU 74 5.425 -7.065 -4.640 520 2HD2 LEU 74 2HD2 LEU 74 5.405 -5.704 -5.788 521 3HD2 LEU 74 3HD2 LEU 74 6.328 -5.576 -4.270 522 H SER 75 H SER 75 0.973 -9.027 -3.942 523 HA SER 75 HA SER 75 0.024 -9.190 -1.370 524 1HB SER 75 1HB SER 75 -1.471 -10.982 -2.267 525 2HB SER 75 2HB SER 75 -1.409 -9.571 -3.306 526 HG SER 75 HG SER 75 -1.076 -11.972 -4.155 527 H ARG 76 H ARG 76 2.101 -11.432 -3.290 528 HA ARG 76 HA ARG 76 2.415 -12.995 -0.856 529 1HB ARG 76 1HB ARG 76 3.210 -14.834 -2.412 530 2HB ARG 76 2HB ARG 76 1.541 -14.368 -2.672 531 1HG ARG 76 1HG ARG 76 2.075 -13.114 -4.649 532 2HG ARG 76 2HG ARG 76 3.785 -13.079 -4.269 533 1HD ARG 76 1HD ARG 76 4.038 -15.446 -4.750 534 2HD ARG 76 2HD ARG 76 2.304 -15.691 -4.805 535 HE ARG 76 HE ARG 76 3.979 -14.528 -6.925 536 1HH1 ARG 76 1HH1 ARG 76 0.711 -14.936 -5.686 537 2HH1 ARG 76 2HH1 ARG 76 -0.044 -14.636 -7.216 538 1HH2 ARG 76 1HH2 ARG 76 2.983 -14.132 -8.944 539 2HH2 ARG 76 2HH2 ARG 76 1.257 -14.176 -9.081 540 H ALA 77 H ALA 77 3.798 -10.414 -1.792 541 HA ALA 77 HA ALA 77 6.506 -11.372 -2.267 542 1HB ALA 77 1HB ALA 77 6.974 -8.955 -2.615 543 2HB ALA 77 2HB ALA 77 5.652 -9.539 -3.655 544 3HB ALA 77 3HB ALA 77 5.284 -8.583 -2.199 545 H THR 78 H THR 78 8.252 -10.037 -0.960 546 HA THR 78 HA THR 78 7.428 -10.184 1.862 547 HB THR 78 HB THR 78 9.153 -11.835 1.075 548 HG1 THR 78 HG1 THR 78 10.276 -9.617 2.625 549 1HG2 THR 78 1HG2 THR 78 10.169 -10.056 -0.617 550 2HG2 THR 78 2HG2 THR 78 11.062 -9.487 0.814 551 3HG2 THR 78 3HG2 THR 78 11.268 -11.160 0.242 552 H HIS 79 H HIS 79 8.722 -8.702 3.348 553 HA HIS 79 HA HIS 79 8.109 -6.111 2.743 554 1HB HIS 79 1HB HIS 79 8.674 -7.184 4.985 555 2HB HIS 79 2HB HIS 79 10.362 -6.949 4.579 556 HD1 HIS 79 HD1 HIS 79 11.358 -4.750 5.255 557 HD2 HIS 79 HD2 HIS 79 7.175 -4.584 4.984 558 HE1 HIS 79 HE1 HIS 79 10.679 -2.432 6.078 559 H ASP 80 H ASP 80 11.109 -7.965 2.087 560 HA ASP 80 HA ASP 80 12.690 -5.824 1.392 561 1HB ASP 80 1HB ASP 80 12.811 -8.677 1.310 562 2HB ASP 80 2HB ASP 80 13.193 -8.140 -0.313 563 H GLN 81 H GLN 81 10.624 -8.050 -0.621 564 HA GLN 81 HA GLN 81 11.164 -6.750 -3.023 565 1HB GLN 81 1HB GLN 81 8.972 -8.633 -2.095 566 2HB GLN 81 2HB GLN 81 8.955 -7.968 -3.716 567 1HG GLN 81 1HG GLN 81 11.523 -8.797 -3.692 568 2HG GLN 81 2HG GLN 81 10.910 -9.896 -2.473 569 1HE2 GLN 81 1HE2 GLN 81 9.480 -11.494 -2.992 570 2HE2 GLN 81 2HE2 GLN 81 9.074 -11.947 -4.614 571 H ALA 82 H ALA 82 8.439 -6.491 -0.652 572 HA ALA 82 HA ALA 82 6.874 -4.714 -2.075 573 1HB ALA 82 1HB ALA 82 5.860 -4.225 0.088 574 2HB ALA 82 2HB ALA 82 6.248 -5.960 0.001 575 3HB ALA 82 3HB ALA 82 7.289 -4.861 0.937 576 H VAL 83 H VAL 83 9.376 -3.997 0.468 577 HA VAL 83 HA VAL 83 9.255 -1.262 0.302 578 HB VAL 83 HB VAL 83 11.509 -3.170 0.912 579 1HG1 VAL 83 1HG1 VAL 83 12.463 -1.029 0.133 580 2HG1 VAL 83 2HG1 VAL 83 11.489 -0.163 1.345 581 3HG1 VAL 83 3HG1 VAL 83 12.755 -1.299 1.868 582 1HG2 VAL 83 1HG2 VAL 83 10.533 -1.505 3.085 583 2HG2 VAL 83 2HG2 VAL 83 9.209 -2.426 2.332 584 3HG2 VAL 83 3HG2 VAL 83 10.638 -3.278 2.967 585 H GLU 84 H GLU 84 11.352 -3.547 -1.583 586 HA GLU 84 HA GLU 84 12.665 -1.640 -3.030 587 1HB GLU 84 1HB GLU 84 13.239 -4.064 -2.973 588 2HB GLU 84 2HB GLU 84 11.816 -4.429 -3.928 589 1HG GLU 84 1HG GLU 84 12.738 -3.604 -5.888 590 2HG GLU 84 2HG GLU 84 13.633 -2.340 -5.068 591 H ALA 85 H ALA 85 9.507 -3.268 -3.691 592 HA ALA 85 HA ALA 85 9.046 -2.264 -6.212 593 1HB ALA 85 1HB ALA 85 7.157 -2.901 -3.914 594 2HB ALA 85 2HB ALA 85 6.623 -2.584 -5.582 595 3HB ALA 85 3HB ALA 85 7.662 -3.986 -5.232 596 H PHE 86 H PHE 86 8.107 -0.848 -2.999 597 HA PHE 86 HA PHE 86 7.020 1.480 -4.108 598 1HB PHE 86 1HB PHE 86 8.163 0.561 -1.427 599 2HB PHE 86 2HB PHE 86 7.664 2.231 -1.607 600 HD1 PHE 86 HD1 PHE 86 6.587 -1.113 -0.964 601 HD2 PHE 86 HD2 PHE 86 5.248 2.686 -2.301 602 HE1 PHE 86 HE1 PHE 86 4.218 -1.766 -0.449 603 HE2 PHE 86 HE2 PHE 86 2.880 2.033 -1.786 604 HZ PHE 86 HZ PHE 86 2.393 -0.185 -0.866 605 H LYS 87 H LYS 87 10.333 0.459 -3.446 606 HA LYS 87 HA LYS 87 11.373 3.127 -3.397 607 1HB LYS 87 1HB LYS 87 12.577 1.576 -2.110 608 2HB LYS 87 2HB LYS 87 12.561 0.358 -3.370 609 1HG LYS 87 1HG LYS 87 14.060 1.753 -4.776 610 2HG LYS 87 2HG LYS 87 14.032 3.028 -3.574 611 1HD LYS 87 1HD LYS 87 14.907 0.233 -2.783 612 2HD LYS 87 2HD LYS 87 16.033 1.298 -3.601 613 1HE LYS 87 1HE LYS 87 14.501 2.182 -1.118 614 2HE LYS 87 2HE LYS 87 16.036 1.345 -1.007 615 1HZ LYS 87 1HZ LYS 87 16.061 3.518 -2.851 616 2HZ LYS 87 2HZ LYS 87 15.749 3.982 -1.317 617 3HZ LYS 87 3HZ LYS 87 17.114 3.154 -1.658 618 H THR 88 H THR 88 11.109 0.419 -5.765 619 HA THR 88 HA THR 88 12.348 2.071 -7.809 620 HB THR 88 HB THR 88 12.065 -0.061 -9.141 621 HG1 THR 88 HG1 THR 88 10.224 -0.994 -8.202 622 1HG2 THR 88 1HG2 THR 88 13.570 -1.472 -7.846 623 2HG2 THR 88 2HG2 THR 88 14.050 0.212 -7.526 624 3HG2 THR 88 3HG2 THR 88 13.087 -0.682 -6.326 625 H ALA 89 H ALA 89 9.308 1.874 -6.403 626 HA ALA 89 HA ALA 89 7.718 1.959 -8.755 627 1HB ALA 89 1HB ALA 89 6.636 1.238 -6.787 628 2HB ALA 89 2HB ALA 89 7.307 2.572 -5.818 629 3HB ALA 89 3HB ALA 89 6.031 2.896 -7.017 630 H LYS 90 H LYS 90 6.700 3.793 -9.734 631 HA LYS 90 HA LYS 90 8.094 6.308 -9.131 632 1HB LYS 90 1HB LYS 90 7.538 4.895 -11.671 633 2HB LYS 90 2HB LYS 90 7.203 6.614 -11.693 634 1HG LYS 90 1HG LYS 90 9.832 5.387 -10.735 635 2HG LYS 90 2HG LYS 90 9.576 6.040 -12.341 636 1HD LYS 90 1HD LYS 90 8.745 7.930 -10.233 637 2HD LYS 90 2HD LYS 90 10.431 7.477 -10.081 638 1HE LYS 90 1HE LYS 90 9.439 8.155 -12.843 639 2HE LYS 90 2HE LYS 90 9.610 9.480 -11.710 640 1HZ LYS 90 1HZ LYS 90 11.712 7.570 -12.457 641 2HZ LYS 90 2HZ LYS 90 11.638 9.146 -12.876 642 3HZ LYS 90 3HZ LYS 90 11.885 8.726 -11.317 643 H GLU 91 H GLU 91 6.828 8.284 -9.318 644 HA GLU 91 HA GLU 91 4.118 7.767 -8.497 645 1HB GLU 91 1HB GLU 91 5.558 10.447 -8.659 646 2HB GLU 91 2HB GLU 91 4.101 10.086 -7.754 647 1HG GLU 91 1HG GLU 91 5.263 9.174 -6.009 648 2HG GLU 91 2HG GLU 91 6.328 8.270 -7.067 649 HA PRO 92 HA PRO 92 2.419 8.819 -8.344 650 1HB PRO 92 1HB PRO 92 -0.128 8.192 -9.110 651 2HB PRO 92 2HB PRO 92 0.409 9.835 -8.820 652 1HG PRO 92 1HG PRO 92 -0.098 8.479 -11.397 653 2HG PRO 92 2HG PRO 92 0.019 10.195 -11.064 654 1HD PRO 92 1HD PRO 92 2.019 8.545 -12.291 655 2HD PRO 92 2HD PRO 92 2.178 10.234 -11.852 656 H ILE 93 H ILE 93 2.099 7.087 -6.968 657 HA ILE 93 HA ILE 93 2.569 4.561 -8.356 658 HB ILE 93 HB ILE 93 2.866 5.331 -5.451 659 1HG1 ILE 93 1HG1 ILE 93 5.132 4.645 -7.301 660 2HG1 ILE 93 2HG1 ILE 93 4.463 6.265 -7.317 661 1HG2 ILE 93 1HG2 ILE 93 2.351 2.830 -6.323 662 2HG2 ILE 93 2HG2 ILE 93 4.121 2.864 -6.505 663 3HG2 ILE 93 3HG2 ILE 93 3.383 3.200 -4.921 664 1HD1 ILE 93 1HD1 ILE 93 5.206 4.951 -4.685 665 2HD1 ILE 93 2HD1 ILE 93 6.442 5.751 -5.685 666 3HD1 ILE 93 3HD1 ILE 93 5.059 6.684 -5.063 667 H VAL 94 H VAL 94 0.789 3.419 -8.886 668 HA VAL 94 HA VAL 94 -1.654 3.877 -7.424 669 HB VAL 94 HB VAL 94 -0.990 2.065 -9.754 670 1HG1 VAL 94 1HG1 VAL 94 -3.711 2.977 -8.766 671 2HG1 VAL 94 2HG1 VAL 94 -3.368 1.856 -10.105 672 3HG1 VAL 94 3HG1 VAL 94 -2.998 1.382 -8.430 673 1HG2 VAL 94 1HG2 VAL 94 -2.531 4.032 -10.800 674 2HG2 VAL 94 2HG2 VAL 94 -1.668 4.948 -9.540 675 3HG2 VAL 94 3HG2 VAL 94 -0.751 4.069 -10.788 676 H VAL 95 H VAL 95 -1.942 2.890 -5.491 677 HA VAL 95 HA VAL 95 -0.930 0.139 -5.266 678 HB VAL 95 HB VAL 95 -1.499 1.609 -2.792 679 1HG1 VAL 95 1HG1 VAL 95 0.371 -0.406 -3.848 680 2HG1 VAL 95 2HG1 VAL 95 1.105 0.736 -2.698 681 3HG1 VAL 95 3HG1 VAL 95 -0.318 -0.220 -2.218 682 1HG2 VAL 95 1HG2 VAL 95 0.686 2.576 -4.662 683 2HG2 VAL 95 2HG2 VAL 95 -0.665 3.519 -3.988 684 3HG2 VAL 95 3HG2 VAL 95 0.632 2.933 -2.919 685 H GLN 96 H GLN 96 -2.288 -1.394 -4.132 686 HA GLN 96 HA GLN 96 -5.038 -0.471 -3.871 687 1HB GLN 96 1HB GLN 96 -5.156 -1.642 -5.915 688 2HB GLN 96 2HB GLN 96 -3.975 -2.839 -5.420 689 1HG GLN 96 1HG GLN 96 -5.528 -4.107 -4.254 690 2HG GLN 96 2HG GLN 96 -6.469 -2.712 -3.766 691 1HE2 GLN 96 1HE2 GLN 96 -7.855 -1.688 -5.293 692 2HE2 GLN 96 2HE2 GLN 96 -8.546 -2.571 -6.614 693 H VAL 97 H VAL 97 -6.232 -1.406 -2.145 694 HA VAL 97 HA VAL 97 -4.733 -3.310 -0.493 695 HB VAL 97 HB VAL 97 -5.274 -2.113 1.483 696 1HG1 VAL 97 1HG1 VAL 97 -4.219 0.175 0.984 697 2HG1 VAL 97 2HG1 VAL 97 -3.272 -1.273 0.567 698 3HG1 VAL 97 3HG1 VAL 97 -4.128 -0.372 -0.708 699 1HG2 VAL 97 1HG2 VAL 97 -6.913 -0.283 -0.298 700 2HG2 VAL 97 2HG2 VAL 97 -7.493 -1.330 1.020 701 3HG2 VAL 97 3HG2 VAL 97 -6.488 0.091 1.390 702 H LEU 98 H LEU 98 -6.243 -4.422 1.130 703 HA LEU 98 HA LEU 98 -8.811 -4.868 -0.220 704 1HB LEU 98 1HB LEU 98 -6.741 -6.639 0.699 705 2HB LEU 98 2HB LEU 98 -8.227 -6.977 1.563 706 HG LEU 98 HG LEU 98 -9.404 -7.511 -0.413 707 1HD1 LEU 98 1HD1 LEU 98 -7.811 -7.262 -2.629 708 2HD1 LEU 98 2HD1 LEU 98 -9.096 -6.130 -2.145 709 3HD1 LEU 98 3HD1 LEU 98 -7.404 -5.795 -1.707 710 1HD2 LEU 98 1HD2 LEU 98 -8.255 -9.432 0.003 711 2HD2 LEU 98 2HD2 LEU 98 -7.623 -9.072 -1.622 712 3HD2 LEU 98 3HD2 LEU 98 -6.662 -8.659 -0.181 713 H ARG 99 H ARG 99 -10.401 -3.734 0.763 714 HA ARG 99 HA ARG 99 -10.193 -3.489 3.649 715 1HB ARG 99 1HB ARG 99 -11.916 -1.909 1.672 716 2HB ARG 99 2HB ARG 99 -11.816 -1.597 3.393 717 1HG ARG 99 1HG ARG 99 -9.121 -1.674 2.399 718 2HG ARG 99 2HG ARG 99 -10.046 -0.686 1.287 719 1HD ARG 99 1HD ARG 99 -10.338 0.995 2.823 720 2HD ARG 99 2HD ARG 99 -10.673 -0.122 4.130 721 HE ARG 99 HE ARG 99 -8.360 -0.214 4.654 722 1HH1 ARG 99 1HH1 ARG 99 -8.905 1.614 1.697 723 2HH1 ARG 99 2HH1 ARG 99 -7.303 2.269 1.655 724 1HH2 ARG 99 1HH2 ARG 99 -6.246 0.650 4.600 725 2HH2 ARG 99 2HH2 ARG 99 -5.780 1.718 3.317 726 H ARG 100 H ARG 100 -11.781 -4.402 4.980 727 HA ARG 100 HA ARG 100 -13.251 -6.464 4.157 728 1HB ARG 100 1HB ARG 100 -14.028 -4.486 6.361 729 2HB ARG 100 2HB ARG 100 -14.633 -6.125 6.230 730 1HG ARG 100 1HG ARG 100 -12.813 -6.908 7.327 731 2HG ARG 100 2HG ARG 100 -11.764 -6.269 6.077 732 1HD ARG 100 1HD ARG 100 -12.870 -4.435 8.235 733 2HD ARG 100 2HD ARG 100 -11.456 -5.420 8.551 734 HE ARG 100 HE ARG 100 -11.552 -3.041 6.906 735 1HH1 ARG 100 1HH1 ARG 100 -9.959 -6.166 7.190 736 2HH1 ARG 100 2HH1 ARG 100 -8.530 -5.657 6.354 737 1HH2 ARG 100 1HH2 ARG 100 -9.667 -2.369 5.802 738 2HH2 ARG 100 2HH2 ARG 100 -8.363 -3.482 5.559 739 H THR 101 H THR 101 -14.304 -3.004 4.365 740 HA THR 101 HA THR 101 -16.023 -3.192 2.170 741 HB THR 101 HB THR 101 -17.445 -4.608 3.572 742 HG1 THR 101 HG1 THR 101 -18.297 -1.806 3.742 743 1HG2 THR 101 1HG2 THR 101 -18.055 -4.132 5.788 744 2HG2 THR 101 2HG2 THR 101 -16.405 -3.465 5.782 745 3HG2 THR 101 3HG2 THR 101 -17.803 -2.382 5.584 746 H SER 102 H SER 102 -15.666 -1.624 5.415 747 HA SER 102 HA SER 102 -15.257 0.848 3.992 748 1HB SER 102 1HB SER 102 -17.298 0.677 6.249 749 2HB SER 102 2HB SER 102 -16.912 2.089 5.286 750 HG SER 102 HG SER 102 -18.468 1.448 3.973 751 H GLY 103 H GLY 103 -14.801 2.661 5.857 752 1HA GLY 103 1HA GLY 103 -13.800 1.780 8.344 753 2HA GLY 103 2HA GLY 103 -12.484 1.858 7.189 754 HA PRO 104 HA PRO 104 -14.104 6.155 8.410 755 1HB PRO 104 1HB PRO 104 -14.016 6.465 11.123 756 2HB PRO 104 2HB PRO 104 -15.494 6.128 10.245 757 1HG PRO 104 1HG PRO 104 -13.876 4.306 11.918 758 2HG PRO 104 2HG PRO 104 -15.538 4.128 11.391 759 1HD PRO 104 1HD PRO 104 -13.246 2.776 10.323 760 2HD PRO 104 2HD PRO 104 -14.889 2.686 9.722 761 H SER 105 H SER 105 -12.911 8.086 9.398 762 HA SER 105 HA SER 105 -10.195 7.321 9.987 763 1HB SER 105 1HB SER 105 -10.376 7.618 7.473 764 2HB SER 105 2HB SER 105 -10.838 9.286 7.745 765 HG SER 105 HG SER 105 -8.429 8.613 7.373 766 H SER 106 H SER 106 -9.037 8.985 11.161 767 HA SER 106 HA SER 106 -8.774 10.769 12.382 768 1HB SER 106 1HB SER 106 -10.520 11.744 10.323 769 2HB SER 106 2HB SER 106 -11.093 12.411 11.839 770 HG SER 106 HG SER 106 -9.538 13.852 11.162 771 H GLY 107 H GLY 107 -12.402 10.808 12.132 772 1HA GLY 107 1HA GLY 107 -12.557 10.594 15.046 773 2HA GLY 107 2HA GLY 107 -13.836 11.058 13.941 Start of MODEL 14 1 1H GLY 1 1H GLY 1 -17.873 -25.550 -6.701 2 1HA GLY 1 1HA GLY 1 -16.287 -23.945 -5.175 3 2HA GLY 1 2HA GLY 1 -15.142 -24.945 -6.047 4 H SER 2 H SER 2 -16.955 -22.087 -6.161 5 HA SER 2 HA SER 2 -16.086 -21.565 -8.780 6 1HB SER 2 1HB SER 2 -18.499 -22.914 -8.745 7 2HB SER 2 2HB SER 2 -19.042 -21.248 -8.728 8 HG SER 2 HG SER 2 -17.688 -20.862 -10.627 9 H SER 3 H SER 3 -18.788 -20.670 -6.500 10 HA SER 3 HA SER 3 -18.201 -17.906 -6.920 11 1HB SER 3 1HB SER 3 -20.134 -19.174 -4.931 12 2HB SER 3 2HB SER 3 -20.129 -17.502 -5.454 13 HG SER 3 HG SER 3 -21.119 -19.793 -6.753 14 H GLY 4 H GLY 4 -16.974 -16.588 -5.582 15 1HA GLY 4 1HA GLY 4 -16.300 -17.582 -2.899 16 2HA GLY 4 2HA GLY 4 -15.006 -17.209 -4.021 17 H SER 5 H SER 5 -15.596 -15.886 -1.448 18 HA SER 5 HA SER 5 -15.563 -13.219 -2.460 19 1HB SER 5 1HB SER 5 -17.712 -14.045 -0.457 20 2HB SER 5 2HB SER 5 -17.379 -12.401 -0.964 21 HG SER 5 HG SER 5 -17.714 -13.659 -3.250 22 H SER 6 H SER 6 -15.037 -11.632 -0.606 23 HA SER 6 HA SER 6 -14.195 -12.806 1.832 24 1HB SER 6 1HB SER 6 -12.234 -12.306 -0.354 25 2HB SER 6 2HB SER 6 -11.770 -11.657 1.206 26 HG SER 6 HG SER 6 -11.682 -13.678 2.091 27 H GLY 7 H GLY 7 -13.181 -10.008 -0.276 28 1HA GLY 7 1HA GLY 7 -14.630 -8.159 1.437 29 2HA GLY 7 2HA GLY 7 -12.883 -8.031 1.488 30 H LYS 8 H LYS 8 -12.989 -5.891 0.531 31 HA LYS 8 HA LYS 8 -13.529 -6.015 -2.353 32 1HB LYS 8 1HB LYS 8 -14.796 -4.371 -0.361 33 2HB LYS 8 2HB LYS 8 -13.872 -3.345 -1.439 34 1HG LYS 8 1HG LYS 8 -15.686 -3.504 -2.821 35 2HG LYS 8 2HG LYS 8 -15.024 -5.067 -3.256 36 1HD LYS 8 1HD LYS 8 -16.795 -6.140 -2.331 37 2HD LYS 8 2HD LYS 8 -16.526 -5.351 -0.790 38 1HE LYS 8 1HE LYS 8 -18.476 -4.237 -1.149 39 2HE LYS 8 2HE LYS 8 -17.617 -3.297 -2.353 40 1HZ LYS 8 1HZ LYS 8 -19.540 -4.294 -3.309 41 2HZ LYS 8 2HZ LYS 8 -18.223 -4.992 -3.978 42 3HZ LYS 8 3HZ LYS 8 -19.086 -5.794 -2.847 43 H SER 9 H SER 9 -12.200 -4.504 -3.651 44 HA SER 9 HA SER 9 -9.670 -4.025 -2.280 45 1HB SER 9 1HB SER 9 -8.503 -4.548 -4.297 46 2HB SER 9 2HB SER 9 -9.714 -5.802 -4.120 47 HG SER 9 HG SER 9 -11.019 -4.035 -5.506 48 H LEU 10 H LEU 10 -9.019 -1.899 -2.162 49 HA LEU 10 HA LEU 10 -10.395 -0.021 -3.953 50 1HB LEU 10 1HB LEU 10 -9.175 0.828 -1.365 51 2HB LEU 10 2HB LEU 10 -10.500 1.536 -2.268 52 HG LEU 10 HG LEU 10 -11.491 0.638 -0.349 53 1HD1 LEU 10 1HD1 LEU 10 -13.167 -0.500 -1.307 54 2HD1 LEU 10 2HD1 LEU 10 -12.252 -0.258 -2.815 55 3HD1 LEU 10 3HD1 LEU 10 -12.091 -1.783 -1.911 56 1HD2 LEU 10 1HD2 LEU 10 -10.746 -2.148 -0.408 57 2HD2 LEU 10 2HD2 LEU 10 -9.297 -1.117 -0.323 58 3HD2 LEU 10 3HD2 LEU 10 -10.580 -0.952 0.900 59 H THR 11 H THR 11 -9.109 1.876 -4.650 60 HA THR 11 HA THR 11 -6.277 1.115 -4.918 61 HB THR 11 HB THR 11 -7.696 3.064 -6.747 62 HG1 THR 11 HG1 THR 11 -9.144 1.253 -6.600 63 1HG2 THR 11 1HG2 THR 11 -5.638 0.823 -7.094 64 2HG2 THR 11 2HG2 THR 11 -6.351 1.730 -8.449 65 3HG2 THR 11 3HG2 THR 11 -5.340 2.571 -7.249 66 H LEU 12 H LEU 12 -4.647 2.552 -4.440 67 HA LEU 12 HA LEU 12 -5.465 5.208 -3.564 68 1HB LEU 12 1HB LEU 12 -3.534 4.247 -1.711 69 2HB LEU 12 2HB LEU 12 -5.150 4.859 -1.417 70 HG LEU 12 HG LEU 12 -5.719 2.316 -2.230 71 1HD1 LEU 12 1HD1 LEU 12 -3.875 1.203 -0.492 72 2HD1 LEU 12 2HD1 LEU 12 -3.866 1.078 -2.268 73 3HD1 LEU 12 3HD1 LEU 12 -2.903 2.338 -1.460 74 1HD2 LEU 12 1HD2 LEU 12 -6.819 2.562 -0.319 75 2HD2 LEU 12 2HD2 LEU 12 -5.330 2.112 0.545 76 3HD2 LEU 12 3HD2 LEU 12 -5.692 3.826 0.229 77 H VAL 13 H VAL 13 -4.002 6.782 -4.131 78 HA VAL 13 HA VAL 13 -1.652 5.805 -5.567 79 HB VAL 13 HB VAL 13 -3.176 8.412 -5.585 80 1HG1 VAL 13 1HG1 VAL 13 -0.751 8.848 -5.788 81 2HG1 VAL 13 2HG1 VAL 13 -0.672 7.714 -7.158 82 3HG1 VAL 13 3HG1 VAL 13 -1.628 9.209 -7.295 83 1HG2 VAL 13 1HG2 VAL 13 -3.203 5.966 -7.202 84 2HG2 VAL 13 2HG2 VAL 13 -4.398 7.281 -7.088 85 3HG2 VAL 13 3HG2 VAL 13 -2.995 7.445 -8.171 86 H LEU 14 H LEU 14 0.249 5.773 -4.496 87 HA LEU 14 HA LEU 14 0.548 7.684 -2.288 88 1HB LEU 14 1HB LEU 14 2.023 5.085 -2.713 89 2HB LEU 14 2HB LEU 14 2.099 6.131 -1.308 90 HG LEU 14 HG LEU 14 -0.266 4.477 -2.225 91 1HD1 LEU 14 1HD1 LEU 14 0.469 2.899 -0.850 92 2HD1 LEU 14 2HD1 LEU 14 1.955 3.849 -0.613 93 3HD1 LEU 14 3HD1 LEU 14 0.579 4.057 0.497 94 1HD2 LEU 14 1HD2 LEU 14 -1.603 5.934 -1.215 95 2HD2 LEU 14 2HD2 LEU 14 -0.814 5.502 0.321 96 3HD2 LEU 14 3HD2 LEU 14 -0.221 6.889 -0.624 97 H HIS 15 H HIS 15 2.678 8.692 -2.010 98 HA HIS 15 HA HIS 15 4.205 8.730 -4.505 99 1HB HIS 15 1HB HIS 15 3.299 11.117 -2.876 100 2HB HIS 15 2HB HIS 15 4.529 11.196 -4.121 101 HD1 HIS 15 HD1 HIS 15 3.749 11.438 -6.521 102 HD2 HIS 15 HD2 HIS 15 0.647 10.387 -3.901 103 HE1 HIS 15 HE1 HIS 15 1.589 11.602 -7.869 104 H ARG 16 H ARG 16 6.459 9.760 -4.111 105 HA ARG 16 HA ARG 16 7.347 8.782 -1.519 106 1HB ARG 16 1HB ARG 16 8.815 8.999 -4.193 107 2HB ARG 16 2HB ARG 16 9.623 8.587 -2.693 108 1HG ARG 16 1HG ARG 16 7.741 6.727 -2.497 109 2HG ARG 16 2HG ARG 16 7.543 6.993 -4.218 110 1HD ARG 16 1HD ARG 16 10.363 6.643 -3.244 111 2HD ARG 16 2HD ARG 16 9.341 5.221 -3.188 112 HE ARG 16 HE ARG 16 9.276 5.175 -5.545 113 1HH1 ARG 16 1HH1 ARG 16 10.679 8.206 -4.437 114 2HH1 ARG 16 2HH1 ARG 16 11.221 8.678 -6.013 115 1HH2 ARG 16 1HH2 ARG 16 9.990 5.798 -7.624 116 2HH2 ARG 16 2HH2 ARG 16 10.826 7.300 -7.838 117 H ASP 17 H ASP 17 7.096 10.766 -0.346 118 HA ASP 17 HA ASP 17 7.883 13.220 -1.369 119 1HB ASP 17 1HB ASP 17 6.434 13.326 0.485 120 2HB ASP 17 2HB ASP 17 7.310 12.095 1.373 121 H SER 18 H SER 18 9.687 10.478 -0.362 122 HA SER 18 HA SER 18 12.102 11.291 -0.938 123 1HB SER 18 1HB SER 18 11.300 12.593 1.602 124 2HB SER 18 2HB SER 18 12.835 11.754 1.702 125 HG SER 18 HG SER 18 13.507 12.956 -0.242 126 H GLY 19 H GLY 19 11.411 8.907 -1.241 127 1HA GLY 19 1HA GLY 19 11.439 6.725 -0.636 128 2HA GLY 19 2HA GLY 19 12.987 7.160 0.061 129 H SER 20 H SER 20 9.461 7.582 0.877 130 HA SER 20 HA SER 20 10.014 6.320 3.408 131 1HB SER 20 1HB SER 20 10.037 9.077 3.300 132 2HB SER 20 2HB SER 20 8.350 8.775 3.663 133 HG SER 20 HG SER 20 9.554 8.949 5.619 134 H LEU 21 H LEU 21 7.660 7.899 1.166 135 HA LEU 21 HA LEU 21 5.643 7.294 0.497 136 1HB LEU 21 1HB LEU 21 6.548 4.700 1.696 137 2HB LEU 21 2HB LEU 21 4.894 4.882 1.146 138 HG LEU 21 HG LEU 21 6.212 3.836 -0.577 139 1HD1 LEU 21 1HD1 LEU 21 5.907 6.590 -1.695 140 2HD1 LEU 21 2HD1 LEU 21 5.400 5.017 -2.357 141 3HD1 LEU 21 3HD1 LEU 21 4.470 5.770 -1.038 142 1HD2 LEU 21 1HD2 LEU 21 8.128 4.909 -1.636 143 2HD2 LEU 21 2HD2 LEU 21 8.006 6.278 -0.505 144 3HD2 LEU 21 3HD2 LEU 21 8.420 4.657 0.101 145 H GLY 22 H GLY 22 6.576 7.927 3.590 146 1HA GLY 22 1HA GLY 22 5.504 8.560 5.459 147 2HA GLY 22 2HA GLY 22 4.114 8.877 4.441 148 H PHE 23 H PHE 23 5.741 5.703 5.026 149 HA PHE 23 HA PHE 23 3.968 4.795 6.968 150 1HB PHE 23 1HB PHE 23 2.290 3.722 5.687 151 2HB PHE 23 2HB PHE 23 2.605 5.101 4.652 152 HD1 PHE 23 HD1 PHE 23 4.986 4.475 3.207 153 HD2 PHE 23 HD2 PHE 23 1.871 1.856 4.409 154 HE1 PHE 23 HE1 PHE 23 5.558 2.926 1.317 155 HE2 PHE 23 HE2 PHE 23 2.444 0.307 2.520 156 HZ PHE 23 HZ PHE 23 4.280 0.860 0.996 157 H ASN 24 H ASN 24 3.860 2.107 6.620 158 HA ASN 24 HA ASN 24 6.448 1.294 5.625 159 1HB ASN 24 1HB ASN 24 5.811 1.591 8.440 160 2HB ASN 24 2HB ASN 24 5.977 -0.121 8.104 161 1HD2 ASN 24 1HD2 ASN 24 7.886 -0.532 9.020 162 2HD2 ASN 24 2HD2 ASN 24 9.403 0.163 8.555 163 H ILE 25 H ILE 25 6.417 -1.386 6.432 164 HA ILE 25 HA ILE 25 3.760 -2.449 6.063 165 HB ILE 25 HB ILE 25 4.854 -3.925 4.160 166 1HG1 ILE 25 1HG1 ILE 25 6.288 -1.270 3.849 167 2HG1 ILE 25 2HG1 ILE 25 7.042 -2.799 4.254 168 1HG2 ILE 25 1HG2 ILE 25 3.749 -2.482 2.512 169 2HG2 ILE 25 2HG2 ILE 25 2.762 -2.691 3.979 170 3HG2 ILE 25 3HG2 ILE 25 3.658 -1.175 3.717 171 1HD1 ILE 25 1HD1 ILE 25 5.979 -3.720 2.070 172 2HD1 ILE 25 2HD1 ILE 25 5.677 -2.016 1.654 173 3HD1 ILE 25 3HD1 ILE 25 7.344 -2.590 1.901 174 H ILE 26 H ILE 26 3.720 -4.821 6.440 175 HA ILE 26 HA ILE 26 6.125 -5.712 7.866 176 HB ILE 26 HB ILE 26 4.902 -6.494 9.675 177 1HG1 ILE 26 1HG1 ILE 26 2.295 -5.942 8.233 178 2HG1 ILE 26 2HG1 ILE 26 3.075 -7.510 8.267 179 1HG2 ILE 26 1HG2 ILE 26 4.086 -4.566 10.650 180 2HG2 ILE 26 2HG2 ILE 26 5.091 -3.917 9.332 181 3HG2 ILE 26 3HG2 ILE 26 3.322 -3.996 9.147 182 1HD1 ILE 26 1HD1 ILE 26 2.890 -7.650 10.686 183 2HD1 ILE 26 2HD1 ILE 26 2.357 -5.955 10.792 184 3HD1 ILE 26 3HD1 ILE 26 1.296 -7.177 10.050 185 H GLY 27 H GLY 27 6.079 -8.189 8.167 186 1HA GLY 27 1HA GLY 27 5.517 -10.290 7.385 187 2HA GLY 27 2HA GLY 27 4.560 -9.581 6.100 188 H GLY 28 H GLY 28 6.792 -11.664 6.088 189 1HA GLY 28 1HA GLY 28 7.898 -11.555 3.750 190 2HA GLY 28 2HA GLY 28 8.827 -10.267 4.491 191 H ARG 29 H ARG 29 10.001 -12.685 3.496 192 HA ARG 29 HA ARG 29 10.836 -13.858 6.027 193 1HB ARG 29 1HB ARG 29 9.573 -15.212 3.948 194 2HB ARG 29 2HB ARG 29 11.261 -15.504 3.581 195 1HG ARG 29 1HG ARG 29 11.633 -16.365 5.887 196 2HG ARG 29 2HG ARG 29 9.965 -16.024 6.300 197 1HD ARG 29 1HD ARG 29 9.662 -18.229 5.696 198 2HD ARG 29 2HD ARG 29 9.537 -17.549 4.086 199 HE ARG 29 HE ARG 29 11.638 -18.459 3.546 200 1HH1 ARG 29 1HH1 ARG 29 11.140 -18.609 7.027 201 2HH1 ARG 29 2HH1 ARG 29 12.530 -19.602 7.311 202 1HH2 ARG 29 1HH2 ARG 29 13.471 -19.770 3.921 203 2HH2 ARG 29 2HH2 ARG 29 13.865 -20.267 5.533 204 HA PRO 30 HA PRO 30 14.748 -12.445 4.650 205 1HB PRO 30 1HB PRO 30 16.290 -13.452 6.669 206 2HB PRO 30 2HB PRO 30 15.407 -11.944 6.798 207 1HG PRO 30 1HG PRO 30 14.780 -14.568 8.006 208 2HG PRO 30 2HG PRO 30 14.177 -12.983 8.450 209 1HD PRO 30 1HD PRO 30 12.774 -15.000 6.970 210 2HD PRO 30 2HD PRO 30 12.217 -13.374 7.314 211 H SER 31 H SER 31 14.096 -14.121 2.864 212 HA SER 31 HA SER 31 15.255 -16.600 2.970 213 1HB SER 31 1HB SER 31 14.847 -14.827 0.520 214 2HB SER 31 2HB SER 31 15.082 -16.564 0.485 215 HG SER 31 HG SER 31 12.765 -15.268 0.712 216 H VAL 32 H VAL 32 17.301 -17.446 2.338 217 HA VAL 32 HA VAL 32 19.309 -15.468 1.553 218 HB VAL 32 HB VAL 32 20.885 -16.397 3.148 219 1HG1 VAL 32 1HG1 VAL 32 18.587 -15.794 4.941 220 2HG1 VAL 32 2HG1 VAL 32 20.212 -15.070 4.869 221 3HG1 VAL 32 3HG1 VAL 32 18.968 -14.583 3.693 222 1HG2 VAL 32 1HG2 VAL 32 19.649 -17.806 5.061 223 2HG2 VAL 32 2HG2 VAL 32 18.657 -18.312 3.672 224 3HG2 VAL 32 3HG2 VAL 32 20.418 -18.575 3.651 225 H ASP 33 H ASP 33 18.793 -16.446 -0.584 226 HA ASP 33 HA ASP 33 19.292 -17.749 -2.242 227 1HB ASP 33 1HB ASP 33 21.388 -18.905 -0.344 228 2HB ASP 33 2HB ASP 33 21.312 -19.278 -2.054 229 H ASN 34 H ASN 34 17.820 -19.354 -2.817 230 HA ASN 34 HA ASN 34 17.988 -21.927 -1.910 231 1HB ASN 34 1HB ASN 34 15.782 -22.038 -0.593 232 2HB ASN 34 2HB ASN 34 17.116 -21.284 0.256 233 1HD2 ASN 34 1HD2 ASN 34 13.937 -21.009 -0.660 234 2HD2 ASN 34 2HD2 ASN 34 13.670 -19.317 -0.402 235 H HIS 35 H HIS 35 17.135 -22.962 -3.721 236 HA HIS 35 HA HIS 35 14.769 -21.738 -4.938 237 1HB HIS 35 1HB HIS 35 15.728 -22.599 -7.140 238 2HB HIS 35 2HB HIS 35 16.447 -21.158 -6.448 239 HD1 HIS 35 HD1 HIS 35 17.266 -24.550 -7.619 240 HD2 HIS 35 HD2 HIS 35 19.028 -21.668 -5.132 241 HE1 HIS 35 HE1 HIS 35 19.714 -25.225 -7.364 242 H ASP 36 H ASP 36 13.683 -23.293 -3.418 243 HA ASP 36 HA ASP 36 12.827 -25.498 -4.794 244 1HB ASP 36 1HB ASP 36 15.263 -25.951 -3.203 245 2HB ASP 36 2HB ASP 36 13.948 -26.976 -2.662 246 H GLY 37 H GLY 37 10.803 -24.708 -3.965 247 1HA GLY 37 1HA GLY 37 9.100 -24.538 -2.509 248 2HA GLY 37 2HA GLY 37 9.947 -25.670 -1.473 249 H SER 38 H SER 38 8.393 -23.062 -0.945 250 HA SER 38 HA SER 38 10.028 -22.193 1.133 251 1HB SER 38 1HB SER 38 10.398 -19.830 0.362 252 2HB SER 38 2HB SER 38 11.326 -21.010 -0.542 253 HG SER 38 HG SER 38 9.226 -20.915 -2.006 254 H SER 39 H SER 39 8.866 -20.663 2.532 255 HA SER 39 HA SER 39 6.094 -20.976 2.310 256 1HB SER 39 1HB SER 39 8.006 -19.656 4.189 257 2HB SER 39 2HB SER 39 6.371 -19.027 4.211 258 HG SER 39 HG SER 39 7.322 -21.633 4.898 259 H SER 40 H SER 40 4.581 -18.925 2.583 260 HA SER 40 HA SER 40 5.576 -16.823 0.831 261 1HB SER 40 1HB SER 40 3.004 -18.408 0.623 262 2HB SER 40 2HB SER 40 3.056 -16.759 0.031 263 HG SER 40 HG SER 40 4.133 -19.072 -1.074 264 H GLU 41 H GLU 41 5.580 -14.947 2.012 265 HA GLU 41 HA GLU 41 3.737 -14.770 4.225 266 1HB GLU 41 1HB GLU 41 6.126 -13.077 3.384 267 2HB GLU 41 2HB GLU 41 5.107 -12.676 4.752 268 1HG GLU 41 1HG GLU 41 6.366 -15.432 4.509 269 2HG GLU 41 2HG GLU 41 7.273 -14.090 5.177 270 H GLY 42 H GLY 42 2.995 -12.258 4.581 271 1HA GLY 42 1HA GLY 42 1.826 -11.389 2.004 272 2HA GLY 42 2HA GLY 42 0.936 -11.415 3.513 273 H ILE 43 H ILE 43 1.190 -9.037 2.013 274 HA ILE 43 HA ILE 43 3.127 -7.515 3.613 275 HB ILE 43 HB ILE 43 1.959 -6.890 0.898 276 1HG1 ILE 43 1HG1 ILE 43 3.473 -8.633 0.525 277 2HG1 ILE 43 2HG1 ILE 43 4.402 -7.181 0.207 278 1HG2 ILE 43 1HG2 ILE 43 3.872 -5.141 0.999 279 2HG2 ILE 43 2HG2 ILE 43 2.338 -4.804 1.836 280 3HG2 ILE 43 3HG2 ILE 43 3.754 -5.358 2.762 281 1HD1 ILE 43 1HD1 ILE 43 4.583 -9.081 2.541 282 2HD1 ILE 43 2HD1 ILE 43 5.887 -8.342 1.581 283 3HD1 ILE 43 3HD1 ILE 43 5.019 -7.374 2.797 284 H PHE 44 H PHE 44 2.357 -6.042 5.048 285 HA PHE 44 HA PHE 44 -0.332 -5.020 4.639 286 1HB PHE 44 1HB PHE 44 0.754 -6.491 7.115 287 2HB PHE 44 2HB PHE 44 -0.744 -5.581 7.130 288 HD1 PHE 44 HD1 PHE 44 0.931 -8.499 5.580 289 HD2 PHE 44 HD2 PHE 44 -2.754 -6.552 6.378 290 HE1 PHE 44 HE1 PHE 44 -0.314 -10.535 4.800 291 HE2 PHE 44 HE2 PHE 44 -3.999 -8.587 5.598 292 HZ PHE 44 HZ PHE 44 -2.764 -10.554 4.819 293 H VAL 45 H VAL 45 -0.740 -3.022 5.768 294 HA VAL 45 HA VAL 45 1.730 -1.638 6.410 295 HB VAL 45 HB VAL 45 -1.120 -0.705 6.016 296 1HG1 VAL 45 1HG1 VAL 45 -0.281 0.961 7.383 297 2HG1 VAL 45 2HG1 VAL 45 1.388 0.753 6.799 298 3HG1 VAL 45 3HG1 VAL 45 0.181 1.567 5.775 299 1HG2 VAL 45 1HG2 VAL 45 1.106 0.054 4.178 300 2HG2 VAL 45 2HG2 VAL 45 0.485 -1.611 4.077 301 3HG2 VAL 45 3HG2 VAL 45 -0.617 -0.234 3.838 302 H SER 46 H SER 46 2.425 -1.340 8.462 303 HA SER 46 HA SER 46 0.404 -1.667 10.541 304 1HB SER 46 1HB SER 46 2.002 -3.526 10.574 305 2HB SER 46 2HB SER 46 3.359 -2.417 10.564 306 HG SER 46 HG SER 46 2.907 -1.772 12.669 307 H LYS 47 H LYS 47 2.046 0.625 8.884 308 HA LYS 47 HA LYS 47 1.955 2.460 11.093 309 1HB LYS 47 1HB LYS 47 4.340 1.209 10.837 310 2HB LYS 47 2HB LYS 47 4.581 2.524 9.703 311 1HG LYS 47 1HG LYS 47 3.371 3.794 11.891 312 2HG LYS 47 2HG LYS 47 4.403 2.599 12.652 313 1HD LYS 47 1HD LYS 47 6.327 3.426 11.216 314 2HD LYS 47 2HD LYS 47 5.278 4.689 10.602 315 1HE LYS 47 1HE LYS 47 5.406 5.924 12.538 316 2HE LYS 47 2HE LYS 47 5.313 4.510 13.569 317 1HZ LYS 47 1HZ LYS 47 7.451 5.237 13.843 318 2HZ LYS 47 2HZ LYS 47 7.662 4.078 12.712 319 3HZ LYS 47 3HZ LYS 47 7.663 5.652 12.278 320 H ILE 48 H ILE 48 1.815 4.656 10.381 321 HA ILE 48 HA ILE 48 2.044 5.179 7.563 322 HB ILE 48 HB ILE 48 -0.635 5.120 8.942 323 1HG1 ILE 48 1HG1 ILE 48 0.496 3.755 6.488 324 2HG1 ILE 48 2HG1 ILE 48 -0.037 3.004 7.979 325 1HG2 ILE 48 1HG2 ILE 48 -0.066 6.323 6.225 326 2HG2 ILE 48 2HG2 ILE 48 -1.603 6.309 7.123 327 3HG2 ILE 48 3HG2 ILE 48 -0.235 7.280 7.717 328 1HD1 ILE 48 1HD1 ILE 48 -1.654 4.068 5.703 329 2HD1 ILE 48 2HD1 ILE 48 -1.978 2.691 6.784 330 3HD1 ILE 48 3HD1 ILE 48 -2.318 4.351 7.330 331 H VAL 49 H VAL 49 2.885 7.185 7.348 332 HA VAL 49 HA VAL 49 3.074 8.816 9.704 333 HB VAL 49 HB VAL 49 4.031 9.239 6.865 334 1HG1 VAL 49 1HG1 VAL 49 4.920 11.208 7.476 335 2HG1 VAL 49 2HG1 VAL 49 3.812 11.133 8.867 336 3HG1 VAL 49 3HG1 VAL 49 5.492 10.568 9.035 337 1HG2 VAL 49 1HG2 VAL 49 4.921 7.422 8.873 338 2HG2 VAL 49 2HG2 VAL 49 5.653 7.771 7.289 339 3HG2 VAL 49 3HG2 VAL 49 6.146 8.705 8.721 340 H ASP 50 H ASP 50 1.612 10.321 10.310 341 HA ASP 50 HA ASP 50 -0.720 10.766 9.108 342 1HB ASP 50 1HB ASP 50 1.012 12.302 10.983 343 2HB ASP 50 2HB ASP 50 -0.198 13.275 10.170 344 H SER 51 H SER 51 1.774 13.412 9.133 345 HA SER 51 HA SER 51 0.751 14.776 7.021 346 1HB SER 51 1HB SER 51 3.080 14.887 8.679 347 2HB SER 51 2HB SER 51 3.641 15.030 7.025 348 HG SER 51 HG SER 51 1.691 16.658 6.909 349 H GLY 52 H GLY 52 2.552 11.777 7.060 350 1HA GLY 52 1HA GLY 52 3.951 11.681 4.740 351 2HA GLY 52 2HA GLY 52 3.027 10.339 5.386 352 HA PRO 53 HA PRO 53 1.115 12.095 1.483 353 1HB PRO 53 1HB PRO 53 2.478 10.875 -0.547 354 2HB PRO 53 2HB PRO 53 2.801 12.517 -0.028 355 1HG PRO 53 1HG PRO 53 4.380 10.069 0.477 356 2HG PRO 53 2HG PRO 53 4.879 11.744 0.608 357 1HD PRO 53 1HD PRO 53 4.223 9.974 2.769 358 2HD PRO 53 2HD PRO 53 4.609 11.679 2.891 359 H ALA 54 H ALA 54 1.677 9.262 3.010 360 HA ALA 54 HA ALA 54 0.048 7.690 1.194 361 1HB ALA 54 1HB ALA 54 1.892 7.219 3.475 362 2HB ALA 54 2HB ALA 54 0.496 6.117 3.382 363 3HB ALA 54 3HB ALA 54 1.617 6.252 2.005 364 H ALA 55 H ALA 55 -0.107 9.425 4.311 365 HA ALA 55 HA ALA 55 -2.779 8.384 4.793 366 1HB ALA 55 1HB ALA 55 -1.611 8.444 6.795 367 2HB ALA 55 2HB ALA 55 -0.697 9.903 6.344 368 3HB ALA 55 3HB ALA 55 -2.402 10.038 6.837 369 H LYS 56 H LYS 56 -1.028 11.377 3.863 370 HA LYS 56 HA LYS 56 -3.107 13.170 4.107 371 1HB LYS 56 1HB LYS 56 -0.492 13.055 2.871 372 2HB LYS 56 2HB LYS 56 -1.611 13.914 1.833 373 1HG LYS 56 1HG LYS 56 -1.857 14.616 4.714 374 2HG LYS 56 2HG LYS 56 -0.302 15.019 4.013 375 1HD LYS 56 1HD LYS 56 -1.182 16.648 2.640 376 2HD LYS 56 2HD LYS 56 -2.640 15.734 2.310 377 1HE LYS 56 1HE LYS 56 -3.489 16.292 4.615 378 2HE LYS 56 2HE LYS 56 -2.047 17.247 4.899 379 1HZ LYS 56 1HZ LYS 56 -4.333 18.094 3.705 380 2HZ LYS 56 2HZ LYS 56 -2.913 18.900 3.750 381 3HZ LYS 56 3HZ LYS 56 -3.279 17.961 2.465 382 H GLU 57 H GLU 57 -2.035 12.134 0.826 383 HA GLU 57 HA GLU 57 -4.854 12.054 0.132 384 1HB GLU 57 1HB GLU 57 -2.319 12.567 -1.442 385 2HB GLU 57 2HB GLU 57 -3.776 12.065 -2.277 386 1HG GLU 57 1HG GLU 57 -3.785 14.397 -0.318 387 2HG GLU 57 2HG GLU 57 -3.367 14.619 -2.005 388 H GLY 58 H GLY 58 -1.915 10.123 0.425 389 1HA GLY 58 1HA GLY 58 -2.051 8.043 -1.192 390 2HA GLY 58 2HA GLY 58 -1.791 7.843 0.529 391 H GLY 59 H GLY 59 -4.066 8.120 1.844 392 1HA GLY 59 1HA GLY 59 -6.333 7.581 1.937 393 2HA GLY 59 2HA GLY 59 -6.224 6.776 0.384 394 H LEU 60 H LEU 60 -3.472 5.940 2.197 395 HA LEU 60 HA LEU 60 -4.380 3.277 2.515 396 1HB LEU 60 1HB LEU 60 -2.013 4.261 2.061 397 2HB LEU 60 2HB LEU 60 -1.920 4.406 3.805 398 HG LEU 60 HG LEU 60 -2.152 2.033 4.103 399 1HD1 LEU 60 1HD1 LEU 60 -2.065 0.800 1.643 400 2HD1 LEU 60 2HD1 LEU 60 -3.499 0.955 2.686 401 3HD1 LEU 60 3HD1 LEU 60 -3.220 2.129 1.378 402 1HD2 LEU 60 1HD2 LEU 60 -0.121 2.958 2.096 403 2HD2 LEU 60 2HD2 LEU 60 0.089 2.493 3.801 404 3HD2 LEU 60 3HD2 LEU 60 -0.196 1.243 2.566 405 H GLN 61 H GLN 61 -4.059 2.121 4.732 406 HA GLN 61 HA GLN 61 -4.624 3.773 6.982 407 1HB GLN 61 1HB GLN 61 -6.805 2.452 5.512 408 2HB GLN 61 2HB GLN 61 -6.752 1.955 7.191 409 1HG GLN 61 1HG GLN 61 -7.020 4.187 7.994 410 2HG GLN 61 2HG GLN 61 -6.537 4.896 6.466 411 1HE2 GLN 61 1HE2 GLN 61 -7.951 3.808 4.571 412 2HE2 GLN 61 2HE2 GLN 61 -9.660 3.981 4.789 413 H ILE 62 H ILE 62 -3.576 2.855 8.698 414 HA ILE 62 HA ILE 62 -2.029 0.688 8.604 415 HB ILE 62 HB ILE 62 -3.630 1.653 10.976 416 1HG1 ILE 62 1HG1 ILE 62 -1.198 2.645 9.578 417 2HG1 ILE 62 2HG1 ILE 62 -2.461 3.529 10.411 418 1HG2 ILE 62 1HG2 ILE 62 -1.965 0.612 12.377 419 2HG2 ILE 62 2HG2 ILE 62 -2.681 -0.613 11.302 420 3HG2 ILE 62 3HG2 ILE 62 -1.064 0.042 10.951 421 1HD1 ILE 62 1HD1 ILE 62 -0.250 1.891 11.735 422 2HD1 ILE 62 2HD1 ILE 62 -0.371 3.667 11.696 423 3HD1 ILE 62 3HD1 ILE 62 -1.565 2.713 12.609 424 H HIS 63 H HIS 63 -2.159 -1.555 9.259 425 HA HIS 63 HA HIS 63 -3.064 -3.553 9.309 426 1HB HIS 63 1HB HIS 63 -5.749 -2.338 9.969 427 2HB HIS 63 2HB HIS 63 -5.151 -3.934 10.379 428 HD1 HIS 63 HD1 HIS 63 -2.699 -3.655 11.914 429 HD2 HIS 63 HD2 HIS 63 -5.686 -0.720 12.152 430 HE1 HIS 63 HE1 HIS 63 -2.300 -2.404 14.102 431 H ASP 64 H ASP 64 -2.667 -2.532 6.826 432 HA ASP 64 HA ASP 64 -5.140 -3.184 5.428 433 1HB ASP 64 1HB ASP 64 -4.571 -1.655 3.767 434 2HB ASP 64 2HB ASP 64 -3.847 -0.878 5.161 435 H ARG 65 H ARG 65 -4.524 -4.123 3.066 436 HA ARG 65 HA ARG 65 -2.182 -5.815 3.333 437 1HB ARG 65 1HB ARG 65 -4.400 -7.024 3.914 438 2HB ARG 65 2HB ARG 65 -4.843 -6.830 2.230 439 1HG ARG 65 1HG ARG 65 -2.685 -8.014 1.588 440 2HG ARG 65 2HG ARG 65 -2.392 -8.312 3.290 441 1HD ARG 65 1HD ARG 65 -4.067 -9.914 3.450 442 2HD ARG 65 2HD ARG 65 -5.099 -9.114 2.281 443 HE ARG 65 HE ARG 65 -2.702 -10.122 1.004 444 1HH1 ARG 65 1HH1 ARG 65 -5.825 -11.133 2.272 445 2HH1 ARG 65 2HH1 ARG 65 -5.939 -12.519 1.239 446 1HH2 ARG 65 1HH2 ARG 65 -2.851 -11.950 -0.359 447 2HH2 ARG 65 2HH2 ARG 65 -4.236 -12.987 -0.267 448 H ILE 66 H ILE 66 -1.131 -4.373 1.800 449 HA ILE 66 HA ILE 66 -2.199 -3.451 -0.545 450 HB ILE 66 HB ILE 66 0.662 -4.322 -0.162 451 1HG1 ILE 66 1HG1 ILE 66 -0.890 -2.131 1.138 452 2HG1 ILE 66 2HG1 ILE 66 0.424 -3.105 1.766 453 1HG2 ILE 66 1HG2 ILE 66 1.171 -2.463 -1.651 454 2HG2 ILE 66 2HG2 ILE 66 0.055 -3.610 -2.430 455 3HG2 ILE 66 3HG2 ILE 66 -0.560 -2.071 -1.781 456 1HD1 ILE 66 1HD1 ILE 66 0.630 -0.808 -0.228 457 2HD1 ILE 66 2HD1 ILE 66 1.292 -0.874 1.423 458 3HD1 ILE 66 3HD1 ILE 66 1.985 -1.900 0.145 459 H ILE 67 H ILE 67 -2.601 -4.257 -2.580 460 HA ILE 67 HA ILE 67 -2.130 -7.139 -2.869 461 HB ILE 67 HB ILE 67 -4.108 -5.651 -4.531 462 1HG1 ILE 67 1HG1 ILE 67 -4.418 -4.915 -2.129 463 2HG1 ILE 67 2HG1 ILE 67 -5.805 -5.660 -2.897 464 1HG2 ILE 67 1HG2 ILE 67 -5.276 -7.970 -3.865 465 2HG2 ILE 67 2HG2 ILE 67 -4.139 -7.808 -5.225 466 3HG2 ILE 67 3HG2 ILE 67 -3.572 -8.442 -3.661 467 1HD1 ILE 67 1HD1 ILE 67 -5.309 -7.818 -1.807 468 2HD1 ILE 67 2HD1 ILE 67 -3.831 -7.131 -1.091 469 3HD1 ILE 67 3HD1 ILE 67 -5.428 -6.529 -0.585 470 H GLU 68 H GLU 68 -1.968 -3.919 -4.477 471 HA GLU 68 HA GLU 68 0.192 -4.967 -6.060 472 1HB GLU 68 1HB GLU 68 -2.391 -4.828 -7.171 473 2HB GLU 68 2HB GLU 68 -1.599 -3.381 -7.764 474 1HG GLU 68 1HG GLU 68 -0.459 -4.624 -9.275 475 2HG GLU 68 2HG GLU 68 0.324 -5.492 -7.970 476 H VAL 69 H VAL 69 1.571 -3.257 -6.949 477 HA VAL 69 HA VAL 69 0.887 -0.561 -6.069 478 HB VAL 69 HB VAL 69 2.400 -2.064 -4.458 479 1HG1 VAL 69 1HG1 VAL 69 4.790 -1.557 -4.821 480 2HG1 VAL 69 2HG1 VAL 69 4.111 -2.552 -6.131 481 3HG1 VAL 69 3HG1 VAL 69 4.386 -0.812 -6.386 482 1HG2 VAL 69 1HG2 VAL 69 2.768 -0.131 -3.328 483 2HG2 VAL 69 2HG2 VAL 69 3.440 0.703 -4.750 484 3HG2 VAL 69 3HG2 VAL 69 1.677 0.541 -4.564 485 H ASN 70 H ASN 70 1.032 0.712 -7.836 486 HA ASN 70 HA ASN 70 1.671 1.526 -9.740 487 1HB ASN 70 1HB ASN 70 3.995 1.344 -8.407 488 2HB ASN 70 2HB ASN 70 4.367 0.138 -9.624 489 1HD2 ASN 70 1HD2 ASN 70 4.346 3.389 -8.849 490 2HD2 ASN 70 2HD2 ASN 70 4.618 4.086 -10.411 491 H GLY 71 H GLY 71 0.805 -1.480 -9.344 492 1HA GLY 71 1HA GLY 71 0.000 -2.803 -11.115 493 2HA GLY 71 2HA GLY 71 1.335 -2.282 -12.123 494 H ARG 72 H ARG 72 2.701 -2.749 -9.107 495 HA ARG 72 HA ARG 72 3.639 -5.339 -9.944 496 1HB ARG 72 1HB ARG 72 4.813 -3.076 -8.644 497 2HB ARG 72 2HB ARG 72 4.831 -4.367 -7.459 498 1HG ARG 72 1HG ARG 72 5.632 -5.653 -9.826 499 2HG ARG 72 2HG ARG 72 6.402 -4.084 -9.941 500 1HD ARG 72 1HD ARG 72 7.410 -4.385 -7.686 501 2HD ARG 72 2HD ARG 72 6.590 -5.923 -7.504 502 HE ARG 72 HE ARG 72 8.145 -5.899 -9.942 503 1HH1 ARG 72 1HH1 ARG 72 8.461 -6.184 -6.449 504 2HH1 ARG 72 2HH1 ARG 72 9.929 -7.099 -6.528 505 1HH2 ARG 72 1HH2 ARG 72 10.083 -7.106 -10.047 506 2HH2 ARG 72 2HH2 ARG 72 10.858 -7.627 -8.588 507 H ASP 73 H ASP 73 3.028 -7.242 -8.923 508 HA ASP 73 HA ASP 73 1.076 -7.018 -6.866 509 1HB ASP 73 1HB ASP 73 1.143 -8.735 -8.798 510 2HB ASP 73 2HB ASP 73 2.416 -9.549 -7.911 511 H LEU 74 H LEU 74 1.512 -7.205 -4.650 512 HA LEU 74 HA LEU 74 4.113 -8.353 -3.916 513 1HB LEU 74 1HB LEU 74 2.817 -6.098 -2.411 514 2HB LEU 74 2HB LEU 74 4.462 -6.692 -2.300 515 HG LEU 74 HG LEU 74 3.327 -5.293 -4.736 516 1HD1 LEU 74 1HD1 LEU 74 5.291 -3.971 -2.912 517 2HD1 LEU 74 2HD1 LEU 74 4.057 -3.263 -3.982 518 3HD1 LEU 74 3HD1 LEU 74 3.575 -4.008 -2.438 519 1HD2 LEU 74 1HD2 LEU 74 5.155 -6.016 -5.762 520 2HD2 LEU 74 2HD2 LEU 74 6.128 -5.056 -4.621 521 3HD2 LEU 74 3HD2 LEU 74 5.762 -6.761 -4.264 522 H SER 75 H SER 75 0.867 -8.867 -3.993 523 HA SER 75 HA SER 75 0.058 -9.349 -1.462 524 1HB SER 75 1HB SER 75 -1.570 -9.634 -3.133 525 2HB SER 75 2HB SER 75 -0.538 -10.652 -4.118 526 HG SER 75 HG SER 75 -2.388 -11.670 -2.813 527 H ARG 76 H ARG 76 2.190 -11.323 -3.572 528 HA ARG 76 HA ARG 76 2.491 -13.157 -1.333 529 1HB ARG 76 1HB ARG 76 3.295 -14.817 -3.019 530 2HB ARG 76 2HB ARG 76 1.677 -14.257 -3.395 531 1HG ARG 76 1HG ARG 76 2.584 -12.655 -5.058 532 2HG ARG 76 2HG ARG 76 4.223 -13.115 -4.641 533 1HD ARG 76 1HD ARG 76 2.565 -15.461 -5.314 534 2HD ARG 76 2HD ARG 76 2.617 -14.301 -6.627 535 HE ARG 76 HE ARG 76 5.246 -14.845 -5.441 536 1HH1 ARG 76 1HH1 ARG 76 2.903 -15.843 -7.870 537 2HH1 ARG 76 2HH1 ARG 76 4.079 -16.637 -8.862 538 1HH2 ARG 76 1HH2 ARG 76 6.798 -15.893 -6.750 539 2HH2 ARG 76 2HH2 ARG 76 6.310 -16.666 -8.221 540 H ALA 77 H ALA 77 3.818 -10.449 -1.912 541 HA ALA 77 HA ALA 77 6.575 -11.316 -2.350 542 1HB ALA 77 1HB ALA 77 5.265 -8.568 -2.268 543 2HB ALA 77 2HB ALA 77 6.993 -8.866 -2.569 544 3HB ALA 77 3HB ALA 77 5.774 -9.458 -3.722 545 H THR 78 H THR 78 8.145 -9.770 -0.908 546 HA THR 78 HA THR 78 7.171 -10.064 1.859 547 HB THR 78 HB THR 78 9.291 -10.945 2.437 548 HG1 THR 78 HG1 THR 78 10.202 -9.941 -0.160 549 1HG2 THR 78 1HG2 THR 78 8.267 -12.572 0.839 550 2HG2 THR 78 2HG2 THR 78 8.994 -11.685 -0.522 551 3HG2 THR 78 3HG2 THR 78 10.036 -12.529 0.648 552 H HIS 79 H HIS 79 8.936 -8.705 3.315 553 HA HIS 79 HA HIS 79 8.213 -6.054 2.783 554 1HB HIS 79 1HB HIS 79 8.699 -7.161 5.021 555 2HB HIS 79 2HB HIS 79 10.403 -6.994 4.647 556 HD1 HIS 79 HD1 HIS 79 11.479 -4.689 4.954 557 HD2 HIS 79 HD2 HIS 79 7.311 -4.656 5.428 558 HE1 HIS 79 HE1 HIS 79 10.885 -2.395 5.898 559 H ASP 80 H ASP 80 11.074 -8.035 2.013 560 HA ASP 80 HA ASP 80 12.766 -5.920 1.410 561 1HB ASP 80 1HB ASP 80 12.735 -8.811 1.191 562 2HB ASP 80 2HB ASP 80 13.323 -8.150 -0.322 563 H GLN 81 H GLN 81 10.628 -8.054 -0.624 564 HA GLN 81 HA GLN 81 11.229 -6.692 -3.002 565 1HB GLN 81 1HB GLN 81 9.003 -8.612 -2.214 566 2HB GLN 81 2HB GLN 81 9.150 -7.966 -3.836 567 1HG GLN 81 1HG GLN 81 11.758 -8.848 -3.223 568 2HG GLN 81 2HG GLN 81 10.725 -10.077 -2.522 569 1HE2 GLN 81 1HE2 GLN 81 10.290 -11.692 -3.796 570 2HE2 GLN 81 2HE2 GLN 81 10.124 -11.665 -5.520 571 H ALA 82 H ALA 82 8.491 -6.564 -0.643 572 HA ALA 82 HA ALA 82 6.861 -4.822 -2.027 573 1HB ALA 82 1HB ALA 82 7.330 -5.028 0.975 574 2HB ALA 82 2HB ALA 82 5.891 -4.347 0.180 575 3HB ALA 82 3HB ALA 82 6.257 -6.082 0.024 576 H VAL 83 H VAL 83 9.477 -4.091 0.386 577 HA VAL 83 HA VAL 83 9.236 -1.339 0.280 578 HB VAL 83 HB VAL 83 11.558 -3.185 0.831 579 1HG1 VAL 83 1HG1 VAL 83 12.446 -1.023 0.065 580 2HG1 VAL 83 2HG1 VAL 83 11.443 -0.181 1.271 581 3HG1 VAL 83 3HG1 VAL 83 12.745 -1.272 1.802 582 1HG2 VAL 83 1HG2 VAL 83 10.852 -3.235 2.971 583 2HG2 VAL 83 2HG2 VAL 83 10.419 -1.509 2.975 584 3HG2 VAL 83 3HG2 VAL 83 9.292 -2.707 2.294 585 H GLU 84 H GLU 84 11.464 -3.514 -1.597 586 HA GLU 84 HA GLU 84 12.647 -1.569 -3.077 587 1HB GLU 84 1HB GLU 84 13.346 -3.947 -3.042 588 2HB GLU 84 2HB GLU 84 11.908 -4.403 -3.933 589 1HG GLU 84 1HG GLU 84 12.706 -3.568 -5.941 590 2HG GLU 84 2HG GLU 84 13.559 -2.240 -5.179 591 H ALA 85 H ALA 85 9.482 -3.199 -3.572 592 HA ALA 85 HA ALA 85 8.954 -2.293 -6.134 593 1HB ALA 85 1HB ALA 85 7.684 -3.801 -4.184 594 2HB ALA 85 2HB ALA 85 6.635 -2.369 -4.321 595 3HB ALA 85 3HB ALA 85 6.991 -3.353 -5.761 596 H PHE 86 H PHE 86 8.061 -0.815 -2.934 597 HA PHE 86 HA PHE 86 6.947 1.483 -4.087 598 1HB PHE 86 1HB PHE 86 8.062 0.582 -1.396 599 2HB PHE 86 2HB PHE 86 7.634 2.270 -1.588 600 HD1 PHE 86 HD1 PHE 86 6.398 -1.065 -1.050 601 HD2 PHE 86 HD2 PHE 86 5.258 2.868 -2.165 602 HE1 PHE 86 HE1 PHE 86 4.003 -1.613 -0.536 603 HE2 PHE 86 HE2 PHE 86 2.864 2.320 -1.651 604 HZ PHE 86 HZ PHE 86 2.264 0.086 -0.843 605 H LYS 87 H LYS 87 10.267 0.502 -3.377 606 HA LYS 87 HA LYS 87 11.297 3.167 -3.369 607 1HB LYS 87 1HB LYS 87 12.528 1.636 -2.094 608 2HB LYS 87 2HB LYS 87 12.484 0.400 -3.336 609 1HG LYS 87 1HG LYS 87 13.973 1.752 -4.784 610 2HG LYS 87 2HG LYS 87 13.957 3.062 -3.619 611 1HD LYS 87 1HD LYS 87 14.868 0.278 -2.806 612 2HD LYS 87 2HD LYS 87 15.974 1.384 -3.597 613 1HE LYS 87 1HE LYS 87 15.088 3.092 -1.727 614 2HE LYS 87 2HE LYS 87 14.680 1.616 -0.876 615 1HZ LYS 87 1HZ LYS 87 17.009 2.635 -0.640 616 2HZ LYS 87 2HZ LYS 87 16.860 1.012 -0.747 617 3HZ LYS 87 3HZ LYS 87 17.329 1.877 -2.050 618 H THR 88 H THR 88 11.170 0.418 -5.721 619 HA THR 88 HA THR 88 12.329 2.094 -7.776 620 HB THR 88 HB THR 88 12.101 -0.038 -9.099 621 HG1 THR 88 HG1 THR 88 10.246 -0.990 -8.211 622 1HG2 THR 88 1HG2 THR 88 14.130 -0.196 -7.898 623 2HG2 THR 88 2HG2 THR 88 13.313 -0.084 -6.320 624 3HG2 THR 88 3HG2 THR 88 13.241 -1.597 -7.255 625 H ALA 89 H ALA 89 9.288 1.841 -6.371 626 HA ALA 89 HA ALA 89 7.697 1.902 -8.719 627 1HB ALA 89 1HB ALA 89 7.296 2.479 -5.780 628 2HB ALA 89 2HB ALA 89 6.017 2.858 -6.958 629 3HB ALA 89 3HB ALA 89 6.593 1.184 -6.778 630 H LYS 90 H LYS 90 6.759 3.687 -9.794 631 HA LYS 90 HA LYS 90 8.103 6.227 -9.196 632 1HB LYS 90 1HB LYS 90 7.386 4.833 -11.731 633 2HB LYS 90 2HB LYS 90 7.226 6.577 -11.713 634 1HG LYS 90 1HG LYS 90 9.747 5.139 -10.771 635 2HG LYS 90 2HG LYS 90 9.521 5.674 -12.424 636 1HD LYS 90 1HD LYS 90 9.157 8.026 -11.577 637 2HD LYS 90 2HD LYS 90 9.481 7.466 -9.949 638 1HE LYS 90 1HE LYS 90 11.496 6.930 -12.154 639 2HE LYS 90 2HE LYS 90 11.444 8.505 -11.387 640 1HZ LYS 90 1HZ LYS 90 11.365 6.428 -9.479 641 2HZ LYS 90 2HZ LYS 90 12.684 6.293 -10.431 642 3HZ LYS 90 3HZ LYS 90 12.412 7.675 -9.604 643 H GLU 91 H GLU 91 6.821 8.208 -9.433 644 HA GLU 91 HA GLU 91 4.138 7.700 -8.512 645 1HB GLU 91 1HB GLU 91 5.557 10.383 -8.752 646 2HB GLU 91 2HB GLU 91 4.138 10.019 -7.790 647 1HG GLU 91 1HG GLU 91 5.380 9.177 -6.071 648 2HG GLU 91 2HG GLU 91 6.374 8.215 -7.147 649 HA PRO 92 HA PRO 92 2.444 8.757 -8.332 650 1HB PRO 92 1HB PRO 92 -0.123 8.121 -9.023 651 2HB PRO 92 2HB PRO 92 0.422 9.767 -8.771 652 1HG PRO 92 1HG PRO 92 -0.151 8.374 -11.315 653 2HG PRO 92 2HG PRO 92 -0.024 10.095 -11.010 654 1HD PRO 92 1HD PRO 92 1.943 8.424 -12.262 655 2HD PRO 92 2HD PRO 92 2.115 10.119 -11.853 656 H ILE 93 H ILE 93 2.119 7.043 -6.921 657 HA ILE 93 HA ILE 93 2.581 4.499 -8.278 658 HB ILE 93 HB ILE 93 2.886 5.289 -5.378 659 1HG1 ILE 93 1HG1 ILE 93 5.156 4.651 -7.242 660 2HG1 ILE 93 2HG1 ILE 93 4.459 6.259 -7.243 661 1HG2 ILE 93 1HG2 ILE 93 3.771 3.167 -4.943 662 2HG2 ILE 93 2HG2 ILE 93 2.326 2.849 -5.932 663 3HG2 ILE 93 3HG2 ILE 93 3.943 2.779 -6.672 664 1HD1 ILE 93 1HD1 ILE 93 5.074 5.072 -4.556 665 2HD1 ILE 93 2HD1 ILE 93 6.457 5.553 -5.568 666 3HD1 ILE 93 3HD1 ILE 93 5.225 6.755 -5.116 667 H VAL 94 H VAL 94 0.805 3.336 -8.771 668 HA VAL 94 HA VAL 94 -1.630 3.816 -7.299 669 HB VAL 94 HB VAL 94 -1.716 3.653 -9.695 670 1HG1 VAL 94 1HG1 VAL 94 -0.198 1.105 -9.250 671 2HG1 VAL 94 2HG1 VAL 94 -1.290 1.227 -10.650 672 3HG1 VAL 94 3HG1 VAL 94 0.049 2.385 -10.462 673 1HG2 VAL 94 1HG2 VAL 94 -3.752 2.797 -9.387 674 2HG2 VAL 94 2HG2 VAL 94 -3.052 1.164 -9.506 675 3HG2 VAL 94 3HG2 VAL 94 -3.213 1.950 -7.917 676 H VAL 95 H VAL 95 -1.958 2.832 -5.375 677 HA VAL 95 HA VAL 95 -0.914 0.096 -5.109 678 HB VAL 95 HB VAL 95 -1.493 1.681 -2.684 679 1HG1 VAL 95 1HG1 VAL 95 0.144 -0.572 -3.530 680 2HG1 VAL 95 2HG1 VAL 95 1.088 0.608 -2.589 681 3HG1 VAL 95 3HG1 VAL 95 -0.392 -0.101 -1.900 682 1HG2 VAL 95 1HG2 VAL 95 0.781 2.400 -4.557 683 2HG2 VAL 95 2HG2 VAL 95 -0.498 3.467 -3.929 684 3HG2 VAL 95 3HG2 VAL 95 0.749 2.829 -2.830 685 H GLN 96 H GLN 96 -2.278 -1.460 -4.080 686 HA GLN 96 HA GLN 96 -5.012 -0.535 -3.705 687 1HB GLN 96 1HB GLN 96 -5.139 -1.568 -5.840 688 2HB GLN 96 2HB GLN 96 -4.030 -2.850 -5.396 689 1HG GLN 96 1HG GLN 96 -5.671 -4.111 -4.386 690 2HG GLN 96 2HG GLN 96 -6.474 -2.713 -3.700 691 1HE2 GLN 96 1HE2 GLN 96 -8.251 -1.951 -4.609 692 2HE2 GLN 96 2HE2 GLN 96 -8.918 -2.434 -6.133 693 H VAL 97 H VAL 97 -6.158 -1.547 -1.997 694 HA VAL 97 HA VAL 97 -4.645 -3.583 -0.523 695 HB VAL 97 HB VAL 97 -5.350 -2.485 1.565 696 1HG1 VAL 97 1HG1 VAL 97 -3.128 -2.023 0.963 697 2HG1 VAL 97 2HG1 VAL 97 -3.613 -0.976 -0.393 698 3HG1 VAL 97 3HG1 VAL 97 -3.831 -0.419 1.284 699 1HG2 VAL 97 1HG2 VAL 97 -7.202 -1.179 1.219 700 2HG2 VAL 97 2HG2 VAL 97 -5.941 0.076 1.151 701 3HG2 VAL 97 3HG2 VAL 97 -6.627 -0.579 -0.355 702 H LEU 98 H LEU 98 -6.127 -4.770 1.076 703 HA LEU 98 HA LEU 98 -8.762 -5.053 -0.192 704 1HB LEU 98 1HB LEU 98 -6.765 -7.010 0.816 705 2HB LEU 98 2HB LEU 98 -8.457 -7.387 1.075 706 HG LEU 98 HG LEU 98 -7.227 -6.767 -1.625 707 1HD1 LEU 98 1HD1 LEU 98 -8.078 -9.481 -0.603 708 2HD1 LEU 98 2HD1 LEU 98 -7.189 -9.088 -2.094 709 3HD1 LEU 98 3HD1 LEU 98 -6.405 -8.881 -0.509 710 1HD2 LEU 98 1HD2 LEU 98 -9.329 -6.470 -2.283 711 2HD2 LEU 98 2HD2 LEU 98 -9.597 -8.200 -1.963 712 3HD2 LEU 98 3HD2 LEU 98 -9.970 -6.995 -0.707 713 H ARG 99 H ARG 99 -10.398 -4.244 0.994 714 HA ARG 99 HA ARG 99 -10.000 -4.280 3.879 715 1HB ARG 99 1HB ARG 99 -11.462 -2.292 2.083 716 2HB ARG 99 2HB ARG 99 -11.735 -2.336 3.814 717 1HG ARG 99 1HG ARG 99 -9.031 -2.269 3.860 718 2HG ARG 99 2HG ARG 99 -9.268 -1.511 2.298 719 1HD ARG 99 1HD ARG 99 -9.962 0.438 3.252 720 2HD ARG 99 2HD ARG 99 -11.135 -0.392 4.256 721 HE ARG 99 HE ARG 99 -8.339 -0.678 5.146 722 1HH1 ARG 99 1HH1 ARG 99 -11.329 1.157 5.426 723 2HH1 ARG 99 2HH1 ARG 99 -10.925 1.824 6.972 724 1HH2 ARG 99 1HH2 ARG 99 -7.805 0.202 7.187 725 2HH2 ARG 99 2HH2 ARG 99 -8.907 1.277 7.981 726 H ARG 100 H ARG 100 -11.736 -5.058 5.186 727 HA ARG 100 HA ARG 100 -13.247 -7.036 4.285 728 1HB ARG 100 1HB ARG 100 -14.830 -6.484 6.247 729 2HB ARG 100 2HB ARG 100 -13.133 -6.649 6.654 730 1HG ARG 100 1HG ARG 100 -13.335 -4.605 7.640 731 2HG ARG 100 2HG ARG 100 -13.288 -3.952 6.014 732 1HD ARG 100 1HD ARG 100 -15.975 -4.750 6.338 733 2HD ARG 100 2HD ARG 100 -15.546 -4.086 7.901 734 HE ARG 100 HE ARG 100 -14.540 -2.276 5.978 735 1HH1 ARG 100 1HH1 ARG 100 -17.676 -3.518 6.982 736 2HH1 ARG 100 2HH1 ARG 100 -18.533 -2.086 6.520 737 1HH2 ARG 100 1HH2 ARG 100 -15.671 -0.387 5.368 738 2HH2 ARG 100 2HH2 ARG 100 -17.385 -0.293 5.596 739 H THR 101 H THR 101 -15.780 -7.147 4.152 740 HA THR 101 HA THR 101 -16.631 -5.636 1.973 741 HB THR 101 HB THR 101 -18.841 -6.697 2.537 742 HG1 THR 101 HG1 THR 101 -17.442 -7.843 4.800 743 1HG2 THR 101 1HG2 THR 101 -16.272 -8.279 2.666 744 2HG2 THR 101 2HG2 THR 101 -17.777 -9.110 3.128 745 3HG2 THR 101 3HG2 THR 101 -17.613 -8.404 1.502 746 H SER 102 H SER 102 -17.712 -3.749 1.677 747 HA SER 102 HA SER 102 -18.279 -2.297 4.144 748 1HB SER 102 1HB SER 102 -16.418 -1.280 2.910 749 2HB SER 102 2HB SER 102 -17.358 -1.252 1.431 750 HG SER 102 HG SER 102 -17.278 0.598 3.437 751 H GLY 103 H GLY 103 -19.145 -2.444 0.606 752 1HA GLY 103 1HA GLY 103 -21.232 -2.707 -0.302 753 2HA GLY 103 2HA GLY 103 -21.964 -2.558 1.284 754 HA PRO 104 HA PRO 104 -22.709 1.392 -0.776 755 1HB PRO 104 1HB PRO 104 -25.389 1.550 -0.263 756 2HB PRO 104 2HB PRO 104 -24.735 0.880 -1.745 757 1HG PRO 104 1HG PRO 104 -25.911 -0.536 0.568 758 2HG PRO 104 2HG PRO 104 -25.649 -1.124 -1.062 759 1HD PRO 104 1HD PRO 104 -24.078 -1.739 1.257 760 2HD PRO 104 2HD PRO 104 -23.750 -2.232 -0.392 761 H SER 105 H SER 105 -21.304 2.335 0.760 762 HA SER 105 HA SER 105 -22.673 4.052 2.437 763 1HB SER 105 1HB SER 105 -22.109 1.434 3.602 764 2HB SER 105 2HB SER 105 -21.248 2.685 4.477 765 HG SER 105 HG SER 105 -23.568 3.795 4.230 766 H SER 106 H SER 106 -21.108 5.434 3.719 767 HA SER 106 HA SER 106 -19.320 6.675 3.719 768 1HB SER 106 1HB SER 106 -18.170 3.884 3.862 769 2HB SER 106 2HB SER 106 -17.072 5.248 3.777 770 HG SER 106 HG SER 106 -18.284 6.158 5.654 771 H GLY 107 H GLY 107 -19.348 7.852 1.781 772 1HA GLY 107 1HA GLY 107 -17.552 6.858 -0.321 773 2HA GLY 107 2HA GLY 107 -19.194 7.293 -0.751 Start of MODEL 15 1 1H GLY 1 1H GLY 1 -12.052 -17.867 7.456 2 1HA GLY 1 1HA GLY 1 -10.229 -17.111 8.858 3 2HA GLY 1 2HA GLY 1 -9.105 -17.740 7.670 4 H SER 2 H SER 2 -11.826 -15.375 8.046 5 HA SER 2 HA SER 2 -10.382 -13.277 7.032 6 1HB SER 2 1HB SER 2 -11.445 -12.963 4.793 7 2HB SER 2 2HB SER 2 -10.418 -14.381 4.856 8 HG SER 2 HG SER 2 -13.120 -14.833 5.544 9 H SER 3 H SER 3 -12.005 -11.378 6.374 10 HA SER 3 HA SER 3 -14.016 -11.434 8.397 11 1HB SER 3 1HB SER 3 -12.407 -9.466 7.602 12 2HB SER 3 2HB SER 3 -13.677 -9.162 6.434 13 HG SER 3 HG SER 3 -14.192 -7.919 8.231 14 H GLY 4 H GLY 4 -15.800 -12.687 7.815 15 1HA GLY 4 1HA GLY 4 -17.792 -13.067 6.815 16 2HA GLY 4 2HA GLY 4 -17.549 -11.657 5.803 17 H SER 5 H SER 5 -16.638 -11.860 3.713 18 HA SER 5 HA SER 5 -15.324 -14.166 2.882 19 1HB SER 5 1HB SER 5 -17.633 -15.135 3.084 20 2HB SER 5 2HB SER 5 -18.216 -13.950 1.932 21 HG SER 5 HG SER 5 -16.238 -16.010 1.447 22 H SER 6 H SER 6 -13.912 -13.131 1.517 23 HA SER 6 HA SER 6 -13.117 -11.816 -0.015 24 1HB SER 6 1HB SER 6 -15.789 -12.572 -1.121 25 2HB SER 6 2HB SER 6 -15.004 -11.214 -1.902 26 HG SER 6 HG SER 6 -14.547 -13.652 -2.538 27 H GLY 7 H GLY 7 -12.704 -9.924 1.197 28 1HA GLY 7 1HA GLY 7 -14.678 -8.083 1.994 29 2HA GLY 7 2HA GLY 7 -12.950 -7.807 1.912 30 H LYS 8 H LYS 8 -12.331 -6.182 0.563 31 HA LYS 8 HA LYS 8 -13.509 -6.000 -2.051 32 1HB LYS 8 1HB LYS 8 -14.687 -4.497 0.021 33 2HB LYS 8 2HB LYS 8 -13.692 -3.361 -0.867 34 1HG LYS 8 1HG LYS 8 -15.396 -3.254 -2.372 35 2HG LYS 8 2HG LYS 8 -14.871 -4.834 -2.921 36 1HD LYS 8 1HD LYS 8 -16.375 -5.797 -1.017 37 2HD LYS 8 2HD LYS 8 -17.069 -4.191 -0.916 38 1HE LYS 8 1HE LYS 8 -18.455 -4.757 -2.623 39 2HE LYS 8 2HE LYS 8 -17.060 -4.763 -3.684 40 1HZ LYS 8 1HZ LYS 8 -16.710 -7.071 -3.110 41 2HZ LYS 8 2HZ LYS 8 -18.009 -7.065 -2.121 42 3HZ LYS 8 3HZ LYS 8 -18.206 -6.858 -3.729 43 H SER 9 H SER 9 -12.282 -4.499 -3.445 44 HA SER 9 HA SER 9 -9.624 -4.088 -2.317 45 1HB SER 9 1HB SER 9 -8.682 -4.538 -4.472 46 2HB SER 9 2HB SER 9 -9.869 -5.796 -4.194 47 HG SER 9 HG SER 9 -11.311 -4.807 -5.620 48 H LEU 10 H LEU 10 -8.910 -1.980 -2.207 49 HA LEU 10 HA LEU 10 -10.381 -0.024 -3.833 50 1HB LEU 10 1HB LEU 10 -9.072 0.741 -1.266 51 2HB LEU 10 2HB LEU 10 -10.438 1.465 -2.092 52 HG LEU 10 HG LEU 10 -10.521 -1.203 -0.656 53 1HD1 LEU 10 1HD1 LEU 10 -11.369 1.553 0.268 54 2HD1 LEU 10 2HD1 LEU 10 -11.843 0.033 1.065 55 3HD1 LEU 10 3HD1 LEU 10 -10.127 0.498 0.983 56 1HD2 LEU 10 1HD2 LEU 10 -12.147 -0.707 -2.594 57 2HD2 LEU 10 2HD2 LEU 10 -12.816 -1.273 -1.045 58 3HD2 LEU 10 3HD2 LEU 10 -12.899 0.453 -1.473 59 H THR 11 H THR 11 -9.108 1.880 -4.519 60 HA THR 11 HA THR 11 -6.286 1.122 -4.887 61 HB THR 11 HB THR 11 -7.747 3.118 -6.628 62 HG1 THR 11 HG1 THR 11 -9.216 1.347 -6.546 63 1HG2 THR 11 1HG2 THR 11 -6.468 1.778 -8.396 64 2HG2 THR 11 2HG2 THR 11 -5.427 2.640 -7.238 65 3HG2 THR 11 3HG2 THR 11 -5.695 0.889 -7.062 66 H LEU 12 H LEU 12 -4.641 2.556 -4.438 67 HA LEU 12 HA LEU 12 -5.454 5.169 -3.421 68 1HB LEU 12 1HB LEU 12 -3.361 4.094 -1.776 69 2HB LEU 12 2HB LEU 12 -4.905 4.786 -1.321 70 HG LEU 12 HG LEU 12 -5.630 2.271 -2.203 71 1HD1 LEU 12 1HD1 LEU 12 -2.808 2.200 -1.399 72 2HD1 LEU 12 2HD1 LEU 12 -3.840 1.042 -0.526 73 3HD1 LEU 12 3HD1 LEU 12 -3.781 1.017 -2.305 74 1HD2 LEU 12 1HD2 LEU 12 -5.209 2.042 0.570 75 2HD2 LEU 12 2HD2 LEU 12 -5.537 3.764 0.260 76 3HD2 LEU 12 3HD2 LEU 12 -6.698 2.527 -0.276 77 H VAL 13 H VAL 13 -4.083 6.802 -4.037 78 HA VAL 13 HA VAL 13 -1.812 5.950 -5.666 79 HB VAL 13 HB VAL 13 -3.392 8.517 -5.472 80 1HG1 VAL 13 1HG1 VAL 13 -1.982 9.527 -7.078 81 2HG1 VAL 13 2HG1 VAL 13 -0.882 8.819 -5.870 82 3HG1 VAL 13 3HG1 VAL 13 -1.142 7.997 -7.428 83 1HG2 VAL 13 1HG2 VAL 13 -3.748 7.908 -7.964 84 2HG2 VAL 13 2HG2 VAL 13 -3.208 6.280 -7.490 85 3HG2 VAL 13 3HG2 VAL 13 -4.650 6.995 -6.730 86 H LEU 14 H LEU 14 0.165 5.947 -4.743 87 HA LEU 14 HA LEU 14 0.546 7.700 -2.426 88 1HB LEU 14 1HB LEU 14 2.072 5.238 -3.286 89 2HB LEU 14 2HB LEU 14 2.401 6.201 -1.859 90 HG LEU 14 HG LEU 14 -0.060 4.525 -2.405 91 1HD1 LEU 14 1HD1 LEU 14 1.571 4.151 0.039 92 2HD1 LEU 14 2HD1 LEU 14 0.786 2.957 -1.022 93 3HD1 LEU 14 3HD1 LEU 14 2.339 3.684 -1.498 94 1HD2 LEU 14 1HD2 LEU 14 -0.705 6.621 -1.296 95 2HD2 LEU 14 2HD2 LEU 14 -0.905 5.210 -0.229 96 3HD2 LEU 14 3HD2 LEU 14 0.484 6.302 -0.010 97 H HIS 15 H HIS 15 2.591 8.881 -2.239 98 HA HIS 15 HA HIS 15 3.904 9.266 -4.819 99 1HB HIS 15 1HB HIS 15 3.068 11.527 -2.984 100 2HB HIS 15 2HB HIS 15 3.890 11.674 -4.525 101 HD1 HIS 15 HD1 HIS 15 2.442 10.855 -6.694 102 HD2 HIS 15 HD2 HIS 15 0.315 11.508 -3.138 103 HE1 HIS 15 HE1 HIS 15 -0.013 11.071 -7.358 104 H ARG 16 H ARG 16 6.001 10.699 -4.408 105 HA ARG 16 HA ARG 16 7.152 9.707 -1.923 106 1HB ARG 16 1HB ARG 16 8.377 9.928 -4.710 107 2HB ARG 16 2HB ARG 16 9.374 9.750 -3.280 108 1HG ARG 16 1HG ARG 16 7.487 7.742 -2.905 109 2HG ARG 16 2HG ARG 16 7.661 7.745 -4.649 110 1HD ARG 16 1HD ARG 16 9.401 6.299 -4.088 111 2HD ARG 16 2HD ARG 16 10.275 7.818 -4.082 112 HE ARG 16 HE ARG 16 9.352 7.653 -1.487 113 1HH1 ARG 16 1HH1 ARG 16 11.137 5.432 -3.553 114 2HH1 ARG 16 2HH1 ARG 16 11.966 4.672 -2.236 115 1HH2 ARG 16 1HH2 ARG 16 10.446 6.650 0.251 116 2HH2 ARG 16 2HH2 ARG 16 11.571 5.369 -0.058 117 H ASP 17 H ASP 17 7.224 11.534 -0.614 118 HA ASP 17 HA ASP 17 7.469 14.103 -1.673 119 1HB ASP 17 1HB ASP 17 6.445 14.017 0.442 120 2HB ASP 17 2HB ASP 17 7.592 12.849 1.067 121 H SER 18 H SER 18 9.708 12.093 0.401 122 HA SER 18 HA SER 18 11.931 12.999 -1.148 123 1HB SER 18 1HB SER 18 11.448 13.929 1.685 124 2HB SER 18 2HB SER 18 13.095 13.634 1.164 125 HG SER 18 HG SER 18 11.327 15.259 -0.425 126 H GLY 19 H GLY 19 11.575 10.561 -1.464 127 1HA GLY 19 1HA GLY 19 12.236 8.443 -1.113 128 2HA GLY 19 2HA GLY 19 13.515 9.094 -0.107 129 H SER 20 H SER 20 9.890 9.027 0.214 130 HA SER 20 HA SER 20 9.978 7.141 2.279 131 1HB SER 20 1HB SER 20 10.896 9.253 3.426 132 2HB SER 20 2HB SER 20 9.307 9.962 3.210 133 HG SER 20 HG SER 20 8.402 8.192 4.456 134 H LEU 21 H LEU 21 8.192 6.095 1.418 135 HA LEU 21 HA LEU 21 6.117 7.287 0.074 136 1HB LEU 21 1HB LEU 21 6.394 4.709 1.588 137 2HB LEU 21 2HB LEU 21 4.868 5.153 0.851 138 HG LEU 21 HG LEU 21 6.264 3.633 -0.533 139 1HD1 LEU 21 1HD1 LEU 21 5.996 4.886 -2.657 140 2HD1 LEU 21 2HD1 LEU 21 4.560 4.956 -1.607 141 3HD1 LEU 21 3HD1 LEU 21 5.654 6.356 -1.712 142 1HD2 LEU 21 1HD2 LEU 21 8.224 4.562 -1.723 143 2HD2 LEU 21 2HD2 LEU 21 8.133 6.013 -0.696 144 3HD2 LEU 21 3HD2 LEU 21 8.475 4.426 0.034 145 H GLY 22 H GLY 22 6.697 6.948 3.570 146 1HA GLY 22 1HA GLY 22 5.763 8.506 5.070 147 2HA GLY 22 2HA GLY 22 4.363 8.679 4.031 148 H PHE 23 H PHE 23 5.885 5.540 4.889 149 HA PHE 23 HA PHE 23 4.267 4.934 7.064 150 1HB PHE 23 1HB PHE 23 2.471 3.705 6.031 151 2HB PHE 23 2HB PHE 23 2.604 5.133 5.023 152 HD1 PHE 23 HD1 PHE 23 4.917 4.520 3.334 153 HD2 PHE 23 HD2 PHE 23 1.765 1.995 4.639 154 HE1 PHE 23 HE1 PHE 23 5.247 3.065 1.316 155 HE2 PHE 23 HE2 PHE 23 2.095 0.540 2.620 156 HZ PHE 23 HZ PHE 23 3.832 1.092 0.983 157 H ASN 24 H ASN 24 4.021 2.279 7.111 158 HA ASN 24 HA ASN 24 6.532 1.266 6.041 159 1HB ASN 24 1HB ASN 24 5.851 1.656 8.810 160 2HB ASN 24 2HB ASN 24 5.814 -0.074 8.529 161 1HD2 ASN 24 1HD2 ASN 24 7.636 -1.131 8.676 162 2HD2 ASN 24 2HD2 ASN 24 9.238 -0.487 8.538 163 H ILE 25 H ILE 25 6.364 -1.396 6.731 164 HA ILE 25 HA ILE 25 3.665 -2.342 6.341 165 HB ILE 25 HB ILE 25 4.647 -3.801 4.394 166 1HG1 ILE 25 1HG1 ILE 25 6.162 -1.268 3.810 167 2HG1 ILE 25 2HG1 ILE 25 6.916 -2.545 4.744 168 1HG2 ILE 25 1HG2 ILE 25 3.716 -0.942 4.013 169 2HG2 ILE 25 2HG2 ILE 25 3.680 -2.230 2.785 170 3HG2 ILE 25 3HG2 ILE 25 2.676 -2.367 4.248 171 1HD1 ILE 25 1HD1 ILE 25 6.194 -4.159 2.853 172 2HD1 ILE 25 2HD1 ILE 25 5.845 -2.695 1.902 173 3HD1 ILE 25 3HD1 ILE 25 7.500 -3.011 2.476 174 H ILE 26 H ILE 26 3.606 -4.791 6.505 175 HA ILE 26 HA ILE 26 5.937 -5.770 7.989 176 HB ILE 26 HB ILE 26 4.649 -6.620 9.719 177 1HG1 ILE 26 1HG1 ILE 26 2.093 -5.967 8.230 178 2HG1 ILE 26 2HG1 ILE 26 2.857 -7.544 8.204 179 1HG2 ILE 26 1HG2 ILE 26 3.730 -4.732 10.744 180 2HG2 ILE 26 2HG2 ILE 26 4.908 -4.067 9.587 181 3HG2 ILE 26 3HG2 ILE 26 3.170 -4.045 9.200 182 1HD1 ILE 26 1HD1 ILE 26 2.113 -6.127 10.799 183 2HD1 ILE 26 2HD1 ILE 26 1.018 -7.247 9.954 184 3HD1 ILE 26 3HD1 ILE 26 2.576 -7.833 10.587 185 H GLY 27 H GLY 27 5.846 -8.259 8.169 186 1HA GLY 27 1HA GLY 27 4.820 -10.241 7.177 187 2HA GLY 27 2HA GLY 27 4.691 -9.351 5.672 188 H GLY 28 H GLY 28 5.968 -10.977 4.566 189 1HA GLY 28 1HA GLY 28 7.881 -11.760 3.686 190 2HA GLY 28 2HA GLY 28 8.701 -10.376 4.380 191 H ARG 29 H ARG 29 9.105 -13.536 4.214 192 HA ARG 29 HA ARG 29 9.379 -14.055 7.028 193 1HB ARG 29 1HB ARG 29 8.707 -15.668 4.889 194 2HB ARG 29 2HB ARG 29 10.412 -16.041 5.042 195 1HG ARG 29 1HG ARG 29 10.124 -16.658 7.406 196 2HG ARG 29 2HG ARG 29 8.456 -16.123 7.386 197 1HD ARG 29 1HD ARG 29 8.584 -17.938 5.237 198 2HD ARG 29 2HD ARG 29 9.610 -18.673 6.452 199 HE ARG 29 HE ARG 29 7.260 -17.790 7.780 200 1HH1 ARG 29 1HH1 ARG 29 8.170 -20.136 5.320 201 2HH1 ARG 29 2HH1 ARG 29 6.873 -21.222 5.694 202 1HH2 ARG 29 1HH2 ARG 29 5.549 -19.223 8.273 203 2HH2 ARG 29 2HH2 ARG 29 5.372 -20.699 7.385 204 HA PRO 30 HA PRO 30 13.621 -12.953 6.810 205 1HB PRO 30 1HB PRO 30 14.313 -13.531 9.390 206 2HB PRO 30 2HB PRO 30 13.569 -12.018 8.913 207 1HG PRO 30 1HG PRO 30 12.356 -14.319 10.318 208 2HG PRO 30 2HG PRO 30 11.777 -12.668 10.212 209 1HD PRO 30 1HD PRO 30 10.779 -14.933 8.762 210 2HD PRO 30 2HD PRO 30 10.280 -13.264 8.572 211 H SER 31 H SER 31 13.457 -14.962 5.272 212 HA SER 31 HA SER 31 15.766 -16.368 5.767 213 1HB SER 31 1HB SER 31 13.286 -17.623 6.855 214 2HB SER 31 2HB SER 31 14.307 -18.685 5.908 215 HG SER 31 HG SER 31 16.084 -17.564 7.393 216 H VAL 32 H VAL 32 16.286 -17.794 3.946 217 HA VAL 32 HA VAL 32 14.247 -17.827 1.843 218 HB VAL 32 HB VAL 32 17.103 -16.869 1.643 219 1HG1 VAL 32 1HG1 VAL 32 16.560 -18.446 -0.209 220 2HG1 VAL 32 2HG1 VAL 32 15.189 -17.402 -0.653 221 3HG1 VAL 32 3HG1 VAL 32 16.853 -16.780 -0.764 222 1HG2 VAL 32 1HG2 VAL 32 14.393 -15.601 1.267 223 2HG2 VAL 32 2HG2 VAL 32 15.777 -15.040 2.235 224 3HG2 VAL 32 3HG2 VAL 32 15.834 -14.938 0.459 225 H ASP 33 H ASP 33 17.484 -19.005 2.976 226 HA ASP 33 HA ASP 33 18.405 -20.965 2.931 227 1HB ASP 33 1HB ASP 33 15.488 -21.706 2.835 228 2HB ASP 33 2HB ASP 33 16.642 -22.979 2.492 229 H ASN 34 H ASN 34 15.687 -21.961 0.759 230 HA ASN 34 HA ASN 34 17.273 -21.515 -1.571 231 1HB ASN 34 1HB ASN 34 18.055 -23.775 -0.677 232 2HB ASN 34 2HB ASN 34 16.414 -24.366 -0.849 233 1HD2 ASN 34 1HD2 ASN 34 18.575 -25.520 -2.125 234 2HD2 ASN 34 2HD2 ASN 34 18.445 -25.311 -3.840 235 H HIS 35 H HIS 35 15.704 -20.659 -2.942 236 HA HIS 35 HA HIS 35 13.682 -20.131 -3.690 237 1HB HIS 35 1HB HIS 35 14.326 -22.873 -4.319 238 2HB HIS 35 2HB HIS 35 12.587 -22.692 -4.205 239 HD1 HIS 35 HD1 HIS 35 15.266 -22.371 -6.574 240 HD2 HIS 35 HD2 HIS 35 11.692 -20.293 -5.864 241 HE1 HIS 35 HE1 HIS 35 14.738 -21.101 -8.723 242 H ASP 36 H ASP 36 12.657 -19.174 -1.892 243 HA ASP 36 HA ASP 36 10.709 -20.947 -0.661 244 1HB ASP 36 1HB ASP 36 12.902 -19.852 0.689 245 2HB ASP 36 2HB ASP 36 11.626 -18.706 1.048 246 H GLY 37 H GLY 37 8.768 -19.674 0.175 247 1HA GLY 37 1HA GLY 37 7.925 -17.308 0.307 248 2HA GLY 37 2HA GLY 37 8.420 -17.177 -1.369 249 H SER 38 H SER 38 6.701 -19.720 0.593 250 HA SER 38 HA SER 38 4.277 -19.279 -0.723 251 1HB SER 38 1HB SER 38 5.983 -20.646 -2.368 252 2HB SER 38 2HB SER 38 5.267 -21.990 -1.501 253 HG SER 38 HG SER 38 4.106 -21.333 -3.484 254 H SER 39 H SER 39 3.830 -19.265 1.626 255 HA SER 39 HA SER 39 3.072 -21.862 2.491 256 1HB SER 39 1HB SER 39 5.442 -20.468 3.679 257 2HB SER 39 2HB SER 39 4.326 -21.200 4.815 258 HG SER 39 HG SER 39 6.218 -22.415 3.290 259 H SER 40 H SER 40 3.809 -18.525 3.761 260 HA SER 40 HA SER 40 1.109 -17.877 3.976 261 1HB SER 40 1HB SER 40 1.055 -17.712 6.530 262 2HB SER 40 2HB SER 40 0.924 -19.328 5.863 263 HG SER 40 HG SER 40 2.498 -19.668 7.323 264 H GLU 41 H GLU 41 2.229 -16.119 2.783 265 HA GLU 41 HA GLU 41 3.430 -14.262 4.674 266 1HB GLU 41 1HB GLU 41 4.420 -14.903 1.864 267 2HB GLU 41 2HB GLU 41 4.948 -13.500 2.773 268 1HG GLU 41 1HG GLU 41 6.463 -14.763 3.886 269 2HG GLU 41 2HG GLU 41 5.180 -15.776 4.518 270 H GLY 42 H GLY 42 3.215 -11.943 3.991 271 1HA GLY 42 1HA GLY 42 1.537 -11.257 1.790 272 2HA GLY 42 2HA GLY 42 0.641 -11.256 3.296 273 H ILE 43 H ILE 43 1.065 -8.885 1.784 274 HA ILE 43 HA ILE 43 3.030 -7.476 3.451 275 HB ILE 43 HB ILE 43 1.994 -6.760 0.706 276 1HG1 ILE 43 1HG1 ILE 43 3.372 -8.651 0.410 277 2HG1 ILE 43 2HG1 ILE 43 4.375 -7.267 0.025 278 1HG2 ILE 43 1HG2 ILE 43 2.513 -4.732 1.758 279 2HG2 ILE 43 2HG2 ILE 43 3.930 -5.418 2.589 280 3HG2 ILE 43 3HG2 ILE 43 3.976 -5.143 0.831 281 1HD1 ILE 43 1HD1 ILE 43 5.853 -8.301 1.449 282 2HD1 ILE 43 2HD1 ILE 43 4.898 -7.468 2.699 283 3HD1 ILE 43 3HD1 ILE 43 4.566 -9.174 2.314 284 H PHE 44 H PHE 44 2.206 -6.180 4.997 285 HA PHE 44 HA PHE 44 -0.406 -4.975 4.461 286 1HB PHE 44 1HB PHE 44 0.636 -6.414 6.972 287 2HB PHE 44 2HB PHE 44 -0.831 -5.456 6.971 288 HD1 PHE 44 HD1 PHE 44 0.739 -8.411 5.352 289 HD2 PHE 44 HD2 PHE 44 -2.870 -6.427 6.375 290 HE1 PHE 44 HE1 PHE 44 -0.573 -10.421 4.620 291 HE2 PHE 44 HE2 PHE 44 -4.182 -8.438 5.643 292 HZ PHE 44 HZ PHE 44 -3.018 -10.411 4.774 293 H VAL 45 H VAL 45 -0.862 -3.127 6.057 294 HA VAL 45 HA VAL 45 1.668 -1.713 6.507 295 HB VAL 45 HB VAL 45 -1.154 -0.759 6.005 296 1HG1 VAL 45 1HG1 VAL 45 0.160 1.534 5.928 297 2HG1 VAL 45 2HG1 VAL 45 -0.464 0.885 7.463 298 3HG1 VAL 45 3HG1 VAL 45 1.256 0.690 7.048 299 1HG2 VAL 45 1HG2 VAL 45 0.569 -1.580 4.149 300 2HG2 VAL 45 2HG2 VAL 45 -0.491 -0.174 3.891 301 3HG2 VAL 45 3HG2 VAL 45 1.208 0.067 4.366 302 H SER 46 H SER 46 2.351 -1.511 8.572 303 HA SER 46 HA SER 46 0.295 -1.796 10.621 304 1HB SER 46 1HB SER 46 1.891 -3.645 10.689 305 2HB SER 46 2HB SER 46 3.250 -2.539 10.665 306 HG SER 46 HG SER 46 1.330 -2.245 12.758 307 H LYS 47 H LYS 47 1.836 0.541 8.995 308 HA LYS 47 HA LYS 47 1.659 2.396 11.136 309 1HB LYS 47 1HB LYS 47 4.014 1.130 11.255 310 2HB LYS 47 2HB LYS 47 4.435 2.319 10.039 311 1HG LYS 47 1HG LYS 47 2.977 3.743 12.035 312 2HG LYS 47 2HG LYS 47 4.065 2.684 12.910 313 1HD LYS 47 1HD LYS 47 5.969 3.528 11.459 314 2HD LYS 47 2HD LYS 47 4.856 4.664 10.722 315 1HE LYS 47 1HE LYS 47 4.978 6.088 12.498 316 2HE LYS 47 2HE LYS 47 4.700 4.798 13.651 317 1HZ LYS 47 1HZ LYS 47 7.279 4.734 12.416 318 2HZ LYS 47 2HZ LYS 47 7.016 6.058 13.334 319 3HZ LYS 47 3HZ LYS 47 6.872 4.569 13.989 320 H ILE 48 H ILE 48 1.593 4.563 10.356 321 HA ILE 48 HA ILE 48 2.132 4.983 7.551 322 HB ILE 48 HB ILE 48 -0.656 5.167 8.691 323 1HG1 ILE 48 1HG1 ILE 48 0.541 3.494 6.465 324 2HG1 ILE 48 2HG1 ILE 48 -0.052 2.916 8.010 325 1HG2 ILE 48 1HG2 ILE 48 0.400 7.009 6.998 326 2HG2 ILE 48 2HG2 ILE 48 -0.219 5.805 5.842 327 3HG2 ILE 48 3HG2 ILE 48 -1.316 6.537 7.037 328 1HD1 ILE 48 1HD1 ILE 48 -2.040 2.603 6.949 329 2HD1 ILE 48 2HD1 ILE 48 -2.228 4.371 7.043 330 3HD1 ILE 48 3HD1 ILE 48 -1.555 3.624 5.574 331 H VAL 49 H VAL 49 2.895 7.029 7.226 332 HA VAL 49 HA VAL 49 3.145 8.686 9.554 333 HB VAL 49 HB VAL 49 4.023 9.041 6.682 334 1HG1 VAL 49 1HG1 VAL 49 5.450 10.499 8.815 335 2HG1 VAL 49 2HG1 VAL 49 4.949 11.033 7.192 336 3HG1 VAL 49 3HG1 VAL 49 3.779 11.043 8.533 337 1HG2 VAL 49 1HG2 VAL 49 5.733 7.682 7.130 338 2HG2 VAL 49 2HG2 VAL 49 6.156 8.626 8.579 339 3HG2 VAL 49 3HG2 VAL 49 4.975 7.300 8.694 340 H ASP 50 H ASP 50 1.644 10.129 10.208 341 HA ASP 50 HA ASP 50 -0.681 10.588 8.918 342 1HB ASP 50 1HB ASP 50 0.630 11.525 11.242 343 2HB ASP 50 2HB ASP 50 0.244 12.985 10.354 344 H SER 51 H SER 51 1.968 13.077 9.275 345 HA SER 51 HA SER 51 0.992 14.732 7.309 346 1HB SER 51 1HB SER 51 3.227 14.640 9.080 347 2HB SER 51 2HB SER 51 3.890 14.909 7.481 348 HG SER 51 HG SER 51 2.599 16.774 7.237 349 H GLY 52 H GLY 52 2.528 11.653 7.061 350 1HA GLY 52 1HA GLY 52 4.060 11.857 4.752 351 2HA GLY 52 2HA GLY 52 3.225 10.423 5.315 352 HA PRO 53 HA PRO 53 1.152 12.305 1.565 353 1HB PRO 53 1HB PRO 53 2.491 11.196 -0.544 354 2HB PRO 53 2HB PRO 53 2.795 12.822 0.036 355 1HG PRO 53 1HG PRO 53 4.431 10.387 0.402 356 2HG PRO 53 2HG PRO 53 4.901 12.064 0.592 357 1HD PRO 53 1HD PRO 53 4.329 10.194 2.691 358 2HD PRO 53 2HD PRO 53 4.686 11.900 2.875 359 H ALA 54 H ALA 54 1.799 9.425 2.963 360 HA ALA 54 HA ALA 54 0.148 7.903 1.121 361 1HB ALA 54 1HB ALA 54 1.726 7.225 3.630 362 2HB ALA 54 2HB ALA 54 0.711 6.048 2.762 363 3HB ALA 54 3HB ALA 54 2.110 6.787 1.948 364 H ALA 55 H ALA 55 0.059 9.509 4.303 365 HA ALA 55 HA ALA 55 -2.565 8.378 4.842 366 1HB ALA 55 1HB ALA 55 -0.944 8.473 6.669 367 2HB ALA 55 2HB ALA 55 -0.730 10.223 6.424 368 3HB ALA 55 3HB ALA 55 -2.288 9.590 7.006 369 H LYS 56 H LYS 56 -0.950 11.361 3.758 370 HA LYS 56 HA LYS 56 -3.073 13.118 4.192 371 1HB LYS 56 1HB LYS 56 -0.629 13.081 2.461 372 2HB LYS 56 2HB LYS 56 -1.854 14.294 2.149 373 1HG LYS 56 1HG LYS 56 -0.681 13.793 4.922 374 2HG LYS 56 2HG LYS 56 -0.023 14.974 3.807 375 1HD LYS 56 1HD LYS 56 -1.541 16.467 4.584 376 2HD LYS 56 2HD LYS 56 -2.801 15.509 3.831 377 1HE LYS 56 1HE LYS 56 -3.494 15.600 6.091 378 2HE LYS 56 2HE LYS 56 -2.712 14.035 5.990 379 1HZ LYS 56 1HZ LYS 56 -0.979 16.230 6.642 380 2HZ LYS 56 2HZ LYS 56 -2.091 15.865 7.780 381 3HZ LYS 56 3HZ LYS 56 -1.037 14.725 7.273 382 H GLU 57 H GLU 57 -2.054 12.206 0.858 383 HA GLU 57 HA GLU 57 -4.887 12.042 0.236 384 1HB GLU 57 1HB GLU 57 -2.450 12.489 -1.540 385 2HB GLU 57 2HB GLU 57 -4.080 12.311 -2.158 386 1HG GLU 57 1HG GLU 57 -3.676 14.331 0.032 387 2HG GLU 57 2HG GLU 57 -3.004 14.724 -1.538 388 H GLY 58 H GLY 58 -1.921 10.190 0.502 389 1HA GLY 58 1HA GLY 58 -1.973 8.157 -1.191 390 2HA GLY 58 2HA GLY 58 -1.723 7.916 0.527 391 H GLY 59 H GLY 59 -4.090 8.203 1.775 392 1HA GLY 59 1HA GLY 59 -6.338 7.588 1.789 393 2HA GLY 59 2HA GLY 59 -6.136 6.746 0.265 394 H LEU 60 H LEU 60 -3.412 5.967 2.062 395 HA LEU 60 HA LEU 60 -4.275 3.320 2.474 396 1HB LEU 60 1HB LEU 60 -1.913 4.404 2.081 397 2HB LEU 60 2HB LEU 60 -1.879 4.484 3.832 398 HG LEU 60 HG LEU 60 -2.000 2.120 4.055 399 1HD1 LEU 60 1HD1 LEU 60 -1.999 0.862 1.649 400 2HD1 LEU 60 2HD1 LEU 60 -3.445 1.117 2.656 401 3HD1 LEU 60 3HD1 LEU 60 -3.088 2.229 1.313 402 1HD2 LEU 60 1HD2 LEU 60 -0.047 1.351 2.678 403 2HD2 LEU 60 2HD2 LEU 60 -0.102 2.919 1.838 404 3HD2 LEU 60 3HD2 LEU 60 0.218 2.858 3.588 405 H GLN 61 H GLN 61 -4.005 2.217 4.715 406 HA GLN 61 HA GLN 61 -4.600 3.881 6.933 407 1HB GLN 61 1HB GLN 61 -6.807 3.000 5.392 408 2HB GLN 61 2HB GLN 61 -6.779 1.938 6.786 409 1HG GLN 61 1HG GLN 61 -6.495 4.098 8.214 410 2HG GLN 61 2HG GLN 61 -6.941 4.978 6.766 411 1HE2 GLN 61 1HE2 GLN 61 -8.731 3.093 5.666 412 2HE2 GLN 61 2HE2 GLN 61 -10.171 3.047 6.627 413 H ILE 62 H ILE 62 -3.722 2.917 8.730 414 HA ILE 62 HA ILE 62 -2.180 0.747 8.695 415 HB ILE 62 HB ILE 62 -3.949 1.532 11.013 416 1HG1 ILE 62 1HG1 ILE 62 -1.683 2.908 9.699 417 2HG1 ILE 62 2HG1 ILE 62 -3.004 3.558 10.650 418 1HG2 ILE 62 1HG2 ILE 62 -2.684 -0.635 11.195 419 2HG2 ILE 62 2HG2 ILE 62 -1.181 0.311 11.065 420 3HG2 ILE 62 3HG2 ILE 62 -2.290 0.585 12.431 421 1HD1 ILE 62 1HD1 ILE 62 -0.560 2.093 11.750 422 2HD1 ILE 62 2HD1 ILE 62 -0.884 3.840 11.864 423 3HD1 ILE 62 3HD1 ILE 62 -1.920 2.684 12.735 424 H HIS 63 H HIS 63 -2.374 -1.509 9.359 425 HA HIS 63 HA HIS 63 -3.274 -3.505 9.250 426 1HB HIS 63 1HB HIS 63 -5.981 -2.296 9.826 427 2HB HIS 63 2HB HIS 63 -5.416 -3.911 10.201 428 HD1 HIS 63 HD1 HIS 63 -6.412 -1.341 12.119 429 HD2 HIS 63 HD2 HIS 63 -2.634 -3.138 11.810 430 HE1 HIS 63 HE1 HIS 63 -5.193 -0.820 14.298 431 H ASP 64 H ASP 64 -2.740 -2.480 6.824 432 HA ASP 64 HA ASP 64 -5.158 -3.016 5.288 433 1HB ASP 64 1HB ASP 64 -4.460 -1.469 3.703 434 2HB ASP 64 2HB ASP 64 -3.741 -0.761 5.135 435 H ARG 65 H ARG 65 -4.524 -4.006 2.988 436 HA ARG 65 HA ARG 65 -2.240 -5.768 3.328 437 1HB ARG 65 1HB ARG 65 -4.509 -6.908 3.794 438 2HB ARG 65 2HB ARG 65 -4.897 -6.652 2.104 439 1HG ARG 65 1HG ARG 65 -2.790 -7.915 1.478 440 2HG ARG 65 2HG ARG 65 -2.525 -8.249 3.178 441 1HD ARG 65 1HD ARG 65 -4.171 -9.856 3.256 442 2HD ARG 65 2HD ARG 65 -5.264 -8.933 2.244 443 HE ARG 65 HE ARG 65 -2.962 -9.968 0.767 444 1HH1 ARG 65 1HH1 ARG 65 -6.190 -10.725 1.944 445 2HH1 ARG 65 2HH1 ARG 65 -6.475 -11.952 0.755 446 1HH2 ARG 65 1HH2 ARG 65 -3.336 -11.587 -0.801 447 2HH2 ARG 65 2HH2 ARG 65 -4.840 -12.446 -0.816 448 H ILE 66 H ILE 66 -1.085 -4.305 1.874 449 HA ILE 66 HA ILE 66 -2.007 -3.351 -0.519 450 HB ILE 66 HB ILE 66 0.818 -4.272 -0.023 451 1HG1 ILE 66 1HG1 ILE 66 -0.742 -2.068 1.268 452 2HG1 ILE 66 2HG1 ILE 66 0.467 -3.135 1.953 453 1HG2 ILE 66 1HG2 ILE 66 1.435 -2.947 -1.729 454 2HG2 ILE 66 2HG2 ILE 66 -0.261 -3.131 -2.240 455 3HG2 ILE 66 3HG2 ILE 66 0.242 -1.688 -1.327 456 1HD1 ILE 66 1HD1 ILE 66 2.021 -1.868 0.115 457 2HD1 ILE 66 2HD1 ILE 66 0.825 -0.587 0.426 458 3HD1 ILE 66 3HD1 ILE 66 1.784 -1.254 1.769 459 H ILE 67 H ILE 67 -2.606 -4.233 -2.430 460 HA ILE 67 HA ILE 67 -2.069 -7.086 -2.760 461 HB ILE 67 HB ILE 67 -3.983 -5.388 -4.346 462 1HG1 ILE 67 1HG1 ILE 67 -4.260 -5.387 -1.729 463 2HG1 ILE 67 2HG1 ILE 67 -5.646 -5.569 -2.787 464 1HG2 ILE 67 1HG2 ILE 67 -3.432 -7.545 -5.320 465 2HG2 ILE 67 2HG2 ILE 67 -3.834 -8.364 -3.791 466 3HG2 ILE 67 3HG2 ILE 67 -5.109 -7.542 -4.723 467 1HD1 ILE 67 1HD1 ILE 67 -4.115 -7.837 -1.432 468 2HD1 ILE 67 2HD1 ILE 67 -5.743 -7.256 -1.006 469 3HD1 ILE 67 3HD1 ILE 67 -5.467 -8.064 -2.568 470 H GLU 68 H GLU 68 -1.812 -3.892 -4.426 471 HA GLU 68 HA GLU 68 0.453 -4.949 -5.837 472 1HB GLU 68 1HB GLU 68 -2.025 -5.008 -7.117 473 2HB GLU 68 2HB GLU 68 -1.336 -3.502 -7.691 474 1HG GLU 68 1HG GLU 68 -0.008 -4.654 -9.118 475 2HG GLU 68 2HG GLU 68 0.781 -5.427 -7.758 476 H VAL 69 H VAL 69 1.778 -3.209 -6.830 477 HA VAL 69 HA VAL 69 0.993 -0.520 -6.007 478 HB VAL 69 HB VAL 69 2.590 -1.935 -4.394 479 1HG1 VAL 69 1HG1 VAL 69 4.516 -0.594 -6.323 480 2HG1 VAL 69 2HG1 VAL 69 4.942 -1.398 -4.793 481 3HG1 VAL 69 3HG1 VAL 69 4.279 -2.349 -6.143 482 1HG2 VAL 69 1HG2 VAL 69 2.080 0.868 -4.914 483 2HG2 VAL 69 2HG2 VAL 69 2.340 0.030 -3.365 484 3HG2 VAL 69 3HG2 VAL 69 3.732 0.635 -4.295 485 H ASN 70 H ASN 70 0.975 0.634 -7.862 486 HA ASN 70 HA ASN 70 1.715 1.567 -9.688 487 1HB ASN 70 1HB ASN 70 4.118 0.873 -8.528 488 2HB ASN 70 2HB ASN 70 4.215 -0.063 -10.006 489 1HD2 ASN 70 1HD2 ASN 70 4.143 3.082 -8.570 490 2HD2 ASN 70 2HD2 ASN 70 4.532 4.021 -9.973 491 H GLY 71 H GLY 71 2.707 -1.928 -9.465 492 1HA GLY 71 1HA GLY 71 0.895 -3.016 -11.175 493 2HA GLY 71 2HA GLY 71 2.160 -2.442 -12.242 494 H ARG 72 H ARG 72 2.983 -3.375 -8.924 495 HA ARG 72 HA ARG 72 4.200 -5.770 -10.046 496 1HB ARG 72 1HB ARG 72 5.334 -3.591 -8.521 497 2HB ARG 72 2HB ARG 72 5.419 -5.032 -7.527 498 1HG ARG 72 1HG ARG 72 6.386 -6.228 -9.623 499 2HG ARG 72 2HG ARG 72 6.572 -4.630 -10.317 500 1HD ARG 72 1HD ARG 72 8.262 -4.017 -8.829 501 2HD ARG 72 2HD ARG 72 7.638 -5.017 -7.532 502 HE ARG 72 HE ARG 72 8.460 -6.804 -9.555 503 1HH1 ARG 72 1HH1 ARG 72 9.952 -4.374 -7.493 504 2HH1 ARG 72 2HH1 ARG 72 11.498 -5.155 -7.474 505 1HH2 ARG 72 1HH2 ARG 72 10.499 -7.835 -9.530 506 2HH2 ARG 72 2HH2 ARG 72 11.811 -7.137 -8.641 507 H ASP 73 H ASP 73 3.466 -7.705 -9.201 508 HA ASP 73 HA ASP 73 1.403 -7.743 -7.380 509 1HB ASP 73 1HB ASP 73 3.274 -9.766 -8.582 510 2HB ASP 73 2HB ASP 73 2.370 -10.279 -7.171 511 H LEU 74 H LEU 74 1.563 -7.254 -5.186 512 HA LEU 74 HA LEU 74 4.050 -8.046 -3.835 513 1HB LEU 74 1HB LEU 74 2.229 -5.764 -3.077 514 2HB LEU 74 2HB LEU 74 3.782 -6.169 -2.373 515 HG LEU 74 HG LEU 74 3.177 -4.904 -5.031 516 1HD1 LEU 74 1HD1 LEU 74 4.908 -4.230 -2.652 517 2HD1 LEU 74 2HD1 LEU 74 5.086 -3.413 -4.224 518 3HD1 LEU 74 3HD1 LEU 74 3.544 -3.315 -3.340 519 1HD2 LEU 74 1HD2 LEU 74 5.830 -5.213 -5.259 520 2HD2 LEU 74 2HD2 LEU 74 5.440 -6.726 -4.407 521 3HD2 LEU 74 3HD2 LEU 74 4.653 -6.350 -5.959 522 H SER 75 H SER 75 0.934 -8.981 -4.367 523 HA SER 75 HA SER 75 -0.077 -9.291 -1.807 524 1HB SER 75 1HB SER 75 -1.607 -9.547 -3.599 525 2HB SER 75 2HB SER 75 -0.566 -10.664 -4.460 526 HG SER 75 HG SER 75 -1.080 -12.320 -3.014 527 H ARG 76 H ARG 76 2.055 -11.338 -3.865 528 HA ARG 76 HA ARG 76 2.315 -13.121 -1.579 529 1HB ARG 76 1HB ARG 76 3.205 -14.783 -3.308 530 2HB ARG 76 2HB ARG 76 1.514 -14.363 -3.497 531 1HG ARG 76 1HG ARG 76 1.923 -12.987 -5.385 532 2HG ARG 76 2HG ARG 76 3.612 -12.754 -4.977 533 1HD ARG 76 1HD ARG 76 4.212 -14.969 -5.692 534 2HD ARG 76 2HD ARG 76 2.547 -15.517 -5.682 535 HE ARG 76 HE ARG 76 2.653 -13.370 -7.516 536 1HH1 ARG 76 1HH1 ARG 76 4.075 -16.571 -7.187 537 2HH1 ARG 76 2HH1 ARG 76 4.230 -16.818 -8.894 538 1HH2 ARG 76 1HH2 ARG 76 2.858 -13.694 -9.768 539 2HH2 ARG 76 2HH2 ARG 76 3.533 -15.170 -10.372 540 H ALA 77 H ALA 77 3.700 -10.461 -2.208 541 HA ALA 77 HA ALA 77 6.432 -11.371 -2.679 542 1HB ALA 77 1HB ALA 77 5.475 -9.425 -3.941 543 2HB ALA 77 2HB ALA 77 5.308 -8.557 -2.396 544 3HB ALA 77 3HB ALA 77 6.923 -9.011 -2.991 545 H THR 78 H THR 78 8.065 -9.919 -1.227 546 HA THR 78 HA THR 78 7.131 -10.252 1.550 547 HB THR 78 HB THR 78 8.825 -11.949 0.794 548 HG1 THR 78 HG1 THR 78 9.962 -9.826 2.463 549 1HG2 THR 78 1HG2 THR 78 11.045 -11.310 0.158 550 2HG2 THR 78 2HG2 THR 78 10.001 -10.252 -0.822 551 3HG2 THR 78 3HG2 THR 78 10.783 -9.618 0.646 552 H HIS 79 H HIS 79 8.400 -8.870 3.145 553 HA HIS 79 HA HIS 79 7.917 -6.244 2.618 554 1HB HIS 79 1HB HIS 79 8.263 -7.230 4.848 555 2HB HIS 79 2HB HIS 79 9.973 -7.415 4.514 556 HD1 HIS 79 HD1 HIS 79 11.482 -5.383 4.861 557 HD2 HIS 79 HD2 HIS 79 7.397 -4.474 5.139 558 HE1 HIS 79 HE1 HIS 79 11.340 -2.994 5.746 559 H ASP 80 H ASP 80 10.868 -8.179 1.976 560 HA ASP 80 HA ASP 80 12.558 -6.091 1.420 561 1HB ASP 80 1HB ASP 80 12.568 -8.923 1.220 562 2HB ASP 80 2HB ASP 80 12.944 -8.362 -0.397 563 H GLN 81 H GLN 81 10.464 -8.109 -0.777 564 HA GLN 81 HA GLN 81 11.110 -6.646 -3.067 565 1HB GLN 81 1HB GLN 81 8.886 -8.584 -2.357 566 2HB GLN 81 2HB GLN 81 8.920 -7.797 -3.922 567 1HG GLN 81 1HG GLN 81 11.371 -8.636 -4.117 568 2HG GLN 81 2HG GLN 81 11.024 -9.650 -2.731 569 1HE2 GLN 81 1HE2 GLN 81 10.845 -11.636 -3.453 570 2HE2 GLN 81 2HE2 GLN 81 9.848 -12.185 -4.759 571 H ALA 82 H ALA 82 8.309 -6.553 -0.775 572 HA ALA 82 HA ALA 82 6.739 -4.726 -2.070 573 1HB ALA 82 1HB ALA 82 6.324 -4.056 0.519 574 2HB ALA 82 2HB ALA 82 5.707 -5.561 -0.204 575 3HB ALA 82 3HB ALA 82 7.209 -5.583 0.750 576 H VAL 83 H VAL 83 9.515 -4.127 0.181 577 HA VAL 83 HA VAL 83 9.314 -1.347 0.137 578 HB VAL 83 HB VAL 83 11.553 -3.292 0.664 579 1HG1 VAL 83 1HG1 VAL 83 11.656 -0.273 0.993 580 2HG1 VAL 83 2HG1 VAL 83 12.894 -1.431 1.535 581 3HG1 VAL 83 3HG1 VAL 83 12.567 -1.227 -0.202 582 1HG2 VAL 83 1HG2 VAL 83 10.689 -3.371 2.717 583 2HG2 VAL 83 2HG2 VAL 83 10.831 -1.604 2.874 584 3HG2 VAL 83 3HG2 VAL 83 9.356 -2.320 2.180 585 H GLU 84 H GLU 84 11.444 -3.580 -1.787 586 HA GLU 84 HA GLU 84 12.666 -1.688 -3.287 587 1HB GLU 84 1HB GLU 84 13.272 -4.075 -3.318 588 2HB GLU 84 2HB GLU 84 11.766 -4.482 -4.116 589 1HG GLU 84 1HG GLU 84 12.465 -3.673 -6.175 590 2HG GLU 84 2HG GLU 84 13.430 -2.391 -5.470 591 H ALA 85 H ALA 85 9.413 -3.157 -3.730 592 HA ALA 85 HA ALA 85 8.877 -2.163 -6.264 593 1HB ALA 85 1HB ALA 85 6.789 -2.399 -4.091 594 2HB ALA 85 2HB ALA 85 6.664 -2.809 -5.819 595 3HB ALA 85 3HB ALA 85 7.608 -3.848 -4.724 596 H PHE 86 H PHE 86 8.028 -0.763 -3.014 597 HA PHE 86 HA PHE 86 7.027 1.620 -4.099 598 1HB PHE 86 1HB PHE 86 8.115 0.638 -1.413 599 2HB PHE 86 2HB PHE 86 7.622 2.311 -1.582 600 HD1 PHE 86 HD1 PHE 86 6.553 -0.819 -0.562 601 HD2 PHE 86 HD2 PHE 86 5.194 2.562 -2.737 602 HE1 PHE 86 HE1 PHE 86 4.176 -1.471 -0.090 603 HE2 PHE 86 HE2 PHE 86 2.816 1.909 -2.266 604 HZ PHE 86 HZ PHE 86 2.336 -0.099 -0.948 605 H LYS 87 H LYS 87 10.291 0.474 -3.387 606 HA LYS 87 HA LYS 87 11.447 3.071 -3.218 607 1HB LYS 87 1HB LYS 87 12.225 0.499 -2.562 608 2HB LYS 87 2HB LYS 87 13.220 0.851 -3.960 609 1HG LYS 87 1HG LYS 87 13.552 3.204 -2.688 610 2HG LYS 87 2HG LYS 87 13.143 2.239 -1.284 611 1HD LYS 87 1HD LYS 87 14.972 0.605 -2.623 612 2HD LYS 87 2HD LYS 87 15.602 2.210 -2.936 613 1HE LYS 87 1HE LYS 87 16.368 2.393 -0.805 614 2HE LYS 87 2HE LYS 87 14.780 2.043 -0.151 615 1HZ LYS 87 1HZ LYS 87 16.434 0.406 0.477 616 2HZ LYS 87 2HZ LYS 87 15.232 -0.284 -0.387 617 3HZ LYS 87 3HZ LYS 87 16.679 0.004 -1.087 618 H THR 88 H THR 88 10.849 0.644 -5.790 619 HA THR 88 HA THR 88 12.087 2.477 -7.720 620 HB THR 88 HB THR 88 12.079 0.452 -9.181 621 HG1 THR 88 HG1 THR 88 10.045 -0.327 -8.061 622 1HG2 THR 88 1HG2 THR 88 13.170 -1.188 -7.283 623 2HG2 THR 88 2HG2 THR 88 14.066 0.169 -8.007 624 3HG2 THR 88 3HG2 THR 88 13.272 0.369 -6.427 625 H ALA 89 H ALA 89 9.216 2.303 -6.248 626 HA ALA 89 HA ALA 89 7.452 2.111 -8.471 627 1HB ALA 89 1HB ALA 89 5.841 3.114 -6.756 628 2HB ALA 89 2HB ALA 89 6.609 1.575 -6.300 629 3HB ALA 89 3HB ALA 89 7.204 3.105 -5.612 630 H LYS 90 H LYS 90 6.382 3.797 -9.605 631 HA LYS 90 HA LYS 90 7.709 6.403 -9.314 632 1HB LYS 90 1HB LYS 90 7.070 4.740 -11.696 633 2HB LYS 90 2HB LYS 90 6.801 6.463 -11.855 634 1HG LYS 90 1HG LYS 90 9.405 5.282 -10.788 635 2HG LYS 90 2HG LYS 90 9.148 5.645 -12.483 636 1HD LYS 90 1HD LYS 90 8.640 8.040 -11.860 637 2HD LYS 90 2HD LYS 90 8.993 7.656 -10.187 638 1HE LYS 90 1HE LYS 90 11.063 6.975 -12.284 639 2HE LYS 90 2HE LYS 90 10.882 8.651 -11.805 640 1HZ LYS 90 1HZ LYS 90 12.342 6.859 -10.494 641 2HZ LYS 90 2HZ LYS 90 11.756 8.226 -9.820 642 3HZ LYS 90 3HZ LYS 90 10.965 6.812 -9.618 643 H GLU 91 H GLU 91 6.381 8.304 -9.603 644 HA GLU 91 HA GLU 91 3.688 7.768 -8.728 645 1HB GLU 91 1HB GLU 91 5.124 10.442 -9.022 646 2HB GLU 91 2HB GLU 91 3.615 10.163 -8.176 647 1HG GLU 91 1HG GLU 91 5.032 10.028 -6.356 648 2HG GLU 91 2HG GLU 91 5.116 8.350 -6.853 649 HA PRO 92 HA PRO 92 1.976 8.842 -8.620 650 1HB PRO 92 1HB PRO 92 -0.575 8.158 -9.322 651 2HB PRO 92 2HB PRO 92 -0.042 9.818 -9.146 652 1HG PRO 92 1HG PRO 92 -0.564 8.292 -11.623 653 2HG PRO 92 2HG PRO 92 -0.450 10.027 -11.407 654 1HD PRO 92 1HD PRO 92 1.545 8.304 -12.537 655 2HD PRO 92 2HD PRO 92 1.703 10.019 -12.213 656 H ILE 93 H ILE 93 2.065 7.219 -7.172 657 HA ILE 93 HA ILE 93 2.430 4.616 -8.373 658 HB ILE 93 HB ILE 93 2.654 5.558 -5.512 659 1HG1 ILE 93 1HG1 ILE 93 4.992 4.871 -7.262 660 2HG1 ILE 93 2HG1 ILE 93 4.243 6.447 -7.426 661 1HG2 ILE 93 1HG2 ILE 93 3.531 3.487 -4.930 662 2HG2 ILE 93 2HG2 ILE 93 2.175 3.064 -6.003 663 3HG2 ILE 93 3HG2 ILE 93 3.844 3.027 -6.621 664 1HD1 ILE 93 1HD1 ILE 93 6.201 6.086 -5.679 665 2HD1 ILE 93 2HD1 ILE 93 4.810 7.110 -5.250 666 3HD1 ILE 93 3HD1 ILE 93 4.899 5.435 -4.655 667 H VAL 94 H VAL 94 0.663 3.441 -8.887 668 HA VAL 94 HA VAL 94 -1.779 3.877 -7.400 669 HB VAL 94 HB VAL 94 -1.115 2.110 -9.764 670 1HG1 VAL 94 1HG1 VAL 94 -3.538 1.923 -10.082 671 2HG1 VAL 94 2HG1 VAL 94 -3.052 1.277 -8.496 672 3HG1 VAL 94 3HG1 VAL 94 -3.817 2.881 -8.608 673 1HG2 VAL 94 1HG2 VAL 94 -1.251 3.936 -11.033 674 2HG2 VAL 94 2HG2 VAL 94 -2.883 4.268 -10.404 675 3HG2 VAL 94 3HG2 VAL 94 -1.456 4.935 -9.573 676 H VAL 95 H VAL 95 -2.030 2.864 -5.477 677 HA VAL 95 HA VAL 95 -0.961 0.132 -5.289 678 HB VAL 95 HB VAL 95 -1.522 1.730 -2.850 679 1HG1 VAL 95 1HG1 VAL 95 0.431 -0.381 -3.740 680 2HG1 VAL 95 2HG1 VAL 95 0.773 0.611 -2.302 681 3HG1 VAL 95 3HG1 VAL 95 -0.698 -0.389 -2.364 682 1HG2 VAL 95 1HG2 VAL 95 0.813 2.731 -3.019 683 2HG2 VAL 95 2HG2 VAL 95 0.752 2.339 -4.754 684 3HG2 VAL 95 3HG2 VAL 95 -0.436 3.463 -4.054 685 H GLN 96 H GLN 96 -2.274 -1.435 -4.148 686 HA GLN 96 HA GLN 96 -5.030 -0.564 -3.808 687 1HB GLN 96 1HB GLN 96 -5.015 -1.669 -5.954 688 2HB GLN 96 2HB GLN 96 -4.033 -2.990 -5.351 689 1HG GLN 96 1HG GLN 96 -5.901 -4.126 -4.762 690 2HG GLN 96 2HG GLN 96 -6.348 -2.840 -3.659 691 1HE2 GLN 96 1HE2 GLN 96 -6.521 -3.957 -6.996 692 2HE2 GLN 96 2HE2 GLN 96 -7.971 -3.124 -7.449 693 H VAL 97 H VAL 97 -6.083 -1.430 -2.000 694 HA VAL 97 HA VAL 97 -4.609 -3.495 -0.531 695 HB VAL 97 HB VAL 97 -5.241 -2.270 1.555 696 1HG1 VAL 97 1HG1 VAL 97 -3.275 -1.193 -0.451 697 2HG1 VAL 97 2HG1 VAL 97 -3.477 -0.383 1.121 698 3HG1 VAL 97 3HG1 VAL 97 -2.983 -2.092 1.058 699 1HG2 VAL 97 1HG2 VAL 97 -5.742 0.078 -0.301 700 2HG2 VAL 97 2HG2 VAL 97 -7.024 -0.866 0.495 701 3HG2 VAL 97 3HG2 VAL 97 -5.859 0.057 1.475 702 H LEU 98 H LEU 98 -6.045 -4.623 1.101 703 HA LEU 98 HA LEU 98 -8.787 -4.700 0.049 704 1HB LEU 98 1HB LEU 98 -6.804 -6.786 0.609 705 2HB LEU 98 2HB LEU 98 -8.377 -7.104 1.312 706 HG LEU 98 HG LEU 98 -9.450 -6.993 -0.847 707 1HD1 LEU 98 1HD1 LEU 98 -8.658 -5.806 -2.543 708 2HD1 LEU 98 2HD1 LEU 98 -7.216 -5.413 -1.576 709 3HD1 LEU 98 3HD1 LEU 98 -7.215 -6.843 -2.636 710 1HD2 LEU 98 1HD2 LEU 98 -8.937 -9.128 -1.152 711 2HD2 LEU 98 2HD2 LEU 98 -7.372 -8.680 -1.872 712 3HD2 LEU 98 3HD2 LEU 98 -7.507 -8.920 -0.113 713 H ARG 99 H ARG 99 -10.028 -3.504 1.412 714 HA ARG 99 HA ARG 99 -9.731 -4.165 4.227 715 1HB ARG 99 1HB ARG 99 -10.031 -1.854 4.873 716 2HB ARG 99 2HB ARG 99 -8.793 -1.858 3.632 717 1HG ARG 99 1HG ARG 99 -10.468 -1.233 1.913 718 2HG ARG 99 2HG ARG 99 -11.753 -1.317 3.101 719 1HD ARG 99 1HD ARG 99 -11.081 1.030 2.786 720 2HD ARG 99 2HD ARG 99 -10.670 0.520 4.411 721 HE ARG 99 HE ARG 99 -8.348 -0.036 3.090 722 1HH1 ARG 99 1HH1 ARG 99 -10.397 2.825 3.079 723 2HH1 ARG 99 2HH1 ARG 99 -9.090 3.917 2.761 724 1HH2 ARG 99 1HH2 ARG 99 -6.623 1.404 2.670 725 2HH2 ARG 99 2HH2 ARG 99 -6.929 3.103 2.526 726 H ARG 100 H ARG 100 -11.717 -4.384 5.382 727 HA ARG 100 HA ARG 100 -13.877 -5.210 4.008 728 1HB ARG 100 1HB ARG 100 -15.140 -4.939 6.142 729 2HB ARG 100 2HB ARG 100 -13.543 -5.599 6.433 730 1HG ARG 100 1HG ARG 100 -13.385 -2.698 6.479 731 2HG ARG 100 2HG ARG 100 -14.685 -3.213 7.536 732 1HD ARG 100 1HD ARG 100 -13.237 -4.091 9.071 733 2HD ARG 100 2HD ARG 100 -12.298 -4.915 7.843 734 HE ARG 100 HE ARG 100 -11.535 -2.323 7.439 735 1HH1 ARG 100 1HH1 ARG 100 -11.795 -4.244 10.375 736 2HH1 ARG 100 2HH1 ARG 100 -10.532 -3.391 11.198 737 1HH2 ARG 100 1HH2 ARG 100 -9.868 -1.198 8.523 738 2HH2 ARG 100 2HH2 ARG 100 -9.428 -1.647 10.137 739 H THR 101 H THR 101 -16.228 -4.122 4.306 740 HA THR 101 HA THR 101 -15.982 -1.452 3.139 741 HB THR 101 HB THR 101 -17.244 -3.372 2.004 742 HG1 THR 101 HG1 THR 101 -18.638 -0.987 3.000 743 1HG2 THR 101 1HG2 THR 101 -19.508 -3.864 2.835 744 2HG2 THR 101 2HG2 THR 101 -18.341 -4.274 4.115 745 3HG2 THR 101 3HG2 THR 101 -19.276 -2.762 4.213 746 H SER 102 H SER 102 -16.880 0.392 3.992 747 HA SER 102 HA SER 102 -18.648 0.267 6.167 748 1HB SER 102 1HB SER 102 -16.489 -0.325 7.326 749 2HB SER 102 2HB SER 102 -15.818 1.209 6.808 750 HG SER 102 HG SER 102 -17.177 2.329 8.165 751 H GLY 103 H GLY 103 -19.341 2.483 6.829 752 1HA GLY 103 1HA GLY 103 -18.417 4.890 6.181 753 2HA GLY 103 2HA GLY 103 -19.009 4.352 4.622 754 HA PRO 104 HA PRO 104 -22.595 5.027 7.691 755 1HB PRO 104 1HB PRO 104 -22.228 7.106 9.426 756 2HB PRO 104 2HB PRO 104 -21.994 5.429 9.877 757 1HG PRO 104 1HG PRO 104 -19.959 7.503 9.333 758 2HG PRO 104 2HG PRO 104 -19.775 5.980 10.180 759 1HD PRO 104 1HD PRO 104 -18.934 6.566 7.501 760 2HD PRO 104 2HD PRO 104 -18.856 5.012 8.308 761 H SER 105 H SER 105 -20.703 7.870 6.836 762 HA SER 105 HA SER 105 -22.937 8.637 5.174 763 1HB SER 105 1HB SER 105 -22.001 10.105 7.588 764 2HB SER 105 2HB SER 105 -22.180 11.103 6.158 765 HG SER 105 HG SER 105 -24.271 11.109 6.584 766 H SER 106 H SER 106 -19.768 9.960 6.405 767 HA SER 106 HA SER 106 -19.057 11.142 4.039 768 1HB SER 106 1HB SER 106 -17.267 9.971 6.216 769 2HB SER 106 2HB SER 106 -16.718 11.075 4.971 770 HG SER 106 HG SER 106 -17.222 12.215 6.929 771 H GLY 107 H GLY 107 -18.360 10.348 2.080 772 1HA GLY 107 1HA GLY 107 -18.434 7.708 1.370 773 2HA GLY 107 2HA GLY 107 -17.511 8.944 0.538 Start of MODEL 16 1 1H GLY 1 1H GLY 1 -11.537 -16.591 8.492 2 1HA GLY 1 1HA GLY 1 -12.588 -16.520 10.658 3 2HA GLY 1 2HA GLY 1 -12.215 -14.888 10.141 4 H SER 2 H SER 2 -13.999 -14.341 11.726 5 HA SER 2 HA SER 2 -16.631 -15.023 10.794 6 1HB SER 2 1HB SER 2 -17.326 -13.651 12.842 7 2HB SER 2 2HB SER 2 -16.398 -15.101 13.167 8 HG SER 2 HG SER 2 -15.167 -13.748 14.301 9 H SER 3 H SER 3 -18.024 -13.615 9.710 10 HA SER 3 HA SER 3 -18.572 -11.948 8.421 11 1HB SER 3 1HB SER 3 -18.344 -10.965 11.019 12 2HB SER 3 2HB SER 3 -17.443 -9.782 10.091 13 HG SER 3 HG SER 3 -19.265 -9.032 9.247 14 H GLY 4 H GLY 4 -16.960 -12.556 6.769 15 1HA GLY 4 1HA GLY 4 -15.435 -10.436 5.826 16 2HA GLY 4 2HA GLY 4 -14.348 -11.460 6.743 17 H SER 5 H SER 5 -17.097 -11.890 4.390 18 HA SER 5 HA SER 5 -15.503 -14.008 3.188 19 1HB SER 5 1HB SER 5 -17.993 -14.278 4.089 20 2HB SER 5 2HB SER 5 -18.422 -13.551 2.553 21 HG SER 5 HG SER 5 -18.306 -15.597 1.879 22 H SER 6 H SER 6 -14.178 -12.822 1.753 23 HA SER 6 HA SER 6 -13.665 -11.882 -0.141 24 1HB SER 6 1HB SER 6 -16.135 -13.014 -0.746 25 2HB SER 6 2HB SER 6 -16.373 -11.341 -1.212 26 HG SER 6 HG SER 6 -14.931 -13.301 -2.485 27 H GLY 7 H GLY 7 -12.958 -10.019 1.112 28 1HA GLY 7 1HA GLY 7 -14.683 -7.905 1.841 29 2HA GLY 7 2HA GLY 7 -12.934 -7.859 1.740 30 H LYS 8 H LYS 8 -12.628 -5.901 0.666 31 HA LYS 8 HA LYS 8 -13.501 -5.900 -2.114 32 1HB LYS 8 1HB LYS 8 -14.655 -4.240 -0.070 33 2HB LYS 8 2HB LYS 8 -13.752 -3.227 -1.178 34 1HG LYS 8 1HG LYS 8 -15.724 -3.338 -2.378 35 2HG LYS 8 2HG LYS 8 -14.967 -4.783 -3.018 36 1HD LYS 8 1HD LYS 8 -16.348 -6.222 -1.815 37 2HD LYS 8 2HD LYS 8 -16.530 -5.109 -0.474 38 1HE LYS 8 1HE LYS 8 -17.681 -4.062 -2.993 39 2HE LYS 8 2HE LYS 8 -18.422 -5.566 -2.484 40 1HZ LYS 8 1HZ LYS 8 -18.161 -4.055 -0.220 41 2HZ LYS 8 2HZ LYS 8 -18.694 -3.013 -1.359 42 3HZ LYS 8 3HZ LYS 8 -19.541 -4.371 -1.034 43 H SER 9 H SER 9 -12.177 -4.470 -3.477 44 HA SER 9 HA SER 9 -9.598 -4.002 -2.196 45 1HB SER 9 1HB SER 9 -8.519 -4.524 -4.291 46 2HB SER 9 2HB SER 9 -9.657 -5.814 -3.956 47 HG SER 9 HG SER 9 -9.982 -3.615 -5.805 48 H LEU 10 H LEU 10 -9.137 -1.848 -1.959 49 HA LEU 10 HA LEU 10 -10.450 -0.001 -3.820 50 1HB LEU 10 1HB LEU 10 -9.225 0.716 -1.168 51 2HB LEU 10 2HB LEU 10 -10.354 1.642 -2.137 52 HG LEU 10 HG LEU 10 -10.982 -0.937 -0.674 53 1HD1 LEU 10 1HD1 LEU 10 -10.622 1.476 0.485 54 2HD1 LEU 10 2HD1 LEU 10 -12.345 1.588 0.051 55 3HD1 LEU 10 3HD1 LEU 10 -11.769 0.249 1.073 56 1HD2 LEU 10 1HD2 LEU 10 -13.352 0.403 -1.380 57 2HD2 LEU 10 2HD2 LEU 10 -12.340 0.389 -2.844 58 3HD2 LEU 10 3HD2 LEU 10 -12.734 -1.139 -2.020 59 H THR 11 H THR 11 -9.193 1.816 -4.656 60 HA THR 11 HA THR 11 -6.359 1.072 -4.922 61 HB THR 11 HB THR 11 -7.777 3.004 -6.762 62 HG1 THR 11 HG1 THR 11 -8.078 0.105 -6.462 63 1HG2 THR 11 1HG2 THR 11 -5.756 0.727 -7.055 64 2HG2 THR 11 2HG2 THR 11 -6.530 1.513 -8.452 65 3HG2 THR 11 3HG2 THR 11 -5.484 2.458 -7.364 66 H LEU 12 H LEU 12 -4.717 2.514 -4.503 67 HA LEU 12 HA LEU 12 -5.513 5.185 -3.654 68 1HB LEU 12 1HB LEU 12 -3.556 4.301 -1.816 69 2HB LEU 12 2HB LEU 12 -5.196 4.839 -1.508 70 HG LEU 12 HG LEU 12 -5.711 2.294 -2.247 71 1HD1 LEU 12 1HD1 LEU 12 -2.840 2.379 -1.611 72 2HD1 LEU 12 2HD1 LEU 12 -3.760 1.143 -0.719 73 3HD1 LEU 12 3HD1 LEU 12 -3.792 1.165 -2.499 74 1HD2 LEU 12 1HD2 LEU 12 -6.487 2.127 -0.157 75 2HD2 LEU 12 2HD2 LEU 12 -4.888 2.429 0.566 76 3HD2 LEU 12 3HD2 LEU 12 -5.901 3.796 0.043 77 H VAL 13 H VAL 13 -4.087 6.739 -4.327 78 HA VAL 13 HA VAL 13 -1.745 5.732 -5.755 79 HB VAL 13 HB VAL 13 -3.678 7.334 -6.626 80 1HG1 VAL 13 1HG1 VAL 13 -3.099 9.677 -6.506 81 2HG1 VAL 13 2HG1 VAL 13 -3.237 9.035 -4.852 82 3HG1 VAL 13 3HG1 VAL 13 -1.631 9.311 -5.568 83 1HG2 VAL 13 1HG2 VAL 13 -2.270 7.930 -8.417 84 2HG2 VAL 13 2HG2 VAL 13 -0.823 7.982 -7.382 85 3HG2 VAL 13 3HG2 VAL 13 -1.573 6.419 -7.785 86 H LEU 14 H LEU 14 0.174 5.769 -4.717 87 HA LEU 14 HA LEU 14 0.464 7.721 -2.548 88 1HB LEU 14 1HB LEU 14 2.004 5.169 -3.039 89 2HB LEU 14 2HB LEU 14 2.165 6.238 -1.659 90 HG LEU 14 HG LEU 14 -0.197 4.486 -2.368 91 1HD1 LEU 14 1HD1 LEU 14 1.208 4.461 0.271 92 2HD1 LEU 14 2HD1 LEU 14 0.381 3.149 -0.603 93 3HD1 LEU 14 3HD1 LEU 14 1.993 3.691 -1.128 94 1HD2 LEU 14 1HD2 LEU 14 -1.513 6.024 -1.432 95 2HD2 LEU 14 2HD2 LEU 14 -0.754 5.563 0.111 96 3HD2 LEU 14 3HD2 LEU 14 -0.132 6.957 -0.806 97 H HIS 15 H HIS 15 2.548 8.835 -2.335 98 HA HIS 15 HA HIS 15 3.897 9.043 -4.929 99 1HB HIS 15 1HB HIS 15 3.132 11.231 -2.984 100 2HB HIS 15 2HB HIS 15 4.301 11.461 -4.269 101 HD1 HIS 15 HD1 HIS 15 3.408 11.520 -6.732 102 HD2 HIS 15 HD2 HIS 15 0.431 11.083 -3.810 103 HE1 HIS 15 HE1 HIS 15 1.185 11.961 -7.905 104 H ARG 16 H ARG 16 6.147 10.308 -4.491 105 HA ARG 16 HA ARG 16 7.278 9.075 -2.111 106 1HB ARG 16 1HB ARG 16 8.363 9.125 -4.959 107 2HB ARG 16 2HB ARG 16 9.432 8.875 -3.593 108 1HG ARG 16 1HG ARG 16 7.175 7.136 -3.216 109 2HG ARG 16 2HG ARG 16 7.676 6.965 -4.886 110 1HD ARG 16 1HD ARG 16 9.277 6.425 -2.369 111 2HD ARG 16 2HD ARG 16 9.023 5.375 -3.749 112 HE ARG 16 HE ARG 16 10.996 7.560 -3.541 113 1HH1 ARG 16 1HH1 ARG 16 9.325 5.302 -5.662 114 2HH1 ARG 16 2HH1 ARG 16 10.512 5.407 -6.919 115 1HH2 ARG 16 1HH2 ARG 16 12.562 7.698 -5.200 116 2HH2 ARG 16 2HH2 ARG 16 12.365 6.778 -6.655 117 H ASP 17 H ASP 17 7.193 11.105 -0.966 118 HA ASP 17 HA ASP 17 8.063 13.485 -2.110 119 1HB ASP 17 1HB ASP 17 6.772 13.856 -0.215 120 2HB ASP 17 2HB ASP 17 7.423 12.467 0.633 121 H SER 18 H SER 18 9.748 10.665 -1.198 122 HA SER 18 HA SER 18 12.184 11.389 -1.856 123 1HB SER 18 1HB SER 18 12.549 13.152 -0.364 124 2HB SER 18 2HB SER 18 11.603 12.415 0.914 125 HG SER 18 HG SER 18 14.312 11.911 0.142 126 H GLY 19 H GLY 19 11.105 9.057 -2.150 127 1HA GLY 19 1HA GLY 19 11.082 6.855 -1.662 128 2HA GLY 19 2HA GLY 19 12.711 7.144 -1.085 129 H SER 20 H SER 20 9.478 8.211 0.189 130 HA SER 20 HA SER 20 10.151 6.745 2.617 131 1HB SER 20 1HB SER 20 9.207 9.592 2.273 132 2HB SER 20 2HB SER 20 8.716 8.713 3.707 133 HG SER 20 HG SER 20 10.819 8.555 4.402 134 H LEU 21 H LEU 21 7.675 8.075 0.385 135 HA LEU 21 HA LEU 21 5.649 7.362 -0.139 136 1HB LEU 21 1HB LEU 21 6.413 4.976 1.541 137 2HB LEU 21 2HB LEU 21 4.887 5.104 0.689 138 HG LEU 21 HG LEU 21 6.470 3.754 -0.564 139 1HD1 LEU 21 1HD1 LEU 21 5.894 6.427 -1.868 140 2HD1 LEU 21 2HD1 LEU 21 6.396 4.954 -2.731 141 3HD1 LEU 21 3HD1 LEU 21 4.847 4.988 -1.854 142 1HD2 LEU 21 1HD2 LEU 21 8.541 4.774 0.309 143 2HD2 LEU 21 2HD2 LEU 21 8.540 4.631 -1.466 144 3HD2 LEU 21 3HD2 LEU 21 8.241 6.210 -0.699 145 H GLY 22 H GLY 22 6.365 6.770 3.367 146 1HA GLY 22 1HA GLY 22 5.448 8.156 5.039 147 2HA GLY 22 2HA GLY 22 4.074 8.503 4.008 148 H PHE 23 H PHE 23 5.688 5.402 5.018 149 HA PHE 23 HA PHE 23 3.738 4.616 6.809 150 1HB PHE 23 1HB PHE 23 2.265 3.272 5.461 151 2HB PHE 23 2HB PHE 23 2.478 4.712 4.486 152 HD1 PHE 23 HD1 PHE 23 4.805 4.484 2.992 153 HD2 PHE 23 HD2 PHE 23 2.266 1.325 4.249 154 HE1 PHE 23 HE1 PHE 23 5.617 3.072 1.083 155 HE2 PHE 23 HE2 PHE 23 3.079 -0.088 2.340 156 HZ PHE 23 HZ PHE 23 4.745 0.803 0.780 157 H ASN 24 H ASN 24 3.786 2.060 7.065 158 HA ASN 24 HA ASN 24 6.430 1.150 6.259 159 1HB ASN 24 1HB ASN 24 6.075 1.938 8.786 160 2HB ASN 24 2HB ASN 24 5.257 0.398 8.960 161 1HD2 ASN 24 1HD2 ASN 24 6.465 -1.169 9.674 162 2HD2 ASN 24 2HD2 ASN 24 8.161 -1.402 9.409 163 H ILE 25 H ILE 25 6.573 -1.331 6.372 164 HA ILE 25 HA ILE 25 3.912 -2.554 6.180 165 HB ILE 25 HB ILE 25 5.281 -4.054 4.452 166 1HG1 ILE 25 1HG1 ILE 25 6.491 -1.294 4.110 167 2HG1 ILE 25 2HG1 ILE 25 7.345 -2.713 4.683 168 1HG2 ILE 25 1HG2 ILE 25 3.302 -1.991 4.330 169 2HG2 ILE 25 2HG2 ILE 25 4.365 -1.859 2.909 170 3HG2 ILE 25 3HG2 ILE 25 3.535 -3.394 3.260 171 1HD1 ILE 25 1HD1 ILE 25 7.316 -3.761 2.590 172 2HD1 ILE 25 2HD1 ILE 25 5.852 -2.896 2.064 173 3HD1 ILE 25 3HD1 ILE 25 7.417 -2.049 2.111 174 H ILE 26 H ILE 26 3.950 -4.945 6.583 175 HA ILE 26 HA ILE 26 6.256 -5.744 8.194 176 HB ILE 26 HB ILE 26 5.023 -6.325 10.044 177 1HG1 ILE 26 1HG1 ILE 26 2.442 -6.043 8.477 178 2HG1 ILE 26 2HG1 ILE 26 3.265 -7.561 8.772 179 1HG2 ILE 26 1HG2 ILE 26 4.001 -4.354 10.800 180 2HG2 ILE 26 2HG2 ILE 26 5.168 -3.816 9.569 181 3HG2 ILE 26 3HG2 ILE 26 3.436 -3.912 9.171 182 1HD1 ILE 26 1HD1 ILE 26 1.430 -7.108 10.424 183 2HD1 ILE 26 2HD1 ILE 26 3.020 -7.292 11.201 184 3HD1 ILE 26 3HD1 ILE 26 2.322 -5.670 10.976 185 H GLY 27 H GLY 27 6.349 -8.141 8.505 186 1HA GLY 27 1HA GLY 27 5.873 -10.297 7.867 187 2HA GLY 27 2HA GLY 27 4.694 -9.718 6.707 188 H GLY 28 H GLY 28 7.855 -10.965 7.124 189 1HA GLY 28 1HA GLY 28 8.407 -11.239 4.432 190 2HA GLY 28 2HA GLY 28 9.169 -9.738 4.918 191 H ARG 29 H ARG 29 9.737 -12.989 4.523 192 HA ARG 29 HA ARG 29 11.784 -12.915 6.592 193 1HB ARG 29 1HB ARG 29 10.093 -15.264 5.621 194 2HB ARG 29 2HB ARG 29 11.577 -15.504 6.521 195 1HG ARG 29 1HG ARG 29 10.671 -14.729 8.507 196 2HG ARG 29 2HG ARG 29 9.658 -13.541 7.712 197 1HD ARG 29 1HD ARG 29 7.884 -14.989 7.525 198 2HD ARG 29 2HD ARG 29 8.903 -16.337 7.063 199 HE ARG 29 HE ARG 29 8.026 -15.668 9.765 200 1HH1 ARG 29 1HH1 ARG 29 10.538 -17.276 7.899 201 2HH1 ARG 29 2HH1 ARG 29 11.007 -18.326 9.194 202 1HH2 ARG 29 1HH2 ARG 29 8.644 -17.053 11.475 203 2HH2 ARG 29 2HH2 ARG 29 9.922 -18.198 11.242 204 HA PRO 30 HA PRO 30 14.543 -13.779 3.328 205 1HB PRO 30 1HB PRO 30 16.603 -15.037 4.609 206 2HB PRO 30 2HB PRO 30 16.382 -13.299 4.629 207 1HG PRO 30 1HG PRO 30 15.847 -15.260 6.775 208 2HG PRO 30 2HG PRO 30 16.040 -13.522 6.899 209 1HD PRO 30 1HD PRO 30 13.575 -14.985 6.991 210 2HD PRO 30 2HD PRO 30 13.760 -13.243 6.997 211 H SER 31 H SER 31 12.929 -15.138 2.263 212 HA SER 31 HA SER 31 13.361 -17.934 2.720 213 1HB SER 31 1HB SER 31 11.259 -16.282 1.646 214 2HB SER 31 2HB SER 31 11.709 -17.439 0.410 215 HG SER 31 HG SER 31 11.261 -18.279 3.130 216 H VAL 32 H VAL 32 13.407 -19.300 0.474 217 HA VAL 32 HA VAL 32 15.336 -18.009 -1.316 218 HB VAL 32 HB VAL 32 15.550 -20.710 0.019 219 1HG1 VAL 32 1HG1 VAL 32 17.661 -20.943 -1.366 220 2HG1 VAL 32 2HG1 VAL 32 16.129 -21.117 -2.256 221 3HG1 VAL 32 3HG1 VAL 32 17.055 -19.601 -2.366 222 1HG2 VAL 32 1HG2 VAL 32 17.657 -19.890 0.876 223 2HG2 VAL 32 2HG2 VAL 32 17.499 -18.383 -0.058 224 3HG2 VAL 32 3HG2 VAL 32 16.376 -18.722 1.281 225 H ASP 33 H ASP 33 13.389 -21.045 -0.820 226 HA ASP 33 HA ASP 33 13.149 -21.711 -3.426 227 1HB ASP 33 1HB ASP 33 11.526 -22.130 -0.951 228 2HB ASP 33 2HB ASP 33 10.672 -22.421 -2.453 229 H ASN 34 H ASN 34 11.367 -21.361 -5.018 230 HA ASN 34 HA ASN 34 9.750 -19.021 -4.418 231 1HB ASN 34 1HB ASN 34 11.935 -18.961 -6.159 232 2HB ASN 34 2HB ASN 34 10.609 -19.284 -7.258 233 1HD2 ASN 34 1HD2 ASN 34 10.301 -17.409 -8.240 234 2HD2 ASN 34 2HD2 ASN 34 9.935 -15.897 -7.478 235 H HIS 35 H HIS 35 7.928 -18.849 -6.234 236 HA HIS 35 HA HIS 35 6.149 -19.756 -7.144 237 1HB HIS 35 1HB HIS 35 7.676 -20.248 -8.954 238 2HB HIS 35 2HB HIS 35 8.199 -21.730 -8.179 239 HD1 HIS 35 HD1 HIS 35 7.435 -23.059 -10.329 240 HD2 HIS 35 HD2 HIS 35 4.345 -21.124 -8.255 241 HE1 HIS 35 HE1 HIS 35 5.254 -24.033 -11.224 242 H ASP 36 H ASP 36 5.342 -20.165 -4.933 243 HA ASP 36 HA ASP 36 4.595 -22.884 -4.705 244 1HB ASP 36 1HB ASP 36 6.757 -21.757 -3.001 245 2HB ASP 36 2HB ASP 36 5.468 -22.518 -2.090 246 H GLY 37 H GLY 37 2.498 -22.841 -3.835 247 1HA GLY 37 1HA GLY 37 1.355 -20.348 -3.054 248 2HA GLY 37 2HA GLY 37 0.583 -21.922 -3.068 249 H SER 38 H SER 38 1.519 -23.519 -1.275 250 HA SER 38 HA SER 38 0.760 -22.591 1.128 251 1HB SER 38 1HB SER 38 2.666 -24.806 0.327 252 2HB SER 38 2HB SER 38 2.345 -24.498 2.022 253 HG SER 38 HG SER 38 0.411 -25.174 -0.024 254 H SER 39 H SER 39 1.685 -21.451 2.848 255 HA SER 39 HA SER 39 3.062 -20.153 3.909 256 1HB SER 39 1HB SER 39 4.474 -22.472 3.562 257 2HB SER 39 2HB SER 39 5.573 -21.337 2.803 258 HG SER 39 HG SER 39 5.518 -20.054 4.774 259 H SER 40 H SER 40 2.813 -18.108 3.003 260 HA SER 40 HA SER 40 4.872 -17.337 1.151 261 1HB SER 40 1HB SER 40 1.963 -17.494 0.457 262 2HB SER 40 2HB SER 40 2.800 -16.045 -0.061 263 HG SER 40 HG SER 40 4.450 -18.048 -0.688 264 H GLU 41 H GLU 41 5.761 -15.549 2.110 265 HA GLU 41 HA GLU 41 4.870 -14.280 4.258 266 1HB GLU 41 1HB GLU 41 6.181 -12.238 3.359 267 2HB GLU 41 2HB GLU 41 7.052 -13.752 3.512 268 1HG GLU 41 1HG GLU 41 5.674 -13.314 0.890 269 2HG GLU 41 2HG GLU 41 7.017 -12.239 1.226 270 H GLY 42 H GLY 42 3.928 -12.049 4.607 271 1HA GLY 42 1HA GLY 42 1.961 -11.354 2.514 272 2HA GLY 42 2HA GLY 42 1.490 -11.541 4.191 273 H ILE 43 H ILE 43 1.720 -9.160 2.154 274 HA ILE 43 HA ILE 43 3.450 -7.441 3.769 275 HB ILE 43 HB ILE 43 2.202 -6.918 1.071 276 1HG1 ILE 43 1HG1 ILE 43 3.654 -8.725 0.689 277 2HG1 ILE 43 2HG1 ILE 43 4.574 -7.300 0.249 278 1HG2 ILE 43 1HG2 ILE 43 4.260 -5.261 1.120 279 2HG2 ILE 43 2HG2 ILE 43 2.689 -4.818 1.831 280 3HG2 ILE 43 3HG2 ILE 43 4.015 -5.378 2.879 281 1HD1 ILE 43 1HD1 ILE 43 5.458 -7.350 2.712 282 2HD1 ILE 43 2HD1 ILE 43 4.838 -9.018 2.735 283 3HD1 ILE 43 3HD1 ILE 43 6.095 -8.552 1.564 284 H PHE 44 H PHE 44 2.542 -6.203 5.313 285 HA PHE 44 HA PHE 44 -0.172 -5.242 4.826 286 1HB PHE 44 1HB PHE 44 0.997 -6.667 7.287 287 2HB PHE 44 2HB PHE 44 -0.502 -5.763 7.364 288 HD1 PHE 44 HD1 PHE 44 -2.538 -6.678 6.520 289 HD2 PHE 44 HD2 PHE 44 1.125 -8.727 5.898 290 HE1 PHE 44 HE1 PHE 44 -3.804 -8.714 5.777 291 HE2 PHE 44 HE2 PHE 44 -0.140 -10.763 5.155 292 HZ PHE 44 HZ PHE 44 -2.590 -10.733 5.103 293 H VAL 45 H VAL 45 -0.692 -3.255 5.936 294 HA VAL 45 HA VAL 45 1.707 -1.742 6.581 295 HB VAL 45 HB VAL 45 -1.166 -0.915 6.118 296 1HG1 VAL 45 1HG1 VAL 45 -0.059 0.682 7.577 297 2HG1 VAL 45 2HG1 VAL 45 1.340 0.763 6.478 298 3HG1 VAL 45 3HG1 VAL 45 -0.243 1.384 5.951 299 1HG2 VAL 45 1HG2 VAL 45 -0.544 -0.272 3.932 300 2HG2 VAL 45 2HG2 VAL 45 1.193 -0.437 4.286 301 3HG2 VAL 45 3HG2 VAL 45 0.169 -1.887 4.161 302 H SER 46 H SER 46 2.308 -1.287 8.639 303 HA SER 46 HA SER 46 0.287 -1.802 10.677 304 1HB SER 46 1HB SER 46 2.291 -3.325 10.687 305 2HB SER 46 2HB SER 46 3.324 -1.932 10.941 306 HG SER 46 HG SER 46 1.262 -1.957 12.782 307 H LYS 47 H LYS 47 2.564 0.476 9.250 308 HA LYS 47 HA LYS 47 1.749 2.441 11.271 309 1HB LYS 47 1HB LYS 47 4.085 1.695 11.661 310 2HB LYS 47 2HB LYS 47 4.509 2.200 10.037 311 1HG LYS 47 1HG LYS 47 3.107 4.234 11.746 312 2HG LYS 47 2HG LYS 47 4.749 3.828 12.205 313 1HD LYS 47 1HD LYS 47 5.447 4.258 9.785 314 2HD LYS 47 2HD LYS 47 3.824 4.845 9.479 315 1HE LYS 47 1HE LYS 47 4.923 6.846 9.999 316 2HE LYS 47 2HE LYS 47 4.273 6.413 11.568 317 1HZ LYS 47 1HZ LYS 47 6.312 5.764 12.306 318 2HZ LYS 47 2HZ LYS 47 6.907 5.432 10.822 319 3HZ LYS 47 3HZ LYS 47 6.750 6.983 11.311 320 H ILE 48 H ILE 48 1.568 4.645 10.468 321 HA ILE 48 HA ILE 48 1.828 5.063 7.643 322 HB ILE 48 HB ILE 48 -0.843 4.657 8.930 323 1HG1 ILE 48 1HG1 ILE 48 0.575 3.721 6.449 324 2HG1 ILE 48 2HG1 ILE 48 -0.193 2.778 7.712 325 1HG2 ILE 48 1HG2 ILE 48 -1.967 5.959 7.278 326 2HG2 ILE 48 2HG2 ILE 48 -0.748 7.004 8.047 327 3HG2 ILE 48 3HG2 ILE 48 -0.442 6.319 6.433 328 1HD1 ILE 48 1HD1 ILE 48 -1.459 4.265 5.412 329 2HD1 ILE 48 2HD1 ILE 48 -1.797 2.627 6.021 330 3HD1 ILE 48 3HD1 ILE 48 -2.396 4.047 6.910 331 H VAL 49 H VAL 49 3.087 6.858 7.897 332 HA VAL 49 HA VAL 49 2.774 8.664 10.018 333 HB VAL 49 HB VAL 49 4.787 8.176 8.522 334 1HG1 VAL 49 1HG1 VAL 49 4.975 9.911 6.631 335 2HG1 VAL 49 2HG1 VAL 49 3.981 8.465 6.331 336 3HG1 VAL 49 3HG1 VAL 49 3.201 10.016 6.725 337 1HG2 VAL 49 1HG2 VAL 49 4.000 10.479 9.997 338 2HG2 VAL 49 2HG2 VAL 49 5.645 9.881 9.673 339 3HG2 VAL 49 3HG2 VAL 49 4.885 11.043 8.559 340 H ASP 50 H ASP 50 1.920 10.826 10.042 341 HA ASP 50 HA ASP 50 -0.483 10.998 8.568 342 1HB ASP 50 1HB ASP 50 -0.072 11.847 10.945 343 2HB ASP 50 2HB ASP 50 0.885 13.143 10.256 344 H SER 51 H SER 51 2.311 13.317 8.977 345 HA SER 51 HA SER 51 1.758 15.011 6.995 346 1HB SER 51 1HB SER 51 3.760 14.905 8.677 347 2HB SER 51 2HB SER 51 4.602 14.034 7.412 348 HG SER 51 HG SER 51 3.512 16.172 6.212 349 H GLY 52 H GLY 52 3.542 11.870 6.698 350 1HA GLY 52 1HA GLY 52 4.447 11.791 4.204 351 2HA GLY 52 2HA GLY 52 3.582 10.446 4.920 352 HA PRO 53 HA PRO 53 1.165 12.488 1.447 353 1HB PRO 53 1HB PRO 53 2.241 11.484 -0.855 354 2HB PRO 53 2HB PRO 53 2.617 13.080 -0.239 355 1HG PRO 53 1HG PRO 53 4.277 10.635 -0.183 356 2HG PRO 53 2HG PRO 53 4.772 12.302 0.029 357 1HD PRO 53 1HD PRO 53 4.445 10.334 2.089 358 2HD PRO 53 2HD PRO 53 4.827 12.030 2.311 359 H ALA 54 H ALA 54 2.071 9.486 2.498 360 HA ALA 54 HA ALA 54 0.262 8.022 0.814 361 1HB ALA 54 1HB ALA 54 2.200 6.853 1.538 362 2HB ALA 54 2HB ALA 54 1.986 7.378 3.226 363 3HB ALA 54 3HB ALA 54 0.869 6.188 2.515 364 H ALA 55 H ALA 55 0.255 9.648 3.982 365 HA ALA 55 HA ALA 55 -2.338 8.492 4.614 366 1HB ALA 55 1HB ALA 55 -0.776 8.573 6.434 367 2HB ALA 55 2HB ALA 55 -0.377 10.275 6.102 368 3HB ALA 55 3HB ALA 55 -1.982 9.845 6.740 369 H LYS 56 H LYS 56 -0.816 11.407 3.317 370 HA LYS 56 HA LYS 56 -2.952 13.165 3.848 371 1HB LYS 56 1HB LYS 56 -0.407 13.189 2.400 372 2HB LYS 56 2HB LYS 56 -1.645 14.129 1.593 373 1HG LYS 56 1HG LYS 56 -1.183 14.407 4.585 374 2HG LYS 56 2HG LYS 56 -0.200 15.296 3.439 375 1HD LYS 56 1HD LYS 56 -3.221 15.387 3.204 376 2HD LYS 56 2HD LYS 56 -2.417 16.385 4.399 377 1HE LYS 56 1HE LYS 56 -1.246 17.643 2.760 378 2HE LYS 56 2HE LYS 56 -1.423 16.403 1.535 379 1HZ LYS 56 1HZ LYS 56 -3.661 16.935 1.269 380 2HZ LYS 56 2HZ LYS 56 -3.739 17.814 2.643 381 3HZ LYS 56 3HZ LYS 56 -2.913 18.383 1.354 382 H GLU 57 H GLU 57 -1.937 12.196 0.522 383 HA GLU 57 HA GLU 57 -4.769 12.049 -0.101 384 1HB GLU 57 1HB GLU 57 -3.889 12.156 -2.515 385 2HB GLU 57 2HB GLU 57 -3.678 13.597 -1.540 386 1HG GLU 57 1HG GLU 57 -1.345 13.143 -1.169 387 2HG GLU 57 2HG GLU 57 -1.497 11.483 -1.707 388 H GLY 58 H GLY 58 -1.809 10.160 0.175 389 1HA GLY 58 1HA GLY 58 -1.943 8.062 -1.429 390 2HA GLY 58 2HA GLY 58 -1.645 7.885 0.289 391 H GLY 59 H GLY 59 -3.998 8.303 1.570 392 1HA GLY 59 1HA GLY 59 -6.207 7.676 1.756 393 2HA GLY 59 2HA GLY 59 -6.138 6.883 0.194 394 H LEU 60 H LEU 60 -3.337 6.028 1.914 395 HA LEU 60 HA LEU 60 -4.188 3.361 2.206 396 1HB LEU 60 1HB LEU 60 -1.854 4.319 1.780 397 2HB LEU 60 2HB LEU 60 -1.778 4.611 3.506 398 HG LEU 60 HG LEU 60 -1.924 2.272 4.004 399 1HD1 LEU 60 1HD1 LEU 60 -2.709 2.002 1.120 400 2HD1 LEU 60 2HD1 LEU 60 -1.933 0.642 1.966 401 3HD1 LEU 60 3HD1 LEU 60 -3.464 1.314 2.578 402 1HD2 LEU 60 1HD2 LEU 60 -0.021 2.419 1.666 403 2HD2 LEU 60 2HD2 LEU 60 0.269 3.296 3.188 404 3HD2 LEU 60 3HD2 LEU 60 0.148 1.520 3.194 405 H GLN 61 H GLN 61 -4.198 2.110 4.273 406 HA GLN 61 HA GLN 61 -4.762 3.714 6.595 407 1HB GLN 61 1HB GLN 61 -6.899 2.922 5.031 408 2HB GLN 61 2HB GLN 61 -6.797 1.592 6.168 409 1HG GLN 61 1HG GLN 61 -6.981 3.100 8.075 410 2HG GLN 61 2HG GLN 61 -6.798 4.511 7.053 411 1HE2 GLN 61 1HE2 GLN 61 -8.720 1.526 6.772 412 2HE2 GLN 61 2HE2 GLN 61 -10.271 2.278 6.597 413 H ILE 62 H ILE 62 -3.754 2.788 8.332 414 HA ILE 62 HA ILE 62 -2.152 0.647 8.228 415 HB ILE 62 HB ILE 62 -3.796 1.393 10.646 416 1HG1 ILE 62 1HG1 ILE 62 -1.786 2.927 9.137 417 2HG1 ILE 62 2HG1 ILE 62 -3.010 3.470 10.268 418 1HG2 ILE 62 1HG2 ILE 62 -2.351 -0.687 10.712 419 2HG2 ILE 62 2HG2 ILE 62 -0.947 0.391 10.533 420 3HG2 ILE 62 3HG2 ILE 62 -2.014 0.547 11.949 421 1HD1 ILE 62 1HD1 ILE 62 -1.572 2.531 12.155 422 2HD1 ILE 62 2HD1 ILE 62 -0.300 2.247 10.943 423 3HD1 ILE 62 3HD1 ILE 62 -0.855 3.904 11.279 424 H HIS 63 H HIS 63 -2.282 -1.597 8.990 425 HA HIS 63 HA HIS 63 -3.158 -3.607 8.975 426 1HB HIS 63 1HB HIS 63 -5.941 -2.679 9.509 427 2HB HIS 63 2HB HIS 63 -5.043 -4.008 10.216 428 HD1 HIS 63 HD1 HIS 63 -6.287 -0.743 11.041 429 HD2 HIS 63 HD2 HIS 63 -2.826 -2.910 12.004 430 HE1 HIS 63 HE1 HIS 63 -5.320 0.347 13.136 431 H ASP 64 H ASP 64 -2.891 -2.219 6.499 432 HA ASP 64 HA ASP 64 -5.217 -3.261 5.080 433 1HB ASP 64 1HB ASP 64 -3.510 -0.823 4.725 434 2HB ASP 64 2HB ASP 64 -3.991 -1.632 3.247 435 H ARG 65 H ARG 65 -4.759 -4.985 3.685 436 HA ARG 65 HA ARG 65 -1.995 -5.704 3.418 437 1HB ARG 65 1HB ARG 65 -3.892 -7.349 3.989 438 2HB ARG 65 2HB ARG 65 -4.447 -7.174 2.336 439 1HG ARG 65 1HG ARG 65 -1.934 -7.767 1.714 440 2HG ARG 65 2HG ARG 65 -1.871 -8.410 3.343 441 1HD ARG 65 1HD ARG 65 -3.540 -10.053 2.901 442 2HD ARG 65 2HD ARG 65 -4.156 -9.194 1.504 443 HE ARG 65 HE ARG 65 -1.497 -9.785 0.855 444 1HH1 ARG 65 1HH1 ARG 65 -4.345 -11.644 1.755 445 2HH1 ARG 65 2HH1 ARG 65 -3.867 -13.049 0.862 446 1HH2 ARG 65 1HH2 ARG 65 -0.865 -11.638 -0.323 447 2HH2 ARG 65 2HH2 ARG 65 -1.874 -13.046 -0.327 448 H ILE 66 H ILE 66 -0.925 -4.603 1.779 449 HA ILE 66 HA ILE 66 -2.166 -3.497 -0.442 450 HB ILE 66 HB ILE 66 0.706 -4.389 -0.325 451 1HG1 ILE 66 1HG1 ILE 66 -0.698 -2.286 1.278 452 2HG1 ILE 66 2HG1 ILE 66 0.588 -3.380 1.747 453 1HG2 ILE 66 1HG2 ILE 66 -0.037 -3.466 -2.452 454 2HG2 ILE 66 2HG2 ILE 66 -0.664 -2.019 -1.625 455 3HG2 ILE 66 3HG2 ILE 66 1.085 -2.349 -1.637 456 1HD1 ILE 66 1HD1 ILE 66 2.088 -2.095 0.066 457 2HD1 ILE 66 2HD1 ILE 66 0.797 -0.870 0.046 458 3HD1 ILE 66 3HD1 ILE 66 1.641 -1.248 1.566 459 H ILE 67 H ILE 67 -2.454 -4.168 -2.592 460 HA ILE 67 HA ILE 67 -2.180 -7.071 -2.943 461 HB ILE 67 HB ILE 67 -4.048 -5.346 -4.527 462 1HG1 ILE 67 1HG1 ILE 67 -4.366 -4.915 -2.046 463 2HG1 ILE 67 2HG1 ILE 67 -5.769 -5.481 -2.930 464 1HG2 ILE 67 1HG2 ILE 67 -3.538 -8.213 -4.122 465 2HG2 ILE 67 2HG2 ILE 67 -5.256 -7.754 -4.056 466 3HG2 ILE 67 3HG2 ILE 67 -4.283 -7.353 -5.491 467 1HD1 ILE 67 1HD1 ILE 67 -5.710 -7.612 -1.956 468 2HD1 ILE 67 2HD1 ILE 67 -3.965 -7.520 -1.618 469 3HD1 ILE 67 3HD1 ILE 67 -5.115 -6.601 -0.618 470 H GLU 68 H GLU 68 -1.955 -3.856 -4.596 471 HA GLU 68 HA GLU 68 0.264 -4.938 -6.082 472 1HB GLU 68 1HB GLU 68 -2.251 -4.867 -7.277 473 2HB GLU 68 2HB GLU 68 -1.541 -3.357 -7.813 474 1HG GLU 68 1HG GLU 68 -0.185 -4.441 -9.273 475 2HG GLU 68 2HG GLU 68 0.463 -5.451 -7.996 476 H VAL 69 H VAL 69 1.652 -3.234 -7.011 477 HA VAL 69 HA VAL 69 0.984 -0.531 -6.147 478 HB VAL 69 HB VAL 69 2.483 -2.041 -4.521 479 1HG1 VAL 69 1HG1 VAL 69 4.222 -2.546 -6.126 480 2HG1 VAL 69 2HG1 VAL 69 4.456 -0.817 -6.477 481 3HG1 VAL 69 3HG1 VAL 69 4.882 -1.465 -4.875 482 1HG2 VAL 69 1HG2 VAL 69 2.705 -0.116 -3.380 483 2HG2 VAL 69 2HG2 VAL 69 3.589 0.678 -4.706 484 3HG2 VAL 69 3HG2 VAL 69 1.810 0.622 -4.730 485 H ASN 70 H ASN 70 1.168 0.742 -7.910 486 HA ASN 70 HA ASN 70 1.806 1.521 -9.829 487 1HB ASN 70 1HB ASN 70 4.110 1.393 -8.461 488 2HB ASN 70 2HB ASN 70 4.517 0.167 -9.646 489 1HD2 ASN 70 1HD2 ASN 70 4.460 3.429 -8.937 490 2HD2 ASN 70 2HD2 ASN 70 4.745 4.098 -10.509 491 H GLY 71 H GLY 71 0.927 -1.462 -9.431 492 1HA GLY 71 1HA GLY 71 0.178 -2.814 -11.202 493 2HA GLY 71 2HA GLY 71 1.543 -2.310 -12.178 494 H ARG 72 H ARG 72 2.870 -2.715 -9.155 495 HA ARG 72 HA ARG 72 3.776 -5.344 -9.905 496 1HB ARG 72 1HB ARG 72 5.001 -3.059 -8.723 497 2HB ARG 72 2HB ARG 72 4.972 -4.267 -7.454 498 1HG ARG 72 1HG ARG 72 5.775 -5.781 -9.638 499 2HG ARG 72 2HG ARG 72 6.514 -4.233 -9.996 500 1HD ARG 72 1HD ARG 72 7.558 -4.204 -7.717 501 2HD ARG 72 2HD ARG 72 6.820 -5.752 -7.360 502 HE ARG 72 HE ARG 72 8.456 -6.807 -8.660 503 1HH1 ARG 72 1HH1 ARG 72 8.384 -3.381 -9.459 504 2HH1 ARG 72 2HH1 ARG 72 9.789 -3.456 -10.469 505 1HH2 ARG 72 1HH2 ARG 72 10.310 -6.907 -9.992 506 2HH2 ARG 72 2HH2 ARG 72 10.892 -5.475 -10.774 507 H ASP 73 H ASP 73 3.125 -7.199 -8.824 508 HA ASP 73 HA ASP 73 1.168 -6.890 -6.796 509 1HB ASP 73 1HB ASP 73 1.347 -8.715 -8.655 510 2HB ASP 73 2HB ASP 73 2.538 -9.481 -7.622 511 H LEU 74 H LEU 74 1.461 -7.263 -4.544 512 HA LEU 74 HA LEU 74 4.092 -8.243 -3.714 513 1HB LEU 74 1HB LEU 74 2.752 -5.926 -2.343 514 2HB LEU 74 2HB LEU 74 4.388 -6.520 -2.144 515 HG LEU 74 HG LEU 74 3.342 -5.208 -4.667 516 1HD1 LEU 74 1HD1 LEU 74 3.350 -3.663 -2.734 517 2HD1 LEU 74 2HD1 LEU 74 5.083 -3.996 -2.503 518 3HD1 LEU 74 3HD1 LEU 74 4.520 -3.208 -3.996 519 1HD2 LEU 74 1HD2 LEU 74 5.402 -6.885 -4.590 520 2HD2 LEU 74 2HD2 LEU 74 5.411 -5.417 -5.596 521 3HD2 LEU 74 3HD2 LEU 74 6.247 -5.424 -4.025 522 H SER 75 H SER 75 0.983 -8.993 -3.935 523 HA SER 75 HA SER 75 0.100 -9.325 -1.344 524 1HB SER 75 1HB SER 75 -1.476 -10.972 -2.311 525 2HB SER 75 2HB SER 75 -1.365 -9.537 -3.311 526 HG SER 75 HG SER 75 0.208 -10.735 -4.659 527 H ARG 76 H ARG 76 2.150 -11.376 -3.476 528 HA ARG 76 HA ARG 76 2.479 -13.167 -1.206 529 1HB ARG 76 1HB ARG 76 3.333 -14.810 -2.989 530 2HB ARG 76 2HB ARG 76 1.626 -14.422 -3.080 531 1HG ARG 76 1HG ARG 76 1.929 -12.963 -4.951 532 2HG ARG 76 2HG ARG 76 3.653 -12.815 -4.673 533 1HD ARG 76 1HD ARG 76 3.921 -14.458 -6.228 534 2HD ARG 76 2HD ARG 76 3.323 -15.575 -5.018 535 HE ARG 76 HE ARG 76 1.836 -14.534 -7.328 536 1HH1 ARG 76 1HH1 ARG 76 1.594 -16.076 -4.175 537 2HH1 ARG 76 2HH1 ARG 76 0.027 -16.748 -4.482 538 1HH2 ARG 76 1HH2 ARG 76 -0.231 -15.419 -7.733 539 2HH2 ARG 76 2HH2 ARG 76 -1.018 -16.371 -6.519 540 H ALA 77 H ALA 77 3.848 -10.499 -1.933 541 HA ALA 77 HA ALA 77 6.565 -11.430 -2.446 542 1HB ALA 77 1HB ALA 77 5.666 -9.535 -3.760 543 2HB ALA 77 2HB ALA 77 5.383 -8.629 -2.254 544 3HB ALA 77 3HB ALA 77 7.044 -9.033 -2.750 545 H THR 78 H THR 78 8.234 -9.937 -1.070 546 HA THR 78 HA THR 78 7.376 -10.224 1.735 547 HB THR 78 HB THR 78 9.062 -11.914 1.040 548 HG1 THR 78 HG1 THR 78 10.598 -11.195 2.696 549 1HG2 THR 78 1HG2 THR 78 10.952 -9.569 0.544 550 2HG2 THR 78 2HG2 THR 78 11.241 -11.296 0.222 551 3HG2 THR 78 3HG2 THR 78 10.102 -10.379 -0.794 552 H HIS 79 H HIS 79 8.596 -8.780 3.280 553 HA HIS 79 HA HIS 79 8.084 -6.175 2.692 554 1HB HIS 79 1HB HIS 79 8.409 -7.022 4.947 555 2HB HIS 79 2HB HIS 79 10.102 -7.344 4.627 556 HD1 HIS 79 HD1 HIS 79 11.690 -5.205 4.318 557 HD2 HIS 79 HD2 HIS 79 7.811 -4.411 5.703 558 HE1 HIS 79 HE1 HIS 79 11.739 -2.835 5.263 559 H ASP 80 H ASP 80 11.003 -8.114 1.998 560 HA ASP 80 HA ASP 80 12.684 -6.002 1.416 561 1HB ASP 80 1HB ASP 80 12.706 -8.855 1.250 562 2HB ASP 80 2HB ASP 80 13.143 -8.281 -0.347 563 H GLN 81 H GLN 81 10.592 -8.106 -0.700 564 HA GLN 81 HA GLN 81 11.211 -6.728 -3.045 565 1HB GLN 81 1HB GLN 81 8.922 -8.575 -2.268 566 2HB GLN 81 2HB GLN 81 9.072 -7.912 -3.883 567 1HG GLN 81 1HG GLN 81 11.457 -8.864 -3.942 568 2HG GLN 81 2HG GLN 81 11.089 -9.690 -2.441 569 1HE2 GLN 81 1HE2 GLN 81 11.239 -11.725 -3.252 570 2HE2 GLN 81 2HE2 GLN 81 10.110 -12.424 -4.364 571 H ALA 82 H ALA 82 8.432 -6.537 -0.731 572 HA ALA 82 HA ALA 82 6.868 -4.740 -2.082 573 1HB ALA 82 1HB ALA 82 5.830 -5.517 -0.195 574 2HB ALA 82 2HB ALA 82 7.332 -5.523 0.760 575 3HB ALA 82 3HB ALA 82 6.457 -3.998 0.487 576 H VAL 83 H VAL 83 9.495 -4.018 0.328 577 HA VAL 83 HA VAL 83 9.360 -1.278 0.161 578 HB VAL 83 HB VAL 83 11.605 -3.209 0.710 579 1HG1 VAL 83 1HG1 VAL 83 12.948 -1.337 1.545 580 2HG1 VAL 83 2HG1 VAL 83 12.605 -1.148 -0.191 581 3HG1 VAL 83 3HG1 VAL 83 11.703 -0.187 1.004 582 1HG2 VAL 83 1HG2 VAL 83 10.748 -3.260 2.767 583 2HG2 VAL 83 2HG2 VAL 83 10.882 -1.490 2.897 584 3HG2 VAL 83 3HG2 VAL 83 9.410 -2.224 2.218 585 H GLU 84 H GLU 84 11.479 -3.537 -1.742 586 HA GLU 84 HA GLU 84 12.690 -1.656 -3.272 587 1HB GLU 84 1HB GLU 84 13.366 -3.999 -3.294 588 2HB GLU 84 2HB GLU 84 11.833 -4.491 -3.987 589 1HG GLU 84 1HG GLU 84 12.348 -3.627 -6.112 590 2HG GLU 84 2HG GLU 84 13.472 -2.441 -5.479 591 H ALA 85 H ALA 85 9.521 -3.308 -3.833 592 HA ALA 85 HA ALA 85 8.970 -2.287 -6.330 593 1HB ALA 85 1HB ALA 85 7.117 -2.912 -3.996 594 2HB ALA 85 2HB ALA 85 6.593 -2.690 -5.682 595 3HB ALA 85 3HB ALA 85 7.662 -4.047 -5.254 596 H PHE 86 H PHE 86 8.137 -0.909 -3.072 597 HA PHE 86 HA PHE 86 7.000 1.425 -4.146 598 1HB PHE 86 1HB PHE 86 8.132 0.440 -1.489 599 2HB PHE 86 2HB PHE 86 7.688 2.130 -1.627 600 HD1 PHE 86 HD1 PHE 86 6.509 -1.166 -0.995 601 HD2 PHE 86 HD2 PHE 86 5.280 2.657 -2.367 602 HE1 PHE 86 HE1 PHE 86 4.122 -1.752 -0.488 603 HE2 PHE 86 HE2 PHE 86 2.892 2.071 -1.859 604 HZ PHE 86 HZ PHE 86 2.342 -0.126 -0.926 605 H LYS 87 H LYS 87 10.321 0.413 -3.495 606 HA LYS 87 HA LYS 87 11.358 3.073 -3.394 607 1HB LYS 87 1HB LYS 87 12.603 1.507 -2.187 608 2HB LYS 87 2HB LYS 87 12.529 0.302 -3.458 609 1HG LYS 87 1HG LYS 87 14.032 1.628 -4.883 610 2HG LYS 87 2HG LYS 87 14.000 2.963 -3.748 611 1HD LYS 87 1HD LYS 87 14.933 0.208 -2.866 612 2HD LYS 87 2HD LYS 87 16.032 1.299 -3.687 613 1HE LYS 87 1HE LYS 87 15.063 3.034 -1.839 614 2HE LYS 87 2HE LYS 87 14.794 1.545 -0.955 615 1HZ LYS 87 1HZ LYS 87 17.368 2.278 -2.166 616 2HZ LYS 87 2HZ LYS 87 16.989 2.529 -0.597 617 3HZ LYS 87 3HZ LYS 87 17.082 1.007 -1.182 618 H THR 88 H THR 88 10.992 0.476 -5.860 619 HA THR 88 HA THR 88 12.228 2.188 -7.861 620 HB THR 88 HB THR 88 11.797 0.087 -9.272 621 HG1 THR 88 HG1 THR 88 10.041 -0.801 -8.080 622 1HG2 THR 88 1HG2 THR 88 13.811 -0.678 -8.515 623 2HG2 THR 88 2HG2 THR 88 13.679 0.440 -7.136 624 3HG2 THR 88 3HG2 THR 88 13.055 -1.221 -6.998 625 H ALA 89 H ALA 89 9.147 1.747 -6.460 626 HA ALA 89 HA ALA 89 7.484 1.926 -8.676 627 1HB ALA 89 1HB ALA 89 7.240 2.857 -5.796 628 2HB ALA 89 2HB ALA 89 5.901 2.973 -6.962 629 3HB ALA 89 3HB ALA 89 6.575 1.381 -6.535 630 H LYS 90 H LYS 90 6.404 3.757 -9.654 631 HA LYS 90 HA LYS 90 7.933 6.247 -9.334 632 1HB LYS 90 1HB LYS 90 7.169 4.703 -11.756 633 2HB LYS 90 2HB LYS 90 6.980 6.442 -11.859 634 1HG LYS 90 1HG LYS 90 9.534 4.989 -11.017 635 2HG LYS 90 2HG LYS 90 9.252 5.714 -12.588 636 1HD LYS 90 1HD LYS 90 8.679 7.676 -10.519 637 2HD LYS 90 2HD LYS 90 10.262 6.982 -10.228 638 1HE LYS 90 1HE LYS 90 10.990 8.505 -11.773 639 2HE LYS 90 2HE LYS 90 10.378 7.365 -12.956 640 1HZ LYS 90 1HZ LYS 90 8.225 8.551 -12.761 641 2HZ LYS 90 2HZ LYS 90 8.969 9.693 -11.862 642 3HZ LYS 90 3HZ LYS 90 9.428 9.445 -13.409 643 H GLU 91 H GLU 91 6.713 8.242 -9.609 644 HA GLU 91 HA GLU 91 4.016 7.853 -8.664 645 1HB GLU 91 1HB GLU 91 5.296 10.566 -9.010 646 2HB GLU 91 2HB GLU 91 4.137 10.040 -7.806 647 1HG GLU 91 1HG GLU 91 5.913 9.795 -6.405 648 2HG GLU 91 2HG GLU 91 6.293 8.345 -7.313 649 HA PRO 92 HA PRO 92 2.332 8.853 -8.534 650 1HB PRO 92 1HB PRO 92 -0.218 8.190 -9.257 651 2HB PRO 92 2HB PRO 92 0.307 9.842 -9.005 652 1HG PRO 92 1HG PRO 92 -0.219 8.433 -11.550 653 2HG PRO 92 2HG PRO 92 -0.112 10.157 -11.251 654 1HD PRO 92 1HD PRO 92 1.887 8.500 -12.470 655 2HD PRO 92 2HD PRO 92 2.037 10.198 -12.065 656 H ILE 93 H ILE 93 2.101 7.147 -7.123 657 HA ILE 93 HA ILE 93 2.566 4.601 -8.467 658 HB ILE 93 HB ILE 93 2.824 5.363 -5.556 659 1HG1 ILE 93 1HG1 ILE 93 5.142 4.896 -7.413 660 2HG1 ILE 93 2HG1 ILE 93 4.368 6.468 -7.368 661 1HG2 ILE 93 1HG2 ILE 93 4.338 3.229 -5.691 662 2HG2 ILE 93 2HG2 ILE 93 2.576 3.077 -5.487 663 3HG2 ILE 93 3HG2 ILE 93 3.310 2.834 -7.090 664 1HD1 ILE 93 1HD1 ILE 93 4.921 5.315 -4.683 665 2HD1 ILE 93 2HD1 ILE 93 6.369 5.674 -5.653 666 3HD1 ILE 93 3HD1 ILE 93 5.197 6.964 -5.292 667 H VAL 94 H VAL 94 0.796 3.435 -8.975 668 HA VAL 94 HA VAL 94 -1.645 3.881 -7.505 669 HB VAL 94 HB VAL 94 -1.211 3.496 -10.072 670 1HG1 VAL 94 1HG1 VAL 94 -0.145 1.244 -9.634 671 2HG1 VAL 94 2HG1 VAL 94 -1.762 0.650 -9.186 672 3HG1 VAL 94 3HG1 VAL 94 -1.459 1.247 -10.835 673 1HG2 VAL 94 1HG2 VAL 94 -3.391 4.002 -9.475 674 2HG2 VAL 94 2HG2 VAL 94 -3.573 2.353 -10.120 675 3HG2 VAL 94 3HG2 VAL 94 -3.523 2.620 -8.361 676 H VAL 95 H VAL 95 -1.991 2.880 -5.594 677 HA VAL 95 HA VAL 95 -0.924 0.153 -5.333 678 HB VAL 95 HB VAL 95 -1.482 1.705 -2.890 679 1HG1 VAL 95 1HG1 VAL 95 1.055 0.724 -2.684 680 2HG1 VAL 95 2HG1 VAL 95 -0.416 -0.186 -2.265 681 3HG1 VAL 95 3HG1 VAL 95 0.345 -0.409 -3.858 682 1HG2 VAL 95 1HG2 VAL 95 0.718 2.516 -4.810 683 2HG2 VAL 95 2HG2 VAL 95 -0.548 3.539 -4.088 684 3HG2 VAL 95 3HG2 VAL 95 0.756 2.885 -3.069 685 H GLN 96 H GLN 96 -2.269 -1.382 -4.201 686 HA GLN 96 HA GLN 96 -5.003 -0.463 -3.835 687 1HB GLN 96 1HB GLN 96 -5.084 -1.506 -5.994 688 2HB GLN 96 2HB GLN 96 -4.066 -2.838 -5.483 689 1HG GLN 96 1HG GLN 96 -5.864 -4.020 -4.764 690 2HG GLN 96 2HG GLN 96 -6.382 -2.699 -3.734 691 1HE2 GLN 96 1HE2 GLN 96 -6.477 -4.025 -6.990 692 2HE2 GLN 96 2HE2 GLN 96 -7.938 -3.259 -7.518 693 H VAL 97 H VAL 97 -6.059 -1.355 -2.040 694 HA VAL 97 HA VAL 97 -4.580 -3.456 -0.620 695 HB VAL 97 HB VAL 97 -5.241 -2.304 1.485 696 1HG1 VAL 97 1HG1 VAL 97 -3.275 -1.253 -0.490 697 2HG1 VAL 97 2HG1 VAL 97 -3.593 -0.249 0.946 698 3HG1 VAL 97 3HG1 VAL 97 -3.022 -1.925 1.139 699 1HG2 VAL 97 1HG2 VAL 97 -6.850 -0.756 -0.185 700 2HG2 VAL 97 2HG2 VAL 97 -6.515 -0.465 1.539 701 3HG2 VAL 97 3HG2 VAL 97 -5.533 0.342 0.293 702 H LEU 98 H LEU 98 -6.052 -4.562 1.057 703 HA LEU 98 HA LEU 98 -8.683 -4.876 -0.197 704 1HB LEU 98 1HB LEU 98 -6.681 -6.715 0.834 705 2HB LEU 98 2HB LEU 98 -8.254 -6.997 1.554 706 HG LEU 98 HG LEU 98 -9.240 -7.583 -0.467 707 1HD1 LEU 98 1HD1 LEU 98 -8.957 -6.086 -2.110 708 2HD1 LEU 98 2HD1 LEU 98 -7.281 -5.721 -1.633 709 3HD1 LEU 98 3HD1 LEU 98 -7.631 -7.154 -2.629 710 1HD2 LEU 98 1HD2 LEU 98 -6.477 -8.607 -0.128 711 2HD2 LEU 98 2HD2 LEU 98 -8.033 -9.470 -0.166 712 3HD2 LEU 98 3HD2 LEU 98 -7.268 -8.948 -1.686 713 H ARG 99 H ARG 99 -10.051 -3.445 0.790 714 HA ARG 99 HA ARG 99 -9.832 -3.241 3.667 715 1HB ARG 99 1HB ARG 99 -11.584 -1.608 1.764 716 2HB ARG 99 2HB ARG 99 -11.248 -1.233 3.443 717 1HG ARG 99 1HG ARG 99 -8.972 -1.515 1.450 718 2HG ARG 99 2HG ARG 99 -9.869 -0.014 1.562 719 1HD ARG 99 1HD ARG 99 -9.028 -1.100 4.200 720 2HD ARG 99 2HD ARG 99 -7.689 -0.689 3.148 721 HE ARG 99 HE ARG 99 -9.286 1.185 4.545 722 1HH1 ARG 99 1HH1 ARG 99 -8.105 0.694 1.267 723 2HH1 ARG 99 2HH1 ARG 99 -8.091 2.383 0.883 724 1HH2 ARG 99 1HH2 ARG 99 -9.268 3.413 4.039 725 2HH2 ARG 99 2HH2 ARG 99 -8.757 3.940 2.470 726 H ARG 100 H ARG 100 -11.540 -3.867 5.064 727 HA ARG 100 HA ARG 100 -13.278 -5.792 4.028 728 1HB ARG 100 1HB ARG 100 -13.205 -4.367 6.735 729 2HB ARG 100 2HB ARG 100 -14.257 -5.726 6.392 730 1HG ARG 100 1HG ARG 100 -12.565 -7.224 6.658 731 2HG ARG 100 2HG ARG 100 -11.508 -6.331 5.583 732 1HD ARG 100 1HD ARG 100 -12.016 -5.292 8.390 733 2HD ARG 100 2HD ARG 100 -10.862 -6.586 8.140 734 HE ARG 100 HE ARG 100 -10.098 -4.733 6.244 735 1HH1 ARG 100 1HH1 ARG 100 -10.696 -4.530 9.706 736 2HH1 ARG 100 2HH1 ARG 100 -9.563 -3.244 9.956 737 1HH2 ARG 100 1HH2 ARG 100 -8.603 -3.036 6.573 738 2HH2 ARG 100 2HH2 ARG 100 -8.365 -2.388 8.161 739 H THR 101 H THR 101 -13.852 -2.520 5.530 740 HA THR 101 HA THR 101 -15.883 -1.880 3.656 741 HB THR 101 HB THR 101 -17.092 -3.574 5.094 742 HG1 THR 101 HG1 THR 101 -17.830 -0.779 5.586 743 1HG2 THR 101 1HG2 THR 101 -17.696 -2.929 7.397 744 2HG2 THR 101 2HG2 THR 101 -15.922 -3.024 7.279 745 3HG2 THR 101 3HG2 THR 101 -16.732 -1.439 7.262 746 H SER 102 H SER 102 -16.847 0.276 4.098 747 HA SER 102 HA SER 102 -16.650 2.373 4.618 748 1HB SER 102 1HB SER 102 -15.678 1.070 7.133 749 2HB SER 102 2HB SER 102 -15.310 2.774 6.958 750 HG SER 102 HG SER 102 -17.351 2.495 8.005 751 H GLY 103 H GLY 103 -15.045 4.238 4.766 752 1HA GLY 103 1HA GLY 103 -12.364 4.165 4.933 753 2HA GLY 103 2HA GLY 103 -12.636 3.525 3.324 754 HA PRO 104 HA PRO 104 -14.312 7.967 3.358 755 1HB PRO 104 1HB PRO 104 -13.982 9.521 5.582 756 2HB PRO 104 2HB PRO 104 -15.459 8.642 5.237 757 1HG PRO 104 1HG PRO 104 -13.348 8.019 7.211 758 2HG PRO 104 2HG PRO 104 -14.994 7.423 7.139 759 1HD PRO 104 1HD PRO 104 -12.620 6.005 6.375 760 2HD PRO 104 2HD PRO 104 -14.274 5.454 6.196 761 H SER 105 H SER 105 -11.585 8.098 5.611 762 HA SER 105 HA SER 105 -9.560 8.840 5.353 763 1HB SER 105 1HB SER 105 -10.078 8.965 2.349 764 2HB SER 105 2HB SER 105 -8.508 8.983 3.127 765 HG SER 105 HG SER 105 -10.425 6.811 3.251 766 H SER 106 H SER 106 -9.874 10.829 6.433 767 HA SER 106 HA SER 106 -10.708 13.045 4.750 768 1HB SER 106 1HB SER 106 -10.467 12.872 7.787 769 2HB SER 106 2HB SER 106 -11.076 14.254 6.898 770 HG SER 106 HG SER 106 -12.671 12.578 5.957 771 H GLY 107 H GLY 107 -9.528 15.202 5.208 772 1HA GLY 107 1HA GLY 107 -7.385 15.954 6.348 773 2HA GLY 107 2HA GLY 107 -6.640 14.642 5.457 Start of MODEL 17 1 1H GLY 1 1H GLY 1 -23.281 -18.053 8.385 2 1HA GLY 1 1HA GLY 1 -24.155 -20.380 6.778 3 2HA GLY 1 2HA GLY 1 -25.118 -18.939 7.035 4 H SER 2 H SER 2 -24.653 -16.994 5.893 5 HA SER 2 HA SER 2 -22.991 -17.466 3.584 6 1HB SER 2 1HB SER 2 -25.151 -15.482 4.311 7 2HB SER 2 2HB SER 2 -24.035 -15.080 3.021 8 HG SER 2 HG SER 2 -24.755 -17.577 2.490 9 H SER 3 H SER 3 -20.898 -17.317 4.687 10 HA SER 3 HA SER 3 -19.983 -14.638 4.768 11 1HB SER 3 1HB SER 3 -20.450 -16.162 7.312 12 2HB SER 3 2HB SER 3 -18.959 -15.247 7.203 13 HG SER 3 HG SER 3 -21.660 -14.322 7.221 14 H GLY 4 H GLY 4 -17.505 -14.649 5.330 15 1HA GLY 4 1HA GLY 4 -15.862 -16.749 5.583 16 2HA GLY 4 2HA GLY 4 -16.330 -16.883 3.899 17 H SER 5 H SER 5 -13.764 -16.499 3.997 18 HA SER 5 HA SER 5 -12.892 -13.900 4.472 19 1HB SER 5 1HB SER 5 -11.806 -16.367 3.182 20 2HB SER 5 2HB SER 5 -11.044 -14.865 2.697 21 HG SER 5 HG SER 5 -11.260 -14.677 5.344 22 H SER 6 H SER 6 -13.860 -12.193 3.388 23 HA SER 6 HA SER 6 -13.415 -12.067 0.585 24 1HB SER 6 1HB SER 6 -16.071 -12.782 1.634 25 2HB SER 6 2HB SER 6 -16.123 -11.328 0.657 26 HG SER 6 HG SER 6 -15.723 -12.468 -1.125 27 H GLY 7 H GLY 7 -13.879 -9.832 -0.255 28 1HA GLY 7 1HA GLY 7 -14.777 -7.771 1.469 29 2HA GLY 7 2HA GLY 7 -13.026 -7.837 1.478 30 H LYS 8 H LYS 8 -12.994 -5.715 0.429 31 HA LYS 8 HA LYS 8 -13.433 -5.977 -2.456 32 1HB LYS 8 1HB LYS 8 -14.584 -3.965 -0.586 33 2HB LYS 8 2HB LYS 8 -13.978 -3.360 -2.115 34 1HG LYS 8 1HG LYS 8 -15.884 -4.075 -3.109 35 2HG LYS 8 2HG LYS 8 -15.404 -5.727 -2.776 36 1HD LYS 8 1HD LYS 8 -16.570 -5.728 -0.640 37 2HD LYS 8 2HD LYS 8 -16.838 -3.998 -0.714 38 1HE LYS 8 1HE LYS 8 -18.751 -4.285 -1.902 39 2HE LYS 8 2HE LYS 8 -17.906 -5.210 -3.128 40 1HZ LYS 8 1HZ LYS 8 -18.042 -6.986 -1.190 41 2HZ LYS 8 2HZ LYS 8 -19.402 -6.144 -0.860 42 3HZ LYS 8 3HZ LYS 8 -19.201 -6.827 -2.330 43 H SER 9 H SER 9 -12.034 -4.547 -3.751 44 HA SER 9 HA SER 9 -9.617 -3.926 -2.241 45 1HB SER 9 1HB SER 9 -8.307 -4.684 -4.014 46 2HB SER 9 2HB SER 9 -9.668 -5.783 -4.113 47 HG SER 9 HG SER 9 -10.220 -4.966 -6.021 48 H LEU 10 H LEU 10 -9.139 -1.764 -2.102 49 HA LEU 10 HA LEU 10 -10.413 -0.008 -4.076 50 1HB LEU 10 1HB LEU 10 -9.286 0.913 -1.458 51 2HB LEU 10 2HB LEU 10 -10.512 1.658 -2.464 52 HG LEU 10 HG LEU 10 -11.725 0.869 -0.656 53 1HD1 LEU 10 1HD1 LEU 10 -13.300 -0.369 -1.671 54 2HD1 LEU 10 2HD1 LEU 10 -12.258 -0.193 -3.103 55 3HD1 LEU 10 3HD1 LEU 10 -12.158 -1.664 -2.106 56 1HD2 LEU 10 1HD2 LEU 10 -11.313 -0.998 0.644 57 2HD2 LEU 10 2HD2 LEU 10 -10.511 -1.878 -0.678 58 3HD2 LEU 10 3HD2 LEU 10 -9.675 -0.529 0.129 59 H THR 11 H THR 11 -9.133 1.897 -4.798 60 HA THR 11 HA THR 11 -6.297 1.142 -5.014 61 HB THR 11 HB THR 11 -7.735 3.076 -6.856 62 HG1 THR 11 HG1 THR 11 -8.312 1.007 -8.017 63 1HG2 THR 11 1HG2 THR 11 -6.313 1.804 -8.544 64 2HG2 THR 11 2HG2 THR 11 -5.355 2.678 -7.325 65 3HG2 THR 11 3HG2 THR 11 -5.585 0.919 -7.183 66 H LEU 12 H LEU 12 -4.665 2.579 -4.536 67 HA LEU 12 HA LEU 12 -5.490 5.233 -3.654 68 1HB LEU 12 1HB LEU 12 -3.542 4.274 -1.818 69 2HB LEU 12 2HB LEU 12 -5.159 4.876 -1.511 70 HG LEU 12 HG LEU 12 -5.729 2.338 -2.325 71 1HD1 LEU 12 1HD1 LEU 12 -2.902 2.363 -1.533 72 2HD1 LEU 12 2HD1 LEU 12 -3.891 1.168 -0.660 73 3HD1 LEU 12 3HD1 LEU 12 -3.837 1.150 -2.439 74 1HD2 LEU 12 1HD2 LEU 12 -6.688 2.274 -0.319 75 2HD2 LEU 12 2HD2 LEU 12 -5.121 2.374 0.520 76 3HD2 LEU 12 3HD2 LEU 12 -5.945 3.862 -0.008 77 H VAL 13 H VAL 13 -4.041 6.816 -4.228 78 HA VAL 13 HA VAL 13 -1.680 5.852 -5.660 79 HB VAL 13 HB VAL 13 -3.625 7.492 -6.490 80 1HG1 VAL 13 1HG1 VAL 13 -1.509 9.410 -5.462 81 2HG1 VAL 13 2HG1 VAL 13 -2.999 9.815 -6.347 82 3HG1 VAL 13 3HG1 VAL 13 -3.096 9.157 -4.696 83 1HG2 VAL 13 1HG2 VAL 13 -2.235 8.057 -8.299 84 2HG2 VAL 13 2HG2 VAL 13 -0.771 8.082 -7.288 85 3HG2 VAL 13 3HG2 VAL 13 -1.553 6.533 -7.683 86 H LEU 14 H LEU 14 0.228 5.885 -4.602 87 HA LEU 14 HA LEU 14 0.484 7.825 -2.413 88 1HB LEU 14 1HB LEU 14 2.010 5.251 -2.810 89 2HB LEU 14 2HB LEU 14 2.073 6.317 -1.420 90 HG LEU 14 HG LEU 14 -0.225 4.557 -2.296 91 1HD1 LEU 14 1HD1 LEU 14 1.104 3.169 -1.073 92 2HD1 LEU 14 2HD1 LEU 14 1.805 4.492 -0.111 93 3HD1 LEU 14 3HD1 LEU 14 0.164 3.902 0.249 94 1HD2 LEU 14 1HD2 LEU 14 -0.959 5.653 0.137 95 2HD2 LEU 14 2HD2 LEU 14 -0.298 7.040 -0.762 96 3HD2 LEU 14 3HD2 LEU 14 -1.623 6.077 -1.459 97 H HIS 15 H HIS 15 2.597 8.877 -2.147 98 HA HIS 15 HA HIS 15 4.079 8.960 -4.671 99 1HB HIS 15 1HB HIS 15 3.336 11.319 -2.918 100 2HB HIS 15 2HB HIS 15 4.393 11.389 -4.313 101 HD1 HIS 15 HD1 HIS 15 3.281 11.973 -6.477 102 HD2 HIS 15 HD2 HIS 15 0.587 10.350 -3.701 103 HE1 HIS 15 HE1 HIS 15 0.973 12.111 -7.556 104 H ARG 16 H ARG 16 6.348 9.967 -4.312 105 HA ARG 16 HA ARG 16 7.296 8.977 -1.743 106 1HB ARG 16 1HB ARG 16 8.562 8.935 -4.514 107 2HB ARG 16 2HB ARG 16 9.543 8.742 -3.075 108 1HG ARG 16 1HG ARG 16 7.651 6.916 -2.469 109 2HG ARG 16 2HG ARG 16 7.447 6.895 -4.209 110 1HD ARG 16 1HD ARG 16 10.259 6.733 -3.120 111 2HD ARG 16 2HD ARG 16 9.245 5.311 -2.984 112 HE ARG 16 HE ARG 16 9.226 5.091 -5.349 113 1HH1 ARG 16 1HH1 ARG 16 10.821 8.072 -4.375 114 2HH1 ARG 16 2HH1 ARG 16 11.500 8.371 -5.940 115 1HH2 ARG 16 1HH2 ARG 16 10.122 5.484 -7.414 116 2HH2 ARG 16 2HH2 ARG 16 11.099 6.888 -7.680 117 H ASP 17 H ASP 17 7.201 11.003 -0.631 118 HA ASP 17 HA ASP 17 8.038 13.385 -1.774 119 1HB ASP 17 1HB ASP 17 6.704 13.632 0.145 120 2HB ASP 17 2HB ASP 17 7.547 12.371 1.022 121 H SER 18 H SER 18 9.749 10.610 -0.557 122 HA SER 18 HA SER 18 12.198 11.423 -1.327 123 1HB SER 18 1HB SER 18 11.522 12.873 0.992 124 2HB SER 18 2HB SER 18 12.574 11.601 1.580 125 HG SER 18 HG SER 18 14.076 12.253 -0.220 126 H GLY 19 H GLY 19 11.006 9.072 -1.630 127 1HA GLY 19 1HA GLY 19 11.124 6.855 -1.278 128 2HA GLY 19 2HA GLY 19 12.713 7.161 -0.606 129 H SER 20 H SER 20 9.515 8.310 0.634 130 HA SER 20 HA SER 20 10.033 6.668 2.989 131 1HB SER 20 1HB SER 20 9.017 9.521 2.771 132 2HB SER 20 2HB SER 20 8.691 8.556 4.197 133 HG SER 20 HG SER 20 11.341 8.315 3.582 134 H LEU 21 H LEU 21 7.673 8.130 0.719 135 HA LEU 21 HA LEU 21 5.663 7.465 0.080 136 1HB LEU 21 1HB LEU 21 6.273 5.025 1.749 137 2HB LEU 21 2HB LEU 21 4.817 5.210 0.791 138 HG LEU 21 HG LEU 21 6.498 3.842 -0.344 139 1HD1 LEU 21 1HD1 LEU 21 5.883 6.503 -1.648 140 2HD1 LEU 21 2HD1 LEU 21 6.567 5.104 -2.511 141 3HD1 LEU 21 3HD1 LEU 21 4.957 4.986 -1.761 142 1HD2 LEU 21 1HD2 LEU 21 8.618 4.653 -1.054 143 2HD2 LEU 21 2HD2 LEU 21 8.244 6.306 -0.510 144 3HD2 LEU 21 3HD2 LEU 21 8.476 5.007 0.684 145 H GLY 22 H GLY 22 6.281 6.907 3.599 146 1HA GLY 22 1HA GLY 22 5.289 8.310 5.218 147 2HA GLY 22 2HA GLY 22 3.919 8.574 4.158 148 H PHE 23 H PHE 23 5.584 5.482 5.064 149 HA PHE 23 HA PHE 23 3.694 4.676 6.940 150 1HB PHE 23 1HB PHE 23 2.253 3.268 5.605 151 2HB PHE 23 2HB PHE 23 2.371 4.746 4.670 152 HD1 PHE 23 HD1 PHE 23 5.064 4.408 3.450 153 HD2 PHE 23 HD2 PHE 23 1.906 1.625 3.988 154 HE1 PHE 23 HE1 PHE 23 5.885 3.095 1.476 155 HE2 PHE 23 HE2 PHE 23 2.728 0.311 2.014 156 HZ PHE 23 HZ PHE 23 4.707 1.062 0.781 157 H ASN 24 H ASN 24 3.749 2.056 7.051 158 HA ASN 24 HA ASN 24 6.435 1.248 6.285 159 1HB ASN 24 1HB ASN 24 5.119 1.100 9.028 160 2HB ASN 24 2HB ASN 24 6.362 -0.056 8.591 161 1HD2 ASN 24 1HD2 ASN 24 7.129 1.224 10.604 162 2HD2 ASN 24 2HD2 ASN 24 8.211 2.542 10.298 163 H ILE 25 H ILE 25 6.635 -1.184 6.157 164 HA ILE 25 HA ILE 25 4.013 -2.494 5.981 165 HB ILE 25 HB ILE 25 5.321 -3.844 4.126 166 1HG1 ILE 25 1HG1 ILE 25 6.548 -1.096 3.794 167 2HG1 ILE 25 2HG1 ILE 25 7.402 -2.441 4.526 168 1HG2 ILE 25 1HG2 ILE 25 3.352 -3.012 3.372 169 2HG2 ILE 25 2HG2 ILE 25 3.651 -1.386 4.032 170 3HG2 ILE 25 3HG2 ILE 25 4.441 -1.892 2.519 171 1HD1 ILE 25 1HD1 ILE 25 7.665 -2.021 1.947 172 2HD1 ILE 25 2HD1 ILE 25 7.443 -3.691 2.522 173 3HD1 ILE 25 3HD1 ILE 25 6.069 -2.799 1.827 174 H ILE 26 H ILE 26 4.042 -4.822 6.404 175 HA ILE 26 HA ILE 26 6.461 -5.697 7.804 176 HB ILE 26 HB ILE 26 5.335 -6.358 9.705 177 1HG1 ILE 26 1HG1 ILE 26 2.675 -5.940 8.311 178 2HG1 ILE 26 2HG1 ILE 26 3.464 -7.491 8.516 179 1HG2 ILE 26 1HG2 ILE 26 4.297 -4.396 10.585 180 2HG2 ILE 26 2HG2 ILE 26 5.570 -3.876 9.455 181 3HG2 ILE 26 3HG2 ILE 26 3.862 -3.822 8.958 182 1HD1 ILE 26 1HD1 ILE 26 1.805 -7.168 10.298 183 2HD1 ILE 26 2HD1 ILE 26 3.438 -7.160 11.005 184 3HD1 ILE 26 3HD1 ILE 26 2.566 -5.628 10.762 185 H GLY 27 H GLY 27 6.403 -8.152 8.157 186 1HA GLY 27 1HA GLY 27 5.801 -10.266 7.468 187 2HA GLY 27 2HA GLY 27 4.710 -9.591 6.275 188 H GLY 28 H GLY 28 7.932 -10.786 6.912 189 1HA GLY 28 1HA GLY 28 8.534 -11.145 4.194 190 2HA GLY 28 2HA GLY 28 9.338 -9.689 4.746 191 H ARG 29 H ARG 29 10.065 -12.744 4.111 192 HA ARG 29 HA ARG 29 11.817 -12.932 6.425 193 1HB ARG 29 1HB ARG 29 10.290 -15.155 4.997 194 2HB ARG 29 2HB ARG 29 11.681 -15.500 6.006 195 1HG ARG 29 1HG ARG 29 10.088 -13.759 7.571 196 2HG ARG 29 2HG ARG 29 8.935 -14.829 6.799 197 1HD ARG 29 1HD ARG 29 11.269 -16.329 7.763 198 2HD ARG 29 2HD ARG 29 10.535 -15.412 9.063 199 HE ARG 29 HE ARG 29 8.641 -16.791 8.949 200 1HH1 ARG 29 1HH1 ARG 29 10.577 -17.226 6.043 201 2HH1 ARG 29 2HH1 ARG 29 9.648 -18.571 5.471 202 1HH2 ARG 29 1HH2 ARG 29 7.414 -18.565 8.194 203 2HH2 ARG 29 2HH2 ARG 29 7.836 -19.337 6.703 204 HA PRO 30 HA PRO 30 14.961 -13.391 3.438 205 1HB PRO 30 1HB PRO 30 16.862 -14.829 4.774 206 2HB PRO 30 2HB PRO 30 16.626 -13.107 5.003 207 1HG PRO 30 1HG PRO 30 15.852 -15.336 6.784 208 2HG PRO 30 2HG PRO 30 16.016 -13.633 7.164 209 1HD PRO 30 1HD PRO 30 13.569 -15.075 6.760 210 2HD PRO 30 2HD PRO 30 13.738 -13.351 7.026 211 H SER 31 H SER 31 14.954 -14.423 1.552 212 HA SER 31 HA SER 31 14.613 -17.307 1.823 213 1HB SER 31 1HB SER 31 13.487 -17.261 -0.376 214 2HB SER 31 2HB SER 31 12.664 -16.224 0.772 215 HG SER 31 HG SER 31 13.301 -14.422 -0.302 216 H VAL 32 H VAL 32 15.567 -18.556 -0.141 217 HA VAL 32 HA VAL 32 17.799 -17.171 -1.380 218 HB VAL 32 HB VAL 32 18.059 -19.551 0.461 219 1HG1 VAL 32 1HG1 VAL 32 20.610 -18.995 -0.403 220 2HG1 VAL 32 2HG1 VAL 32 19.589 -20.327 -0.996 221 3HG1 VAL 32 3HG1 VAL 32 19.656 -18.790 -1.892 222 1HG2 VAL 32 1HG2 VAL 32 18.278 -17.667 1.795 223 2HG2 VAL 32 2HG2 VAL 32 19.966 -17.974 1.320 224 3HG2 VAL 32 3HG2 VAL 32 19.027 -16.703 0.499 225 H ASP 33 H ASP 33 16.300 -20.445 -0.855 226 HA ASP 33 HA ASP 33 16.989 -21.443 -3.303 227 1HB ASP 33 1HB ASP 33 14.810 -22.000 -1.297 228 2HB ASP 33 2HB ASP 33 14.660 -22.755 -2.871 229 H ASN 34 H ASN 34 16.183 -21.073 -5.393 230 HA ASN 34 HA ASN 34 14.250 -19.033 -5.698 231 1HB ASN 34 1HB ASN 34 15.757 -20.854 -7.629 232 2HB ASN 34 2HB ASN 34 14.538 -19.737 -8.210 233 1HD2 ASN 34 1HD2 ASN 34 17.550 -19.958 -8.422 234 2HD2 ASN 34 2HD2 ASN 34 18.158 -18.385 -8.027 235 H HIS 35 H HIS 35 12.171 -19.759 -5.006 236 HA HIS 35 HA HIS 35 10.725 -21.361 -6.765 237 1HB HIS 35 1HB HIS 35 12.260 -22.956 -5.162 238 2HB HIS 35 2HB HIS 35 10.794 -22.846 -4.209 239 HD1 HIS 35 HD1 HIS 35 8.574 -23.002 -6.255 240 HD2 HIS 35 HD2 HIS 35 12.070 -25.304 -6.532 241 HE1 HIS 35 HE1 HIS 35 7.993 -25.012 -7.716 242 H ASP 36 H ASP 36 8.751 -20.422 -6.672 243 HA ASP 36 HA ASP 36 8.129 -18.806 -4.431 244 1HB ASP 36 1HB ASP 36 6.928 -19.436 -7.106 245 2HB ASP 36 2HB ASP 36 5.807 -18.881 -5.878 246 H GLY 37 H GLY 37 6.599 -21.675 -6.092 247 1HA GLY 37 1HA GLY 37 5.156 -23.240 -5.363 248 2HA GLY 37 2HA GLY 37 6.090 -23.213 -3.881 249 H SER 38 H SER 38 4.823 -22.975 -2.098 250 HA SER 38 HA SER 38 2.231 -21.871 -2.373 251 1HB SER 38 1HB SER 38 1.916 -22.513 -0.081 252 2HB SER 38 2HB SER 38 2.890 -23.771 -0.816 253 HG SER 38 HG SER 38 3.478 -22.447 1.384 254 H SER 39 H SER 39 1.404 -19.954 -1.246 255 HA SER 39 HA SER 39 3.087 -17.779 -1.479 256 1HB SER 39 1HB SER 39 0.377 -18.248 -0.226 257 2HB SER 39 2HB SER 39 1.168 -16.704 0.020 258 HG SER 39 HG SER 39 1.440 -17.130 -2.575 259 H SER 40 H SER 40 4.645 -16.960 -0.122 260 HA SER 40 HA SER 40 4.481 -17.818 2.662 261 1HB SER 40 1HB SER 40 6.932 -17.447 0.891 262 2HB SER 40 2HB SER 40 7.034 -17.610 2.633 263 HG SER 40 HG SER 40 6.234 -19.716 2.523 264 H GLU 41 H GLU 41 4.628 -16.189 4.217 265 HA GLU 41 HA GLU 41 4.653 -14.193 5.070 266 1HB GLU 41 1HB GLU 41 6.685 -13.664 2.862 267 2HB GLU 41 2HB GLU 41 6.324 -12.499 4.121 268 1HG GLU 41 1HG GLU 41 8.149 -13.632 5.059 269 2HG GLU 41 2HG GLU 41 6.806 -14.498 5.778 270 H GLY 42 H GLY 42 4.034 -11.803 4.707 271 1HA GLY 42 1HA GLY 42 2.618 -11.372 2.173 272 2HA GLY 42 2HA GLY 42 1.693 -11.349 3.662 273 H ILE 43 H ILE 43 1.548 -9.036 2.344 274 HA ILE 43 HA ILE 43 3.481 -7.308 3.726 275 HB ILE 43 HB ILE 43 2.207 -6.848 1.027 276 1HG1 ILE 43 1HG1 ILE 43 3.809 -8.605 0.785 277 2HG1 ILE 43 2HG1 ILE 43 4.525 -7.133 0.159 278 1HG2 ILE 43 1HG2 ILE 43 3.961 -5.186 2.804 279 2HG2 ILE 43 2HG2 ILE 43 4.087 -5.034 1.035 280 3HG2 ILE 43 3HG2 ILE 43 2.535 -4.719 1.847 281 1HD1 ILE 43 1HD1 ILE 43 5.273 -7.046 2.839 282 2HD1 ILE 43 2HD1 ILE 43 5.344 -8.785 2.466 283 3HD1 ILE 43 3HD1 ILE 43 6.295 -7.629 1.504 284 H PHE 44 H PHE 44 2.580 -6.026 5.242 285 HA PHE 44 HA PHE 44 -0.188 -5.196 4.814 286 1HB PHE 44 1HB PHE 44 1.125 -6.527 7.250 287 2HB PHE 44 2HB PHE 44 -0.375 -5.635 7.399 288 HD1 PHE 44 HD1 PHE 44 -2.450 -6.548 6.588 289 HD2 PHE 44 HD2 PHE 44 1.192 -8.645 5.999 290 HE1 PHE 44 HE1 PHE 44 -3.738 -8.608 5.958 291 HE2 PHE 44 HE2 PHE 44 -0.096 -10.705 5.369 292 HZ PHE 44 HZ PHE 44 -2.546 -10.662 5.356 293 H VAL 45 H VAL 45 -0.780 -3.232 5.987 294 HA VAL 45 HA VAL 45 1.567 -1.570 6.438 295 HB VAL 45 HB VAL 45 -1.373 -0.949 6.098 296 1HG1 VAL 45 1HG1 VAL 45 -0.782 0.895 7.303 297 2HG1 VAL 45 2HG1 VAL 45 0.945 0.748 6.898 298 3HG1 VAL 45 3HG1 VAL 45 -0.193 1.431 5.712 299 1HG2 VAL 45 1HG2 VAL 45 0.220 -1.760 4.139 300 2HG2 VAL 45 2HG2 VAL 45 -0.954 -0.444 3.896 301 3HG2 VAL 45 3HG2 VAL 45 0.760 -0.064 4.190 302 H SER 46 H SER 46 2.361 -1.450 8.469 303 HA SER 46 HA SER 46 0.495 -1.949 10.629 304 1HB SER 46 1HB SER 46 2.687 -3.228 10.442 305 2HB SER 46 2HB SER 46 3.534 -1.724 10.744 306 HG SER 46 HG SER 46 2.262 -3.418 12.532 307 H LYS 47 H LYS 47 2.859 0.446 9.347 308 HA LYS 47 HA LYS 47 1.746 2.384 11.256 309 1HB LYS 47 1HB LYS 47 4.220 1.604 11.516 310 2HB LYS 47 2HB LYS 47 4.522 2.605 10.110 311 1HG LYS 47 1HG LYS 47 2.840 3.973 12.116 312 2HG LYS 47 2HG LYS 47 4.393 3.490 12.769 313 1HD LYS 47 1HD LYS 47 5.376 4.526 10.545 314 2HD LYS 47 2HD LYS 47 3.825 5.332 10.425 315 1HE LYS 47 1HE LYS 47 4.348 6.812 12.080 316 2HE LYS 47 2HE LYS 47 4.922 5.544 13.145 317 1HZ LYS 47 1HZ LYS 47 6.402 7.086 11.189 318 2HZ LYS 47 2HZ LYS 47 6.835 6.632 12.697 319 3HZ LYS 47 3HZ LYS 47 6.893 5.555 11.471 320 H ILE 48 H ILE 48 1.574 4.612 10.440 321 HA ILE 48 HA ILE 48 1.836 4.951 7.590 322 HB ILE 48 HB ILE 48 -0.806 4.651 8.954 323 1HG1 ILE 48 1HG1 ILE 48 0.462 3.711 6.384 324 2HG1 ILE 48 2HG1 ILE 48 -0.168 2.755 7.711 325 1HG2 ILE 48 1HG2 ILE 48 -0.300 6.420 6.546 326 2HG2 ILE 48 2HG2 ILE 48 -1.897 5.902 7.136 327 3HG2 ILE 48 3HG2 ILE 48 -0.867 6.941 8.150 328 1HD1 ILE 48 1HD1 ILE 48 -2.482 3.643 7.192 329 2HD1 ILE 48 2HD1 ILE 48 -1.793 4.448 5.761 330 3HD1 ILE 48 3HD1 ILE 48 -1.772 2.672 5.880 331 H VAL 49 H VAL 49 3.027 6.785 7.585 332 HA VAL 49 HA VAL 49 2.980 8.627 9.702 333 HB VAL 49 HB VAL 49 3.948 8.968 6.857 334 1HG1 VAL 49 1HG1 VAL 49 3.956 10.717 9.168 335 2HG1 VAL 49 2HG1 VAL 49 5.618 10.336 8.659 336 3HG1 VAL 49 3HG1 VAL 49 4.471 11.043 7.496 337 1HG2 VAL 49 1HG2 VAL 49 5.686 7.623 7.281 338 2HG2 VAL 49 2HG2 VAL 49 5.977 8.373 8.869 339 3HG2 VAL 49 3HG2 VAL 49 4.784 7.062 8.709 340 H ASP 50 H ASP 50 1.665 10.334 10.141 341 HA ASP 50 HA ASP 50 -0.693 10.624 8.741 342 1HB ASP 50 1HB ASP 50 0.382 11.557 11.132 343 2HB ASP 50 2HB ASP 50 0.270 13.034 10.195 344 H SER 51 H SER 51 1.926 13.133 9.170 345 HA SER 51 HA SER 51 1.089 14.760 7.151 346 1HB SER 51 1HB SER 51 3.401 14.502 8.880 347 2HB SER 51 2HB SER 51 3.947 14.921 7.268 348 HG SER 51 HG SER 51 1.931 16.539 7.562 349 H GLY 52 H GLY 52 2.596 11.633 6.982 350 1HA GLY 52 1HA GLY 52 4.104 11.753 4.662 351 2HA GLY 52 2HA GLY 52 3.243 10.348 5.257 352 HA PRO 53 HA PRO 53 1.190 12.207 1.479 353 1HB PRO 53 1HB PRO 53 2.529 11.087 -0.624 354 2HB PRO 53 2HB PRO 53 2.832 12.716 -0.052 355 1HG PRO 53 1HG PRO 53 4.469 10.283 0.327 356 2HG PRO 53 2HG PRO 53 4.939 11.962 0.508 357 1HD PRO 53 1HD PRO 53 4.367 10.103 2.617 358 2HD PRO 53 2HD PRO 53 4.724 11.810 2.792 359 H ALA 54 H ALA 54 1.860 9.322 2.874 360 HA ALA 54 HA ALA 54 0.193 7.800 1.047 361 1HB ALA 54 1HB ALA 54 2.140 6.659 1.837 362 2HB ALA 54 2HB ALA 54 1.826 7.140 3.522 363 3HB ALA 54 3HB ALA 54 0.765 5.955 2.722 364 H ALA 55 H ALA 55 0.146 9.352 4.268 365 HA ALA 55 HA ALA 55 -2.494 8.249 4.788 366 1HB ALA 55 1HB ALA 55 -2.189 9.125 7.005 367 2HB ALA 55 2HB ALA 55 -0.644 8.381 6.525 368 3HB ALA 55 3HB ALA 55 -0.832 10.151 6.480 369 H LYS 56 H LYS 56 -0.862 11.161 3.630 370 HA LYS 56 HA LYS 56 -2.955 12.965 4.175 371 1HB LYS 56 1HB LYS 56 -0.441 12.943 2.592 372 2HB LYS 56 2HB LYS 56 -1.659 14.096 2.084 373 1HG LYS 56 1HG LYS 56 -1.047 13.874 5.034 374 2HG LYS 56 2HG LYS 56 0.112 14.695 4.008 375 1HD LYS 56 1HD LYS 56 -1.248 16.512 3.713 376 2HD LYS 56 2HD LYS 56 -2.673 15.525 3.460 377 1HE LYS 56 1HE LYS 56 -3.093 15.311 5.810 378 2HE LYS 56 2HE LYS 56 -1.471 15.817 6.237 379 1HZ LYS 56 1HZ LYS 56 -2.580 17.851 4.750 380 2HZ LYS 56 2HZ LYS 56 -3.723 17.405 5.827 381 3HZ LYS 56 3HZ LYS 56 -2.243 17.858 6.348 382 H GLU 57 H GLU 57 -1.910 12.094 0.834 383 HA GLU 57 HA GLU 57 -4.735 12.026 0.167 384 1HB GLU 57 1HB GLU 57 -2.250 12.406 -1.558 385 2HB GLU 57 2HB GLU 57 -3.869 12.272 -2.215 386 1HG GLU 57 1HG GLU 57 -3.382 14.289 -0.019 387 2HG GLU 57 2HG GLU 57 -2.797 14.659 -1.629 388 H GLY 58 H GLY 58 -1.829 10.072 0.441 389 1HA GLY 58 1HA GLY 58 -1.954 8.052 -1.269 390 2HA GLY 58 2HA GLY 58 -1.699 7.795 0.445 391 H GLY 59 H GLY 59 -4.071 8.193 1.693 392 1HA GLY 59 1HA GLY 59 -6.308 7.614 1.774 393 2HA GLY 59 2HA GLY 59 -6.188 6.844 0.204 394 H LEU 60 H LEU 60 -3.473 5.954 2.063 395 HA LEU 60 HA LEU 60 -4.354 3.283 2.262 396 1HB LEU 60 1HB LEU 60 -1.977 4.370 2.029 397 2HB LEU 60 2HB LEU 60 -2.014 4.363 3.781 398 HG LEU 60 HG LEU 60 -2.156 1.990 3.880 399 1HD1 LEU 60 1HD1 LEU 60 -3.659 1.259 2.301 400 2HD1 LEU 60 2HD1 LEU 60 -2.907 2.194 0.986 401 3HD1 LEU 60 3HD1 LEU 60 -2.121 0.714 1.589 402 1HD2 LEU 60 1HD2 LEU 60 0.058 3.154 3.206 403 2HD2 LEU 60 2HD2 LEU 60 -0.061 1.382 3.087 404 3HD2 LEU 60 3HD2 LEU 60 -0.206 2.383 1.623 405 H GLN 61 H GLN 61 -4.027 2.093 4.517 406 HA GLN 61 HA GLN 61 -4.861 3.662 6.736 407 1HB GLN 61 1HB GLN 61 -6.950 2.918 5.186 408 2HB GLN 61 2HB GLN 61 -6.795 1.448 6.127 409 1HG GLN 61 1HG GLN 61 -6.560 3.475 8.058 410 2HG GLN 61 2HG GLN 61 -7.769 4.107 6.958 411 1HE2 GLN 61 1HE2 GLN 61 -9.344 2.311 6.158 412 2HE2 GLN 61 2HE2 GLN 61 -10.064 1.339 7.397 413 H ILE 62 H ILE 62 -4.099 2.722 8.616 414 HA ILE 62 HA ILE 62 -2.333 0.654 8.548 415 HB ILE 62 HB ILE 62 -4.085 1.454 10.874 416 1HG1 ILE 62 1HG1 ILE 62 -1.813 2.811 9.515 417 2HG1 ILE 62 2HG1 ILE 62 -3.198 3.489 10.349 418 1HG2 ILE 62 1HG2 ILE 62 -2.801 -0.661 11.158 419 2HG2 ILE 62 2HG2 ILE 62 -1.303 0.257 10.876 420 3HG2 ILE 62 3HG2 ILE 62 -2.324 0.632 12.285 421 1HD1 ILE 62 1HD1 ILE 62 -0.718 2.247 11.615 422 2HD1 ILE 62 2HD1 ILE 62 -1.251 3.943 11.711 423 3HD1 ILE 62 3HD1 ILE 62 -2.178 2.669 12.541 424 H HIS 63 H HIS 63 -2.443 -1.578 9.396 425 HA HIS 63 HA HIS 63 -3.248 -3.617 9.305 426 1HB HIS 63 1HB HIS 63 -5.961 -2.474 9.996 427 2HB HIS 63 2HB HIS 63 -5.352 -4.080 10.342 428 HD1 HIS 63 HD1 HIS 63 -6.331 -1.632 12.359 429 HD2 HIS 63 HD2 HIS 63 -2.468 -3.154 11.758 430 HE1 HIS 63 HE1 HIS 63 -5.002 -1.060 14.461 431 H ASP 64 H ASP 64 -2.915 -2.502 6.829 432 HA ASP 64 HA ASP 64 -5.276 -3.491 5.433 433 1HB ASP 64 1HB ASP 64 -3.565 -1.052 4.977 434 2HB ASP 64 2HB ASP 64 -4.192 -1.869 3.559 435 H ARG 65 H ARG 65 -4.812 -4.924 3.663 436 HA ARG 65 HA ARG 65 -2.029 -5.714 3.538 437 1HB ARG 65 1HB ARG 65 -4.076 -7.330 3.989 438 2HB ARG 65 2HB ARG 65 -4.335 -7.229 2.259 439 1HG ARG 65 1HG ARG 65 -1.804 -7.844 2.032 440 2HG ARG 65 2HG ARG 65 -1.891 -8.299 3.722 441 1HD ARG 65 1HD ARG 65 -3.467 -10.045 3.304 442 2HD ARG 65 2HD ARG 65 -3.930 -9.384 1.749 443 HE ARG 65 HE ARG 65 -1.157 -9.973 1.602 444 1HH1 ARG 65 1HH1 ARG 65 -4.197 -11.702 1.989 445 2HH1 ARG 65 2HH1 ARG 65 -3.613 -13.155 1.248 446 1HH2 ARG 65 1HH2 ARG 65 -0.386 -11.890 0.624 447 2HH2 ARG 65 2HH2 ARG 65 -1.431 -13.262 0.467 448 H ILE 66 H ILE 66 -0.915 -4.671 1.905 449 HA ILE 66 HA ILE 66 -2.157 -3.459 -0.277 450 HB ILE 66 HB ILE 66 0.708 -4.369 -0.222 451 1HG1 ILE 66 1HG1 ILE 66 -0.654 -2.368 1.542 452 2HG1 ILE 66 2HG1 ILE 66 0.629 -3.502 1.916 453 1HG2 ILE 66 1HG2 ILE 66 1.083 -2.248 -1.399 454 2HG2 ILE 66 2HG2 ILE 66 -0.063 -3.297 -2.269 455 3HG2 ILE 66 3HG2 ILE 66 -0.663 -1.905 -1.335 456 1HD1 ILE 66 1HD1 ILE 66 2.104 -2.112 0.283 457 2HD1 ILE 66 2HD1 ILE 66 0.831 -0.875 0.405 458 3HD1 ILE 66 3HD1 ILE 66 1.715 -1.388 1.862 459 H ILE 67 H ILE 67 -2.754 -4.156 -2.290 460 HA ILE 67 HA ILE 67 -2.464 -7.022 -2.746 461 HB ILE 67 HB ILE 67 -4.158 -5.130 -4.348 462 1HG1 ILE 67 1HG1 ILE 67 -4.566 -4.820 -1.868 463 2HG1 ILE 67 2HG1 ILE 67 -5.954 -5.280 -2.832 464 1HG2 ILE 67 1HG2 ILE 67 -3.920 -8.073 -3.973 465 2HG2 ILE 67 2HG2 ILE 67 -5.553 -7.404 -4.204 466 3HG2 ILE 67 3HG2 ILE 67 -4.294 -7.121 -5.430 467 1HD1 ILE 67 1HD1 ILE 67 -5.075 -6.580 -0.527 468 2HD1 ILE 67 2HD1 ILE 67 -6.204 -7.254 -1.727 469 3HD1 ILE 67 3HD1 ILE 67 -4.466 -7.624 -1.835 470 H GLU 68 H GLU 68 -1.910 -3.814 -4.320 471 HA GLU 68 HA GLU 68 0.341 -4.954 -5.654 472 1HB GLU 68 1HB GLU 68 -2.092 -5.025 -7.030 473 2HB GLU 68 2HB GLU 68 -1.342 -3.563 -7.639 474 1HG GLU 68 1HG GLU 68 0.001 -4.816 -8.963 475 2HG GLU 68 2HG GLU 68 0.734 -5.522 -7.536 476 H VAL 69 H VAL 69 1.713 -3.258 -6.670 477 HA VAL 69 HA VAL 69 0.922 -0.535 -5.989 478 HB VAL 69 HB VAL 69 2.378 -1.847 -4.206 479 1HG1 VAL 69 1HG1 VAL 69 4.771 -1.494 -4.504 480 2HG1 VAL 69 2HG1 VAL 69 4.129 -2.489 -5.833 481 3HG1 VAL 69 3HG1 VAL 69 4.489 -0.767 -6.104 482 1HG2 VAL 69 1HG2 VAL 69 2.738 0.185 -3.261 483 2HG2 VAL 69 2HG2 VAL 69 3.471 0.865 -4.734 484 3HG2 VAL 69 3HG2 VAL 69 1.700 0.741 -4.596 485 H ASN 70 H ASN 70 1.023 0.549 -7.883 486 HA ASN 70 HA ASN 70 1.890 1.409 -9.691 487 1HB ASN 70 1HB ASN 70 4.199 0.816 -8.424 488 2HB ASN 70 2HB ASN 70 4.338 -0.373 -9.703 489 1HD2 ASN 70 1HD2 ASN 70 4.284 2.988 -8.865 490 2HD2 ASN 70 2HD2 ASN 70 4.804 3.644 -10.381 491 H GLY 71 H GLY 71 2.745 -2.111 -9.319 492 1HA GLY 71 1HA GLY 71 0.969 -3.200 -11.059 493 2HA GLY 71 2HA GLY 71 2.280 -2.687 -12.103 494 H ARG 72 H ARG 72 3.028 -3.520 -8.750 495 HA ARG 72 HA ARG 72 4.174 -5.999 -9.758 496 1HB ARG 72 1HB ARG 72 5.346 -3.793 -8.266 497 2HB ARG 72 2HB ARG 72 5.431 -5.242 -7.285 498 1HG ARG 72 1HG ARG 72 6.378 -6.440 -9.372 499 2HG ARG 72 2HG ARG 72 6.529 -4.854 -10.103 500 1HD ARG 72 1HD ARG 72 8.123 -4.119 -8.463 501 2HD ARG 72 2HD ARG 72 7.719 -5.419 -7.360 502 HE ARG 72 HE ARG 72 8.617 -6.674 -9.718 503 1HH1 ARG 72 1HH1 ARG 72 9.936 -4.467 -7.316 504 2HH1 ARG 72 2HH1 ARG 72 11.566 -5.014 -7.522 505 1HH2 ARG 72 1HH2 ARG 72 10.767 -7.396 -9.990 506 2HH2 ARG 72 2HH2 ARG 72 12.042 -6.692 -9.054 507 H ASP 73 H ASP 73 3.402 -7.877 -8.818 508 HA ASP 73 HA ASP 73 1.320 -7.765 -7.013 509 1HB ASP 73 1HB ASP 73 2.446 -9.686 -8.628 510 2HB ASP 73 2HB ASP 73 2.991 -10.247 -7.060 511 H LEU 74 H LEU 74 1.531 -7.117 -4.862 512 HA LEU 74 HA LEU 74 3.970 -7.967 -3.461 513 1HB LEU 74 1HB LEU 74 2.254 -5.595 -2.754 514 2HB LEU 74 2HB LEU 74 3.840 -6.007 -2.134 515 HG LEU 74 HG LEU 74 3.094 -4.845 -4.804 516 1HD1 LEU 74 1HD1 LEU 74 4.845 -4.078 -2.491 517 2HD1 LEU 74 2HD1 LEU 74 5.179 -3.432 -4.116 518 3HD1 LEU 74 3HD1 LEU 74 3.603 -3.132 -3.346 519 1HD2 LEU 74 1HD2 LEU 74 4.501 -6.316 -5.775 520 2HD2 LEU 74 2HD2 LEU 74 5.747 -5.222 -5.129 521 3HD2 LEU 74 3HD2 LEU 74 5.326 -6.710 -4.248 522 H SER 75 H SER 75 0.979 -9.022 -3.986 523 HA SER 75 HA SER 75 -0.161 -9.073 -1.442 524 1HB SER 75 1HB SER 75 -1.532 -10.981 -2.424 525 2HB SER 75 2HB SER 75 -1.571 -9.486 -3.338 526 HG SER 75 HG SER 75 -0.832 -10.577 -5.013 527 H ARG 76 H ARG 76 1.890 -11.419 -3.294 528 HA ARG 76 HA ARG 76 2.220 -12.859 -0.786 529 1HB ARG 76 1HB ARG 76 2.777 -14.846 -2.158 530 2HB ARG 76 2HB ARG 76 1.212 -14.211 -2.625 531 1HG ARG 76 1HG ARG 76 2.132 -13.141 -4.601 532 2HG ARG 76 2HG ARG 76 3.778 -13.421 -4.069 533 1HD ARG 76 1HD ARG 76 3.536 -15.842 -4.359 534 2HD ARG 76 2HD ARG 76 1.817 -15.687 -4.660 535 HE ARG 76 HE ARG 76 3.509 -14.144 -6.510 536 1HH1 ARG 76 1HH1 ARG 76 1.889 -17.210 -5.908 537 2HH1 ARG 76 2HH1 ARG 76 1.854 -17.666 -7.578 538 1HH2 ARG 76 1HH2 ARG 76 3.463 -14.746 -8.714 539 2HH2 ARG 76 2HH2 ARG 76 2.756 -16.255 -9.185 540 H ALA 77 H ALA 77 3.656 -10.385 -1.906 541 HA ALA 77 HA ALA 77 6.294 -11.412 -2.510 542 1HB ALA 77 1HB ALA 77 6.834 -9.083 -2.924 543 2HB ALA 77 2HB ALA 77 5.268 -9.444 -3.690 544 3HB ALA 77 3HB ALA 77 5.322 -8.550 -2.151 545 H THR 78 H THR 78 8.107 -9.943 -1.263 546 HA THR 78 HA THR 78 7.494 -10.299 1.598 547 HB THR 78 HB THR 78 9.701 -11.149 1.861 548 HG1 THR 78 HG1 THR 78 10.144 -10.058 -0.828 549 1HG2 THR 78 1HG2 THR 78 8.427 -12.764 0.425 550 2HG2 THR 78 2HG2 THR 78 8.968 -11.882 -1.024 551 3HG2 THR 78 3HG2 THR 78 10.153 -12.737 -0.008 552 H HIS 79 H HIS 79 8.787 -8.873 3.080 553 HA HIS 79 HA HIS 79 8.214 -6.257 2.576 554 1HB HIS 79 1HB HIS 79 8.736 -7.304 4.780 555 2HB HIS 79 2HB HIS 79 10.435 -7.311 4.350 556 HD1 HIS 79 HD1 HIS 79 11.746 -5.124 4.604 557 HD2 HIS 79 HD2 HIS 79 7.622 -4.672 5.219 558 HE1 HIS 79 HE1 HIS 79 11.418 -2.779 5.555 559 H ASP 80 H ASP 80 11.005 -8.193 1.556 560 HA ASP 80 HA ASP 80 12.687 -6.053 0.980 561 1HB ASP 80 1HB ASP 80 12.626 -8.931 0.624 562 2HB ASP 80 2HB ASP 80 13.140 -8.199 -0.882 563 H GLN 81 H GLN 81 10.465 -8.101 -1.056 564 HA GLN 81 HA GLN 81 10.942 -6.692 -3.407 565 1HB GLN 81 1HB GLN 81 8.715 -8.535 -2.479 566 2HB GLN 81 2HB GLN 81 8.666 -7.793 -4.066 567 1HG GLN 81 1HG GLN 81 11.133 -8.719 -4.301 568 2HG GLN 81 2HG GLN 81 10.690 -9.769 -2.970 569 1HE2 GLN 81 1HE2 GLN 81 9.215 -11.388 -3.235 570 2HE2 GLN 81 2HE2 GLN 81 8.601 -11.904 -4.771 571 H ALA 82 H ALA 82 8.288 -6.492 -0.944 572 HA ALA 82 HA ALA 82 6.752 -4.577 -2.190 573 1HB ALA 82 1HB ALA 82 7.296 -5.225 0.726 574 2HB ALA 82 2HB ALA 82 6.080 -4.027 0.221 575 3HB ALA 82 3HB ALA 82 5.913 -5.728 -0.276 576 H VAL 83 H VAL 83 9.391 -4.089 0.268 577 HA VAL 83 HA VAL 83 9.358 -1.344 0.258 578 HB VAL 83 HB VAL 83 11.579 -3.349 0.652 579 1HG1 VAL 83 1HG1 VAL 83 12.907 -1.575 1.676 580 2HG1 VAL 83 2HG1 VAL 83 12.547 -1.177 -0.022 581 3HG1 VAL 83 3HG1 VAL 83 11.646 -0.379 1.290 582 1HG2 VAL 83 1HG2 VAL 83 10.467 -1.697 2.867 583 2HG2 VAL 83 2HG2 VAL 83 9.408 -2.959 2.191 584 3HG2 VAL 83 3HG2 VAL 83 11.001 -3.395 2.855 585 H GLU 84 H GLU 84 11.367 -3.569 -1.797 586 HA GLU 84 HA GLU 84 12.616 -1.592 -3.217 587 1HB GLU 84 1HB GLU 84 13.286 -3.964 -3.278 588 2HB GLU 84 2HB GLU 84 11.802 -4.395 -4.105 589 1HG GLU 84 1HG GLU 84 12.461 -3.368 -6.125 590 2HG GLU 84 2HG GLU 84 13.578 -2.276 -5.331 591 H ALA 85 H ALA 85 9.420 -3.166 -3.729 592 HA ALA 85 HA ALA 85 8.883 -2.114 -6.244 593 1HB ALA 85 1HB ALA 85 6.426 -2.354 -5.245 594 2HB ALA 85 2HB ALA 85 7.421 -3.787 -5.598 595 3HB ALA 85 3HB ALA 85 7.293 -3.181 -3.929 596 H PHE 86 H PHE 86 8.048 -0.853 -2.940 597 HA PHE 86 HA PHE 86 6.870 1.497 -3.923 598 1HB PHE 86 1HB PHE 86 8.038 0.425 -1.322 599 2HB PHE 86 2HB PHE 86 7.623 2.126 -1.389 600 HD1 PHE 86 HD1 PHE 86 5.200 2.685 -2.168 601 HD2 PHE 86 HD2 PHE 86 6.408 -1.132 -0.760 602 HE1 PHE 86 HE1 PHE 86 2.811 2.122 -1.642 603 HE2 PHE 86 HE2 PHE 86 4.019 -1.694 -0.235 604 HZ PHE 86 HZ PHE 86 2.249 -0.060 -0.682 605 H LYS 87 H LYS 87 10.213 0.507 -3.397 606 HA LYS 87 HA LYS 87 11.212 3.186 -3.229 607 1HB LYS 87 1HB LYS 87 12.167 0.583 -2.677 608 2HB LYS 87 2HB LYS 87 13.200 1.214 -3.943 609 1HG LYS 87 1HG LYS 87 13.194 3.421 -2.447 610 2HG LYS 87 2HG LYS 87 12.713 2.322 -1.169 611 1HD LYS 87 1HD LYS 87 14.984 1.327 -2.808 612 2HD LYS 87 2HD LYS 87 15.333 2.814 -1.950 613 1HE LYS 87 1HE LYS 87 15.520 1.698 0.017 614 2HE LYS 87 2HE LYS 87 13.909 1.032 -0.159 615 1HZ LYS 87 1HZ LYS 87 16.177 -0.377 -0.288 616 2HZ LYS 87 2HZ LYS 87 14.738 -0.881 -0.871 617 3HZ LYS 87 3HZ LYS 87 15.828 -0.192 -1.872 618 H THR 88 H THR 88 11.156 0.557 -5.725 619 HA THR 88 HA THR 88 12.227 2.365 -7.703 620 HB THR 88 HB THR 88 12.266 0.370 -9.076 621 HG1 THR 88 HG1 THR 88 10.570 -0.784 -6.985 622 1HG2 THR 88 1HG2 THR 88 12.494 -1.348 -6.759 623 2HG2 THR 88 2HG2 THR 88 13.807 -0.686 -7.763 624 3HG2 THR 88 3HG2 THR 88 13.216 0.228 -6.354 625 H ALA 89 H ALA 89 9.150 1.779 -6.330 626 HA ALA 89 HA ALA 89 7.491 1.940 -8.543 627 1HB ALA 89 1HB ALA 89 7.288 2.630 -5.619 628 2HB ALA 89 2HB ALA 89 5.967 3.097 -6.717 629 3HB ALA 89 3HB ALA 89 6.425 1.385 -6.553 630 H LYS 90 H LYS 90 6.627 3.641 -9.755 631 HA LYS 90 HA LYS 90 8.002 6.200 -9.347 632 1HB LYS 90 1HB LYS 90 7.264 4.617 -11.741 633 2HB LYS 90 2HB LYS 90 6.984 6.342 -11.868 634 1HG LYS 90 1HG LYS 90 9.624 5.160 -10.895 635 2HG LYS 90 2HG LYS 90 9.314 5.539 -12.578 636 1HD LYS 90 1HD LYS 90 8.920 7.915 -12.012 637 2HD LYS 90 2HD LYS 90 9.092 7.567 -10.303 638 1HE LYS 90 1HE LYS 90 11.462 6.616 -10.976 639 2HE LYS 90 2HE LYS 90 11.232 7.526 -12.456 640 1HZ LYS 90 1HZ LYS 90 11.240 8.592 -9.723 641 2HZ LYS 90 2HZ LYS 90 12.311 8.907 -10.914 642 3HZ LYS 90 3HZ LYS 90 10.783 9.473 -11.020 643 H GLU 91 H GLU 91 6.755 8.181 -9.628 644 HA GLU 91 HA GLU 91 4.070 7.765 -8.654 645 1HB GLU 91 1HB GLU 91 5.543 10.410 -8.974 646 2HB GLU 91 2HB GLU 91 4.137 10.092 -7.977 647 1HG GLU 91 1HG GLU 91 5.378 8.836 -6.389 648 2HG GLU 91 2HG GLU 91 6.682 8.512 -7.514 649 HA PRO 92 HA PRO 92 2.388 8.797 -8.502 650 1HB PRO 92 1HB PRO 92 -0.176 8.151 -9.191 651 2HB PRO 92 2HB PRO 92 0.366 9.801 -8.956 652 1HG PRO 92 1HG PRO 92 -0.202 8.379 -11.485 653 2HG PRO 92 2HG PRO 92 -0.077 10.103 -11.199 654 1HD PRO 92 1HD PRO 92 1.893 8.421 -12.430 655 2HD PRO 92 2HD PRO 92 2.063 10.121 -12.039 656 H ILE 93 H ILE 93 2.094 7.100 -7.074 657 HA ILE 93 HA ILE 93 2.563 4.544 -8.399 658 HB ILE 93 HB ILE 93 2.781 5.285 -5.480 659 1HG1 ILE 93 1HG1 ILE 93 5.138 4.905 -7.306 660 2HG1 ILE 93 2HG1 ILE 93 4.327 6.457 -7.252 661 1HG2 ILE 93 1HG2 ILE 93 2.404 2.865 -6.039 662 2HG2 ILE 93 2HG2 ILE 93 3.942 2.899 -6.934 663 3HG2 ILE 93 3HG2 ILE 93 3.924 3.217 -5.183 664 1HD1 ILE 93 1HD1 ILE 93 6.313 5.670 -5.508 665 2HD1 ILE 93 2HD1 ILE 93 5.120 6.945 -5.163 666 3HD1 ILE 93 3HD1 ILE 93 4.848 5.288 -4.572 667 H VAL 94 H VAL 94 0.790 3.384 -8.915 668 HA VAL 94 HA VAL 94 -1.661 3.857 -7.470 669 HB VAL 94 HB VAL 94 -0.978 2.012 -9.768 670 1HG1 VAL 94 1HG1 VAL 94 -3.411 1.903 -10.140 671 2HG1 VAL 94 2HG1 VAL 94 -2.957 1.245 -8.550 672 3HG1 VAL 94 3HG1 VAL 94 -3.677 2.869 -8.668 673 1HG2 VAL 94 1HG2 VAL 94 -1.554 3.673 -11.250 674 2HG2 VAL 94 2HG2 VAL 94 -2.596 4.515 -10.078 675 3HG2 VAL 94 3HG2 VAL 94 -0.826 4.651 -9.953 676 H VAL 95 H VAL 95 -1.960 2.899 -5.525 677 HA VAL 95 HA VAL 95 -0.930 0.159 -5.247 678 HB VAL 95 HB VAL 95 -1.520 1.760 -2.834 679 1HG1 VAL 95 1HG1 VAL 95 -0.521 -0.152 -2.154 680 2HG1 VAL 95 2HG1 VAL 95 0.288 -0.412 -3.717 681 3HG1 VAL 95 3HG1 VAL 95 0.980 0.725 -2.535 682 1HG2 VAL 95 1HG2 VAL 95 0.762 2.871 -2.996 683 2HG2 VAL 95 2HG2 VAL 95 0.727 2.481 -4.732 684 3HG2 VAL 95 3HG2 VAL 95 -0.515 3.547 -4.034 685 H GLN 96 H GLN 96 -2.285 -1.367 -4.111 686 HA GLN 96 HA GLN 96 -5.033 -0.451 -3.828 687 1HB GLN 96 1HB GLN 96 -5.029 -1.586 -5.949 688 2HB GLN 96 2HB GLN 96 -4.039 -2.896 -5.337 689 1HG GLN 96 1HG GLN 96 -5.845 -4.017 -4.515 690 2HG GLN 96 2HG GLN 96 -6.485 -2.582 -3.740 691 1HE2 GLN 96 1HE2 GLN 96 -6.027 -4.059 -6.939 692 2HE2 GLN 96 2HE2 GLN 96 -7.515 -3.525 -7.647 693 H VAL 97 H VAL 97 -6.180 -1.363 -2.076 694 HA VAL 97 HA VAL 97 -4.703 -3.357 -0.512 695 HB VAL 97 HB VAL 97 -5.591 -2.089 1.513 696 1HG1 VAL 97 1HG1 VAL 97 -3.645 -0.621 1.590 697 2HG1 VAL 97 2HG1 VAL 97 -3.210 -2.181 0.852 698 3HG1 VAL 97 3HG1 VAL 97 -3.452 -0.747 -0.175 699 1HG2 VAL 97 1HG2 VAL 97 -7.123 -0.636 0.082 700 2HG2 VAL 97 2HG2 VAL 97 -6.161 0.203 1.323 701 3HG2 VAL 97 3HG2 VAL 97 -5.662 0.268 -0.385 702 H LEU 98 H LEU 98 -6.192 -4.470 1.112 703 HA LEU 98 HA LEU 98 -8.847 -4.725 -0.118 704 1HB LEU 98 1HB LEU 98 -6.815 -6.647 0.469 705 2HB LEU 98 2HB LEU 98 -8.204 -6.982 1.483 706 HG LEU 98 HG LEU 98 -9.639 -7.281 -0.392 707 1HD1 LEU 98 1HD1 LEU 98 -7.662 -5.638 -1.773 708 2HD1 LEU 98 2HD1 LEU 98 -8.163 -7.058 -2.722 709 3HD1 LEU 98 3HD1 LEU 98 -9.385 -5.908 -2.128 710 1HD2 LEU 98 1HD2 LEU 98 -7.149 -8.759 -0.168 711 2HD2 LEU 98 2HD2 LEU 98 -8.806 -9.342 -0.450 712 3HD2 LEU 98 3HD2 LEU 98 -7.803 -8.814 -1.822 713 H ARG 99 H ARG 99 -10.345 -3.651 1.052 714 HA ARG 99 HA ARG 99 -9.938 -3.644 3.931 715 1HB ARG 99 1HB ARG 99 -11.832 -1.820 2.384 716 2HB ARG 99 2HB ARG 99 -11.219 -1.589 4.010 717 1HG ARG 99 1HG ARG 99 -9.313 -1.729 1.647 718 2HG ARG 99 2HG ARG 99 -10.130 -0.230 2.044 719 1HD ARG 99 1HD ARG 99 -8.940 -1.516 4.424 720 2HD ARG 99 2HD ARG 99 -7.744 -1.161 3.195 721 HE ARG 99 HE ARG 99 -8.953 0.762 4.888 722 1HH1 ARG 99 1HH1 ARG 99 -8.297 0.343 1.456 723 2HH1 ARG 99 2HH1 ARG 99 -8.189 2.042 1.139 724 1HH2 ARG 99 1HH2 ARG 99 -8.810 3.004 4.470 725 2HH2 ARG 99 2HH2 ARG 99 -8.483 3.566 2.864 726 H ARG 100 H ARG 100 -11.496 -4.596 5.266 727 HA ARG 100 HA ARG 100 -13.572 -6.007 3.881 728 1HB ARG 100 1HB ARG 100 -13.942 -7.088 6.136 729 2HB ARG 100 2HB ARG 100 -12.295 -7.251 5.558 730 1HG ARG 100 1HG ARG 100 -12.613 -4.767 7.080 731 2HG ARG 100 2HG ARG 100 -13.135 -6.143 8.031 732 1HD ARG 100 1HD ARG 100 -10.992 -6.852 8.332 733 2HD ARG 100 2HD ARG 100 -10.660 -6.789 6.612 734 HE ARG 100 HE ARG 100 -10.652 -4.118 7.359 735 1HH1 ARG 100 1HH1 ARG 100 -8.952 -6.983 8.493 736 2HH1 ARG 100 2HH1 ARG 100 -7.551 -6.104 9.007 737 1HH2 ARG 100 1HH2 ARG 100 -8.803 -2.958 8.037 738 2HH2 ARG 100 2HH2 ARG 100 -7.465 -3.800 8.746 739 H THR 101 H THR 101 -15.694 -6.185 5.584 740 HA THR 101 HA THR 101 -16.576 -3.392 5.807 741 HB THR 101 HB THR 101 -17.857 -4.833 4.250 742 HG1 THR 101 HG1 THR 101 -19.597 -3.839 5.190 743 1HG2 THR 101 1HG2 THR 101 -19.321 -6.576 5.792 744 2HG2 THR 101 2HG2 THR 101 -17.899 -7.074 4.845 745 3HG2 THR 101 3HG2 THR 101 -17.730 -6.713 6.580 746 H SER 102 H SER 102 -14.962 -3.732 7.825 747 HA SER 102 HA SER 102 -16.794 -3.891 10.016 748 1HB SER 102 1HB SER 102 -15.310 -6.183 9.416 749 2HB SER 102 2HB SER 102 -14.340 -5.406 10.651 750 HG SER 102 HG SER 102 -16.906 -6.575 10.837 751 H GLY 103 H GLY 103 -15.737 -3.036 12.072 752 1HA GLY 103 1HA GLY 103 -13.581 -2.081 12.884 753 2HA GLY 103 2HA GLY 103 -13.526 -1.199 11.371 754 HA PRO 104 HA PRO 104 -15.923 1.195 14.505 755 1HB PRO 104 1HB PRO 104 -14.108 3.140 15.130 756 2HB PRO 104 2HB PRO 104 -14.355 1.709 16.111 757 1HG PRO 104 1HG PRO 104 -12.125 2.335 14.274 758 2HG PRO 104 2HG PRO 104 -12.188 1.143 15.558 759 1HD PRO 104 1HD PRO 104 -12.402 0.645 12.741 760 2HD PRO 104 2HD PRO 104 -12.581 -0.529 14.030 761 H SER 105 H SER 105 -13.581 2.662 12.300 762 HA SER 105 HA SER 105 -14.952 4.917 11.767 763 1HB SER 105 1HB SER 105 -12.654 4.094 10.896 764 2HB SER 105 2HB SER 105 -13.540 3.322 9.596 765 HG SER 105 HG SER 105 -12.928 6.016 9.977 766 H SER 106 H SER 106 -16.437 5.575 10.026 767 HA SER 106 HA SER 106 -18.162 5.377 8.721 768 1HB SER 106 1HB SER 106 -16.540 3.258 7.879 769 2HB SER 106 2HB SER 106 -18.089 2.483 8.142 770 HG SER 106 HG SER 106 -18.684 4.746 6.870 771 H GLY 107 H GLY 107 -19.947 5.673 10.035 772 1HA GLY 107 1HA GLY 107 -20.850 3.384 11.659 773 2HA GLY 107 2HA GLY 107 -21.222 5.073 11.943 Start of MODEL 18 1 1H GLY 1 1H GLY 1 -18.343 -23.511 -8.506 2 1HA GLY 1 1HA GLY 1 -15.733 -22.671 -9.343 3 2HA GLY 1 2HA GLY 1 -16.888 -21.779 -8.373 4 H SER 2 H SER 2 -14.517 -21.335 -7.414 5 HA SER 2 HA SER 2 -14.310 -23.165 -5.161 6 1HB SER 2 1HB SER 2 -11.778 -22.708 -5.245 7 2HB SER 2 2HB SER 2 -12.423 -23.791 -6.462 8 HG SER 2 HG SER 2 -11.202 -21.310 -6.767 9 H SER 3 H SER 3 -13.316 -22.118 -3.199 10 HA SER 3 HA SER 3 -13.245 -20.523 -1.730 11 1HB SER 3 1HB SER 3 -11.470 -19.705 -3.432 12 2HB SER 3 2HB SER 3 -12.662 -18.532 -3.955 13 HG SER 3 HG SER 3 -10.972 -18.258 -1.937 14 H GLY 4 H GLY 4 -14.236 -18.256 -1.061 15 1HA GLY 4 1HA GLY 4 -16.383 -17.181 -2.538 16 2HA GLY 4 2HA GLY 4 -17.004 -18.368 -1.409 17 H SER 5 H SER 5 -17.569 -15.541 -1.273 18 HA SER 5 HA SER 5 -17.678 -13.915 0.158 19 1HB SER 5 1HB SER 5 -16.576 -16.005 2.080 20 2HB SER 5 2HB SER 5 -17.091 -14.415 2.605 21 HG SER 5 HG SER 5 -19.041 -15.285 2.733 22 H SER 6 H SER 6 -16.372 -12.148 -0.127 23 HA SER 6 HA SER 6 -13.728 -12.249 0.967 24 1HB SER 6 1HB SER 6 -14.269 -12.033 -2.002 25 2HB SER 6 2HB SER 6 -12.888 -11.199 -1.317 26 HG SER 6 HG SER 6 -12.788 -13.654 -0.275 27 H GLY 7 H GLY 7 -12.709 -9.992 0.925 28 1HA GLY 7 1HA GLY 7 -14.727 -8.044 1.562 29 2HA GLY 7 2HA GLY 7 -12.987 -7.863 1.665 30 H LYS 8 H LYS 8 -13.000 -5.778 0.657 31 HA LYS 8 HA LYS 8 -13.549 -5.920 -2.225 32 1HB LYS 8 1HB LYS 8 -14.838 -4.279 -0.284 33 2HB LYS 8 2HB LYS 8 -13.822 -3.233 -1.255 34 1HG LYS 8 1HG LYS 8 -15.752 -3.287 -2.569 35 2HG LYS 8 2HG LYS 8 -14.834 -4.590 -3.299 36 1HD LYS 8 1HD LYS 8 -16.069 -6.082 -1.458 37 2HD LYS 8 2HD LYS 8 -17.216 -4.757 -1.442 38 1HE LYS 8 1HE LYS 8 -18.164 -5.530 -3.351 39 2HE LYS 8 2HE LYS 8 -16.642 -5.346 -4.201 40 1HZ LYS 8 1HZ LYS 8 -16.006 -7.509 -3.541 41 2HZ LYS 8 2HZ LYS 8 -17.280 -7.677 -2.533 42 3HZ LYS 8 3HZ LYS 8 -17.517 -7.628 -4.148 43 H SER 9 H SER 9 -12.180 -4.478 -3.546 44 HA SER 9 HA SER 9 -9.640 -4.036 -2.180 45 1HB SER 9 1HB SER 9 -8.488 -4.615 -4.184 46 2HB SER 9 2HB SER 9 -9.744 -5.825 -4.014 47 HG SER 9 HG SER 9 -9.560 -3.652 -5.866 48 H LEU 10 H LEU 10 -9.170 -1.889 -1.902 49 HA LEU 10 HA LEU 10 -10.419 -0.008 -3.773 50 1HB LEU 10 1HB LEU 10 -9.394 0.386 -0.958 51 2HB LEU 10 2HB LEU 10 -10.021 1.660 -1.985 52 HG LEU 10 HG LEU 10 -12.226 0.665 -1.992 53 1HD1 LEU 10 1HD1 LEU 10 -10.821 -1.656 -0.728 54 2HD1 LEU 10 2HD1 LEU 10 -12.526 -1.345 -0.320 55 3HD1 LEU 10 3HD1 LEU 10 -12.052 -1.622 -2.014 56 1HD2 LEU 10 1HD2 LEU 10 -12.772 0.822 0.430 57 2HD2 LEU 10 2HD2 LEU 10 -11.027 0.864 0.782 58 3HD2 LEU 10 3HD2 LEU 10 -11.775 2.167 -0.172 59 H THR 11 H THR 11 -9.142 1.734 -4.652 60 HA THR 11 HA THR 11 -6.308 0.988 -4.836 61 HB THR 11 HB THR 11 -7.716 2.951 -6.665 62 HG1 THR 11 HG1 THR 11 -7.872 0.023 -6.523 63 1HG2 THR 11 1HG2 THR 11 -6.377 1.563 -8.362 64 2HG2 THR 11 2HG2 THR 11 -5.383 2.490 -7.211 65 3HG2 THR 11 3HG2 THR 11 -5.621 0.742 -6.975 66 H LEU 12 H LEU 12 -4.651 2.407 -4.381 67 HA LEU 12 HA LEU 12 -5.457 5.050 -3.432 68 1HB LEU 12 1HB LEU 12 -3.375 3.989 -1.763 69 2HB LEU 12 2HB LEU 12 -4.915 4.701 -1.325 70 HG LEU 12 HG LEU 12 -5.680 2.192 -2.150 71 1HD1 LEU 12 1HD1 LEU 12 -3.922 0.886 -0.555 72 2HD1 LEU 12 2HD1 LEU 12 -3.803 0.963 -2.329 73 3HD1 LEU 12 3HD1 LEU 12 -2.844 2.077 -1.324 74 1HD2 LEU 12 1HD2 LEU 12 -6.544 2.090 -0.087 75 2HD2 LEU 12 2HD2 LEU 12 -4.965 2.332 0.699 76 3HD2 LEU 12 3HD2 LEU 12 -5.886 3.733 0.099 77 H VAL 13 H VAL 13 -4.051 6.674 -4.021 78 HA VAL 13 HA VAL 13 -1.791 5.789 -5.651 79 HB VAL 13 HB VAL 13 -3.384 8.347 -5.487 80 1HG1 VAL 13 1HG1 VAL 13 -1.013 8.921 -5.781 81 2HG1 VAL 13 2HG1 VAL 13 -0.910 7.806 -7.165 82 3HG1 VAL 13 3HG1 VAL 13 -1.947 9.249 -7.261 83 1HG2 VAL 13 1HG2 VAL 13 -4.624 7.294 -7.020 84 2HG2 VAL 13 2HG2 VAL 13 -3.237 7.441 -8.125 85 3HG2 VAL 13 3HG2 VAL 13 -3.452 5.962 -7.158 86 H LEU 14 H LEU 14 0.178 5.761 -4.712 87 HA LEU 14 HA LEU 14 0.562 7.471 -2.372 88 1HB LEU 14 1HB LEU 14 2.012 5.020 -3.371 89 2HB LEU 14 2HB LEU 14 2.569 5.996 -2.027 90 HG LEU 14 HG LEU 14 0.051 4.335 -2.197 91 1HD1 LEU 14 1HD1 LEU 14 1.679 4.008 0.170 92 2HD1 LEU 14 2HD1 LEU 14 1.174 2.807 -1.043 93 3HD1 LEU 14 3HD1 LEU 14 2.647 3.772 -1.305 94 1HD2 LEU 14 1HD2 LEU 14 -0.824 6.163 -1.098 95 2HD2 LEU 14 2HD2 LEU 14 -0.211 5.186 0.258 96 3HD2 LEU 14 3HD2 LEU 14 0.725 6.582 -0.327 97 H HIS 15 H HIS 15 2.572 8.707 -2.163 98 HA HIS 15 HA HIS 15 3.900 9.195 -4.708 99 1HB HIS 15 1HB HIS 15 2.374 11.194 -3.068 100 2HB HIS 15 2HB HIS 15 3.796 11.713 -3.950 101 HD1 HIS 15 HD1 HIS 15 3.541 12.140 -6.438 102 HD2 HIS 15 HD2 HIS 15 0.260 10.113 -4.786 103 HE1 HIS 15 HE1 HIS 15 1.756 12.064 -8.260 104 H ARG 16 H ARG 16 5.751 11.037 -4.073 105 HA ARG 16 HA ARG 16 6.885 10.127 -1.561 106 1HB ARG 16 1HB ARG 16 8.234 10.209 -4.295 107 2HB ARG 16 2HB ARG 16 9.175 10.226 -2.817 108 1HG ARG 16 1HG ARG 16 7.701 8.117 -2.168 109 2HG ARG 16 2HG ARG 16 7.381 8.031 -3.889 110 1HD ARG 16 1HD ARG 16 10.249 8.343 -2.986 111 2HD ARG 16 2HD ARG 16 9.489 6.774 -2.802 112 HE ARG 16 HE ARG 16 8.853 7.449 -5.403 113 1HH1 ARG 16 1HH1 ARG 16 11.880 7.331 -3.612 114 2HH1 ARG 16 2HH1 ARG 16 12.839 6.966 -5.007 115 1HH2 ARG 16 1HH2 ARG 16 10.118 6.967 -7.244 116 2HH2 ARG 16 2HH2 ARG 16 11.830 6.757 -7.087 117 H ASP 17 H ASP 17 6.831 12.026 -0.367 118 HA ASP 17 HA ASP 17 7.045 14.531 -1.632 119 1HB ASP 17 1HB ASP 17 5.790 14.628 0.338 120 2HB ASP 17 2HB ASP 17 6.826 13.493 1.181 121 H SER 18 H SER 18 9.210 12.264 0.100 122 HA SER 18 HA SER 18 11.480 13.540 -0.949 123 1HB SER 18 1HB SER 18 10.763 14.948 1.159 124 2HB SER 18 2HB SER 18 11.400 13.601 2.080 125 HG SER 18 HG SER 18 13.125 15.001 1.831 126 H GLY 19 H GLY 19 11.168 11.149 -1.632 127 1HA GLY 19 1HA GLY 19 11.721 8.972 -1.486 128 2HA GLY 19 2HA GLY 19 13.105 9.535 -0.571 129 H SER 20 H SER 20 9.676 9.908 0.445 130 HA SER 20 HA SER 20 10.002 7.725 2.297 131 1HB SER 20 1HB SER 20 10.863 9.836 3.427 132 2HB SER 20 2HB SER 20 9.256 10.515 3.273 133 HG SER 20 HG SER 20 8.517 9.259 4.872 134 H LEU 21 H LEU 21 8.300 6.669 1.147 135 HA LEU 21 HA LEU 21 6.023 7.723 0.165 136 1HB LEU 21 1HB LEU 21 6.580 5.081 1.490 137 2HB LEU 21 2HB LEU 21 5.005 5.451 0.816 138 HG LEU 21 HG LEU 21 6.347 4.153 -0.744 139 1HD1 LEU 21 1HD1 LEU 21 5.147 5.210 -2.281 140 2HD1 LEU 21 2HD1 LEU 21 5.155 6.713 -1.327 141 3HD1 LEU 21 3HD1 LEU 21 6.482 6.374 -2.464 142 1HD2 LEU 21 1HD2 LEU 21 8.288 6.467 -0.898 143 2HD2 LEU 21 2HD2 LEU 21 8.561 5.018 0.100 144 3HD2 LEU 21 3HD2 LEU 21 8.414 4.867 -1.667 145 H GLY 22 H GLY 22 6.791 7.014 3.596 146 1HA GLY 22 1HA GLY 22 5.900 8.262 5.352 147 2HA GLY 22 2HA GLY 22 4.523 8.705 4.363 148 H PHE 23 H PHE 23 6.005 5.460 5.043 149 HA PHE 23 HA PHE 23 4.093 4.650 6.887 150 1HB PHE 23 1HB PHE 23 2.515 3.473 5.507 151 2HB PHE 23 2HB PHE 23 2.768 4.961 4.617 152 HD1 PHE 23 HD1 PHE 23 5.206 4.603 3.169 153 HD2 PHE 23 HD2 PHE 23 2.211 1.726 4.041 154 HE1 PHE 23 HE1 PHE 23 5.889 3.279 1.149 155 HE2 PHE 23 HE2 PHE 23 2.894 0.402 2.021 156 HZ PHE 23 HZ PHE 23 4.725 1.195 0.599 157 H ASN 24 H ASN 24 4.009 2.060 6.910 158 HA ASN 24 HA ASN 24 6.600 1.113 5.987 159 1HB ASN 24 1HB ASN 24 5.337 0.681 8.744 160 2HB ASN 24 2HB ASN 24 6.729 -0.217 8.173 161 1HD2 ASN 24 1HD2 ASN 24 7.694 0.724 10.106 162 2HD2 ASN 24 2HD2 ASN 24 8.436 2.287 10.024 163 H ILE 25 H ILE 25 6.594 -1.482 6.296 164 HA ILE 25 HA ILE 25 3.889 -2.509 5.870 165 HB ILE 25 HB ILE 25 5.207 -4.020 4.114 166 1HG1 ILE 25 1HG1 ILE 25 6.470 -1.380 3.474 167 2HG1 ILE 25 2HG1 ILE 25 7.255 -2.418 4.647 168 1HG2 ILE 25 1HG2 ILE 25 3.777 -1.396 3.764 169 2HG2 ILE 25 2HG2 ILE 25 4.391 -2.302 2.360 170 3HG2 ILE 25 3HG2 ILE 25 3.202 -3.052 3.452 171 1HD1 ILE 25 1HD1 ILE 25 6.756 -2.899 1.713 172 2HD1 ILE 25 2HD1 ILE 25 8.221 -3.207 2.677 173 3HD1 ILE 25 3HD1 ILE 25 6.825 -4.305 2.804 174 H ILE 26 H ILE 26 3.704 -4.843 6.300 175 HA ILE 26 HA ILE 26 5.943 -5.854 7.900 176 HB ILE 26 HB ILE 26 4.589 -6.469 9.671 177 1HG1 ILE 26 1HG1 ILE 26 2.098 -5.834 8.067 178 2HG1 ILE 26 2HG1 ILE 26 2.775 -7.442 8.231 179 1HG2 ILE 26 1HG2 ILE 26 4.914 -3.898 9.174 180 2HG2 ILE 26 2HG2 ILE 26 3.140 -3.931 9.036 181 3HG2 ILE 26 3HG2 ILE 26 3.926 -4.460 10.543 182 1HD1 ILE 26 1HD1 ILE 26 0.910 -6.831 9.886 183 2HD1 ILE 26 2HD1 ILE 26 2.403 -7.477 10.608 184 3HD1 ILE 26 3HD1 ILE 26 2.079 -5.727 10.651 185 H GLY 27 H GLY 27 5.781 -8.291 8.207 186 1HA GLY 27 1HA GLY 27 5.119 -10.378 7.466 187 2HA GLY 27 2HA GLY 27 4.203 -9.649 6.162 188 H GLY 28 H GLY 28 6.377 -11.825 6.258 189 1HA GLY 28 1HA GLY 28 7.492 -12.016 3.998 190 2HA GLY 28 2HA GLY 28 8.340 -10.552 4.454 191 H ARG 29 H ARG 29 10.200 -12.207 4.019 192 HA ARG 29 HA ARG 29 11.436 -12.709 6.386 193 1HB ARG 29 1HB ARG 29 9.596 -14.869 5.600 194 2HB ARG 29 2HB ARG 29 11.243 -15.456 5.716 195 1HG ARG 29 1HG ARG 29 10.988 -13.826 7.986 196 2HG ARG 29 2HG ARG 29 9.411 -14.579 7.860 197 1HD ARG 29 1HD ARG 29 10.218 -16.636 8.455 198 2HD ARG 29 2HD ARG 29 11.596 -16.506 7.381 199 HE ARG 29 HE ARG 29 12.228 -14.734 9.410 200 1HH1 ARG 29 1HH1 ARG 29 11.274 -18.121 9.354 201 2HH1 ARG 29 2HH1 ARG 29 12.149 -18.523 10.793 202 1HH2 ARG 29 1HH2 ARG 29 13.382 -15.265 11.309 203 2HH2 ARG 29 2HH2 ARG 29 13.356 -16.888 11.913 204 HA PRO 30 HA PRO 30 14.531 -13.247 3.355 205 1HB PRO 30 1HB PRO 30 16.662 -13.939 4.919 206 2HB PRO 30 2HB PRO 30 16.127 -12.284 4.706 207 1HG PRO 30 1HG PRO 30 15.768 -14.062 7.040 208 2HG PRO 30 2HG PRO 30 15.630 -12.317 6.958 209 1HD PRO 30 1HD PRO 30 13.474 -14.205 7.067 210 2HD PRO 30 2HD PRO 30 13.338 -12.469 6.868 211 H SER 31 H SER 31 15.173 -14.700 1.855 212 HA SER 31 HA SER 31 15.628 -17.360 2.801 213 1HB SER 31 1HB SER 31 13.062 -16.602 1.684 214 2HB SER 31 2HB SER 31 13.852 -17.716 0.585 215 HG SER 31 HG SER 31 13.430 -19.311 1.939 216 H VAL 32 H VAL 32 14.653 -15.877 -0.378 217 HA VAL 32 HA VAL 32 15.644 -15.966 -2.367 218 HB VAL 32 HB VAL 32 18.230 -15.338 -0.984 219 1HG1 VAL 32 1HG1 VAL 32 18.423 -13.692 -2.815 220 2HG1 VAL 32 2HG1 VAL 32 18.201 -15.349 -3.426 221 3HG1 VAL 32 3HG1 VAL 32 16.836 -14.207 -3.434 222 1HG2 VAL 32 1HG2 VAL 32 17.031 -12.887 -1.133 223 2HG2 VAL 32 2HG2 VAL 32 15.662 -13.917 -0.648 224 3HG2 VAL 32 3HG2 VAL 32 17.139 -13.875 0.344 225 H ASP 33 H ASP 33 15.234 -18.498 -1.700 226 HA ASP 33 HA ASP 33 17.141 -20.214 -1.112 227 1HB ASP 33 1HB ASP 33 15.011 -21.098 -1.677 228 2HB ASP 33 2HB ASP 33 14.985 -20.299 -3.236 229 H ASN 34 H ASN 34 16.390 -19.351 -4.582 230 HA ASN 34 HA ASN 34 19.102 -18.867 -5.161 231 1HB ASN 34 1HB ASN 34 18.938 -21.452 -5.096 232 2HB ASN 34 2HB ASN 34 17.880 -21.338 -6.489 233 1HD2 ASN 34 1HD2 ASN 34 18.687 -21.026 -8.469 234 2HD2 ASN 34 2HD2 ASN 34 20.364 -20.839 -8.858 235 H HIS 35 H HIS 35 18.374 -16.962 -6.226 236 HA HIS 35 HA HIS 35 17.380 -15.674 -7.704 237 1HB HIS 35 1HB HIS 35 18.593 -17.767 -9.087 238 2HB HIS 35 2HB HIS 35 17.007 -17.652 -9.823 239 HD1 HIS 35 HD1 HIS 35 19.545 -16.875 -11.416 240 HD2 HIS 35 HD2 HIS 35 17.191 -14.150 -9.265 241 HE1 HIS 35 HE1 HIS 35 19.980 -14.582 -12.449 242 H ASP 36 H ASP 36 15.375 -15.631 -9.436 243 HA ASP 36 HA ASP 36 13.220 -15.670 -9.661 244 1HB ASP 36 1HB ASP 36 13.523 -18.401 -8.343 245 2HB ASP 36 2HB ASP 36 11.971 -17.812 -8.904 246 H GLY 37 H GLY 37 11.101 -15.436 -8.406 247 1HA GLY 37 1HA GLY 37 11.644 -14.902 -5.548 248 2HA GLY 37 2HA GLY 37 10.548 -13.979 -6.558 249 H SER 38 H SER 38 10.847 -16.614 -4.372 250 HA SER 38 HA SER 38 8.869 -18.304 -5.272 251 1HB SER 38 1HB SER 38 8.926 -19.269 -3.090 252 2HB SER 38 2HB SER 38 10.546 -18.664 -3.371 253 HG SER 38 HG SER 38 10.337 -17.359 -1.692 254 H SER 39 H SER 39 6.709 -18.653 -3.904 255 HA SER 39 HA SER 39 5.484 -16.015 -3.679 256 1HB SER 39 1HB SER 39 4.085 -18.639 -4.350 257 2HB SER 39 2HB SER 39 3.378 -17.036 -4.395 258 HG SER 39 HG SER 39 5.671 -17.729 -6.007 259 H SER 40 H SER 40 4.555 -15.484 -1.712 260 HA SER 40 HA SER 40 3.166 -16.976 -0.048 261 1HB SER 40 1HB SER 40 6.035 -17.730 0.176 262 2HB SER 40 2HB SER 40 5.260 -17.380 1.708 263 HG SER 40 HG SER 40 3.471 -18.876 0.529 264 H GLU 41 H GLU 41 3.653 -16.202 2.494 265 HA GLU 41 HA GLU 41 3.709 -14.528 3.875 266 1HB GLU 41 1HB GLU 41 5.687 -13.308 1.901 267 2HB GLU 41 2HB GLU 41 5.357 -12.642 3.488 268 1HG GLU 41 1HG GLU 41 6.474 -15.423 2.898 269 2HG GLU 41 2HG GLU 41 7.365 -14.073 3.571 270 H GLY 42 H GLY 42 3.042 -12.144 4.184 271 1HA GLY 42 1HA GLY 42 1.393 -11.245 1.899 272 2HA GLY 42 2HA GLY 42 0.767 -11.320 3.534 273 H ILE 43 H ILE 43 0.998 -8.931 1.837 274 HA ILE 43 HA ILE 43 2.991 -7.437 3.395 275 HB ILE 43 HB ILE 43 1.917 -6.894 0.625 276 1HG1 ILE 43 1HG1 ILE 43 3.411 -8.703 0.430 277 2HG1 ILE 43 2HG1 ILE 43 4.340 -7.282 -0.006 278 1HG2 ILE 43 1HG2 ILE 43 2.307 -4.773 1.467 279 2HG2 ILE 43 2HG2 ILE 43 3.672 -5.306 2.477 280 3HG2 ILE 43 3HG2 ILE 43 3.867 -5.180 0.712 281 1HD1 ILE 43 1HD1 ILE 43 4.875 -7.298 2.649 282 2HD1 ILE 43 2HD1 ILE 43 4.567 -9.036 2.415 283 3HD1 ILE 43 3HD1 ILE 43 5.842 -8.223 1.475 284 H PHE 44 H PHE 44 2.168 -6.101 4.906 285 HA PHE 44 HA PHE 44 -0.456 -4.933 4.359 286 1HB PHE 44 1HB PHE 44 0.598 -6.326 6.892 287 2HB PHE 44 2HB PHE 44 -0.864 -5.360 6.887 288 HD1 PHE 44 HD1 PHE 44 -2.895 -6.401 6.495 289 HD2 PHE 44 HD2 PHE 44 0.658 -8.279 5.133 290 HE1 PHE 44 HE1 PHE 44 -4.224 -8.416 5.807 291 HE2 PHE 44 HE2 PHE 44 -0.671 -10.295 4.445 292 HZ PHE 44 HZ PHE 44 -3.096 -10.339 4.791 293 H VAL 45 H VAL 45 -0.916 -3.102 6.032 294 HA VAL 45 HA VAL 45 1.603 -1.636 6.379 295 HB VAL 45 HB VAL 45 -1.248 -0.743 5.941 296 1HG1 VAL 45 1HG1 VAL 45 0.891 0.625 7.329 297 2HG1 VAL 45 2HG1 VAL 45 0.456 1.497 5.840 298 3HG1 VAL 45 3HG1 VAL 45 -0.792 1.136 7.056 299 1HG2 VAL 45 1HG2 VAL 45 1.071 0.155 4.277 300 2HG2 VAL 45 2HG2 VAL 45 0.468 -1.506 4.055 301 3HG2 VAL 45 3HG2 VAL 45 -0.628 -0.122 3.822 302 H SER 46 H SER 46 2.303 -1.196 8.413 303 HA SER 46 HA SER 46 0.325 -1.557 10.528 304 1HB SER 46 1HB SER 46 1.941 -3.412 10.538 305 2HB SER 46 2HB SER 46 3.286 -2.288 10.536 306 HG SER 46 HG SER 46 1.304 -2.548 12.636 307 H LYS 47 H LYS 47 2.292 0.604 8.846 308 HA LYS 47 HA LYS 47 2.110 2.515 11.024 309 1HB LYS 47 1HB LYS 47 4.439 1.246 10.885 310 2HB LYS 47 2HB LYS 47 4.734 2.385 9.586 311 1HG LYS 47 1HG LYS 47 3.615 4.006 11.571 312 2HG LYS 47 2HG LYS 47 4.563 2.863 12.503 313 1HD LYS 47 1HD LYS 47 6.532 3.357 10.947 314 2HD LYS 47 2HD LYS 47 5.568 4.630 10.225 315 1HE LYS 47 1HE LYS 47 7.021 5.591 11.959 316 2HE LYS 47 2HE LYS 47 5.348 5.736 12.458 317 1HZ LYS 47 1HZ LYS 47 6.612 3.303 13.274 318 2HZ LYS 47 2HZ LYS 47 7.264 4.646 13.936 319 3HZ LYS 47 3HZ LYS 47 5.674 4.329 14.131 320 H ILE 48 H ILE 48 1.650 4.583 10.302 321 HA ILE 48 HA ILE 48 2.018 5.149 7.484 322 HB ILE 48 HB ILE 48 -0.639 4.788 8.806 323 1HG1 ILE 48 1HG1 ILE 48 0.667 3.970 6.220 324 2HG1 ILE 48 2HG1 ILE 48 -0.058 2.965 7.458 325 1HG2 ILE 48 1HG2 ILE 48 -0.538 7.163 8.096 326 2HG2 ILE 48 2HG2 ILE 48 -0.180 6.622 6.439 327 3HG2 ILE 48 3HG2 ILE 48 -1.736 6.204 7.194 328 1HD1 ILE 48 1HD1 ILE 48 -2.307 3.795 6.883 329 2HD1 ILE 48 2HD1 ILE 48 -1.606 4.918 5.693 330 3HD1 ILE 48 3HD1 ILE 48 -1.503 3.161 5.427 331 H VAL 49 H VAL 49 3.136 7.019 7.524 332 HA VAL 49 HA VAL 49 3.054 8.713 9.804 333 HB VAL 49 HB VAL 49 4.750 9.893 8.760 334 1HG1 VAL 49 1HG1 VAL 49 5.476 7.565 7.155 335 2HG1 VAL 49 2HG1 VAL 49 6.239 8.227 8.620 336 3HG1 VAL 49 3HG1 VAL 49 4.860 7.110 8.762 337 1HG2 VAL 49 1HG2 VAL 49 3.674 8.919 6.094 338 2HG2 VAL 49 2HG2 VAL 49 3.610 10.576 6.741 339 3HG2 VAL 49 3HG2 VAL 49 5.175 9.852 6.302 340 H ASP 50 H ASP 50 2.269 10.902 9.925 341 HA ASP 50 HA ASP 50 -0.225 11.172 8.660 342 1HB ASP 50 1HB ASP 50 1.473 12.807 10.539 343 2HB ASP 50 2HB ASP 50 0.173 13.636 9.706 344 H SER 51 H SER 51 2.007 13.966 8.911 345 HA SER 51 HA SER 51 1.468 15.357 6.847 346 1HB SER 51 1HB SER 51 4.091 14.640 8.061 347 2HB SER 51 2HB SER 51 4.201 15.393 6.483 348 HG SER 51 HG SER 51 4.171 17.106 7.902 349 H GLY 52 H GLY 52 3.555 12.398 6.562 350 1HA GLY 52 1HA GLY 52 4.313 12.271 4.038 351 2HA GLY 52 2HA GLY 52 3.593 10.891 4.843 352 HA PRO 53 HA PRO 53 0.842 12.645 1.449 353 1HB PRO 53 1HB PRO 53 1.932 11.794 -0.908 354 2HB PRO 53 2HB PRO 53 2.139 13.420 -0.288 355 1HG PRO 53 1HG PRO 53 4.082 11.193 -0.332 356 2HG PRO 53 2HG PRO 53 4.381 12.906 -0.120 357 1HD PRO 53 1HD PRO 53 4.382 10.899 1.928 358 2HD PRO 53 2HD PRO 53 4.566 12.626 2.154 359 H ALA 54 H ALA 54 2.069 9.800 2.518 360 HA ALA 54 HA ALA 54 0.391 8.131 0.864 361 1HB ALA 54 1HB ALA 54 2.364 7.709 3.118 362 2HB ALA 54 2HB ALA 54 1.296 6.391 2.580 363 3HB ALA 54 3HB ALA 54 2.442 7.131 1.437 364 H ALA 55 H ALA 55 0.198 9.976 3.828 365 HA ALA 55 HA ALA 55 -2.040 8.387 4.797 366 1HB ALA 55 1HB ALA 55 -0.146 10.410 5.885 367 2HB ALA 55 2HB ALA 55 -1.804 10.467 6.532 368 3HB ALA 55 3HB ALA 55 -0.851 8.969 6.657 369 H LYS 56 H LYS 56 -1.328 11.886 4.084 370 HA LYS 56 HA LYS 56 -3.934 12.749 4.140 371 1HB LYS 56 1HB LYS 56 -3.000 14.537 2.501 372 2HB LYS 56 2HB LYS 56 -2.358 14.434 4.128 373 1HG LYS 56 1HG LYS 56 -0.281 13.923 3.363 374 2HG LYS 56 2HG LYS 56 -0.899 12.612 2.378 375 1HD LYS 56 1HD LYS 56 -0.605 13.851 0.505 376 2HD LYS 56 2HD LYS 56 -1.704 15.070 1.117 377 1HE LYS 56 1HE LYS 56 0.114 16.227 2.282 378 2HE LYS 56 2HE LYS 56 1.237 14.930 1.926 379 1HZ LYS 56 1HZ LYS 56 1.493 16.741 0.396 380 2HZ LYS 56 2HZ LYS 56 0.967 15.424 -0.414 381 3HZ LYS 56 3HZ LYS 56 -0.068 16.641 -0.076 382 H GLU 57 H GLU 57 -2.213 12.575 0.977 383 HA GLU 57 HA GLU 57 -4.677 12.038 -0.299 384 1HB GLU 57 1HB GLU 57 -1.919 12.726 -1.070 385 2HB GLU 57 2HB GLU 57 -2.643 11.574 -2.174 386 1HG GLU 57 1HG GLU 57 -4.424 13.831 -1.366 387 2HG GLU 57 2HG GLU 57 -3.024 14.298 -2.310 388 H GLY 58 H GLY 58 -1.551 10.190 -0.017 389 1HA GLY 58 1HA GLY 58 -1.651 7.944 -1.136 390 2HA GLY 58 2HA GLY 58 -1.543 7.906 0.613 391 H GLY 59 H GLY 59 -3.842 8.142 1.764 392 1HA GLY 59 1HA GLY 59 -6.115 7.611 1.754 393 2HA GLY 59 2HA GLY 59 -5.928 6.766 0.230 394 H LEU 60 H LEU 60 -3.240 5.873 2.004 395 HA LEU 60 HA LEU 60 -4.190 3.263 2.415 396 1HB LEU 60 1HB LEU 60 -1.790 4.287 2.057 397 2HB LEU 60 2HB LEU 60 -1.774 4.338 3.809 398 HG LEU 60 HG LEU 60 -2.004 1.966 3.982 399 1HD1 LEU 60 1HD1 LEU 60 -3.009 2.186 1.228 400 2HD1 LEU 60 2HD1 LEU 60 -1.915 0.808 1.503 401 3HD1 LEU 60 3HD1 LEU 60 -3.376 0.997 2.501 402 1HD2 LEU 60 1HD2 LEU 60 -0.038 1.210 2.463 403 2HD2 LEU 60 2HD2 LEU 60 0.050 2.930 2.010 404 3HD2 LEU 60 3HD2 LEU 60 0.246 2.446 3.712 405 H GLN 61 H GLN 61 -3.954 2.147 4.662 406 HA GLN 61 HA GLN 61 -4.663 3.883 6.828 407 1HB GLN 61 1HB GLN 61 -6.727 2.688 5.302 408 2HB GLN 61 2HB GLN 61 -6.609 1.701 6.745 409 1HG GLN 61 1HG GLN 61 -7.212 3.449 8.172 410 2HG GLN 61 2HG GLN 61 -6.534 4.684 7.129 411 1HE2 GLN 61 1HE2 GLN 61 -9.243 2.590 7.763 412 2HE2 GLN 61 2HE2 GLN 61 -10.406 3.360 6.736 413 H ILE 62 H ILE 62 -3.918 3.056 8.778 414 HA ILE 62 HA ILE 62 -2.096 1.038 8.823 415 HB ILE 62 HB ILE 62 -3.826 2.291 10.925 416 1HG1 ILE 62 1HG1 ILE 62 -1.846 3.439 9.746 417 2HG1 ILE 62 2HG1 ILE 62 -1.934 3.513 11.494 418 1HG2 ILE 62 1HG2 ILE 62 -3.521 0.602 12.331 419 2HG2 ILE 62 2HG2 ILE 62 -2.510 -0.269 11.153 420 3HG2 ILE 62 3HG2 ILE 62 -1.771 0.918 12.255 421 1HD1 ILE 62 1HD1 ILE 62 0.210 2.512 9.921 422 2HD1 ILE 62 2HD1 ILE 62 0.055 2.451 11.694 423 3HD1 ILE 62 3HD1 ILE 62 -0.527 1.092 10.702 424 H HIS 63 H HIS 63 -2.085 -1.180 9.047 425 HA HIS 63 HA HIS 63 -2.842 -3.242 9.210 426 1HB HIS 63 1HB HIS 63 -5.514 -2.125 10.099 427 2HB HIS 63 2HB HIS 63 -4.951 -3.774 10.282 428 HD1 HIS 63 HD1 HIS 63 -2.322 -3.652 11.617 429 HD2 HIS 63 HD2 HIS 63 -5.338 -0.875 12.505 430 HE1 HIS 63 HE1 HIS 63 -1.766 -2.706 13.920 431 H ASP 64 H ASP 64 -2.545 -2.477 6.752 432 HA ASP 64 HA ASP 64 -5.089 -3.049 5.446 433 1HB ASP 64 1HB ASP 64 -4.529 -1.588 3.715 434 2HB ASP 64 2HB ASP 64 -3.776 -0.778 5.075 435 H ARG 65 H ARG 65 -4.514 -4.007 3.051 436 HA ARG 65 HA ARG 65 -2.252 -5.802 3.342 437 1HB ARG 65 1HB ARG 65 -4.461 -6.957 3.906 438 2HB ARG 65 2HB ARG 65 -4.989 -6.643 2.264 439 1HG ARG 65 1HG ARG 65 -2.939 -7.898 1.431 440 2HG ARG 65 2HG ARG 65 -2.567 -8.309 3.093 441 1HD ARG 65 1HD ARG 65 -4.265 -9.868 3.236 442 2HD ARG 65 2HD ARG 65 -5.373 -8.908 2.275 443 HE ARG 65 HE ARG 65 -3.110 -10.030 0.760 444 1HH1 ARG 65 1HH1 ARG 65 -6.427 -10.501 1.834 445 2HH1 ARG 65 2HH1 ARG 65 -6.801 -11.649 0.591 446 1HH2 ARG 65 1HH2 ARG 65 -3.602 -11.543 -0.879 447 2HH2 ARG 65 2HH2 ARG 65 -5.184 -12.245 -0.962 448 H ILE 66 H ILE 66 -1.149 -4.329 1.843 449 HA ILE 66 HA ILE 66 -2.166 -3.434 -0.546 450 HB ILE 66 HB ILE 66 0.699 -4.235 -0.056 451 1HG1 ILE 66 1HG1 ILE 66 -0.924 -2.000 1.114 452 2HG1 ILE 66 2HG1 ILE 66 0.274 -3.027 1.875 453 1HG2 ILE 66 1HG2 ILE 66 -0.594 -2.118 -1.793 454 2HG2 ILE 66 2HG2 ILE 66 1.155 -2.259 -1.496 455 3HG2 ILE 66 3HG2 ILE 66 0.285 -3.570 -2.329 456 1HD1 ILE 66 1HD1 ILE 66 1.386 -0.945 1.621 457 2HD1 ILE 66 2HD1 ILE 66 1.994 -1.917 0.259 458 3HD1 ILE 66 3HD1 ILE 66 0.729 -0.695 -0.015 459 H ILE 67 H ILE 67 -2.625 -4.318 -2.511 460 HA ILE 67 HA ILE 67 -2.020 -7.174 -2.775 461 HB ILE 67 HB ILE 67 -4.010 -5.722 -4.468 462 1HG1 ILE 67 1HG1 ILE 67 -4.303 -5.171 -1.950 463 2HG1 ILE 67 2HG1 ILE 67 -5.689 -5.699 -2.882 464 1HG2 ILE 67 1HG2 ILE 67 -3.378 -8.518 -3.690 465 2HG2 ILE 67 2HG2 ILE 67 -5.098 -8.106 -3.896 466 3HG2 ILE 67 3HG2 ILE 67 -3.955 -7.850 -5.236 467 1HD1 ILE 67 1HD1 ILE 67 -5.689 -7.861 -1.924 468 2HD1 ILE 67 2HD1 ILE 67 -3.985 -7.741 -1.426 469 3HD1 ILE 67 3HD1 ILE 67 -5.234 -6.819 -0.555 470 H GLU 68 H GLU 68 -1.878 -3.968 -4.406 471 HA GLU 68 HA GLU 68 0.319 -5.004 -5.949 472 1HB GLU 68 1HB GLU 68 -2.291 -4.751 -7.086 473 2HB GLU 68 2HB GLU 68 -1.339 -3.434 -7.741 474 1HG GLU 68 1HG GLU 68 -0.521 -4.962 -9.219 475 2HG GLU 68 2HG GLU 68 0.454 -5.554 -7.889 476 H VAL 69 H VAL 69 1.712 -3.291 -6.801 477 HA VAL 69 HA VAL 69 1.005 -0.599 -5.923 478 HB VAL 69 HB VAL 69 2.524 -2.122 -4.320 479 1HG1 VAL 69 1HG1 VAL 69 4.537 -0.733 -6.120 480 2HG1 VAL 69 2HG1 VAL 69 4.889 -1.661 -4.642 481 3HG1 VAL 69 3HG1 VAL 69 4.237 -2.487 -6.077 482 1HG2 VAL 69 1HG2 VAL 69 3.704 0.457 -4.165 483 2HG2 VAL 69 2HG2 VAL 69 2.022 0.680 -4.703 484 3HG2 VAL 69 3HG2 VAL 69 2.364 -0.204 -3.197 485 H ASN 70 H ASN 70 1.138 0.664 -7.697 486 HA ASN 70 HA ASN 70 1.831 1.525 -9.562 487 1HB ASN 70 1HB ASN 70 4.177 1.126 -8.233 488 2HB ASN 70 2HB ASN 70 4.474 0.070 -9.599 489 1HD2 ASN 70 1HD2 ASN 70 4.326 3.266 -8.444 490 2HD2 ASN 70 2HD2 ASN 70 4.663 4.119 -9.913 491 H GLY 71 H GLY 71 0.925 -1.500 -9.187 492 1HA GLY 71 1HA GLY 71 0.047 -2.786 -10.943 493 2HA GLY 71 2HA GLY 71 1.323 -2.228 -12.006 494 H ARG 72 H ARG 72 2.782 -2.803 -9.024 495 HA ARG 72 HA ARG 72 3.760 -5.320 -10.017 496 1HB ARG 72 1HB ARG 72 4.925 -3.120 -8.650 497 2HB ARG 72 2HB ARG 72 4.925 -4.419 -7.474 498 1HG ARG 72 1HG ARG 72 5.842 -5.862 -9.534 499 2HG ARG 72 2HG ARG 72 6.307 -4.292 -10.159 500 1HD ARG 72 1HD ARG 72 7.290 -3.972 -7.674 501 2HD ARG 72 2HD ARG 72 7.303 -5.724 -7.694 502 HE ARG 72 HE ARG 72 9.012 -3.947 -9.278 503 1HH1 ARG 72 1HH1 ARG 72 7.661 -7.187 -9.034 504 2HH1 ARG 72 2HH1 ARG 72 8.899 -7.914 -10.002 505 1HH2 ARG 72 1HH2 ARG 72 10.646 -4.906 -10.556 506 2HH2 ARG 72 2HH2 ARG 72 10.608 -6.608 -10.874 507 H ASP 73 H ASP 73 3.106 -7.279 -9.159 508 HA ASP 73 HA ASP 73 1.142 -7.274 -7.154 509 1HB ASP 73 1HB ASP 73 2.632 -9.320 -8.774 510 2HB ASP 73 2HB ASP 73 1.881 -9.892 -7.297 511 H LEU 74 H LEU 74 1.493 -7.322 -4.924 512 HA LEU 74 HA LEU 74 4.072 -8.382 -4.010 513 1HB LEU 74 1HB LEU 74 2.695 -6.016 -2.756 514 2HB LEU 74 2HB LEU 74 4.302 -6.635 -2.431 515 HG LEU 74 HG LEU 74 3.398 -5.283 -4.988 516 1HD1 LEU 74 1HD1 LEU 74 4.933 -4.336 -2.582 517 2HD1 LEU 74 2HD1 LEU 74 5.188 -3.595 -4.180 518 3HD1 LEU 74 3HD1 LEU 74 3.572 -3.568 -3.434 519 1HD2 LEU 74 1HD2 LEU 74 5.064 -6.445 -5.929 520 2HD2 LEU 74 2HD2 LEU 74 6.134 -5.318 -5.060 521 3HD2 LEU 74 3HD2 LEU 74 5.762 -6.911 -4.359 522 H SER 75 H SER 75 0.894 -9.011 -4.251 523 HA SER 75 HA SER 75 -0.040 -9.321 -1.705 524 1HB SER 75 1HB SER 75 -1.387 -11.274 -2.785 525 2HB SER 75 2HB SER 75 -1.611 -9.657 -3.422 526 HG SER 75 HG SER 75 0.496 -10.948 -4.682 527 H ARG 76 H ARG 76 2.117 -11.416 -3.676 528 HA ARG 76 HA ARG 76 2.348 -13.144 -1.346 529 1HB ARG 76 1HB ARG 76 3.288 -14.833 -3.027 530 2HB ARG 76 2HB ARG 76 1.594 -14.441 -3.242 531 1HG ARG 76 1HG ARG 76 2.128 -12.867 -5.056 532 2HG ARG 76 2HG ARG 76 3.847 -13.064 -4.775 533 1HD ARG 76 1HD ARG 76 3.799 -15.377 -5.519 534 2HD ARG 76 2HD ARG 76 2.047 -15.415 -5.507 535 HE ARG 76 HE ARG 76 3.734 -14.369 -7.627 536 1HH1 ARG 76 1HH1 ARG 76 0.601 -13.970 -6.075 537 2HH1 ARG 76 2HH1 ARG 76 -0.149 -13.281 -7.476 538 1HH2 ARG 76 1HH2 ARG 76 2.746 -13.460 -9.476 539 2HH2 ARG 76 2HH2 ARG 76 1.080 -12.989 -9.424 540 H ALA 77 H ALA 77 3.728 -10.483 -2.063 541 HA ALA 77 HA ALA 77 6.474 -11.391 -2.438 542 1HB ALA 77 1HB ALA 77 5.194 -8.628 -2.372 543 2HB ALA 77 2HB ALA 77 6.920 -8.947 -2.669 544 3HB ALA 77 3HB ALA 77 5.695 -9.531 -3.821 545 H THR 78 H THR 78 8.065 -9.868 -1.003 546 HA THR 78 HA THR 78 7.074 -10.100 1.763 547 HB THR 78 HB THR 78 9.133 -11.086 2.361 548 HG1 THR 78 HG1 THR 78 10.798 -9.871 1.546 549 1HG2 THR 78 1HG2 THR 78 9.830 -12.712 0.629 550 2HG2 THR 78 2HG2 THR 78 8.053 -12.620 0.668 551 3HG2 THR 78 3HG2 THR 78 8.960 -11.786 -0.617 552 H HIS 79 H HIS 79 8.478 -8.708 3.313 553 HA HIS 79 HA HIS 79 7.988 -6.088 2.718 554 1HB HIS 79 1HB HIS 79 8.377 -7.028 4.970 555 2HB HIS 79 2HB HIS 79 10.081 -7.208 4.604 556 HD1 HIS 79 HD1 HIS 79 11.568 -5.087 4.665 557 HD2 HIS 79 HD2 HIS 79 7.507 -4.341 5.406 558 HE1 HIS 79 HE1 HIS 79 11.429 -2.695 5.543 559 H ASP 80 H ASP 80 10.980 -8.029 2.202 560 HA ASP 80 HA ASP 80 12.644 -5.989 1.505 561 1HB ASP 80 1HB ASP 80 12.544 -8.875 1.247 562 2HB ASP 80 2HB ASP 80 13.157 -8.208 -0.253 563 H GLN 81 H GLN 81 10.501 -8.068 -0.584 564 HA GLN 81 HA GLN 81 11.138 -6.730 -2.946 565 1HB GLN 81 1HB GLN 81 8.788 -8.491 -2.143 566 2HB GLN 81 2HB GLN 81 8.979 -7.868 -3.770 567 1HG GLN 81 1HG GLN 81 11.431 -8.878 -3.573 568 2HG GLN 81 2HG GLN 81 10.737 -9.835 -2.280 569 1HE2 GLN 81 1HE2 GLN 81 9.428 -11.508 -2.710 570 2HE2 GLN 81 2HE2 GLN 81 8.976 -12.049 -4.292 571 H ALA 82 H ALA 82 8.312 -6.483 -0.682 572 HA ALA 82 HA ALA 82 6.831 -4.633 -2.036 573 1HB ALA 82 1HB ALA 82 7.322 -4.938 0.953 574 2HB ALA 82 2HB ALA 82 5.991 -3.999 0.235 575 3HB ALA 82 3HB ALA 82 6.074 -5.760 -0.013 576 H VAL 83 H VAL 83 9.475 -4.000 0.377 577 HA VAL 83 HA VAL 83 9.411 -1.257 0.251 578 HB VAL 83 HB VAL 83 11.575 -3.277 0.776 579 1HG1 VAL 83 1HG1 VAL 83 13.069 -1.501 1.512 580 2HG1 VAL 83 2HG1 VAL 83 12.653 -1.272 -0.204 581 3HG1 VAL 83 3HG1 VAL 83 11.877 -0.266 1.042 582 1HG2 VAL 83 1HG2 VAL 83 11.222 -1.735 3.029 583 2HG2 VAL 83 2HG2 VAL 83 9.581 -1.784 2.341 584 3HG2 VAL 83 3HG2 VAL 83 10.435 -3.300 2.714 585 H GLU 84 H GLU 84 11.489 -3.523 -1.693 586 HA GLU 84 HA GLU 84 12.700 -1.638 -3.216 587 1HB GLU 84 1HB GLU 84 13.394 -3.958 -3.288 588 2HB GLU 84 2HB GLU 84 11.836 -4.476 -3.900 589 1HG GLU 84 1HG GLU 84 12.294 -3.797 -6.062 590 2HG GLU 84 2HG GLU 84 13.217 -2.399 -5.547 591 H ALA 85 H ALA 85 9.465 -3.161 -3.653 592 HA ALA 85 HA ALA 85 8.904 -2.182 -6.180 593 1HB ALA 85 1HB ALA 85 6.729 -2.894 -5.738 594 2HB ALA 85 2HB ALA 85 7.659 -3.846 -4.556 595 3HB ALA 85 3HB ALA 85 6.794 -2.380 -4.036 596 H PHE 86 H PHE 86 8.132 -0.749 -2.928 597 HA PHE 86 HA PHE 86 7.096 1.621 -4.046 598 1HB PHE 86 1HB PHE 86 8.168 0.677 -1.336 599 2HB PHE 86 2HB PHE 86 7.630 2.333 -1.533 600 HD1 PHE 86 HD1 PHE 86 5.213 2.644 -2.471 601 HD2 PHE 86 HD2 PHE 86 6.634 -0.958 -0.734 602 HE1 PHE 86 HE1 PHE 86 2.850 1.930 -2.019 603 HE2 PHE 86 HE2 PHE 86 4.270 -1.672 -0.282 604 HZ PHE 86 HZ PHE 86 2.407 -0.220 -0.930 605 H LYS 87 H LYS 87 10.350 0.477 -3.300 606 HA LYS 87 HA LYS 87 11.504 3.076 -3.124 607 1HB LYS 87 1HB LYS 87 12.274 0.513 -2.437 608 2HB LYS 87 2HB LYS 87 13.278 0.843 -3.835 609 1HG LYS 87 1HG LYS 87 13.633 3.204 -2.605 610 2HG LYS 87 2HG LYS 87 13.181 2.285 -1.184 611 1HD LYS 87 1HD LYS 87 15.007 0.588 -2.460 612 2HD LYS 87 2HD LYS 87 15.673 2.179 -2.774 613 1HE LYS 87 1HE LYS 87 14.743 1.924 0.010 614 2HE LYS 87 2HE LYS 87 15.931 0.699 -0.388 615 1HZ LYS 87 1HZ LYS 87 16.743 3.147 -1.451 616 2HZ LYS 87 2HZ LYS 87 16.385 3.360 0.128 617 3HZ LYS 87 3HZ LYS 87 17.483 2.236 -0.316 618 H THR 88 H THR 88 10.891 0.659 -5.693 619 HA THR 88 HA THR 88 12.188 2.456 -7.617 620 HB THR 88 HB THR 88 12.066 0.408 -9.086 621 HG1 THR 88 HG1 THR 88 10.236 -0.637 -8.183 622 1HG2 THR 88 1HG2 THR 88 13.293 -1.192 -7.282 623 2HG2 THR 88 2HG2 THR 88 14.119 0.224 -7.976 624 3HG2 THR 88 3HG2 THR 88 13.369 0.332 -6.365 625 H ALA 89 H ALA 89 9.233 2.132 -6.182 626 HA ALA 89 HA ALA 89 7.521 2.072 -8.422 627 1HB ALA 89 1HB ALA 89 7.273 2.957 -5.534 628 2HB ALA 89 2HB ALA 89 5.922 3.123 -6.682 629 3HB ALA 89 3HB ALA 89 6.590 1.513 -6.319 630 H LYS 90 H LYS 90 6.493 3.782 -9.554 631 HA LYS 90 HA LYS 90 7.861 6.361 -9.227 632 1HB LYS 90 1HB LYS 90 7.933 6.634 -11.506 633 2HB LYS 90 2HB LYS 90 8.153 4.900 -11.378 634 1HG LYS 90 1HG LYS 90 6.461 4.960 -12.974 635 2HG LYS 90 2HG LYS 90 5.488 4.852 -11.520 636 1HD LYS 90 1HD LYS 90 4.457 6.762 -12.187 637 2HD LYS 90 2HD LYS 90 5.936 7.611 -11.784 638 1HE LYS 90 1HE LYS 90 6.297 8.088 -13.971 639 2HE LYS 90 2HE LYS 90 6.311 6.382 -14.369 640 1HZ LYS 90 1HZ LYS 90 3.734 6.763 -14.092 641 2HZ LYS 90 2HZ LYS 90 4.148 8.273 -14.556 642 3HZ LYS 90 3HZ LYS 90 4.504 6.999 -15.513 643 H GLU 91 H GLU 91 6.574 8.300 -9.471 644 HA GLU 91 HA GLU 91 3.886 7.815 -8.546 645 1HB GLU 91 1HB GLU 91 5.264 10.510 -8.842 646 2HB GLU 91 2HB GLU 91 3.892 10.116 -7.826 647 1HG GLU 91 1HG GLU 91 5.442 9.861 -6.168 648 2HG GLU 91 2HG GLU 91 5.746 8.298 -6.898 649 HA PRO 92 HA PRO 92 2.180 8.817 -8.407 650 1HB PRO 92 1HB PRO 92 -0.363 8.122 -9.126 651 2HB PRO 92 2HB PRO 92 0.144 9.781 -8.881 652 1HG PRO 92 1HG PRO 92 -0.368 8.356 -11.419 653 2HG PRO 92 2HG PRO 92 -0.281 10.082 -11.128 654 1HD PRO 92 1HD PRO 92 1.736 8.443 -12.341 655 2HD PRO 92 2HD PRO 92 1.868 10.144 -11.944 656 H ILE 93 H ILE 93 1.994 7.116 -6.991 657 HA ILE 93 HA ILE 93 2.496 4.573 -8.317 658 HB ILE 93 HB ILE 93 2.702 5.362 -5.409 659 1HG1 ILE 93 1HG1 ILE 93 5.070 4.855 -7.177 660 2HG1 ILE 93 2HG1 ILE 93 4.272 6.413 -7.264 661 1HG2 ILE 93 1HG2 ILE 93 4.226 3.231 -5.496 662 2HG2 ILE 93 2HG2 ILE 93 2.463 3.077 -5.308 663 3HG2 ILE 93 3HG2 ILE 93 3.214 2.813 -6.900 664 1HD1 ILE 93 1HD1 ILE 93 6.228 5.985 -5.507 665 2HD1 ILE 93 2HD1 ILE 93 4.825 6.989 -5.068 666 3HD1 ILE 93 3HD1 ILE 93 4.907 5.292 -4.535 667 H VAL 94 H VAL 94 0.751 3.381 -8.855 668 HA VAL 94 HA VAL 94 -1.719 3.788 -7.424 669 HB VAL 94 HB VAL 94 -1.011 1.924 -9.698 670 1HG1 VAL 94 1HG1 VAL 94 -3.689 2.859 -8.614 671 2HG1 VAL 94 2HG1 VAL 94 -3.463 1.943 -10.123 672 3HG1 VAL 94 3HG1 VAL 94 -3.029 1.207 -8.562 673 1HG2 VAL 94 1HG2 VAL 94 -2.626 4.130 -10.532 674 2HG2 VAL 94 2HG2 VAL 94 -1.216 4.773 -9.657 675 3HG2 VAL 94 3HG2 VAL 94 -0.981 3.694 -11.053 676 H VAL 95 H VAL 95 -2.025 2.808 -5.493 677 HA VAL 95 HA VAL 95 -0.923 0.097 -5.213 678 HB VAL 95 HB VAL 95 -1.584 1.736 -2.827 679 1HG1 VAL 95 1HG1 VAL 95 0.280 -0.459 -3.605 680 2HG1 VAL 95 2HG1 VAL 95 0.813 0.651 -2.320 681 3HG1 VAL 95 3HG1 VAL 95 -0.708 -0.257 -2.139 682 1HG2 VAL 95 1HG2 VAL 95 0.652 2.390 -4.742 683 2HG2 VAL 95 2HG2 VAL 95 -0.477 3.485 -3.909 684 3HG2 VAL 95 3HG2 VAL 95 0.826 2.687 -2.996 685 H GLN 96 H GLN 96 -2.249 -1.461 -4.067 686 HA GLN 96 HA GLN 96 -5.019 -0.623 -3.798 687 1HB GLN 96 1HB GLN 96 -5.026 -1.694 -5.938 688 2HB GLN 96 2HB GLN 96 -3.962 -2.978 -5.398 689 1HG GLN 96 1HG GLN 96 -5.709 -4.225 -4.653 690 2HG GLN 96 2HG GLN 96 -6.342 -2.890 -3.711 691 1HE2 GLN 96 1HE2 GLN 96 -6.170 -4.292 -6.944 692 2HE2 GLN 96 2HE2 GLN 96 -7.662 -3.659 -7.554 693 H VAL 97 H VAL 97 -6.113 -1.550 -2.037 694 HA VAL 97 HA VAL 97 -4.629 -3.601 -0.557 695 HB VAL 97 HB VAL 97 -5.233 -2.449 1.527 696 1HG1 VAL 97 1HG1 VAL 97 -3.502 -1.062 -0.514 697 2HG1 VAL 97 2HG1 VAL 97 -3.690 -0.394 1.125 698 3HG1 VAL 97 3HG1 VAL 97 -3.026 -2.030 0.902 699 1HG2 VAL 97 1HG2 VAL 97 -6.839 -0.842 -0.249 700 2HG2 VAL 97 2HG2 VAL 97 -6.817 -0.879 1.531 701 3HG2 VAL 97 3HG2 VAL 97 -5.707 0.198 0.649 702 H LEU 98 H LEU 98 -6.102 -4.731 1.076 703 HA LEU 98 HA LEU 98 -8.745 -5.003 -0.167 704 1HB LEU 98 1HB LEU 98 -6.739 -6.889 0.773 705 2HB LEU 98 2HB LEU 98 -8.309 -7.192 1.489 706 HG LEU 98 HG LEU 98 -9.325 -7.613 -0.588 707 1HD1 LEU 98 1HD1 LEU 98 -7.271 -5.819 -1.621 708 2HD1 LEU 98 2HD1 LEU 98 -7.501 -7.258 -2.643 709 3HD1 LEU 98 3HD1 LEU 98 -8.886 -6.208 -2.260 710 1HD2 LEU 98 1HD2 LEU 98 -6.737 -8.891 -0.053 711 2HD2 LEU 98 2HD2 LEU 98 -8.329 -9.607 -0.404 712 3HD2 LEU 98 3HD2 LEU 98 -7.290 -9.050 -1.738 713 H ARG 99 H ARG 99 -10.171 -3.708 0.893 714 HA ARG 99 HA ARG 99 -9.883 -3.584 3.775 715 1HB ARG 99 1HB ARG 99 -10.541 -1.645 1.750 716 2HB ARG 99 2HB ARG 99 -11.965 -1.833 2.754 717 1HG ARG 99 1HG ARG 99 -10.486 -1.515 4.801 718 2HG ARG 99 2HG ARG 99 -9.145 -1.174 3.726 719 1HD ARG 99 1HD ARG 99 -11.443 0.439 2.942 720 2HD ARG 99 2HD ARG 99 -11.142 0.652 4.655 721 HE ARG 99 HE ARG 99 -8.609 0.838 3.554 722 1HH1 ARG 99 1HH1 ARG 99 -11.665 2.462 2.915 723 2HH1 ARG 99 2HH1 ARG 99 -10.919 3.930 2.376 724 1HH2 ARG 99 1HH2 ARG 99 -7.624 2.774 2.843 725 2HH2 ARG 99 2HH2 ARG 99 -8.605 4.108 2.334 726 H ARG 100 H ARG 100 -11.608 -4.216 5.166 727 HA ARG 100 HA ARG 100 -13.165 -6.261 4.409 728 1HB ARG 100 1HB ARG 100 -14.405 -5.920 6.484 729 2HB ARG 100 2HB ARG 100 -12.741 -5.452 6.773 730 1HG ARG 100 1HG ARG 100 -14.131 -3.130 5.780 731 2HG ARG 100 2HG ARG 100 -15.129 -3.843 7.031 732 1HD ARG 100 1HD ARG 100 -13.729 -3.095 8.657 733 2HD ARG 100 2HD ARG 100 -12.357 -3.886 7.906 734 HE ARG 100 HE ARG 100 -12.697 -1.679 6.300 735 1HH1 ARG 100 1HH1 ARG 100 -12.448 -2.071 9.788 736 2HH1 ARG 100 2HH1 ARG 100 -11.742 -0.510 10.042 737 1HH2 ARG 100 1HH2 ARG 100 -11.765 0.380 6.634 738 2HH2 ARG 100 2HH2 ARG 100 -11.350 0.894 8.235 739 H THR 101 H THR 101 -15.718 -6.298 4.458 740 HA THR 101 HA THR 101 -16.660 -4.884 2.256 741 HB THR 101 HB THR 101 -18.845 -5.847 2.978 742 HG1 THR 101 HG1 THR 101 -18.801 -6.829 5.156 743 1HG2 THR 101 1HG2 THR 101 -17.446 -8.134 3.987 744 2HG2 THR 101 2HG2 THR 101 -18.039 -7.883 2.328 745 3HG2 THR 101 3HG2 THR 101 -16.385 -7.392 2.765 746 H SER 102 H SER 102 -18.882 -3.580 2.490 747 HA SER 102 HA SER 102 -18.061 -1.239 3.929 748 1HB SER 102 1HB SER 102 -20.173 -1.867 1.858 749 2HB SER 102 2HB SER 102 -20.306 -0.391 2.793 750 HG SER 102 HG SER 102 -17.880 -1.116 1.400 751 H GLY 103 H GLY 103 -19.103 -0.377 5.754 752 1HA GLY 103 1HA GLY 103 -21.523 -1.778 6.694 753 2HA GLY 103 2HA GLY 103 -20.135 -1.588 7.747 754 HA PRO 104 HA PRO 104 -22.806 2.201 7.848 755 1HB PRO 104 1HB PRO 104 -24.233 1.794 10.143 756 2HB PRO 104 2HB PRO 104 -24.870 1.457 8.546 757 1HG PRO 104 1HG PRO 104 -23.912 -0.443 10.598 758 2HG PRO 104 2HG PRO 104 -24.926 -0.753 9.203 759 1HD PRO 104 1HD PRO 104 -22.137 -1.368 9.468 760 2HD PRO 104 2HD PRO 104 -23.124 -1.572 8.034 761 H SER 105 H SER 105 -20.814 3.253 8.073 762 HA SER 105 HA SER 105 -20.522 4.456 10.513 763 1HB SER 105 1HB SER 105 -18.285 3.398 11.209 764 2HB SER 105 2HB SER 105 -19.730 2.464 11.544 765 HG SER 105 HG SER 105 -17.786 1.373 10.455 766 H SER 106 H SER 106 -18.669 5.987 10.501 767 HA SER 106 HA SER 106 -18.012 6.676 7.827 768 1HB SER 106 1HB SER 106 -17.143 8.704 8.753 769 2HB SER 106 2HB SER 106 -18.552 8.307 9.716 770 HG SER 106 HG SER 106 -17.323 7.999 11.460 771 H GLY 107 H GLY 107 -16.098 6.269 6.734 772 1HA GLY 107 1HA GLY 107 -13.904 5.062 8.314 773 2HA GLY 107 2HA GLY 107 -14.380 4.505 6.722 Start of MODEL 19 1 1H GLY 1 1H GLY 1 -3.353 -21.728 -1.963 2 1HA GLY 1 1HA GLY 1 -5.701 -20.559 -1.477 3 2HA GLY 1 2HA GLY 1 -5.574 -22.187 -2.115 4 H SER 2 H SER 2 -5.735 -20.290 0.954 5 HA SER 2 HA SER 2 -6.850 -22.688 2.185 6 1HB SER 2 1HB SER 2 -4.992 -20.569 3.176 7 2HB SER 2 2HB SER 2 -6.218 -21.086 4.317 8 HG SER 2 HG SER 2 -3.925 -22.365 3.600 9 H SER 3 H SER 3 -9.067 -22.532 2.214 10 HA SER 3 HA SER 3 -11.070 -21.745 2.477 11 1HB SER 3 1HB SER 3 -9.538 -20.502 4.563 12 2HB SER 3 2HB SER 3 -10.679 -19.307 3.981 13 HG SER 3 HG SER 3 -11.145 -21.484 5.563 14 H GLY 4 H GLY 4 -12.612 -20.003 1.772 15 1HA GLY 4 1HA GLY 4 -11.307 -18.192 -0.167 16 2HA GLY 4 2HA GLY 4 -12.885 -18.927 -0.366 17 H SER 5 H SER 5 -11.375 -16.059 0.365 18 HA SER 5 HA SER 5 -13.637 -15.228 2.011 19 1HB SER 5 1HB SER 5 -11.374 -15.203 3.174 20 2HB SER 5 2HB SER 5 -10.849 -13.994 2.019 21 HG SER 5 HG SER 5 -11.597 -12.729 3.641 22 H SER 6 H SER 6 -14.936 -13.687 1.065 23 HA SER 6 HA SER 6 -13.882 -12.460 -1.346 24 1HB SER 6 1HB SER 6 -16.652 -13.117 -0.341 25 2HB SER 6 2HB SER 6 -16.468 -11.818 -1.503 26 HG SER 6 HG SER 6 -16.222 -14.587 -1.857 27 H GLY 7 H GLY 7 -12.772 -10.607 -0.676 28 1HA GLY 7 1HA GLY 7 -14.174 -8.805 1.193 29 2HA GLY 7 2HA GLY 7 -12.447 -8.854 0.902 30 H LYS 8 H LYS 8 -12.570 -6.512 0.474 31 HA LYS 8 HA LYS 8 -13.507 -6.013 -2.263 32 1HB LYS 8 1HB LYS 8 -14.363 -4.749 0.203 33 2HB LYS 8 2HB LYS 8 -13.625 -3.573 -0.865 34 1HG LYS 8 1HG LYS 8 -15.679 -3.512 -1.870 35 2HG LYS 8 2HG LYS 8 -15.150 -4.978 -2.671 36 1HD LYS 8 1HD LYS 8 -16.223 -6.372 -0.945 37 2HD LYS 8 2HD LYS 8 -16.635 -4.953 -0.003 38 1HE LYS 8 1HE LYS 8 -17.617 -5.344 -2.864 39 2HE LYS 8 2HE LYS 8 -18.510 -5.942 -1.480 40 1HZ LYS 8 1HZ LYS 8 -17.965 -3.188 -2.236 41 2HZ LYS 8 2HZ LYS 8 -19.372 -3.870 -1.764 42 3HZ LYS 8 3HZ LYS 8 -18.216 -3.536 -0.660 43 H SER 9 H SER 9 -12.250 -4.411 -3.452 44 HA SER 9 HA SER 9 -9.628 -4.004 -2.244 45 1HB SER 9 1HB SER 9 -8.517 -4.612 -4.241 46 2HB SER 9 2HB SER 9 -9.771 -5.824 -4.079 47 HG SER 9 HG SER 9 -10.964 -3.911 -5.445 48 H LEU 10 H LEU 10 -8.887 -1.888 -2.335 49 HA LEU 10 HA LEU 10 -10.363 -0.083 -4.122 50 1HB LEU 10 1HB LEU 10 -9.243 1.013 -1.618 51 2HB LEU 10 2HB LEU 10 -10.705 1.433 -2.489 52 HG LEU 10 HG LEU 10 -11.422 0.552 -0.433 53 1HD1 LEU 10 1HD1 LEU 10 -12.017 -0.808 -2.852 54 2HD1 LEU 10 2HD1 LEU 10 -11.940 -2.027 -1.557 55 3HD1 LEU 10 3HD1 LEU 10 -13.029 -0.628 -1.399 56 1HD2 LEU 10 1HD2 LEU 10 -9.034 -1.029 -0.595 57 2HD2 LEU 10 2HD2 LEU 10 -10.084 -0.708 0.806 58 3HD2 LEU 10 3HD2 LEU 10 -10.424 -2.090 -0.263 59 H THR 11 H THR 11 -9.120 1.776 -4.910 60 HA THR 11 HA THR 11 -6.254 1.114 -5.031 61 HB THR 11 HB THR 11 -7.672 2.927 -6.996 62 HG1 THR 11 HG1 THR 11 -9.020 1.207 -7.359 63 1HG2 THR 11 1HG2 THR 11 -5.263 2.455 -7.348 64 2HG2 THR 11 2HG2 THR 11 -5.571 0.707 -7.214 65 3HG2 THR 11 3HG2 THR 11 -6.220 1.623 -8.596 66 H LEU 12 H LEU 12 -4.688 2.636 -4.590 67 HA LEU 12 HA LEU 12 -5.618 5.299 -3.869 68 1HB LEU 12 1HB LEU 12 -3.742 4.524 -1.892 69 2HB LEU 12 2HB LEU 12 -5.403 5.048 -1.697 70 HG LEU 12 HG LEU 12 -5.854 2.476 -2.362 71 1HD1 LEU 12 1HD1 LEU 12 -3.054 2.535 -2.015 72 2HD1 LEU 12 2HD1 LEU 12 -3.727 1.713 -0.586 73 3HD1 LEU 12 3HD1 LEU 12 -4.110 1.116 -2.218 74 1HD2 LEU 12 1HD2 LEU 12 -6.876 2.690 -0.407 75 2HD2 LEU 12 2HD2 LEU 12 -5.325 2.386 0.412 76 3HD2 LEU 12 3HD2 LEU 12 -5.822 4.054 0.038 77 H VAL 13 H VAL 13 -3.959 6.912 -4.009 78 HA VAL 13 HA VAL 13 -1.691 5.975 -5.607 79 HB VAL 13 HB VAL 13 -3.513 7.820 -6.227 80 1HG1 VAL 13 1HG1 VAL 13 -3.068 9.281 -4.333 81 2HG1 VAL 13 2HG1 VAL 13 -1.348 9.383 -4.779 82 3HG1 VAL 13 3HG1 VAL 13 -2.588 10.088 -5.845 83 1HG2 VAL 13 1HG2 VAL 13 -2.074 8.533 -7.941 84 2HG2 VAL 13 2HG2 VAL 13 -0.624 8.358 -6.924 85 3HG2 VAL 13 3HG2 VAL 13 -1.474 6.912 -7.517 86 H LEU 14 H LEU 14 0.214 5.741 -4.568 87 HA LEU 14 HA LEU 14 0.582 7.297 -2.114 88 1HB LEU 14 1HB LEU 14 1.728 4.689 -3.089 89 2HB LEU 14 2HB LEU 14 2.437 5.578 -1.756 90 HG LEU 14 HG LEU 14 -0.348 4.395 -1.885 91 1HD1 LEU 14 1HD1 LEU 14 0.356 2.820 -0.313 92 2HD1 LEU 14 2HD1 LEU 14 1.723 2.931 -1.449 93 3HD1 LEU 14 3HD1 LEU 14 1.805 3.758 0.125 94 1HD2 LEU 14 1HD2 LEU 14 0.846 6.391 0.000 95 2HD2 LEU 14 2HD2 LEU 14 -0.807 6.272 -0.650 96 3HD2 LEU 14 3HD2 LEU 14 -0.273 5.159 0.633 97 H HIS 15 H HIS 15 2.709 8.276 -1.717 98 HA HIS 15 HA HIS 15 4.309 8.640 -4.113 99 1HB HIS 15 1HB HIS 15 3.279 10.992 -2.507 100 2HB HIS 15 2HB HIS 15 4.312 11.054 -3.922 101 HD1 HIS 15 HD1 HIS 15 2.952 9.454 -6.020 102 HD2 HIS 15 HD2 HIS 15 0.780 11.749 -3.262 103 HE1 HIS 15 HE1 HIS 15 0.677 9.892 -7.089 104 H ARG 16 H ARG 16 6.430 9.803 -3.538 105 HA ARG 16 HA ARG 16 7.086 9.241 -0.762 106 1HB ARG 16 1HB ARG 16 9.408 8.537 -1.673 107 2HB ARG 16 2HB ARG 16 8.093 7.407 -1.924 108 1HG ARG 16 1HG ARG 16 8.338 7.537 -4.175 109 2HG ARG 16 2HG ARG 16 8.134 9.277 -4.139 110 1HD ARG 16 1HD ARG 16 10.755 8.741 -3.098 111 2HD ARG 16 2HD ARG 16 10.573 7.747 -4.529 112 HE ARG 16 HE ARG 16 9.595 10.414 -5.049 113 1HH1 ARG 16 1HH1 ARG 16 12.577 8.587 -4.665 114 2HH1 ARG 16 2HH1 ARG 16 13.513 9.662 -5.649 115 1HH2 ARG 16 1HH2 ARG 16 10.829 11.834 -6.347 116 2HH2 ARG 16 2HH2 ARG 16 12.512 11.522 -6.612 117 H ASP 17 H ASP 17 7.435 11.288 0.079 118 HA ASP 17 HA ASP 17 8.027 13.505 -1.362 119 1HB ASP 17 1HB ASP 17 7.363 13.929 0.842 120 2HB ASP 17 2HB ASP 17 8.387 12.672 1.507 121 H SER 18 H SER 18 10.294 11.453 0.635 122 HA SER 18 HA SER 18 12.390 12.157 -1.242 123 1HB SER 18 1HB SER 18 12.487 12.484 1.777 124 2HB SER 18 2HB SER 18 13.953 12.292 0.837 125 HG SER 18 HG SER 18 11.958 14.362 0.467 126 H GLY 19 H GLY 19 12.173 9.999 -2.098 127 1HA GLY 19 1HA GLY 19 12.331 7.738 -2.119 128 2HA GLY 19 2HA GLY 19 13.825 8.057 -1.261 129 H SER 20 H SER 20 10.481 8.665 -0.050 130 HA SER 20 HA SER 20 10.638 6.327 1.600 131 1HB SER 20 1HB SER 20 10.461 9.103 2.853 132 2HB SER 20 2HB SER 20 10.322 7.587 3.720 133 HG SER 20 HG SER 20 12.615 8.873 2.678 134 H LEU 21 H LEU 21 8.611 5.439 1.483 135 HA LEU 21 HA LEU 21 6.450 6.946 0.445 136 1HB LEU 21 1HB LEU 21 6.999 4.165 1.262 137 2HB LEU 21 2HB LEU 21 5.328 4.669 1.419 138 HG LEU 21 HG LEU 21 6.107 3.545 -0.772 139 1HD1 LEU 21 1HD1 LEU 21 4.135 5.535 -0.192 140 2HD1 LEU 21 2HD1 LEU 21 4.729 5.779 -1.852 141 3HD1 LEU 21 3HD1 LEU 21 4.074 4.197 -1.365 142 1HD2 LEU 21 1HD2 LEU 21 7.683 4.514 -1.990 143 2HD2 LEU 21 2HD2 LEU 21 6.691 5.985 -2.133 144 3HD2 LEU 21 3HD2 LEU 21 7.830 5.808 -0.777 145 H GLY 22 H GLY 22 7.901 6.892 3.497 146 1HA GLY 22 1HA GLY 22 7.247 8.095 5.328 147 2HA GLY 22 2HA GLY 22 5.638 8.278 4.657 148 H PHE 23 H PHE 23 4.633 5.794 4.257 149 HA PHE 23 HA PHE 23 4.235 4.888 6.925 150 1HB PHE 23 1HB PHE 23 2.487 3.635 5.867 151 2HB PHE 23 2HB PHE 23 2.662 5.005 4.787 152 HD1 PHE 23 HD1 PHE 23 1.744 1.941 4.441 153 HD2 PHE 23 HD2 PHE 23 5.155 4.214 3.343 154 HE1 PHE 23 HE1 PHE 23 2.170 0.376 2.525 155 HE2 PHE 23 HE2 PHE 23 5.581 2.649 1.427 156 HZ PHE 23 HZ PHE 23 4.083 0.749 1.041 157 H ASN 24 H ASN 24 4.053 2.229 7.015 158 HA ASN 24 HA ASN 24 6.576 1.222 5.984 159 1HB ASN 24 1HB ASN 24 6.039 1.814 8.728 160 2HB ASN 24 2HB ASN 24 5.930 0.070 8.603 161 1HD2 ASN 24 1HD2 ASN 24 7.767 -0.523 9.565 162 2HD2 ASN 24 2HD2 ASN 24 9.366 -0.135 9.023 163 H ILE 25 H ILE 25 6.589 -1.284 6.088 164 HA ILE 25 HA ILE 25 3.856 -2.348 6.102 165 HB ILE 25 HB ILE 25 4.810 -3.854 4.198 166 1HG1 ILE 25 1HG1 ILE 25 6.399 -1.358 3.601 167 2HG1 ILE 25 2HG1 ILE 25 7.108 -2.707 4.466 168 1HG2 ILE 25 1HG2 ILE 25 4.063 -2.011 2.535 169 2HG2 ILE 25 2HG2 ILE 25 2.896 -2.633 3.726 170 3HG2 ILE 25 3HG2 ILE 25 3.698 -1.068 3.999 171 1HD1 ILE 25 1HD1 ILE 25 6.233 -2.528 1.605 172 2HD1 ILE 25 2HD1 ILE 25 7.623 -3.382 2.318 173 3HD1 ILE 25 3HD1 ILE 25 5.994 -4.092 2.420 174 H ILE 26 H ILE 26 3.801 -4.749 6.439 175 HA ILE 26 HA ILE 26 6.174 -5.635 7.921 176 HB ILE 26 HB ILE 26 4.892 -6.466 9.672 177 1HG1 ILE 26 1HG1 ILE 26 2.334 -5.886 8.155 178 2HG1 ILE 26 2HG1 ILE 26 3.116 -7.454 8.180 179 1HG2 ILE 26 1HG2 ILE 26 4.165 -4.549 10.666 180 2HG2 ILE 26 2HG2 ILE 26 5.033 -3.843 9.281 181 3HG2 ILE 26 3HG2 ILE 26 3.261 -4.008 9.231 182 1HD1 ILE 26 1HD1 ILE 26 2.738 -7.758 10.504 183 2HD1 ILE 26 2HD1 ILE 26 2.466 -6.020 10.776 184 3HD1 ILE 26 3HD1 ILE 26 1.238 -6.992 9.930 185 H GLY 27 H GLY 27 6.158 -8.113 8.187 186 1HA GLY 27 1HA GLY 27 5.160 -10.152 7.257 187 2HA GLY 27 2HA GLY 27 5.060 -9.321 5.718 188 H GLY 28 H GLY 28 6.363 -11.170 4.879 189 1HA GLY 28 1HA GLY 28 8.294 -12.085 4.187 190 2HA GLY 28 2HA GLY 28 9.019 -10.512 4.450 191 H ARG 29 H ARG 29 10.513 -12.857 4.864 192 HA ARG 29 HA ARG 29 10.815 -12.710 7.748 193 1HB ARG 29 1HB ARG 29 9.946 -15.004 6.335 194 2HB ARG 29 2HB ARG 29 11.645 -15.310 6.638 195 1HG ARG 29 1HG ARG 29 10.689 -14.241 9.074 196 2HG ARG 29 2HG ARG 29 9.395 -15.290 8.528 197 1HD ARG 29 1HD ARG 29 11.626 -16.862 8.015 198 2HD ARG 29 2HD ARG 29 12.137 -15.995 9.449 199 HE ARG 29 HE ARG 29 10.207 -18.108 9.375 200 1HH1 ARG 29 1HH1 ARG 29 10.716 -14.971 10.888 201 2HH1 ARG 29 2HH1 ARG 29 9.766 -15.349 12.286 202 1HH2 ARG 29 1HH2 ARG 29 8.954 -18.606 11.220 203 2HH2 ARG 29 2HH2 ARG 29 8.757 -17.431 12.476 204 HA PRO 30 HA PRO 30 14.913 -11.895 6.412 205 1HB PRO 30 1HB PRO 30 16.079 -11.578 8.864 206 2HB PRO 30 2HB PRO 30 15.209 -10.297 8.043 207 1HG PRO 30 1HG PRO 30 14.349 -11.941 10.344 208 2HG PRO 30 2HG PRO 30 13.705 -10.409 9.787 209 1HD PRO 30 1HD PRO 30 12.539 -13.002 9.405 210 2HD PRO 30 2HD PRO 30 11.957 -11.485 8.750 211 H SER 31 H SER 31 14.567 -14.289 5.689 212 HA SER 31 HA SER 31 16.827 -15.624 6.913 213 1HB SER 31 1HB SER 31 14.677 -16.501 7.938 214 2HB SER 31 2HB SER 31 14.187 -17.039 6.343 215 HG SER 31 HG SER 31 16.179 -18.080 8.076 216 H VAL 32 H VAL 32 18.000 -16.976 5.433 217 HA VAL 32 HA VAL 32 16.956 -16.971 2.690 218 HB VAL 32 HB VAL 32 18.544 -15.212 2.762 219 1HG1 VAL 32 1HG1 VAL 32 19.785 -15.408 4.708 220 2HG1 VAL 32 2HG1 VAL 32 20.169 -17.122 4.420 221 3HG1 VAL 32 3HG1 VAL 32 20.987 -15.856 3.474 222 1HG2 VAL 32 1HG2 VAL 32 19.533 -15.846 0.859 223 2HG2 VAL 32 2HG2 VAL 32 20.502 -17.086 1.690 224 3HG2 VAL 32 3HG2 VAL 32 18.852 -17.465 1.144 225 H ASP 33 H ASP 33 16.284 -19.121 4.006 226 HA ASP 33 HA ASP 33 18.386 -20.989 4.263 227 1HB ASP 33 1HB ASP 33 15.391 -20.988 4.498 228 2HB ASP 33 2HB ASP 33 16.145 -22.541 4.198 229 H ASN 34 H ASN 34 15.401 -20.857 2.159 230 HA ASN 34 HA ASN 34 16.845 -21.373 -0.174 231 1HB ASN 34 1HB ASN 34 16.845 -23.685 1.001 232 2HB ASN 34 2HB ASN 34 15.109 -23.710 0.764 233 1HD2 ASN 34 1HD2 ASN 34 15.297 -25.536 -0.539 234 2HD2 ASN 34 2HD2 ASN 34 15.834 -25.463 -2.184 235 H HIS 35 H HIS 35 13.687 -22.280 1.423 236 HA HIS 35 HA HIS 35 12.213 -20.268 0.234 237 1HB HIS 35 1HB HIS 35 12.751 -22.475 -1.547 238 2HB HIS 35 2HB HIS 35 11.035 -22.407 -1.198 239 HD1 HIS 35 HD1 HIS 35 9.992 -19.803 -1.490 240 HD2 HIS 35 HD2 HIS 35 13.493 -20.804 -3.572 241 HE1 HIS 35 HE1 HIS 35 10.211 -18.102 -3.379 242 H ASP 36 H ASP 36 9.748 -20.770 0.468 243 HA ASP 36 HA ASP 36 8.072 -21.461 1.664 244 1HB ASP 36 1HB ASP 36 9.462 -23.813 1.265 245 2HB ASP 36 2HB ASP 36 9.436 -23.748 3.016 246 H GLY 37 H GLY 37 7.314 -21.417 3.980 247 1HA GLY 37 1HA GLY 37 9.316 -21.147 6.058 248 2HA GLY 37 2HA GLY 37 8.499 -19.658 5.626 249 H SER 38 H SER 38 6.739 -19.184 6.857 250 HA SER 38 HA SER 38 4.794 -21.181 7.333 251 1HB SER 38 1HB SER 38 6.839 -21.011 9.259 252 2HB SER 38 2HB SER 38 5.529 -20.080 9.958 253 HG SER 38 HG SER 38 5.293 -22.279 10.561 254 H SER 39 H SER 39 5.992 -18.147 8.965 255 HA SER 39 HA SER 39 3.489 -16.916 8.120 256 1HB SER 39 1HB SER 39 4.004 -17.569 10.723 257 2HB SER 39 2HB SER 39 4.725 -15.973 10.676 258 HG SER 39 HG SER 39 2.653 -15.187 9.773 259 H SER 40 H SER 40 4.740 -16.054 6.289 260 HA SER 40 HA SER 40 5.677 -13.520 6.735 261 1HB SER 40 1HB SER 40 8.155 -14.001 6.024 262 2HB SER 40 2HB SER 40 7.702 -14.178 7.707 263 HG SER 40 HG SER 40 7.206 -16.556 6.857 264 H GLU 41 H GLU 41 4.623 -12.879 4.863 265 HA GLU 41 HA GLU 41 5.811 -13.170 2.440 266 1HB GLU 41 1HB GLU 41 4.655 -15.611 3.038 267 2HB GLU 41 2HB GLU 41 3.375 -14.840 2.123 268 1HG GLU 41 1HG GLU 41 4.782 -14.527 0.199 269 2HG GLU 41 2HG GLU 41 6.244 -14.836 1.113 270 H GLY 42 H GLY 42 2.839 -12.814 4.365 271 1HA GLY 42 1HA GLY 42 1.448 -11.291 2.346 272 2HA GLY 42 2HA GLY 42 0.946 -11.602 3.996 273 H ILE 43 H ILE 43 1.697 -9.139 1.961 274 HA ILE 43 HA ILE 43 3.273 -7.614 3.873 275 HB ILE 43 HB ILE 43 2.315 -6.835 1.119 276 1HG1 ILE 43 1HG1 ILE 43 3.620 -8.758 0.740 277 2HG1 ILE 43 2HG1 ILE 43 4.692 -7.403 0.447 278 1HG2 ILE 43 1HG2 ILE 43 4.566 -5.434 1.500 279 2HG2 ILE 43 2HG2 ILE 43 2.957 -4.835 1.968 280 3HG2 ILE 43 3HG2 ILE 43 4.026 -5.564 3.191 281 1HD1 ILE 43 1HD1 ILE 43 6.036 -8.761 1.799 282 2HD1 ILE 43 2HD1 ILE 43 5.303 -7.690 3.017 283 3HD1 ILE 43 3HD1 ILE 43 4.659 -9.331 2.772 284 H PHE 44 H PHE 44 2.422 -6.109 5.232 285 HA PHE 44 HA PHE 44 -0.241 -5.101 4.627 286 1HB PHE 44 1HB PHE 44 0.741 -6.536 7.161 287 2HB PHE 44 2HB PHE 44 -0.709 -5.551 7.163 288 HD1 PHE 44 HD1 PHE 44 -2.746 -6.552 6.708 289 HD2 PHE 44 HD2 PHE 44 0.804 -8.435 5.344 290 HE1 PHE 44 HE1 PHE 44 -4.090 -8.528 5.940 291 HE2 PHE 44 HE2 PHE 44 -0.540 -10.411 4.575 292 HZ PHE 44 HZ PHE 44 -2.971 -10.434 4.882 293 H VAL 45 H VAL 45 -0.806 -3.175 5.984 294 HA VAL 45 HA VAL 45 1.646 -1.703 6.599 295 HB VAL 45 HB VAL 45 -1.182 -0.784 6.042 296 1HG1 VAL 45 1HG1 VAL 45 -0.437 0.975 7.298 297 2HG1 VAL 45 2HG1 VAL 45 1.277 0.650 6.946 298 3HG1 VAL 45 3HG1 VAL 45 0.254 1.447 5.728 299 1HG2 VAL 45 1HG2 VAL 45 -0.577 -0.343 3.867 300 2HG2 VAL 45 2HG2 VAL 45 1.150 -0.172 4.263 301 3HG2 VAL 45 3HG2 VAL 45 0.413 -1.790 4.179 302 H SER 46 H SER 46 2.231 -1.485 8.690 303 HA SER 46 HA SER 46 0.081 -1.744 10.644 304 1HB SER 46 1HB SER 46 1.900 -3.539 10.615 305 2HB SER 46 2HB SER 46 3.044 -2.301 11.094 306 HG SER 46 HG SER 46 0.975 -2.072 12.789 307 H LYS 47 H LYS 47 2.098 0.447 9.094 308 HA LYS 47 HA LYS 47 1.808 2.329 11.295 309 1HB LYS 47 1HB LYS 47 4.149 1.176 11.244 310 2HB LYS 47 2HB LYS 47 4.444 2.191 9.847 311 1HG LYS 47 1HG LYS 47 3.215 3.697 12.066 312 2HG LYS 47 2HG LYS 47 4.728 2.949 12.538 313 1HD LYS 47 1HD LYS 47 5.989 4.176 10.988 314 2HD LYS 47 2HD LYS 47 4.644 4.374 9.883 315 1HE LYS 47 1HE LYS 47 4.661 6.517 10.752 316 2HE LYS 47 2HE LYS 47 3.626 5.777 11.957 317 1HZ LYS 47 1HZ LYS 47 5.179 6.050 13.483 318 2HZ LYS 47 2HZ LYS 47 6.369 5.424 12.557 319 3HZ LYS 47 3HZ LYS 47 5.982 7.006 12.430 320 H ILE 48 H ILE 48 1.589 4.512 10.600 321 HA ILE 48 HA ILE 48 1.829 5.075 7.791 322 HB ILE 48 HB ILE 48 -0.825 4.713 9.126 323 1HG1 ILE 48 1HG1 ILE 48 0.409 3.929 6.482 324 2HG1 ILE 48 2HG1 ILE 48 -0.152 2.884 7.771 325 1HG2 ILE 48 1HG2 ILE 48 -1.561 6.685 8.405 326 2HG2 ILE 48 2HG2 ILE 48 -0.064 6.998 7.495 327 3HG2 ILE 48 3HG2 ILE 48 -1.376 6.052 6.752 328 1HD1 ILE 48 1HD1 ILE 48 -2.478 4.159 7.315 329 2HD1 ILE 48 2HD1 ILE 48 -1.742 4.386 5.710 330 3HD1 ILE 48 3HD1 ILE 48 -1.983 2.745 6.354 331 H VAL 49 H VAL 49 2.919 6.961 7.829 332 HA VAL 49 HA VAL 49 2.878 8.614 10.137 333 HB VAL 49 HB VAL 49 4.887 8.471 8.937 334 1HG1 VAL 49 1HG1 VAL 49 4.365 7.659 6.817 335 2HG1 VAL 49 2HG1 VAL 49 3.189 8.956 6.496 336 3HG1 VAL 49 3HG1 VAL 49 4.933 9.310 6.472 337 1HG2 VAL 49 1HG2 VAL 49 5.251 10.631 9.348 338 2HG2 VAL 49 2HG2 VAL 49 4.600 11.022 7.738 339 3HG2 VAL 49 3HG2 VAL 49 3.520 10.996 9.153 340 H ASP 50 H ASP 50 1.809 10.551 10.519 341 HA ASP 50 HA ASP 50 -0.597 10.890 9.157 342 1HB ASP 50 1HB ASP 50 0.890 12.181 11.369 343 2HB ASP 50 2HB ASP 50 -0.094 13.315 10.466 344 H SER 51 H SER 51 1.737 13.595 9.727 345 HA SER 51 HA SER 51 1.052 15.076 7.597 346 1HB SER 51 1HB SER 51 3.095 15.093 9.559 347 2HB SER 51 2HB SER 51 3.942 15.235 8.031 348 HG SER 51 HG SER 51 3.437 17.331 8.496 349 H GLY 52 H GLY 52 2.906 12.092 7.645 350 1HA GLY 52 1HA GLY 52 4.495 12.255 5.411 351 2HA GLY 52 2HA GLY 52 3.701 10.801 5.983 352 HA PRO 53 HA PRO 53 1.814 12.357 2.005 353 1HB PRO 53 1HB PRO 53 3.295 11.104 0.080 354 2HB PRO 53 2HB PRO 53 3.547 12.774 0.547 355 1HG PRO 53 1HG PRO 53 5.176 10.398 1.210 356 2HG PRO 53 2HG PRO 53 5.619 12.092 1.295 357 1HD PRO 53 1HD PRO 53 4.929 10.386 3.495 358 2HD PRO 53 2HD PRO 53 5.259 12.105 3.566 359 H ALA 54 H ALA 54 2.653 9.460 3.461 360 HA ALA 54 HA ALA 54 1.170 7.769 1.715 361 1HB ALA 54 1HB ALA 54 2.730 6.547 2.874 362 2HB ALA 54 2HB ALA 54 2.616 7.572 4.324 363 3HB ALA 54 3HB ALA 54 1.365 6.349 3.998 364 H ALA 55 H ALA 55 0.531 9.631 4.718 365 HA ALA 55 HA ALA 55 -2.186 8.581 4.777 366 1HB ALA 55 1HB ALA 55 -2.295 9.723 6.952 367 2HB ALA 55 2HB ALA 55 -0.852 8.684 6.865 368 3HB ALA 55 3HB ALA 55 -0.694 10.446 6.667 369 H LYS 56 H LYS 56 -0.313 11.631 4.329 370 HA LYS 56 HA LYS 56 -2.321 13.448 4.254 371 1HB LYS 56 1HB LYS 56 0.359 13.188 3.029 372 2HB LYS 56 2HB LYS 56 -0.706 14.328 2.232 373 1HG LYS 56 1HG LYS 56 -0.320 14.330 5.254 374 2HG LYS 56 2HG LYS 56 0.736 15.232 4.185 375 1HD LYS 56 1HD LYS 56 -1.724 16.024 3.235 376 2HD LYS 56 2HD LYS 56 -2.112 15.750 4.922 377 1HE LYS 56 1HE LYS 56 -1.031 17.646 5.558 378 2HE LYS 56 2HE LYS 56 0.430 17.169 4.717 379 1HZ LYS 56 1HZ LYS 56 -0.195 19.001 3.562 380 2HZ LYS 56 2HZ LYS 56 -0.943 17.865 2.658 381 3HZ LYS 56 3HZ LYS 56 -1.799 18.747 3.733 382 H GLU 57 H GLU 57 -0.979 12.361 1.090 383 HA GLU 57 HA GLU 57 -3.718 12.397 0.124 384 1HB GLU 57 1HB GLU 57 -1.028 12.669 -1.267 385 2HB GLU 57 2HB GLU 57 -2.510 12.413 -2.167 386 1HG GLU 57 1HG GLU 57 -2.385 14.628 -0.101 387 2HG GLU 57 2HG GLU 57 -1.663 14.880 -1.678 388 H GLY 58 H GLY 58 -0.838 10.358 0.571 389 1HA GLY 58 1HA GLY 58 -0.907 8.272 -0.973 390 2HA GLY 58 2HA GLY 58 -0.892 8.058 0.766 391 H GLY 59 H GLY 59 -3.228 8.274 1.830 392 1HA GLY 59 1HA GLY 59 -5.538 7.892 1.603 393 2HA GLY 59 2HA GLY 59 -5.266 7.107 0.060 394 H LEU 60 H LEU 60 -2.771 6.068 2.065 395 HA LEU 60 HA LEU 60 -3.893 3.476 2.289 396 1HB LEU 60 1HB LEU 60 -1.424 4.333 2.019 397 2HB LEU 60 2HB LEU 60 -1.449 4.356 3.771 398 HG LEU 60 HG LEU 60 -1.753 2.022 3.927 399 1HD1 LEU 60 1HD1 LEU 60 -2.633 2.190 1.058 400 2HD1 LEU 60 2HD1 LEU 60 -2.023 0.659 1.730 401 3HD1 LEU 60 3HD1 LEU 60 -3.445 1.445 2.457 402 1HD2 LEU 60 1HD2 LEU 60 0.028 1.901 1.560 403 2HD2 LEU 60 2HD2 LEU 60 0.479 3.062 2.831 404 3HD2 LEU 60 3HD2 LEU 60 0.282 1.338 3.230 405 H GLN 61 H GLN 61 -3.792 2.282 4.508 406 HA GLN 61 HA GLN 61 -4.423 3.986 6.717 407 1HB GLN 61 1HB GLN 61 -6.569 3.388 5.186 408 2HB GLN 61 2HB GLN 61 -6.535 1.926 6.151 409 1HG GLN 61 1HG GLN 61 -6.267 3.623 8.189 410 2HG GLN 61 2HG GLN 61 -6.934 4.785 7.060 411 1HE2 GLN 61 1HE2 GLN 61 -7.457 1.410 8.079 412 2HE2 GLN 61 2HE2 GLN 61 -9.185 1.478 8.186 413 H ILE 62 H ILE 62 -3.651 3.053 8.583 414 HA ILE 62 HA ILE 62 -2.084 0.860 8.595 415 HB ILE 62 HB ILE 62 -3.772 2.060 10.783 416 1HG1 ILE 62 1HG1 ILE 62 -1.026 2.517 9.693 417 2HG1 ILE 62 2HG1 ILE 62 -2.236 3.674 10.210 418 1HG2 ILE 62 1HG2 ILE 62 -3.295 -0.278 11.353 419 2HG2 ILE 62 2HG2 ILE 62 -1.560 0.008 11.076 420 3HG2 ILE 62 3HG2 ILE 62 -2.401 0.853 12.397 421 1HD1 ILE 62 1HD1 ILE 62 -1.875 2.854 12.603 422 2HD1 ILE 62 2HD1 ILE 62 -0.492 1.918 11.988 423 3HD1 ILE 62 3HD1 ILE 62 -0.485 3.694 11.874 424 H HIS 63 H HIS 63 -2.311 -1.365 9.271 425 HA HIS 63 HA HIS 63 -3.254 -3.344 9.226 426 1HB HIS 63 1HB HIS 63 -5.846 -1.978 9.990 427 2HB HIS 63 2HB HIS 63 -5.436 -3.666 10.222 428 HD1 HIS 63 HD1 HIS 63 -2.691 -3.525 11.541 429 HD2 HIS 63 HD2 HIS 63 -5.835 -0.922 12.507 430 HE1 HIS 63 HE1 HIS 63 -2.197 -2.646 13.885 431 H ASP 64 H ASP 64 -2.850 -2.298 6.759 432 HA ASP 64 HA ASP 64 -5.237 -3.209 5.369 433 1HB ASP 64 1HB ASP 64 -3.593 -0.707 4.912 434 2HB ASP 64 2HB ASP 64 -4.356 -1.478 3.536 435 H ARG 65 H ARG 65 -4.695 -4.858 3.916 436 HA ARG 65 HA ARG 65 -1.912 -5.423 3.599 437 1HB ARG 65 1HB ARG 65 -3.753 -7.171 4.034 438 2HB ARG 65 2HB ARG 65 -4.293 -6.910 2.388 439 1HG ARG 65 1HG ARG 65 -1.805 -7.398 1.712 440 2HG ARG 65 2HG ARG 65 -1.637 -8.049 3.330 441 1HD ARG 65 1HD ARG 65 -3.522 -9.631 2.904 442 2HD ARG 65 2HD ARG 65 -3.731 -8.964 1.297 443 HE ARG 65 HE ARG 65 -1.040 -9.698 1.385 444 1HH1 ARG 65 1HH1 ARG 65 -4.100 -11.364 1.879 445 2HH1 ARG 65 2HH1 ARG 65 -3.497 -12.898 1.346 446 1HH2 ARG 65 1HH2 ARG 65 -0.244 -11.721 0.681 447 2HH2 ARG 65 2HH2 ARG 65 -1.289 -13.102 0.660 448 H ILE 66 H ILE 66 -0.698 -4.911 1.787 449 HA ILE 66 HA ILE 66 -1.973 -3.429 -0.302 450 HB ILE 66 HB ILE 66 0.883 -4.357 -0.276 451 1HG1 ILE 66 1HG1 ILE 66 -0.436 -2.355 1.530 452 2HG1 ILE 66 2HG1 ILE 66 0.785 -3.556 1.900 453 1HG2 ILE 66 1HG2 ILE 66 -0.479 -1.854 -1.308 454 2HG2 ILE 66 2HG2 ILE 66 1.263 -2.207 -1.398 455 3HG2 ILE 66 3HG2 ILE 66 0.102 -3.224 -2.285 456 1HD1 ILE 66 1HD1 ILE 66 2.349 -2.210 0.313 457 2HD1 ILE 66 2HD1 ILE 66 1.134 -0.915 0.440 458 3HD1 ILE 66 3HD1 ILE 66 1.973 -1.495 1.899 459 H ILE 67 H ILE 67 -2.567 -4.107 -2.324 460 HA ILE 67 HA ILE 67 -2.248 -6.972 -2.810 461 HB ILE 67 HB ILE 67 -4.024 -5.199 -4.426 462 1HG1 ILE 67 1HG1 ILE 67 -4.546 -4.443 -2.207 463 2HG1 ILE 67 2HG1 ILE 67 -5.836 -5.492 -2.761 464 1HG2 ILE 67 1HG2 ILE 67 -3.974 -7.408 -5.200 465 2HG2 ILE 67 2HG2 ILE 67 -3.999 -8.086 -3.555 466 3HG2 ILE 67 3HG2 ILE 67 -5.458 -7.314 -4.221 467 1HD1 ILE 67 1HD1 ILE 67 -5.443 -6.276 -0.573 468 2HD1 ILE 67 2HD1 ILE 67 -4.487 -7.407 -1.560 469 3HD1 ILE 67 3HD1 ILE 67 -3.681 -6.066 -0.711 470 H GLU 68 H GLU 68 -2.070 -3.787 -4.553 471 HA GLU 68 HA GLU 68 0.166 -4.917 -6.015 472 1HB GLU 68 1HB GLU 68 -2.393 -4.566 -7.156 473 2HB GLU 68 2HB GLU 68 -1.468 -3.192 -7.729 474 1HG GLU 68 1HG GLU 68 -0.569 -4.577 -9.289 475 2HG GLU 68 2HG GLU 68 0.337 -5.325 -7.988 476 H VAL 69 H VAL 69 1.597 -3.236 -6.974 477 HA VAL 69 HA VAL 69 1.108 -0.545 -5.966 478 HB VAL 69 HB VAL 69 2.642 -2.254 -4.520 479 1HG1 VAL 69 1HG1 VAL 69 4.520 -0.800 -6.411 480 2HG1 VAL 69 2HG1 VAL 69 5.017 -1.603 -4.903 481 3HG1 VAL 69 3HG1 VAL 69 4.324 -2.560 -6.234 482 1HG2 VAL 69 1HG2 VAL 69 2.159 0.584 -4.670 483 2HG2 VAL 69 2HG2 VAL 69 2.502 -0.429 -3.247 484 3HG2 VAL 69 3HG2 VAL 69 3.842 0.285 -4.175 485 H ASN 70 H ASN 70 1.233 0.753 -7.716 486 HA ASN 70 HA ASN 70 1.809 1.558 -9.645 487 1HB ASN 70 1HB ASN 70 4.157 1.363 -8.322 488 2HB ASN 70 2HB ASN 70 4.526 0.223 -9.601 489 1HD2 ASN 70 1HD2 ASN 70 4.237 3.480 -8.689 490 2HD2 ASN 70 2HD2 ASN 70 4.545 4.238 -10.215 491 H GLY 71 H GLY 71 0.920 -1.416 -9.299 492 1HA GLY 71 1HA GLY 71 0.137 -2.714 -11.104 493 2HA GLY 71 2HA GLY 71 1.522 -2.229 -12.063 494 H ARG 72 H ARG 72 2.851 -2.696 -9.064 495 HA ARG 72 HA ARG 72 3.692 -5.336 -9.836 496 1HB ARG 72 1HB ARG 72 4.928 -3.090 -8.557 497 2HB ARG 72 2HB ARG 72 4.902 -4.370 -7.361 498 1HG ARG 72 1HG ARG 72 5.679 -5.723 -9.682 499 2HG ARG 72 2HG ARG 72 6.468 -4.169 -9.866 500 1HD ARG 72 1HD ARG 72 7.352 -4.436 -7.473 501 2HD ARG 72 2HD ARG 72 6.719 -6.070 -7.488 502 HE ARG 72 HE ARG 72 8.319 -5.688 -9.836 503 1HH1 ARG 72 1HH1 ARG 72 8.662 -6.001 -6.348 504 2HH1 ARG 72 2HH1 ARG 72 10.264 -6.654 -6.436 505 1HH2 ARG 72 1HH2 ARG 72 10.433 -6.550 -9.952 506 2HH2 ARG 72 2HH2 ARG 72 11.278 -6.968 -8.499 507 H ASP 73 H ASP 73 3.148 -7.214 -8.698 508 HA ASP 73 HA ASP 73 1.091 -6.928 -6.758 509 1HB ASP 73 1HB ASP 73 2.475 -9.208 -8.172 510 2HB ASP 73 2HB ASP 73 1.587 -9.575 -6.707 511 H LEU 74 H LEU 74 1.371 -7.073 -4.504 512 HA LEU 74 HA LEU 74 3.999 -7.996 -3.574 513 1HB LEU 74 1HB LEU 74 2.469 -5.822 -2.187 514 2HB LEU 74 2HB LEU 74 4.160 -6.258 -2.035 515 HG LEU 74 HG LEU 74 2.864 -4.890 -4.408 516 1HD1 LEU 74 1HD1 LEU 74 3.052 -3.223 -2.828 517 2HD1 LEU 74 2HD1 LEU 74 4.511 -3.929 -2.092 518 3HD1 LEU 74 3HD1 LEU 74 4.619 -3.100 -3.664 519 1HD2 LEU 74 1HD2 LEU 74 4.515 -5.854 -5.582 520 2HD2 LEU 74 2HD2 LEU 74 5.551 -4.638 -4.797 521 3HD2 LEU 74 3HD2 LEU 74 5.444 -6.284 -4.126 522 H SER 75 H SER 75 0.835 -8.790 -3.847 523 HA SER 75 HA SER 75 0.021 -9.287 -1.261 524 1HB SER 75 1HB SER 75 -1.607 -9.427 -2.997 525 2HB SER 75 2HB SER 75 -0.641 -10.544 -3.940 526 HG SER 75 HG SER 75 -1.160 -12.232 -2.573 527 H ARG 76 H ARG 76 2.049 -11.172 -3.554 528 HA ARG 76 HA ARG 76 2.430 -13.107 -1.414 529 1HB ARG 76 1HB ARG 76 3.065 -14.730 -3.173 530 2HB ARG 76 2HB ARG 76 1.482 -14.062 -3.518 531 1HG ARG 76 1HG ARG 76 2.194 -13.196 -5.493 532 2HG ARG 76 2HG ARG 76 3.531 -12.372 -4.716 533 1HD ARG 76 1HD ARG 76 5.039 -13.985 -5.330 534 2HD ARG 76 2HD ARG 76 3.959 -15.294 -4.893 535 HE ARG 76 HE ARG 76 3.070 -13.918 -7.302 536 1HH1 ARG 76 1HH1 ARG 76 5.296 -16.359 -6.090 537 2HH1 ARG 76 2HH1 ARG 76 5.409 -17.191 -7.605 538 1HH2 ARG 76 1HH2 ARG 76 3.219 -15.016 -9.300 539 2HH2 ARG 76 2HH2 ARG 76 4.220 -16.422 -9.443 540 H ALA 77 H ALA 77 3.767 -10.391 -1.980 541 HA ALA 77 HA ALA 77 6.488 -11.297 -2.556 542 1HB ALA 77 1HB ALA 77 5.433 -9.357 -3.807 543 2HB ALA 77 2HB ALA 77 5.429 -8.462 -2.269 544 3HB ALA 77 3HB ALA 77 6.970 -8.980 -2.992 545 H THR 78 H THR 78 8.229 -10.140 -1.160 546 HA THR 78 HA THR 78 7.355 -10.376 1.636 547 HB THR 78 HB THR 78 9.110 -11.964 0.807 548 HG1 THR 78 HG1 THR 78 10.197 -9.791 2.444 549 1HG2 THR 78 1HG2 THR 78 10.946 -9.542 0.607 550 2HG2 THR 78 2HG2 THR 78 11.254 -11.210 0.066 551 3HG2 THR 78 3HG2 THR 78 10.120 -10.176 -0.837 552 H HIS 79 H HIS 79 8.610 -8.956 3.215 553 HA HIS 79 HA HIS 79 7.965 -6.348 2.748 554 1HB HIS 79 1HB HIS 79 8.449 -7.402 4.946 555 2HB HIS 79 2HB HIS 79 10.159 -7.391 4.561 556 HD1 HIS 79 HD1 HIS 79 11.453 -5.276 5.075 557 HD2 HIS 79 HD2 HIS 79 7.299 -4.707 5.199 558 HE1 HIS 79 HE1 HIS 79 11.080 -2.926 5.997 559 H ASP 80 H ASP 80 11.046 -8.084 2.081 560 HA ASP 80 HA ASP 80 12.563 -5.884 1.476 561 1HB ASP 80 1HB ASP 80 12.694 -8.762 1.147 562 2HB ASP 80 2HB ASP 80 13.244 -8.014 -0.339 563 H GLN 81 H GLN 81 10.591 -8.075 -0.667 564 HA GLN 81 HA GLN 81 11.120 -6.691 -3.008 565 1HB GLN 81 1HB GLN 81 8.974 -8.629 -2.121 566 2HB GLN 81 2HB GLN 81 8.835 -7.852 -3.686 567 1HG GLN 81 1HG GLN 81 11.481 -8.648 -3.734 568 2HG GLN 81 2HG GLN 81 10.770 -9.923 -2.764 569 1HE2 GLN 81 1HE2 GLN 81 10.792 -11.563 -4.164 570 2HE2 GLN 81 2HE2 GLN 81 9.940 -11.620 -5.672 571 H ALA 82 H ALA 82 8.352 -6.499 -0.675 572 HA ALA 82 HA ALA 82 6.799 -4.684 -2.022 573 1HB ALA 82 1HB ALA 82 6.161 -5.900 0.036 574 2HB ALA 82 2HB ALA 82 7.303 -4.908 0.974 575 3HB ALA 82 3HB ALA 82 5.888 -4.149 0.205 576 H VAL 83 H VAL 83 9.510 -4.053 0.308 577 HA VAL 83 HA VAL 83 9.356 -1.286 0.204 578 HB VAL 83 HB VAL 83 11.593 -3.231 0.751 579 1HG1 VAL 83 1HG1 VAL 83 12.919 -1.373 1.634 580 2HG1 VAL 83 2HG1 VAL 83 12.583 -1.138 -0.098 581 3HG1 VAL 83 3HG1 VAL 83 11.668 -0.216 1.119 582 1HG2 VAL 83 1HG2 VAL 83 11.206 -2.700 3.061 583 2HG2 VAL 83 2HG2 VAL 83 10.076 -1.394 2.630 584 3HG2 VAL 83 3HG2 VAL 83 9.635 -3.091 2.320 585 H GLU 84 H GLU 84 11.486 -3.551 -1.681 586 HA GLU 84 HA GLU 84 12.696 -1.647 -3.202 587 1HB GLU 84 1HB GLU 84 13.387 -4.010 -3.152 588 2HB GLU 84 2HB GLU 84 11.910 -4.495 -3.959 589 1HG GLU 84 1HG GLU 84 12.625 -3.755 -6.030 590 2HG GLU 84 2HG GLU 84 13.487 -2.381 -5.366 591 H ALA 85 H ALA 85 9.580 -3.388 -3.793 592 HA ALA 85 HA ALA 85 9.034 -2.437 -6.310 593 1HB ALA 85 1HB ALA 85 6.686 -2.904 -5.731 594 2HB ALA 85 2HB ALA 85 7.756 -4.179 -5.100 595 3HB ALA 85 3HB ALA 85 7.109 -2.936 -4.002 596 H PHE 86 H PHE 86 8.244 -0.946 -3.097 597 HA PHE 86 HA PHE 86 7.054 1.333 -4.244 598 1HB PHE 86 1HB PHE 86 8.251 0.491 -1.560 599 2HB PHE 86 2HB PHE 86 7.714 2.146 -1.769 600 HD1 PHE 86 HD1 PHE 86 6.750 -0.961 -0.601 601 HD2 PHE 86 HD2 PHE 86 5.247 2.291 -2.875 602 HE1 PHE 86 HE1 PHE 86 4.404 -1.652 -0.038 603 HE2 PHE 86 HE2 PHE 86 2.900 1.601 -2.311 604 HZ PHE 86 HZ PHE 86 2.507 -0.363 -0.900 605 H LYS 87 H LYS 87 10.389 0.371 -3.605 606 HA LYS 87 HA LYS 87 11.421 3.026 -3.567 607 1HB LYS 87 1HB LYS 87 12.348 0.449 -2.938 608 2HB LYS 87 2HB LYS 87 13.343 0.970 -4.283 609 1HG LYS 87 1HG LYS 87 13.336 3.279 -2.825 610 2HG LYS 87 2HG LYS 87 13.119 2.125 -1.524 611 1HD LYS 87 1HD LYS 87 15.120 0.889 -2.960 612 2HD LYS 87 2HD LYS 87 15.484 2.571 -3.290 613 1HE LYS 87 1HE LYS 87 14.907 2.500 -0.516 614 2HE LYS 87 2HE LYS 87 15.849 1.051 -0.807 615 1HZ LYS 87 1HZ LYS 87 16.754 3.654 -0.683 616 2HZ LYS 87 2HZ LYS 87 17.629 2.306 -0.973 617 3HZ LYS 87 3HZ LYS 87 16.997 3.153 -2.218 618 H THR 88 H THR 88 11.046 0.408 -6.020 619 HA THR 88 HA THR 88 12.183 2.140 -8.057 620 HB THR 88 HB THR 88 12.229 0.133 -9.365 621 HG1 THR 88 HG1 THR 88 10.213 -0.674 -7.390 622 1HG2 THR 88 1HG2 THR 88 12.225 -1.518 -6.937 623 2HG2 THR 88 2HG2 THR 88 13.582 -1.132 -8.022 624 3HG2 THR 88 3HG2 THR 88 13.164 -0.026 -6.691 625 H ALA 89 H ALA 89 9.278 2.062 -6.491 626 HA ALA 89 HA ALA 89 7.514 2.112 -8.722 627 1HB ALA 89 1HB ALA 89 7.293 2.939 -5.805 628 2HB ALA 89 2HB ALA 89 5.937 3.043 -6.954 629 3HB ALA 89 3HB ALA 89 6.662 1.463 -6.575 630 H LYS 90 H LYS 90 6.329 4.011 -9.506 631 HA LYS 90 HA LYS 90 7.790 6.513 -9.049 632 1HB LYS 90 1HB LYS 90 7.915 6.999 -11.337 633 2HB LYS 90 2HB LYS 90 8.418 5.325 -11.216 634 1HG LYS 90 1HG LYS 90 6.887 5.108 -12.942 635 2HG LYS 90 2HG LYS 90 5.799 4.860 -11.591 636 1HD LYS 90 1HD LYS 90 5.501 7.482 -11.654 637 2HD LYS 90 2HD LYS 90 6.180 7.363 -13.265 638 1HE LYS 90 1HE LYS 90 3.873 7.167 -13.695 639 2HE LYS 90 2HE LYS 90 4.376 5.488 -13.655 640 1HZ LYS 90 1HZ LYS 90 3.829 5.786 -11.142 641 2HZ LYS 90 2HZ LYS 90 2.859 6.979 -11.691 642 3HZ LYS 90 3HZ LYS 90 2.651 5.449 -12.221 643 H GLU 91 H GLU 91 6.510 8.417 -9.085 644 HA GLU 91 HA GLU 91 3.773 7.863 -8.466 645 1HB GLU 91 1HB GLU 91 5.129 10.586 -8.589 646 2HB GLU 91 2HB GLU 91 3.681 10.158 -7.700 647 1HG GLU 91 1HG GLU 91 5.139 9.928 -5.941 648 2HG GLU 91 2HG GLU 91 5.401 8.335 -6.623 649 HA PRO 92 HA PRO 92 2.050 8.881 -8.384 650 1HB PRO 92 1HB PRO 92 -0.452 8.200 -9.250 651 2HB PRO 92 2HB PRO 92 0.039 9.854 -8.943 652 1HG PRO 92 1HG PRO 92 -0.337 8.484 -11.535 653 2HG PRO 92 2HG PRO 92 -0.268 10.203 -11.202 654 1HD PRO 92 1HD PRO 92 1.813 8.591 -12.343 655 2HD PRO 92 2HD PRO 92 1.920 10.284 -11.903 656 H ILE 93 H ILE 93 2.072 7.166 -7.037 657 HA ILE 93 HA ILE 93 2.517 4.647 -8.400 658 HB ILE 93 HB ILE 93 2.724 5.443 -5.493 659 1HG1 ILE 93 1HG1 ILE 93 5.037 4.803 -7.308 660 2HG1 ILE 93 2HG1 ILE 93 4.338 6.410 -7.314 661 1HG2 ILE 93 1HG2 ILE 93 2.618 3.248 -5.099 662 2HG2 ILE 93 2HG2 ILE 93 2.784 2.834 -6.822 663 3HG2 ILE 93 3HG2 ILE 93 4.233 3.166 -5.843 664 1HD1 ILE 93 1HD1 ILE 93 4.997 6.870 -5.123 665 2HD1 ILE 93 2HD1 ILE 93 4.970 5.156 -4.646 666 3HD1 ILE 93 3HD1 ILE 93 6.312 5.783 -5.633 667 H VAL 94 H VAL 94 0.810 3.409 -8.947 668 HA VAL 94 HA VAL 94 -1.698 3.804 -7.587 669 HB VAL 94 HB VAL 94 -0.907 1.894 -9.794 670 1HG1 VAL 94 1HG1 VAL 94 -3.615 2.826 -8.789 671 2HG1 VAL 94 2HG1 VAL 94 -3.356 1.914 -10.295 672 3HG1 VAL 94 3HG1 VAL 94 -2.950 1.177 -8.726 673 1HG2 VAL 94 1HG2 VAL 94 -1.253 4.768 -9.804 674 2HG2 VAL 94 2HG2 VAL 94 -0.750 3.681 -11.121 675 3HG2 VAL 94 3HG2 VAL 94 -2.480 3.987 -10.830 676 H VAL 95 H VAL 95 -2.030 2.871 -5.636 677 HA VAL 95 HA VAL 95 -0.982 0.144 -5.301 678 HB VAL 95 HB VAL 95 -1.484 1.669 -2.858 679 1HG1 VAL 95 1HG1 VAL 95 0.481 -0.260 -3.969 680 2HG1 VAL 95 2HG1 VAL 95 1.099 0.865 -2.735 681 3HG1 VAL 95 3HG1 VAL 95 -0.285 -0.192 -2.363 682 1HG2 VAL 95 1HG2 VAL 95 0.570 3.066 -3.052 683 2HG2 VAL 95 2HG2 VAL 95 0.658 2.640 -4.778 684 3HG2 VAL 95 3HG2 VAL 95 -0.730 3.566 -4.160 685 H GLN 96 H GLN 96 -2.337 -1.328 -4.085 686 HA GLN 96 HA GLN 96 -5.051 -0.356 -3.722 687 1HB GLN 96 1HB GLN 96 -5.298 -1.441 -5.804 688 2HB GLN 96 2HB GLN 96 -4.142 -2.697 -5.407 689 1HG GLN 96 1HG GLN 96 -5.677 -3.902 -4.098 690 2HG GLN 96 2HG GLN 96 -6.634 -2.483 -3.718 691 1HE2 GLN 96 1HE2 GLN 96 -8.432 -2.136 -4.790 692 2HE2 GLN 96 2HE2 GLN 96 -8.925 -2.891 -6.269 693 H VAL 97 H VAL 97 -6.269 -1.496 -2.075 694 HA VAL 97 HA VAL 97 -4.678 -3.398 -0.515 695 HB VAL 97 HB VAL 97 -5.373 -2.306 1.534 696 1HG1 VAL 97 1HG1 VAL 97 -4.157 -0.195 -0.267 697 2HG1 VAL 97 2HG1 VAL 97 -3.886 -0.449 1.473 698 3HG1 VAL 97 3HG1 VAL 97 -3.261 -1.627 0.294 699 1HG2 VAL 97 1HG2 VAL 97 -6.304 0.140 1.173 700 2HG2 VAL 97 2HG2 VAL 97 -6.925 -0.555 -0.343 701 3HG2 VAL 97 3HG2 VAL 97 -7.402 -1.260 1.220 702 H LEU 98 H LEU 98 -6.079 -4.714 0.988 703 HA LEU 98 HA LEU 98 -8.674 -5.141 -0.311 704 1HB LEU 98 1HB LEU 98 -6.608 -6.934 0.842 705 2HB LEU 98 2HB LEU 98 -8.281 -7.396 1.084 706 HG LEU 98 HG LEU 98 -7.066 -6.806 -1.628 707 1HD1 LEU 98 1HD1 LEU 98 -5.935 -8.721 -1.246 708 2HD1 LEU 98 2HD1 LEU 98 -7.049 -9.259 0.034 709 3HD1 LEU 98 3HD1 LEU 98 -7.493 -9.468 -1.677 710 1HD2 LEU 98 1HD2 LEU 98 -9.177 -6.769 -2.316 711 2HD2 LEU 98 2HD2 LEU 98 -9.284 -8.492 -1.883 712 3HD2 LEU 98 3HD2 LEU 98 -9.776 -7.247 -0.710 713 H ARG 99 H ARG 99 -10.342 -4.244 0.768 714 HA ARG 99 HA ARG 99 -10.052 -4.083 3.653 715 1HB ARG 99 1HB ARG 99 -11.044 -2.244 1.627 716 2HB ARG 99 2HB ARG 99 -12.338 -2.587 2.758 717 1HG ARG 99 1HG ARG 99 -10.958 -0.636 3.483 718 2HG ARG 99 2HG ARG 99 -10.928 -1.933 4.662 719 1HD ARG 99 1HD ARG 99 -8.678 -2.240 4.421 720 2HD ARG 99 2HD ARG 99 -8.785 -2.257 2.672 721 HE ARG 99 HE ARG 99 -7.993 -0.072 2.718 722 1HH1 ARG 99 1HH1 ARG 99 -9.844 -0.632 5.658 723 2HH1 ARG 99 2HH1 ARG 99 -9.582 0.964 6.279 724 1HH2 ARG 99 1HH2 ARG 99 -7.647 2.034 3.537 725 2HH2 ARG 99 2HH2 ARG 99 -8.324 2.490 5.065 726 H ARG 100 H ARG 100 -11.641 -5.017 5.017 727 HA ARG 100 HA ARG 100 -13.002 -7.173 4.055 728 1HB ARG 100 1HB ARG 100 -13.632 -5.493 6.535 729 2HB ARG 100 2HB ARG 100 -14.213 -7.124 6.264 730 1HG ARG 100 1HG ARG 100 -12.325 -7.697 7.448 731 2HG ARG 100 2HG ARG 100 -11.557 -7.565 5.878 732 1HD ARG 100 1HD ARG 100 -11.758 -4.940 7.196 733 2HD ARG 100 2HD ARG 100 -10.899 -6.093 8.197 734 HE ARG 100 HE ARG 100 -9.886 -4.872 5.816 735 1HH1 ARG 100 1HH1 ARG 100 -9.973 -8.010 7.406 736 2HH1 ARG 100 2HH1 ARG 100 -8.490 -8.555 6.695 737 1HH2 ARG 100 1HH2 ARG 100 -7.930 -5.590 4.878 738 2HH2 ARG 100 2HH2 ARG 100 -7.320 -7.168 5.247 739 H THR 101 H THR 101 -15.562 -7.428 4.463 740 HA THR 101 HA THR 101 -16.859 -5.916 2.531 741 HB THR 101 HB THR 101 -17.506 -8.196 3.408 742 HG1 THR 101 HG1 THR 101 -19.793 -7.573 3.307 743 1HG2 THR 101 1HG2 THR 101 -17.419 -7.017 5.934 744 2HG2 THR 101 2HG2 THR 101 -19.160 -6.993 5.564 745 3HG2 THR 101 3HG2 THR 101 -18.269 -8.534 5.554 746 H SER 102 H SER 102 -18.003 -4.046 2.465 747 HA SER 102 HA SER 102 -17.807 -2.457 4.872 748 1HB SER 102 1HB SER 102 -17.957 -0.556 3.490 749 2HB SER 102 2HB SER 102 -17.060 -1.689 2.500 750 HG SER 102 HG SER 102 -19.436 -2.284 1.762 751 H GLY 103 H GLY 103 -19.770 -0.944 5.321 752 1HA GLY 103 1HA GLY 103 -22.344 -1.817 4.402 753 2HA GLY 103 2HA GLY 103 -21.989 -2.371 6.027 754 HA PRO 104 HA PRO 104 -23.604 1.734 6.719 755 1HB PRO 104 1HB PRO 104 -24.915 1.164 9.048 756 2HB PRO 104 2HB PRO 104 -25.667 1.041 7.471 757 1HG PRO 104 1HG PRO 104 -24.715 -1.124 9.244 758 2HG PRO 104 2HG PRO 104 -25.829 -1.220 7.894 759 1HD PRO 104 1HD PRO 104 -23.075 -2.024 7.908 760 2HD PRO 104 2HD PRO 104 -24.157 -2.011 6.529 761 H SER 105 H SER 105 -22.569 3.432 7.587 762 HA SER 105 HA SER 105 -20.762 2.653 9.739 763 1HB SER 105 1HB SER 105 -19.699 3.432 7.584 764 2HB SER 105 2HB SER 105 -20.482 4.985 7.792 765 HG SER 105 HG SER 105 -19.089 5.539 9.358 766 H SER 106 H SER 106 -20.217 4.609 11.256 767 HA SER 106 HA SER 106 -22.054 6.709 11.388 768 1HB SER 106 1HB SER 106 -22.573 4.283 13.120 769 2HB SER 106 2HB SER 106 -22.952 5.878 13.739 770 HG SER 106 HG SER 106 -24.148 6.141 11.578 771 H GLY 107 H GLY 107 -20.793 8.315 12.249 772 1HA GLY 107 1HA GLY 107 -18.995 9.257 13.259 773 2HA GLY 107 2HA GLY 107 -19.665 8.477 14.678 Start of MODEL 20 1 1H GLY 1 1H GLY 1 -19.907 -17.585 -10.758 2 1HA GLY 1 1HA GLY 1 -18.117 -17.076 -9.500 3 2HA GLY 1 2HA GLY 1 -19.137 -15.949 -8.628 4 H SER 2 H SER 2 -17.343 -18.858 -8.428 5 HA SER 2 HA SER 2 -18.520 -19.334 -5.815 6 1HB SER 2 1HB SER 2 -18.638 -21.123 -8.072 7 2HB SER 2 2HB SER 2 -17.573 -21.838 -6.878 8 HG SER 2 HG SER 2 -19.212 -22.026 -5.435 9 H SER 3 H SER 3 -16.992 -20.103 -4.214 10 HA SER 3 HA SER 3 -15.058 -20.271 -3.245 11 1HB SER 3 1HB SER 3 -14.359 -21.284 -5.996 12 2HB SER 3 2HB SER 3 -13.048 -20.988 -4.872 13 HG SER 3 HG SER 3 -15.310 -22.473 -3.947 14 H GLY 4 H GLY 4 -13.143 -18.996 -2.744 15 1HA GLY 4 1HA GLY 4 -11.490 -17.418 -3.590 16 2HA GLY 4 2HA GLY 4 -12.761 -16.673 -4.539 17 H SER 5 H SER 5 -10.958 -16.343 -1.745 18 HA SER 5 HA SER 5 -12.543 -15.774 0.296 19 1HB SER 5 1HB SER 5 -10.112 -15.494 0.372 20 2HB SER 5 2HB SER 5 -10.189 -14.127 -0.722 21 HG SER 5 HG SER 5 -11.669 -13.163 1.038 22 H SER 6 H SER 6 -13.642 -13.828 1.130 23 HA SER 6 HA SER 6 -14.676 -12.237 -1.077 24 1HB SER 6 1HB SER 6 -16.702 -12.009 0.123 25 2HB SER 6 2HB SER 6 -16.227 -13.669 0.418 26 HG SER 6 HG SER 6 -16.884 -12.595 2.383 27 H GLY 7 H GLY 7 -14.975 -9.894 -0.733 28 1HA GLY 7 1HA GLY 7 -14.400 -8.381 1.427 29 2HA GLY 7 2HA GLY 7 -12.806 -8.761 0.804 30 H LYS 8 H LYS 8 -12.516 -6.461 0.315 31 HA LYS 8 HA LYS 8 -13.652 -5.824 -2.288 32 1HB LYS 8 1HB LYS 8 -14.504 -4.579 0.158 33 2HB LYS 8 2HB LYS 8 -13.632 -3.399 -0.800 34 1HG LYS 8 1HG LYS 8 -15.613 -3.138 -1.911 35 2HG LYS 8 2HG LYS 8 -15.150 -4.601 -2.758 36 1HD LYS 8 1HD LYS 8 -16.380 -5.976 -1.074 37 2HD LYS 8 2HD LYS 8 -16.827 -4.522 -0.204 38 1HE LYS 8 1HE LYS 8 -17.954 -3.694 -2.353 39 2HE LYS 8 2HE LYS 8 -17.660 -5.278 -3.042 40 1HZ LYS 8 1HZ LYS 8 -18.918 -6.233 -1.228 41 2HZ LYS 8 2HZ LYS 8 -19.199 -4.754 -0.594 42 3HZ LYS 8 3HZ LYS 8 -19.825 -5.151 -2.049 43 H SER 9 H SER 9 -12.347 -4.270 -3.488 44 HA SER 9 HA SER 9 -9.700 -3.959 -2.306 45 1HB SER 9 1HB SER 9 -8.648 -4.510 -4.403 46 2HB SER 9 2HB SER 9 -9.795 -5.788 -4.054 47 HG SER 9 HG SER 9 -11.317 -4.297 -5.429 48 H LEU 10 H LEU 10 -9.076 -1.829 -2.224 49 HA LEU 10 HA LEU 10 -10.436 0.003 -4.078 50 1HB LEU 10 1HB LEU 10 -9.261 1.025 -1.557 51 2HB LEU 10 2HB LEU 10 -10.683 1.546 -2.438 52 HG LEU 10 HG LEU 10 -11.537 0.683 -0.453 53 1HD1 LEU 10 1HD1 LEU 10 -13.109 -0.556 -1.409 54 2HD1 LEU 10 2HD1 LEU 10 -12.081 -0.669 -2.858 55 3HD1 LEU 10 3HD1 LEU 10 -11.987 -1.924 -1.599 56 1HD2 LEU 10 1HD2 LEU 10 -10.605 -1.957 -0.142 57 2HD2 LEU 10 2HD2 LEU 10 -9.171 -0.959 -0.483 58 3HD2 LEU 10 3HD2 LEU 10 -10.246 -0.539 0.872 59 H THR 11 H THR 11 -9.149 1.835 -4.864 60 HA THR 11 HA THR 11 -6.310 1.084 -5.039 61 HB THR 11 HB THR 11 -7.626 3.012 -6.945 62 HG1 THR 11 HG1 THR 11 -7.974 0.102 -6.756 63 1HG2 THR 11 1HG2 THR 11 -6.308 1.737 -8.596 64 2HG2 THR 11 2HG2 THR 11 -5.243 2.195 -7.245 65 3HG2 THR 11 3HG2 THR 11 -5.873 0.534 -7.358 66 H LEU 12 H LEU 12 -4.682 2.536 -4.588 67 HA LEU 12 HA LEU 12 -5.509 5.210 -3.780 68 1HB LEU 12 1HB LEU 12 -3.603 4.334 -1.881 69 2HB LEU 12 2HB LEU 12 -5.246 4.885 -1.624 70 HG LEU 12 HG LEU 12 -5.762 2.340 -2.354 71 1HD1 LEU 12 1HD1 LEU 12 -2.907 2.404 -1.709 72 2HD1 LEU 12 2HD1 LEU 12 -3.827 1.223 -0.746 73 3HD1 LEU 12 3HD1 LEU 12 -3.878 1.154 -2.524 74 1HD2 LEU 12 1HD2 LEU 12 -5.104 2.279 0.439 75 2HD2 LEU 12 2HD2 LEU 12 -5.782 3.871 0.023 76 3HD2 LEU 12 3HD2 LEU 12 -6.698 2.390 -0.345 77 H VAL 13 H VAL 13 -3.938 6.789 -4.165 78 HA VAL 13 HA VAL 13 -1.660 5.800 -5.708 79 HB VAL 13 HB VAL 13 -3.480 7.557 -6.449 80 1HG1 VAL 13 1HG1 VAL 13 -3.164 9.070 -4.544 81 2HG1 VAL 13 2HG1 VAL 13 -1.459 9.300 -4.999 82 3HG1 VAL 13 3HG1 VAL 13 -2.753 9.876 -6.077 83 1HG2 VAL 13 1HG2 VAL 13 -2.086 8.084 -8.182 84 2HG2 VAL 13 2HG2 VAL 13 -0.706 8.438 -7.115 85 3HG2 VAL 13 3HG2 VAL 13 -1.145 6.750 -7.472 86 H LEU 14 H LEU 14 0.257 5.626 -4.681 87 HA LEU 14 HA LEU 14 0.634 7.266 -2.287 88 1HB LEU 14 1HB LEU 14 1.777 4.650 -3.225 89 2HB LEU 14 2HB LEU 14 2.582 5.597 -1.990 90 HG LEU 14 HG LEU 14 -0.200 4.409 -1.853 91 1HD1 LEU 14 1HD1 LEU 14 1.000 2.625 -1.215 92 2HD1 LEU 14 2HD1 LEU 14 2.463 3.588 -0.898 93 3HD1 LEU 14 3HD1 LEU 14 1.171 3.504 0.324 94 1HD2 LEU 14 1HD2 LEU 14 1.181 6.364 -0.018 95 2HD2 LEU 14 2HD2 LEU 14 -0.446 6.454 -0.734 96 3HD2 LEU 14 3HD2 LEU 14 -0.104 5.273 0.554 97 H HIS 15 H HIS 15 2.740 8.314 -1.950 98 HA HIS 15 HA HIS 15 4.235 8.718 -4.415 99 1HB HIS 15 1HB HIS 15 3.241 11.001 -2.688 100 2HB HIS 15 2HB HIS 15 4.244 11.136 -4.119 101 HD1 HIS 15 HD1 HIS 15 2.857 9.578 -6.244 102 HD2 HIS 15 HD2 HIS 15 0.725 11.771 -3.373 103 HE1 HIS 15 HE1 HIS 15 0.557 10.029 -7.252 104 H ARG 16 H ARG 16 6.440 8.819 -4.089 105 HA ARG 16 HA ARG 16 7.233 8.509 -1.328 106 1HB ARG 16 1HB ARG 16 9.396 7.688 -2.299 107 2HB ARG 16 2HB ARG 16 8.022 6.777 -2.892 108 1HG ARG 16 1HG ARG 16 8.518 7.340 -5.030 109 2HG ARG 16 2HG ARG 16 8.406 9.045 -4.641 110 1HD ARG 16 1HD ARG 16 10.776 9.006 -3.812 111 2HD ARG 16 2HD ARG 16 10.886 7.305 -4.220 112 HE ARG 16 HE ARG 16 10.005 8.692 -6.549 113 1HH1 ARG 16 1HH1 ARG 16 12.867 8.455 -4.515 114 2HH1 ARG 16 2HH1 ARG 16 13.965 8.849 -5.795 115 1HH2 ARG 16 1HH2 ARG 16 11.454 9.212 -8.238 116 2HH2 ARG 16 2HH2 ARG 16 13.156 9.282 -7.927 117 H ASP 17 H ASP 17 7.077 10.797 -0.739 118 HA ASP 17 HA ASP 17 8.328 12.778 -2.234 119 1HB ASP 17 1HB ASP 17 6.721 13.563 -0.705 120 2HB ASP 17 2HB ASP 17 7.279 12.512 0.581 121 H SER 18 H SER 18 10.531 12.062 -2.680 122 HA SER 18 HA SER 18 12.670 11.934 -2.340 123 1HB SER 18 1HB SER 18 11.817 13.836 -0.400 124 2HB SER 18 2HB SER 18 12.963 12.799 0.426 125 HG SER 18 HG SER 18 14.136 13.236 -1.887 126 H GLY 19 H GLY 19 11.985 9.532 -2.302 127 1HA GLY 19 1HA GLY 19 12.026 7.463 -1.396 128 2HA GLY 19 2HA GLY 19 13.511 8.025 -0.655 129 H SER 20 H SER 20 9.964 8.688 -0.149 130 HA SER 20 HA SER 20 10.023 7.455 2.380 131 1HB SER 20 1HB SER 20 11.123 9.906 2.563 132 2HB SER 20 2HB SER 20 9.442 10.397 2.630 133 HG SER 20 HG SER 20 10.987 9.237 4.586 134 H LEU 21 H LEU 21 8.202 6.364 1.422 135 HA LEU 21 HA LEU 21 6.065 7.717 0.231 136 1HB LEU 21 1HB LEU 21 6.384 4.987 1.458 137 2HB LEU 21 2HB LEU 21 4.860 5.523 0.778 138 HG LEU 21 HG LEU 21 6.310 4.117 -0.727 139 1HD1 LEU 21 1HD1 LEU 21 6.113 6.358 -2.466 140 2HD1 LEU 21 2HD1 LEU 21 5.001 4.980 -2.293 141 3HD1 LEU 21 3HD1 LEU 21 4.762 6.444 -1.310 142 1HD2 LEU 21 1HD2 LEU 21 7.999 6.625 -0.925 143 2HD2 LEU 21 2HD2 LEU 21 8.473 5.131 -0.083 144 3HD2 LEU 21 3HD2 LEU 21 8.207 5.115 -1.843 145 H GLY 22 H GLY 22 6.786 6.783 3.622 146 1HA GLY 22 1HA GLY 22 6.022 8.116 5.407 147 2HA GLY 22 2HA GLY 22 4.618 8.583 4.468 148 H PHE 23 H PHE 23 6.028 5.286 4.987 149 HA PHE 23 HA PHE 23 4.169 4.511 6.926 150 1HB PHE 23 1HB PHE 23 2.545 3.360 5.580 151 2HB PHE 23 2HB PHE 23 2.805 4.840 4.679 152 HD1 PHE 23 HD1 PHE 23 2.442 1.446 4.317 153 HD2 PHE 23 HD2 PHE 23 4.952 4.603 2.998 154 HE1 PHE 23 HE1 PHE 23 3.065 0.104 2.290 155 HE2 PHE 23 HE2 PHE 23 5.576 3.260 0.971 156 HZ PHE 23 HZ PHE 23 4.625 1.027 0.641 157 H ASN 24 H ASN 24 4.064 1.931 6.971 158 HA ASN 24 HA ASN 24 6.560 0.903 5.907 159 1HB ASN 24 1HB ASN 24 6.055 1.485 8.682 160 2HB ASN 24 2HB ASN 24 6.031 -0.260 8.526 161 1HD2 ASN 24 1HD2 ASN 24 7.875 2.639 7.666 162 2HD2 ASN 24 2HD2 ASN 24 9.454 1.928 7.711 163 H ILE 25 H ILE 25 6.548 -1.664 6.340 164 HA ILE 25 HA ILE 25 3.792 -2.651 6.265 165 HB ILE 25 HB ILE 25 4.876 -4.301 4.492 166 1HG1 ILE 25 1HG1 ILE 25 6.213 -1.764 3.609 167 2HG1 ILE 25 2HG1 ILE 25 7.046 -2.817 4.735 168 1HG2 ILE 25 1HG2 ILE 25 3.971 -1.622 3.476 169 2HG2 ILE 25 2HG2 ILE 25 3.581 -3.256 2.886 170 3HG2 ILE 25 3HG2 ILE 25 2.858 -2.660 4.399 171 1HD1 ILE 25 1HD1 ILE 25 6.091 -4.632 2.858 172 2HD1 ILE 25 2HD1 ILE 25 6.484 -3.210 1.861 173 3HD1 ILE 25 3HD1 ILE 25 7.736 -3.953 2.885 174 H ILE 26 H ILE 26 3.692 -5.052 6.696 175 HA ILE 26 HA ILE 26 5.987 -5.888 8.323 176 HB ILE 26 HB ILE 26 4.609 -6.633 10.054 177 1HG1 ILE 26 1HG1 ILE 26 2.183 -6.060 8.325 178 2HG1 ILE 26 2HG1 ILE 26 2.851 -7.649 8.642 179 1HG2 ILE 26 1HG2 ILE 26 3.741 -4.654 10.924 180 2HG2 ILE 26 2HG2 ILE 26 4.955 -4.096 9.749 181 3HG2 ILE 26 3HG2 ILE 26 3.226 -4.058 9.327 182 1HD1 ILE 26 1HD1 ILE 26 2.487 -7.303 11.099 183 2HD1 ILE 26 2HD1 ILE 26 1.752 -5.722 10.740 184 3HD1 ILE 26 3HD1 ILE 26 0.972 -7.216 10.168 185 H GLY 27 H GLY 27 6.010 -8.322 8.665 186 1HA GLY 27 1HA GLY 27 5.190 -10.445 7.905 187 2HA GLY 27 2HA GLY 27 4.777 -9.713 6.367 188 H GLY 28 H GLY 28 6.072 -11.232 5.175 189 1HA GLY 28 1HA GLY 28 7.942 -11.743 4.019 190 2HA GLY 28 2HA GLY 28 8.768 -10.401 4.785 191 H ARG 29 H ARG 29 9.731 -13.188 4.245 192 HA ARG 29 HA ARG 29 10.496 -13.740 6.982 193 1HB ARG 29 1HB ARG 29 8.987 -15.526 5.161 194 2HB ARG 29 2HB ARG 29 10.438 -16.282 5.789 195 1HG ARG 29 1HG ARG 29 9.521 -15.186 8.100 196 2HG ARG 29 2HG ARG 29 7.990 -15.348 7.262 197 1HD ARG 29 1HD ARG 29 8.286 -17.744 6.987 198 2HD ARG 29 2HD ARG 29 9.965 -17.663 7.483 199 HE ARG 29 HE ARG 29 9.278 -17.672 9.719 200 1HH1 ARG 29 1HH1 ARG 29 6.549 -16.779 7.686 201 2HH1 ARG 29 2HH1 ARG 29 5.405 -16.811 8.987 202 1HH2 ARG 29 1HH2 ARG 29 7.771 -17.716 11.435 203 2HH2 ARG 29 2HH2 ARG 29 6.105 -17.348 11.134 204 HA PRO 30 HA PRO 30 14.422 -14.256 5.157 205 1HB PRO 30 1HB PRO 30 15.673 -16.023 6.825 206 2HB PRO 30 2HB PRO 30 15.484 -14.322 7.199 207 1HG PRO 30 1HG PRO 30 14.020 -16.637 8.311 208 2HG PRO 30 2HG PRO 30 14.155 -15.012 8.954 209 1HD PRO 30 1HD PRO 30 11.897 -16.135 7.588 210 2HD PRO 30 2HD PRO 30 12.078 -14.477 8.127 211 H SER 31 H SER 31 15.263 -15.149 3.369 212 HA SER 31 HA SER 31 14.448 -17.928 3.016 213 1HB SER 31 1HB SER 31 14.374 -17.512 0.603 214 2HB SER 31 2HB SER 31 13.348 -16.357 1.430 215 HG SER 31 HG SER 31 15.931 -15.934 0.234 216 H VAL 32 H VAL 32 16.145 -19.352 3.063 217 HA VAL 32 HA VAL 32 18.750 -18.336 2.161 218 HB VAL 32 HB VAL 32 19.727 -19.875 3.882 219 1HG1 VAL 32 1HG1 VAL 32 19.717 -17.489 4.263 220 2HG1 VAL 32 2HG1 VAL 32 18.030 -17.542 4.827 221 3HG1 VAL 32 3HG1 VAL 32 19.314 -18.314 5.787 222 1HG2 VAL 32 1HG2 VAL 32 16.905 -19.886 5.005 223 2HG2 VAL 32 2HG2 VAL 32 17.710 -21.271 4.230 224 3HG2 VAL 32 3HG2 VAL 32 18.351 -20.606 5.752 225 H ASP 33 H ASP 33 17.513 -19.260 0.121 226 HA ASP 33 HA ASP 33 18.415 -22.013 -0.074 227 1HB ASP 33 1HB ASP 33 15.690 -21.143 -0.138 228 2HB ASP 33 2HB ASP 33 16.112 -21.525 -1.795 229 H ASN 34 H ASN 34 18.894 -22.618 -2.400 230 HA ASN 34 HA ASN 34 20.042 -20.417 -3.742 231 1HB ASN 34 1HB ASN 34 19.669 -23.331 -4.615 232 2HB ASN 34 2HB ASN 34 20.687 -22.172 -5.447 233 1HD2 ASN 34 1HD2 ASN 34 22.700 -21.832 -4.792 234 2HD2 ASN 34 2HD2 ASN 34 23.440 -22.496 -3.373 235 H HIS 35 H HIS 35 19.590 -20.081 -6.203 236 HA HIS 35 HA HIS 35 18.243 -19.652 -7.883 237 1HB HIS 35 1HB HIS 35 16.409 -21.769 -6.723 238 2HB HIS 35 2HB HIS 35 16.277 -21.070 -8.325 239 HD1 HIS 35 HD1 HIS 35 17.712 -23.899 -6.590 240 HD2 HIS 35 HD2 HIS 35 18.782 -21.599 -9.930 241 HE1 HIS 35 HE1 HIS 35 19.388 -25.296 -7.912 242 H ASP 36 H ASP 36 15.679 -20.448 -5.449 243 HA ASP 36 HA ASP 36 15.309 -17.702 -4.857 244 1HB ASP 36 1HB ASP 36 12.865 -17.747 -5.648 245 2HB ASP 36 2HB ASP 36 14.079 -17.590 -6.902 246 H GLY 37 H GLY 37 14.382 -17.620 -2.774 247 1HA GLY 37 1HA GLY 37 13.092 -20.101 -1.801 248 2HA GLY 37 2HA GLY 37 14.186 -19.128 -0.839 249 H SER 38 H SER 38 10.909 -19.556 -1.945 250 HA SER 38 HA SER 38 10.048 -17.585 -0.095 251 1HB SER 38 1HB SER 38 10.507 -16.592 -2.620 252 2HB SER 38 2HB SER 38 8.831 -17.082 -2.769 253 HG SER 38 HG SER 38 9.124 -15.813 -0.376 254 H SER 39 H SER 39 8.339 -18.573 0.914 255 HA SER 39 HA SER 39 7.004 -20.676 -0.542 256 1HB SER 39 1HB SER 39 7.914 -20.950 1.837 257 2HB SER 39 2HB SER 39 6.640 -19.874 2.375 258 HG SER 39 HG SER 39 5.552 -21.730 2.555 259 H SER 40 H SER 40 6.069 -17.915 1.651 260 HA SER 40 HA SER 40 4.325 -16.758 -0.091 261 1HB SER 40 1HB SER 40 3.168 -19.096 1.338 262 2HB SER 40 2HB SER 40 2.206 -17.636 1.452 263 HG SER 40 HG SER 40 1.488 -18.530 -0.430 264 H GLU 41 H GLU 41 4.318 -14.707 0.748 265 HA GLU 41 HA GLU 41 4.112 -14.509 3.650 266 1HB GLU 41 1HB GLU 41 5.946 -13.004 1.752 267 2HB GLU 41 2HB GLU 41 5.542 -12.358 3.330 268 1HG GLU 41 1HG GLU 41 7.256 -13.608 4.145 269 2HG GLU 41 2HG GLU 41 6.220 -15.004 3.919 270 H GLY 42 H GLY 42 3.283 -12.273 4.364 271 1HA GLY 42 1HA GLY 42 1.377 -11.232 2.353 272 2HA GLY 42 2HA GLY 42 0.953 -11.507 4.031 273 H ILE 43 H ILE 43 1.393 -9.032 2.063 274 HA ILE 43 HA ILE 43 3.174 -7.526 3.832 275 HB ILE 43 HB ILE 43 2.135 -6.834 1.082 276 1HG1 ILE 43 1HG1 ILE 43 3.522 -8.718 0.775 277 2HG1 ILE 43 2HG1 ILE 43 4.516 -7.327 0.393 278 1HG2 ILE 43 1HG2 ILE 43 3.922 -5.447 3.044 279 2HG2 ILE 43 2HG2 ILE 43 4.241 -5.274 1.302 280 3HG2 ILE 43 3HG2 ILE 43 2.665 -4.786 1.971 281 1HD1 ILE 43 1HD1 ILE 43 4.622 -9.122 2.822 282 2HD1 ILE 43 2HD1 ILE 43 5.950 -8.564 1.777 283 3HD1 ILE 43 3HD1 ILE 43 5.208 -7.446 2.948 284 H PHE 44 H PHE 44 2.298 -6.236 5.354 285 HA PHE 44 HA PHE 44 -0.320 -5.077 4.774 286 1HB PHE 44 1HB PHE 44 0.642 -6.609 7.261 287 2HB PHE 44 2HB PHE 44 -0.806 -5.621 7.275 288 HD1 PHE 44 HD1 PHE 44 -2.837 -6.618 6.797 289 HD2 PHE 44 HD2 PHE 44 0.716 -8.445 5.368 290 HE1 PHE 44 HE1 PHE 44 -4.177 -8.569 5.960 291 HE2 PHE 44 HE2 PHE 44 -0.623 -10.396 4.532 292 HZ PHE 44 HZ PHE 44 -3.054 -10.435 4.838 293 H VAL 45 H VAL 45 -0.731 -3.061 5.853 294 HA VAL 45 HA VAL 45 1.730 -1.732 6.630 295 HB VAL 45 HB VAL 45 -1.068 -0.715 6.096 296 1HG1 VAL 45 1HG1 VAL 45 0.446 1.475 5.818 297 2HG1 VAL 45 2HG1 VAL 45 -0.275 1.003 7.376 298 3HG1 VAL 45 3HG1 VAL 45 1.430 0.623 7.033 299 1HG2 VAL 45 1HG2 VAL 45 0.349 -1.733 4.180 300 2HG2 VAL 45 2HG2 VAL 45 -0.378 -0.126 3.940 301 3HG2 VAL 45 3HG2 VAL 45 1.350 -0.270 4.347 302 H SER 46 H SER 46 2.283 -1.294 8.709 303 HA SER 46 HA SER 46 0.157 -1.661 10.674 304 1HB SER 46 1HB SER 46 1.932 -3.445 10.707 305 2HB SER 46 2HB SER 46 3.136 -2.214 11.031 306 HG SER 46 HG SER 46 2.666 -2.579 13.089 307 H LYS 47 H LYS 47 2.155 0.555 9.119 308 HA LYS 47 HA LYS 47 1.744 2.480 11.243 309 1HB LYS 47 1HB LYS 47 4.148 1.230 11.241 310 2HB LYS 47 2HB LYS 47 4.490 2.526 10.112 311 1HG LYS 47 1HG LYS 47 3.066 3.819 12.159 312 2HG LYS 47 2HG LYS 47 4.043 2.652 13.027 313 1HD LYS 47 1HD LYS 47 6.083 3.485 11.809 314 2HD LYS 47 2HD LYS 47 5.093 4.681 10.997 315 1HE LYS 47 1HE LYS 47 5.570 6.054 12.752 316 2HE LYS 47 2HE LYS 47 4.421 5.099 13.668 317 1HZ LYS 47 1HZ LYS 47 6.161 4.668 14.946 318 2HZ LYS 47 2HZ LYS 47 6.651 3.622 13.791 319 3HZ LYS 47 3HZ LYS 47 7.262 5.136 13.835 320 H ILE 48 H ILE 48 1.712 4.668 10.462 321 HA ILE 48 HA ILE 48 2.186 5.102 7.660 322 HB ILE 48 HB ILE 48 -0.583 4.953 8.802 323 1HG1 ILE 48 1HG1 ILE 48 0.805 3.879 6.341 324 2HG1 ILE 48 2HG1 ILE 48 0.096 2.978 7.666 325 1HG2 ILE 48 1HG2 ILE 48 -0.729 6.121 6.230 326 2HG2 ILE 48 2HG2 ILE 48 -1.235 6.813 7.790 327 3HG2 ILE 48 3HG2 ILE 48 0.414 7.099 7.182 328 1HD1 ILE 48 1HD1 ILE 48 -1.846 2.886 6.510 329 2HD1 ILE 48 2HD1 ILE 48 -1.985 4.654 6.668 330 3HD1 ILE 48 3HD1 ILE 48 -1.176 3.948 5.248 331 H VAL 49 H VAL 49 3.293 6.976 7.651 332 HA VAL 49 HA VAL 49 3.225 8.701 9.901 333 HB VAL 49 HB VAL 49 4.927 9.859 8.832 334 1HG1 VAL 49 1HG1 VAL 49 6.482 8.212 8.142 335 2HG1 VAL 49 2HG1 VAL 49 5.375 7.382 9.262 336 3HG1 VAL 49 3HG1 VAL 49 5.202 7.153 7.505 337 1HG2 VAL 49 1HG2 VAL 49 3.836 10.530 6.802 338 2HG2 VAL 49 2HG2 VAL 49 5.354 9.713 6.359 339 3HG2 VAL 49 3HG2 VAL 49 3.803 8.855 6.200 340 H ASP 50 H ASP 50 2.467 10.902 10.000 341 HA ASP 50 HA ASP 50 -0.016 11.188 8.696 342 1HB ASP 50 1HB ASP 50 1.613 12.691 10.709 343 2HB ASP 50 2HB ASP 50 0.472 13.657 9.795 344 H SER 51 H SER 51 2.277 13.931 9.053 345 HA SER 51 HA SER 51 1.794 15.390 7.020 346 1HB SER 51 1HB SER 51 4.133 14.886 8.547 347 2HB SER 51 2HB SER 51 4.675 14.926 6.881 348 HG SER 51 HG SER 51 3.945 17.027 6.639 349 H GLY 52 H GLY 52 3.786 12.373 6.685 350 1HA GLY 52 1HA GLY 52 4.592 12.277 4.180 351 2HA GLY 52 2HA GLY 52 3.785 10.911 4.924 352 HA PRO 53 HA PRO 53 1.229 12.854 1.492 353 1HB PRO 53 1HB PRO 53 2.296 11.886 -0.830 354 2HB PRO 53 2HB PRO 53 2.624 13.497 -0.223 355 1HG PRO 53 1HG PRO 53 4.374 11.114 -0.198 356 2HG PRO 53 2HG PRO 53 4.811 12.799 0.001 357 1HD PRO 53 1HD PRO 53 4.600 10.824 2.071 358 2HD PRO 53 2HD PRO 53 4.923 12.534 2.282 359 H ALA 54 H ALA 54 2.292 9.876 2.497 360 HA ALA 54 HA ALA 54 0.493 8.351 0.862 361 1HB ALA 54 1HB ALA 54 1.216 6.529 2.510 362 2HB ALA 54 2HB ALA 54 2.512 7.280 1.550 363 3HB ALA 54 3HB ALA 54 2.274 7.755 3.249 364 H ALA 55 H ALA 55 0.480 10.011 4.003 365 HA ALA 55 HA ALA 55 -2.054 8.747 4.694 366 1HB ALA 55 1HB ALA 55 -1.665 10.188 6.807 367 2HB ALA 55 2HB ALA 55 -0.556 8.825 6.524 368 3HB ALA 55 3HB ALA 55 -0.040 10.486 6.144 369 H LYS 56 H LYS 56 -0.599 11.816 3.597 370 HA LYS 56 HA LYS 56 -2.789 13.463 4.130 371 1HB LYS 56 1HB LYS 56 -0.306 13.581 2.528 372 2HB LYS 56 2HB LYS 56 -1.602 14.610 1.952 373 1HG LYS 56 1HG LYS 56 -0.813 14.548 4.892 374 2HG LYS 56 2HG LYS 56 0.012 15.587 3.747 375 1HD LYS 56 1HD LYS 56 -2.299 16.509 3.090 376 2HD LYS 56 2HD LYS 56 -2.954 15.629 4.456 377 1HE LYS 56 1HE LYS 56 -1.222 16.848 5.924 378 2HE LYS 56 2HE LYS 56 -0.871 17.856 4.535 379 1HZ LYS 56 1HZ LYS 56 -2.926 18.158 6.319 380 2HZ LYS 56 2HZ LYS 56 -2.673 19.021 4.956 381 3HZ LYS 56 3HZ LYS 56 -3.639 17.704 4.921 382 H GLU 57 H GLU 57 -1.814 12.698 0.748 383 HA GLU 57 HA GLU 57 -4.650 12.395 0.194 384 1HB GLU 57 1HB GLU 57 -2.276 13.101 -1.576 385 2HB GLU 57 2HB GLU 57 -3.860 12.736 -2.231 386 1HG GLU 57 1HG GLU 57 -4.866 14.584 -0.920 387 2HG GLU 57 2HG GLU 57 -3.323 14.916 -0.159 388 H GLY 58 H GLY 58 -1.673 10.651 0.506 389 1HA GLY 58 1HA GLY 58 -1.517 8.693 -1.260 390 2HA GLY 58 2HA GLY 58 -1.409 8.382 0.461 391 H GLY 59 H GLY 59 -3.721 8.282 1.607 392 1HA GLY 59 1HA GLY 59 -6.022 7.708 1.302 393 2HA GLY 59 2HA GLY 59 -5.600 6.857 -0.171 394 H LEU 60 H LEU 60 -3.010 6.056 1.616 395 HA LEU 60 HA LEU 60 -3.909 3.460 2.142 396 1HB LEU 60 1HB LEU 60 -1.546 4.418 1.697 397 2HB LEU 60 2HB LEU 60 -1.501 4.714 3.424 398 HG LEU 60 HG LEU 60 -1.587 2.418 3.951 399 1HD1 LEU 60 1HD1 LEU 60 -1.813 0.723 1.970 400 2HD1 LEU 60 2HD1 LEU 60 -3.263 1.446 2.706 401 3HD1 LEU 60 3HD1 LEU 60 -2.639 2.078 1.164 402 1HD2 LEU 60 1HD2 LEU 60 0.093 2.001 1.564 403 2HD2 LEU 60 2HD2 LEU 60 0.477 3.458 2.511 404 3HD2 LEU 60 3HD2 LEU 60 0.486 1.860 3.295 405 H GLN 61 H GLN 61 -3.627 2.429 4.433 406 HA GLN 61 HA GLN 61 -4.191 4.131 6.608 407 1HB GLN 61 1HB GLN 61 -6.436 3.657 5.140 408 2HB GLN 61 2HB GLN 61 -6.476 2.246 6.178 409 1HG GLN 61 1HG GLN 61 -5.866 4.249 7.998 410 2HG GLN 61 2HG GLN 61 -6.887 5.111 6.864 411 1HE2 GLN 61 1HE2 GLN 61 -8.749 3.496 6.037 412 2HE2 GLN 61 2HE2 GLN 61 -9.712 2.827 7.312 413 H ILE 62 H ILE 62 -3.435 3.127 8.446 414 HA ILE 62 HA ILE 62 -2.001 0.871 8.430 415 HB ILE 62 HB ILE 62 -3.732 1.795 10.726 416 1HG1 ILE 62 1HG1 ILE 62 -1.319 2.966 9.446 417 2HG1 ILE 62 2HG1 ILE 62 -2.643 3.746 10.287 418 1HG2 ILE 62 1HG2 ILE 62 -2.090 0.784 12.162 419 2HG2 ILE 62 2HG2 ILE 62 -2.665 -0.436 11.000 420 3HG2 ILE 62 3HG2 ILE 62 -1.078 0.336 10.768 421 1HD1 ILE 62 1HD1 ILE 62 -1.756 2.936 12.469 422 2HD1 ILE 62 2HD1 ILE 62 -0.413 2.137 11.616 423 3HD1 ILE 62 3HD1 ILE 62 -0.549 3.911 11.597 424 H HIS 63 H HIS 63 -2.356 -1.355 9.209 425 HA HIS 63 HA HIS 63 -3.358 -3.300 9.043 426 1HB HIS 63 1HB HIS 63 -5.962 -1.920 9.719 427 2HB HIS 63 2HB HIS 63 -5.505 -3.581 10.046 428 HD1 HIS 63 HD1 HIS 63 -6.280 -1.049 12.072 429 HD2 HIS 63 HD2 HIS 63 -2.594 -2.981 11.544 430 HE1 HIS 63 HE1 HIS 63 -4.948 -0.645 14.211 431 H ASP 64 H ASP 64 -2.844 -2.276 6.605 432 HA ASP 64 HA ASP 64 -5.243 -3.029 5.144 433 1HB ASP 64 1HB ASP 64 -3.492 -0.599 4.827 434 2HB ASP 64 2HB ASP 64 -4.104 -1.338 3.361 435 H ARG 65 H ARG 65 -4.725 -4.828 3.890 436 HA ARG 65 HA ARG 65 -1.970 -5.462 3.541 437 1HB ARG 65 1HB ARG 65 -3.805 -7.157 4.083 438 2HB ARG 65 2HB ARG 65 -4.431 -6.926 2.463 439 1HG ARG 65 1HG ARG 65 -2.035 -7.519 1.632 440 2HG ARG 65 2HG ARG 65 -1.726 -8.071 3.266 441 1HD ARG 65 1HD ARG 65 -3.769 -9.585 3.070 442 2HD ARG 65 2HD ARG 65 -3.902 -9.111 1.389 443 HE ARG 65 HE ARG 65 -1.217 -10.001 1.910 444 1HH1 ARG 65 1HH1 ARG 65 -4.489 -11.247 1.554 445 2HH1 ARG 65 2HH1 ARG 65 -3.972 -12.809 1.012 446 1HH2 ARG 65 1HH2 ARG 65 -0.534 -12.061 1.195 447 2HH2 ARG 65 2HH2 ARG 65 -1.707 -13.275 0.806 448 H ILE 66 H ILE 66 -0.786 -4.746 1.798 449 HA ILE 66 HA ILE 66 -2.066 -3.464 -0.381 450 HB ILE 66 HB ILE 66 0.797 -4.346 -0.375 451 1HG1 ILE 66 1HG1 ILE 66 -0.510 -2.423 1.515 452 2HG1 ILE 66 2HG1 ILE 66 0.778 -3.576 1.804 453 1HG2 ILE 66 1HG2 ILE 66 1.135 -2.190 -1.481 454 2HG2 ILE 66 2HG2 ILE 66 -0.063 -3.184 -2.344 455 3HG2 ILE 66 3HG2 ILE 66 -0.600 -1.829 -1.322 456 1HD1 ILE 66 1HD1 ILE 66 0.953 -0.898 0.374 457 2HD1 ILE 66 2HD1 ILE 66 1.850 -1.444 1.811 458 3HD1 ILE 66 3HD1 ILE 66 2.227 -2.131 0.213 459 H ILE 67 H ILE 67 -2.539 -4.189 -2.436 460 HA ILE 67 HA ILE 67 -2.182 -7.074 -2.811 461 HB ILE 67 HB ILE 67 -4.043 -5.454 -4.476 462 1HG1 ILE 67 1HG1 ILE 67 -4.429 -4.622 -2.182 463 2HG1 ILE 67 2HG1 ILE 67 -5.799 -5.504 -2.826 464 1HG2 ILE 67 1HG2 ILE 67 -5.285 -7.777 -3.645 465 2HG2 ILE 67 2HG2 ILE 67 -4.411 -7.539 -5.177 466 3HG2 ILE 67 3HG2 ILE 67 -3.575 -8.253 -3.777 467 1HD1 ILE 67 1HD1 ILE 67 -5.269 -7.475 -1.525 468 2HD1 ILE 67 2HD1 ILE 67 -3.683 -6.811 -1.063 469 3HD1 ILE 67 3HD1 ILE 67 -5.175 -6.081 -0.422 470 H GLU 68 H GLU 68 -1.971 -3.867 -4.479 471 HA GLU 68 HA GLU 68 0.218 -4.975 -5.999 472 1HB GLU 68 1HB GLU 68 -2.344 -4.763 -7.138 473 2HB GLU 68 2HB GLU 68 -1.512 -3.334 -7.718 474 1HG GLU 68 1HG GLU 68 -0.423 -4.611 -9.239 475 2HG GLU 68 2HG GLU 68 0.380 -5.456 -7.929 476 H VAL 69 H VAL 69 1.642 -3.298 -6.906 477 HA VAL 69 HA VAL 69 1.042 -0.586 -6.020 478 HB VAL 69 HB VAL 69 2.523 -2.161 -4.422 479 1HG1 VAL 69 1HG1 VAL 69 4.259 -2.636 -6.034 480 2HG1 VAL 69 2HG1 VAL 69 4.494 -0.902 -6.357 481 3HG1 VAL 69 3HG1 VAL 69 4.925 -1.577 -4.768 482 1HG2 VAL 69 1HG2 VAL 69 3.710 0.481 -4.412 483 2HG2 VAL 69 2HG2 VAL 69 1.954 0.582 -4.681 484 3HG2 VAL 69 3HG2 VAL 69 2.588 -0.263 -3.248 485 H ASN 70 H ASN 70 1.236 0.681 -7.786 486 HA ASN 70 HA ASN 70 1.890 1.457 -9.700 487 1HB ASN 70 1HB ASN 70 4.178 1.343 -8.353 488 2HB ASN 70 2HB ASN 70 4.575 0.044 -9.461 489 1HD2 ASN 70 1HD2 ASN 70 4.271 3.407 -8.986 490 2HD2 ASN 70 2HD2 ASN 70 4.700 3.958 -10.571 491 H GLY 71 H GLY 71 0.909 -1.475 -9.344 492 1HA GLY 71 1HA GLY 71 0.153 -2.823 -11.100 493 2HA GLY 71 2HA GLY 71 1.516 -2.331 -12.085 494 H ARG 72 H ARG 72 2.799 -2.800 -9.027 495 HA ARG 72 HA ARG 72 3.675 -5.435 -9.818 496 1HB ARG 72 1HB ARG 72 5.488 -3.913 -9.300 497 2HB ARG 72 2HB ARG 72 4.719 -3.383 -7.818 498 1HG ARG 72 1HG ARG 72 5.835 -4.994 -6.683 499 2HG ARG 72 2HG ARG 72 4.965 -6.216 -7.588 500 1HD ARG 72 1HD ARG 72 6.991 -5.203 -9.345 501 2HD ARG 72 2HD ARG 72 7.764 -5.456 -7.793 502 HE ARG 72 HE ARG 72 6.201 -7.753 -8.227 503 1HH1 ARG 72 1HH1 ARG 72 8.870 -6.132 -9.850 504 2HH1 ARG 72 2HH1 ARG 72 9.508 -7.590 -10.534 505 1HH2 ARG 72 1HH2 ARG 72 7.042 -9.677 -9.129 506 2HH2 ARG 72 2HH2 ARG 72 8.461 -9.620 -10.121 507 H ASP 73 H ASP 73 2.972 -7.272 -8.745 508 HA ASP 73 HA ASP 73 1.018 -6.965 -6.745 509 1HB ASP 73 1HB ASP 73 0.712 -8.859 -8.115 510 2HB ASP 73 2HB ASP 73 2.416 -9.268 -8.107 511 H LEU 74 H LEU 74 1.288 -7.118 -4.482 512 HA LEU 74 HA LEU 74 3.952 -7.931 -3.550 513 1HB LEU 74 1HB LEU 74 2.267 -5.748 -2.328 514 2HB LEU 74 2HB LEU 74 3.895 -6.218 -1.882 515 HG LEU 74 HG LEU 74 3.032 -4.867 -4.452 516 1HD1 LEU 74 1HD1 LEU 74 4.479 -3.948 -1.978 517 2HD1 LEU 74 2HD1 LEU 74 4.717 -3.131 -3.541 518 3HD1 LEU 74 3HD1 LEU 74 3.093 -3.214 -2.818 519 1HD2 LEU 74 1HD2 LEU 74 4.754 -6.019 -5.348 520 2HD2 LEU 74 2HD2 LEU 74 5.724 -4.758 -4.551 521 3HD2 LEU 74 3HD2 LEU 74 5.510 -6.342 -3.769 522 H SER 75 H SER 75 0.781 -8.803 -3.796 523 HA SER 75 HA SER 75 0.038 -9.366 -1.204 524 1HB SER 75 1HB SER 75 -1.623 -9.510 -2.910 525 2HB SER 75 2HB SER 75 -0.656 -10.594 -3.890 526 HG SER 75 HG SER 75 -2.253 -11.843 -2.878 527 H ARG 76 H ARG 76 2.073 -11.150 -3.567 528 HA ARG 76 HA ARG 76 2.523 -13.132 -1.485 529 1HB ARG 76 1HB ARG 76 3.167 -14.694 -3.281 530 2HB ARG 76 2HB ARG 76 1.584 -14.029 -3.630 531 1HG ARG 76 1HG ARG 76 2.311 -13.054 -5.553 532 2HG ARG 76 2HG ARG 76 3.684 -12.320 -4.748 533 1HD ARG 76 1HD ARG 76 4.982 -13.782 -5.919 534 2HD ARG 76 2HD ARG 76 4.407 -15.019 -4.819 535 HE ARG 76 HE ARG 76 2.392 -14.879 -6.716 536 1HH1 ARG 76 1HH1 ARG 76 5.875 -15.348 -6.884 537 2HH1 ARG 76 2HH1 ARG 76 5.806 -16.300 -8.329 538 1HH2 ARG 76 1HH2 ARG 76 2.300 -16.136 -8.623 539 2HH2 ARG 76 2HH2 ARG 76 3.759 -16.751 -9.325 540 H ALA 77 H ALA 77 3.785 -10.371 -1.953 541 HA ALA 77 HA ALA 77 6.530 -11.199 -2.552 542 1HB ALA 77 1HB ALA 77 5.407 -8.390 -2.256 543 2HB ALA 77 2HB ALA 77 6.957 -8.875 -2.985 544 3HB ALA 77 3HB ALA 77 5.425 -9.280 -3.797 545 H THR 78 H THR 78 8.231 -9.994 -1.142 546 HA THR 78 HA THR 78 7.349 -10.267 1.648 547 HB THR 78 HB THR 78 9.148 -11.807 0.833 548 HG1 THR 78 HG1 THR 78 10.592 -11.119 2.587 549 1HG2 THR 78 1HG2 THR 78 11.034 -9.450 0.705 550 2HG2 THR 78 2HG2 THR 78 11.185 -11.053 -0.055 551 3HG2 THR 78 3HG2 THR 78 10.088 -9.837 -0.753 552 H HIS 79 H HIS 79 8.899 -8.859 3.162 553 HA HIS 79 HA HIS 79 8.077 -6.241 2.738 554 1HB HIS 79 1HB HIS 79 8.572 -7.265 4.934 555 2HB HIS 79 2HB HIS 79 10.279 -7.290 4.539 556 HD1 HIS 79 HD1 HIS 79 11.601 -5.078 4.730 557 HD2 HIS 79 HD2 HIS 79 7.495 -4.666 5.482 558 HE1 HIS 79 HE1 HIS 79 11.286 -2.749 5.723 559 H ASP 80 H ASP 80 11.119 -7.971 1.956 560 HA ASP 80 HA ASP 80 12.619 -5.732 1.364 561 1HB ASP 80 1HB ASP 80 12.809 -8.605 1.079 562 2HB ASP 80 2HB ASP 80 13.311 -7.878 -0.434 563 H GLN 81 H GLN 81 10.669 -7.980 -0.740 564 HA GLN 81 HA GLN 81 11.154 -6.622 -3.102 565 1HB GLN 81 1HB GLN 81 8.985 -8.529 -2.179 566 2HB GLN 81 2HB GLN 81 8.915 -7.819 -3.780 567 1HG GLN 81 1HG GLN 81 11.514 -8.634 -3.794 568 2HG GLN 81 2HG GLN 81 10.867 -9.809 -2.665 569 1HE2 GLN 81 1HE2 GLN 81 9.470 -11.369 -3.324 570 2HE2 GLN 81 2HE2 GLN 81 9.067 -11.691 -4.978 571 H ALA 82 H ALA 82 8.358 -6.456 -0.790 572 HA ALA 82 HA ALA 82 6.808 -4.651 -2.141 573 1HB ALA 82 1HB ALA 82 5.930 -4.077 0.120 574 2HB ALA 82 2HB ALA 82 6.109 -5.832 -0.116 575 3HB ALA 82 3HB ALA 82 7.306 -4.937 0.850 576 H VAL 83 H VAL 83 9.405 -3.941 0.304 577 HA VAL 83 HA VAL 83 9.254 -1.198 0.160 578 HB VAL 83 HB VAL 83 11.518 -3.109 0.714 579 1HG1 VAL 83 1HG1 VAL 83 12.456 -0.977 -0.128 580 2HG1 VAL 83 2HG1 VAL 83 11.548 -0.101 1.128 581 3HG1 VAL 83 3HG1 VAL 83 12.825 -1.251 1.591 582 1HG2 VAL 83 1HG2 VAL 83 10.090 -1.283 2.654 583 2HG2 VAL 83 2HG2 VAL 83 9.460 -2.895 2.238 584 3HG2 VAL 83 3HG2 VAL 83 11.064 -2.734 2.994 585 H GLU 84 H GLU 84 11.409 -3.434 -1.730 586 HA GLU 84 HA GLU 84 12.630 -1.529 -3.228 587 1HB GLU 84 1HB GLU 84 13.266 -3.920 -3.201 588 2HB GLU 84 2HB GLU 84 11.799 -4.343 -4.062 589 1HG GLU 84 1HG GLU 84 12.577 -3.530 -6.090 590 2HG GLU 84 2HG GLU 84 13.493 -2.234 -5.347 591 H ALA 85 H ALA 85 9.446 -3.136 -3.758 592 HA ALA 85 HA ALA 85 8.926 -2.157 -6.292 593 1HB ALA 85 1HB ALA 85 6.614 -2.684 -5.780 594 2HB ALA 85 2HB ALA 85 7.653 -3.913 -5.019 595 3HB ALA 85 3HB ALA 85 6.940 -2.615 -4.031 596 H PHE 86 H PHE 86 8.051 -0.757 -3.053 597 HA PHE 86 HA PHE 86 6.929 1.569 -4.144 598 1HB PHE 86 1HB PHE 86 8.111 0.662 -1.473 599 2HB PHE 86 2HB PHE 86 7.559 2.316 -1.649 600 HD1 PHE 86 HD1 PHE 86 5.114 2.639 -2.457 601 HD2 PHE 86 HD2 PHE 86 6.602 -1.002 -0.866 602 HE1 PHE 86 HE1 PHE 86 2.771 1.914 -1.924 603 HE2 PHE 86 HE2 PHE 86 4.259 -1.727 -0.333 604 HZ PHE 86 HZ PHE 86 2.371 -0.261 -0.869 605 H LYS 87 H LYS 87 10.250 0.558 -3.528 606 HA LYS 87 HA LYS 87 11.289 3.222 -3.439 607 1HB LYS 87 1HB LYS 87 12.542 1.666 -2.229 608 2HB LYS 87 2HB LYS 87 12.458 0.450 -3.488 609 1HG LYS 87 1HG LYS 87 13.964 1.737 -4.929 610 2HG LYS 87 2HG LYS 87 13.919 3.107 -3.838 611 1HD LYS 87 1HD LYS 87 14.865 0.397 -2.847 612 2HD LYS 87 2HD LYS 87 15.960 1.445 -3.726 613 1HE LYS 87 1HE LYS 87 14.487 2.127 -1.138 614 2HE LYS 87 2HE LYS 87 16.207 1.843 -1.312 615 1HZ LYS 87 1HZ LYS 87 14.648 4.100 -2.317 616 2HZ LYS 87 2HZ LYS 87 15.975 4.122 -1.365 617 3HZ LYS 87 3HZ LYS 87 16.112 3.751 -2.950 618 H THR 88 H THR 88 11.173 0.534 -5.867 619 HA THR 88 HA THR 88 12.294 2.272 -7.886 620 HB THR 88 HB THR 88 12.035 0.178 -9.270 621 HG1 THR 88 HG1 THR 88 10.113 -0.640 -8.257 622 1HG2 THR 88 1HG2 THR 88 14.006 -0.444 -8.290 623 2HG2 THR 88 2HG2 THR 88 13.559 0.376 -6.774 624 3HG2 THR 88 3HG2 THR 88 13.046 -1.305 -7.063 625 H ALA 89 H ALA 89 9.222 1.830 -6.493 626 HA ALA 89 HA ALA 89 7.597 1.965 -8.768 627 1HB ALA 89 1HB ALA 89 6.531 1.331 -6.782 628 2HB ALA 89 2HB ALA 89 7.301 2.628 -5.836 629 3HB ALA 89 3HB ALA 89 5.994 3.017 -6.980 630 H LYS 90 H LYS 90 6.416 3.816 -9.643 631 HA LYS 90 HA LYS 90 7.822 6.351 -9.172 632 1HB LYS 90 1HB LYS 90 7.320 4.878 -11.710 633 2HB LYS 90 2HB LYS 90 7.073 6.612 -11.750 634 1HG LYS 90 1HG LYS 90 9.605 5.267 -10.695 635 2HG LYS 90 2HG LYS 90 9.435 5.906 -12.318 636 1HD LYS 90 1HD LYS 90 8.633 7.864 -10.257 637 2HD LYS 90 2HD LYS 90 10.292 7.336 -10.059 638 1HE LYS 90 1HE LYS 90 9.688 7.840 -12.887 639 2HE LYS 90 2HE LYS 90 9.331 9.251 -11.911 640 1HZ LYS 90 1HZ LYS 90 11.597 8.809 -10.895 641 2HZ LYS 90 2HZ LYS 90 11.878 7.852 -12.189 642 3HZ LYS 90 3HZ LYS 90 11.556 9.439 -12.401 643 H GLU 91 H GLU 91 6.516 8.271 -9.371 644 HA GLU 91 HA GLU 91 3.791 7.697 -8.666 645 1HB GLU 91 1HB GLU 91 5.126 10.427 -8.840 646 2HB GLU 91 2HB GLU 91 3.684 10.004 -7.938 647 1HG GLU 91 1HG GLU 91 5.157 9.820 -6.183 648 2HG GLU 91 2HG GLU 91 5.416 8.214 -6.833 649 HA PRO 92 HA PRO 92 2.069 8.750 -8.583 650 1HB PRO 92 1HB PRO 92 -0.448 8.074 -9.406 651 2HB PRO 92 2HB PRO 92 0.063 9.730 -9.145 652 1HG PRO 92 1HG PRO 92 -0.353 8.299 -11.698 653 2HG PRO 92 2HG PRO 92 -0.264 10.025 -11.409 654 1HD PRO 92 1HD PRO 92 1.788 8.364 -12.530 655 2HD PRO 92 2HD PRO 92 1.918 10.066 -12.134 656 H ILE 93 H ILE 93 2.166 7.072 -7.206 657 HA ILE 93 HA ILE 93 2.556 4.518 -8.503 658 HB ILE 93 HB ILE 93 2.760 5.367 -5.611 659 1HG1 ILE 93 1HG1 ILE 93 5.078 4.727 -7.421 660 2HG1 ILE 93 2HG1 ILE 93 4.367 6.329 -7.435 661 1HG2 ILE 93 1HG2 ILE 93 4.289 3.099 -5.930 662 2HG2 ILE 93 2HG2 ILE 93 2.672 3.176 -5.190 663 3HG2 ILE 93 3HG2 ILE 93 2.844 2.742 -6.907 664 1HD1 ILE 93 1HD1 ILE 93 4.971 5.131 -4.745 665 2HD1 ILE 93 2HD1 ILE 93 6.347 5.670 -5.737 666 3HD1 ILE 93 3HD1 ILE 93 5.072 6.825 -5.280 667 H VAL 94 H VAL 94 0.824 3.309 -9.044 668 HA VAL 94 HA VAL 94 -1.671 3.732 -7.672 669 HB VAL 94 HB VAL 94 -0.912 1.780 -9.854 670 1HG1 VAL 94 1HG1 VAL 94 -2.967 1.126 -8.758 671 2HG1 VAL 94 2HG1 VAL 94 -3.604 2.784 -8.874 672 3HG1 VAL 94 3HG1 VAL 94 -3.355 1.821 -10.350 673 1HG2 VAL 94 1HG2 VAL 94 -0.461 3.840 -10.837 674 2HG2 VAL 94 2HG2 VAL 94 -2.166 3.573 -11.273 675 3HG2 VAL 94 3HG2 VAL 94 -1.751 4.671 -9.935 676 H VAL 95 H VAL 95 -1.984 2.833 -5.700 677 HA VAL 95 HA VAL 95 -0.932 0.113 -5.327 678 HB VAL 95 HB VAL 95 -1.501 1.737 -2.941 679 1HG1 VAL 95 1HG1 VAL 95 0.399 -0.344 -3.866 680 2HG1 VAL 95 2HG1 VAL 95 1.037 0.817 -2.678 681 3HG1 VAL 95 3HG1 VAL 95 -0.413 -0.143 -2.295 682 1HG2 VAL 95 1HG2 VAL 95 0.788 2.493 -4.788 683 2HG2 VAL 95 2HG2 VAL 95 -0.599 3.514 -4.339 684 3HG2 VAL 95 3HG2 VAL 95 0.596 3.044 -3.107 685 H GLN 96 H GLN 96 -2.284 -1.363 -4.113 686 HA GLN 96 HA GLN 96 -5.017 -0.427 -3.802 687 1HB GLN 96 1HB GLN 96 -5.078 -1.542 -5.934 688 2HB GLN 96 2HB GLN 96 -4.097 -2.874 -5.355 689 1HG GLN 96 1HG GLN 96 -5.897 -3.966 -4.475 690 2HG GLN 96 2HG GLN 96 -6.515 -2.513 -3.713 691 1HE2 GLN 96 1HE2 GLN 96 -6.630 -4.618 -6.429 692 2HE2 GLN 96 2HE2 GLN 96 -7.936 -3.877 -7.292 693 H VAL 97 H VAL 97 -6.162 -1.394 -2.061 694 HA VAL 97 HA VAL 97 -4.601 -3.330 -0.500 695 HB VAL 97 HB VAL 97 -5.452 -2.190 1.527 696 1HG1 VAL 97 1HG1 VAL 97 -4.025 0.029 0.975 697 2HG1 VAL 97 2HG1 VAL 97 -3.282 -1.562 1.266 698 3HG1 VAL 97 3HG1 VAL 97 -3.531 -0.987 -0.400 699 1HG2 VAL 97 1HG2 VAL 97 -5.977 0.405 0.448 700 2HG2 VAL 97 2HG2 VAL 97 -7.043 -0.764 -0.368 701 3HG2 VAL 97 3HG2 VAL 97 -7.050 -0.642 1.408 702 H LEU 98 H LEU 98 -6.064 -4.524 1.119 703 HA LEU 98 HA LEU 98 -8.656 -4.981 -0.188 704 1HB LEU 98 1HB LEU 98 -6.551 -6.803 0.817 705 2HB LEU 98 2HB LEU 98 -8.202 -7.263 1.185 706 HG LEU 98 HG LEU 98 -7.114 -6.713 -1.591 707 1HD1 LEU 98 1HD1 LEU 98 -6.501 -8.877 -0.111 708 2HD1 LEU 98 2HD1 LEU 98 -8.037 -9.424 -0.823 709 3HD1 LEU 98 3HD1 LEU 98 -6.698 -8.913 -1.879 710 1HD2 LEU 98 1HD2 LEU 98 -9.834 -7.009 -0.551 711 2HD2 LEU 98 2HD2 LEU 98 -9.259 -6.387 -2.117 712 3HD2 LEU 98 3HD2 LEU 98 -9.455 -8.140 -1.873 713 H ARG 99 H ARG 99 -10.372 -4.303 0.968 714 HA ARG 99 HA ARG 99 -10.059 -4.376 3.859 715 1HB ARG 99 1HB ARG 99 -11.009 -2.150 2.063 716 2HB ARG 99 2HB ARG 99 -11.837 -2.338 3.596 717 1HG ARG 99 1HG ARG 99 -9.572 -2.303 4.754 718 2HG ARG 99 2HG ARG 99 -8.832 -1.956 3.204 719 1HD ARG 99 1HD ARG 99 -10.891 -0.058 3.347 720 2HD ARG 99 2HD ARG 99 -10.336 -0.156 5.006 721 HE ARG 99 HE ARG 99 -7.984 -0.020 3.512 722 1HH1 ARG 99 1HH1 ARG 99 -10.863 1.981 3.818 723 2HH1 ARG 99 2HH1 ARG 99 -10.033 3.455 3.449 724 1HH2 ARG 99 1HH2 ARG 99 -6.888 1.925 3.025 725 2HH2 ARG 99 2HH2 ARG 99 -7.757 3.423 2.995 726 H ARG 100 H ARG 100 -11.880 -5.157 5.023 727 HA ARG 100 HA ARG 100 -13.491 -6.937 3.884 728 1HB ARG 100 1HB ARG 100 -14.969 -6.694 5.875 729 2HB ARG 100 2HB ARG 100 -13.280 -6.615 6.335 730 1HG ARG 100 1HG ARG 100 -14.290 -3.950 5.652 731 2HG ARG 100 2HG ARG 100 -15.291 -4.691 6.884 732 1HD ARG 100 1HD ARG 100 -13.707 -4.237 8.445 733 2HD ARG 100 2HD ARG 100 -12.569 -5.262 7.593 734 HE ARG 100 HE ARG 100 -12.433 -2.977 6.103 735 1HH1 ARG 100 1HH1 ARG 100 -12.309 -3.499 9.581 736 2HH1 ARG 100 2HH1 ARG 100 -11.306 -2.118 9.881 737 1HH2 ARG 100 1HH2 ARG 100 -11.110 -1.156 6.498 738 2HH2 ARG 100 2HH2 ARG 100 -10.620 -0.777 8.116 739 H THR 101 H THR 101 -16.057 -6.814 3.784 740 HA THR 101 HA THR 101 -16.718 -4.968 1.759 741 HB THR 101 HB THR 101 -18.997 -6.010 2.079 742 HG1 THR 101 HG1 THR 101 -19.302 -7.090 4.019 743 1HG2 THR 101 1HG2 THR 101 -16.753 -7.322 1.167 744 2HG2 THR 101 2HG2 THR 101 -17.199 -8.357 2.545 745 3HG2 THR 101 3HG2 THR 101 -18.367 -8.072 1.232 746 H SER 102 H SER 102 -18.298 -3.264 1.752 747 HA SER 102 HA SER 102 -18.628 -2.093 4.400 748 1HB SER 102 1HB SER 102 -16.892 -1.056 2.599 749 2HB SER 102 2HB SER 102 -18.352 -0.275 2.026 750 HG SER 102 HG SER 102 -18.508 0.910 3.852 751 H GLY 103 H GLY 103 -20.527 -0.559 4.526 752 1HA GLY 103 1HA GLY 103 -22.391 -0.090 2.582 753 2HA GLY 103 2HA GLY 103 -22.794 -1.687 3.181 754 HA PRO 104 HA PRO 104 -24.547 1.477 6.014 755 1HB PRO 104 1HB PRO 104 -27.206 1.141 5.481 756 2HB PRO 104 2HB PRO 104 -26.234 2.401 4.747 757 1HG PRO 104 1HG PRO 104 -27.223 -0.113 3.547 758 2HG PRO 104 2HG PRO 104 -26.631 1.328 2.744 759 1HD PRO 104 1HD PRO 104 -25.217 -1.142 3.099 760 2HD PRO 104 2HD PRO 104 -24.586 0.336 2.400 761 H SER 105 H SER 105 -25.184 1.149 8.119 762 HA SER 105 HA SER 105 -26.474 -1.332 8.668 763 1HB SER 105 1HB SER 105 -24.251 -2.229 8.626 764 2HB SER 105 2HB SER 105 -23.583 -0.843 9.464 765 HG SER 105 HG SER 105 -24.309 -1.582 11.398 766 H SER 106 H SER 106 -27.893 -0.935 10.337 767 HA SER 106 HA SER 106 -27.219 0.369 12.649 768 1HB SER 106 1HB SER 106 -27.326 2.299 10.764 769 2HB SER 106 2HB SER 106 -29.037 2.228 11.138 770 HG SER 106 HG SER 106 -27.182 2.345 13.311 771 H GLY 107 H GLY 107 -29.189 0.687 14.078 772 1HA GLY 107 1HA GLY 107 -31.742 0.448 13.781 773 2HA GLY 107 2HA GLY 107 -31.315 -1.158 13.224
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